A0A3Q0KNB6_SCHMA Loading...

Putative phospholipase DDHD1

AlphaFold DB , UniProt , Accession A0A3Q0KNB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 832 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
1M37.5Very low77.3Confident238 Ų23885 Ų85100%1.17245%0.447SS*.  0129.20-79.4172.3155.100106D3M1-D3 PolarHBondContact O-N 3.26Å
2S44.2Very low78.8Confident71 Ų7177.9 Ų77.950%0.49741%0.409SS..  trans-52.4131.4-17544.50000111.6D4 K8S2-D4 PolarHBondContact O-N 3.34Å; S2-K8 WeakPolarHBondContact OG-CE 3.23Å
3D61.9Low80.2Confident160 Ų16072.7 Ų72.786%0.85638%0.381SS*.SBendtrans-64.63.9-179.5-76.4-34.8000114.8M1 P5M1-D3 PolarHBondContact O-N 3.26Å; D3-P5 WeakPolarHBondContact O-CD 3.48Å
4D69.4Low81.4Confident101 Ų10167.5 Ų67.554%0.5435%0.354SS..  trans-79.6117.1177.8-168.5-10.6000109.9S2 V6S2-D4 PolarHBondContact O-N 3.34Å; D4-V6 PolarHBondContact O-N 3.34Å; D4-V6 WeakPolarHBondContact OD1-CB 3.45Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.39Å; D4-V6 PolarHBondContact OD1-N 2.86Å
5P81.9Confident82.4Confident32 Ų3263.2 Ų63.221%0.20833%0.331CS..  trans-67.8-15.9177.829.6-36.6000112.8D3 I132 Y135 R267D3-P5 WeakPolarHBondContact O-CD 3.48Å; P5-I132 HydrophobicContact CB-CG1 4.46Å; P5-I132 HydrophobicContact CB-CG2 4.22Å; P5-I132 HydrophobicContact CG-CG2 4.1Å; P5-Y135 HydrophobicContact CB-CD1 3.83Å; P5-Y135 HydrophobicContact CB-CE1 4.24Å; P5-R267 PolarHBondContact O-NH2 3.22Å
6V86.7Confident83.1Confident65 Ų6561.3 Ų61.339%0.39432%0.318SS..SBendtrans-75.9141.8-175-177.40000111.4D4 K8D4-V6 PolarHBondContact O-N 3.34Å; D4-V6 WeakPolarHBondContact OD1-CB 3.45Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.39Å; D4-V6 PolarHBondContact OD1-N 2.86Å; V6-K8 PolarHBondContact O-N 2.93Å
7L90.6Very high83.5Confident4 Ų462.3 Ų62.32%0.02132%0.317CS..PPolyproline II helixtrans-59.5130.7172.8-76173.9000111Q11 V12 R40 T105 R267L7-Q11 HydrophobicContact CB-CB 4.45Å; L7-Q11 HydrophobicContact CD2-CB 3.82Å; L7-V12 HydrophobicContact CB-CG2 4.2Å; L7-V12 HydrophobicContact CD1-CG2 4.44Å; L7-R40 PolarHBondContact O-NH2 3.4Å; L7-T105 HydrophobicContact CD1-CG2 4.05Å; L7-R267 HydrophobicContact CD1-CG 4.44Å; L7-R267 HydrophobicContact CD2-CG 4.19Å
8K93Very high83.3Confident107 Ų10760.6 Ų60.647%0.46531%0.309SS..PPolyproline II helixtrans-65.4156.9169.4-57.7-175.1177.1-175.50110.4S2 V6 E10 Q11S2-K8 WeakPolarHBondContact OG-CE 3.23Å; V6-K8 PolarHBondContact O-N 2.93Å; K8-E10 VanDerWaalsContact CB-OE2 3.27Å; K8-E10 WeakPolarHBondContact CB-OE2 3.45Å; K8-E10 PolarHBondContact O-N 3.16Å; K8-Q11 HydrophobicContact CB-CG 4.24Å; K8-Q11 WeakPolarHBondContact O-CB 3.44Å; K8-Q11 PolarHBondContact O-N 2.91Å
9V94.5Very high82.6Confident20 Ų2062.8 Ų62.812%0.12133%0.331CS..G310 helixtrans-55.8-39.6-179.5175.30000110.5Q11 V12 I33 E36 L37V9-Q11 PolarHBondContact O-N 3.46Å; V9-V12 PolarHBondContact O-N 2.75Å; V9-I33 HydrophobicContact CG1-CB 4.31Å; V9-I33 HydrophobicContact CG1-CG1 4.22Å; V9-I33 HydrophobicContact CG1-CG2 4.06Å; V9-E36 HydrophobicContact CB-CG 4.31Å; V9-E36 HydrophobicContact CG1-CB 3.98Å; V9-E36 HydrophobicContact CG1-CG 3.83Å; V9-E36 HydrophobicContact CG2-CG 4.28Å; V9-L37 HydrophobicContact CG1-CD2 4.41Å; V9-L37 HydrophobicContact CG1-CG 4.36Å; V9-L37 HydrophobicContact CG2-CD2 4.17Å
10E95.5Very high82Confident78 Ų7864.6 Ų64.636%0.36434%0.344SS..G310 helixtrans-67.6-18.8-179.8-55.579.6-173.300113.1K8 L272 A273K8-E10 VanDerWaalsContact CB-OE2 3.27Å; K8-E10 WeakPolarHBondContact CB-OE2 3.45Å; K8-E10 PolarHBondContact O-N 3.16Å; E10-L272 HydrophobicContact CB-CB 4.4Å; E10-L272 HydrophobicContact CB-CD2 4.47Å; E10-L272 CarbonylContact O-C 3.56Å; E10-L272 VanDerWaalsContact O-CA 3.31Å; E10-L272 WeakPolarHBondContact O-CA 3.27Å; E10-A273 WeakPolarHBondContact CB-O 3.46Å; E10-A273 WeakPolarHBondContact CG-O 3.48Å; E10-A273 PolarHBondContact O-N 3.37Å
11Q95Very high81.5Confident59 Ų5965.9 Ų65.928%0.27635%0.351SS..G310 helixtrans-91-8.5178.8-60.3178.5-75.500112.6L7 K8 V9 G268 F269 L272L7-Q11 HydrophobicContact CB-CB 4.45Å; L7-Q11 HydrophobicContact CD2-CB 3.82Å; K8-Q11 HydrophobicContact CB-CG 4.24Å; K8-Q11 WeakPolarHBondContact O-CB 3.44Å; K8-Q11 PolarHBondContact O-N 2.91Å; V9-Q11 PolarHBondContact O-N 3.46Å; Q11-G268 CarbonylContact O-C 3.55Å; Q11-G268 VanDerWaalsContact O-CA 3.24Å; Q11-G268 WeakPolarHBondContact O-CA 3.03Å; Q11-F269 PolarHBondContact O-N 3.33Å; Q11-L272 HydrophobicContact CB-CD2 4.43Å; Q11-L272 HydrophobicContact CG-CD2 3.64Å
12V95.6Very high83.5Confident0 Ų061.5 Ų61.50%033%0.326CS..  trans-93.7137.3176.7-178.30000109.1L7 V9 E36 R103 T105L7-V12 HydrophobicContact CB-CG2 4.2Å; L7-V12 HydrophobicContact CD1-CG2 4.44Å; V9-V12 PolarHBondContact O-N 2.75Å; V12-E36 HydrophobicContact CB-CG 4.18Å; V12-E36 HydrophobicContact CG1-CG 4.38Å; V12-E36 WeakPolarHBondContact CG1-OE2 3.28Å; V12-E36 HydrophobicContact CG2-CG 4.43Å; V12-R103 HydrophobicContact CG1-CG 4.04Å; V12-T105 HydrophobicContact CG1-CG2 4.48Å; V12-T105 HydrophobicContact CG2-CG2 4.39Å
13R96.6Very high85.5Confident10 Ų1064.4 Ų64.44%0.03833%0.326CS..EExtended strand (participates in β ladder)trans-122.8127.6177-174.861.558.6179.94.9109.5F15 P26 F27 N28 S32 G104 F107 F269 D271 A273R13-F15 HydrophobicContact CB-CE2 3.66Å; R13-F15 HydrophobicContact CB-CZ 4.07Å; R13-F15 HydrophobicContact CG-CD2 4.25Å; R13-F15 HydrophobicContact CG-CE1 4.4Å; R13-F15 HydrophobicContact CG-CE2 3.46Å; R13-F15 VanDerWaalsContact CG-CE2 3.46Å; R13-F15 HydrophobicContact CG-CZ 3.55Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 VanDerWaalsContact O-CE2 3.26Å; R13-F15 WeakPolarHBondContact O-CE2 3.4Å; R13-P26 HydrophobicContact CG-CB 3.79Å; R13-F27 WeakPolarHBondContact CD-O 3.39Å; R13-F27 PolarHBondContact NH1-O 3.16Å; R13-N28 PolarHBondContact NH1-O 2.69Å; R13-S32 WeakPolarHBondContact CD-OG 3.49Å; R13-S32 PolarHBondContact NH1-OG 3.04Å; R13-G104 PolarHBondContact N-O 3.01Å; R13-G104 VanDerWaalsContact O-CA 3.25Å; R13-G104 WeakPolarHBondContact O-CA 3.47Å; R13-G104 PolarHBondContact O-N 3.1Å; R13-F107 HydrophobicContact CB-CZ 4.21Å; R13-F269 HydrophobicContact CB-CB 3.65Å; R13-F269 HydrophobicContact CB-CD1 4.12Å; R13-F269 HydrophobicContact CB-CD2 3.92Å; R13-F269 HydrophobicContact CB-CG 3.63Å; R13-F269 HydrophobicContact CG-CB 4.47Å; R13-F269 HydrophobicContact CG-CD1 4.02Å; R13-F269 HydrophobicContact CG-CD2 4.08Å; R13-F269 HydrophobicContact CG-CE1 4.24Å; R13-F269 HydrophobicContact CG-CE2 4.3Å; R13-F269 HydrophobicContact CG-CG 3.93Å; R13-F269 HydrophobicContact CG-CZ 4.37Å; R13-D271 PolarHBondContact NH2-O 3.42Å; R13-A273 VanDerWaalsContact NH2-N 3.16Å
14W96.8Very high86.9Confident0 Ų057.9 Ų57.90%029%0.289CS..EExtended strand (participates in β ladder)trans-89.2149.9171.6-74.377.3000109.7F27 S32 L35 E36 Y39 I82 I101 L102 R103W14-F27 HydrophobicContact CB-CD2 3.68Å; W14-F27 HydrophobicContact CB-CE2 4.34Å; W14-F27 WeakPolarHBondContact O-CD2 3.25Å; W14-F27 PolarHBondContact O-N 2.83Å; W14-S32 PolarHBondContact N-OG 3.43Å; W14-L35 HydrophobicContact CB-CB 4.45Å; W14-L35 HydrophobicContact CB-CD1 3.58Å; W14-L35 HydrophobicContact CD2-CB 3.77Å; W14-L35 HydrophobicContact CD2-CD1 4.05Å; W14-L35 HydrophobicContact CD2-CG 4.48Å; W14-L35 HydrophobicContact CE3-CB 4.44Å; W14-L35 HydrophobicContact CE3-CD1 4.31Å; W14-L35 HydrophobicContact CG-CB 3.74Å; W14-L35 HydrophobicContact CG-CD1 3.74Å; W14-L35 HydrophobicContact CG-CG 4.4Å; W14-L35 HydrophobicContact CZ2-CB 4.45Å; W14-E36 PolarHBondContact NE1-OE2 2.92Å; W14-Y39 HydrophobicContact CH2-CD2 4.11Å; W14-Y39 HydrophobicContact CH2-CG 4.21Å; W14-Y39 HydrophobicContact CZ2-CD1 4.42Å; W14-Y39 HydrophobicContact CZ2-CD2 4.22Å; W14-Y39 AromaticContact CZ2-CG 3.85Å; W14-Y39 HydrophobicContact CZ2-CG 3.85Å; W14-I82 HydrophobicContact CH2-CG2 4.05Å; W14-I101 HydrophobicContact CE3-CD1 4.21Å; W14-I101 HydrophobicContact CE3-CG1 4.47Å; W14-I101 HydrophobicContact CZ3-CD1 4Å; W14-I101 HydrophobicContact CZ3-CG1 4.31Å; W14-L102 CarbonylContact C-O 3.56Å; W14-L102 WeakPolarHBondContact CA-O 3.24Å; W14-R103 HydrophobicContact CD2-CB 4.23Å; W14-R103 HydrophobicContact CD2-CG 4.44Å; W14-R103 HydrophobicContact CE3-CB 4.19Å; W14-R103 HydrophobicContact CH2-CB 3.93Å; W14-R103 HydrophobicContact CH2-CG 4.35Å; W14-R103 HydrophobicContact CZ2-CB 3.93Å; W14-R103 HydrophobicContact CZ2-CG 3.85Å; W14-R103 HydrophobicContact CZ3-CB 4.06Å
15F96Very high88Confident3 Ų355.5 Ų55.51%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-129.5154.5-179.6-65.1-104.1000110.6R13 W24 I25 P26 F27 I101 L102 F107 P117 F269R13-F15 HydrophobicContact CB-CE2 3.66Å; R13-F15 HydrophobicContact CB-CZ 4.07Å; R13-F15 HydrophobicContact CG-CD2 4.25Å; R13-F15 HydrophobicContact CG-CE1 4.4Å; R13-F15 HydrophobicContact CG-CE2 3.46Å; R13-F15 VanDerWaalsContact CG-CE2 3.46Å; R13-F15 HydrophobicContact CG-CZ 3.55Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 VanDerWaalsContact O-CE2 3.26Å; R13-F15 WeakPolarHBondContact O-CE2 3.4Å; F15-W24 HydrophobicContact CB-CB 4.1Å; F15-W24 HydrophobicContact CB-CD2 4.37Å; F15-W24 HydrophobicContact CB-CE3 3.77Å; F15-W24 HydrophobicContact CD1-CB 3.87Å; F15-W24 HydrophobicContact CG-CB 4.27Å; F15-I25 CarbonylContact C-O 3.53Å; F15-I25 VanDerWaalsContact CA-O 3.25Å; F15-I25 WeakPolarHBondContact CA-O 3.14Å; F15-P26 HydrophobicContact CD1-CB 3.96Å; F15-P26 HydrophobicContact CE1-CB 3.62Å; F15-P26 HydrophobicContact CE1-CG 4.18Å; F15-P26 HydrophobicContact CZ-CB 4.08Å; F15-F27 VanDerWaalsContact C-CE2 3.49Å; F15-F27 WeakPolarHBondContact O-CE2 3.3Å; F15-I101 CarbonylContact O-C 3.58Å; F15-I101 WeakPolarHBondContact O-CA 3.21Å; F15-I101 WeakPolarHBondContact O-CB 3.43Å; F15-L102 HydrophobicContact CB-CB 4.4Å; F15-L102 PolarHBondContact N-O 2.64Å; F15-L102 PolarHBondContact O-N 2.97Å; F15-F107 AromaticContact CE2-CE1 3.44Å; F15-F107 HydrophobicContact CE2-CE1 3.44Å; F15-F107 VanDerWaalsContact CE2-CE1 3.44Å; F15-F107 AromaticContact CE2-CZ 3.9Å; F15-F107 HydrophobicContact CE2-CZ 3.9Å; F15-F107 HydrophobicContact CZ-CD1 4.35Å; F15-F107 AromaticContact CZ-CE1 3.46Å; F15-F107 HydrophobicContact CZ-CE1 3.46Å; F15-F107 VanDerWaalsContact CZ-CE1 3.46Å; F15-F107 HydrophobicContact CZ-CZ 4.2Å; F15-P117 HydrophobicContact CD1-CG 4.01Å; F15-P117 HydrophobicContact CD2-CB 4.14Å; F15-P117 HydrophobicContact CD2-CG 3.96Å; F15-P117 HydrophobicContact CE1-CG 4.18Å; F15-P117 HydrophobicContact CE2-CB 4.12Å; F15-P117 HydrophobicContact CE2-CG 4.16Å; F15-P117 HydrophobicContact CG-CG 3.92Å; F15-P117 HydrophobicContact CZ-CG 4.27Å; F15-F269 HydrophobicContact CE1-CE2 4.3Å; F15-F269 AromaticContact CZ-CD2 3.99Å; F15-F269 HydrophobicContact CZ-CD2 3.99Å; F15-F269 AromaticContact CZ-CE2 3.64Å; F15-F269 HydrophobicContact CZ-CE2 3.64Å; F15-F269 HydrophobicContact CZ-CZ 4.37Å
16Y94.2Very high88.6Confident33 Ų3356.7 Ų56.713%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-123.4154.9165.864-82.7000110.3I25 F27 T99 R100Y16-I25 HydrophobicContact CD1-CB 4.4Å; Y16-I25 WeakPolarHBondContact CD1-O 3.45Å; Y16-I25 HydrophobicContact CD2-CB 4.5Å; Y16-I25 HydrophobicContact CE1-CB 3.88Å; Y16-I25 HydrophobicContact CE1-CG2 3.77Å; Y16-I25 HydrophobicContact CE2-CB 4.01Å; Y16-I25 HydrophobicContact CE2-CD1 4.08Å; Y16-I25 HydrophobicContact CE2-CG2 4.38Å; Y16-I25 PolarHBondContact N-O 2.87Å; Y16-I25 PolarHBondContact O-N 3.29Å; Y16-I25 WeakPolarHBondContact OH-CG2 3.5Å; Y16-F27 AromaticContact CD1-CD1 3.78Å; Y16-F27 HydrophobicContact CD1-CD1 3.78Å; Y16-F27 HydrophobicContact CD1-CD2 4.13Å; Y16-F27 AromaticContact CD1-CE1 3.6Å; Y16-F27 HydrophobicContact CD1-CE1 3.6Å; Y16-F27 AromaticContact CD1-CE2 3.99Å; Y16-F27 HydrophobicContact CD1-CE2 3.99Å; Y16-F27 HydrophobicContact CD1-CG 4.05Å; Y16-F27 AromaticContact CD1-CZ 3.73Å; Y16-F27 HydrophobicContact CD1-CZ 3.73Å; Y16-F27 HydrophobicContact CE1-CD1 4.2Å; Y16-F27 HydrophobicContact CE1-CE1 4.3Å; Y16-F27 HydrophobicContact CG-CE1 4.21Å; Y16-F27 HydrophobicContact CG-CE2 4.41Å; Y16-F27 HydrophobicContact CG-CZ 4.03Å; Y16-T99 HydrophobicContact CD2-CG2 4.32Å; Y16-R100 WeakPolarHBondContact CA-O 3.37Å
17R90.1Very high89Confident78 Ų7853.9 Ų53.929%0.29427%0.266SS..EExtended strand (participates in β ladder)trans-89.7125.4-178.1-160.1172.5-166.5176.79.4111.5S19 K22 W24 T99 R100R17-S19 PolarHBondContact O-N 3.1Å; R17-K22 PolarHBondContact NE-O 3.31Å; R17-K22 VanDerWaalsContact NE-O 3.08Å; R17-W24 HydrophobicContact CB-CE3 4.09Å; R17-W24 HydrophobicContact CB-CH2 4.23Å; R17-W24 HydrophobicContact CB-CZ3 3.87Å; R17-T99 WeakPolarHBondContact O-CG2 3.39Å; R17-R100 HydrophobicContact CB-CB 4.44Å; R17-R100 PolarHBondContact N-O 3.36Å
18D80.2Confident89.2Confident32 Ų3255.6 Ų55.617%0.17128%0.275CS..  trans-67.2130.3172.3-173.9-13.4000110.5T20 N21 K22 R23 I25D18-T20 VanDerWaalsContact CG-OG1 3.26Å; D18-T20 PolarHBondContact O-N 2.76Å; D18-T20 PolarHBondContact OD1-N 3.43Å; D18-T20 PolarHBondContact OD1-OG1 3.22Å; D18-T20 PolarHBondContact OD2-OG1 3.24Å; D18-T20 VanDerWaalsContact OD2-OG1 3.11Å; D18-N21 VanDerWaalsContact CB-OD1 3.22Å; D18-N21 WeakPolarHBondContact CB-OD1 3.43Å; D18-N21 PolarHBondContact OD2-ND2 3.27Å; D18-N21 PolarHBondContact OD2-OD1 2.92Å; D18-K22 VanDerWaalsContact O-CA 3.29Å; D18-K22 WeakPolarHBondContact O-CA 3.17Å; D18-K22 PolarHBondContact O-N 2.66Å; D18-K22 VanDerWaalsContact O-N 3.14Å; D18-R23 PolarHBondContact N-O 2.9Å; D18-I25 HydrophobicContact CB-CD1 3.75Å; D18-I25 HydrophobicContact CB-CG1 4.3Å
19S70.6Confident89.4Confident103 Ų10350.5 Ų50.572%0.7225%0.253SS*.THydrogen-bonded Turntrans-64.1-25.5177.767.30000113.7R17R17-S19 PolarHBondContact O-N 3.1Å
20T70.5Confident89.5Confident98 Ų9853.2 Ų53.260%0.60126%0.261SS*.THydrogen-bonded Turntrans-91.6-53.5-171.563.20000112.7D18D18-T20 VanDerWaalsContact CG-OG1 3.26Å; D18-T20 PolarHBondContact O-N 2.76Å; D18-T20 PolarHBondContact OD1-N 3.43Å; D18-T20 PolarHBondContact OD1-OG1 3.22Å; D18-T20 PolarHBondContact OD2-OG1 3.24Å; D18-T20 VanDerWaalsContact OD2-OG1 3.11Å
21N71.3Confident89.6Confident92 Ų9249.8 Ų49.849%0.49225%0.246SC..THydrogen-bonded Turntrans-104.2-1.4-174.164.332.6000113.5D18 R23D18-N21 VanDerWaalsContact CB-OD1 3.22Å; D18-N21 WeakPolarHBondContact CB-OD1 3.43Å; D18-N21 PolarHBondContact OD2-ND2 3.27Å; D18-N21 PolarHBondContact OD2-OD1 2.92Å; N21-R23 PolarHBondContact O-N 3.39Å; N21-R23 VanDerWaalsContact O-N 3.12Å; N21-R23 WeakPolarHBondContact OD1-CB 2.92Å; N21-R23 PolarHBondContact OD1-N 3.15Å
22K78.6Confident89.7Confident146 Ų14647 Ų4764%0.63523%0.233SC*.  trans60.711.8-179.3-56.9-179.9179.9176.50115.2R17 D18R17-K22 PolarHBondContact NE-O 3.31Å; R17-K22 VanDerWaalsContact NE-O 3.08Å; D18-K22 VanDerWaalsContact O-CA 3.29Å; D18-K22 WeakPolarHBondContact O-CA 3.17Å; D18-K22 PolarHBondContact O-N 2.66Å; D18-K22 VanDerWaalsContact O-N 3.14Å
23R86.5Confident89.8Confident132 Ų13247.2 Ų47.250%0.49823%0.234SC..  trans-77.8151.2177.6-166.8-177.9178.7-171.4-0.8110.7D18 N21D18-R23 PolarHBondContact N-O 2.9Å; N21-R23 PolarHBondContact O-N 3.39Å; N21-R23 VanDerWaalsContact O-N 3.12Å; N21-R23 WeakPolarHBondContact OD1-CB 2.92Å; N21-R23 PolarHBondContact OD1-N 3.15Å
24W91Very high89.7Confident23 Ų2349 Ų499%0.08724%0.244CC..EExtended strand (participates in β ladder)trans-78.5126.1167.1-67.2110.1000110.9F15 R17 R100 L102 P117 D119F15-W24 HydrophobicContact CB-CB 4.1Å; F15-W24 HydrophobicContact CB-CD2 4.37Å; F15-W24 HydrophobicContact CB-CE3 3.77Å; F15-W24 HydrophobicContact CD1-CB 3.87Å; F15-W24 HydrophobicContact CG-CB 4.27Å; R17-W24 HydrophobicContact CB-CE3 4.09Å; R17-W24 HydrophobicContact CB-CH2 4.23Å; R17-W24 HydrophobicContact CB-CZ3 3.87Å; W24-R100 HydrophobicContact CH2-CB 4.04Å; W24-R100 HydrophobicContact CZ3-CB 4.47Å; W24-R100 WeakPolarHBondContact CZ3-O 3.5Å; W24-L102 HydrophobicContact CD2-CB 4.28Å; W24-L102 HydrophobicContact CD2-CD2 3.89Å; W24-L102 HydrophobicContact CE3-CB 3.84Å; W24-L102 HydrophobicContact CE3-CD2 4.29Å; W24-L102 HydrophobicContact CG-CD2 4.3Å; W24-L102 HydrophobicContact CH2-CB 3.52Å; W24-L102 HydrophobicContact CH2-CD2 4.34Å; W24-L102 HydrophobicContact CH2-CG 4.38Å; W24-L102 HydrophobicContact CZ2-CB 3.97Å; W24-L102 HydrophobicContact CZ2-CD1 4.45Å; W24-L102 HydrophobicContact CZ2-CD2 3.93Å; W24-L102 HydrophobicContact CZ2-CG 4.37Å; W24-L102 HydrophobicContact CZ3-CB 3.44Å; W24-L102 VanDerWaalsContact CZ3-CB 3.44Å; W24-L102 HydrophobicContact CZ3-CD2 4.5Å; W24-P117 HydrophobicContact CB-CG 3.88Å; W24-P117 HydrophobicContact CG-CG 3.92Å; W24-D119 VanDerWaalsContact CD1-OD1 3.29Å; W24-D119 PolarHBondContact NE1-OD1 3.39Å
25I92.3Very high89.7Confident51 Ų5149 Ų4926%0.26224%0.244SC..EExtended strand (participates in β ladder)trans-110.3127.3175.1-57.8178.2000107.8F15 Y16 D18F15-I25 CarbonylContact C-O 3.53Å; F15-I25 VanDerWaalsContact CA-O 3.25Å; F15-I25 WeakPolarHBondContact CA-O 3.14Å; Y16-I25 HydrophobicContact CD1-CB 4.4Å; Y16-I25 WeakPolarHBondContact CD1-O 3.45Å; Y16-I25 HydrophobicContact CD2-CB 4.5Å; Y16-I25 HydrophobicContact CE1-CB 3.88Å; Y16-I25 HydrophobicContact CE1-CG2 3.77Å; Y16-I25 HydrophobicContact CE2-CB 4.01Å; Y16-I25 HydrophobicContact CE2-CD1 4.08Å; Y16-I25 HydrophobicContact CE2-CG2 4.38Å; Y16-I25 PolarHBondContact N-O 2.87Å; Y16-I25 PolarHBondContact O-N 3.29Å; Y16-I25 WeakPolarHBondContact OH-CG2 3.5Å; D18-I25 HydrophobicContact CB-CD1 3.75Å; D18-I25 HydrophobicContact CB-CG1 4.3Å
26P94.6Very high89.7Confident57 Ų5748.8 Ų48.837%0.3724%0.243SC..EExtended strand (participates in β ladder)trans-66.3139.5177.526-32.4000110.7R13 F15 F269R13-P26 HydrophobicContact CG-CB 3.79Å; F15-P26 HydrophobicContact CD1-CB 3.96Å; F15-P26 HydrophobicContact CE1-CB 3.62Å; F15-P26 HydrophobicContact CE1-CG 4.18Å; F15-P26 HydrophobicContact CZ-CB 4.08Å; P26-F269 HydrophobicContact CB-CZ 4.5Å
27F96.2Very high89.7Confident5 Ų551.1 Ų51.12%0.02226%0.257CS..PPolyproline II helixtrans-67.8155.9161.4-71.3-77.8000110R13 W14 F15 Y16 D31 S32 L35 V73 R74 I101R13-F27 WeakPolarHBondContact CD-O 3.39Å; R13-F27 PolarHBondContact NH1-O 3.16Å; W14-F27 HydrophobicContact CB-CD2 3.68Å; W14-F27 HydrophobicContact CB-CE2 4.34Å; W14-F27 WeakPolarHBondContact O-CD2 3.25Å; W14-F27 PolarHBondContact O-N 2.83Å; F15-F27 VanDerWaalsContact C-CE2 3.49Å; F15-F27 WeakPolarHBondContact O-CE2 3.3Å; Y16-F27 AromaticContact CD1-CD1 3.78Å; Y16-F27 HydrophobicContact CD1-CD1 3.78Å; Y16-F27 HydrophobicContact CD1-CD2 4.13Å; Y16-F27 AromaticContact CD1-CE1 3.6Å; Y16-F27 HydrophobicContact CD1-CE1 3.6Å; Y16-F27 AromaticContact CD1-CE2 3.99Å; Y16-F27 HydrophobicContact CD1-CE2 3.99Å; Y16-F27 HydrophobicContact CD1-CG 4.05Å; Y16-F27 AromaticContact CD1-CZ 3.73Å; Y16-F27 HydrophobicContact CD1-CZ 3.73Å; Y16-F27 HydrophobicContact CE1-CD1 4.2Å; Y16-F27 HydrophobicContact CE1-CE1 4.3Å; Y16-F27 HydrophobicContact CG-CE1 4.21Å; Y16-F27 HydrophobicContact CG-CE2 4.41Å; Y16-F27 HydrophobicContact CG-CZ 4.03Å; F27-D31 HydrophobicContact CB-CB 3.93Å; F27-D31 HydrophobicContact CD1-CB 4.31Å; F27-D31 HydrophobicContact CG-CB 4.4Å; F27-S32 PolarHBondContact O-OG 2.89Å; F27-L35 HydrophobicContact CD2-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD1 3.97Å; F27-L35 HydrophobicContact CG-CD1 4.3Å; F27-V73 HydrophobicContact CD1-CB 4.12Å; F27-V73 HydrophobicContact CE1-CB 3.76Å; F27-V73 HydrophobicContact CE1-CG1 4.27Å; F27-V73 HydrophobicContact CE1-CG2 3.67Å; F27-V73 HydrophobicContact CZ-CG2 4.21Å; F27-R74 HydrophobicContact CD1-CG 4.05Å; F27-R74 HydrophobicContact CE1-CG 3.78Å; F27-I101 HydrophobicContact CE2-CB 4.26Å; F27-I101 HydrophobicContact CE2-CG2 3.82Å; F27-I101 HydrophobicContact CZ-CG2 3.77Å
28N95Very high89.8Confident40 Ų4048.4 Ų48.421%0.21425%0.249CC..PPolyproline II helixtrans-61.7169.7173.668.537.5000111.2R13 Y30 D31 S32 D277 I279R13-N28 PolarHBondContact NH1-O 2.69Å; N28-Y30 PolarHBondContact O-N 3.37Å; N28-Y30 PolarHBondContact OD1-N 2.91Å; N28-D31 PolarHBondContact ND2-OD2 3.47Å; N28-D31 VanDerWaalsContact OD1-CB 3.26Å; N28-D31 WeakPolarHBondContact OD1-CB 3.4Å; N28-D31 PolarHBondContact OD1-N 2.88Å; N28-D31 PolarHBondContact OD1-OD1 3.45Å; N28-S32 WeakPolarHBondContact O-CB 3.31Å; N28-S32 PolarHBondContact O-N 3.46Å; N28-S32 PolarHBondContact O-OG 3.22Å; N28-D277 HydrophobicContact CB-CB 4.47Å; N28-I279 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I279 WeakPolarHBondContact ND2-CG1 3.47Å
29G96.6Very high90.4Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-55-50.5179.400000113.7D31 S32 I33 L274 D277G29-D31 PolarHBondContact O-N 2.82Å; G29-S32 PolarHBondContact O-N 3.2Å; G29-I33 VanDerWaalsContact O-CG1 3.3Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 2.72Å; G29-L274 CarbonylContact C-O 3.55Å; G29-L274 VanDerWaalsContact C-O 3.25Å; G29-L274 WeakPolarHBondContact CA-O 3.38Å; G29-D277 WeakPolarHBondContact CA-OD2 3.3Å; G29-D277 PolarHBondContact N-OD2 3.44Å
30Y96.6Very high91.3Very high77 Ų7746.7 Ų46.730%0.30222%0.224SC..Hα-helixtrans-57.7-52-177.6178.5-97.6000112.7N28 S32 I33 N34 L274 K275 K278N28-Y30 PolarHBondContact O-N 3.37Å; N28-Y30 PolarHBondContact OD1-N 2.91Å; Y30-S32 VanDerWaalsContact C-N 3.34Å; Y30-S32 PolarHBondContact O-N 3.02Å; Y30-I33 PolarHBondContact O-N 3.39Å; Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.44Å; Y30-N34 VanDerWaalsContact O-CG 3.29Å; Y30-N34 PolarHBondContact O-N 3.29Å; Y30-N34 PolarHBondContact O-ND2 3.05Å; Y30-L274 PolarHBondContact N-O 2.96Å; Y30-L274 VanDerWaalsContact N-O 3.11Å; Y30-K275 WeakPolarHBondContact CD2-O 3.48Å; Y30-K278 HydrophobicContact CD1-CB 4.25Å; Y30-K278 HydrophobicContact CD1-CG 3.94Å; Y30-K278 HydrophobicContact CD2-CB 3.77Å; Y30-K278 HydrophobicContact CD2-CD 4.46Å; Y30-K278 HydrophobicContact CD2-CG 4.02Å; Y30-K278 HydrophobicContact CE1-CD 4.48Å; Y30-K278 HydrophobicContact CE1-CG 4.05Å; Y30-K278 HydrophobicContact CE2-CB 4.32Å; Y30-K278 HydrophobicContact CE2-CD 4.15Å; Y30-K278 HydrophobicContact CE2-CG 4.15Å; Y30-K278 HydrophobicContact CG-CB 3.73Å; Y30-K278 HydrophobicContact CG-CG 3.91Å
31D97.1Very high92.1Very high7 Ų744.7 Ų44.74%0.03721%0.214CC..Hα-helixtrans-61-43.9177.5-68.8-1.5000110.4F27 N28 G29 I33 N34 L35 V73 R74F27-D31 HydrophobicContact CB-CB 3.93Å; F27-D31 HydrophobicContact CD1-CB 4.31Å; F27-D31 HydrophobicContact CG-CB 4.4Å; N28-D31 PolarHBondContact ND2-OD2 3.47Å; N28-D31 VanDerWaalsContact OD1-CB 3.26Å; N28-D31 WeakPolarHBondContact OD1-CB 3.4Å; N28-D31 PolarHBondContact OD1-N 2.88Å; N28-D31 PolarHBondContact OD1-OD1 3.45Å; G29-D31 PolarHBondContact O-N 2.82Å; D31-I33 PolarHBondContact O-N 3.2Å; D31-N34 PolarHBondContact O-N 3.01Å; D31-L35 WeakPolarHBondContact O-CB 3.45Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 3.23Å; D31-V73 HydrophobicContact CB-CB 4.46Å; D31-V73 HydrophobicContact CB-CG1 4.18Å; D31-R74 PolarHBondContact OD2-N 2.84Å
32S97.5Very high92.7Very high0 Ų042.4 Ų42.40%020%0.199CC..Hα-helixtrans-64.3-39.8180-60.20000112.4R13 W14 F27 N28 G29 Y30 E36R13-S32 WeakPolarHBondContact CD-OG 3.49Å; R13-S32 PolarHBondContact NH1-OG 3.04Å; W14-S32 PolarHBondContact N-OG 3.43Å; F27-S32 PolarHBondContact O-OG 2.89Å; N28-S32 WeakPolarHBondContact O-CB 3.31Å; N28-S32 PolarHBondContact O-N 3.46Å; N28-S32 PolarHBondContact O-OG 3.22Å; G29-S32 PolarHBondContact O-N 3.2Å; Y30-S32 VanDerWaalsContact C-N 3.34Å; Y30-S32 PolarHBondContact O-N 3.02Å; S32-E36 VanDerWaalsContact O-CB 3.23Å; S32-E36 WeakPolarHBondContact O-CB 3.29Å; S32-E36 PolarHBondContact O-N 3.24Å
33I96.9Very high92.8Very high5 Ų538.1 Ų38.13%0.02618%0.182CC..Hα-helixtrans-63.7-49174.7-71.6166.5000110V9 G29 Y30 D31 L35 E36 L37 A273 K275V9-I33 HydrophobicContact CG1-CB 4.31Å; V9-I33 HydrophobicContact CG1-CG1 4.22Å; V9-I33 HydrophobicContact CG1-CG2 4.06Å; G29-I33 VanDerWaalsContact O-CG1 3.3Å; G29-I33 WeakPolarHBondContact O-CG1 3.48Å; G29-I33 PolarHBondContact O-N 2.72Å; Y30-I33 PolarHBondContact O-N 3.39Å; D31-I33 PolarHBondContact O-N 3.2Å; I33-L35 PolarHBondContact O-N 3.16Å; I33-E36 PolarHBondContact O-N 2.93Å; I33-L37 HydrophobicContact CG2-CD1 3.76Å; I33-L37 HydrophobicContact CG2-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.43Å; I33-A273 HydrophobicContact CD1-CB 4.18Å; I33-A273 HydrophobicContact CG1-CB 3.81Å; I33-K275 HydrophobicContact CD1-CB 4.5Å; I33-K275 HydrophobicContact CD1-CG 3.72Å
34N95.8Very high92.3Very high46 Ų4635.7 Ų35.725%0.24618%0.182CC..Hα-helixtrans-63.4-42.7-177.9-68.6-27000111.8Y30 D31 L37 D38 V71Y30-N34 WeakPolarHBondContact CD1-ND2 3.49Å; Y30-N34 WeakPolarHBondContact CE1-ND2 3.44Å; Y30-N34 VanDerWaalsContact O-CG 3.29Å; Y30-N34 PolarHBondContact O-N 3.29Å; Y30-N34 PolarHBondContact O-ND2 3.05Å; D31-N34 PolarHBondContact O-N 3.01Å; N34-L37 PolarHBondContact O-N 2.73Å; N34-D38 WeakPolarHBondContact O-CB 3.36Å; N34-D38 PolarHBondContact O-N 3.45Å; N34-V71 HydrophobicContact CB-CG1 3.97Å
35L96Very high91Very high0 Ų037.9 Ų37.90%020%0.2CC..Hα-helixtrans-60.9-45.1173.3-72.4169.7000111.7W14 F27 D31 I33 D38 Y39 V71 V73 A80 I82W14-L35 HydrophobicContact CB-CB 4.45Å; W14-L35 HydrophobicContact CB-CD1 3.58Å; W14-L35 HydrophobicContact CD2-CB 3.77Å; W14-L35 HydrophobicContact CD2-CD1 4.05Å; W14-L35 HydrophobicContact CD2-CG 4.48Å; W14-L35 HydrophobicContact CE3-CB 4.44Å; W14-L35 HydrophobicContact CE3-CD1 4.31Å; W14-L35 HydrophobicContact CG-CB 3.74Å; W14-L35 HydrophobicContact CG-CD1 3.74Å; W14-L35 HydrophobicContact CG-CG 4.4Å; W14-L35 HydrophobicContact CZ2-CB 4.45Å; F27-L35 HydrophobicContact CD2-CD1 3.85Å; F27-L35 HydrophobicContact CE2-CD1 3.97Å; F27-L35 HydrophobicContact CG-CD1 4.3Å; D31-L35 WeakPolarHBondContact O-CB 3.45Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 3.23Å; I33-L35 PolarHBondContact O-N 3.16Å; L35-D38 PolarHBondContact O-N 2.78Å; L35-Y39 VanDerWaalsContact O-CB 3.25Å; L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.46Å; L35-V71 HydrophobicContact CD2-CB 3.84Å; L35-V71 HydrophobicContact CD2-CG1 4.06Å; L35-V71 HydrophobicContact CD2-CG2 4.21Å; L35-V71 HydrophobicContact CG-CG1 4.32Å; L35-V73 HydrophobicContact CD1-CG1 4.08Å; L35-V73 HydrophobicContact CD2-CG1 4.21Å; L35-V73 HydrophobicContact CG-CG1 4.17Å; L35-A80 HydrophobicContact CD2-CB 3.58Å; L35-I82 HydrophobicContact CD2-CD1 4.12Å; L35-I82 HydrophobicContact CD2-CG1 4.13Å; L35-I82 VanDerWaalsContact O-CD1 3.23Å; L35-I82 WeakPolarHBondContact O-CD1 3.15Å
36E95.7Very high89.5Confident0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-68.3-36-179.8-179.364.3-176.600112.5V9 V12 W14 S32 I33 R40 R103V9-E36 HydrophobicContact CB-CG 4.31Å; V9-E36 HydrophobicContact CG1-CB 3.98Å; V9-E36 HydrophobicContact CG1-CG 3.83Å; V9-E36 HydrophobicContact CG2-CG 4.28Å; V12-E36 HydrophobicContact CB-CG 4.18Å; V12-E36 HydrophobicContact CG1-CG 4.38Å; V12-E36 WeakPolarHBondContact CG1-OE2 3.28Å; V12-E36 HydrophobicContact CG2-CG 4.43Å; W14-E36 PolarHBondContact NE1-OE2 2.92Å; S32-E36 VanDerWaalsContact O-CB 3.23Å; S32-E36 WeakPolarHBondContact O-CB 3.29Å; S32-E36 PolarHBondContact O-N 3.24Å; I33-E36 PolarHBondContact O-N 2.93Å; E36-R40 WeakPolarHBondContact O-CB 3.49Å; E36-R40 VanDerWaalsContact O-CG 3.23Å; E36-R40 WeakPolarHBondContact O-CG 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å; E36-R40 IonicContact OE1-CZ 3.87Å; E36-R40 VanDerWaalsContact OE1-CZ 3.28Å; E36-R40 IonicContact OE1-NE 3.55Å; E36-R40 PolarHBondContact OE1-NE 2.83Å; E36-R40 IonicContact OE1-NH2 3.72Å; E36-R40 PolarHBondContact OE1-NH2 3.18Å; E36-R103 IonicContact OE1-CZ 2.89Å; E36-R103 IonicContact OE1-NE 3.29Å; E36-R103 IonicContact OE1-NH2 3.38Å; E36-R103 PolarHBondContact OE1-NH2 2.68Å; E36-R103 IonicContact OE2-CZ 3.99Å; E36-R103 IonicContact OE2-NE 2.67Å; E36-R103 PolarHBondContact OE2-NE 3.43Å; E36-R103 IonicContact OE2-NH2 3.42Å
37L94Very high87.7Confident82 Ų8244.8 Ų44.843%0.42923%0.227SC..Hα-helixtrans-66.6-44.6175-71.7174.7000111.7V9 I33 N34 R40 S41V9-L37 HydrophobicContact CG1-CD2 4.41Å; V9-L37 HydrophobicContact CG1-CG 4.36Å; V9-L37 HydrophobicContact CG2-CD2 4.17Å; I33-L37 HydrophobicContact CG2-CD1 3.76Å; I33-L37 HydrophobicContact CG2-CG 4.21Å; I33-L37 WeakPolarHBondContact O-CB 3.46Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.43Å; N34-L37 PolarHBondContact O-N 2.73Å; L37-R40 PolarHBondContact O-N 2.94Å; L37-S41 PolarHBondContact O-N 2.88Å; L37-S41 PolarHBondContact O-OG 3.01Å
38D92.6Very high85.7Confident20 Ų2047.4 Ų47.411%0.10725%0.246CC..Hα-helixtrans-67.3-38.3177.1-171.886.2000111.6N34 L35 S41 R42 H69 V71 I82N34-D38 WeakPolarHBondContact O-CB 3.36Å; N34-D38 PolarHBondContact O-N 3.45Å; L35-D38 PolarHBondContact O-N 2.78Å; D38-S41 PolarHBondContact O-OG 3.49Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.46Å; D38-R42 PolarHBondContact O-N 3.34Å; D38-R42 IonicContact OD1-NH2 2.97Å; D38-R42 IonicContact OD2-CZ 3.77Å; D38-R42 IonicContact OD2-NE 3.43Å; D38-R42 PolarHBondContact OD2-NE 3.03Å; D38-R42 IonicContact OD2-NH2 3.7Å; D38-R42 PolarHBondContact OD2-NH2 3.05Å; D38-H69 IonicContact OD1-CE1 3.43Å; D38-H69 IonicContact OD1-CG 2.99Å; D38-H69 IonicContact OD1-ND1 3.03Å; D38-H69 PolarHBondContact OD1-ND1 3.27Å; D38-V71 HydrophobicContact CB-CG2 3.87Å; D38-I82 HydrophobicContact CB-CD1 3.73Å; D38-I82 WeakPolarHBondContact OD2-CD1 3.42Å
39Y92.5Very high83.4Confident28 Ų2851.6 Ų51.611%0.1127%0.268CS..Hα-helixtrans-61.8-46.5171.4175.8-103.2000112.2W14 L35 R42 L43 I82W14-Y39 HydrophobicContact CH2-CD2 4.11Å; W14-Y39 HydrophobicContact CH2-CG 4.21Å; W14-Y39 HydrophobicContact CZ2-CD1 4.42Å; W14-Y39 HydrophobicContact CZ2-CD2 4.22Å; W14-Y39 AromaticContact CZ2-CG 3.85Å; W14-Y39 HydrophobicContact CZ2-CG 3.85Å; L35-Y39 VanDerWaalsContact O-CB 3.25Å; L35-Y39 WeakPolarHBondContact O-CB 3.28Å; L35-Y39 PolarHBondContact O-N 3.46Å; Y39-R42 PolarHBondContact O-N 2.83Å; Y39-L43 HydrophobicContact CD1-CD1 4.09Å; Y39-L43 HydrophobicContact CE1-CD1 3.5Å; Y39-L43 HydrophobicContact CE1-CG 4.3Å; Y39-L43 PolarHBondContact O-N 2.9Å; Y39-I82 HydrophobicContact CD2-CG2 3.78Å; Y39-I82 HydrophobicContact CG-CG2 4.49Å
40R91Very high81Confident71 Ų7155.7 Ų55.727%0.26830%0.296SS..Hα-helixtrans-67.4-35.3-179.9-75.5-179.8-173.5-154.81.4112.8L7 E36 L37 L43 V44L7-R40 PolarHBondContact O-NH2 3.4Å; E36-R40 WeakPolarHBondContact O-CB 3.49Å; E36-R40 VanDerWaalsContact O-CG 3.23Å; E36-R40 WeakPolarHBondContact O-CG 3.39Å; E36-R40 PolarHBondContact O-N 3.34Å; E36-R40 IonicContact OE1-CZ 3.87Å; E36-R40 VanDerWaalsContact OE1-CZ 3.28Å; E36-R40 IonicContact OE1-NE 3.55Å; E36-R40 PolarHBondContact OE1-NE 2.83Å; E36-R40 IonicContact OE1-NH2 3.72Å; E36-R40 PolarHBondContact OE1-NH2 3.18Å; L37-R40 PolarHBondContact O-N 2.94Å; R40-L43 PolarHBondContact O-N 3.42Å; R40-V44 PolarHBondContact O-N 3.42Å
41S87.4Confident78.4Confident57 Ų5757.3 Ų57.340%0.39931%0.309SS..Hα-helixtrans-65.4-41177.567.10000111.5L37 D38 L43 V44 C45L37-S41 PolarHBondContact O-N 2.88Å; L37-S41 PolarHBondContact O-OG 3.01Å; D38-S41 PolarHBondContact O-OG 3.49Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 3.07Å; S41-V44 PolarHBondContact O-N 3.45Å; S41-V44 VanDerWaalsContact O-N 3.09Å; S41-C45 PolarHBondContact O-N 3.37Å; S41-C45 VanDerWaalsContact O-N 3.1Å
42R82.8Confident76.1Confident43 Ų4363.2 Ų63.216%0.16234%0.335CS..Hα-helixtrans-59.3-42.1174.6-67.3171.5-163.9-102.7-3.8112.4D38 Y39 V44 C45 D46 H69 D83D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.46Å; D38-R42 PolarHBondContact O-N 3.34Å; D38-R42 IonicContact OD1-NH2 2.97Å; D38-R42 IonicContact OD2-CZ 3.77Å; D38-R42 IonicContact OD2-NE 3.43Å; D38-R42 PolarHBondContact OD2-NE 3.03Å; D38-R42 IonicContact OD2-NH2 3.7Å; D38-R42 PolarHBondContact OD2-NH2 3.05Å; Y39-R42 PolarHBondContact O-N 2.83Å; R42-V44 PolarHBondContact O-N 3.49Å; R42-C45 PolarHBondContact O-N 3.46Å; R42-D46 PolarHBondContact O-N 2.8Å; R42-H69 PolarHBondContact NH2-O 3.47Å; R42-D83 IonicContact CZ-OD2 3.36Å; R42-D83 IonicContact NH1-OD1 2.8Å; R42-D83 IonicContact NH1-OD2 3.41Å; R42-D83 PolarHBondContact NH1-OD2 3.13Å
43L80.1Confident73.6Confident56 Ų5666.4 Ų66.429%0.29335%0.352SS..Hα-helixtrans-63.2-25.2176.1-69.3177.6000114Y39 R40 S41 K47Y39-L43 HydrophobicContact CD1-CD1 4.09Å; Y39-L43 HydrophobicContact CE1-CD1 3.5Å; Y39-L43 HydrophobicContact CE1-CG 4.3Å; Y39-L43 PolarHBondContact O-N 2.9Å; R40-L43 PolarHBondContact O-N 3.42Å; S41-L43 VanDerWaalsContact C-N 3.34Å; S41-L43 PolarHBondContact O-N 3.07Å; L43-K47 WeakPolarHBondContact O-CG 3.34Å
44V75.9Confident71.4Confident82 Ų8275.8 Ų75.850%0.49740%0.396SS..Hα-helixtrans-81.2-43.8175.7176.30000110.4R40 S41 R42 D46 K47 S48R40-V44 PolarHBondContact O-N 3.42Å; S41-V44 PolarHBondContact O-N 3.45Å; S41-V44 VanDerWaalsContact O-N 3.09Å; R42-V44 PolarHBondContact O-N 3.49Å; V44-D46 PolarHBondContact O-N 3.12Å; V44-K47 WeakPolarHBondContact O-CB 3.4Å; V44-K47 PolarHBondContact O-N 3.14Å; V44-S48 PolarHBondContact O-N 2.84Å; V44-S48 VanDerWaalsContact O-N 3.11Å
45C64.6Low69.2Low69 Ų6978.7 Ų78.747%0.46642%0.415SS..Hα-helixtrans-60.4-43.4177.9-68.90000112.5S41 R42 K47 S48 D49S41-C45 PolarHBondContact O-N 3.37Å; S41-C45 VanDerWaalsContact O-N 3.1Å; R42-C45 PolarHBondContact O-N 3.46Å; C45-K47 PolarHBondContact O-N 2.89Å; C45-K47 VanDerWaalsContact O-N 3.08Å; C45-S48 WeakPolarHBondContact CA-OG 3.41Å; C45-S48 PolarHBondContact O-N 3.36Å; C45-S48 VanDerWaalsContact O-N 3.07Å; C45-S48 PolarHBondContact O-OG 3.03Å; C45-D49 PolarHBondContact O-N 3.39Å
46D60.8Low67.1Low90 Ų9081.3 Ų81.348%0.48144%0.442SS..Hα-helixtrans-57.9-26.9175.8-79.4-12.8000112.6R42 V44 C50R42-D46 PolarHBondContact O-N 2.8Å; V44-D46 PolarHBondContact O-N 3.12Å; D46-C50 PolarHBondContact O-SG 2.81Å; D46-C50 VanDerWaalsContact O-SG 3.36Å
47K57Low64.7Low162 Ų16284.9 Ų84.970%0.70447%0.467SS*.Hα-helixtrans-86-31.6177.7-66.9176.2-175.6175.30113L43 V44 C45L43-K47 WeakPolarHBondContact O-CG 3.34Å; V44-K47 WeakPolarHBondContact O-CB 3.4Å; V44-K47 PolarHBondContact O-N 3.14Å; C45-K47 PolarHBondContact O-N 2.89Å; C45-K47 VanDerWaalsContact O-N 3.08Å
48S53.8Low62.1Low60 Ų6088.2 Ų88.242%0.4248%0.478SS..Hα-helixtrans-77.1-30-179.653.80000113.4V44 C45 C50V44-S48 PolarHBondContact O-N 2.84Å; V44-S48 VanDerWaalsContact O-N 3.11Å; C45-S48 WeakPolarHBondContact CA-OG 3.41Å; C45-S48 PolarHBondContact O-N 3.36Å; C45-S48 VanDerWaalsContact O-N 3.07Å; C45-S48 PolarHBondContact O-OG 3.03Å; S48-C50 PolarHBondContact O-N 2.98Å
49D47.6Very low59.8Low129 Ų12991.4 Ų91.469%0.6949%0.494SS*.THydrogen-bonded Turntrans-72.62.4-179.1-72.1-4.6000114C45C45-D49 PolarHBondContact O-N 3.39Å
50C44.8Very low57.2Low85 Ų8595.7 Ų95.757%0.57453%0.527SS*.THydrogen-bonded Turntrans-9510.5179.4-60.80000114.4D46 S48 F52D46-C50 PolarHBondContact O-SG 2.81Å; D46-C50 VanDerWaalsContact O-SG 3.36Å; S48-C50 PolarHBondContact O-N 2.98Å; C50-F52 WeakPolarHBondContact O-CD2 3.45Å; C50-F52 PolarHBondContact O-N 2.83Å
51L43.3Very low54.5Low112 Ų11298.6 Ų98.659%0.58655%0.548SS*.  trans-79.1110.6177.9-94.5134.9000112.1
52F48.9Very low52.2Low130 Ų130100.5 Ų100.557%0.5756%0.561SS**BIsolated β-bridgetrans-91.5140170.9-67-89.1000110.6C50 K58C50-F52 WeakPolarHBondContact O-CD2 3.45Å; C50-F52 PolarHBondContact O-N 2.83Å; F52-K58 HydrophobicContact CD1-CG 4.35Å; F52-K58 HydrophobicContact CE1-CG 3.93Å
53D43.9Very low49.9Very low68 Ų68107.6 Ų107.636%0.36460%0.596SS.*  trans-63.6158.5163.9-178.918.9000110.4T55 G56 S57 I59D53-T55 PolarHBondContact O-N 3.29Å; D53-T55 WeakPolarHBondContact OD2-CG2 3.25Å; D53-T55 PolarHBondContact OD2-OG1 3.13Å; D53-G56 PolarHBondContact O-N 3.27Å; D53-S57 PolarHBondContact N-O 3.22Å; D53-I59 HydrophobicContact CB-CD1 3.81Å; D53-I59 HydrophobicContact CB-CG1 3.86Å
54Q51Low47.7Very low202 Ų202112.7 Ų112.794%0.94462%0.618SS**THydrogen-bonded Turntrans-54.2-13.3171.5-62-176.516.100113.4
55T50.7Low45.7Very low106 Ų106113.6 Ų113.665%0.6563%0.626SS**THydrogen-bonded Turntrans-92.71.1174.862.40000114.4D53 S57D53-T55 PolarHBondContact O-N 3.29Å; D53-T55 WeakPolarHBondContact OD2-CG2 3.25Å; D53-T55 PolarHBondContact OD2-OG1 3.13Å; T55-S57 PolarHBondContact O-N 2.67Å
56G51Low44.6Very low55 Ų55115.7 Ų115.757%0.56764%0.641SS**SBendtrans72.16.2-17700000114.2D53D53-G56 PolarHBondContact O-N 3.27Å
57S44.3Very low43.8Very low75 Ų75116.6 Ų116.652%0.52465%0.65SS.*  trans-85.9132174.6-153.50000110.2D53 T55 I59D53-S57 PolarHBondContact N-O 3.22Å; T55-S57 PolarHBondContact O-N 2.67Å; S57-I59 PolarHBondContact O-N 3.34Å
58K40.6Very low43.8Very low152 Ų152113.8 Ų113.866%0.66164%0.643SS**BIsolated β-bridgetrans-60.8118.4173.6-94.4-172.8170.6-1690108.9F52 C60F52-K58 HydrophobicContact CD1-CG 4.35Å; F52-K58 HydrophobicContact CE1-CG 3.93Å; K58-C60 VanDerWaalsContact C-N 3.31Å; K58-C60 PolarHBondContact O-N 3.18Å; K58-C60 VanDerWaalsContact O-N 3.12Å
59I43.6Very low44.6Very low87 Ų87116.1 Ų116.145%0.44665%0.646SS.*  trans-80.786165.8-56.1173.8000106.5D53 S57 N61D53-I59 HydrophobicContact CB-CD1 3.81Å; D53-I59 HydrophobicContact CB-CG1 3.86Å; S57-I59 PolarHBondContact O-N 3.34Å; I59-N61 HydrophobicContact CG2-CB 4.23Å; I59-N61 VanDerWaalsContact CG2-CG 3.43Å; I59-N61 WeakPolarHBondContact CG2-ND2 3.27Å; I59-N61 WeakPolarHBondContact CG2-OD1 3.31Å; I59-N61 PolarHBondContact O-N 3.21Å
60C38Very low46.5Very low119 Ų119114 Ų11480%0.80463%0.631SS**  trans-75.983.5164.737.30000108.3K58K58-C60 VanDerWaalsContact C-N 3.31Å; K58-C60 PolarHBondContact O-N 3.18Å; K58-C60 VanDerWaalsContact O-N 3.12Å
61N34.8Very low48.8Very low132 Ų132110.5 Ų110.571%0.70661%0.607SS**  trans-83.6124.1167.4-83.2-14.9000109.1I59I59-N61 HydrophobicContact CG2-CB 4.23Å; I59-N61 VanDerWaalsContact CG2-CG 3.43Å; I59-N61 WeakPolarHBondContact CG2-ND2 3.27Å; I59-N61 WeakPolarHBondContact CG2-OD1 3.31Å; I59-N61 PolarHBondContact O-N 3.21Å
62S39.1Very low51.1Low97 Ų97107.9 Ų107.968%0.67860%0.598SS**  trans81.6118.5166.575.40000118.2H64S62-H64 PolarHBondContact O-N 3.49Å
63E33.8Very low53.3Low192 Ų192101.7 Ų101.790%0.89757%0.571SS**  trans-57.879.3160.2-59.8168.1150.600110.3
64H34.6Very low55.7Low162 Ų162101.9 Ų101.975%0.7557%0.567SS**  trans-103.5103.6153.4-79.9-66.2000106.6S62 S66S62-H64 PolarHBondContact O-N 3.49Å; H64-S66 PolarHBondContact O-N 2.9Å
65P34.6Very low57.6Low101 Ų10193.3 Ų93.366%0.65653%0.533SS*.  trans-57.6132.2168.224.9-28.1000105.6V67P65-V67 HydrophobicContact CG-CG2 4.13Å; P65-V67 PolarHBondContact O-N 2.93Å
66S40.9Very low59.5Low113 Ų11388.7 Ų88.779%0.7951%0.506SS*.  trans-59.676.5165.156.30000107.7H64 N68H64-S66 PolarHBondContact O-N 2.9Å; S66-N68 PolarHBondContact O-N 3.47Å
67V44.2Very low61.5Low109 Ų10986.7 Ų86.766%0.66148%0.482SS*.  trans-63.1112166.6-179.40000102.4P65 H69P65-V67 HydrophobicContact CG-CG2 4.13Å; P65-V67 PolarHBondContact O-N 2.93Å; V67-H69 PolarHBondContact O-N 3.42Å
68N56.8Low63.9Low104 Ų10484.3 Ų84.356%0.55646%0.462SS*.  trans-54.184.6169.5-87-16.5000107.5S66 K70S66-N68 PolarHBondContact O-N 3.47Å; N68-K70 PolarHBondContact O-N 2.82Å
69H70.7Confident66.4Low108 Ų10879.5 Ų79.550%0.544%0.442SS..  trans-72.2106.8-176.2-174.9-117.9000105.1D38 R42 V67D38-H69 IonicContact OD1-CE1 3.43Å; D38-H69 IonicContact OD1-CG 2.99Å; D38-H69 IonicContact OD1-ND1 3.03Å; D38-H69 PolarHBondContact OD1-ND1 3.27Å; R42-H69 PolarHBondContact NH2-O 3.47Å; V67-H69 PolarHBondContact O-N 3.42Å
70K87.1Confident68.8Low85 Ų8575.4 Ų75.437%0.3742%0.421SS..PPolyproline II helixtrans-90.3137.7175.7-61.8-179.8-177.5177.40108.6N68 E79 A80N68-K70 PolarHBondContact O-N 2.82Å; K70-E79 HydrophobicContact CB-CB 3.94Å; K70-E79 HydrophobicContact CD-CB 3.86Å; K70-E79 WeakPolarHBondContact CD-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.64Å; K70-E79 PolarHBondContact NZ-OE2 3.34Å; K70-A80 CarbonylContact C-O 3.59Å; K70-A80 WeakPolarHBondContact CA-O 3.3Å
71V92.1Very high71.4Confident12 Ų1271.3 Ų71.37%0.07339%0.391CS..EExtended strand (participates in β ladder)trans-91.8122.4178.9-178.20000108.6N34 L35 D38 V73 A80 I82N34-V71 HydrophobicContact CB-CG1 3.97Å; L35-V71 HydrophobicContact CD2-CB 3.84Å; L35-V71 HydrophobicContact CD2-CG1 4.06Å; L35-V71 HydrophobicContact CD2-CG2 4.21Å; L35-V71 HydrophobicContact CG-CG1 4.32Å; D38-V71 HydrophobicContact CB-CG2 3.87Å; V71-V73 HydrophobicContact CG1-CG1 4.2Å; V71-V73 PolarHBondContact O-N 3.43Å; V71-A80 PolarHBondContact N-O 2.91Å; V71-A80 PolarHBondContact O-N 3.32Å; V71-I82 HydrophobicContact CG2-CD1 4.41Å
72S93.2Very high74.1Confident56 Ų5665.1 Ų65.139%0.39236%0.358SS..EExtended strand (participates in β ladder)trans-65.8125.5173.1-176.40000110G76S72-G76 VanDerWaalsContact OG-CA 3.27Å; S72-G76 WeakPolarHBondContact OG-CA 3.35Å
73V94.6Very high76.4Confident0 Ų065.1 Ų65.10%035%0.35CS..EExtended strand (participates in β ladder)trans-134.9166.8-176.6-63.60000111F27 D31 L35 V71 G75 G76 Y78 A80 C87F27-V73 HydrophobicContact CD1-CB 4.12Å; F27-V73 HydrophobicContact CE1-CB 3.76Å; F27-V73 HydrophobicContact CE1-CG1 4.27Å; F27-V73 HydrophobicContact CE1-CG2 3.67Å; F27-V73 HydrophobicContact CZ-CG2 4.21Å; D31-V73 HydrophobicContact CB-CB 4.46Å; D31-V73 HydrophobicContact CB-CG1 4.18Å; L35-V73 HydrophobicContact CD1-CG1 4.08Å; L35-V73 HydrophobicContact CD2-CG1 4.21Å; L35-V73 HydrophobicContact CG-CG1 4.17Å; V71-V73 HydrophobicContact CG1-CG1 4.2Å; V71-V73 PolarHBondContact O-N 3.43Å; V73-G75 VanDerWaalsContact C-N 3.3Å; V73-G75 PolarHBondContact O-N 3.46Å; V73-G76 PolarHBondContact O-N 3.22Å; V73-G76 VanDerWaalsContact O-N 3.08Å; V73-Y78 WeakPolarHBondContact CG2-O 3.43Å; V73-Y78 PolarHBondContact N-O 2.92Å; V73-Y78 PolarHBondContact O-N 3.04Å; V73-Y78 VanDerWaalsContact O-O 3.11Å; V73-A80 HydrophobicContact CG1-CB 4Å; V73-A80 HydrophobicContact CG2-CB 4.07Å; V73-C87 HydrophobicContact CG2-CB 4.43Å
74R93.4Very high79Confident72 Ų7258 Ų5827%0.27233%0.328SS..G310 helixtrans5545.6178.9-57.4176.965.6-170.32.4111.9F27 D31 G76 L77 Y78F27-R74 HydrophobicContact CD1-CG 4.05Å; F27-R74 HydrophobicContact CE1-CG 3.78Å; D31-R74 PolarHBondContact OD2-N 2.84Å; R74-G76 VanDerWaalsContact C-N 3.26Å; R74-G76 PolarHBondContact O-N 2.93Å; R74-L77 PolarHBondContact O-N 2.94Å; R74-Y78 HydrophobicContact CB-CD2 4.13Å; R74-Y78 HydrophobicContact CG-CD2 4.49Å
75G91.1Very high81.6Confident23 Ų2353.3 Ų53.324%0.23730%0.304CS..G310 helixtrans70.119.7179.700000114.2V73 R329V73-G75 VanDerWaalsContact C-N 3.3Å; V73-G75 PolarHBondContact O-N 3.46Å; G75-R329 PolarHBondContact O-NH2 2.88Å
76G92.1Very high84.4Confident8 Ų849.3 Ų49.38%0.08228%0.278CS..G310 helixtrans88.66.5179.500000115.4S72 V73 R74 Y78 T90 Y91S72-G76 VanDerWaalsContact OG-CA 3.27Å; S72-G76 WeakPolarHBondContact OG-CA 3.35Å; V73-G76 PolarHBondContact O-N 3.22Å; V73-G76 VanDerWaalsContact O-N 3.08Å; R74-G76 VanDerWaalsContact C-N 3.26Å; R74-G76 PolarHBondContact O-N 2.93Å; G76-Y78 VanDerWaalsContact C-N 3.33Å; G76-T90 PolarHBondContact O-OG1 3.38Å; G76-Y91 WeakPolarHBondContact O-CE2 3.36Å
77L92.8Very high86.9Confident13 Ų1344 Ų447%0.06824%0.241CC..THydrogen-bonded Turntrans-76.8-20.7173.8-69.8179.3000113.3R74 P89 T90 Y91 W92 E331 L333R74-L77 PolarHBondContact O-N 2.94Å; L77-P89 WeakPolarHBondContact O-CA 3.41Å; L77-T90 PolarHBondContact O-N 3.29Å; L77-T90 PolarHBondContact O-OG1 3.49Å; L77-Y91 HydrophobicContact CD2-CD2 4.09Å; L77-Y91 HydrophobicContact CD2-CE2 4.04Å; L77-W92 HydrophobicContact CB-CH2 4.42Å; L77-W92 HydrophobicContact CD2-CH2 4.06Å; L77-W92 HydrophobicContact CD2-CZ3 4.21Å; L77-E331 HydrophobicContact CD2-CG 4.13Å; L77-L333 HydrophobicContact CD2-CD2 4.09Å
78Y93.5Very high89.1Confident25 Ų2540 Ų4010%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-134.3150.7-179.9-68.4-103.9000110.7V73 R74 G76 V88 P89 T90 W92V73-Y78 WeakPolarHBondContact CG2-O 3.43Å; V73-Y78 PolarHBondContact N-O 2.92Å; V73-Y78 PolarHBondContact O-N 3.04Å; V73-Y78 VanDerWaalsContact O-O 3.11Å; R74-Y78 HydrophobicContact CB-CD2 4.13Å; R74-Y78 HydrophobicContact CG-CD2 4.49Å; G76-Y78 VanDerWaalsContact C-N 3.33Å; Y78-V88 CarbonylContact C-O 3.57Å; Y78-V88 WeakPolarHBondContact CA-O 3.42Å; Y78-V88 WeakPolarHBondContact CB-O 3.32Å; Y78-P89 HydrophobicContact CD1-CB 4.36Å; Y78-P89 HydrophobicContact CD1-CG 4.29Å; Y78-P89 HydrophobicContact CE1-CB 4.13Å; Y78-P89 HydrophobicContact CE1-CG 3.82Å; Y78-T90 WeakPolarHBondContact CA-OG1 3.34Å; Y78-T90 PolarHBondContact N-OG1 2.86Å; Y78-T90 VanDerWaalsContact N-OG1 3.16Å; Y78-W92 HydrophobicContact CE2-CZ2 4.31Å
79E93.8Very high90.7Very high52 Ų5236.1 Ų36.124%0.24320%0.197CC..EExtended strand (participates in β ladder)trans-112.8124.7170.8-69.3-176.4156.500108.6K70 C87 V88 T90K70-E79 HydrophobicContact CB-CB 3.94Å; K70-E79 HydrophobicContact CD-CB 3.86Å; K70-E79 WeakPolarHBondContact CD-OE2 3.29Å; K70-E79 IonicContact NZ-OE2 2.64Å; K70-E79 PolarHBondContact NZ-OE2 3.34Å; E79-C87 CarbonylContact O-C 3.52Å; E79-C87 WeakPolarHBondContact O-CA 3.29Å; E79-C87 WeakPolarHBondContact O-CB 3.47Å; E79-V88 HydrophobicContact CB-CG2 4.37Å; E79-V88 PolarHBondContact N-O 2.88Å; E79-V88 PolarHBondContact O-N 3.02Å; E79-T90 HydrophobicContact CG-CG2 4.15Å
80A94.7Very high91.7Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-91.7124.8176.900000110.7L35 K70 V71 V73 C87 I101L35-A80 HydrophobicContact CD2-CB 3.58Å; K70-A80 CarbonylContact C-O 3.59Å; K70-A80 WeakPolarHBondContact CA-O 3.3Å; V71-A80 PolarHBondContact N-O 2.91Å; V71-A80 PolarHBondContact O-N 3.32Å; V73-A80 HydrophobicContact CG1-CB 4Å; V73-A80 HydrophobicContact CG2-CB 4.07Å; A80-C87 HydrophobicContact CB-CB 4.09Å; A80-I101 HydrophobicContact CB-CD1 4.13Å
81D91.7Very high91.9Very high33 Ų3327.7 Ų27.718%0.17616%0.16CC..EExtended strand (participates in β ladder)trans-97109.7166.6178.32.4000108.3D83 G84 R85 C86D81-D83 PolarHBondContact OD1-N 2.74Å; D81-G84 VanDerWaalsContact CG-N 3.29Å; D81-G84 PolarHBondContact OD1-N 3.08Å; D81-G84 PolarHBondContact OD2-N 3.06Å; D81-R85 PolarHBondContact O-N 3Å; D81-R85 VanDerWaalsContact O-N 3.09Å; D81-C86 PolarHBondContact N-O 3.11Å; D81-C86 PolarHBondContact O-N 3.07Å; D81-C86 VanDerWaalsContact O-N 3.17Å; D81-C86 VanDerWaalsContact O-O 3.1Å
82I91Very high91.6Very high3 Ų328.2 Ų28.22%0.01516%0.161CC..THydrogen-bonded Turntrans-67-40.1-178.6-61.4-163.3000110.8W14 L35 D38 Y39 V71 R85W14-I82 HydrophobicContact CH2-CG2 4.05Å; L35-I82 HydrophobicContact CD2-CD1 4.12Å; L35-I82 HydrophobicContact CD2-CG1 4.13Å; L35-I82 VanDerWaalsContact O-CD1 3.23Å; L35-I82 WeakPolarHBondContact O-CD1 3.15Å; D38-I82 HydrophobicContact CB-CD1 3.73Å; D38-I82 WeakPolarHBondContact OD2-CD1 3.42Å; Y39-I82 HydrophobicContact CD2-CG2 3.78Å; Y39-I82 HydrophobicContact CG-CG2 4.49Å; V71-I82 HydrophobicContact CG2-CD1 4.41Å; I82-R85 WeakPolarHBondContact O-CD 3.44Å; I82-R85 PolarHBondContact O-N 3.17Å
83D87Confident90.8Very high96 Ų9628 Ų2851%0.51316%0.159SC..THydrogen-bonded Turntrans-72.6-42.1-177.5-59.6-31.4000110.1R42 D81 R85R42-D83 IonicContact CZ-OD2 3.36Å; R42-D83 IonicContact NH1-OD1 2.8Å; R42-D83 IonicContact NH1-OD2 3.41Å; R42-D83 PolarHBondContact NH1-OD2 3.13Å; D81-D83 PolarHBondContact OD1-N 2.74Å; D83-R85 PolarHBondContact O-N 2.89Å
84G88.4Confident89.6Confident42 Ų4231.1 Ų31.143%0.43318%0.177SC..THydrogen-bonded Turntrans-71.8-5.2173.700000114.9D81 C86D81-G84 VanDerWaalsContact CG-N 3.29Å; D81-G84 PolarHBondContact OD1-N 3.08Å; D81-G84 PolarHBondContact OD2-N 3.06Å; G84-C86 PolarHBondContact O-N 3.47Å; G84-C86 VanDerWaalsContact O-N 3.1Å
85R90.9Very high88.2Confident64 Ų6431.4 Ų31.424%0.24218%0.181CC..THydrogen-bonded Turntrans44.941.7-174.8-63.4-68.1-173174.66.5112.7D81 I82 D83 R100 I101 E121D81-R85 PolarHBondContact O-N 3Å; D81-R85 VanDerWaalsContact O-N 3.09Å; I82-R85 WeakPolarHBondContact O-CD 3.44Å; I82-R85 PolarHBondContact O-N 3.17Å; D83-R85 PolarHBondContact O-N 2.89Å; R85-R100 WeakPolarHBondContact O-CA 3.27Å; R85-I101 VanDerWaalsContact C-CG1 3.49Å; R85-I101 PolarHBondContact O-N 2.8Å; R85-E121 IonicContact CZ-OE1 3.48Å; R85-E121 IonicContact CZ-OE2 3.16Å; R85-E121 IonicContact NE-OE2 3.99Å; R85-E121 PolarHBondContact NE-OE2 3.24Å; R85-E121 IonicContact NH1-OE1 3.45Å; R85-E121 IonicContact NH1-OE2 2.66Å; R85-E121 PolarHBondContact NH1-OE2 3.08Å; R85-E121 IonicContact NH2-OE2 3.93Å; R85-E121 PolarHBondContact NH2-OE2 2.82Å
86C92.9Very high86.8Confident18 Ų1837.8 Ų37.812%0.12220%0.199CC..EExtended strand (participates in β ladder)trans-147.2163.417865.40000112.7D81 G84 P98 T99D81-C86 PolarHBondContact N-O 3.11Å; D81-C86 PolarHBondContact O-N 3.07Å; D81-C86 VanDerWaalsContact O-N 3.17Å; D81-C86 VanDerWaalsContact O-O 3.1Å; G84-C86 PolarHBondContact O-N 3.47Å; G84-C86 VanDerWaalsContact O-N 3.1Å; C86-P98 HydrophobicContact CB-CB 3.44Å; C86-P98 VanDerWaalsContact CB-CB 3.44Å; C86-P98 VanDerWaalsContact SG-CB 3.5Å; C86-T99 CarbonylContact C-O 3.07Å; C86-T99 WeakPolarHBondContact CA-O 3.45Å; C86-T99 WeakPolarHBondContact CB-O 3.43Å
87C92.4Very high85.7Confident1 Ų143 Ų431%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-121.6145.6164.165.20000110.4V73 E79 A80 T99 I101V73-C87 HydrophobicContact CG2-CB 4.43Å; E79-C87 CarbonylContact O-C 3.52Å; E79-C87 WeakPolarHBondContact O-CA 3.29Å; E79-C87 WeakPolarHBondContact O-CB 3.47Å; A80-C87 HydrophobicContact CB-CB 4.09Å; C87-T99 PolarHBondContact N-O 2.68Å; C87-T99 PolarHBondContact O-N 3.34Å; C87-I101 HydrophobicContact CB-CG2 3.98Å
88V91Very high85.2Confident24 Ų2445.2 Ų45.215%0.14525%0.247CC..EExtended strand (participates in β ladder)trans-120.5148.9-178.5-67.40000109.2Y78 E79 V94 P98Y78-V88 CarbonylContact C-O 3.57Å; Y78-V88 WeakPolarHBondContact CA-O 3.42Å; Y78-V88 WeakPolarHBondContact CB-O 3.32Å; E79-V88 HydrophobicContact CB-CG2 4.37Å; E79-V88 PolarHBondContact N-O 2.88Å; E79-V88 PolarHBondContact O-N 3.02Å; V88-V94 HydrophobicContact CB-CG2 3.55Å; V88-V94 HydrophobicContact CG1-CG2 3.57Å; V88-P98 HydrophobicContact CG1-CB 3.86Å; V88-P98 HydrophobicContact CG1-CG 4.01Å
89P90.8Very high85Confident24 Ų2445.5 Ų45.516%0.15625%0.252CS..EExtended strand (participates in β ladder)trans-65145175.9-13.127.8000111.5L77 Y78 W92L77-P89 WeakPolarHBondContact O-CA 3.41Å; Y78-P89 HydrophobicContact CD1-CB 4.36Å; Y78-P89 HydrophobicContact CD1-CG 4.29Å; Y78-P89 HydrophobicContact CE1-CB 4.13Å; Y78-P89 HydrophobicContact CE1-CG 3.82Å; P89-W92 HydrophobicContact CB-CD2 3.88Å; P89-W92 HydrophobicContact CB-CG 3.98Å; P89-W92 HydrophobicContact CB-CZ2 3.8Å
90T91.9Very high84.9Confident13 Ų1348.7 Ų48.78%0.0826%0.262CS..SBendtrans-80.9-39.6-176.3-46.60000112.1G76 L77 Y78 E79 M396 L400G76-T90 PolarHBondContact O-OG1 3.38Å; L77-T90 PolarHBondContact O-N 3.29Å; L77-T90 PolarHBondContact O-OG1 3.49Å; Y78-T90 WeakPolarHBondContact CA-OG1 3.34Å; Y78-T90 PolarHBondContact N-OG1 2.86Å; Y78-T90 VanDerWaalsContact N-OG1 3.16Å; E79-T90 HydrophobicContact CG-CG2 4.15Å; T90-M396 WeakPolarHBondContact O-CE 3.37Å; T90-L400 HydrophobicContact CG2-CD1 3.33Å
91Y91Very high84.9Confident3 Ų348.8 Ų48.81%0.01226%0.262CS..SBendtrans-100.4-23.7-167.3-63.1-78.3000114.8G76 L77 L333 R392 L393 M396 F397 L400G76-Y91 WeakPolarHBondContact O-CE2 3.36Å; L77-Y91 HydrophobicContact CD2-CD2 4.09Å; L77-Y91 HydrophobicContact CD2-CE2 4.04Å; Y91-L333 HydrophobicContact CD1-CD1 3.94Å; Y91-L333 HydrophobicContact CD1-CD2 4.32Å; Y91-L333 HydrophobicContact CD2-CD2 3.55Å; Y91-L333 HydrophobicContact CE1-CD1 4.07Å; Y91-L333 HydrophobicContact CE2-CD2 3.93Å; Y91-L333 HydrophobicContact CG-CD1 4.2Å; Y91-L333 HydrophobicContact CG-CD2 3.77Å; Y91-R392 PolarHBondContact O-NH1 3.06Å; Y91-R392 PolarHBondContact O-NH2 3.31Å; Y91-L393 WeakPolarHBondContact O-CD2 3.35Å; Y91-M396 HydrophobicContact CD1-CB 4.22Å; Y91-M396 HydrophobicContact CE1-CB 4.28Å; Y91-F397 HydrophobicContact CE1-CB 3.88Å; Y91-L400 HydrophobicContact CE1-CD1 3.96Å; Y91-L400 HydrophobicContact CE2-CD1 4.49Å; Y91-L400 WeakPolarHBondContact OH-CD1 3.44Å
92W86.1Confident85Confident22 Ų2247.2 Ų47.28%0.08325%0.254CS..SBendtrans-125.7151.2-176.355.388.4000110.7L77 Y78 P89 L302 L333 P334L77-W92 HydrophobicContact CB-CH2 4.42Å; L77-W92 HydrophobicContact CD2-CH2 4.06Å; L77-W92 HydrophobicContact CD2-CZ3 4.21Å; Y78-W92 HydrophobicContact CE2-CZ2 4.31Å; P89-W92 HydrophobicContact CB-CD2 3.88Å; P89-W92 HydrophobicContact CB-CG 3.98Å; P89-W92 HydrophobicContact CB-CZ2 3.8Å; W92-L302 HydrophobicContact CD2-CD1 3.89Å; W92-L302 HydrophobicContact CE3-CD1 4.33Å; W92-L302 HydrophobicContact CG-CD1 4.4Å; W92-L302 HydrophobicContact CG-CD2 4.5Å; W92-L302 HydrophobicContact CH2-CD1 4.25Å; W92-L302 HydrophobicContact CZ2-CD1 3.75Å; W92-L333 HydrophobicContact CZ3-CD2 4.29Å; W92-P334 HydrophobicContact CE3-CG 4.01Å; W92-P334 HydrophobicContact CZ3-CG 4.44Å
93P76.4Confident85.3Confident53 Ų5349 Ų4934%0.34426%0.26SS..  trans-62.7151.2-177.225.1-34000112.4E95P93-E95 PolarHBondContact O-N 3.39Å
94V69.7Low85.6Confident65 Ų6544.5 Ų44.539%0.39424%0.236SC..  trans-77.296.5173.3179.90000108.2V88 R96 P98V88-V94 HydrophobicContact CB-CG2 3.55Å; V88-V94 HydrophobicContact CG1-CG2 3.57Å; V94-R96 WeakPolarHBondContact CG1-O 3.42Å; V94-P98 HydrophobicContact CG1-CG 4.21Å
95E62.4Low85.9Confident77 Ų7742.7 Ų42.736%0.3622%0.217SC..  trans-82.3-28.3175.7-66.9-166.7176.900113.2P93 T298 N299P93-E95 PolarHBondContact O-N 3.39Å; E95-T298 WeakPolarHBondContact OE1-CB 3.4Å; E95-T298 WeakPolarHBondContact OE2-CB 3.18Å; E95-T298 PolarHBondContact OE2-OG1 2.76Å; E95-N299 PolarHBondContact OE2-ND2 3.49Å
96R62.6Low86.1Confident158 Ų15839.7 Ų39.760%0.59621%0.206SC*.SBendtrans-117.3157.7-179.4-59.8-174-167.1-165.33.3109.6V94V94-R96 WeakPolarHBondContact CG1-O 3.42Å
97C69Low86.2Confident118 Ų11838.9 Ų38.980%0.79720%0.2SC*.SBendtrans-38.9131.2177.8-60.50000111.4
98P82.6Confident86.2Confident58 Ų5841.3 Ų41.338%0.37721%0.209SC..  trans-45.2142.9177.9-31.435.8000112.3C86 V88 V94 R100C86-P98 HydrophobicContact CB-CB 3.44Å; C86-P98 VanDerWaalsContact CB-CB 3.44Å; C86-P98 VanDerWaalsContact SG-CB 3.5Å; V88-P98 HydrophobicContact CG1-CB 3.86Å; V88-P98 HydrophobicContact CG1-CG 4.01Å; V94-P98 HydrophobicContact CG1-CG 4.21Å; P98-R100 PolarHBondContact O-N 3.25Å; P98-R100 VanDerWaalsContact O-N 3.14Å
99T88.1Confident86Confident32 Ų3244 Ų4420%0.19622%0.22CC..EExtended strand (participates in β ladder)trans-69.1116-177.6-65.30000108.5Y16 R17 C86 C87 I101Y16-T99 HydrophobicContact CD2-CG2 4.32Å; R17-T99 WeakPolarHBondContact O-CG2 3.39Å; C86-T99 CarbonylContact C-O 3.07Å; C86-T99 WeakPolarHBondContact CA-O 3.45Å; C86-T99 WeakPolarHBondContact CB-O 3.43Å; C87-T99 PolarHBondContact N-O 2.68Å; C87-T99 PolarHBondContact O-N 3.34Å; T99-I101 PolarHBondContact O-N 3.31Å
100R92.1Very high85.5Confident119 Ų11943.9 Ų43.945%0.44922%0.224SC..EExtended strand (participates in β ladder)trans-60138.8179.8-70.4-177.162.7-158.7-7.3110.8Y16 R17 W24 R85 P98Y16-R100 WeakPolarHBondContact CA-O 3.37Å; R17-R100 HydrophobicContact CB-CB 4.44Å; R17-R100 PolarHBondContact N-O 3.36Å; W24-R100 HydrophobicContact CH2-CB 4.04Å; W24-R100 HydrophobicContact CZ3-CB 4.47Å; W24-R100 WeakPolarHBondContact CZ3-O 3.5Å; R85-R100 WeakPolarHBondContact O-CA 3.27Å; P98-R100 PolarHBondContact O-N 3.25Å; P98-R100 VanDerWaalsContact O-N 3.14Å
101I94.9Very high84.7Confident1 Ų154.2 Ų54.21%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-111.7156.4168.167.8179.6000109.9W14 F15 F27 A80 R85 C87 T99W14-I101 HydrophobicContact CE3-CD1 4.21Å; W14-I101 HydrophobicContact CE3-CG1 4.47Å; W14-I101 HydrophobicContact CZ3-CD1 4Å; W14-I101 HydrophobicContact CZ3-CG1 4.31Å; F15-I101 CarbonylContact O-C 3.58Å; F15-I101 WeakPolarHBondContact O-CA 3.21Å; F15-I101 WeakPolarHBondContact O-CB 3.43Å; F27-I101 HydrophobicContact CE2-CB 4.26Å; F27-I101 HydrophobicContact CE2-CG2 3.82Å; F27-I101 HydrophobicContact CZ-CG2 3.77Å; A80-I101 HydrophobicContact CB-CD1 4.13Å; R85-I101 VanDerWaalsContact C-CG1 3.49Å; R85-I101 PolarHBondContact O-N 2.8Å; C87-I101 HydrophobicContact CB-CG2 3.98Å; T99-I101 PolarHBondContact O-N 3.31Å
102L94.6Very high84Confident0 Ų058.2 Ų58.20%031%0.305CS..EExtended strand (participates in β ladder)trans-141.7134.6-175.4178.980.4000109.8W14 F15 W24 P117 E121W14-L102 CarbonylContact C-O 3.56Å; W14-L102 WeakPolarHBondContact CA-O 3.24Å; F15-L102 HydrophobicContact CB-CB 4.4Å; F15-L102 PolarHBondContact N-O 2.64Å; F15-L102 PolarHBondContact O-N 2.97Å; W24-L102 HydrophobicContact CD2-CB 4.28Å; W24-L102 HydrophobicContact CD2-CD2 3.89Å; W24-L102 HydrophobicContact CE3-CB 3.84Å; W24-L102 HydrophobicContact CE3-CD2 4.29Å; W24-L102 HydrophobicContact CG-CD2 4.3Å; W24-L102 HydrophobicContact CH2-CB 3.52Å; W24-L102 HydrophobicContact CH2-CD2 4.34Å; W24-L102 HydrophobicContact CH2-CG 4.38Å; W24-L102 HydrophobicContact CZ2-CB 3.97Å; W24-L102 HydrophobicContact CZ2-CD1 4.45Å; W24-L102 HydrophobicContact CZ2-CD2 3.93Å; W24-L102 HydrophobicContact CZ2-CG 4.37Å; W24-L102 HydrophobicContact CZ3-CB 3.44Å; W24-L102 VanDerWaalsContact CZ3-CB 3.44Å; W24-L102 HydrophobicContact CZ3-CD2 4.5Å; L102-P117 HydrophobicContact CD2-CB 3.59Å; L102-P117 HydrophobicContact CD2-CG 3.51Å; L102-E121 HydrophobicContact CD1-CG 3.39Å; L102-E121 WeakPolarHBondContact CD1-OE1 3.47Å
103R95.7Very high83.5Confident41 Ų4159.3 Ų59.316%0.15532%0.323CS..EExtended strand (participates in β ladder)trans-86.9113.5173-176177178.1-93.4-2.8110.3V12 W14 E36 E121V12-R103 HydrophobicContact CG1-CG 4.04Å; W14-R103 HydrophobicContact CD2-CB 4.23Å; W14-R103 HydrophobicContact CD2-CG 4.44Å; W14-R103 HydrophobicContact CE3-CB 4.19Å; W14-R103 HydrophobicContact CH2-CB 3.93Å; W14-R103 HydrophobicContact CH2-CG 4.35Å; W14-R103 HydrophobicContact CZ2-CB 3.93Å; W14-R103 HydrophobicContact CZ2-CG 3.85Å; W14-R103 HydrophobicContact CZ3-CB 4.06Å; E36-R103 IonicContact OE1-CZ 2.89Å; E36-R103 IonicContact OE1-NE 3.29Å; E36-R103 IonicContact OE1-NH2 3.38Å; E36-R103 PolarHBondContact OE1-NH2 2.68Å; E36-R103 IonicContact OE2-CZ 3.99Å; E36-R103 IonicContact OE2-NE 2.67Å; E36-R103 PolarHBondContact OE2-NE 3.43Å; E36-R103 IonicContact OE2-NH2 3.42Å; R103-E121 PolarHBondContact N-OE1 2.78Å
104G94.9Very high83.8Confident1 Ų159.1 Ų59.11%0.0132%0.321CS..EExtended strand (participates in β ladder)trans-96.1112.8179.900000113.3R13 F107R13-G104 PolarHBondContact N-O 3.01Å; R13-G104 VanDerWaalsContact O-CA 3.25Å; R13-G104 WeakPolarHBondContact O-CA 3.47Å; R13-G104 PolarHBondContact O-N 3.1Å; G104-F107 VanDerWaalsContact C-CZ 3.5Å; G104-F107 WeakPolarHBondContact O-CZ 3.37Å
105T95Very high84.6Confident5 Ų557.1 Ų57.13%0.03131%0.308CS..SBendtrans-114.1-30.4172.150.60000113.3L7 V12 G268L7-T105 HydrophobicContact CD1-CG2 4.05Å; V12-T105 HydrophobicContact CG1-CG2 4.48Å; V12-T105 HydrophobicContact CG2-CG2 4.39Å; T105-G268 PolarHBondContact O-N 2.8Å
106W94.8Very high86Confident1 Ų157.8 Ų57.80%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-122.5142.5176.6-73.990.5000109.5F118 L127 E128 Y131 L241 L265 R267W106-F118 HydrophobicContact CB-CD2 3.89Å; W106-F118 HydrophobicContact CB-CE2 3.96Å; W106-F118 WeakPolarHBondContact O-CD2 3.35Å; W106-L127 HydrophobicContact CB-CD2 4.17Å; W106-L127 HydrophobicContact CD2-CD2 3.52Å; W106-L127 HydrophobicContact CD2-CG 3.91Å; W106-L127 HydrophobicContact CE3-CD2 3.77Å; W106-L127 HydrophobicContact CE3-CG 4.37Å; W106-L127 HydrophobicContact CG-CD2 3.71Å; W106-L127 HydrophobicContact CG-CG 4.24Å; W106-L127 HydrophobicContact CZ2-CG 4.14Å; W106-L127 HydrophobicContact CZ3-CD2 4.37Å; W106-E128 PolarHBondContact NE1-OE2 3.41Å; W106-Y131 AromaticContact CH2-CD2 3.79Å; W106-Y131 HydrophobicContact CH2-CD2 3.79Å; W106-Y131 HydrophobicContact CH2-CE2 4.28Å; W106-Y131 AromaticContact CH2-CG 3.93Å; W106-Y131 HydrophobicContact CH2-CG 3.93Å; W106-Y131 HydrophobicContact CZ2-CD1 4.19Å; W106-Y131 HydrophobicContact CZ2-CD2 4.12Å; W106-Y131 AromaticContact CZ2-CG 3.76Å; W106-Y131 HydrophobicContact CZ2-CG 3.76Å; W106-L241 HydrophobicContact CH2-CD2 3.63Å; W106-L241 HydrophobicContact CZ3-CD2 3.73Å; W106-L265 HydrophobicContact CE3-CB 4.3Å; W106-L265 HydrophobicContact CZ3-CB 4.48Å; W106-R267 HydrophobicContact CD2-CB 4.37Å; W106-R267 HydrophobicContact CD2-CG 4.23Å; W106-R267 HydrophobicContact CE3-CB 3.97Å; W106-R267 HydrophobicContact CE3-CG 4.32Å; W106-R267 HydrophobicContact CH2-CB 3.67Å; W106-R267 HydrophobicContact CH2-CG 3.75Å; W106-R267 HydrophobicContact CZ2-CB 4.06Å; W106-R267 HydrophobicContact CZ2-CG 3.61Å; W106-R267 HydrophobicContact CZ3-CB 3.61Å; W106-R267 HydrophobicContact CZ3-CG 4.1Å
107F94Very high87.4Confident0 Ų050.5 Ų50.50%028%0.284CS..EExtended strand (participates in β ladder)trans-133.1144.4-173.8-59.1-84.1000111.3R13 F15 G104 L115 E116 P117 L265 C266 G268 F269R13-F107 HydrophobicContact CB-CZ 4.21Å; F15-F107 AromaticContact CE2-CE1 3.44Å; F15-F107 HydrophobicContact CE2-CE1 3.44Å; F15-F107 VanDerWaalsContact CE2-CE1 3.44Å; F15-F107 AromaticContact CE2-CZ 3.9Å; F15-F107 HydrophobicContact CE2-CZ 3.9Å; F15-F107 HydrophobicContact CZ-CD1 4.35Å; F15-F107 AromaticContact CZ-CE1 3.46Å; F15-F107 HydrophobicContact CZ-CE1 3.46Å; F15-F107 VanDerWaalsContact CZ-CE1 3.46Å; F15-F107 HydrophobicContact CZ-CZ 4.2Å; G104-F107 VanDerWaalsContact C-CZ 3.5Å; G104-F107 WeakPolarHBondContact O-CZ 3.37Å; F107-L115 HydrophobicContact CB-CB 3.95Å; F107-L115 HydrophobicContact CB-CD1 4.28Å; F107-L115 HydrophobicContact CB-CD2 3.98Å; F107-L115 HydrophobicContact CB-CG 4.29Å; F107-L115 HydrophobicContact CD1-CB 4.08Å; F107-L115 HydrophobicContact CG-CB 4.15Å; F107-L115 HydrophobicContact CG-CD1 4.3Å; F107-E116 CarbonylContact C-O 3.51Å; F107-E116 VanDerWaalsContact CA-O 3.27Å; F107-E116 WeakPolarHBondContact CA-O 3.25Å; F107-P117 HydrophobicContact CD1-CB 4.1Å; F107-P117 HydrophobicContact CE1-CB 3.84Å; F107-L265 CarbonylContact O-C 3.57Å; F107-L265 VanDerWaalsContact O-CA 3.29Å; F107-L265 WeakPolarHBondContact O-CA 3.41Å; F107-C266 HydrophobicContact CB-CB 4.37Å; F107-C266 PolarHBondContact N-O 3.45Å; F107-C266 PolarHBondContact O-N 2.99Å; F107-G268 WeakPolarHBondContact CD2-O 3.12Å; F107-G268 VanDerWaalsContact CE2-C 3.42Å; F107-G268 WeakPolarHBondContact CE2-O 3.47Å; F107-F269 AromaticContact CD1-CD2 3.99Å; F107-F269 HydrophobicContact CD1-CD2 3.99Å; F107-F269 HydrophobicContact CD1-CE2 4.36Å; F107-F269 HydrophobicContact CD2-CD2 4.36Å; F107-F269 AromaticContact CE1-CD2 3.57Å; F107-F269 HydrophobicContact CE1-CD2 3.57Å; F107-F269 HydrophobicContact CE1-CE2 4.1Å; F107-F269 HydrophobicContact CE2-CB 3.96Å; F107-F269 AromaticContact CE2-CD2 3.97Å; F107-F269 HydrophobicContact CE2-CD2 3.97Å; F107-F269 HydrophobicContact CE2-CG 4.49Å; F107-F269 HydrophobicContact CG-CD2 4.37Å; F107-F269 HydrophobicContact CZ-CB 4.04Å; F107-F269 AromaticContact CZ-CD2 3.55Å; F107-F269 HydrophobicContact CZ-CD2 3.55Å; F107-F269 HydrophobicContact CZ-CE2 4.5Å; F107-F269 HydrophobicContact CZ-CG 4.25Å
108R91.9Very high88.5Confident53 Ų5345 Ų4520%0.225%0.247CC..EExtended strand (participates in β ladder)trans-94.8132170.3-59.8170.9-166.2166.11.6107.9G110 E116 F118 Y245 T263 L265R108-G110 PolarHBondContact O-N 3.27Å; R108-E116 PolarHBondContact N-O 3.36Å; R108-E116 PolarHBondContact O-N 3.09Å; R108-F118 HydrophobicContact CG-CD2 4.31Å; R108-F118 HydrophobicContact CG-CE2 3.74Å; R108-F118 HydrophobicContact CG-CZ 3.9Å; R108-Y245 PolarHBondContact NH1-OH 3.44Å; R108-Y245 VanDerWaalsContact NH1-OH 3.13Å; R108-Y245 PolarHBondContact NH2-OH 2.84Å; R108-T263 HydrophobicContact CB-CG2 3.97Å; R108-L265 HydrophobicContact CB-CD2 4.49Å; R108-L265 HydrophobicContact CG-CD2 3.85Å
109E87.7Confident88.7Confident80 Ų8046 Ų4637%0.37425%0.248SC..EExtended strand (participates in β ladder)trans-75.6108.9172.9-167.5169-160.400109.3R264E109-R264 HydrophobicContact CB-CB 4.43Å; E109-R264 PolarHBondContact N-O 2.68Å; E109-R264 WeakPolarHBondContact OE2-CD 3.47Å; E109-R264 IonicContact OE2-NH1 3.13Å
110G80.1Confident88.7Confident22 Ų2248.3 Ų48.323%0.22726%0.26CS..  trans-88.1-179.3177.300000112.9R108 G112 G113 T114R108-G110 PolarHBondContact O-N 3.27Å; G110-G112 PolarHBondContact O-N 3.27Å; G110-G113 PolarHBondContact O-N 3.44Å; G110-T114 WeakPolarHBondContact CA-O 3.46Å; G110-T114 PolarHBondContact N-O 3.04Å
111Y75Confident88.5Confident229 Ų22944.3 Ų44.390%0.89825%0.246SC*.G310 helixtrans-59.8138.4175.1-72.3-83.6000110.9G113 T114Y111-G113 VanDerWaalsContact C-N 3.31Å; Y111-G113 PolarHBondContact O-N 3.41Å; Y111-T114 PolarHBondContact O-OG1 3.25Å
112G75.7Confident88.2Confident88 Ų8849.8 Ų49.891%0.90728%0.275SS*.G310 helixtrans72.418179.700000115G110 T114G110-G112 PolarHBondContact O-N 3.27Å; G112-T114 VanDerWaalsContact C-N 3.28Å; G112-T114 PolarHBondContact O-N 2.71Å
113G76.6Confident88Confident44 Ų4450.5 Ų50.545%0.45428%0.279SS..G310 helixtrans77.212.5179.400000114.1G110 Y111 L115G110-G113 PolarHBondContact O-N 3.44Å; Y111-G113 VanDerWaalsContact C-N 3.31Å; Y111-G113 PolarHBondContact O-N 3.41Å; G113-L115 PolarHBondContact O-N 3.28Å
114T83.2Confident87.9Confident49 Ų4948.8 Ų48.830%0.30127%0.273SS..PPolyproline II helixtrans-70.5129.6176.552.10000110.1G110 Y111 G112G110-T114 WeakPolarHBondContact CA-O 3.46Å; G110-T114 PolarHBondContact N-O 3.04Å; Y111-T114 PolarHBondContact O-OG1 3.25Å; G112-T114 VanDerWaalsContact C-N 3.28Å; G112-T114 PolarHBondContact O-N 2.71Å
115L86.9Confident87.7Confident24 Ų2452.1 Ų52.113%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-91.1119.1175.6-70.8-174000110.1F107 G113 C266 F269 N270F107-L115 HydrophobicContact CB-CB 3.95Å; F107-L115 HydrophobicContact CB-CD1 4.28Å; F107-L115 HydrophobicContact CB-CD2 3.98Å; F107-L115 HydrophobicContact CB-CG 4.29Å; F107-L115 HydrophobicContact CD1-CB 4.08Å; F107-L115 HydrophobicContact CG-CB 4.15Å; F107-L115 HydrophobicContact CG-CD1 4.3Å; G113-L115 PolarHBondContact O-N 3.28Å; L115-C266 HydrophobicContact CD2-CB 4.12Å; L115-F269 HydrophobicContact CB-CD2 4.36Å; L115-F269 HydrophobicContact CB-CE2 3.9Å; L115-F269 HydrophobicContact CD1-CD2 3.97Å; L115-F269 HydrophobicContact CD1-CE2 4.13Å; L115-N270 HydrophobicContact CD1-CB 3.93Å
116E89.9Confident87.5Confident91 Ų9157.3 Ų57.343%0.42531%0.307SS..EExtended strand (participates in β ladder)trans-103.8124.6176.8-64.5-172.5161.900110.3F107 R108F107-E116 CarbonylContact C-O 3.51Å; F107-E116 VanDerWaalsContact CA-O 3.27Å; F107-E116 WeakPolarHBondContact CA-O 3.25Å; R108-E116 PolarHBondContact N-O 3.36Å; R108-E116 PolarHBondContact O-N 3.09Å
117P93.5Very high87.4Confident5 Ų557.2 Ų57.23%0.03231%0.307CS..EExtended strand (participates in β ladder)trans-68.3157.817631.3-36.3000110.8F15 W24 L102 F107 D119F15-P117 HydrophobicContact CD1-CG 4.01Å; F15-P117 HydrophobicContact CD2-CB 4.14Å; F15-P117 HydrophobicContact CD2-CG 3.96Å; F15-P117 HydrophobicContact CE1-CG 4.18Å; F15-P117 HydrophobicContact CE2-CB 4.12Å; F15-P117 HydrophobicContact CE2-CG 4.16Å; F15-P117 HydrophobicContact CG-CG 3.92Å; F15-P117 HydrophobicContact CZ-CG 4.27Å; W24-P117 HydrophobicContact CB-CG 3.88Å; W24-P117 HydrophobicContact CG-CG 3.92Å; L102-P117 HydrophobicContact CD2-CB 3.59Å; L102-P117 HydrophobicContact CD2-CG 3.51Å; F107-P117 HydrophobicContact CD1-CB 4.1Å; F107-P117 HydrophobicContact CE1-CB 3.84Å; P117-D119 PolarHBondContact O-N 3.42Å
118F90.9Very high87.4Confident3 Ų358.3 Ų58.31%0.01331%0.312CS..PPolyproline II helixtrans-72.4118.9170.7-79.8-108.6000110.3W106 R108 D120 M123 A124 L243 L265W106-F118 HydrophobicContact CB-CD2 3.89Å; W106-F118 HydrophobicContact CB-CE2 3.96Å; W106-F118 WeakPolarHBondContact O-CD2 3.35Å; R108-F118 HydrophobicContact CG-CD2 4.31Å; R108-F118 HydrophobicContact CG-CE2 3.74Å; R108-F118 HydrophobicContact CG-CZ 3.9Å; F118-D120 PolarHBondContact O-N 3.26Å; F118-M123 HydrophobicContact CD1-CE 4.3Å; F118-M123 HydrophobicContact CD1-CG 4.21Å; F118-M123 HydrophobicContact CD1-SD 3.53Å; F118-M123 VanDerWaalsContact CD1-SD 3.53Å; F118-M123 HydrophobicContact CE1-CE 3.69Å; F118-M123 HydrophobicContact CE1-CG 4.41Å; F118-M123 HydrophobicContact CE1-SD 3.54Å; F118-M123 VanDerWaalsContact CE1-SD 3.54Å; F118-A124 HydrophobicContact CB-CB 4.14Å; F118-L243 HydrophobicContact CE1-CD2 3.92Å; F118-L243 HydrophobicContact CZ-CD2 3.98Å; F118-L265 HydrophobicContact CE2-CD1 4.42Å; F118-L265 HydrophobicContact CE2-CD2 3.82Å; F118-L265 HydrophobicContact CZ-CD1 3.95Å; F118-L265 HydrophobicContact CZ-CD2 3.61Å; F118-L265 HydrophobicContact CZ-CG 4.44Å
119D88.3Confident87.3Confident77 Ų7758.4 Ų58.441%0.41232%0.324SS..SBendtrans-58.8-28.7173.9-76.323.1000113.6W24 P117W24-D119 VanDerWaalsContact CD1-OD1 3.29Å; W24-D119 PolarHBondContact NE1-OD1 3.39Å; P117-D119 PolarHBondContact O-N 3.42Å
120D88Confident87.5Confident81 Ų8157.8 Ų57.843%0.43332%0.322SS..  trans-92.197.4175.3-176-6.3000109.5F118 L122 M123 A124F118-D120 PolarHBondContact O-N 3.26Å; D120-L122 PolarHBondContact O-N 3.04Å; D120-L122 WeakPolarHBondContact OD1-CB 3.37Å; D120-L122 PolarHBondContact OD1-N 2.98Å; D120-M123 HydrophobicContact CB-CB 3.9Å; D120-M123 WeakPolarHBondContact O-CB 3.15Å; D120-M123 PolarHBondContact O-N 3.1Å; D120-M123 PolarHBondContact OD1-N 2.87Å; D120-A124 PolarHBondContact O-N 3.23Å
121E87.5Confident88Confident35 Ų3557.3 Ų57.316%0.16431%0.313CS..Hα-helixtrans-59.7-34.2178.3-67.5-167.7-172.900111.9R85 L102 R103 M123 A124 E125R85-E121 IonicContact CZ-OE1 3.48Å; R85-E121 IonicContact CZ-OE2 3.16Å; R85-E121 IonicContact NE-OE2 3.99Å; R85-E121 PolarHBondContact NE-OE2 3.24Å; R85-E121 IonicContact NH1-OE1 3.45Å; R85-E121 IonicContact NH1-OE2 2.66Å; R85-E121 PolarHBondContact NH1-OE2 3.08Å; R85-E121 IonicContact NH2-OE2 3.93Å; R85-E121 PolarHBondContact NH2-OE2 2.82Å; L102-E121 HydrophobicContact CD1-CG 3.39Å; L102-E121 WeakPolarHBondContact CD1-OE1 3.47Å; R103-E121 PolarHBondContact N-OE1 2.78Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 2.9Å; E121-A124 PolarHBondContact O-N 2.86Å; E121-E125 WeakPolarHBondContact O-CB 3.45Å; E121-E125 VanDerWaalsContact O-CG 3.29Å; E121-E125 WeakPolarHBondContact O-CG 3.15Å; E121-E125 PolarHBondContact O-N 2.91Å
122L88.4Confident88.6Confident117 Ų11748.3 Ų48.361%0.61328%0.28SS*.Hα-helixtrans-67.1-37.9179.2-63.9172.2000111.2D120 R126D120-L122 PolarHBondContact O-N 3.04Å; D120-L122 WeakPolarHBondContact OD1-CB 3.37Å; D120-L122 PolarHBondContact OD1-N 2.98Å; L122-R126 VanDerWaalsContact O-CB 3.29Å; L122-R126 WeakPolarHBondContact O-CB 3.23Å; L122-R126 PolarHBondContact O-N 2.85Å
123M90.7Very high89.2Confident15 Ų1546.8 Ų46.87%0.07425%0.253CS..Hα-helixtrans-62.6-45.4173.3-173.5-175.4-176.800110.9F118 D120 E121 R126 L127 F228 C231 L243F118-M123 HydrophobicContact CD1-CE 4.3Å; F118-M123 HydrophobicContact CD1-CG 4.21Å; F118-M123 HydrophobicContact CD1-SD 3.53Å; F118-M123 VanDerWaalsContact CD1-SD 3.53Å; F118-M123 HydrophobicContact CE1-CE 3.69Å; F118-M123 HydrophobicContact CE1-CG 4.41Å; F118-M123 HydrophobicContact CE1-SD 3.54Å; F118-M123 VanDerWaalsContact CE1-SD 3.54Å; D120-M123 HydrophobicContact CB-CB 3.9Å; D120-M123 WeakPolarHBondContact O-CB 3.15Å; D120-M123 PolarHBondContact O-N 3.1Å; D120-M123 PolarHBondContact OD1-N 2.87Å; E121-M123 VanDerWaalsContact C-N 3.34Å; E121-M123 PolarHBondContact O-N 2.9Å; M123-R126 PolarHBondContact O-N 2.82Å; M123-L127 VanDerWaalsContact O-CB 3.25Å; M123-L127 WeakPolarHBondContact O-CB 3.23Å; M123-L127 PolarHBondContact O-N 3.14Å; M123-F228 HydrophobicContact CB-CE1 4.4Å; M123-F228 HydrophobicContact CE-CD1 4.26Å; M123-F228 HydrophobicContact CE-CD2 3.69Å; M123-F228 HydrophobicContact CE-CE1 4.35Å; M123-F228 HydrophobicContact CE-CE2 3.8Å; M123-F228 HydrophobicContact CE-CG 3.94Å; M123-F228 HydrophobicContact CE-CZ 4.14Å; M123-F228 HydrophobicContact CG-CD1 3.82Å; M123-F228 HydrophobicContact CG-CE1 3.56Å; M123-F228 HydrophobicContact CG-CG 4.41Å; M123-F228 HydrophobicContact CG-CZ 3.96Å; M123-C231 WeakPolarHBondContact CE-SG 3.22Å; M123-L243 HydrophobicContact CE-CD1 3.7Å
124A92.6Very high89.7Confident5 Ų546.1 Ų46.14%0.04124%0.237CC..Hα-helixtrans-64.3-41.3178.500000112.3F118 D120 E121 L127 E128F118-A124 HydrophobicContact CB-CB 4.14Å; D120-A124 PolarHBondContact O-N 3.23Å; E121-A124 PolarHBondContact O-N 2.86Å; A124-L127 PolarHBondContact O-N 2.96Å; A124-E128 WeakPolarHBondContact O-CB 3.25Å; A124-E128 PolarHBondContact O-N 2.94Å
125E90.4Very high89.7Confident71 Ų7146.3 Ų46.333%0.33223%0.232SC..Hα-helixtrans-66-43.9176.8-74.9176173.300112.2E121 E128 A129E121-E125 WeakPolarHBondContact O-CB 3.45Å; E121-E125 VanDerWaalsContact O-CG 3.29Å; E121-E125 WeakPolarHBondContact O-CG 3.15Å; E121-E125 PolarHBondContact O-N 2.91Å; E125-E128 PolarHBondContact O-N 2.98Å; E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 3.27Å
126R92.3Very high89.6Confident113 Ų11347.4 Ų47.443%0.42624%0.24SC..Hα-helixtrans-64.4-43175.5-178.7173.4176.9-144.5-9.5111.4L122 M123 E128 A129 E130 Q227 F228L122-R126 VanDerWaalsContact O-CB 3.29Å; L122-R126 WeakPolarHBondContact O-CB 3.23Å; L122-R126 PolarHBondContact O-N 2.85Å; M123-R126 PolarHBondContact O-N 2.82Å; R126-E128 VanDerWaalsContact C-N 3.3Å; R126-E128 PolarHBondContact O-N 3.2Å; R126-A129 PolarHBondContact O-N 2.82Å; R126-E130 WeakPolarHBondContact O-CB 3.29Å; R126-E130 WeakPolarHBondContact O-CG 3.06Å; R126-E130 PolarHBondContact O-N 2.75Å; R126-Q227 PolarHBondContact NH1-O 3.44Å; R126-Q227 VanDerWaalsContact NH1-O 3.1Å; R126-Q227 PolarHBondContact NH2-O 2.92Å; R126-F228 HydrophobicContact CB-CE1 4.2Å; R126-F228 HydrophobicContact CG-CE1 4.12Å
127L92.7Very high89.3Confident0 Ų051.1 Ų51.10%025%0.25CS..Hα-helixtrans-58.9-44.3175.5179.658.3000111W106 M123 A124 Y131 I226 F228 V233 L265W106-L127 HydrophobicContact CB-CD2 4.17Å; W106-L127 HydrophobicContact CD2-CD2 3.52Å; W106-L127 HydrophobicContact CD2-CG 3.91Å; W106-L127 HydrophobicContact CE3-CD2 3.77Å; W106-L127 HydrophobicContact CE3-CG 4.37Å; W106-L127 HydrophobicContact CG-CD2 3.71Å; W106-L127 HydrophobicContact CG-CG 4.24Å; W106-L127 HydrophobicContact CZ2-CG 4.14Å; W106-L127 HydrophobicContact CZ3-CD2 4.37Å; M123-L127 VanDerWaalsContact O-CB 3.25Å; M123-L127 WeakPolarHBondContact O-CB 3.23Å; M123-L127 PolarHBondContact O-N 3.14Å; A124-L127 PolarHBondContact O-N 2.96Å; L127-Y131 VanDerWaalsContact O-CB 3.27Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 PolarHBondContact O-N 3.44Å; L127-I226 HydrophobicContact CD1-CD1 3.59Å; L127-F228 HydrophobicContact CB-CZ 4.24Å; L127-V233 HydrophobicContact CD1-CB 4.23Å; L127-V233 HydrophobicContact CD1-CG1 4.09Å; L127-V233 HydrophobicContact CD1-CG2 4.2Å; L127-L265 HydrophobicContact CD2-CD1 3.8Å
128E92.7Very high88.6Confident23 Ų2355.6 Ų55.611%0.10727%0.269CS..Hα-helixtrans-62.5-45.8176.6-177.265.6-179.600112.4W106 A124 E125 R126 E130 Y131 I132 R267W106-E128 PolarHBondContact NE1-OE2 3.41Å; A124-E128 WeakPolarHBondContact O-CB 3.25Å; A124-E128 PolarHBondContact O-N 2.94Å; E125-E128 PolarHBondContact O-N 2.98Å; R126-E128 VanDerWaalsContact C-N 3.3Å; R126-E128 PolarHBondContact O-N 3.2Å; E128-E130 PolarHBondContact O-N 2.96Å; E128-Y131 PolarHBondContact O-N 3.24Å; E128-I132 HydrophobicContact CG-CD1 3.98Å; E128-I132 WeakPolarHBondContact O-CG1 3.37Å; E128-I132 PolarHBondContact O-N 3.09Å; E128-R267 IonicContact OE1-CZ 3.74Å; E128-R267 IonicContact OE1-NE 4Å; E128-R267 PolarHBondContact OE1-NE 3.45Å; E128-R267 IonicContact OE1-NH2 2.6Å; E128-R267 PolarHBondContact OE1-NH2 3.17Å; E128-R267 IonicContact OE2-CZ 3.34Å; E128-R267 IonicContact OE2-NE 2.73Å; E128-R267 PolarHBondContact OE2-NE 2.8Å; E128-R267 IonicContact OE2-NH2 2.64Å
129A91Very high87.9Confident55 Ų5559.8 Ų59.846%0.45529%0.292SS..Hα-helixtrans-62.7-43.1179.100000112.7E125 R126 T133E125-A129 WeakPolarHBondContact O-CB 3.29Å; E125-A129 PolarHBondContact O-N 3.27Å; R126-A129 PolarHBondContact O-N 2.82Å; A129-T133 WeakPolarHBondContact O-CB 3.18Å; A129-T133 PolarHBondContact O-N 3.04Å; A129-T133 PolarHBondContact O-OG1 2.92Å
130E91Very high86.8Confident67 Ų6765 Ų6531%0.31331%0.306SS..Hα-helixtrans-66.6-41.7176.2-71.5-68.2165.200111.6R126 E128 T133 W134 I226R126-E130 WeakPolarHBondContact O-CB 3.29Å; R126-E130 WeakPolarHBondContact O-CG 3.06Å; R126-E130 PolarHBondContact O-N 2.75Å; E128-E130 PolarHBondContact O-N 2.96Å; E130-T133 PolarHBondContact O-N 2.82Å; E130-W134 WeakPolarHBondContact O-CB 3.22Å; E130-W134 PolarHBondContact O-N 2.73Å; E130-I226 HydrophobicContact CB-CD1 3.61Å; E130-I226 HydrophobicContact CB-CG1 4.04Å; E130-I226 HydrophobicContact CB-CG2 4.37Å; E130-I226 HydrophobicContact CG-CD1 4.47Å; E130-I226 HydrophobicContact CG-CG1 4.5Å; E130-I226 HydrophobicContact CG-CG2 4.08Å
131Y90.2Very high85.1Confident11 Ų1169 Ų694%0.04333%0.327CS..Hα-helixtrans-61.8-48.1176.1178.3-93000111.9W106 L127 E128 T133 W134 Y135 E238 L241 R267W106-Y131 AromaticContact CH2-CD2 3.79Å; W106-Y131 HydrophobicContact CH2-CD2 3.79Å; W106-Y131 HydrophobicContact CH2-CE2 4.28Å; W106-Y131 AromaticContact CH2-CG 3.93Å; W106-Y131 HydrophobicContact CH2-CG 3.93Å; W106-Y131 HydrophobicContact CZ2-CD1 4.19Å; W106-Y131 HydrophobicContact CZ2-CD2 4.12Å; W106-Y131 AromaticContact CZ2-CG 3.76Å; W106-Y131 HydrophobicContact CZ2-CG 3.76Å; L127-Y131 VanDerWaalsContact O-CB 3.27Å; L127-Y131 WeakPolarHBondContact O-CB 3.34Å; L127-Y131 PolarHBondContact O-N 3.44Å; E128-Y131 PolarHBondContact O-N 3.24Å; Y131-T133 VanDerWaalsContact C-N 3.3Å; Y131-T133 PolarHBondContact O-N 3.38Å; Y131-W134 HydrophobicContact CD2-CE3 4.04Å; Y131-W134 HydrophobicContact CD2-CZ3 4.15Å; Y131-W134 AromaticContact CE2-CE3 3.98Å; Y131-W134 HydrophobicContact CE2-CE3 3.98Å; Y131-W134 AromaticContact CE2-CZ3 3.64Å; Y131-W134 HydrophobicContact CE2-CZ3 3.64Å; Y131-W134 PolarHBondContact O-N 2.8Å; Y131-Y135 VanDerWaalsContact O-CB 3.31Å; Y131-Y135 WeakPolarHBondContact O-CB 3.26Å; Y131-Y135 PolarHBondContact O-N 3.27Å; Y131-E238 PolarHBondContact OH-O 2.74Å; Y131-L241 HydrophobicContact CD2-CD2 4.16Å; Y131-L241 HydrophobicContact CE2-CD1 4.28Å; Y131-R267 VanDerWaalsContact CE1-CD 3.49Å
132I88.7Confident83.1Confident41 Ų4171.8 Ų71.821%0.2135%0.347CS..Hα-helixtrans-60.6-42.7177-70.2170.5000110.5P5 E128 W134 Y135 T136P5-I132 HydrophobicContact CB-CG1 4.46Å; P5-I132 HydrophobicContact CB-CG2 4.22Å; P5-I132 HydrophobicContact CG-CG2 4.1Å; E128-I132 HydrophobicContact CG-CD1 3.98Å; E128-I132 WeakPolarHBondContact O-CG1 3.37Å; E128-I132 PolarHBondContact O-N 3.09Å; I132-W134 VanDerWaalsContact C-N 3.35Å; I132-W134 PolarHBondContact O-N 3.36Å; I132-Y135 PolarHBondContact O-N 2.81Å; I132-T136 VanDerWaalsContact O-CB 3.3Å; I132-T136 WeakPolarHBondContact O-CB 3.25Å; I132-T136 PolarHBondContact O-N 2.86Å; I132-T136 PolarHBondContact O-OG1 3.19Å
133T88.3Confident80.5Confident55 Ų5573.9 Ų73.934%0.33736%0.356SS..Hα-helixtrans-59.7-46.4177.8-62.70000111.1A129 E130 Y131 R137A129-T133 WeakPolarHBondContact O-CB 3.18Å; A129-T133 PolarHBondContact O-N 3.04Å; A129-T133 PolarHBondContact O-OG1 2.92Å; E130-T133 PolarHBondContact O-N 2.82Å; Y131-T133 VanDerWaalsContact C-N 3.3Å; Y131-T133 PolarHBondContact O-N 3.38Å; T133-R137 WeakPolarHBondContact O-CB 3.43Å; T133-R137 VanDerWaalsContact O-CG 3.28Å; T133-R137 WeakPolarHBondContact O-CG 3.38Å; T133-R137 PolarHBondContact O-N 2.7Å
134W86.2Confident77.9Confident30 Ų3083.7 Ų83.711%0.11439%0.393CS..Hα-helixtrans-65.6-47.5176.8168.381.7000113.2E130 Y131 I132 T136 R137 K138 C223 Q224 E238E130-W134 WeakPolarHBondContact O-CB 3.22Å; E130-W134 PolarHBondContact O-N 2.73Å; Y131-W134 HydrophobicContact CD2-CE3 4.04Å; Y131-W134 HydrophobicContact CD2-CZ3 4.15Å; Y131-W134 AromaticContact CE2-CE3 3.98Å; Y131-W134 HydrophobicContact CE2-CE3 3.98Å; Y131-W134 AromaticContact CE2-CZ3 3.64Å; Y131-W134 HydrophobicContact CE2-CZ3 3.64Å; Y131-W134 PolarHBondContact O-N 2.8Å; I132-W134 VanDerWaalsContact C-N 3.35Å; I132-W134 PolarHBondContact O-N 3.36Å; W134-T136 VanDerWaalsContact C-N 3.32Å; W134-T136 PolarHBondContact O-N 2.86Å; W134-R137 PolarHBondContact O-N 3.46Å; W134-K138 HydrophobicContact CH2-CD 4.35Å; W134-K138 HydrophobicContact CZ2-CD 4.13Å; W134-K138 WeakPolarHBondContact O-CB 3.34Å; W134-K138 PolarHBondContact O-N 3.21Å; W134-C223 HydrophobicContact CZ2-CB 4.45Å; W134-Q224 VanDerWaalsContact CD1-OE1 3.31Å; W134-E238 HydrophobicContact CH2-CG 4Å; W134-E238 HydrophobicContact CZ3-CG 4.23Å
135Y84.6Confident75.2Confident53 Ų5390.6 Ų90.621%0.20843%0.429CS..Hα-helixtrans-59.7-43.5179-174-92.7000111.3P5 Y131 I132 K138 N139 E238P5-Y135 HydrophobicContact CB-CD1 3.83Å; P5-Y135 HydrophobicContact CB-CE1 4.24Å; Y131-Y135 VanDerWaalsContact O-CB 3.31Å; Y131-Y135 WeakPolarHBondContact O-CB 3.26Å; Y131-Y135 PolarHBondContact O-N 3.27Å; I132-Y135 PolarHBondContact O-N 2.81Å; Y135-K138 PolarHBondContact O-N 2.8Å; Y135-N139 WeakPolarHBondContact CE1-ND2 3.47Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 2.88Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; Y135-E238 HydrophobicContact CD2-CG 4.3Å; Y135-E238 HydrophobicContact CE2-CG 4.19Å
136T84.9Confident72.3Confident48 Ų4896.7 Ų96.729%0.29445%0.454SS..Hα-helixtrans-64.6-41.3176.4-53.50000112I132 W134 N139 R140I132-T136 VanDerWaalsContact O-CB 3.3Å; I132-T136 WeakPolarHBondContact O-CB 3.25Å; I132-T136 PolarHBondContact O-N 2.86Å; I132-T136 PolarHBondContact O-OG1 3.19Å; W134-T136 VanDerWaalsContact C-N 3.32Å; W134-T136 PolarHBondContact O-N 2.86Å; T136-N139 PolarHBondContact O-N 2.8Å; T136-R140 PolarHBondContact O-N 3.48Å; T136-R140 VanDerWaalsContact O-N 3.07Å
137R83.5Confident69.6Low168 Ų16896.8 Ų96.863%0.63447%0.47SS*.Hα-helixtrans-64.6-42.1175.8-77.5175.5-176.8164.84.4112.2T133 W134 N139 R140T133-R137 WeakPolarHBondContact O-CB 3.43Å; T133-R137 VanDerWaalsContact O-CG 3.28Å; T133-R137 WeakPolarHBondContact O-CG 3.38Å; T133-R137 PolarHBondContact O-N 2.7Å; W134-R137 PolarHBondContact O-N 3.46Å; R137-N139 VanDerWaalsContact C-N 3.29Å; R137-N139 PolarHBondContact O-N 2.74Å; R137-R140 PolarHBondContact O-N 2.94Å
138K78.9Confident66.6Low100 Ų100104.7 Ų104.744%0.43551%0.511SS..Hα-helixtrans-61.7-37.7178.5-173.1-172.1174.2-165.60111.9W134 Y135 E238W134-K138 HydrophobicContact CH2-CD 4.35Å; W134-K138 HydrophobicContact CZ2-CD 4.13Å; W134-K138 WeakPolarHBondContact O-CB 3.34Å; W134-K138 PolarHBondContact O-N 3.21Å; Y135-K138 PolarHBondContact O-N 2.8Å; K138-E238 IonicContact NZ-OE1 3.72Å; K138-E238 PolarHBondContact NZ-OE1 3.27Å
139N74.4Confident63.5Low90 Ų90114.9 Ų114.948%0.48155%0.55SS.*Hα-helixtrans-85.6-19.8-178-69.7-16.5000113.9Y135 T136 R137 N141Y135-N139 WeakPolarHBondContact CE1-ND2 3.47Å; Y135-N139 VanDerWaalsContact CZ-ND2 3.33Å; Y135-N139 PolarHBondContact O-N 2.88Å; Y135-N139 VanDerWaalsContact O-N 3.13Å; T136-N139 PolarHBondContact O-N 2.8Å; R137-N139 VanDerWaalsContact C-N 3.29Å; R137-N139 PolarHBondContact O-N 2.74Å; N139-N141 PolarHBondContact O-N 3.32Å
140R66.2Low60.7Low186 Ų186117 Ų11770%0.70256%0.562SS**  trans-91.997.9171.4-72.9-174.7178.9-177.81.2110T136 R137 V142T136-R140 PolarHBondContact O-N 3.48Å; T136-R140 VanDerWaalsContact O-N 3.07Å; R137-R140 PolarHBondContact O-N 2.94Å; R140-V142 PolarHBondContact O-N 3.31Å
141N52Low57.7Low165 Ų165119.4 Ų119.488%0.88259%0.586SS**  trans-64.539.6170.9-85.4-29.9000114.4N139N139-N141 PolarHBondContact O-N 3.32Å
142V44.8Very low55Low95 Ų95123 Ų12358%0.57661%0.613SS**  trans-126.7114.7-178.6-175.10000110.2R140 W144R140-V142 PolarHBondContact O-N 3.31Å; V142-W144 PolarHBondContact O-N 2.63Å
143I35.2Very low52.3Low160 Ų160125.5 Ų125.582%0.82163%0.634SS**  trans-58.4114.8171.5-61.2165.5000108.3
144W35.1Very low49.7Very low222 Ų222130.6 Ų130.684%0.84166%0.658SS**  trans-116.8121.2161.8-73.689.3000108.1V142V142-W144 PolarHBondContact O-N 2.63Å
145D35.9Very low47.3Very low149 Ų149136.4 Ų136.480%0.79769%0.685SS**  trans-57.7136.8168.3-77.3-42.7000110.2
146K30.8Very low44.7Very low199 Ų199139.7 Ų139.787%0.86571%0.71SS**  trans-8.5123.2176.5-74.5175.1173.6175.10116.6
147P35Very low42.1Very low115 Ų115148.4 Ų148.475%0.74774%0.738SS**  trans-88.5129.7151.6-4.123.3000110
148L29.7Very low39.6Very low167 Ų167148.3 Ų148.387%0.87475%0.748SS**  trans-51.2148.1169.7-71.7130.6000112.2S150L148-S150 PolarHBondContact O-N 3.05Å
149Y27.3Very low37.2Very low236 Ų236150.7 Ų150.793%0.92577%0.766SS**  trans-41.3126.1162.1-96-101.8000111.4
150S32.2Very low35.1Very low99 Ų99152.5 Ų152.569%0.69278%0.78SS**  trans-152.8101150.5-178.70000109L148 S152L148-S150 PolarHBondContact O-N 3.05Å; S150-S152 PolarHBondContact O-N 2.65Å
151S27.9Very low33.5Very low118 Ų118148.2 Ų148.283%0.82578%0.778SS**  trans-64.2109.4162.348.70000109.6
152S33Very low32.6Very low86 Ų86147.1 Ų147.160%0.60178%0.778SS**  trans-149.483.5168.648.50000106.7S150S150-S152 PolarHBondContact O-N 2.65Å
153S31.6Very low32Very low95 Ų95148 Ų14866%0.66479%0.785SS**  57.985.988.480.20000113.4
154L34.6Very low31.9Very low162 Ų162148 Ų14885%0.84879%0.786SS**SBendtrans-135.2122.5151.5-73173.3000106.1
155F35.4Very low31.8Very low151 Ų151145.3 Ų145.366%0.66278%0.782SS**SBendtrans83.452.5-172.2-68-84.8000118.4
156T30.2Very low31.6Very low122 Ų122142.6 Ų142.675%0.74878%0.775SS**  trans-115.395.6139.831.20000108.2
157R30.7Very low31.7Very low232 Ų232139.2 Ų139.288%0.87577%0.771SS**  trans-160.782.3153.9-83.5-155.6175.5144.20.2110.2
158I31Very low31.5Very low166 Ų166139.7 Ų139.785%0.85177%0.771SS**  trans-131.580.5136.1-58.8-178.2000104.6
159D28.4Very low31.8Very low150 Ų150136.8 Ų136.880%0.80277%0.765SS**  trans-76.6122.6164-94.9-37.5000108.1S161D159-S161 PolarHBondContact O-N 3.17Å
160V30.9Very low31.9Very low128 Ų128130.2 Ų130.278%0.77676%0.76SS**SBendtrans-66.8120.2156.8176.50000106.8
161S32.9Very low32Very low96 Ų96131.7 Ų131.767%0.67177%0.767SS**SBendtrans84.898.8166.571.20000120.6D159D159-S161 PolarHBondContact O-N 3.17Å
162T32.9Very low32Very low141 Ų141132 Ų13287%0.86576%0.764SS**  trans56.2149.5140.740.30000122.5
163P32Very low31.8Very low113 Ų113136.2 Ų136.273%0.73478%0.779SS**  trans-107.1161.1-141.339.7-32.3000114.8
164L32.3Very low31.6Very low161 Ų161139 Ų13984%0.84378%0.782SS**  trans-172.8122.8141.3-99.4163.1000113.1
165H33.8Very low31.4Very low165 Ų165142.7 Ų142.776%0.76479%0.786SS**  trans59.1109.8144.9-104.4-85000124.5
166S30.2Very low31.3Very low92 Ų92140.1 Ų140.164%0.64379%0.792SS**  trans41.6128.6133700000122.6
167V33.7Very low31.1Very low129 Ų129141.1 Ų141.178%0.78279%0.793SS**  172.7117.599.11660000112
168V31.2Very low31.1Very low124 Ų124135.7 Ų135.775%0.75279%0.786SS**  trans15.1129.5143.8-153.60000123.3
169S35Very low31.1Very low106 Ų106136.1 Ų136.174%0.74179%0.788SS**  156.1110.2111.8-63.60000117.3
170A29.9Very low31.3Very low98 Ų98137.5 Ų137.581%0.8179%0.787SS**  trans25.9161.1139.900000124.1
171P35Very low31.1Very low130 Ų130138.2 Ų138.284%0.84479%0.792SS**  cis-140.4165.922.438.4-16.2000119.9
172T26.7Very low31.1Very low124 Ų124139.2 Ų139.276%0.76180%0.798SS**  trans-77.5145.7-174.8-49.70000115.9Q174T172-Q174 HydrophobicContact CG2-CG 4.29Å
173L30.5Very low30.9Very low176 Ų176141.8 Ų141.892%0.92180%0.801SS**  trans-129.3114.5157.2-100.7164.5000109.8
174Q26.5Very low30.9Very low154 Ų154142 Ų14272%0.7281%0.805SS**  trans-79.6142.2176.9-72175.2-23.500111.3T172T172-Q174 HydrophobicContact CG2-CG 4.29Å
175Y30.5Very low30.7Very low239 Ų239140.8 Ų140.894%0.93780%0.804SS**  trans-143.4124.2147.7-114.7-87000109.2
176A32.6Very low30.7Very low96 Ų96137.8 Ų137.879%0.79381%0.808SS**  trans-85.3146.3-173.700000112.5
177D27.2Very low30.7Very low144 Ų144141 Ų14177%0.7781%0.813SS**  trans-59.9144.3169.8-66.3-53.2000112.7
178T30.4Very low30.5Very low118 Ų118141.4 Ų141.472%0.72481%0.81SS**  trans-174.4104.3138.5-62.60000108.6
179I31.6Very low30.6Very low175 Ų175141.5 Ų141.590%0.89782%0.817SS**  trans-138.1115.2146.5-61.4-173.6000109.4
180K32.3Very low30.2Very low179 Ų179145.9 Ų145.978%0.77883%0.825SS**  trans-69143.9172.6-70.8174174.1177.10111
181T25.9Very low30.3Very low143 Ų143146.6 Ų146.688%0.87782%0.824SS**  trans-58.7131.6160.943.90000112.1
182S33.9Very low30Very low116 Ų116145.7 Ų145.781%0.81182%0.821SS**  trans-154.5115.1150.957.50000109.8
183E27Very low30.1Very low196 Ų196151.5 Ų151.592%0.91683%0.829SS**  trans-65.1140.7167.9-66167.8140.900110.7
184S33Very low30.2Very low117 Ų117147.8 Ų147.882%0.81882%0.817SS**  trans-155.7117.314863.30000110.6
185V28.3Very low30.4Very low135 Ų135149.2 Ų149.282%0.81882%0.824SS**  trans-52.6135.9169.4175.40000112.1
186A32.7Very low30.5Very low102 Ų102145.1 Ų145.184%0.84382%0.819SS**  trans-159.4136.4147.100000110.9
187E30.7Very low30.3Very low161 Ų161149.8 Ų149.875%0.75282%0.821SS**  trans-87162.9-158.9-60.2169.7134.200115.3
188N29.9Very low30.6Very low137 Ų137149.9 Ų149.973%0.73382%0.821SS**  trans62.9108.7141.8-69.5-23.2000119.9
189S33Very low30.6Very low126 Ų126148.4 Ų148.488%0.88182%0.816SS**  -153.6116.3125.5-440000110.5
190Q27.7Very low30.4Very low198 Ų198147.2 Ų147.293%0.92582%0.817SS**  trans-62.6139.6169.4-69.2168.3-31.500110.9
191S31.3Very low30.4Very low112 Ų112146 Ų14678%0.78382%0.817SS**  trans-156.5117.7151.5-178.60000110.8
192S28.4Very low30.6Very low111 Ų111141.9 Ų141.978%0.77680%0.804SS**  trans-43.4133.4172.248.20000114.2
193R29.9Very low30.3Very low247 Ų247143.2 Ų143.293%0.93281%0.807SS**  trans-114.5100.7160.9-146.8173-171.3179.70.8109.1
194S32.3Very low30.5Very low97 Ų97141.1 Ų141.168%0.67880%0.797SS**  trans-60.7130.416748.60000110.5N196S194-N196 PolarHBondContact O-N 3.24Å
195E29.2Very low30.3Very low185 Ų185142.8 Ų142.886%0.86480%0.796SS**  trans-62.8120164.2-65.2178148.800109.4
196N32.7Very low30.6Very low153 Ų153146.6 Ų146.682%0.81880%0.798SS**  trans-111.1109.9158.7-92.4-12.3000108.1S194S194-N196 PolarHBondContact O-N 3.24Å
197K28.9Very low30.6Very low194 Ų194146.2 Ų146.284%0.84379%0.789SS**  trans-67.9126.6156.6-74.4173.51751710108.1
198D32.8Very low30.8Very low145 Ų145145.4 Ų145.478%0.77579%0.79SS**  trans-159103.3152.7-101.1-34.2000106.5
199S31.4Very low31.2Very low88 Ų88145.4 Ų145.462%0.61579%0.79SS**  97112.674.860.60000110.8
200T26.3Very low31.3Very low149 Ų149146.2 Ų146.291%0.91478%0.784SS**  trans-60.5120.1177.7-47.90000111.1
201I32.4Very low31.7Very low153 Ų153143.5 Ų143.579%0.78578%0.781SS**  trans-140.5118163.4-56.7179.6000104.2
202G30.2Very low31.6Very low58 Ų58144.6 Ų144.660%0.59879%0.787SS**  113103.850.800000105.5E204G202-E204 PolarHBondContact O-N 3.47Å
203V28.2Very low31.9Very low143 Ų143141.9 Ų141.987%0.86778%0.777SS**  trans-66.1111.4177.1174.50000107.9
204E31.2Very low31.9Very low152 Ų152136.3 Ų136.371%0.7178%0.776SS**  trans-118116168.2-76.6-168.9167.800110.7G202G202-E204 PolarHBondContact O-N 3.47Å
205N28.9Very low32.2Very low152 Ų152137.7 Ų137.781%0.81378%0.78SS**  trans-70.7128.9161.9-69.7-48.7000108.5
206Y33.8Very low32.5Very low215 Ų215134.9 Ų134.984%0.84378%0.776SS**  trans-104.1116.8164.3-95.2-94.6000109.5
207S34Very low33Very low95 Ų95133.3 Ų133.366%0.66477%0.773SS**  trans-115.1128.6163.743.90000109
208D34.7Very low33.9Very low143 Ų143133.6 Ų133.677%0.76578%0.775SS**  trans61.6115.5149.1-57.6-22.7000119.8
209D37.5Very low35.5Very low138 Ų138135.7 Ų135.774%0.73878%0.777SS**  177.2139.187.5-101.5-29.8000113.9
210N35.2Very low37.7Very low142 Ų142139 Ų13976%0.75978%0.776SS**  trans68.2102.1152.1-62.6-40.8000120.1
211V36.4Very low40.5Very low141 Ų141137.7 Ų137.786%0.85577%0.768SS**  -177.7131.5103.7156.30000109.2G213V211-G213 PolarHBondContact O-N 2.91Å
212C29.3Very low43Very low135 Ų135132 Ų13291%0.91274%0.74SS**  trans-39113-179-179.30000115.8
213G35.3Very low45.7Very low55 Ų55133.3 Ų133.357%0.56774%0.74SS**  trans-174105.3164.300000109.7V211 T215V211-G213 PolarHBondContact O-N 2.91Å; G213-T215 PolarHBondContact O-N 3.45Å
214S28.4Very low48.5Very low129 Ų129128.2 Ų128.290%0.90271%0.706SS**  trans-67.192.7178.167.70000110.2
215T38.8Very low51.4Low127 Ų127124.2 Ų124.278%0.77969%0.692SS**  trans-117.597163.9430000107.7G213G213-T215 PolarHBondContact O-N 3.45Å
216V36.9Very low54.3Low126 Ų126117.2 Ų117.276%0.76466%0.655SS**  trans-45.3126.5160.7178.20000106.7K218V216-K218 PolarHBondContact O-N 3.5Å
217P42Very low57Low119 Ų119111.3 Ų111.377%0.77364%0.635SS**  trans-56.4112.8176.421.2-29.7000106.9K219P217-K219 PolarHBondContact O-N 3.45Å
218K48.2Very low59.5Low201 Ų201107.7 Ų107.787%0.87461%0.607SS**  trans-60.9102.6-179.2-80.2-176.2178.3177.70106.8V216 R220V216-K218 PolarHBondContact O-N 3.5Å; K218-R220 PolarHBondContact O-N 2.88Å
219K66.4Low62Low188 Ų188107.8 Ų107.882%0.81761%0.613SS**  trans-51114.8173.1-161.7176.1-176.9-176.80106.6P217 V221P217-K219 PolarHBondContact O-N 3.45Å; K219-V221 PolarHBondContact O-N 3.33Å
220R78.3Confident64.2Low158 Ų158105.7 Ų105.760%0.59660%0.602SS**PPolyproline II helixtrans-53.8129.3177.4-74.1-17986.9-168.1-3.9106.8K218 Y236 E240K218-R220 PolarHBondContact O-N 2.88Å; R220-Y236 HydrophobicContact CB-CD1 4.05Å; R220-Y236 HydrophobicContact CB-CE1 4.03Å; R220-E240 IonicContact CZ-OE2 3.46Å; R220-E240 IonicContact NH1-OE1 3.11Å; R220-E240 PolarHBondContact NH1-OE1 2.9Å; R220-E240 IonicContact NH1-OE2 3.56Å; R220-E240 PolarHBondContact NH1-OE2 3.12Å; R220-E240 IonicContact NH2-OE1 2.75Å; R220-E240 IonicContact NH2-OE2 3.82Å; R220-E240 PolarHBondContact NH2-OE2 3.14Å
221V83.8Confident66.8Low122 Ų12299 Ų9974%0.73957%0.566SS**PPolyproline II helixtrans-94.6131177.7-178.50000106.8K219K219-V221 PolarHBondContact O-N 3.33Å
222P85.7Confident69.4Low33 Ų3393.1 Ų93.121%0.21453%0.529CS..PPolyproline II helixtrans-62.2141.817626.2-34.1000110.7Q224 T225 D234 C235 Y236P222-Q224 PolarHBondContact O-N 3.2Å; P222-T225 WeakPolarHBondContact CG-OG1 3.31Å; P222-D234 HydrophobicContact CB-CB 3.83Å; P222-D234 HydrophobicContact CG-CB 4.28Å; P222-C235 CarbonylContact C-O 3.5Å; P222-Y236 HydrophobicContact CB-CD1 4.4Å; P222-Y236 HydrophobicContact CB-CE1 4.09Å
223C86.4Confident72.4Confident86 Ų8686.7 Ų86.758%0.58149%0.486SS*.SBendtrans-66.6-28.4173.6-62.10000111.8W134 C235 Y236W134-C223 HydrophobicContact CZ2-CB 4.45Å; C223-C235 WeakPolarHBondContact CA-O 3.27Å; C223-C235 WeakPolarHBondContact CB-O 3.4Å; C223-C235 PolarHBondContact N-O 3.23Å; C223-Y236 PolarHBondContact SG-O 2.87Å
224Q88.4Confident75.1Confident36 Ų3684.9 Ų84.917%0.16846%0.463CS..EExtended strand (participates in β ladder)trans-154.7144173.8-174.4-178.112.900109.2W134 P222 I226 C235W134-Q224 VanDerWaalsContact CD1-OE1 3.31Å; P222-Q224 PolarHBondContact O-N 3.2Å; Q224-I226 HydrophobicContact CG-CG1 4.34Å; Q224-C235 HydrophobicContact CB-CB 4.29Å; Q224-C235 PolarHBondContact N-O 2.97Å; Q224-C235 PolarHBondContact O-N 3.17Å
225T90.9Very high78.1Confident67 Ų6778.8 Ų78.841%0.41142%0.421SS..EExtended strand (participates in β ladder)trans-118.1126168.7-61.60000108.5P222 H232 V233 D234P222-T225 WeakPolarHBondContact CG-OG1 3.31Å; T225-H232 HydrophobicContact CG2-CB 3.99Å; T225-V233 CarbonylContact C-O 3.58Å; T225-V233 WeakPolarHBondContact CA-O 3.32Å; T225-D234 WeakPolarHBondContact CB-OD1 3.34Å; T225-D234 VanDerWaalsContact CG2-OD1 3.27Å; T225-D234 WeakPolarHBondContact CG2-OD1 3.32Å; T225-D234 PolarHBondContact OG1-OD1 3.34Å
226I90.6Very high80.5Confident5 Ų574.8 Ų74.83%0.02639%0.391CS..EExtended strand (participates in β ladder)trans-103.6112.9177.8-56.7165.4000107.7L127 E130 Q224 F228 H232 V233L127-I226 HydrophobicContact CD1-CD1 3.59Å; E130-I226 HydrophobicContact CB-CD1 3.61Å; E130-I226 HydrophobicContact CB-CG1 4.04Å; E130-I226 HydrophobicContact CB-CG2 4.37Å; E130-I226 HydrophobicContact CG-CD1 4.47Å; E130-I226 HydrophobicContact CG-CG1 4.5Å; E130-I226 HydrophobicContact CG-CG2 4.08Å; Q224-I226 HydrophobicContact CG-CG1 4.34Å; I226-F228 HydrophobicContact CB-CE2 4.25Å; I226-F228 HydrophobicContact CG2-CD2 4.44Å; I226-F228 HydrophobicContact CG2-CE2 3.64Å; I226-F228 HydrophobicContact CG2-CZ 3.73Å; I226-H232 CarbonylContact O-C 3.53Å; I226-H232 VanDerWaalsContact O-CA 3.25Å; I226-H232 WeakPolarHBondContact O-CA 3.36Å; I226-H232 WeakPolarHBondContact O-CB 3.23Å; I226-V233 HydrophobicContact CB-CB 4.43Å; I226-V233 PolarHBondContact N-O 2.85Å; I226-V233 PolarHBondContact O-N 2.92Å
227Q89.5Confident82.8Confident91 Ų9169.5 Ų69.543%0.42536%0.362SS..EExtended strand (participates in β ladder)trans-91129.4-176.1-166.470.339.300111.9R126 E246R126-Q227 PolarHBondContact NH1-O 3.44Å; R126-Q227 VanDerWaalsContact NH1-O 3.1Å; R126-Q227 PolarHBondContact NH2-O 2.92Å; Q227-E246 PolarHBondContact NE2-OE1 3.47Å
228F87.8Confident84.7Confident19 Ų1967.3 Ų67.38%0.08334%0.342CS..  trans-114178.7168.1-56.6-91.9000109.9M123 R126 L127 I226 D230 C231 V233M123-F228 HydrophobicContact CB-CE1 4.4Å; M123-F228 HydrophobicContact CE-CD1 4.26Å; M123-F228 HydrophobicContact CE-CD2 3.69Å; M123-F228 HydrophobicContact CE-CE1 4.35Å; M123-F228 HydrophobicContact CE-CE2 3.8Å; M123-F228 HydrophobicContact CE-CG 3.94Å; M123-F228 HydrophobicContact CE-CZ 4.14Å; M123-F228 HydrophobicContact CG-CD1 3.82Å; M123-F228 HydrophobicContact CG-CE1 3.56Å; M123-F228 HydrophobicContact CG-CG 4.41Å; M123-F228 HydrophobicContact CG-CZ 3.96Å; R126-F228 HydrophobicContact CB-CE1 4.2Å; R126-F228 HydrophobicContact CG-CE1 4.12Å; L127-F228 HydrophobicContact CB-CZ 4.24Å; I226-F228 HydrophobicContact CB-CE2 4.25Å; I226-F228 HydrophobicContact CG2-CD2 4.44Å; I226-F228 HydrophobicContact CG2-CE2 3.64Å; I226-F228 HydrophobicContact CG2-CZ 3.73Å; F228-D230 PolarHBondContact O-N 3.41Å; F228-C231 CarbonylContact C-O 3.25Å; F228-C231 VanDerWaalsContact CA-O 3.3Å; F228-C231 WeakPolarHBondContact CA-O 3.49Å; F228-C231 VanDerWaalsContact CB-O 3.31Å; F228-C231 WeakPolarHBondContact CB-O 3.17Å; F228-C231 PolarHBondContact N-O 2.86Å; F228-V233 HydrophobicContact CE2-CG2 3.92Å
229T85.2Confident86.4Confident146 Ų14663.5 Ų63.590%0.89633%0.331SS*.SBendtrans-64-38.8-171.2-41.90000113.1
230D85Confident87.5Confident94 Ų9457.9 Ų57.950%0.50331%0.308SS..SBendtrans-130.17-173.467.3-25.2000113.1F228 E246F228-D230 PolarHBondContact O-N 3.41Å; D230-E246 WeakPolarHBondContact O-CB 3.17Å; D230-E246 PolarHBondContact O-N 3.22Å
231C89.4Confident88.2Confident1 Ų150.4 Ų50.41%0.00728%0.28CS..EExtended strand (participates in β ladder)trans-157.9166.4-178.957.30000111.6M123 F228 L243 Y244 Y245M123-C231 WeakPolarHBondContact CE-SG 3.22Å; F228-C231 CarbonylContact C-O 3.25Å; F228-C231 VanDerWaalsContact CA-O 3.3Å; F228-C231 WeakPolarHBondContact CA-O 3.49Å; F228-C231 VanDerWaalsContact CB-O 3.31Å; F228-C231 WeakPolarHBondContact CB-O 3.17Å; F228-C231 PolarHBondContact N-O 2.86Å; C231-L243 HydrophobicContact CB-CD1 3.91Å; C231-Y244 CarbonylContact C-O 3.39Å; C231-Y244 WeakPolarHBondContact CA-O 2.93Å; C231-Y244 WeakPolarHBondContact CB-O 3.4Å; C231-Y245 HydrophobicContact CB-CD1 3.89Å; C231-Y245 HydrophobicContact CB-CE1 4.28Å; C231-Y245 HydrophobicContact CB-CG 4.44Å
232H91Very high88.6Confident17 Ų1747.9 Ų47.98%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-139.2154.9170.655.4-83.9000111T225 I226 D234 Y244 E246 K260T225-H232 HydrophobicContact CG2-CB 3.99Å; I226-H232 CarbonylContact O-C 3.53Å; I226-H232 VanDerWaalsContact O-CA 3.25Å; I226-H232 WeakPolarHBondContact O-CA 3.36Å; I226-H232 WeakPolarHBondContact O-CB 3.23Å; H232-D234 IonicContact CD2-OD1 2.77Å; H232-Y244 AromaticContact CD2-CD2 3.9Å; H232-Y244 PolarHBondContact N-O 3.01Å; H232-Y244 WeakPolarHBondContact NE2-CB 3.18Å; H232-Y244 AromaticContact NE2-CD2 3.75Å; H232-Y244 AromaticContact NE2-CG 3.75Å; H232-Y244 PolarHBondContact O-N 2.88Å; H232-E246 IonicContact CE1-OE1 3.02Å; H232-E246 PolarHBondContact CE1-OE1 2.96Å; H232-E246 IonicContact CG-OE1 3.52Å; H232-E246 IonicContact ND1-OE1 3.02Å; H232-E246 PolarHBondContact ND1-OE1 3.42Å; H232-K260 PolarHBondContact CE1-NZ 2.86Å
233V92.4Very high88.8Confident0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-112.4122173.51790000109L127 T225 I226 F228 L241 Y242 L243 L265L127-V233 HydrophobicContact CD1-CB 4.23Å; L127-V233 HydrophobicContact CD1-CG1 4.09Å; L127-V233 HydrophobicContact CD1-CG2 4.2Å; T225-V233 CarbonylContact C-O 3.58Å; T225-V233 WeakPolarHBondContact CA-O 3.32Å; I226-V233 HydrophobicContact CB-CB 4.43Å; I226-V233 PolarHBondContact N-O 2.85Å; I226-V233 PolarHBondContact O-N 2.92Å; F228-V233 HydrophobicContact CE2-CG2 3.92Å; V233-L241 HydrophobicContact CG1-CB 4.22Å; V233-L241 HydrophobicContact CG1-CD2 4.15Å; V233-Y242 WeakPolarHBondContact CA-O 3.26Å; V233-L243 HydrophobicContact CG2-CB 4.39Å; V233-L243 HydrophobicContact CG2-CD1 3.68Å; V233-L265 HydrophobicContact CG1-CD1 3.85Å; V233-L265 HydrophobicContact CG2-CD1 3.83Å
234D92.4Very high89Confident18 Ų1843.9 Ų43.910%0.09623%0.226CC..EExtended strand (participates in β ladder)trans-97125.6173-80.4-12000110.1P222 T225 H232 Y236 L241 Y242 Y244P222-D234 HydrophobicContact CB-CB 3.83Å; P222-D234 HydrophobicContact CG-CB 4.28Å; T225-D234 WeakPolarHBondContact CB-OD1 3.34Å; T225-D234 VanDerWaalsContact CG2-OD1 3.27Å; T225-D234 WeakPolarHBondContact CG2-OD1 3.32Å; T225-D234 PolarHBondContact OG1-OD1 3.34Å; H232-D234 IonicContact CD2-OD1 2.77Å; D234-Y236 HydrophobicContact CB-CD2 4.33Å; D234-Y236 HydrophobicContact CB-CE2 3.54Å; D234-Y236 PolarHBondContact OD2-OH 2.78Å; D234-L241 WeakPolarHBondContact O-CA 3.32Å; D234-Y242 PolarHBondContact N-O 3.49Å; D234-Y242 PolarHBondContact O-N 2.92Å; D234-Y244 HydrophobicContact CB-CE2 4.01Å
235C90.3Very high88.8Confident0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-102.3110.5177.8-54.40000109.7P222 C223 Q224 L241P222-C235 CarbonylContact C-O 3.5Å; C223-C235 WeakPolarHBondContact CA-O 3.27Å; C223-C235 WeakPolarHBondContact CB-O 3.4Å; C223-C235 PolarHBondContact N-O 3.23Å; Q224-C235 HydrophobicContact CB-CB 4.29Å; Q224-C235 PolarHBondContact N-O 2.97Å; Q224-C235 PolarHBondContact O-N 3.17Å; C235-L241 HydrophobicContact CB-CG 4.27Å; C235-L241 VanDerWaalsContact SG-CD2 3.53Å
236Y89.3Confident88Confident43 Ų4347.4 Ų47.417%0.16924%0.235CC..EExtended strand (participates in β ladder)trans-94.4-20.8176.3-63.7-88.5000112.6R220 P222 C223 D234 E240 Y242R220-Y236 HydrophobicContact CB-CD1 4.05Å; R220-Y236 HydrophobicContact CB-CE1 4.03Å; P222-Y236 HydrophobicContact CB-CD1 4.4Å; P222-Y236 HydrophobicContact CB-CE1 4.09Å; C223-Y236 PolarHBondContact SG-O 2.87Å; D234-Y236 HydrophobicContact CB-CD2 4.33Å; D234-Y236 HydrophobicContact CB-CE2 3.54Å; D234-Y236 PolarHBondContact OD2-OH 2.78Å; Y236-E240 PolarHBondContact N-O 2.94Å; Y236-Y242 AromaticContact CD2-CD2 3.84Å; Y236-Y242 HydrophobicContact CD2-CD2 3.84Å; Y236-Y242 HydrophobicContact CD2-CE2 4.29Å; Y236-Y242 HydrophobicContact CE2-CD2 4.04Å
237G85.6Confident87Confident15 Ų1549.3 Ų49.316%0.15525%0.249CC..EExtended strand (participates in β ladder)trans-172-178.7-179.200000110.8N239 E240G237-N239 VanDerWaalsContact C-N 3.26Å; G237-N239 PolarHBondContact O-N 3.17Å; G237-E240 PolarHBondContact O-N 2.93Å
238E82.9Confident85.6Confident73 Ų7350.4 Ų50.434%0.34126%0.262SS..THydrogen-bonded Turntrans-60.1-34.6-175.4-72.8167.7-15700113.2Y131 W134 Y135 K138 L241Y131-E238 PolarHBondContact OH-O 2.74Å; W134-E238 HydrophobicContact CH2-CG 4Å; W134-E238 HydrophobicContact CZ3-CG 4.23Å; Y135-E238 HydrophobicContact CD2-CG 4.3Å; Y135-E238 HydrophobicContact CE2-CG 4.19Å; K138-E238 IonicContact NZ-OE1 3.72Å; K138-E238 PolarHBondContact NZ-OE1 3.27Å; E238-L241 WeakPolarHBondContact O-CD1 3.44Å
239N83.7Confident84.4Confident122 Ų12253 Ų5365%0.65228%0.283SS*.THydrogen-bonded Turntrans-119.515.5179.4-60.5-30.3000112.6G237G237-N239 VanDerWaalsContact C-N 3.26Å; G237-N239 PolarHBondContact O-N 3.17Å
240E89.4Confident83.3Confident69 Ų6947.8 Ų47.832%0.32225%0.249SC..EExtended strand (participates in β ladder)trans-117.372.7-179.8-63.3-169.412800109.9R220 Y236 G237 Y242R220-E240 IonicContact CZ-OE2 3.46Å; R220-E240 IonicContact NH1-OE1 3.11Å; R220-E240 PolarHBondContact NH1-OE1 2.9Å; R220-E240 IonicContact NH1-OE2 3.56Å; R220-E240 PolarHBondContact NH1-OE2 3.12Å; R220-E240 IonicContact NH2-OE1 2.75Å; R220-E240 IonicContact NH2-OE2 3.82Å; R220-E240 PolarHBondContact NH2-OE2 3.14Å; Y236-E240 PolarHBondContact N-O 2.94Å; G237-E240 PolarHBondContact O-N 2.93Å; E240-Y242 HydrophobicContact CB-CE2 4.45Å
241L92.4Very high82.2Confident2 Ų249.7 Ų49.71%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-113.1135.5176.8-69.986.1000110.5W106 Y131 V233 D234 C235 E238 L265W106-L241 HydrophobicContact CH2-CD2 3.63Å; W106-L241 HydrophobicContact CZ3-CD2 3.73Å; Y131-L241 HydrophobicContact CD2-CD2 4.16Å; Y131-L241 HydrophobicContact CE2-CD1 4.28Å; V233-L241 HydrophobicContact CG1-CB 4.22Å; V233-L241 HydrophobicContact CG1-CD2 4.15Å; D234-L241 WeakPolarHBondContact O-CA 3.32Å; C235-L241 HydrophobicContact CB-CG 4.27Å; C235-L241 VanDerWaalsContact SG-CD2 3.53Å; E238-L241 WeakPolarHBondContact O-CD1 3.44Å; L241-L265 HydrophobicContact CB-CB 4.11Å; L241-L265 PolarHBondContact O-N 3.29Å
242Y91.9Very high80.9Confident69 Ų6954 Ų5427%0.27127%0.272SS..EExtended strand (participates in β ladder)trans-131.6126.4-178.5-66.4-92.9000111.4V233 D234 Y236 E240 Y244 T263 R264V233-Y242 WeakPolarHBondContact CA-O 3.26Å; D234-Y242 PolarHBondContact N-O 3.49Å; D234-Y242 PolarHBondContact O-N 2.92Å; Y236-Y242 AromaticContact CD2-CD2 3.84Å; Y236-Y242 HydrophobicContact CD2-CD2 3.84Å; Y236-Y242 HydrophobicContact CD2-CE2 4.29Å; Y236-Y242 HydrophobicContact CE2-CD2 4.04Å; E240-Y242 HydrophobicContact CB-CE2 4.45Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.41Å; Y242-T263 CarbonylContact C-O 3.19Å; Y242-T263 WeakPolarHBondContact CA-O 3.39Å; Y242-R264 HydrophobicContact CD1-CB 4.2Å; Y242-R264 HydrophobicContact CE1-CB 3.92Å; Y242-R264 HydrophobicContact CE1-CG 4.3Å
243L91.1Very high79.8Confident1 Ų159.7 Ų59.71%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-86.8130.5173.5178.166.5000110.6F118 M123 C231 V233 Y245 G262 T263 L265F118-L243 HydrophobicContact CE1-CD2 3.92Å; F118-L243 HydrophobicContact CZ-CD2 3.98Å; M123-L243 HydrophobicContact CE-CD1 3.7Å; C231-L243 HydrophobicContact CB-CD1 3.91Å; V233-L243 HydrophobicContact CG2-CB 4.39Å; V233-L243 HydrophobicContact CG2-CD1 3.68Å; L243-Y245 HydrophobicContact CD2-CE2 3.72Å; L243-Y245 HydrophobicContact CG-CE2 4.2Å; L243-G262 CarbonylContact O-C 3.55Å; L243-G262 VanDerWaalsContact O-CA 3.28Å; L243-G262 WeakPolarHBondContact O-CA 3.4Å; L243-T263 PolarHBondContact N-O 2.78Å; L243-T263 PolarHBondContact O-N 2.67Å; L243-L265 HydrophobicContact CB-CD1 4.1Å; L243-L265 HydrophobicContact CB-CD2 3.82Å; L243-L265 HydrophobicContact CB-CG 4.06Å; L243-L265 HydrophobicContact CD2-CD2 4.46Å
244Y88.9Confident78.6Confident33 Ų3365.3 Ų65.313%0.12932%0.319CS..EExtended strand (participates in β ladder)trans-122.2121.4174.7-63.3-88.4000109.8C231 H232 D234 Y242 K260 G262C231-Y244 CarbonylContact C-O 3.39Å; C231-Y244 WeakPolarHBondContact CA-O 2.93Å; C231-Y244 WeakPolarHBondContact CB-O 3.4Å; H232-Y244 AromaticContact CD2-CD2 3.9Å; H232-Y244 PolarHBondContact N-O 3.01Å; H232-Y244 WeakPolarHBondContact NE2-CB 3.18Å; H232-Y244 AromaticContact NE2-CD2 3.75Å; H232-Y244 AromaticContact NE2-CG 3.75Å; H232-Y244 PolarHBondContact O-N 2.88Å; D234-Y244 HydrophobicContact CB-CE2 4.01Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.41Å; Y244-K260 HydrophobicContact CD1-CB 4.25Å; Y244-K260 HydrophobicContact CD1-CD 4Å; Y244-K260 HydrophobicContact CD1-CG 4.33Å; Y244-K260 HydrophobicContact CE1-CB 4.06Å; Y244-K260 HydrophobicContact CE1-CD 4.39Å; Y244-G262 VanDerWaalsContact CE1-N 3.27Å
245Y84.8Confident77.6Confident80 Ų8071.9 Ų71.931%0.31435%0.347SS..EExtended strand (participates in β ladder)trans-77149.2170-70.6-80.4000111R108 C231 L243 L250R108-Y245 PolarHBondContact NH1-OH 3.44Å; R108-Y245 VanDerWaalsContact NH1-OH 3.13Å; R108-Y245 PolarHBondContact NH2-OH 2.84Å; C231-Y245 HydrophobicContact CB-CD1 3.89Å; C231-Y245 HydrophobicContact CB-CE1 4.28Å; C231-Y245 HydrophobicContact CB-CG 4.44Å; L243-Y245 HydrophobicContact CD2-CE2 3.72Å; L243-Y245 HydrophobicContact CG-CE2 4.2Å; Y245-L250 WeakPolarHBondContact O-CD1 3.33Å
246E75.2Confident76.9Confident97 Ų9778 Ų7845%0.45338%0.379SS..  trans-110.968.2177.8-64.6-176.9-168.400109.1Q227 D230 H232Q227-E246 PolarHBondContact NE2-OE1 3.47Å; D230-E246 WeakPolarHBondContact O-CB 3.17Å; D230-E246 PolarHBondContact O-N 3.22Å; H232-E246 IonicContact CE1-OE1 3.02Å; H232-E246 PolarHBondContact CE1-OE1 2.96Å; H232-E246 IonicContact CG-OE1 3.52Å; H232-E246 IonicContact ND1-OE1 3.02Å; H232-E246 PolarHBondContact ND1-OE1 3.42Å
247S68.2Low75.8Confident46 Ų4679.1 Ų79.132%0.32240%0.404SS..  trans-100.2154.3175.470.20000111.9S249 L250 Y251S247-S249 PolarHBondContact O-N 3.46Å; S247-S249 PolarHBondContact OG-OG 2.91Å; S247-L250 PolarHBondContact O-N 2.88Å; S247-L250 PolarHBondContact OG-N 3.47Å; S247-Y251 PolarHBondContact O-N 3.09Å
248T61.1Low74.7Confident113 Ų11383.5 Ų83.569%0.69342%0.422SS*.Hα-helixtrans-57.4-31.3171.2-44.10000111.9L250 Y251 I252T248-L250 VanDerWaalsContact C-N 3.32Å; T248-L250 PolarHBondContact O-N 3.39Å; T248-Y251 WeakPolarHBondContact O-CB 3.38Å; T248-Y251 PolarHBondContact O-N 3.03Å; T248-I252 WeakPolarHBondContact O-CG1 3.28Å; T248-I252 PolarHBondContact O-N 2.88Å
249S62.9Low73.9Confident74 Ų7488.4 Ų88.452%0.51745%0.445SS..Hα-helixtrans-65.9-32.5176.152.30000113S247 I252 R253S247-S249 PolarHBondContact O-N 3.46Å; S247-S249 PolarHBondContact OG-OG 2.91Å; S249-I252 PolarHBondContact O-N 3.39Å; S249-R253 PolarHBondContact O-N 3.32Å
250L61.4Low73Confident37 Ų3787.2 Ų87.219%0.19443%0.434CS..Hα-helixtrans-74.1-34.3173.1-73.6168.1000112Y245 S247 T248 I252 R253 Q254Y245-L250 WeakPolarHBondContact O-CD1 3.33Å; S247-L250 PolarHBondContact O-N 2.88Å; S247-L250 PolarHBondContact OG-N 3.47Å; T248-L250 VanDerWaalsContact C-N 3.32Å; T248-L250 PolarHBondContact O-N 3.39Å; L250-I252 VanDerWaalsContact C-N 3.32Å; L250-I252 PolarHBondContact O-N 2.83Å; L250-R253 PolarHBondContact O-N 3.11Å; L250-Q254 WeakPolarHBondContact O-CB 3.4Å; L250-Q254 PolarHBondContact O-N 2.76Å
251Y61.4Low72.3Confident133 Ų13389.8 Ų89.852%0.52245%0.454SS..Hα-helixtrans-60.2-41.7170.1-177.7-96.3000111.9S247 T248 Q254 K255S247-Y251 PolarHBondContact O-N 3.09Å; T248-Y251 WeakPolarHBondContact O-CB 3.38Å; T248-Y251 PolarHBondContact O-N 3.03Å; Y251-Q254 PolarHBondContact O-N 3.43Å; Y251-K255 HydrophobicContact CD1-CG 4.36Å; Y251-K255 HydrophobicContact CE1-CG 3.92Å; Y251-K255 WeakPolarHBondContact O-CB 3.47Å; Y251-K255 PolarHBondContact O-N 3.25Å; Y251-K255 VanDerWaalsContact OH-CE 3.23Å; Y251-K255 WeakPolarHBondContact OH-CE 3.38Å
252I62.9Low72Confident91 Ų9190.3 Ų90.347%0.46746%0.46SS..Hα-helixtrans-63.4-46.4174.6-66.1167.1000110.8T248 S249 L250 Q254 K255 L256T248-I252 WeakPolarHBondContact O-CG1 3.28Å; T248-I252 PolarHBondContact O-N 2.88Å; S249-I252 PolarHBondContact O-N 3.39Å; L250-I252 VanDerWaalsContact C-N 3.32Å; L250-I252 PolarHBondContact O-N 2.83Å; I252-Q254 VanDerWaalsContact C-N 3.29Å; I252-Q254 PolarHBondContact O-N 3.07Å; I252-K255 CarbonylContact O-C 3.6Å; I252-K255 WeakPolarHBondContact O-CB 3.39Å; I252-K255 PolarHBondContact O-N 3.49Å; I252-K255 VanDerWaalsContact O-N 3.16Å; I252-L256 HydrophobicContact CG2-CD1 3.88Å; I252-L256 HydrophobicContact CG2-CG 4.33Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.83Å
253R67.5Low71.8Confident137 Ų13789.4 Ų89.452%0.51746%0.462SS..Hα-helixtrans-58-41.9175.8-79.5-174.1175175.4-0.3112.3S249 L250 L256 G257 M258S249-R253 PolarHBondContact O-N 3.32Å; L250-R253 PolarHBondContact O-N 3.11Å; R253-L256 CarbonylContact O-C 3.52Å; R253-L256 PolarHBondContact O-N 3.26Å; R253-L256 VanDerWaalsContact O-N 3.16Å; R253-G257 PolarHBondContact O-N 3.13Å; R253-M258 HydrophobicContact CB-CB 4.17Å; R253-M258 HydrophobicContact CB-SD 4.37Å; R253-M258 HydrophobicContact CG-SD 3.95Å; R253-M258 WeakPolarHBondContact O-CB 3.26Å; R253-M258 PolarHBondContact O-N 2.85Å
254Q67.5Low71.8Confident118 Ų11894.4 Ų94.455%0.55148%0.48SS*.Hα-helixtrans-65.5-40.2176.8-168.5173.23.900111.9L250 Y251 I252 L256 G257L250-Q254 WeakPolarHBondContact O-CB 3.4Å; L250-Q254 PolarHBondContact O-N 2.76Å; Y251-Q254 PolarHBondContact O-N 3.43Å; I252-Q254 VanDerWaalsContact C-N 3.29Å; I252-Q254 PolarHBondContact O-N 3.07Å; Q254-L256 VanDerWaalsContact C-N 3.27Å; Q254-L256 PolarHBondContact O-N 2.91Å; Q254-G257 PolarHBondContact O-N 3.41Å; Q254-G257 VanDerWaalsContact O-N 3.15Å
255K70.9Confident72Confident156 Ų15693 Ų9368%0.67848%0.475SS*.Hα-helixtrans-64.6-28.5171.8-85.3-99.8-176.1171.70113.1Y251 I252 G257Y251-K255 HydrophobicContact CD1-CG 4.36Å; Y251-K255 HydrophobicContact CE1-CG 3.92Å; Y251-K255 WeakPolarHBondContact O-CB 3.47Å; Y251-K255 PolarHBondContact O-N 3.25Å; Y251-K255 VanDerWaalsContact OH-CE 3.23Å; Y251-K255 WeakPolarHBondContact OH-CE 3.38Å; I252-K255 CarbonylContact O-C 3.6Å; I252-K255 WeakPolarHBondContact O-CB 3.39Å; I252-K255 PolarHBondContact O-N 3.49Å; I252-K255 VanDerWaalsContact O-N 3.16Å; K255-G257 VanDerWaalsContact C-N 3.27Å
256L76Confident72.4Confident128 Ų12890 Ų9067%0.6747%0.465SS*.THydrogen-bonded Turntrans-83.86.1174-66.7172.8000113.4I252 R253 Q254 M258I252-L256 HydrophobicContact CG2-CD1 3.88Å; I252-L256 HydrophobicContact CG2-CG 4.33Å; I252-L256 VanDerWaalsContact O-CG 3.3Å; I252-L256 WeakPolarHBondContact O-CG 3.41Å; I252-L256 PolarHBondContact O-N 2.83Å; R253-L256 CarbonylContact O-C 3.52Å; R253-L256 PolarHBondContact O-N 3.26Å; R253-L256 VanDerWaalsContact O-N 3.16Å; Q254-L256 VanDerWaalsContact C-N 3.27Å; Q254-L256 PolarHBondContact O-N 2.91Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 2.73Å
257G66.1Low73.2Confident68 Ų6888.2 Ų88.270%0.70145%0.454SS*.THydrogen-bonded Turntrans77.66.9178.700000114.8R253 Q254 K255R253-G257 PolarHBondContact O-N 3.13Å; Q254-G257 PolarHBondContact O-N 3.41Å; Q254-G257 VanDerWaalsContact O-N 3.15Å; K255-G257 VanDerWaalsContact C-N 3.27Å
258M63.4Low74.4Confident106 Ų10686.1 Ų86.152%0.52244%0.44SS..  trans-76.8131.2174.2-57.1-178.577.200109.6R253 L256R253-M258 HydrophobicContact CB-CB 4.17Å; R253-M258 HydrophobicContact CB-SD 4.37Å; R253-M258 HydrophobicContact CG-SD 3.95Å; R253-M258 WeakPolarHBondContact O-CB 3.26Å; R253-M258 PolarHBondContact O-N 2.85Å; L256-M258 VanDerWaalsContact C-N 3.27Å; L256-M258 PolarHBondContact O-N 2.73Å
259Q65.5Low75.9Confident177 Ų17782.1 Ų82.183%0.82741%0.413SS*.  trans-62.8145.5177.8-69.8-179.2-13.700111.1V261Q259-V261 PolarHBondContact O-N 3.48Å; Q259-V261 VanDerWaalsContact O-N 3.14Å
260K65.4Low77.1Confident96 Ų9683.7 Ų83.742%0.41742%0.416SS..  trans-60.6115.2169.3-107.9-172.4174.2-171.40107.9H232 Y244H232-K260 PolarHBondContact CE1-NZ 2.86Å; Y244-K260 HydrophobicContact CD1-CB 4.25Å; Y244-K260 HydrophobicContact CD1-CD 4Å; Y244-K260 HydrophobicContact CD1-CG 4.33Å; Y244-K260 HydrophobicContact CE1-CB 4.06Å; Y244-K260 HydrophobicContact CE1-CD 4.39Å
261V74.9Confident78.5Confident123 Ų12387.3 Ų87.375%0.74544%0.436SS*.  trans-97.7108.6172.4-175.30000107.1Q259Q259-V261 PolarHBondContact O-N 3.48Å; Q259-V261 VanDerWaalsContact O-N 3.14Å
262G84.5Confident80.1Confident13 Ų1385.3 Ų85.313%0.13443%0.433CS..PPolyproline II helixtrans-82.4145.7171.300000110.3L243 Y244L243-G262 CarbonylContact O-C 3.55Å; L243-G262 VanDerWaalsContact O-CA 3.28Å; L243-G262 WeakPolarHBondContact O-CA 3.4Å; Y244-G262 VanDerWaalsContact CE1-N 3.27Å
263T88.6Confident81.7Confident51 Ų5181 Ų8131%0.31341%0.411SS..EExtended strand (participates in β ladder)trans-82124.3172.5-57.50000108.6R108 Y242 L243 L265R108-T263 HydrophobicContact CB-CG2 3.97Å; Y242-T263 CarbonylContact C-O 3.19Å; Y242-T263 WeakPolarHBondContact CA-O 3.39Å; L243-T263 PolarHBondContact N-O 2.78Å; L243-T263 PolarHBondContact O-N 2.67Å; T263-L265 PolarHBondContact O-N 3.06Å
264R91.2Very high83Confident105 Ų10578.4 Ų78.440%0.39641%0.407SS..EExtended strand (participates in β ladder)trans-64.7135.9177-174.7172.5174.2-151.55110.1E109 Y242E109-R264 HydrophobicContact CB-CB 4.43Å; E109-R264 PolarHBondContact N-O 2.68Å; E109-R264 WeakPolarHBondContact OE2-CD 3.47Å; E109-R264 IonicContact OE2-NH1 3.13Å; Y242-R264 HydrophobicContact CD1-CB 4.2Å; Y242-R264 HydrophobicContact CE1-CB 3.92Å; Y242-R264 HydrophobicContact CE1-CG 4.3Å
265L93.1Very high84.3Confident3 Ų379 Ų792%0.01641%0.408CS..EExtended strand (participates in β ladder)trans-104139.9175.5-57.2-172000110.8W106 F107 R108 F118 L127 V233 L241 L243 T263W106-L265 HydrophobicContact CE3-CB 4.3Å; W106-L265 HydrophobicContact CZ3-CB 4.48Å; F107-L265 CarbonylContact O-C 3.57Å; F107-L265 VanDerWaalsContact O-CA 3.29Å; F107-L265 WeakPolarHBondContact O-CA 3.41Å; R108-L265 HydrophobicContact CB-CD2 4.49Å; R108-L265 HydrophobicContact CG-CD2 3.85Å; F118-L265 HydrophobicContact CE2-CD1 4.42Å; F118-L265 HydrophobicContact CE2-CD2 3.82Å; F118-L265 HydrophobicContact CZ-CD1 3.95Å; F118-L265 HydrophobicContact CZ-CD2 3.61Å; F118-L265 HydrophobicContact CZ-CG 4.44Å; L127-L265 HydrophobicContact CD2-CD1 3.8Å; V233-L265 HydrophobicContact CG1-CD1 3.85Å; V233-L265 HydrophobicContact CG2-CD1 3.83Å; L241-L265 HydrophobicContact CB-CB 4.11Å; L241-L265 PolarHBondContact O-N 3.29Å; L243-L265 HydrophobicContact CB-CD1 4.1Å; L243-L265 HydrophobicContact CB-CD2 3.82Å; L243-L265 HydrophobicContact CB-CG 4.06Å; L243-L265 HydrophobicContact CD2-CD2 4.46Å; T263-L265 PolarHBondContact O-N 3.06Å
266C92.4Very high85.3Confident17 Ų1778.8 Ų78.812%0.11541%0.409CS..EExtended strand (participates in β ladder)trans-113.4135.3173.3-62.40000109.2F107 L115F107-C266 HydrophobicContact CB-CB 4.37Å; F107-C266 PolarHBondContact N-O 3.45Å; F107-C266 PolarHBondContact O-N 2.99Å; L115-C266 HydrophobicContact CD2-CB 4.12Å
267R92.9Very high86.1Confident60 Ų6075.8 Ų75.823%0.22639%0.394CS..EExtended strand (participates in β ladder)trans-97125.8175.4-168.7-179.4172.4-106.77109.6P5 L7 W106 E128 Y131P5-R267 PolarHBondContact O-NH2 3.22Å; L7-R267 HydrophobicContact CD1-CG 4.44Å; L7-R267 HydrophobicContact CD2-CG 4.19Å; W106-R267 HydrophobicContact CD2-CB 4.37Å; W106-R267 HydrophobicContact CD2-CG 4.23Å; W106-R267 HydrophobicContact CE3-CB 3.97Å; W106-R267 HydrophobicContact CE3-CG 4.32Å; W106-R267 HydrophobicContact CH2-CB 3.67Å; W106-R267 HydrophobicContact CH2-CG 3.75Å; W106-R267 HydrophobicContact CZ2-CB 4.06Å; W106-R267 HydrophobicContact CZ2-CG 3.61Å; W106-R267 HydrophobicContact CZ3-CB 3.61Å; W106-R267 HydrophobicContact CZ3-CG 4.1Å; E128-R267 IonicContact OE1-CZ 3.74Å; E128-R267 IonicContact OE1-NE 4Å; E128-R267 PolarHBondContact OE1-NE 3.45Å; E128-R267 IonicContact OE1-NH2 2.6Å; E128-R267 PolarHBondContact OE1-NH2 3.17Å; E128-R267 IonicContact OE2-CZ 3.34Å; E128-R267 IonicContact OE2-NE 2.73Å; E128-R267 PolarHBondContact OE2-NE 2.8Å; E128-R267 IonicContact OE2-NH2 2.64Å; Y131-R267 VanDerWaalsContact CE1-CD 3.49Å
268G92.7Very high87.4Confident2 Ų277 Ų772%0.02138%0.38CS..SBendtrans71.8162.8-169.200000112.3Q11 T105 F107Q11-G268 CarbonylContact O-C 3.55Å; Q11-G268 VanDerWaalsContact O-CA 3.24Å; Q11-G268 WeakPolarHBondContact O-CA 3.03Å; T105-G268 PolarHBondContact O-N 2.8Å; F107-G268 WeakPolarHBondContact CD2-O 3.12Å; F107-G268 VanDerWaalsContact CE2-C 3.42Å; F107-G268 WeakPolarHBondContact CE2-O 3.47Å
269F93.3Very high88.8Confident30 Ų3075.1 Ų75.113%0.13237%0.371CS..  trans-82.7140.1177.5-157.9-109.8000110.2Q11 R13 F15 P26 F107 L115 D271Q11-F269 PolarHBondContact O-N 3.33Å; R13-F269 HydrophobicContact CB-CB 3.65Å; R13-F269 HydrophobicContact CB-CD1 4.12Å; R13-F269 HydrophobicContact CB-CD2 3.92Å; R13-F269 HydrophobicContact CB-CG 3.63Å; R13-F269 HydrophobicContact CG-CB 4.47Å; R13-F269 HydrophobicContact CG-CD1 4.02Å; R13-F269 HydrophobicContact CG-CD2 4.08Å; R13-F269 HydrophobicContact CG-CE1 4.24Å; R13-F269 HydrophobicContact CG-CE2 4.3Å; R13-F269 HydrophobicContact CG-CG 3.93Å; R13-F269 HydrophobicContact CG-CZ 4.37Å; F15-F269 HydrophobicContact CE1-CE2 4.3Å; F15-F269 AromaticContact CZ-CD2 3.99Å; F15-F269 HydrophobicContact CZ-CD2 3.99Å; F15-F269 AromaticContact CZ-CE2 3.64Å; F15-F269 HydrophobicContact CZ-CE2 3.64Å; F15-F269 HydrophobicContact CZ-CZ 4.37Å; P26-F269 HydrophobicContact CB-CZ 4.5Å; F107-F269 AromaticContact CD1-CD2 3.99Å; F107-F269 HydrophobicContact CD1-CD2 3.99Å; F107-F269 HydrophobicContact CD1-CE2 4.36Å; F107-F269 HydrophobicContact CD2-CD2 4.36Å; F107-F269 AromaticContact CE1-CD2 3.57Å; F107-F269 HydrophobicContact CE1-CD2 3.57Å; F107-F269 HydrophobicContact CE1-CE2 4.1Å; F107-F269 HydrophobicContact CE2-CB 3.96Å; F107-F269 AromaticContact CE2-CD2 3.97Å; F107-F269 HydrophobicContact CE2-CD2 3.97Å; F107-F269 HydrophobicContact CE2-CG 4.49Å; F107-F269 HydrophobicContact CG-CD2 4.37Å; F107-F269 HydrophobicContact CZ-CB 4.04Å; F107-F269 AromaticContact CZ-CD2 3.55Å; F107-F269 HydrophobicContact CZ-CD2 3.55Å; F107-F269 HydrophobicContact CZ-CE2 4.5Å; F107-F269 HydrophobicContact CZ-CG 4.25Å; L115-F269 HydrophobicContact CB-CD2 4.36Å; L115-F269 HydrophobicContact CB-CE2 3.9Å; L115-F269 HydrophobicContact CD1-CD2 3.97Å; L115-F269 HydrophobicContact CD1-CE2 4.13Å; F269-D271 VanDerWaalsContact C-N 3.32Å; F269-D271 HydrophobicContact CD1-CB 4.09Å; F269-D271 WeakPolarHBondContact CD1-O 3.42Å; F269-D271 HydrophobicContact CE1-CB 4.09Å; F269-D271 PolarHBondContact O-N 3.06Å
270N88.1Confident90.2Very high106 Ų10667 Ų6757%0.56734%0.335SS*.SBendtrans-62-40.5-176.3-75.7-5.6000112.2L115L115-N270 HydrophobicContact CD1-CB 3.93Å
271D90.3Very high91.6Very high114 Ų11464.4 Ų64.461%0.6133%0.325SS*.SBendtrans-91.4107177.3-57.6-41.7000109.7R13 F269 A273R13-D271 PolarHBondContact NH2-O 3.42Å; F269-D271 VanDerWaalsContact C-N 3.32Å; F269-D271 HydrophobicContact CD1-CB 4.09Å; F269-D271 WeakPolarHBondContact CD1-O 3.42Å; F269-D271 HydrophobicContact CE1-CB 4.09Å; F269-D271 PolarHBondContact O-N 3.06Å; D271-A273 PolarHBondContact O-N 3.18Å
272L94.4Very high92.6Very high91 Ų9158.7 Ų58.748%0.47629%0.29SS..  trans-56.6137.6179.5-63.9179.7000110.6E10 Q11 L274E10-L272 HydrophobicContact CB-CB 4.4Å; E10-L272 HydrophobicContact CB-CD2 4.47Å; E10-L272 CarbonylContact O-C 3.56Å; E10-L272 VanDerWaalsContact O-CA 3.31Å; E10-L272 WeakPolarHBondContact O-CA 3.27Å; Q11-L272 HydrophobicContact CB-CD2 4.43Å; Q11-L272 HydrophobicContact CG-CD2 3.64Å; L272-L274 PolarHBondContact O-N 3.1Å
273A96.3Very high93.2Very high0 Ų059 Ų590%029%0.291CS..  trans-69.7124.4171.400000109.1E10 R13 I33 D271E10-A273 WeakPolarHBondContact CB-O 3.46Å; E10-A273 WeakPolarHBondContact CG-O 3.48Å; E10-A273 PolarHBondContact O-N 3.37Å; R13-A273 VanDerWaalsContact NH2-N 3.16Å; I33-A273 HydrophobicContact CD1-CB 4.18Å; I33-A273 HydrophobicContact CG1-CB 3.81Å; D271-A273 PolarHBondContact O-N 3.18Å
274L96.3Very high93.7Very high82 Ų8257.8 Ų57.843%0.42928%0.282SS..  trans-111.8146178.2-59.6179.3000110G29 Y30 L272 E276 D277G29-L274 CarbonylContact C-O 3.55Å; G29-L274 VanDerWaalsContact C-O 3.25Å; G29-L274 WeakPolarHBondContact CA-O 3.38Å; Y30-L274 PolarHBondContact N-O 2.96Å; Y30-L274 VanDerWaalsContact N-O 3.11Å; L272-L274 PolarHBondContact O-N 3.1Å; L274-E276 WeakPolarHBondContact CB-OE2 3.5Å; L274-E276 PolarHBondContact O-N 3.44Å; L274-D277 PolarHBondContact N-OD2 3.17Å; L274-D277 WeakPolarHBondContact O-CB 3.26Å; L274-D277 PolarHBondContact O-N 3.38Å
275K93.3Very high94Very high132 Ų13252.8 Ų52.857%0.57426%0.263SS*.G310 helixtrans-69.1-26175.1-71.6-172.7177.8-179.40111.1Y30 I33 D277 K278Y30-K275 WeakPolarHBondContact CD2-O 3.48Å; I33-K275 HydrophobicContact CD1-CB 4.5Å; I33-K275 HydrophobicContact CD1-CG 3.72Å; K275-D277 PolarHBondContact O-N 3.09Å; K275-K278 PolarHBondContact O-N 3.49Å
276E92.9Very high94.2Very high151 Ų15152.7 Ų52.771%0.70626%0.262SS*.G310 helixtrans-70.7-16.6177.1-59.373.2-160.900112.3L274 K278L274-E276 WeakPolarHBondContact CB-OE2 3.5Å; L274-E276 PolarHBondContact O-N 3.44Å; E276-K278 PolarHBondContact O-N 3.05Å
277D92.9Very high94.5Very high65 Ų6551.9 Ų51.935%0.34826%0.257SS..G310 helixtrans-70.810.8173.3-62.5-22.8000112.8N28 G29 L274 K275 I279N28-D277 HydrophobicContact CB-CB 4.47Å; G29-D277 WeakPolarHBondContact CA-OD2 3.3Å; G29-D277 PolarHBondContact N-OD2 3.44Å; L274-D277 PolarHBondContact N-OD2 3.17Å; L274-D277 WeakPolarHBondContact O-CB 3.26Å; L274-D277 PolarHBondContact O-N 3.38Å; K275-D277 PolarHBondContact O-N 3.09Å; D277-I279 PolarHBondContact O-N 3.1Å
278K93.2Very high94.6Very high92 Ų9249 Ų4940%0.425%0.246SC..PPolyproline II helixtrans-61127.5175.9-172.5-169.6167.5-159.80108.8Y30 K275 E276 A280 D281Y30-K278 HydrophobicContact CD1-CB 4.25Å; Y30-K278 HydrophobicContact CD1-CG 3.94Å; Y30-K278 HydrophobicContact CD2-CB 3.77Å; Y30-K278 HydrophobicContact CD2-CD 4.46Å; Y30-K278 HydrophobicContact CD2-CG 4.02Å; Y30-K278 HydrophobicContact CE1-CD 4.48Å; Y30-K278 HydrophobicContact CE1-CG 4.05Å; Y30-K278 HydrophobicContact CE2-CB 4.32Å; Y30-K278 HydrophobicContact CE2-CD 4.15Å; Y30-K278 HydrophobicContact CE2-CG 4.15Å; Y30-K278 HydrophobicContact CG-CB 3.73Å; Y30-K278 HydrophobicContact CG-CG 3.91Å; K275-K278 PolarHBondContact O-N 3.49Å; E276-K278 PolarHBondContact O-N 3.05Å; K278-A280 PolarHBondContact O-N 3.4Å; K278-D281 WeakPolarHBondContact CE-OD1 3.33Å; K278-D281 IonicContact NZ-OD1 2.86Å; K278-D281 PolarHBondContact NZ-OD1 2.65Å; K278-D281 IonicContact NZ-OD2 3.54Å
279I93Very high94.7Very high67 Ų6748.9 Ų48.934%0.34425%0.245SC..PPolyproline II helixtrans-61136.4172.3-64.4165.8000108.8N28 D277N28-I279 WeakPolarHBondContact ND2-CD1 3.42Å; N28-I279 WeakPolarHBondContact ND2-CG1 3.47Å; D277-I279 PolarHBondContact O-N 3.1Å
280A94Very high94.5Very high7 Ų747.9 Ų47.96%0.05824%0.24CC..PPolyproline II helixtrans-50.1150.8179.900000113.1K278 N327 R329K278-A280 PolarHBondContact O-N 3.4Å; A280-N327 VanDerWaalsContact CA-OD1 3.25Å; A280-N327 WeakPolarHBondContact CA-OD1 3.12Å; A280-R329 HydrophobicContact CB-CB 4.4Å; A280-R329 WeakPolarHBondContact O-CD 3.5Å; A280-R329 WeakPolarHBondContact O-CG 3.48Å; A280-R329 PolarHBondContact O-NE 2.73Å
281D94.5Very high94.2Very high42 Ų4243 Ų4323%0.22521%0.214CC..PPolyproline II helixtrans-72.7147.9-178.8-65.8-33.4000112.1K278 S283 N327 R329 R407K278-D281 WeakPolarHBondContact CE-OD1 3.33Å; K278-D281 IonicContact NZ-OD1 2.86Å; K278-D281 PolarHBondContact NZ-OD1 2.65Å; K278-D281 IonicContact NZ-OD2 3.54Å; D281-S283 PolarHBondContact O-N 3.08Å; D281-N327 PolarHBondContact N-OD1 3.08Å; D281-N327 PolarHBondContact OD2-ND2 2.79Å; D281-R329 PolarHBondContact O-N 3.33Å; D281-R407 VanDerWaalsContact CB-NH1 3.26Å; D281-R407 IonicContact OD2-NH1 3.41Å
282I96.9Very high93.5Very high2 Ų239.1 Ų39.11%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-69.8122.5179.6-54.7170.3000108.5H284 R329 E331 F397 F404 R407I282-H284 WeakPolarHBondContact CG2-O 3.46Å; I282-R329 VanDerWaalsContact CD1-NH2 3.32Å; I282-R329 HydrophobicContact CG1-CG 4.34Å; I282-E331 HydrophobicContact CD1-CB 3.8Å; I282-E331 HydrophobicContact CD1-CG 4.09Å; I282-E331 HydrophobicContact CG1-CB 4.07Å; I282-E331 HydrophobicContact CG2-CB 3.93Å; I282-F397 HydrophobicContact CB-CE2 4.31Å; I282-F397 HydrophobicContact CB-CZ 4.29Å; I282-F397 HydrophobicContact CD1-CD2 4.46Å; I282-F397 HydrophobicContact CD1-CE2 3.58Å; I282-F397 HydrophobicContact CD1-CZ 4.38Å; I282-F397 HydrophobicContact CG2-CE2 3.96Å; I282-F397 HydrophobicContact CG2-CZ 3.88Å; I282-F404 HydrophobicContact CG2-CD2 4.48Å; I282-F404 HydrophobicContact CG2-CE2 4.14Å; I282-F404 WeakPolarHBondContact O-CD2 3.21Å; I282-R407 PolarHBondContact O-NH2 3.34Å
283S96.9Very high92Very high21 Ų2135 Ų3515%0.14717%0.173CC..EExtended strand (participates in β ladder)trans-111.9-23.1176.663.70000112.2D281 R329 G409 K410 F824D281-S283 PolarHBondContact O-N 3.08Å; S283-R329 PolarHBondContact N-O 3.15Å; S283-R329 PolarHBondContact OG-O 3.49Å; S283-G409 WeakPolarHBondContact O-CA 3.08Å; S283-K410 PolarHBondContact O-N 3.33Å; S283-K410 VanDerWaalsContact O-N 3.17Å; S283-F824 WeakPolarHBondContact OG-CE1 3.1Å
284H98Very high90.5Very high25 Ų2535.2 Ų35.212%0.11617%0.174CC..EExtended strand (participates in β ladder)trans-134.2130.8175.1-92.486.5000110I282 R329 V330 E331 K410 L823 F824I282-H284 WeakPolarHBondContact CG2-O 3.46Å; H284-R329 PolarHBondContact N-O 3.39Å; H284-V330 HydrophobicContact CB-CB 4.37Å; H284-V330 HydrophobicContact CB-CG2 4.36Å; H284-V330 CarbonylContact O-C 3.58Å; H284-V330 VanDerWaalsContact O-CA 3.26Å; H284-V330 WeakPolarHBondContact O-CA 3.4Å; H284-E331 PolarHBondContact O-N 3.36Å; H284-K410 CarbonylContact C-O 3.39Å; H284-K410 VanDerWaalsContact CA-O 3.32Å; H284-K410 WeakPolarHBondContact CA-O 3.33Å; H284-K410 WeakPolarHBondContact CD2-CB 3.39Å; H284-K410 WeakPolarHBondContact NE2-CB 3.42Å; H284-L823 PolarHBondContact CE1-O 3.31Å; H284-F824 HydrophobicContact CB-CZ 4.26Å; H284-F824 AromaticContact ND1-CE1 3.95Å
285L98.3Very high88.8Confident0 Ų035.8 Ų35.80%017%0.173CC..EExtended strand (participates in β ladder)trans-107.6130.2173.4178.265.4000109.5F287 E331 L333 Y394 F397 F404 K410 V411 S412L285-F287 HydrophobicContact CD2-CE1 4.27Å; L285-F287 HydrophobicContact CD2-CE2 3.94Å; L285-F287 HydrophobicContact CD2-CZ 3.66Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; L285-E331 HydrophobicContact CD1-CB 4.44Å; L285-L333 HydrophobicContact CD1-CD1 3.76Å; L285-L333 HydrophobicContact CD1-CG 3.82Å; L285-Y394 HydrophobicContact CD2-CD2 3.88Å; L285-Y394 HydrophobicContact CD2-CE2 4.27Å; L285-F397 HydrophobicContact CB-CZ 4.24Å; L285-F397 HydrophobicContact CD1-CD2 4.02Å; L285-F397 HydrophobicContact CD1-CE2 3.94Å; L285-F397 HydrophobicContact CD1-CZ 4.44Å; L285-F397 HydrophobicContact CD2-CB 4.49Å; L285-F397 HydrophobicContact CD2-CD1 3.79Å; L285-F397 HydrophobicContact CD2-CD2 4.15Å; L285-F397 HydrophobicContact CD2-CE1 3.99Å; L285-F397 HydrophobicContact CD2-CE2 4.31Å; L285-F397 HydrophobicContact CD2-CG 3.88Å; L285-F397 HydrophobicContact CD2-CZ 4.25Å; L285-F404 HydrophobicContact CB-CZ 4.09Å; L285-K410 PolarHBondContact N-O 3.29Å; L285-V411 HydrophobicContact CB-CG2 4.36Å; L285-V411 CarbonylContact O-C 3.6Å; L285-V411 VanDerWaalsContact O-CA 3.3Å; L285-V411 WeakPolarHBondContact O-CA 3.44Å; L285-S412 PolarHBondContact O-N 3.24Å
286C98.3Very high87Confident0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-116.6118.8176.2-71.10000111V330 E331 F332 L333 S412 I414C286-V330 HydrophobicContact CB-CG2 4.38Å; C286-E331 PolarHBondContact N-O 3.47Å; C286-F332 HydrophobicContact CB-CD1 3.49Å; C286-F332 VanDerWaalsContact CB-CD1 3.49Å; C286-F332 HydrophobicContact CB-CE1 3.82Å; C286-F332 HydrophobicContact CB-CG 4.38Å; C286-F332 CarbonylContact O-C 3.58Å; C286-F332 WeakPolarHBondContact O-CA 3.41Å; C286-L333 PolarHBondContact O-N 3.42Å; C286-S412 CarbonylContact C-O 3.54Å; C286-S412 VanDerWaalsContact CA-O 3.29Å; C286-S412 WeakPolarHBondContact CA-O 2.91Å; C286-I414 HydrophobicContact CB-CD1 4.1Å
287F98Very high85.2Confident0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-84.1125169.6-71.2-63.5000110.5L285 L333 V335 L390 L393 Y394 V411 S412 I413 I414 F564L285-F287 HydrophobicContact CD2-CE1 4.27Å; L285-F287 HydrophobicContact CD2-CE2 3.94Å; L285-F287 HydrophobicContact CD2-CZ 3.66Å; L285-F287 HydrophobicContact CG-CZ 4.42Å; F287-L333 HydrophobicContact CD1-CB 4.11Å; F287-L333 HydrophobicContact CE1-CB 4.24Å; F287-L333 HydrophobicContact CE1-CD1 4.15Å; F287-V335 HydrophobicContact CB-CG2 3.85Å; F287-V335 HydrophobicContact CD1-CG2 3.79Å; F287-V335 HydrophobicContact CG-CG2 4.19Å; F287-L390 HydrophobicContact CB-CD2 3.92Å; F287-L390 HydrophobicContact CD1-CD2 3.92Å; F287-L390 HydrophobicContact CD2-CD2 3.84Å; F287-L390 HydrophobicContact CE1-CD2 4.42Å; F287-L390 HydrophobicContact CE2-CD2 4.33Å; F287-L390 HydrophobicContact CG-CD2 3.61Å; F287-L393 HydrophobicContact CD1-CD1 4.44Å; F287-L393 HydrophobicContact CE1-CB 3.76Å; F287-L393 HydrophobicContact CE1-CD1 4.28Å; F287-L393 HydrophobicContact CZ-CB 4.42Å; F287-Y394 HydrophobicContact CE2-CD2 4.4Å; F287-Y394 HydrophobicContact CZ-CD2 4.24Å; F287-V411 HydrophobicContact CD2-CG1 3.76Å; F287-V411 HydrophobicContact CE2-CG1 3.73Å; F287-S412 PolarHBondContact N-O 3.35Å; F287-I413 HydrophobicContact CB-CG1 4.36Å; F287-I413 WeakPolarHBondContact O-CA 3.39Å; F287-I414 PolarHBondContact O-N 3.44Å; F287-F564 HydrophobicContact CD2-CE1 4.12Å; F287-F564 HydrophobicContact CD2-CE2 4.3Å; F287-F564 AromaticContact CD2-CZ 3.87Å; F287-F564 HydrophobicContact CD2-CZ 3.87Å; F287-F564 AromaticContact CE2-CD1 3.85Å; F287-F564 HydrophobicContact CE2-CD1 3.85Å; F287-F564 AromaticContact CE2-CE1 3.49Å; F287-F564 HydrophobicContact CE2-CE1 3.49Å; F287-F564 VanDerWaalsContact CE2-CE1 3.49Å; F287-F564 HydrophobicContact CE2-CE2 4.25Å; F287-F564 HydrophobicContact CE2-CG 4.36Å; F287-F564 AromaticContact CE2-CZ 3.72Å; F287-F564 HydrophobicContact CE2-CZ 3.72Å; F287-F564 HydrophobicContact CZ-CE1 4.19Å
288V95.9Very high83.4Confident0 Ų027.5 Ų27.50%015%0.148CC..EExtended strand (participates in β ladder)trans-102.6109-178.4-178.20000109.2V301 C305 L308 F332 L333 V335 I414 W810V288-V301 HydrophobicContact CG1-CG2 4.41Å; V288-C305 HydrophobicContact CB-CB 4.39Å; V288-C305 HydrophobicContact CG1-CB 4.35Å; V288-C305 HydrophobicContact CG2-CB 4.49Å; V288-L308 HydrophobicContact CG2-CD2 3.91Å; V288-F332 HydrophobicContact CG2-CB 4.08Å; V288-F332 HydrophobicContact CG2-CD1 4.21Å; V288-L333 PolarHBondContact N-O 3.25Å; V288-V335 PolarHBondContact O-N 3.4Å; V288-I414 WeakPolarHBondContact CA-O 3.32Å; V288-W810 HydrophobicContact CG1-CE3 4.12Å; V288-W810 HydrophobicContact CG1-CH2 3.73Å; V288-W810 HydrophobicContact CG1-CZ3 3.49Å; V288-W810 VanDerWaalsContact CG1-CZ3 3.49Å
289I94.2Very high82.1Confident0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-111.1118.2-174.6-63.9168.9000109.4V335 L386 L390 I413 I414 A415 H416 V423I289-V335 HydrophobicContact CG1-CB 3.71Å; I289-V335 HydrophobicContact CG1-CG1 4.1Å; I289-V335 HydrophobicContact CG1-CG2 3.84Å; I289-L386 HydrophobicContact CD1-CD1 4.05Å; I289-L386 HydrophobicContact CG1-CD1 4.43Å; I289-L386 HydrophobicContact CG2-CD1 4.49Å; I289-L390 HydrophobicContact CD1-CD1 4.46Å; I289-L390 HydrophobicContact CD1-CD2 4.36Å; I289-I413 HydrophobicContact CD1-CG2 3.63Å; I289-I413 HydrophobicContact CG1-CG2 4.39Å; I289-I414 PolarHBondContact N-O 3.3Å; I289-A415 HydrophobicContact CB-CB 4.38Å; I289-A415 WeakPolarHBondContact O-CA 3.3Å; I289-H416 PolarHBondContact O-N 2.88Å; I289-V423 HydrophobicContact CD1-CG2 3.26Å; I289-V423 HydrophobicContact CG1-CG2 4.45Å; I289-V423 HydrophobicContact CG2-CG2 4.36Å
290H89Confident81.1Confident9 Ų923 Ų234%0.04213%0.129CC..  trans-73.6159176.567.978.1000112.2Q294 V301 V335 W337H290-Q294 WeakPolarHBondContact CE1-CB 3.2Å; H290-V301 HydrophobicContact CB-CB 4Å; H290-V301 HydrophobicContact CB-CG2 3.93Å; H290-V335 PolarHBondContact CD2-O 2.82Å; H290-W337 AromaticContact CE1-CD1 3.64Å; H290-W337 AromaticContact CE1-CE2 3.48Å; H290-W337 VanDerWaalsContact CE1-CE2 3.48Å; H290-W337 AromaticContact CE1-CZ2 3.91Å; H290-W337 AromaticContact CE1-NE1 3.07Å; H290-W337 PolarHBondContact CE1-NE1 3.31Å; H290-W337 AromaticContact ND1-NE1 3.52Å; H290-W337 AromaticContact NE2-CD1 3.53Å; H290-W337 AromaticContact NE2-NE1 3.47Å; H290-W337 PolarHBondContact NE2-NE1 2.89Å; H290-W337 PolarHBondContact O-NE1 2.68Å
291G82.2Confident80.6Confident2 Ų222.7 Ų22.72%0.02113%0.126CC..  trans-80.6-126.9169.200000112.6H416G291-H416 WeakPolarHBondContact CA-O 3.38Å; G291-H416 PolarHBondContact N-O 3.47Å
292I75.6Confident80.1Confident34 Ų3421.5 Ų21.517%0.17412%0.12CC..SBendtrans-84.9163.1178.667.1175.2000111.9S366 D369 I370 L418 F703I292-S366 WeakPolarHBondContact CB-O 3.31Å; I292-D369 WeakPolarHBondContact CA-OD2 3.45Å; I292-D369 HydrophobicContact CB-CB 4.13Å; I292-D369 HydrophobicContact CG2-CB 3.85Å; I292-I370 HydrophobicContact CD1-CD1 4.33Å; I292-I370 HydrophobicContact CG2-CD1 4.48Å; I292-I370 HydrophobicContact CG2-CG1 3.86Å; I292-L418 HydrophobicContact CG2-CB 3.78Å; I292-L418 HydrophobicContact CG2-CD2 3.66Å; I292-L418 HydrophobicContact CG2-CG 4.37Å; I292-F703 HydrophobicContact CD1-CE1 3.92Å
293G62Low79.5Confident3 Ų324 Ų243%0.03113%0.133CC..  trans98.26.5165.400000116K295 M296 S365 D369G293-K295 PolarHBondContact O-N 2.88Å; G293-K295 VanDerWaalsContact O-N 3.16Å; G293-M296 WeakPolarHBondContact O-CB 3.41Å; G293-M296 WeakPolarHBondContact O-CG 3.43Å; G293-M296 PolarHBondContact O-N 3.22Å; G293-S365 CarbonylContact C-O 3.53Å; G293-S365 VanDerWaalsContact CA-O 3.24Å; G293-S365 WeakPolarHBondContact CA-O 3.41Å; G293-D369 PolarHBondContact N-OD2 3.35Å
294Q64.9Low78.9Confident6 Ų624.2 Ų24.23%0.02813%0.133CC..G310 helixtrans-61.3-27.4-178.1-178.567.413.200112.9H290 M296 G297 E336 R338H290-Q294 WeakPolarHBondContact CE1-CB 3.2Å; Q294-M296 PolarHBondContact O-N 3.01Å; Q294-G297 PolarHBondContact O-N 3.48Å; Q294-E336 PolarHBondContact NE2-OE1 2.97Å; Q294-R338 HydrophobicContact CB-CB 4.18Å; Q294-R338 HydrophobicContact CG-CB 4.37Å
295K60.7Low78.6Confident94 Ų9423 Ų2341%0.40913%0.128SC..G310 helixtrans-66.9-12.7173.9-92.2-162.2166.3-163.90113.6G293 G297G293-K295 PolarHBondContact O-N 2.88Å; G293-K295 VanDerWaalsContact O-N 3.16Å; K295-G297 VanDerWaalsContact C-N 3.3Å; K295-G297 PolarHBondContact O-N 3.46Å
296M55.2Low78.1Confident60 Ų6025.1 Ų25.130%0.29614%0.138SC..G310 helixtrans-74.1-19.8-179.5-67.7178.516100113.8G293 Q294 V362 S365 S366 F703G293-M296 WeakPolarHBondContact O-CB 3.41Å; G293-M296 WeakPolarHBondContact O-CG 3.43Å; G293-M296 PolarHBondContact O-N 3.22Å; Q294-M296 PolarHBondContact O-N 3.01Å; M296-V362 HydrophobicContact CE-CB 4.05Å; M296-V362 HydrophobicContact CE-CG1 3.48Å; M296-V362 VanDerWaalsContact CE-CG1 3.48Å; M296-V362 WeakPolarHBondContact CE-O 3.43Å; M296-S365 WeakPolarHBondContact CE-OG 3.49Å; M296-S365 WeakPolarHBondContact CG-OG 2.92Å; M296-S366 WeakPolarHBondContact CE-OG 3.42Å; M296-F703 HydrophobicContact CE-CB 4Å; M296-F703 HydrophobicContact SD-CB 4.26Å
297G55.7Low77.7Confident29 Ų2928.6 Ų28.630%0.29916%0.155SC..SBendtrans-172.7123176.400000109.1Q294 K295 N299 L300Q294-G297 PolarHBondContact O-N 3.48Å; K295-G297 VanDerWaalsContact C-N 3.3Å; K295-G297 PolarHBondContact O-N 3.46Å; G297-N299 PolarHBondContact O-N 3.24Å; G297-L300 PolarHBondContact O-N 3.19Å
298T55.7Low77.4Confident84 Ų8428.7 Ų28.752%0.51516%0.155SC..THydrogen-bonded Turntrans-58.8141.3170.565.40000108.7E95E95-T298 WeakPolarHBondContact OE1-CB 3.4Å; E95-T298 WeakPolarHBondContact OE2-CB 3.18Å; E95-T298 PolarHBondContact OE2-OG1 2.76Å
299N64Low77.3Confident14 Ų1429.7 Ų29.78%0.07516%0.159CC..THydrogen-bonded Turntrans73.111.4-174.3-44.1-78.1000117.1E95 G297 V301 L302 N303E95-N299 PolarHBondContact OE2-ND2 3.49Å; G297-N299 PolarHBondContact O-N 3.24Å; N299-V301 VanDerWaalsContact C-N 3.32Å; N299-V301 PolarHBondContact O-N 3.01Å; N299-L302 HydrophobicContact CB-CB 4Å; N299-L302 HydrophobicContact CB-CD2 4.16Å; N299-L302 PolarHBondContact O-N 2.67Å; N299-L302 VanDerWaalsContact O-N 3.15Å; N299-L302 WeakPolarHBondContact OD1-CD2 3.19Å; N299-N303 WeakPolarHBondContact O-CB 3.46Å; N299-N303 VanDerWaalsContact O-CG 3.27Å; N299-N303 PolarHBondContact O-N 3.23Å; N299-N303 PolarHBondContact O-ND2 3.03Å
300L73.9Confident77.3Confident51 Ų5133.9 Ų33.927%0.26718%0.182SC..Hα-helixtrans-57.7-47.2176.7-174.166.9000111.1G297 L302 N303 N304G297-L300 PolarHBondContact O-N 3.19Å; L300-L302 PolarHBondContact O-N 2.96Å; L300-N303 PolarHBondContact O-N 3.49Å; L300-N304 WeakPolarHBondContact O-CB 3.1Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 2.84Å
301V82.1Confident77.5Confident0 Ų034.6 Ų34.60%019%0.187CC..Hα-helixtrans-65.1-36.3174.867.50000113V288 H290 N299 N304 C305 P334 E336V288-V301 HydrophobicContact CG1-CG2 4.41Å; H290-V301 HydrophobicContact CB-CB 4Å; H290-V301 HydrophobicContact CB-CG2 3.93Å; N299-V301 VanDerWaalsContact C-N 3.32Å; N299-V301 PolarHBondContact O-N 3.01Å; V301-N304 PolarHBondContact O-N 2.87Å; V301-C305 WeakPolarHBondContact O-CB 3.4Å; V301-C305 PolarHBondContact O-N 3.39Å; V301-P334 HydrophobicContact CG1-CB 4.11Å; V301-P334 HydrophobicContact CG2-CB 4.05Å; V301-E336 HydrophobicContact CG1-CG 3.32Å
302L84.5Confident78.1Confident17 Ų1734.6 Ų34.69%0.08919%0.186CC..Hα-helixtrans-65.4-43.7177.3173.565000111.1W92 N299 L300 C305 N306 P334W92-L302 HydrophobicContact CD2-CD1 3.89Å; W92-L302 HydrophobicContact CE3-CD1 4.33Å; W92-L302 HydrophobicContact CG-CD1 4.4Å; W92-L302 HydrophobicContact CG-CD2 4.5Å; W92-L302 HydrophobicContact CH2-CD1 4.25Å; W92-L302 HydrophobicContact CZ2-CD1 3.75Å; N299-L302 HydrophobicContact CB-CB 4Å; N299-L302 HydrophobicContact CB-CD2 4.16Å; N299-L302 PolarHBondContact O-N 2.67Å; N299-L302 VanDerWaalsContact O-N 3.15Å; N299-L302 WeakPolarHBondContact OD1-CD2 3.19Å; L300-L302 PolarHBondContact O-N 2.96Å; L302-C305 PolarHBondContact O-N 3.33Å; L302-N306 WeakPolarHBondContact O-CB 3.22Å; L302-N306 PolarHBondContact O-N 3.11Å; L302-N306 PolarHBondContact O-ND2 3.3Å; L302-P334 HydrophobicContact CB-CG 4.42Å; L302-P334 HydrophobicContact CD1-CG 3.79Å
303N83.4Confident79Confident55 Ų5536.2 Ų36.229%0.29420%0.195SC..Hα-helixtrans-62.8-48.3176.1-68.3-20.9000110.8N299 L300 C305 N306 E307N299-N303 WeakPolarHBondContact O-CB 3.46Å; N299-N303 VanDerWaalsContact O-CG 3.27Å; N299-N303 PolarHBondContact O-N 3.23Å; N299-N303 PolarHBondContact O-ND2 3.03Å; L300-N303 PolarHBondContact O-N 3.49Å; N303-C305 VanDerWaalsContact C-N 3.27Å; N303-C305 PolarHBondContact O-N 3.45Å; N303-N306 PolarHBondContact O-N 3.16Å; N303-N306 VanDerWaalsContact O-N 3.12Å; N303-E307 WeakPolarHBondContact O-CG 3.24Å; N303-E307 PolarHBondContact O-N 3.19Å
304N85Confident80.5Confident26 Ų2642.5 Ų42.514%0.13922%0.222CC..Hα-helixtrans-58.7-39.7175.7-68.2-21.6000111.9L300 V301 E307 L308 W810L300-N304 WeakPolarHBondContact O-CB 3.1Å; L300-N304 PolarHBondContact O-N 3.11Å; L300-N304 PolarHBondContact O-ND2 2.84Å; V301-N304 PolarHBondContact O-N 2.87Å; N304-E307 PolarHBondContact O-N 2.85Å; N304-L308 VanDerWaalsContact O-CB 3.31Å; N304-L308 WeakPolarHBondContact O-CB 3.29Å; N304-L308 PolarHBondContact O-N 3.5Å; N304-W810 HydrophobicContact CB-CB 4.06Å; N304-W810 HydrophobicContact CB-CD2 4.13Å; N304-W810 HydrophobicContact CB-CG 3.71Å; N304-W810 PolarHBondContact ND2-NE1 2.85Å
305C91.4Very high81.8Confident0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-67.2-39176.5-174.70000111.9V288 V301 L302 N303 R309 P334V288-C305 HydrophobicContact CB-CB 4.39Å; V288-C305 HydrophobicContact CG1-CB 4.35Å; V288-C305 HydrophobicContact CG2-CB 4.49Å; V301-C305 WeakPolarHBondContact O-CB 3.4Å; V301-C305 PolarHBondContact O-N 3.39Å; L302-C305 PolarHBondContact O-N 3.33Å; N303-C305 VanDerWaalsContact C-N 3.27Å; N303-C305 PolarHBondContact O-N 3.45Å; C305-R309 WeakPolarHBondContact O-CB 3.29Å; C305-R309 PolarHBondContact O-N 3.36Å; C305-P334 HydrophobicContact CB-CB 3.94Å; C305-P334 HydrophobicContact CB-CG 4.45Å
306N89.3Confident83.5Confident43 Ų4339 Ų3923%0.2321%0.207CC..Hα-helixtrans-65.7-44.3173.9-68.9-23.8000112L302 N303 L308 R309 D310L302-N306 WeakPolarHBondContact O-CB 3.22Å; L302-N306 PolarHBondContact O-N 3.11Å; L302-N306 PolarHBondContact O-ND2 3.3Å; N303-N306 PolarHBondContact O-N 3.16Å; N303-N306 VanDerWaalsContact O-N 3.12Å; N306-L308 VanDerWaalsContact C-N 3.34Å; N306-L308 PolarHBondContact O-N 3.13Å; N306-R309 PolarHBondContact O-N 3.45Å; N306-R309 PolarHBondContact OD1-NH1 3.39Å; N306-D310 VanDerWaalsContact O-CG 3.28Å; N306-D310 PolarHBondContact O-N 3.41Å
307E88Confident85.2Confident73 Ų7340.3 Ų40.334%0.34122%0.222SC..Hα-helixtrans-64-39.3176.5-69.1176.4174.700112.2N303 N304 T311 T811N303-E307 WeakPolarHBondContact O-CG 3.24Å; N303-E307 PolarHBondContact O-N 3.19Å; N304-E307 PolarHBondContact O-N 2.85Å; E307-T311 WeakPolarHBondContact O-CB 3.19Å; E307-T311 PolarHBondContact O-N 3.44Å; E307-T311 PolarHBondContact O-OG1 2.86Å; E307-T811 HydrophobicContact CB-CG2 3.98Å; E307-T811 HydrophobicContact CG-CG2 4.46Å; E307-T811 WeakPolarHBondContact OE2-CG2 3.27Å
308L92.9Very high87Confident3 Ų347.9 Ų47.92%0.01624%0.241CC..Hα-helixtrans-60-49.1172176.363.8000110.8V288 N304 N306 T311 C312 F332 I414 C816V288-L308 HydrophobicContact CG2-CD2 3.91Å; N304-L308 VanDerWaalsContact O-CB 3.31Å; N304-L308 WeakPolarHBondContact O-CB 3.29Å; N304-L308 PolarHBondContact O-N 3.5Å; N306-L308 VanDerWaalsContact C-N 3.34Å; N306-L308 PolarHBondContact O-N 3.13Å; L308-T311 PolarHBondContact O-N 3.3Å; L308-C312 WeakPolarHBondContact O-CB 3.25Å; L308-C312 PolarHBondContact O-N 3.45Å; L308-C312 PolarHBondContact O-SG 2.93Å; L308-C312 VanDerWaalsContact O-SG 3.36Å; L308-F332 HydrophobicContact CD2-CD1 3.68Å; L308-F332 HydrophobicContact CD2-CE1 3.92Å; L308-F332 HydrophobicContact CD2-CG 4.31Å; L308-F332 HydrophobicContact CG-CD1 4.21Å; L308-F332 HydrophobicContact CG-CE1 4.2Å; L308-I414 HydrophobicContact CD2-CD1 3.92Å; L308-C816 VanDerWaalsContact CD1-SG 3.51Å
309R94.5Very high88.7Confident21 Ų2146.3 Ų46.38%0.07923%0.226CC..Hα-helixtrans-58.6-50.8178.1-171.9-178.4-56.492.5-0.8111.6C305 N306 T311 C312 D313 E331 F332C305-R309 WeakPolarHBondContact O-CB 3.29Å; C305-R309 PolarHBondContact O-N 3.36Å; N306-R309 PolarHBondContact O-N 3.45Å; N306-R309 PolarHBondContact OD1-NH1 3.39Å; R309-T311 PolarHBondContact O-N 3.4Å; R309-C312 PolarHBondContact O-N 2.82Å; R309-D313 WeakPolarHBondContact O-CB 3.24Å; R309-D313 PolarHBondContact O-N 2.92Å; R309-E331 IonicContact CZ-OE1 3.65Å; R309-E331 IonicContact NE-OE1 2.8Å; R309-E331 PolarHBondContact NE-OE1 3.19Å; R309-E331 IonicContact NH2-OE1 3.53Å; R309-E331 PolarHBondContact NH2-OE1 3.15Å; R309-F332 HydrophobicContact CB-CD2 4.04Å; R309-F332 HydrophobicContact CG-CD2 4.15Å; R309-F332 PolarHBondContact NH2-O 3.35Å
310D92.6Very high90.1Very high88 Ų8845.7 Ų45.747%0.47122%0.223SC..Hα-helixtrans-60.5-36.1-179.9-70.3-8.3000112.1N306 K314N306-D310 VanDerWaalsContact O-CG 3.28Å; N306-D310 PolarHBondContact O-N 3.41Å; D310-K314 WeakPolarHBondContact O-CD 3.45Å; D310-K314 VanDerWaalsContact O-CG 3.29Å; D310-K314 WeakPolarHBondContact O-CG 3.35Å; D310-K314 PolarHBondContact O-N 3.49Å
311T94Very high90.8Very high24 Ų2446.3 Ų46.315%0.14723%0.231CC..Hα-helixtrans-72.8-43.7177.6-55.80000111.2E307 L308 R309 D313 K314 I315 A813 C816E307-T311 WeakPolarHBondContact O-CB 3.19Å; E307-T311 PolarHBondContact O-N 3.44Å; E307-T311 PolarHBondContact O-OG1 2.86Å; L308-T311 PolarHBondContact O-N 3.3Å; R309-T311 PolarHBondContact O-N 3.4Å; T311-D313 VanDerWaalsContact C-N 3.33Å; T311-D313 PolarHBondContact O-N 2.93Å; T311-K314 PolarHBondContact O-N 3.32Å; T311-I315 HydrophobicContact CG2-CD1 4.21Å; T311-I315 WeakPolarHBondContact O-CG1 3.48Å; T311-I315 PolarHBondContact O-N 3.07Å; T311-A813 HydrophobicContact CG2-CB 4.23Å; T311-C816 HydrophobicContact CG2-CB 3.91Å; T311-C816 VanDerWaalsContact CG2-SG 3.6Å
312C95.5Very high91.3Very high1 Ų149.6 Ų49.61%0.00725%0.247CC..Hα-helixtrans-62.4-38174.1-74.40000112.1L308 R309 I315 K316 F332 M820L308-C312 WeakPolarHBondContact O-CB 3.25Å; L308-C312 PolarHBondContact O-N 3.45Å; L308-C312 PolarHBondContact O-SG 2.93Å; L308-C312 VanDerWaalsContact O-SG 3.36Å; R309-C312 PolarHBondContact O-N 2.82Å; C312-I315 PolarHBondContact O-N 3.08Å; C312-K316 WeakPolarHBondContact O-CB 3.18Å; C312-K316 PolarHBondContact O-N 2.97Å; C312-F332 HydrophobicContact CB-CE2 3.81Å; C312-F332 HydrophobicContact CB-CZ 3.98Å; C312-F332 VanDerWaalsContact SG-CZ 3.58Å; C312-M820 HydrophobicContact CB-CG 4.48Å; C312-M820 HydrophobicContact CB-SD 4.21Å
313D93.3Very high91.7Very high69 Ų6948.9 Ų48.937%0.36924%0.243SC..Hα-helixtrans-65.3-42.8176.3-75.9-21.3000111.5R309 T311 I315 K316 S317R309-D313 WeakPolarHBondContact O-CB 3.24Å; R309-D313 PolarHBondContact O-N 2.92Å; T311-D313 VanDerWaalsContact C-N 3.33Å; T311-D313 PolarHBondContact O-N 2.93Å; D313-I315 VanDerWaalsContact C-N 3.3Å; D313-I315 PolarHBondContact O-N 3.04Å; D313-K316 WeakPolarHBondContact O-CB 3.38Å; D313-K316 PolarHBondContact O-N 3.33Å; D313-S317 PolarHBondContact O-N 3.28Å; D313-S317 PolarHBondContact O-OG 3.41Å
314K93.6Very high92.1Very high135 Ų13550.3 Ų50.359%0.58725%0.25SS*.Hα-helixtrans-60.4-39.7172.9-71.8165.9-171.3164.80112.3D310 T311 R318D310-K314 WeakPolarHBondContact O-CD 3.45Å; D310-K314 VanDerWaalsContact O-CG 3.29Å; D310-K314 WeakPolarHBondContact O-CG 3.35Å; D310-K314 PolarHBondContact O-N 3.49Å; T311-K314 PolarHBondContact O-N 3.32Å; K314-R318 WeakPolarHBondContact O-CG 3.42Å; K314-R318 PolarHBondContact O-N 3.05Å
315I93.5Very high92.4Very high7 Ų758.3 Ų58.34%0.03628%0.284CS..Hα-helixtrans-69.4-42.8176.9-73.3168.9000110.5T311 C312 D313 S317 R318 Y319 F320 V640 A813 C816 M817 M820T311-I315 HydrophobicContact CG2-CD1 4.21Å; T311-I315 WeakPolarHBondContact O-CG1 3.48Å; T311-I315 PolarHBondContact O-N 3.07Å; C312-I315 PolarHBondContact O-N 3.08Å; D313-I315 VanDerWaalsContact C-N 3.3Å; D313-I315 PolarHBondContact O-N 3.04Å; I315-S317 PolarHBondContact O-N 3.05Å; I315-R318 PolarHBondContact O-N 3.41Å; I315-R318 VanDerWaalsContact O-N 3.14Å; I315-Y319 HydrophobicContact CG2-CD2 4.08Å; I315-Y319 PolarHBondContact O-N 3.26Å; I315-F320 HydrophobicContact CG2-CD2 4.13Å; I315-F320 HydrophobicContact CG2-CE2 3.94Å; I315-V640 HydrophobicContact CD1-CG2 4.44Å; I315-V640 HydrophobicContact CG1-CG2 4.35Å; I315-A813 WeakPolarHBondContact CD1-O 3.21Å; I315-C816 HydrophobicContact CD1-CB 3.4Å; I315-M817 HydrophobicContact CD1-CB 4.22Å; I315-M817 HydrophobicContact CG2-SD 3.62Å; I315-M820 HydrophobicContact CG2-CB 4.46Å; I315-M820 HydrophobicContact CG2-CG 4.24Å
316K94.4Very high92.4Very high20 Ų2062.1 Ų62.19%0.08730%0.302CS..Hα-helixtrans-56.4-50.3176178.1-173.1164.6-174.60110.8C312 D313 R318 F320 S321 L323 D324 M820C312-K316 WeakPolarHBondContact O-CB 3.18Å; C312-K316 PolarHBondContact O-N 2.97Å; D313-K316 WeakPolarHBondContact O-CB 3.38Å; D313-K316 PolarHBondContact O-N 3.33Å; K316-R318 PolarHBondContact O-N 3.42Å; K316-F320 HydrophobicContact CG-CB 4.36Å; K316-F320 CarbonylContact O-C 3.57Å; K316-F320 WeakPolarHBondContact O-CA 3.15Å; K316-F320 PolarHBondContact O-N 2.81Å; K316-S321 PolarHBondContact O-N 2.9Å; K316-S321 VanDerWaalsContact O-N 3.12Å; K316-L323 HydrophobicContact CG-CD1 4.48Å; K316-D324 WeakPolarHBondContact CE-OD1 3.49Å; K316-D324 IonicContact NZ-OD1 2.91Å; K316-D324 PolarHBondContact NZ-OD1 3.49Å; K316-M820 HydrophobicContact CB-CE 4.07Å
317S92.6Very high92.7Very high87 Ų8763.4 Ų63.461%0.60831%0.309SS*.Hα-helixtrans-61.5-27.9179.5-58.80000113.6D313 I315D313-S317 PolarHBondContact O-N 3.28Å; D313-S317 PolarHBondContact O-OG 3.41Å; I315-S317 PolarHBondContact O-N 3.05Å
318R92.3Very high93Very high187 Ų18763.8 Ų63.871%0.70631%0.309SS*.Hα-helixtrans-89-43.9-178.3-72-179.4-178.6-172.90.7113.8K314 I315 K316K314-R318 WeakPolarHBondContact O-CG 3.42Å; K314-R318 PolarHBondContact O-N 3.05Å; I315-R318 PolarHBondContact O-N 3.41Å; I315-R318 VanDerWaalsContact O-N 3.14Å; K316-R318 PolarHBondContact O-N 3.42Å
319Y91.3Very high93.2Very high52 Ų5264.7 Ų64.720%0.20431%0.312CS..Hα-helixtrans-118.7-15.8-168.3-56.1-76.7000113.8I315 V640 M817I315-Y319 HydrophobicContact CG2-CD2 4.08Å; I315-Y319 PolarHBondContact O-N 3.26Å; Y319-V640 HydrophobicContact CE2-CG2 3.95Å; Y319-V640 PolarHBondContact OH-O 3.37Å; Y319-M817 HydrophobicContact CD2-CE 4.48Å; Y319-M817 HydrophobicContact CD2-SD 4Å; Y319-M817 HydrophobicContact CG-CE 4.17Å; Y319-M817 HydrophobicContact CG-SD 4.27Å
320F93Very high93.3Very high0 Ų064.1 Ų64.10%031%0.311CS..  trans-130.135.1-175.9-56-94.9000112.2I315 K316 H322 L323 M817 M820 F824 L826I315-F320 HydrophobicContact CG2-CD2 4.13Å; I315-F320 HydrophobicContact CG2-CE2 3.94Å; K316-F320 HydrophobicContact CG-CB 4.36Å; K316-F320 CarbonylContact O-C 3.57Å; K316-F320 WeakPolarHBondContact O-CA 3.15Å; K316-F320 PolarHBondContact O-N 2.81Å; F320-H322 PolarHBondContact O-N 2.58Å; F320-L323 HydrophobicContact CB-CD1 3.62Å; F320-L323 HydrophobicContact CB-CG 3.98Å; F320-L323 HydrophobicContact CD1-CD1 4.47Å; F320-L323 HydrophobicContact CG-CD1 4.35Å; F320-L323 WeakPolarHBondContact O-CB 3.09Å; F320-L323 WeakPolarHBondContact O-CG 3.41Å; F320-L323 PolarHBondContact O-N 3.35Å; F320-M817 HydrophobicContact CE2-CE 3.91Å; F320-M817 HydrophobicContact CE2-SD 3.85Å; F320-M817 HydrophobicContact CZ-CE 4.04Å; F320-M817 HydrophobicContact CZ-SD 4.42Å; F320-M820 HydrophobicContact CD2-CB 4.43Å; F320-M820 HydrophobicContact CD2-CE 4.18Å; F320-M820 HydrophobicContact CE2-CB 3.78Å; F320-M820 HydrophobicContact CG-CE 4.39Å; F320-M820 HydrophobicContact CZ-CB 3.97Å; F320-F824 HydrophobicContact CD1-CB 4.25Å; F320-F824 HydrophobicContact CE1-CB 4.34Å; F320-L826 HydrophobicContact CD1-CD2 3.85Å; F320-L826 HydrophobicContact CE1-CD2 3.5Å; F320-L826 HydrophobicContact CE1-CG 3.93Å; F320-L826 HydrophobicContact CZ-CD2 4.28Å; F320-L826 HydrophobicContact CZ-CG 4.47Å
321S90.5Very high93.5Very high64 Ų6460.1 Ų60.145%0.44829%0.29SS..THydrogen-bonded Turntrans-63.6-21.8-178.162.40000113.3K316 L323 D324K316-S321 PolarHBondContact O-N 2.9Å; K316-S321 VanDerWaalsContact O-N 3.12Å; S321-L323 PolarHBondContact O-N 2.75Å; S321-D324 PolarHBondContact O-N 3.21Å
322H92Very high93.6Very high69 Ų6959 Ų5932%0.31928%0.283SS..Hα-helixtrans-61.9-26.7173.268-86.8000113F320 D324 K325 E326F320-H322 PolarHBondContact O-N 2.58Å; H322-D324 PolarHBondContact O-N 2.93Å; H322-K325 WeakPolarHBondContact O-CB 3.43Å; H322-K325 PolarHBondContact O-N 2.83Å; H322-E326 IonicContact CD2-OE1 3.19Å; H322-E326 PolarHBondContact O-N 3.39Å; H322-E326 VanDerWaalsContact O-N 3.11Å
323L93.7Very high93.7Very high3 Ų359 Ų592%0.01628%0.283CS..Hα-helixtrans-61.8-31.2-178.1-66.6179.2000112.8K316 F320 S321 K325 E326 N327 K328 M820 F824K316-L323 HydrophobicContact CG-CD1 4.48Å; F320-L323 HydrophobicContact CB-CD1 3.62Å; F320-L323 HydrophobicContact CB-CG 3.98Å; F320-L323 HydrophobicContact CD1-CD1 4.47Å; F320-L323 HydrophobicContact CG-CD1 4.35Å; F320-L323 WeakPolarHBondContact O-CB 3.09Å; F320-L323 WeakPolarHBondContact O-CG 3.41Å; F320-L323 PolarHBondContact O-N 3.35Å; S321-L323 PolarHBondContact O-N 2.75Å; L323-K325 VanDerWaalsContact C-N 3.35Å; L323-E326 CarbonylContact O-C 3.46Å; L323-E326 PolarHBondContact O-N 2.62Å; L323-N327 PolarHBondContact O-N 3.49Å; L323-N327 VanDerWaalsContact O-N 3.09Å; L323-K328 HydrophobicContact CB-CB 4.45Å; L323-K328 HydrophobicContact CD2-CB 4.17Å; L323-K328 HydrophobicContact CD2-CD 4.42Å; L323-K328 PolarHBondContact O-N 3.3Å; L323-M820 HydrophobicContact CD1-CE 4.49Å; L323-F824 HydrophobicContact CD1-CB 4.27Å; L323-F824 HydrophobicContact CD1-CD1 4.1Å; L323-F824 HydrophobicContact CD1-CD2 3.65Å; L323-F824 HydrophobicContact CD1-CE1 4.4Å; L323-F824 HydrophobicContact CD1-CE2 3.98Å; L323-F824 HydrophobicContact CD1-CG 3.72Å; L323-F824 HydrophobicContact CD1-CZ 4.35Å; L323-F824 HydrophobicContact CD2-CB 4.28Å; L323-F824 HydrophobicContact CD2-CD1 3.75Å; L323-F824 HydrophobicContact CD2-CE1 4.3Å; L323-F824 HydrophobicContact CD2-CG 4Å
324D90.4Very high93.7Very high84 Ų8456 Ų5645%0.44927%0.267SS..Hα-helixtrans-66-39.2175.7-68.2-39.3000111.3K316 S321 H322 E326 N327K316-D324 WeakPolarHBondContact CE-OD1 3.49Å; K316-D324 IonicContact NZ-OD1 2.91Å; K316-D324 PolarHBondContact NZ-OD1 3.49Å; S321-D324 PolarHBondContact O-N 3.21Å; H322-D324 PolarHBondContact O-N 2.93Å; D324-E326 VanDerWaalsContact C-N 3.29Å; D324-E326 PolarHBondContact O-N 3.16Å; D324-N327 PolarHBondContact O-N 3.25Å; D324-N327 VanDerWaalsContact O-N 3.16Å
325K90.9Very high93.6Very high195 Ų19549.6 Ų49.685%0.84824%0.239SC*.Hα-helixtrans-67.9-30.8174.9-62.3179.3-178.3173.40112.3H322 L323 N327H322-K325 WeakPolarHBondContact O-CB 3.43Å; H322-K325 PolarHBondContact O-N 2.83Å; L323-K325 VanDerWaalsContact C-N 3.35Å; K325-N327 VanDerWaalsContact C-N 3.27Å
326E92.9Very high93.2Very high80 Ų8050.1 Ų50.137%0.37424%0.241SC..THydrogen-bonded Turntrans-83.50.2175.5-65-173.2-16900113.5H322 L323 D324 K328H322-E326 IonicContact CD2-OE1 3.19Å; H322-E326 PolarHBondContact O-N 3.39Å; H322-E326 VanDerWaalsContact O-N 3.11Å; L323-E326 CarbonylContact O-C 3.46Å; L323-E326 PolarHBondContact O-N 2.62Å; D324-E326 VanDerWaalsContact C-N 3.29Å; D324-E326 PolarHBondContact O-N 3.16Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 HydrophobicContact CB-CD 4.07Å; E326-K328 HydrophobicContact CB-CG 4.22Å; E326-K328 PolarHBondContact O-N 2.84Å; E326-K328 WeakPolarHBondContact OE2-CE 3.21Å; E326-K328 IonicContact OE2-NZ 3.26Å; E326-K328 PolarHBondContact OE2-NZ 3.43Å
327N94.3Very high92.7Very high69 Ų6949.1 Ų49.137%0.36924%0.237SC..THydrogen-bonded Turntrans53.346.2-174.8-17233.8000112.6A280 D281 L323 D324 K325A280-N327 VanDerWaalsContact CA-OD1 3.25Å; A280-N327 WeakPolarHBondContact CA-OD1 3.12Å; D281-N327 PolarHBondContact N-OD1 3.08Å; D281-N327 PolarHBondContact OD2-ND2 2.79Å; L323-N327 PolarHBondContact O-N 3.49Å; L323-N327 VanDerWaalsContact O-N 3.09Å; D324-N327 PolarHBondContact O-N 3.25Å; D324-N327 VanDerWaalsContact O-N 3.16Å; K325-N327 VanDerWaalsContact C-N 3.27Å
328K95.3Very high92Very high82 Ų8245.2 Ų45.236%0.35721%0.209SC..  trans-122.6140.6179.7-69.6175.3-171.2163.90111.7L323 E326 F824L323-K328 HydrophobicContact CB-CB 4.45Å; L323-K328 HydrophobicContact CD2-CB 4.17Å; L323-K328 HydrophobicContact CD2-CD 4.42Å; L323-K328 PolarHBondContact O-N 3.3Å; E326-K328 VanDerWaalsContact C-N 3.31Å; E326-K328 HydrophobicContact CB-CD 4.07Å; E326-K328 HydrophobicContact CB-CG 4.22Å; E326-K328 PolarHBondContact O-N 2.84Å; E326-K328 WeakPolarHBondContact OE2-CE 3.21Å; E326-K328 IonicContact OE2-NZ 3.26Å; E326-K328 PolarHBondContact OE2-NZ 3.43Å; K328-F824 HydrophobicContact CB-CE1 4.44Å
329R95.6Very high90.9Very high21 Ų2139.7 Ų39.78%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-149.7166.9163.369.5-177-175.593.4-8112.4G75 A280 D281 I282 S283 H284 E331G75-R329 PolarHBondContact O-NH2 2.88Å; A280-R329 HydrophobicContact CB-CB 4.4Å; A280-R329 WeakPolarHBondContact O-CD 3.5Å; A280-R329 WeakPolarHBondContact O-CG 3.48Å; A280-R329 PolarHBondContact O-NE 2.73Å; D281-R329 PolarHBondContact O-N 3.33Å; I282-R329 VanDerWaalsContact CD1-NH2 3.32Å; I282-R329 HydrophobicContact CG1-CG 4.34Å; S283-R329 PolarHBondContact N-O 3.15Å; S283-R329 PolarHBondContact OG-O 3.49Å; H284-R329 PolarHBondContact N-O 3.39Å; R329-E331 IonicContact CZ-OE2 3.09Å; R329-E331 IonicContact NH1-OE2 2.67Å; R329-E331 PolarHBondContact NH1-OE2 2.98Å; R329-E331 IonicContact NH2-OE2 2.69Å; R329-E331 PolarHBondContact NH2-OE2 3.46Å
330V97.3Very high89.8Confident9 Ų942.5 Ų42.56%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-93.8148.5163.957.10000109.4H284 C286 F332 M820 L823 F824H284-V330 HydrophobicContact CB-CB 4.37Å; H284-V330 HydrophobicContact CB-CG2 4.36Å; H284-V330 CarbonylContact O-C 3.58Å; H284-V330 VanDerWaalsContact O-CA 3.26Å; H284-V330 WeakPolarHBondContact O-CA 3.4Å; C286-V330 HydrophobicContact CB-CG2 4.38Å; V330-F332 HydrophobicContact CB-CE2 4.45Å; V330-F332 HydrophobicContact CB-CZ 4.41Å; V330-F332 HydrophobicContact CG1-CE2 3.67Å; V330-F332 HydrophobicContact CG1-CZ 3.77Å; V330-F332 HydrophobicContact CG2-CD2 4.48Å; V330-F332 HydrophobicContact CG2-CE1 4.01Å; V330-F332 HydrophobicContact CG2-CE2 3.96Å; V330-F332 HydrophobicContact CG2-CZ 3.69Å; V330-M820 HydrophobicContact CG1-SD 3.82Å; V330-L823 HydrophobicContact CB-CD1 4.17Å; V330-L823 HydrophobicContact CG2-CD1 3.68Å; V330-F824 HydrophobicContact CB-CE2 3.91Å; V330-F824 HydrophobicContact CB-CZ 4.12Å; V330-F824 HydrophobicContact CG1-CE2 4.11Å
331E96.9Very high88.6Confident4 Ų443.3 Ų43.32%0.01922%0.223CC..EExtended strand (participates in β ladder)trans-124.5144.7165.1-17556.7-100.100110L77 I282 H284 L285 C286 R309 R329 L333L77-E331 HydrophobicContact CD2-CG 4.13Å; I282-E331 HydrophobicContact CD1-CB 3.8Å; I282-E331 HydrophobicContact CD1-CG 4.09Å; I282-E331 HydrophobicContact CG1-CB 4.07Å; I282-E331 HydrophobicContact CG2-CB 3.93Å; H284-E331 PolarHBondContact O-N 3.36Å; L285-E331 HydrophobicContact CD1-CB 4.44Å; C286-E331 PolarHBondContact N-O 3.47Å; R309-E331 IonicContact CZ-OE1 3.65Å; R309-E331 IonicContact NE-OE1 2.8Å; R309-E331 PolarHBondContact NE-OE1 3.19Å; R309-E331 IonicContact NH2-OE1 3.53Å; R309-E331 PolarHBondContact NH2-OE1 3.15Å; R329-E331 IonicContact CZ-OE2 3.09Å; R329-E331 IonicContact NH1-OE2 2.67Å; R329-E331 PolarHBondContact NH1-OE2 2.98Å; R329-E331 IonicContact NH2-OE2 2.69Å; R329-E331 PolarHBondContact NH2-OE2 3.46Å; E331-L333 HydrophobicContact CG-CD2 4.43Å
332F97Very high87.5Confident1 Ų145.2 Ų45.20%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-112.8129.1179.6-57.7-86.9000109.1C286 V288 L308 R309 C312 V330 I414C286-F332 HydrophobicContact CB-CD1 3.49Å; C286-F332 VanDerWaalsContact CB-CD1 3.49Å; C286-F332 HydrophobicContact CB-CE1 3.82Å; C286-F332 HydrophobicContact CB-CG 4.38Å; C286-F332 CarbonylContact O-C 3.58Å; C286-F332 WeakPolarHBondContact O-CA 3.41Å; V288-F332 HydrophobicContact CG2-CB 4.08Å; V288-F332 HydrophobicContact CG2-CD1 4.21Å; L308-F332 HydrophobicContact CD2-CD1 3.68Å; L308-F332 HydrophobicContact CD2-CE1 3.92Å; L308-F332 HydrophobicContact CD2-CG 4.31Å; L308-F332 HydrophobicContact CG-CD1 4.21Å; L308-F332 HydrophobicContact CG-CE1 4.2Å; R309-F332 HydrophobicContact CB-CD2 4.04Å; R309-F332 HydrophobicContact CG-CD2 4.15Å; R309-F332 PolarHBondContact NH2-O 3.35Å; C312-F332 HydrophobicContact CB-CE2 3.81Å; C312-F332 HydrophobicContact CB-CZ 3.98Å; C312-F332 VanDerWaalsContact SG-CZ 3.58Å; V330-F332 HydrophobicContact CB-CE2 4.45Å; V330-F332 HydrophobicContact CB-CZ 4.41Å; V330-F332 HydrophobicContact CG1-CE2 3.67Å; V330-F332 HydrophobicContact CG1-CZ 3.77Å; V330-F332 HydrophobicContact CG2-CD2 4.48Å; V330-F332 HydrophobicContact CG2-CE1 4.01Å; V330-F332 HydrophobicContact CG2-CE2 3.96Å; V330-F332 HydrophobicContact CG2-CZ 3.69Å; F332-I414 HydrophobicContact CD1-CD1 4.04Å; F332-I414 HydrophobicContact CE1-CD1 3.84Å
333L95.9Very high86.3Confident0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-118.1123.8175.3-65.4-175.9000110.1L77 Y91 W92 L285 C286 F287 V288 E331L77-L333 HydrophobicContact CD2-CD2 4.09Å; Y91-L333 HydrophobicContact CD1-CD1 3.94Å; Y91-L333 HydrophobicContact CD1-CD2 4.32Å; Y91-L333 HydrophobicContact CD2-CD2 3.55Å; Y91-L333 HydrophobicContact CE1-CD1 4.07Å; Y91-L333 HydrophobicContact CE2-CD2 3.93Å; Y91-L333 HydrophobicContact CG-CD1 4.2Å; Y91-L333 HydrophobicContact CG-CD2 3.77Å; W92-L333 HydrophobicContact CZ3-CD2 4.29Å; L285-L333 HydrophobicContact CD1-CD1 3.76Å; L285-L333 HydrophobicContact CD1-CG 3.82Å; C286-L333 PolarHBondContact O-N 3.42Å; F287-L333 HydrophobicContact CD1-CB 4.11Å; F287-L333 HydrophobicContact CE1-CB 4.24Å; F287-L333 HydrophobicContact CE1-CD1 4.15Å; V288-L333 PolarHBondContact N-O 3.25Å; E331-L333 HydrophobicContact CG-CD2 4.43Å
334P93.4Very high85Confident7 Ų742.7 Ų42.75%0.04521%0.213CC..EExtended strand (participates in β ladder)trans-70140.617530.7-32.5000110.3W92 V301 L302 C305W92-P334 HydrophobicContact CE3-CG 4.01Å; W92-P334 HydrophobicContact CZ3-CG 4.44Å; V301-P334 HydrophobicContact CG1-CB 4.11Å; V301-P334 HydrophobicContact CG2-CB 4.05Å; L302-P334 HydrophobicContact CB-CG 4.42Å; L302-P334 HydrophobicContact CD1-CG 3.79Å; C305-P334 HydrophobicContact CB-CB 3.94Å; C305-P334 HydrophobicContact CB-CG 4.45Å
335V92.2Very high83.9Confident0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-114.3110.7177.8-177.80000109.2F287 V288 I289 H290 W337 L386 E389 L390 L393F287-V335 HydrophobicContact CB-CG2 3.85Å; F287-V335 HydrophobicContact CD1-CG2 3.79Å; F287-V335 HydrophobicContact CG-CG2 4.19Å; V288-V335 PolarHBondContact O-N 3.4Å; I289-V335 HydrophobicContact CG1-CB 3.71Å; I289-V335 HydrophobicContact CG1-CG1 4.1Å; I289-V335 HydrophobicContact CG1-CG2 3.84Å; H290-V335 PolarHBondContact CD2-O 2.82Å; V335-W337 PolarHBondContact O-N 3.3Å; V335-L386 HydrophobicContact CG1-CD1 3.69Å; V335-E389 HydrophobicContact CG1-CG 4.01Å; V335-L390 HydrophobicContact CG1-CD2 4.24Å; V335-L390 HydrophobicContact CG1-CG 4.32Å; V335-L390 HydrophobicContact CG2-CD2 3.8Å; V335-L393 HydrophobicContact CB-CD1 4.49Å; V335-L393 HydrophobicContact CG2-CD1 3.96Å
336E85.8Confident82.9Confident18 Ų1834.3 Ų34.38%0.08418%0.183CC..  trans-98.579.1-179.9-72.5-169.5145.400111.1Q294 V301Q294-E336 PolarHBondContact NE2-OE1 2.97Å; V301-E336 HydrophobicContact CG1-CG 3.32Å
337W83.8Confident82.2Confident0 Ų034 Ų340%019%0.187CC..THydrogen-bonded Turntrans-76.3-23.4-176.363.8-94.7000113.6H290 V335 L341 D369 I382 S385 L386 L422H290-W337 AromaticContact CE1-CD1 3.64Å; H290-W337 AromaticContact CE1-CE2 3.48Å; H290-W337 VanDerWaalsContact CE1-CE2 3.48Å; H290-W337 AromaticContact CE1-CZ2 3.91Å; H290-W337 AromaticContact CE1-NE1 3.07Å; H290-W337 PolarHBondContact CE1-NE1 3.31Å; H290-W337 AromaticContact ND1-NE1 3.52Å; H290-W337 AromaticContact NE2-CD1 3.53Å; H290-W337 AromaticContact NE2-NE1 3.47Å; H290-W337 PolarHBondContact NE2-NE1 2.89Å; H290-W337 PolarHBondContact O-NE1 2.68Å; V335-W337 PolarHBondContact O-N 3.3Å; W337-L341 HydrophobicContact CE3-CD1 4.04Å; W337-L341 HydrophobicContact CZ3-CD1 4.31Å; W337-L341 VanDerWaalsContact O-CD1 3.24Å; W337-L341 WeakPolarHBondContact O-CD1 3.12Å; W337-D369 HydrophobicContact CH2-CB 4.25Å; W337-I382 HydrophobicContact CE3-CG2 3.68Å; W337-I382 HydrophobicContact CH2-CG2 4.35Å; W337-I382 HydrophobicContact CZ3-CB 4.38Å; W337-I382 HydrophobicContact CZ3-CD1 4.19Å; W337-I382 HydrophobicContact CZ3-CG1 3.95Å; W337-I382 HydrophobicContact CZ3-CG2 3.58Å; W337-S385 PolarHBondContact O-OG 3.26Å; W337-L386 HydrophobicContact CB-CB 4.01Å; W337-L386 HydrophobicContact CB-CD1 3.81Å; W337-L386 HydrophobicContact CB-CG 4.5Å; W337-L386 HydrophobicContact CG-CD1 4.28Å; W337-L422 HydrophobicContact CD2-CD1 4.09Å; W337-L422 HydrophobicContact CE3-CD1 4.43Å; W337-L422 HydrophobicContact CH2-CD1 4.03Å; W337-L422 HydrophobicContact CZ2-CD1 3.63Å; W337-L422 HydrophobicContact CZ3-CD1 4.4Å
338R77.3Confident81.4Confident5 Ų532 Ų322%0.01918%0.177CC..THydrogen-bonded Turntrans-90.7-31.3-172.2-174.462.8-170.590.5-11.5114.1Q294 V340 L341 D369Q294-R338 HydrophobicContact CB-CB 4.18Å; Q294-R338 HydrophobicContact CG-CB 4.37Å; R338-V340 VanDerWaalsContact C-N 3.34Å; R338-V340 PolarHBondContact O-N 3.18Å; R338-L341 PolarHBondContact NH1-O 2.69Å; R338-L341 WeakPolarHBondContact O-CB 3.27Å; R338-L341 PolarHBondContact O-N 3.39Å; R338-D369 WeakPolarHBondContact CD-OD1 3.48Å; R338-D369 IonicContact NE-OD1 2.72Å; R338-D369 PolarHBondContact NE-OD1 2.91Å; R338-D369 VanDerWaalsContact NE-OD1 3.11Å
339T69.8Low80.5Confident70 Ų7033.4 Ų33.443%0.42919%0.185SC..THydrogen-bonded Turntrans-63.5-38.1-169.8-48.30000112.5L341T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 PolarHBondContact O-N 3.45Å
340V67.5Low79.7Confident112 Ų11236.9 Ų36.968%0.67921%0.212SC*.THydrogen-bonded Turntrans-78.5-14.1-178.4-171.80000112.4R338R338-V340 VanDerWaalsContact C-N 3.34Å; R338-V340 PolarHBondContact O-N 3.18Å
341L67.9Low79Confident16 Ų1642.3 Ų42.38%0.08424%0.24CC..  trans-85.6118.5-174.6-70.9173.1000112.1W337 R338 T339 L343 E381 I382W337-L341 HydrophobicContact CE3-CD1 4.04Å; W337-L341 HydrophobicContact CZ3-CD1 4.31Å; W337-L341 VanDerWaalsContact O-CD1 3.24Å; W337-L341 WeakPolarHBondContact O-CD1 3.12Å; R338-L341 PolarHBondContact NH1-O 2.69Å; R338-L341 WeakPolarHBondContact O-CB 3.27Å; R338-L341 PolarHBondContact O-N 3.39Å; T339-L341 VanDerWaalsContact C-N 3.29Å; T339-L341 PolarHBondContact O-N 3.45Å; L341-L343 HydrophobicContact CB-CD2 4Å; L341-L343 HydrophobicContact CB-CG 3.97Å; L341-L343 HydrophobicContact CD1-CD2 4.12Å; L341-L343 HydrophobicContact CD2-CD2 4.12Å; L341-L343 HydrophobicContact CG-CD2 4.33Å; L341-L343 PolarHBondContact O-N 2.95Å; L341-E381 HydrophobicContact CD2-CG 3.82Å; L341-I382 HydrophobicContact CD1-CB 4.44Å; L341-I382 HydrophobicContact CD1-CG1 3.91Å
342Q68.1Low78.3Confident105 Ų10543.5 Ų43.549%0.49125%0.247SC..  trans-98.361.4166.1-68.2-173.9-5.800110.4D344 G345Q342-D344 VanDerWaalsContact C-N 3.33Å; Q342-D344 PolarHBondContact O-N 3.3Å; Q342-G345 PolarHBondContact O-N 2.78Å
343L66.1Low77.6Confident3 Ų346.3 Ų46.32%0.01627%0.266CS..SBendtrans-51-50.1-172.6-62.2178.1000112.4L341 Y372 Y378 E381 I382L341-L343 HydrophobicContact CB-CD2 4Å; L341-L343 HydrophobicContact CB-CG 3.97Å; L341-L343 HydrophobicContact CD1-CD2 4.12Å; L341-L343 HydrophobicContact CD2-CD2 4.12Å; L341-L343 HydrophobicContact CG-CD2 4.33Å; L341-L343 PolarHBondContact O-N 2.95Å; L343-Y372 HydrophobicContact CB-CD1 4.12Å; L343-Y372 HydrophobicContact CB-CE1 3.92Å; L343-Y372 HydrophobicContact CB-CE2 4.46Å; L343-Y372 HydrophobicContact CD1-CD1 3.85Å; L343-Y372 HydrophobicContact CD1-CD2 3.47Å; L343-Y372 VanDerWaalsContact CD1-CD2 3.47Å; L343-Y372 HydrophobicContact CD1-CE1 4.32Å; L343-Y372 HydrophobicContact CD1-CE2 3.96Å; L343-Y372 HydrophobicContact CD1-CG 3.41Å; L343-Y372 VanDerWaalsContact CD1-CG 3.41Å; L343-Y378 HydrophobicContact CB-CD1 3.95Å; L343-Y378 HydrophobicContact CB-CE1 4.17Å; L343-Y378 HydrophobicContact CD2-CD1 4.1Å; L343-Y378 WeakPolarHBondContact O-CE1 3.33Å; L343-E381 HydrophobicContact CD2-CB 4.25Å; L343-E381 HydrophobicContact CD2-CG 4.06Å; L343-I382 HydrophobicContact CD1-CD1 4.09Å; L343-I382 HydrophobicContact CD1-CG1 4.13Å; L343-I382 HydrophobicContact CD2-CG1 4.29Å
344D67.6Low77Confident15 Ų1550.2 Ų50.28%0.0829%0.289CS..SBendtrans-109.71-173.966.6-48.6000114.9Q342 D346 T347 V348 Y372Q342-D344 VanDerWaalsContact C-N 3.33Å; Q342-D344 PolarHBondContact O-N 3.3Å; D344-D346 PolarHBondContact O-N 3.06Å; D344-T347 WeakPolarHBondContact O-CB 3.45Å; D344-T347 PolarHBondContact O-N 3.33Å; D344-T347 PolarHBondContact O-OG1 3.48Å; D344-T347 PolarHBondContact OD2-N 3.28Å; D344-V348 HydrophobicContact CB-CG2 4.02Å; D344-V348 WeakPolarHBondContact OD2-CB 3.47Å; D344-V348 WeakPolarHBondContact OD2-CG2 3.42Å; D344-V348 PolarHBondContact OD2-N 3.2Å; D344-Y372 HydrophobicContact CB-CE1 4.22Å; D344-Y372 WeakPolarHBondContact CB-OH 3.38Å; D344-Y372 PolarHBondContact OD1-OH 3.02Å; D344-Y372 PolarHBondContact OD2-OH 2.84Å
345G65.6Low76.5Confident22 Ų2256.8 Ų56.823%0.22732%0.319CS..THydrogen-bonded Turntrans52.739.6-175.800000113.2Q342 T347Q342-G345 PolarHBondContact O-N 2.78Å; G345-T347 PolarHBondContact O-N 2.87Å; G345-T347 VanDerWaalsContact O-N 3.11Å
346D71.6Confident76Confident82 Ų8262.4 Ų62.444%0.43935%0.348SS..THydrogen-bonded Turntrans62.313.8-176.8-49.7-39.2000114.8D344 V348 E349 S350D344-D346 PolarHBondContact O-N 3.06Å; D346-V348 VanDerWaalsContact C-N 3.25Å; D346-V348 PolarHBondContact O-N 3.46Å; D346-E349 WeakPolarHBondContact O-CB 3.47Å; D346-E349 PolarHBondContact O-N 3.03Å; D346-E349 VanDerWaalsContact O-N 3.08Å; D346-S350 PolarHBondContact O-N 3.37Å
347T76.2Confident75.7Confident74 Ų7469.2 Ų69.245%0.45437%0.373SS..Hα-helixtrans-58.4-38.8176.1-58.80000111.3D344 G345 E349 S350 I351D344-T347 WeakPolarHBondContact O-CB 3.45Å; D344-T347 PolarHBondContact O-N 3.33Å; D344-T347 PolarHBondContact O-OG1 3.48Å; D344-T347 PolarHBondContact OD2-N 3.28Å; G345-T347 PolarHBondContact O-N 2.87Å; G345-T347 VanDerWaalsContact O-N 3.11Å; T347-E349 VanDerWaalsContact C-N 3.28Å; T347-E349 PolarHBondContact O-N 3.02Å; T347-S350 WeakPolarHBondContact O-CB 3.48Å; T347-S350 PolarHBondContact O-N 3.02Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 3.27Å; T347-I351 PolarHBondContact O-N 2.95Å; T347-I351 VanDerWaalsContact O-N 3.09Å
348V78Confident75.2Confident25 Ų2571.7 Ų71.715%0.15240%0.399CS..Hα-helixtrans-63.1-39.1178.2173.70000110.3D344 D346 S350 I351 T352 M368 Y372D344-V348 HydrophobicContact CB-CG2 4.02Å; D344-V348 WeakPolarHBondContact OD2-CB 3.47Å; D344-V348 WeakPolarHBondContact OD2-CG2 3.42Å; D344-V348 PolarHBondContact OD2-N 3.2Å; D346-V348 VanDerWaalsContact C-N 3.25Å; D346-V348 PolarHBondContact O-N 3.46Å; V348-S350 VanDerWaalsContact C-N 3.33Å; V348-S350 PolarHBondContact O-N 3.49Å; V348-I351 WeakPolarHBondContact O-CG1 3.49Å; V348-I351 PolarHBondContact O-N 3.5Å; V348-T352 WeakPolarHBondContact O-CB 3.39Å; V348-T352 PolarHBondContact O-N 2.97Å; V348-T352 VanDerWaalsContact O-N 3.1Å; V348-T352 PolarHBondContact O-OG1 3.02Å; V348-M368 HydrophobicContact CB-CE 4.2Å; V348-M368 HydrophobicContact CG1-CE 3.86Å; V348-M368 HydrophobicContact CG1-CG 4.47Å; V348-M368 HydrophobicContact CG1-SD 3.92Å; V348-M368 HydrophobicContact CG2-CE 3.48Å; V348-M368 VanDerWaalsContact CG2-CE 3.48Å; V348-Y372 WeakPolarHBondContact CG2-OH 3.22Å
349E76.4Confident75.1Confident113 Ų11375.5 Ų75.553%0.52842%0.416SS..Hα-helixtrans-63.9-40.4174.1-60.7-172.7-178.700111.2D346 T347 I351 T352D346-E349 WeakPolarHBondContact O-CB 3.47Å; D346-E349 PolarHBondContact O-N 3.03Å; D346-E349 VanDerWaalsContact O-N 3.08Å; T347-E349 VanDerWaalsContact C-N 3.28Å; T347-E349 PolarHBondContact O-N 3.02Å; E349-I351 VanDerWaalsContact C-N 3.33Å; E349-I351 PolarHBondContact O-N 3.44Å; E349-T352 WeakPolarHBondContact O-CB 3.42Å; E349-T352 PolarHBondContact O-N 2.72Å; E349-T352 VanDerWaalsContact O-N 3.17Å
350S80.1Confident75.6Confident94 Ų9476.2 Ų76.266%0.65741%0.411SS*.Hα-helixtrans-64.4-32.7179.7810000114.2D346 T347 V348D346-S350 PolarHBondContact O-N 3.37Å; T347-S350 WeakPolarHBondContact O-CB 3.48Å; T347-S350 PolarHBondContact O-N 3.02Å; T347-S350 VanDerWaalsContact O-N 3.1Å; T347-S350 PolarHBondContact O-OG 3.27Å; V348-S350 VanDerWaalsContact C-N 3.33Å; V348-S350 PolarHBondContact O-N 3.49Å
351I82.3Confident75.9Confident123 Ų12374.9 Ų74.963%0.63140%0.403SS*.Hα-helixtrans-91.9-5.7177.567.2173.8000112.7T347 V348 E349 P353T347-I351 PolarHBondContact O-N 2.95Å; T347-I351 VanDerWaalsContact O-N 3.09Å; V348-I351 WeakPolarHBondContact O-CG1 3.49Å; V348-I351 PolarHBondContact O-N 3.5Å; E349-I351 VanDerWaalsContact C-N 3.33Å; E349-I351 PolarHBondContact O-N 3.44Å; I351-P353 VanDerWaalsContact O-CD 3.24Å; I351-P353 WeakPolarHBondContact O-CD 3.18Å
352T82.1Confident76.1Confident29 Ų2975.4 Ų75.418%0.17841%0.407CS..SBendtrans-72.9117.9-177.3-70.60000109.9V348 E349 V354 R360 N364V348-T352 WeakPolarHBondContact O-CB 3.39Å; V348-T352 PolarHBondContact O-N 2.97Å; V348-T352 VanDerWaalsContact O-N 3.1Å; V348-T352 PolarHBondContact O-OG1 3.02Å; E349-T352 WeakPolarHBondContact O-CB 3.42Å; E349-T352 PolarHBondContact O-N 2.72Å; E349-T352 VanDerWaalsContact O-N 3.17Å; T352-V354 PolarHBondContact O-N 3.46Å; T352-R360 HydrophobicContact CG2-CB 3.61Å; T352-R360 HydrophobicContact CG2-CG 4.19Å; T352-N364 PolarHBondContact OG1-ND2 3.12Å
353P82.3Confident76.4Confident60 Ų6072.9 Ų72.939%0.3940%0.396SS..  trans-57.2142.5178.9-25.935.2000112.2I351 H355 R360I351-P353 VanDerWaalsContact O-CD 3.24Å; I351-P353 WeakPolarHBondContact O-CD 3.18Å; P353-H355 PolarHBondContact O-N 2.95Å; P353-R360 VanDerWaalsContact O-CD 3.26Å; P353-R360 WeakPolarHBondContact O-CD 3.26Å
354V82.4Confident76.8Confident82 Ų8274.6 Ų74.650%0.49741%0.406SS..SBendtrans-69-19.6-176.5-58.90000113.9T352 R357T352-V354 PolarHBondContact O-N 3.46Å; V354-R357 VanDerWaalsContact O-CG 3.28Å; V354-R357 WeakPolarHBondContact O-CG 3.01Å
355H84.3Confident77Confident144 Ų14474.3 Ų74.367%0.66741%0.405SS*.THydrogen-bonded Turntrans-77.7136.6175.1-60-62.6000110.7P353 R357 R360P353-H355 PolarHBondContact O-N 2.95Å; H355-R357 VanDerWaalsContact C-N 3.3Å; H355-R360 WeakPolarHBondContact O-CD 2.91Å; H355-R360 PolarHBondContact O-NE 3.02Å; H355-R360 VanDerWaalsContact O-NE 3.07Å
356L81.3Confident77.2Confident118 Ų11873.4 Ų73.462%0.61840%0.395SS*.THydrogen-bonded Turntrans62.134.1-174.9-51.6172.1000112.8G358 F359 R360L356-G358 VanDerWaalsContact C-N 3.35Å; L356-G358 PolarHBondContact O-N 3.44Å; L356-F359 HydrophobicContact CB-CB 4.16Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 PolarHBondContact O-N 3.19Å; L356-R360 WeakPolarHBondContact O-CG 3.49Å; L356-R360 PolarHBondContact O-N 3.19Å
357R78.2Confident77.5Confident161 Ų16170.9 Ų70.961%0.60839%0.386SS*.Hα-helixtrans-45.8-52.5180-94.9171.2-170.6-176.85.4113V354 H355 F359 R360 T361V354-R357 VanDerWaalsContact O-CG 3.28Å; V354-R357 WeakPolarHBondContact O-CG 3.01Å; H355-R357 VanDerWaalsContact C-N 3.3Å; R357-F359 VanDerWaalsContact C-N 3.33Å; R357-F359 PolarHBondContact O-N 3.14Å; R357-R360 CarbonylContact O-C 3.53Å; R357-R360 PolarHBondContact O-N 3.33Å; R357-R360 VanDerWaalsContact O-N 3.13Å; R357-T361 WeakPolarHBondContact O-CB 3.36Å; R357-T361 PolarHBondContact O-N 3.42Å; R357-T361 PolarHBondContact O-OG1 3.42Å
358G73.9Confident77.6Confident53 Ų5368.1 Ų68.155%0.54637%0.368SS..Hα-helixtrans-57-45.1-179.900000113.2L356 T361 V362L356-G358 VanDerWaalsContact C-N 3.35Å; L356-G358 PolarHBondContact O-N 3.44Å; G358-T361 PolarHBondContact O-N 2.64Å; G358-V362 WeakPolarHBondContact O-CG2 3.29Å; G358-V362 PolarHBondContact O-N 2.97Å
359F74.7Confident77.9Confident84 Ų8467 Ų6737%0.36836%0.361SS..Hα-helixtrans-65.2-43175.6176.1-97.5000112.8L356 R357 T361 V362 L363 F700L356-F359 HydrophobicContact CB-CB 4.16Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 PolarHBondContact O-N 3.19Å; R357-F359 VanDerWaalsContact C-N 3.33Å; R357-F359 PolarHBondContact O-N 3.14Å; F359-T361 VanDerWaalsContact C-N 3.34Å; F359-V362 WeakPolarHBondContact O-CB 3.44Å; F359-V362 PolarHBondContact O-N 3.28Å; F359-L363 HydrophobicContact CD1-CD1 3.83Å; F359-L363 HydrophobicContact CD1-CG 4.48Å; F359-L363 HydrophobicContact CE1-CD1 3.25Å; F359-L363 HydrophobicContact CE1-CG 4.09Å; F359-L363 HydrophobicContact CZ-CD1 3.81Å; F359-L363 HydrophobicContact CZ-CG 4.32Å; F359-L363 PolarHBondContact O-N 3.12Å; F359-F700 AromaticContact CD2-CD1 3.99Å; F359-F700 HydrophobicContact CD2-CD1 3.99Å; F359-F700 HydrophobicContact CD2-CD2 4.4Å; F359-F700 HydrophobicContact CD2-CE1 4.16Å; F359-F700 HydrophobicContact CD2-CG 4.13Å; F359-F700 HydrophobicContact CD2-CZ 4.49Å; F359-F700 HydrophobicContact CE1-CZ 4.37Å; F359-F700 HydrophobicContact CE2-CB 4.46Å; F359-F700 AromaticContact CE2-CD1 3.44Å; F359-F700 HydrophobicContact CE2-CD1 3.44Å; F359-F700 VanDerWaalsContact CE2-CD1 3.44Å; F359-F700 AromaticContact CE2-CD2 3.39Å; F359-F700 HydrophobicContact CE2-CD2 3.39Å; F359-F700 AromaticContact CE2-CE1 3.34Å; F359-F700 HydrophobicContact CE2-CE1 3.34Å; F359-F700 AromaticContact CE2-CE2 3.33Å; F359-F700 HydrophobicContact CE2-CE2 3.33Å; F359-F700 AromaticContact CE2-CG 3.48Å; F359-F700 HydrophobicContact CE2-CG 3.48Å; F359-F700 VanDerWaalsContact CE2-CG 3.48Å; F359-F700 AromaticContact CE2-CZ 3.31Å; F359-F700 HydrophobicContact CE2-CZ 3.31Å; F359-F700 HydrophobicContact CZ-CD1 4.16Å; F359-F700 HydrophobicContact CZ-CD2 4.05Å; F359-F700 AromaticContact CZ-CE1 3.57Å; F359-F700 HydrophobicContact CZ-CE1 3.57Å; F359-F700 AromaticContact CZ-CE2 3.48Å; F359-F700 HydrophobicContact CZ-CE2 3.48Å; F359-F700 VanDerWaalsContact CZ-CE2 3.48Å; F359-F700 HydrophobicContact CZ-CG 4.39Å; F359-F700 AromaticContact CZ-CZ 3.21Å; F359-F700 HydrophobicContact CZ-CZ 3.21Å
360R80.4Confident78.3Confident85 Ų8564.9 Ų64.932%0.32135%0.352SS..Hα-helixtrans-67.7-34.7177.2-70.4-178.1178.6-83.42.3111.8T352 P353 H355 L356 R357 V362 L363 N364T352-R360 HydrophobicContact CG2-CB 3.61Å; T352-R360 HydrophobicContact CG2-CG 4.19Å; P353-R360 VanDerWaalsContact O-CD 3.26Å; P353-R360 WeakPolarHBondContact O-CD 3.26Å; H355-R360 WeakPolarHBondContact O-CD 2.91Å; H355-R360 PolarHBondContact O-NE 3.02Å; H355-R360 VanDerWaalsContact O-NE 3.07Å; L356-R360 WeakPolarHBondContact O-CG 3.49Å; L356-R360 PolarHBondContact O-N 3.19Å; R357-R360 CarbonylContact O-C 3.53Å; R357-R360 PolarHBondContact O-N 3.33Å; R357-R360 VanDerWaalsContact O-N 3.13Å; R360-V362 VanDerWaalsContact C-N 3.34Å; R360-L363 PolarHBondContact O-N 3.19Å; R360-N364 WeakPolarHBondContact O-CB 3.47Å; R360-N364 PolarHBondContact O-N 3.33Å; R360-N364 PolarHBondContact O-OD1 2.87Å
361T75.2Confident78.5Confident85 Ų8565.3 Ų65.352%0.52135%0.345SS..Hα-helixtrans-62-44.2171.8-60.60000110.1R357 G358 F359 N364 S365R357-T361 WeakPolarHBondContact O-CB 3.36Å; R357-T361 PolarHBondContact O-N 3.42Å; R357-T361 PolarHBondContact O-OG1 3.42Å; G358-T361 PolarHBondContact O-N 2.64Å; F359-T361 VanDerWaalsContact C-N 3.34Å; T361-N364 PolarHBondContact O-N 3.33Å; T361-S365 VanDerWaalsContact O-CB 3.25Å; T361-S365 WeakPolarHBondContact O-CB 3.47Å; T361-S365 PolarHBondContact O-N 3.47Å; T361-S365 PolarHBondContact O-OG 3.3Å
362V70.5Confident78.6Confident26 Ų2659.9 Ų59.916%0.15832%0.317CS..Hα-helixtrans-60.7-48.8174171.30000110.6M296 G358 F359 R360 N364 S365 S366 F700 F703M296-V362 HydrophobicContact CE-CB 4.05Å; M296-V362 HydrophobicContact CE-CG1 3.48Å; M296-V362 VanDerWaalsContact CE-CG1 3.48Å; M296-V362 WeakPolarHBondContact CE-O 3.43Å; G358-V362 WeakPolarHBondContact O-CG2 3.29Å; G358-V362 PolarHBondContact O-N 2.97Å; F359-V362 WeakPolarHBondContact O-CB 3.44Å; F359-V362 PolarHBondContact O-N 3.28Å; R360-V362 VanDerWaalsContact C-N 3.34Å; V362-N364 PolarHBondContact O-N 3.05Å; V362-S365 WeakPolarHBondContact CA-OG 3.23Å; V362-S365 PolarHBondContact O-N 3.19Å; V362-S365 PolarHBondContact O-OG 3.01Å; V362-S365 VanDerWaalsContact O-OG 3.04Å; V362-S366 PolarHBondContact O-N 3.33Å; V362-S366 VanDerWaalsContact O-N 3.08Å; V362-S366 PolarHBondContact O-OG 3.41Å; V362-S366 VanDerWaalsContact O-OG 3.05Å; V362-F700 HydrophobicContact CG1-CD1 4.34Å; V362-F703 HydrophobicContact CG1-CB 4.06Å
363L75Confident78.8Confident52 Ų5258.6 Ų58.627%0.27231%0.309SS..Hα-helixtrans-59.3-44.4175.5-79.9174.8000113.2F359 R360 S365 A367 M368 F700F359-L363 HydrophobicContact CD1-CD1 3.83Å; F359-L363 HydrophobicContact CD1-CG 4.48Å; F359-L363 HydrophobicContact CE1-CD1 3.25Å; F359-L363 HydrophobicContact CE1-CG 4.09Å; F359-L363 HydrophobicContact CZ-CD1 3.81Å; F359-L363 HydrophobicContact CZ-CG 4.32Å; F359-L363 PolarHBondContact O-N 3.12Å; R360-L363 PolarHBondContact O-N 3.19Å; L363-S365 VanDerWaalsContact C-N 3.26Å; L363-S365 PolarHBondContact O-N 2.94Å; L363-A367 HydrophobicContact CD2-CB 4.1Å; L363-A367 WeakPolarHBondContact O-CB 3.06Å; L363-A367 PolarHBondContact O-N 3.04Å; L363-M368 PolarHBondContact O-N 3.17Å; L363-F700 HydrophobicContact CD2-CE1 3.52Å; L363-F700 HydrophobicContact CD2-CZ 3.87Å; L363-F700 HydrophobicContact CG-CE1 3.84Å; L363-F700 HydrophobicContact CG-CZ 4.35Å
364N75.2Confident78.9Confident39 Ų3959.5 Ų59.521%0.20931%0.313CS..Hα-helixtrans-69.6-25.9-177.8-72.5-3000112.6T352 R360 T361 V362 M368T352-N364 PolarHBondContact OG1-ND2 3.12Å; R360-N364 WeakPolarHBondContact O-CB 3.47Å; R360-N364 PolarHBondContact O-N 3.33Å; R360-N364 PolarHBondContact O-OD1 2.87Å; T361-N364 PolarHBondContact O-N 3.33Å; V362-N364 PolarHBondContact O-N 3.05Å; N364-M368 VanDerWaalsContact CA-CG 3.47Å; N364-M368 HydrophobicContact CB-CG 4.25Å; N364-M368 VanDerWaalsContact O-CB 3.29Å; N364-M368 WeakPolarHBondContact O-CB 3.31Å; N364-M368 VanDerWaalsContact O-CG 3.29Å; N364-M368 WeakPolarHBondContact O-CG 3.14Å
365S71.3Confident78.9Confident10 Ų1056.9 Ų56.97%0.0730%0.299CS..Hα-helixtrans-91-21.5-179.552.60000113.8G293 M296 T361 V362 L363G293-S365 CarbonylContact C-O 3.53Å; G293-S365 VanDerWaalsContact CA-O 3.24Å; G293-S365 WeakPolarHBondContact CA-O 3.41Å; M296-S365 WeakPolarHBondContact CE-OG 3.49Å; M296-S365 WeakPolarHBondContact CG-OG 2.92Å; T361-S365 VanDerWaalsContact O-CB 3.25Å; T361-S365 WeakPolarHBondContact O-CB 3.47Å; T361-S365 PolarHBondContact O-N 3.47Å; T361-S365 PolarHBondContact O-OG 3.3Å; V362-S365 WeakPolarHBondContact CA-OG 3.23Å; V362-S365 PolarHBondContact O-N 3.19Å; V362-S365 PolarHBondContact O-OG 3.01Å; V362-S365 VanDerWaalsContact O-OG 3.04Å; L363-S365 VanDerWaalsContact C-N 3.26Å; L363-S365 PolarHBondContact O-N 2.94Å
366S70.8Confident78.6Confident3 Ų353 Ų532%0.02129%0.287CS..Hα-helixtrans-113.1-61.6174.660.50000114.4I292 M296 V362 M368 D369I292-S366 WeakPolarHBondContact CB-O 3.31Å; M296-S366 WeakPolarHBondContact CE-OG 3.42Å; V362-S366 PolarHBondContact O-N 3.33Å; V362-S366 VanDerWaalsContact O-N 3.08Å; V362-S366 PolarHBondContact O-OG 3.41Å; V362-S366 VanDerWaalsContact O-OG 3.05Å; S366-M368 PolarHBondContact O-N 2.82Å; S366-D369 PolarHBondContact O-N 2.77Å
367A76.2Confident78.3Confident28 Ų2851.9 Ų51.923%0.23128%0.281CS..THydrogen-bonded Turntrans-67.4-24.6-170.800000113.4L363 D369 I370 M371L363-A367 HydrophobicContact CD2-CB 4.1Å; L363-A367 WeakPolarHBondContact O-CB 3.06Å; L363-A367 PolarHBondContact O-N 3.04Å; A367-D369 PolarHBondContact O-N 3.49Å; A367-I370 WeakPolarHBondContact O-CB 3.37Å; A367-I370 PolarHBondContact O-N 3.23Å; A367-I370 VanDerWaalsContact O-N 3.15Å; A367-M371 PolarHBondContact O-N 2.88Å
368M79.9Confident78.5Confident16 Ų1647.3 Ų47.38%0.07926%0.264CS..Hα-helixtrans-60.3-30.6176.6-75.9-68.7-54.400113.7V348 L363 N364 S366 I370 M371 Y372V348-M368 HydrophobicContact CB-CE 4.2Å; V348-M368 HydrophobicContact CG1-CE 3.86Å; V348-M368 HydrophobicContact CG1-CG 4.47Å; V348-M368 HydrophobicContact CG1-SD 3.92Å; V348-M368 HydrophobicContact CG2-CE 3.48Å; V348-M368 VanDerWaalsContact CG2-CE 3.48Å; L363-M368 PolarHBondContact O-N 3.17Å; N364-M368 VanDerWaalsContact CA-CG 3.47Å; N364-M368 HydrophobicContact CB-CG 4.25Å; N364-M368 VanDerWaalsContact O-CB 3.29Å; N364-M368 WeakPolarHBondContact O-CB 3.31Å; N364-M368 VanDerWaalsContact O-CG 3.29Å; N364-M368 WeakPolarHBondContact O-CG 3.14Å; S366-M368 PolarHBondContact O-N 2.82Å; M368-I370 PolarHBondContact O-N 3.19Å; M368-M371 HydrophobicContact CG-CE 4.03Å; M368-M371 PolarHBondContact O-N 3.27Å; M368-M371 HydrophobicContact SD-CE 3.23Å; M368-M371 WeakPolarHBondContact SD-CE 3.41Å; M368-M371 HydrophobicContact SD-SD 4.12Å; M368-Y372 HydrophobicContact CB-CD2 4.08Å; M368-Y372 HydrophobicContact CB-CE2 3.79Å; M368-Y372 HydrophobicContact CE-CD1 4.48Å; M368-Y372 HydrophobicContact CE-CD2 4.29Å; M368-Y372 HydrophobicContact CE-CE1 3.81Å; M368-Y372 HydrophobicContact CE-CE2 3.59Å; M368-Y372 VanDerWaalsContact CE-OH 3.31Å; M368-Y372 WeakPolarHBondContact CE-OH 2.94Å; M368-Y372 WeakPolarHBondContact O-CD2 3.33Å; M368-Y372 PolarHBondContact O-N 3.33Å
369D83.5Confident79.1Confident2 Ų245.8 Ų45.81%0.01124%0.241CC..Hα-helixtrans-60.5-34.6177.9-66.8-26.6000111.2I292 G293 W337 R338 S366 A367 Y373 L418I292-D369 WeakPolarHBondContact CA-OD2 3.45Å; I292-D369 HydrophobicContact CB-CB 4.13Å; I292-D369 HydrophobicContact CG2-CB 3.85Å; G293-D369 PolarHBondContact N-OD2 3.35Å; W337-D369 HydrophobicContact CH2-CB 4.25Å; R338-D369 WeakPolarHBondContact CD-OD1 3.48Å; R338-D369 IonicContact NE-OD1 2.72Å; R338-D369 PolarHBondContact NE-OD1 2.91Å; R338-D369 VanDerWaalsContact NE-OD1 3.11Å; S366-D369 PolarHBondContact O-N 2.77Å; A367-D369 PolarHBondContact O-N 3.49Å; D369-Y373 VanDerWaalsContact O-CB 3.3Å; D369-Y373 WeakPolarHBondContact O-CB 3.39Å; D369-Y373 PolarHBondContact O-N 3.22Å; D369-L418 HydrophobicContact CB-CD2 4.2Å
370I84.5Confident79.4Confident68 Ų6843.3 Ų43.335%0.34924%0.237SC..Hα-helixtrans-66.8-48.4173.2-54.2178.7000110I292 A367 M368 Y372 Y373 T374 L418I292-I370 HydrophobicContact CD1-CD1 4.33Å; I292-I370 HydrophobicContact CG2-CD1 4.48Å; I292-I370 HydrophobicContact CG2-CG1 3.86Å; A367-I370 WeakPolarHBondContact O-CB 3.37Å; A367-I370 PolarHBondContact O-N 3.23Å; A367-I370 VanDerWaalsContact O-N 3.15Å; M368-I370 PolarHBondContact O-N 3.19Å; I370-Y372 VanDerWaalsContact C-N 3.33Å; I370-Y372 PolarHBondContact O-N 3.26Å; I370-Y373 PolarHBondContact O-N 2.99Å; I370-T374 HydrophobicContact CG2-CG2 4.33Å; I370-T374 WeakPolarHBondContact O-CG2 3.2Å; I370-T374 PolarHBondContact O-N 3.2Å; I370-T374 PolarHBondContact O-OG1 3.36Å; I370-L418 HydrophobicContact CG1-CD2 4.38Å
371M84.3Confident79.5Confident103 Ų10342.2 Ų42.251%0.50724%0.235SC..Hα-helixtrans-61-43.5-179.5-71.6-171.3-9400111.7A367 M368 T374 S375A367-M371 PolarHBondContact O-N 2.88Å; M368-M371 HydrophobicContact CG-CE 4.03Å; M368-M371 PolarHBondContact O-N 3.27Å; M368-M371 HydrophobicContact SD-CE 3.23Å; M368-M371 WeakPolarHBondContact SD-CE 3.41Å; M368-M371 HydrophobicContact SD-SD 4.12Å; M371-T374 WeakPolarHBondContact CA-OG1 3.24Å; M371-T374 PolarHBondContact O-N 2.77Å; M371-T374 PolarHBondContact O-OG1 2.81Å; M371-S375 PolarHBondContact O-N 3.26Å
372Y84.8Confident80.1Confident10 Ų1038.2 Ų38.24%0.03921%0.211CC..Hα-helixtrans-60.5-48.5173.5-69.8-51.8000111.5L343 D344 V348 M368 I370 T374 S375 Y378L343-Y372 HydrophobicContact CB-CD1 4.12Å; L343-Y372 HydrophobicContact CB-CE1 3.92Å; L343-Y372 HydrophobicContact CB-CE2 4.46Å; L343-Y372 HydrophobicContact CD1-CD1 3.85Å; L343-Y372 HydrophobicContact CD1-CD2 3.47Å; L343-Y372 VanDerWaalsContact CD1-CD2 3.47Å; L343-Y372 HydrophobicContact CD1-CE1 4.32Å; L343-Y372 HydrophobicContact CD1-CE2 3.96Å; L343-Y372 HydrophobicContact CD1-CG 3.41Å; L343-Y372 VanDerWaalsContact CD1-CG 3.41Å; D344-Y372 HydrophobicContact CB-CE1 4.22Å; D344-Y372 WeakPolarHBondContact CB-OH 3.38Å; D344-Y372 PolarHBondContact OD1-OH 3.02Å; D344-Y372 PolarHBondContact OD2-OH 2.84Å; V348-Y372 WeakPolarHBondContact CG2-OH 3.22Å; M368-Y372 HydrophobicContact CB-CD2 4.08Å; M368-Y372 HydrophobicContact CB-CE2 3.79Å; M368-Y372 HydrophobicContact CE-CD1 4.48Å; M368-Y372 HydrophobicContact CE-CD2 4.29Å; M368-Y372 HydrophobicContact CE-CE1 3.81Å; M368-Y372 HydrophobicContact CE-CE2 3.59Å; M368-Y372 VanDerWaalsContact CE-OH 3.31Å; M368-Y372 WeakPolarHBondContact CE-OH 2.94Å; M368-Y372 WeakPolarHBondContact O-CD2 3.33Å; M368-Y372 PolarHBondContact O-N 3.33Å; I370-Y372 VanDerWaalsContact C-N 3.33Å; I370-Y372 PolarHBondContact O-N 3.26Å; Y372-T374 VanDerWaalsContact C-N 3.27Å; Y372-T374 PolarHBondContact O-N 3.05Å; Y372-S375 WeakPolarHBondContact O-CB 3.31Å; Y372-S375 PolarHBondContact O-N 3.11Å; Y372-S375 VanDerWaalsContact O-N 3.07Å; Y372-Y378 HydrophobicContact CD1-CD1 4.37Å; Y372-Y378 AromaticContact CD1-CD2 3.51Å; Y372-Y378 HydrophobicContact CD1-CD2 3.51Å; Y372-Y378 AromaticContact CD1-CE2 3.89Å; Y372-Y378 HydrophobicContact CD1-CE2 3.89Å; Y372-Y378 AromaticContact CD1-CG 3.76Å; Y372-Y378 HydrophobicContact CD1-CG 3.76Å; Y372-Y378 HydrophobicContact CE1-CD2 4.15Å; Y372-Y378 HydrophobicContact CE1-CE2 4.06Å; Y372-Y378 HydrophobicContact CE1-CG 4.49Å; Y372-Y378 WeakPolarHBondContact O-CB 3.44Å
373Y86.3Confident81Confident2 Ų237.2 Ų37.21%0.00820%0.204CC..Hα-helixtrans-62.9-31.8177.4173.2-100.2000113.3D369 I370 S375 R379 L418 V421 L422 D425 Y581 R585D369-Y373 VanDerWaalsContact O-CB 3.3Å; D369-Y373 WeakPolarHBondContact O-CB 3.39Å; D369-Y373 PolarHBondContact O-N 3.22Å; I370-Y373 PolarHBondContact O-N 2.99Å; Y373-S375 VanDerWaalsContact C-N 3.27Å; Y373-S375 PolarHBondContact O-N 3.07Å; Y373-R379 HydrophobicContact CD2-CG 3.9Å; Y373-R379 HydrophobicContact CE2-CG 3.81Å; Y373-R379 VanDerWaalsContact O-CZ 3.29Å; Y373-R379 PolarHBondContact O-NE 3.47Å; Y373-R379 PolarHBondContact O-NH2 2.67Å; Y373-L418 HydrophobicContact CD1-CD1 3.8Å; Y373-L418 HydrophobicContact CE1-CD1 4.32Å; Y373-L418 HydrophobicContact CG-CD1 4.08Å; Y373-V421 HydrophobicContact CE1-CG1 3.97Å; Y373-V421 HydrophobicContact CE2-CG1 4.48Å; Y373-V421 VanDerWaalsContact OH-CG1 3.22Å; Y373-V421 WeakPolarHBondContact OH-CG1 3.43Å; Y373-L422 HydrophobicContact CD2-CD2 3.26Å; Y373-L422 HydrophobicContact CE2-CD2 3.64Å; Y373-L422 HydrophobicContact CG-CD2 4.12Å; Y373-D425 WeakPolarHBondContact CE2-OD2 3.31Å; Y373-D425 PolarHBondContact OH-OD2 2.96Å; Y373-Y581 HydrophobicContact CD1-CE1 4.33Å; Y373-Y581 HydrophobicContact CE1-CD1 4.24Å; Y373-Y581 AromaticContact CE1-CE1 3.55Å; Y373-Y581 HydrophobicContact CE1-CE1 3.55Å; Y373-Y581 AromaticContact CE1-CZ 4Å; Y373-R585 PolarHBondContact OH-NH2 2.93Å
374T84.8Confident81.5Confident78 Ų7837.7 Ų37.748%0.47921%0.211SC..Hα-helixtrans-70.5-23.3175.457.80000113.2I370 M371 Y372 P376 R379I370-T374 HydrophobicContact CG2-CG2 4.33Å; I370-T374 WeakPolarHBondContact O-CG2 3.2Å; I370-T374 PolarHBondContact O-N 3.2Å; I370-T374 PolarHBondContact O-OG1 3.36Å; M371-T374 WeakPolarHBondContact CA-OG1 3.24Å; M371-T374 PolarHBondContact O-N 2.77Å; M371-T374 PolarHBondContact O-OG1 2.81Å; Y372-T374 VanDerWaalsContact C-N 3.27Å; Y372-T374 PolarHBondContact O-N 3.05Å; T374-P376 WeakPolarHBondContact O-CD 3.33Å; T374-R379 PolarHBondContact O-NH2 3.48Å; T374-R379 VanDerWaalsContact O-NH2 3.1Å
375S82.8Confident82Confident27 Ų2736.8 Ų36.819%0.18921%0.208CC..SBendtrans-77.7122.8173.5173.80000110.6M371 Y372 Y373 L377 Y378 R379M371-S375 PolarHBondContact O-N 3.26Å; Y372-S375 WeakPolarHBondContact O-CB 3.31Å; Y372-S375 PolarHBondContact O-N 3.11Å; Y372-S375 VanDerWaalsContact O-N 3.07Å; Y373-S375 VanDerWaalsContact C-N 3.27Å; Y373-S375 PolarHBondContact O-N 3.07Å; S375-L377 PolarHBondContact O-N 3.47Å; S375-L377 PolarHBondContact OG-N 3.4Å; S375-Y378 PolarHBondContact O-N 2.89Å; S375-Y378 WeakPolarHBondContact OG-CD2 3.3Å; S375-R379 WeakPolarHBondContact O-CB 3.48Å; S375-R379 PolarHBondContact O-N 2.83Å
376P77.9Confident83Confident64 Ų6436.3 Ų36.342%0.41621%0.205SC..Hα-helixtrans-54.8-36.5175.3-26.535.3000113.2T374 A380T374-P376 WeakPolarHBondContact O-CD 3.33Å; P376-A380 PolarHBondContact O-N 3.47Å
377L75.1Confident84.1Confident94 Ų9437.2 Ų37.249%0.49221%0.209SC..Hα-helixtrans-62-55.1179.8-60.6176.1000111.7S375 L443S375-L377 PolarHBondContact O-N 3.47Å; S375-L377 PolarHBondContact OG-N 3.4Å; L377-L443 HydrophobicContact CD2-CD1 3.23Å
378Y82.3Confident84.8Confident64 Ų6439.3 Ų39.325%0.25122%0.221SC..Hα-helixtrans-77.4-26.7-177.6-61.2-57.7000112L343 Y372 S375 E381 I382L343-Y378 HydrophobicContact CB-CD1 3.95Å; L343-Y378 HydrophobicContact CB-CE1 4.17Å; L343-Y378 HydrophobicContact CD2-CD1 4.1Å; L343-Y378 WeakPolarHBondContact O-CE1 3.33Å; Y372-Y378 HydrophobicContact CD1-CD1 4.37Å; Y372-Y378 AromaticContact CD1-CD2 3.51Å; Y372-Y378 HydrophobicContact CD1-CD2 3.51Å; Y372-Y378 AromaticContact CD1-CE2 3.89Å; Y372-Y378 HydrophobicContact CD1-CE2 3.89Å; Y372-Y378 AromaticContact CD1-CG 3.76Å; Y372-Y378 HydrophobicContact CD1-CG 3.76Å; Y372-Y378 HydrophobicContact CE1-CD2 4.15Å; Y372-Y378 HydrophobicContact CE1-CE2 4.06Å; Y372-Y378 HydrophobicContact CE1-CG 4.49Å; Y372-Y378 WeakPolarHBondContact O-CB 3.44Å; S375-Y378 PolarHBondContact O-N 2.89Å; S375-Y378 WeakPolarHBondContact OG-CD2 3.3Å; Y378-E381 PolarHBondContact O-N 2.64Å; Y378-I382 WeakPolarHBondContact O-CB 3.47Å; Y378-I382 WeakPolarHBondContact O-CG1 3.18Å; Y378-I382 PolarHBondContact O-N 3.45Å
379R85.3Confident85.4Confident21 Ų2139.9 Ų39.98%0.07922%0.224CC..Hα-helixtrans-57.9-49.2172.6-176.2-175.7-55.91406111.4Y373 T374 S375 E381 I382 I383Y373-R379 HydrophobicContact CD2-CG 3.9Å; Y373-R379 HydrophobicContact CE2-CG 3.81Å; Y373-R379 VanDerWaalsContact O-CZ 3.29Å; Y373-R379 PolarHBondContact O-NE 3.47Å; Y373-R379 PolarHBondContact O-NH2 2.67Å; T374-R379 PolarHBondContact O-NH2 3.48Å; T374-R379 VanDerWaalsContact O-NH2 3.1Å; S375-R379 WeakPolarHBondContact O-CB 3.48Å; S375-R379 PolarHBondContact O-N 2.83Å; R379-E381 VanDerWaalsContact C-N 3.29Å; R379-E381 PolarHBondContact O-N 2.84Å; R379-I382 PolarHBondContact O-N 2.98Å; R379-I383 HydrophobicContact CG-CG1 4.29Å; R379-I383 VanDerWaalsContact O-CG1 3.29Å; R379-I383 WeakPolarHBondContact O-CG1 3.43Å; R379-I383 PolarHBondContact O-N 2.85Å
380A81.6Confident85.9Confident33 Ų3339.8 Ų39.827%0.27322%0.223SC..Hα-helixtrans-58.2-44.5178.600000111.1P376 I383 C384P376-A380 PolarHBondContact O-N 3.47Å; A380-I383 PolarHBondContact O-N 2.73Å; A380-C384 WeakPolarHBondContact O-CB 3.46Å; A380-C384 PolarHBondContact O-N 2.9Å; A380-C384 PolarHBondContact O-SG 3.34Å
381E83Confident86.5Confident62 Ų6237 Ų3729%0.2921%0.209SC..Hα-helixtrans-63-43.6177.1-165.2179.115800112.6L341 L343 Y378 R379 C384 S385L341-E381 HydrophobicContact CD2-CG 3.82Å; L343-E381 HydrophobicContact CD2-CB 4.25Å; L343-E381 HydrophobicContact CD2-CG 4.06Å; Y378-E381 PolarHBondContact O-N 2.64Å; R379-E381 VanDerWaalsContact C-N 3.29Å; R379-E381 PolarHBondContact O-N 2.84Å; E381-C384 PolarHBondContact O-N 2.79Å; E381-S385 WeakPolarHBondContact O-CB 3.5Å; E381-S385 PolarHBondContact O-N 3.43Å
382I87.8Confident87Confident0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-61.3-47.6176.5-71.6166.4000111.2W337 L341 L343 Y378 R379 S385 L386 L422W337-I382 HydrophobicContact CE3-CG2 3.68Å; W337-I382 HydrophobicContact CH2-CG2 4.35Å; W337-I382 HydrophobicContact CZ3-CB 4.38Å; W337-I382 HydrophobicContact CZ3-CD1 4.19Å; W337-I382 HydrophobicContact CZ3-CG1 3.95Å; W337-I382 HydrophobicContact CZ3-CG2 3.58Å; L341-I382 HydrophobicContact CD1-CB 4.44Å; L341-I382 HydrophobicContact CD1-CG1 3.91Å; L343-I382 HydrophobicContact CD1-CD1 4.09Å; L343-I382 HydrophobicContact CD1-CG1 4.13Å; L343-I382 HydrophobicContact CD2-CG1 4.29Å; Y378-I382 WeakPolarHBondContact O-CB 3.47Å; Y378-I382 WeakPolarHBondContact O-CG1 3.18Å; Y378-I382 PolarHBondContact O-N 3.45Å; R379-I382 PolarHBondContact O-N 2.98Å; I382-S385 PolarHBondContact O-N 2.9Å; I382-L386 WeakPolarHBondContact O-CB 3.38Å; I382-L386 PolarHBondContact O-N 3.24Å; I382-L422 HydrophobicContact CG2-CD1 3.95Å; I382-L422 HydrophobicContact CG2-CD2 3.72Å; I382-L422 HydrophobicContact CG2-CG 4.46Å
383I88.3Confident87.5Confident5 Ų534.4 Ų34.43%0.02619%0.193CC..Hα-helixtrans-64.6-42.9-179.8-66.4-65.5000110.5R379 A380 L386 K387 L422 D425 L426R379-I383 HydrophobicContact CG-CG1 4.29Å; R379-I383 VanDerWaalsContact O-CG1 3.29Å; R379-I383 WeakPolarHBondContact O-CG1 3.43Å; R379-I383 PolarHBondContact O-N 2.85Å; A380-I383 PolarHBondContact O-N 2.73Å; I383-L386 PolarHBondContact O-N 2.94Å; I383-K387 VanDerWaalsContact O-CB 3.24Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 PolarHBondContact O-N 3.44Å; I383-L422 HydrophobicContact CD1-CB 4.38Å; I383-L422 HydrophobicContact CD1-CD2 4.21Å; I383-L422 WeakPolarHBondContact CD1-O 3.37Å; I383-D425 HydrophobicContact CD1-CB 3.99Å; I383-L426 HydrophobicContact CD1-CB 4.45Å; I383-L426 HydrophobicContact CG2-CB 4.37Å; I383-L426 HydrophobicContact CG2-CD1 3.88Å
384C86.1Confident88Confident62 Ų6234.3 Ų34.342%0.41919%0.193SC..Hα-helixtrans-62.5-42.5175.5-74.80000112.6A380 E381 K387 S388A380-C384 WeakPolarHBondContact O-CB 3.46Å; A380-C384 PolarHBondContact O-N 2.9Å; A380-C384 PolarHBondContact O-SG 3.34Å; E381-C384 PolarHBondContact O-N 2.79Å; C384-K387 PolarHBondContact O-N 3.48Å; C384-S388 WeakPolarHBondContact O-CB 3.38Å; C384-S388 PolarHBondContact O-N 2.91Å; C384-S388 PolarHBondContact O-OG 3.35Å
385S86.4Confident88.6Confident21 Ų2133 Ų3315%0.14718%0.183CC..Hα-helixtrans-62.4-49.7175.5179.20000111.7W337 E381 I382 K387 S388 E389W337-S385 PolarHBondContact O-OG 3.26Å; E381-S385 WeakPolarHBondContact O-CB 3.5Å; E381-S385 PolarHBondContact O-N 3.43Å; I382-S385 PolarHBondContact O-N 2.9Å; S385-K387 VanDerWaalsContact C-N 3.29Å; S385-K387 PolarHBondContact O-N 3.42Å; S385-S388 PolarHBondContact O-N 3.34Å; S385-E389 WeakPolarHBondContact O-CB 3.49Å; S385-E389 PolarHBondContact O-N 3.48Å
386L92.3Very high89.1Confident0 Ų033.9 Ų33.90%019%0.185CC..Hα-helixtrans-57-44.5176.8176.461000111.4I289 V335 W337 I382 I383 E389 L390 L422 V423 L426I289-L386 HydrophobicContact CD1-CD1 4.05Å; I289-L386 HydrophobicContact CG1-CD1 4.43Å; I289-L386 HydrophobicContact CG2-CD1 4.49Å; V335-L386 HydrophobicContact CG1-CD1 3.69Å; W337-L386 HydrophobicContact CB-CB 4.01Å; W337-L386 HydrophobicContact CB-CD1 3.81Å; W337-L386 HydrophobicContact CB-CG 4.5Å; W337-L386 HydrophobicContact CG-CD1 4.28Å; I382-L386 WeakPolarHBondContact O-CB 3.38Å; I382-L386 PolarHBondContact O-N 3.24Å; I383-L386 PolarHBondContact O-N 2.94Å; L386-E389 PolarHBondContact O-N 3.32Å; L386-L390 HydrophobicContact CD1-CD1 4.02Å; L386-L390 HydrophobicContact CD1-CG 4.22Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 WeakPolarHBondContact O-CB 3.06Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 3.04Å; L386-L422 HydrophobicContact CD2-CB 3.86Å; L386-V423 HydrophobicContact CD2-CG2 4.38Å; L386-L426 HydrophobicContact CD2-CD2 3.99Å; L386-L426 HydrophobicContact CG-CD2 3.95Å
387K92.8Very high90Very high22 Ų2230.8 Ų30.810%0.09617%0.165CC..Hα-helixtrans-62.2-47177.8-171.1175.6-170.9-167.30112.6I383 C384 S385 E389 L390 N391 L426 H557 N560 L562I383-K387 VanDerWaalsContact O-CB 3.24Å; I383-K387 WeakPolarHBondContact O-CB 3.37Å; I383-K387 PolarHBondContact O-N 3.44Å; C384-K387 PolarHBondContact O-N 3.48Å; S385-K387 VanDerWaalsContact C-N 3.29Å; S385-K387 PolarHBondContact O-N 3.42Å; K387-E389 VanDerWaalsContact C-N 3.33Å; K387-L390 PolarHBondContact O-N 3.5Å; K387-N391 WeakPolarHBondContact O-CB 3.2Å; K387-N391 PolarHBondContact O-N 3.36Å; K387-L426 HydrophobicContact CB-CD1 3.66Å; K387-L426 HydrophobicContact CB-CD2 4.39Å; K387-L426 HydrophobicContact CD-CD1 3.79Å; K387-L426 HydrophobicContact CG-CD1 3.81Å; K387-H557 PolarHBondContact NZ-O 2.95Å; K387-N560 WeakPolarHBondContact CE-O 3.05Å; K387-N560 PolarHBondContact NZ-O 3.49Å; K387-L562 HydrophobicContact CG-CD2 4.23Å
388S90.9Very high91Very high71 Ų7130.8 Ų30.850%0.49716%0.158SC..Hα-helixtrans-63-41.2177.8-73.20000111.7C384 S385 N391 R392C384-S388 WeakPolarHBondContact O-CB 3.38Å; C384-S388 PolarHBondContact O-N 2.91Å; C384-S388 PolarHBondContact O-OG 3.35Å; S385-S388 PolarHBondContact O-N 3.34Å; S388-N391 PolarHBondContact O-N 2.89Å; S388-R392 VanDerWaalsContact O-CB 3.31Å; S388-R392 WeakPolarHBondContact O-CB 3.43Å; S388-R392 PolarHBondContact O-N 2.89Å
389E91.9Very high91.6Very high28 Ų2835.9 Ų35.913%0.13118%0.177CC..Hα-helixtrans-68.6-42.6179.2-17759-171.800112.4V335 S385 L386 K387 N391 R392 L393V335-E389 HydrophobicContact CG1-CG 4.01Å; S385-E389 WeakPolarHBondContact O-CB 3.49Å; S385-E389 PolarHBondContact O-N 3.48Å; L386-E389 PolarHBondContact O-N 3.32Å; K387-E389 VanDerWaalsContact C-N 3.33Å; E389-N391 PolarHBondContact O-N 2.97Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-CZ 3.86Å; E389-R392 IonicContact OE1-NE 3.99Å; E389-R392 IonicContact OE1-NH2 3.66Å; E389-R392 PolarHBondContact OE1-NH2 3.47Å; E389-R392 IonicContact OE2-CZ 3Å; E389-R392 IonicContact OE2-NE 3.57Å; E389-R392 PolarHBondContact OE2-NE 2.92Å; E389-R392 IonicContact OE2-NH2 3.49Å; E389-L393 HydrophobicContact CG-CD1 4.18Å; E389-L393 WeakPolarHBondContact O-CB 3.22Å; E389-L393 WeakPolarHBondContact O-CG 3.41Å; E389-L393 PolarHBondContact O-N 3.16Å
390L95.7Very high91.9Very high0 Ų037.9 Ų37.90%019%0.189CC..Hα-helixtrans-59.1-46.3173.2-78.6170.1000112F287 I289 V335 L386 K387 L393 Y394 L426 L562 F564F287-L390 HydrophobicContact CB-CD2 3.92Å; F287-L390 HydrophobicContact CD1-CD2 3.92Å; F287-L390 HydrophobicContact CD2-CD2 3.84Å; F287-L390 HydrophobicContact CE1-CD2 4.42Å; F287-L390 HydrophobicContact CE2-CD2 4.33Å; F287-L390 HydrophobicContact CG-CD2 3.61Å; I289-L390 HydrophobicContact CD1-CD1 4.46Å; I289-L390 HydrophobicContact CD1-CD2 4.36Å; V335-L390 HydrophobicContact CG1-CD2 4.24Å; V335-L390 HydrophobicContact CG1-CG 4.32Å; V335-L390 HydrophobicContact CG2-CD2 3.8Å; L386-L390 HydrophobicContact CD1-CD1 4.02Å; L386-L390 HydrophobicContact CD1-CG 4.22Å; L386-L390 HydrophobicContact CG-CD1 4.01Å; L386-L390 WeakPolarHBondContact O-CB 3.06Å; L386-L390 VanDerWaalsContact O-CG 3.31Å; L386-L390 WeakPolarHBondContact O-CG 3.43Å; L386-L390 PolarHBondContact O-N 3.04Å; K387-L390 PolarHBondContact O-N 3.5Å; L390-L393 PolarHBondContact O-N 2.91Å; L390-Y394 WeakPolarHBondContact O-CB 3.18Å; L390-Y394 PolarHBondContact O-N 2.6Å; L390-L426 HydrophobicContact CD1-CD2 3.66Å; L390-L562 HydrophobicContact CB-CD2 4.07Å; L390-L562 HydrophobicContact CD1-CD2 4.12Å; L390-F564 HydrophobicContact CB-CE1 4.06Å; L390-F564 HydrophobicContact CB-CZ 4.23Å; L390-F564 HydrophobicContact CD1-CZ 4.38Å; L390-F564 HydrophobicContact CD2-CE1 4.46Å; L390-F564 HydrophobicContact CD2-CZ 4.13Å; L390-F564 HydrophobicContact CG-CZ 4.49Å
391N95.8Very high92.5Very high9 Ų937.8 Ų37.85%0.04818%0.184CC..Hα-helixtrans-66.2-40.2177.6-79.7-5.2000111.8K387 S388 E389 Y394 D395 N560 P561 L562 L563K387-N391 WeakPolarHBondContact O-CB 3.2Å; K387-N391 PolarHBondContact O-N 3.36Å; S388-N391 PolarHBondContact O-N 2.89Å; E389-N391 PolarHBondContact O-N 2.97Å; N391-Y394 PolarHBondContact O-N 3.16Å; N391-D395 WeakPolarHBondContact O-CB 3.46Å; N391-D395 PolarHBondContact O-N 3.23Å; N391-N560 PolarHBondContact ND2-OD1 2.99Å; N391-P561 PolarHBondContact ND2-O 2.92Å; N391-L562 WeakPolarHBondContact OD1-CA 3.21Å; N391-L563 HydrophobicContact CB-CD1 4.02Å; N391-L563 HydrophobicContact CB-CG 4.17Å; N391-L563 PolarHBondContact OD1-N 3Å
392R94.8Very high93.1Very high58 Ų5839.5 Ų39.522%0.21920%0.2CC..Hα-helixtrans-58.8-50.1175.3-173.7-168.671.679-3.1111.2Y91 S388 E389 D395 M396 Y478Y91-R392 PolarHBondContact O-NH1 3.06Å; Y91-R392 PolarHBondContact O-NH2 3.31Å; S388-R392 VanDerWaalsContact O-CB 3.31Å; S388-R392 WeakPolarHBondContact O-CB 3.43Å; S388-R392 PolarHBondContact O-N 2.89Å; E389-R392 PolarHBondContact O-N 3.45Å; E389-R392 IonicContact OE1-CZ 3.86Å; E389-R392 IonicContact OE1-NE 3.99Å; E389-R392 IonicContact OE1-NH2 3.66Å; E389-R392 PolarHBondContact OE1-NH2 3.47Å; E389-R392 IonicContact OE2-CZ 3Å; E389-R392 IonicContact OE2-NE 3.57Å; E389-R392 PolarHBondContact OE2-NE 2.92Å; E389-R392 IonicContact OE2-NH2 3.49Å; R392-D395 PolarHBondContact O-N 3.46Å; R392-M396 HydrophobicContact CG-SD 4.33Å; R392-M396 PolarHBondContact NH1-SD 3.27Å; R392-M396 WeakPolarHBondContact O-CG 2.78Å; R392-M396 PolarHBondContact O-N 3.26Å; R392-Y478 PolarHBondContact NH1-OH 3.01Å
393L95.9Very high93.4Very high1 Ų144.3 Ų44.31%0.00523%0.226CC..Hα-helixtrans-64.1-43.6-179.9-70.7170.3000111.8Y91 F287 V335 E389 L390 M396 F397Y91-L393 WeakPolarHBondContact O-CD2 3.35Å; F287-L393 HydrophobicContact CD1-CD1 4.44Å; F287-L393 HydrophobicContact CE1-CB 3.76Å; F287-L393 HydrophobicContact CE1-CD1 4.28Å; F287-L393 HydrophobicContact CZ-CB 4.42Å; V335-L393 HydrophobicContact CB-CD1 4.49Å; V335-L393 HydrophobicContact CG2-CD1 3.96Å; E389-L393 HydrophobicContact CG-CD1 4.18Å; E389-L393 WeakPolarHBondContact O-CB 3.22Å; E389-L393 WeakPolarHBondContact O-CG 3.41Å; E389-L393 PolarHBondContact O-N 3.16Å; L390-L393 PolarHBondContact O-N 2.91Å; L393-M396 PolarHBondContact O-N 2.85Å; L393-F397 VanDerWaalsContact O-CB 3.3Å; L393-F397 WeakPolarHBondContact O-CB 3.5Å; L393-F397 PolarHBondContact O-N 2.91Å
394Y97.4Very high93.8Very high0 Ų044.1 Ų44.10%023%0.225CC..Hα-helixtrans-66.6-40.9178.9-170.4-113.5000112.8L285 F287 L390 N391 F397 R398 F404 E405 V411 L563 F564L285-Y394 HydrophobicContact CD2-CD2 3.88Å; L285-Y394 HydrophobicContact CD2-CE2 4.27Å; F287-Y394 HydrophobicContact CE2-CD2 4.4Å; F287-Y394 HydrophobicContact CZ-CD2 4.24Å; L390-Y394 WeakPolarHBondContact O-CB 3.18Å; L390-Y394 PolarHBondContact O-N 2.6Å; N391-Y394 PolarHBondContact O-N 3.16Å; Y394-F397 HydrophobicContact CD2-CD1 4.27Å; Y394-F397 HydrophobicContact CE2-CD1 4.24Å; Y394-F397 WeakPolarHBondContact O-CB 2.95Å; Y394-F397 PolarHBondContact O-N 3.4Å; Y394-R398 HydrophobicContact CD1-CG 4.24Å; Y394-R398 HydrophobicContact CE1-CG 3.95Å; Y394-R398 HydrophobicContact CE2-CG 4.37Å; Y394-R398 WeakPolarHBondContact O-CG 3.5Å; Y394-R398 PolarHBondContact O-N 3.3Å; Y394-F404 HydrophobicContact CE2-CE1 4.44Å; Y394-E405 PolarHBondContact OH-OE1 2.78Å; Y394-V411 HydrophobicContact CD2-CG2 4.47Å; Y394-V411 HydrophobicContact CE2-CG2 3.81Å; Y394-L563 HydrophobicContact CD1-CB 3.54Å; Y394-L563 HydrophobicContact CE1-CB 4.06Å; Y394-L563 WeakPolarHBondContact CE1-O 3.12Å; Y394-F564 HydrophobicContact CD1-CB 3.93Å; Y394-F564 AromaticContact CD1-CD1 3.99Å; Y394-F564 HydrophobicContact CD1-CD1 3.99Å; Y394-F564 HydrophobicContact CD1-CG 4.48Å; Y394-F564 HydrophobicContact CD2-CB 3.93Å; Y394-F564 AromaticContact CD2-CD1 3.94Å; Y394-F564 HydrophobicContact CD2-CD1 3.94Å; Y394-F564 HydrophobicContact CD2-CG 4.27Å; Y394-F564 HydrophobicContact CE1-CB 3.61Å; Y394-F564 HydrophobicContact CE2-CB 3.68Å; Y394-F564 HydrophobicContact CE2-CG 4.46Å; Y394-F564 HydrophobicContact CG-CB 4.06Å; Y394-F564 AromaticContact CG-CD1 3.63Å; Y394-F564 HydrophobicContact CG-CD1 3.63Å; Y394-F564 HydrophobicContact CG-CG 4.29Å
395D95.9Very high94.3Very high51 Ų5144.2 Ų44.227%0.27322%0.219SC..Hα-helixtrans-62.2-45.3175.7172.958.1000111.6N391 R392 F397 R398 R399 L563N391-D395 WeakPolarHBondContact O-CB 3.46Å; N391-D395 PolarHBondContact O-N 3.23Å; R392-D395 PolarHBondContact O-N 3.46Å; D395-F397 VanDerWaalsContact C-N 3.34Å; D395-F397 PolarHBondContact O-N 3.47Å; D395-R398 PolarHBondContact O-N 2.96Å; D395-R399 WeakPolarHBondContact O-CG 3.28Å; D395-R399 PolarHBondContact O-N 3.1Å; D395-R399 VanDerWaalsContact O-N 3.14Å; D395-R399 IonicContact OD1-CZ 3.84Å; D395-R399 IonicContact OD1-NE 3.12Å; D395-R399 IonicContact OD1-NH2 3.66Å; D395-R399 PolarHBondContact OD1-NH2 3.14Å; D395-R399 VanDerWaalsContact OD1-NH2 3.16Å; D395-R399 IonicContact OD2-CZ 3.58Å; D395-R399 IonicContact OD2-NE 3.7Å; D395-R399 IonicContact OD2-NH1 2.71Å; D395-R399 PolarHBondContact OD2-NH1 3.38Å; D395-R399 IonicContact OD2-NH2 3.39Å; D395-R399 PolarHBondContact OD2-NH2 3.44Å; D395-L563 HydrophobicContact CB-CD1 4.12Å
396M94.7Very high94.7Very high45 Ų4547.6 Ų47.622%0.22224%0.243CC..Hα-helixtrans-60.1-43.9172.3-71.2178.366.800112.1T90 Y91 R392 L393 R398 R399 L400T90-M396 WeakPolarHBondContact O-CE 3.37Å; Y91-M396 HydrophobicContact CD1-CB 4.22Å; Y91-M396 HydrophobicContact CE1-CB 4.28Å; R392-M396 HydrophobicContact CG-SD 4.33Å; R392-M396 PolarHBondContact NH1-SD 3.27Å; R392-M396 WeakPolarHBondContact O-CG 2.78Å; R392-M396 PolarHBondContact O-N 3.26Å; L393-M396 PolarHBondContact O-N 2.85Å; M396-R398 PolarHBondContact O-N 3.3Å; M396-R399 PolarHBondContact O-N 3.03Å; M396-L400 WeakPolarHBondContact O-CG 3.39Å; M396-L400 PolarHBondContact O-N 3Å
397F96.9Very high94.9Very high0 Ų052.9 Ų52.90%026%0.263CS..Hα-helixtrans-60.5-43.5178.2169.9-93.4000112.4Y91 I282 L285 L393 Y394 D395 L400 N401 F404Y91-F397 HydrophobicContact CE1-CB 3.88Å; I282-F397 HydrophobicContact CB-CE2 4.31Å; I282-F397 HydrophobicContact CB-CZ 4.29Å; I282-F397 HydrophobicContact CD1-CD2 4.46Å; I282-F397 HydrophobicContact CD1-CE2 3.58Å; I282-F397 HydrophobicContact CD1-CZ 4.38Å; I282-F397 HydrophobicContact CG2-CE2 3.96Å; I282-F397 HydrophobicContact CG2-CZ 3.88Å; L285-F397 HydrophobicContact CB-CZ 4.24Å; L285-F397 HydrophobicContact CD1-CD2 4.02Å; L285-F397 HydrophobicContact CD1-CE2 3.94Å; L285-F397 HydrophobicContact CD1-CZ 4.44Å; L285-F397 HydrophobicContact CD2-CB 4.49Å; L285-F397 HydrophobicContact CD2-CD1 3.79Å; L285-F397 HydrophobicContact CD2-CD2 4.15Å; L285-F397 HydrophobicContact CD2-CE1 3.99Å; L285-F397 HydrophobicContact CD2-CE2 4.31Å; L285-F397 HydrophobicContact CD2-CG 3.88Å; L285-F397 HydrophobicContact CD2-CZ 4.25Å; L393-F397 VanDerWaalsContact O-CB 3.3Å; L393-F397 WeakPolarHBondContact O-CB 3.5Å; L393-F397 PolarHBondContact O-N 2.91Å; Y394-F397 HydrophobicContact CD2-CD1 4.27Å; Y394-F397 HydrophobicContact CE2-CD1 4.24Å; Y394-F397 WeakPolarHBondContact O-CB 2.95Å; Y394-F397 PolarHBondContact O-N 3.4Å; D395-F397 VanDerWaalsContact C-N 3.34Å; D395-F397 PolarHBondContact O-N 3.47Å; F397-L400 PolarHBondContact O-N 3.34Å; F397-N401 HydrophobicContact CE1-CB 4.4Å; F397-N401 HydrophobicContact CE2-CB 4.47Å; F397-N401 HydrophobicContact CZ-CB 4.22Å; F397-N401 WeakPolarHBondContact O-CB 3.39Å; F397-N401 PolarHBondContact O-N 3.44Å; F397-N401 PolarHBondContact O-ND2 2.99Å; F397-F404 HydrophobicContact CE1-CB 3.99Å; F397-F404 AromaticContact CE1-CD1 3.57Å; F397-F404 HydrophobicContact CE1-CD1 3.57Å; F397-F404 AromaticContact CE1-CD2 3.75Å; F397-F404 HydrophobicContact CE1-CD2 3.75Å; F397-F404 AromaticContact CE1-CE1 3.85Å; F397-F404 HydrophobicContact CE1-CE1 3.85Å; F397-F404 HydrophobicContact CE1-CE2 4.02Å; F397-F404 AromaticContact CE1-CG 3.49Å; F397-F404 HydrophobicContact CE1-CG 3.49Å; F397-F404 VanDerWaalsContact CE1-CG 3.49Å; F397-F404 HydrophobicContact CE1-CZ 4.04Å; F397-F404 HydrophobicContact CZ-CB 4.36Å; F397-F404 HydrophobicContact CZ-CD1 4.26Å; F397-F404 AromaticContact CZ-CD2 3.57Å; F397-F404 HydrophobicContact CZ-CD2 3.57Å; F397-F404 HydrophobicContact CZ-CE1 4.42Å; F397-F404 AromaticContact CZ-CE2 3.76Å; F397-F404 HydrophobicContact CZ-CE2 3.76Å; F397-F404 AromaticContact CZ-CG 3.81Å; F397-F404 HydrophobicContact CZ-CG 3.81Å; F397-F404 HydrophobicContact CZ-CZ 4.17Å
398R95.5Very high95Very high93 Ų9354 Ų5435%0.35128%0.281SS..Hα-helixtrans-64.9-38.5178-76.2178.370-168.919.8112.9Y394 D395 M396 L400 N401 P402 E405Y394-R398 HydrophobicContact CD1-CG 4.24Å; Y394-R398 HydrophobicContact CE1-CG 3.95Å; Y394-R398 HydrophobicContact CE2-CG 4.37Å; Y394-R398 WeakPolarHBondContact O-CG 3.5Å; Y394-R398 PolarHBondContact O-N 3.3Å; D395-R398 PolarHBondContact O-N 2.96Å; M396-R398 PolarHBondContact O-N 3.3Å; R398-L400 PolarHBondContact O-N 2.83Å; R398-N401 CarbonylContact O-C 3.5Å; R398-N401 PolarHBondContact O-N 3.31Å; R398-P402 WeakPolarHBondContact O-CA 3.39Å; R398-P402 VanDerWaalsContact O-N 3.17Å; R398-E405 WeakPolarHBondContact CD-OE1 3.15Å; R398-E405 IonicContact CZ-OE1 3.55Å; R398-E405 IonicContact CZ-OE2 3.15Å; R398-E405 IonicContact NE-OE1 2.75Å; R398-E405 PolarHBondContact NE-OE1 3.03Å; R398-E405 VanDerWaalsContact NE-OE1 3.13Å; R398-E405 IonicContact NE-OE2 2.9Å; R398-E405 PolarHBondContact NE-OE2 3.25Å; R398-E405 IonicContact NH2-OE1 3.71Å; R398-E405 IonicContact NH2-OE2 3.2Å; R398-E405 PolarHBondContact NH2-OE2 3.41Å
399R93.8Very high95.3Very high172 Ų17250.7 Ų50.765%0.64926%0.258SS*.Hα-helixtrans-61.4-35.8175.2-70.7-176.5-169.8122.39.2112.1D395 M396D395-R399 WeakPolarHBondContact O-CG 3.28Å; D395-R399 PolarHBondContact O-N 3.1Å; D395-R399 VanDerWaalsContact O-N 3.14Å; D395-R399 IonicContact OD1-CZ 3.84Å; D395-R399 IonicContact OD1-NE 3.12Å; D395-R399 IonicContact OD1-NH2 3.66Å; D395-R399 PolarHBondContact OD1-NH2 3.14Å; D395-R399 VanDerWaalsContact OD1-NH2 3.16Å; D395-R399 IonicContact OD2-CZ 3.58Å; D395-R399 IonicContact OD2-NE 3.7Å; D395-R399 IonicContact OD2-NH1 2.71Å; D395-R399 PolarHBondContact OD2-NH1 3.38Å; D395-R399 IonicContact OD2-NH2 3.39Å; D395-R399 PolarHBondContact OD2-NH2 3.44Å; M396-R399 PolarHBondContact O-N 3.03Å
400L91.9Very high95.6Very high62 Ų6252.7 Ų52.733%0.32527%0.267SS..Hα-helixtrans-84.4-21179.6-64.4164.2000113.1T90 Y91 M396 F397 R398T90-L400 HydrophobicContact CG2-CD1 3.33Å; Y91-L400 HydrophobicContact CE1-CD1 3.96Å; Y91-L400 HydrophobicContact CE2-CD1 4.49Å; Y91-L400 WeakPolarHBondContact OH-CD1 3.44Å; M396-L400 WeakPolarHBondContact O-CG 3.39Å; M396-L400 PolarHBondContact O-N 3Å; F397-L400 PolarHBondContact O-N 3.34Å; R398-L400 PolarHBondContact O-N 2.83Å
401N94.9Very high95.7Very high32 Ų3252.7 Ų52.717%0.17127%0.267CS..  trans-131.964.9-178.2-57.6-91.3000110.3F397 R398 D403 F404F397-N401 HydrophobicContact CE1-CB 4.4Å; F397-N401 HydrophobicContact CE2-CB 4.47Å; F397-N401 HydrophobicContact CZ-CB 4.22Å; F397-N401 WeakPolarHBondContact O-CB 3.39Å; F397-N401 PolarHBondContact O-N 3.44Å; F397-N401 PolarHBondContact O-ND2 2.99Å; R398-N401 CarbonylContact O-C 3.5Å; R398-N401 PolarHBondContact O-N 3.31Å; N401-D403 PolarHBondContact O-N 3.45Å; N401-D403 VanDerWaalsContact O-N 3.14Å; N401-F404 HydrophobicContact CB-CB 4.09Å; N401-F404 VanDerWaalsContact O-CB 3.25Å; N401-F404 WeakPolarHBondContact O-CB 3.46Å; N401-F404 PolarHBondContact O-N 3.05Å
402P95.2Very high95.8Very high97 Ų9752.2 Ų52.263%0.6326%0.264SS*.THydrogen-bonded Turntrans-59.4-29.6-172.922.8-34.1000113.4R398 F404R398-P402 WeakPolarHBondContact O-CA 3.39Å; R398-P402 VanDerWaalsContact O-N 3.17Å; P402-F404 VanDerWaalsContact C-N 3.34Å; P402-F404 PolarHBondContact O-N 3.07Å
403D95.1Very high96Very high102 Ų10249.5 Ų49.555%0.54525%0.254SS..THydrogen-bonded Turntrans-90.210.8179.8-56.8-46.2000113.6N401 S406 R407N401-D403 PolarHBondContact O-N 3.45Å; N401-D403 VanDerWaalsContact O-N 3.14Å; D403-S406 WeakPolarHBondContact CA-OG 3.49Å; D403-S406 PolarHBondContact O-OG 3.26Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.31Å; D403-R407 PolarHBondContact O-NE 3.06Å
404F97.1Very high96.1Very high1 Ų149.5 Ų49.50%0.00425%0.254CS..THydrogen-bonded Turntrans-63.4-52.4-179175.5-103.2000112I282 L285 Y394 F397 N401 P402 R407 G409 K410 V411I282-F404 HydrophobicContact CG2-CD2 4.48Å; I282-F404 HydrophobicContact CG2-CE2 4.14Å; I282-F404 WeakPolarHBondContact O-CD2 3.21Å; L285-F404 HydrophobicContact CB-CZ 4.09Å; Y394-F404 HydrophobicContact CE2-CE1 4.44Å; F397-F404 HydrophobicContact CE1-CB 3.99Å; F397-F404 AromaticContact CE1-CD1 3.57Å; F397-F404 HydrophobicContact CE1-CD1 3.57Å; F397-F404 AromaticContact CE1-CD2 3.75Å; F397-F404 HydrophobicContact CE1-CD2 3.75Å; F397-F404 AromaticContact CE1-CE1 3.85Å; F397-F404 HydrophobicContact CE1-CE1 3.85Å; F397-F404 HydrophobicContact CE1-CE2 4.02Å; F397-F404 AromaticContact CE1-CG 3.49Å; F397-F404 HydrophobicContact CE1-CG 3.49Å; F397-F404 VanDerWaalsContact CE1-CG 3.49Å; F397-F404 HydrophobicContact CE1-CZ 4.04Å; F397-F404 HydrophobicContact CZ-CB 4.36Å; F397-F404 HydrophobicContact CZ-CD1 4.26Å; F397-F404 AromaticContact CZ-CD2 3.57Å; F397-F404 HydrophobicContact CZ-CD2 3.57Å; F397-F404 HydrophobicContact CZ-CE1 4.42Å; F397-F404 AromaticContact CZ-CE2 3.76Å; F397-F404 HydrophobicContact CZ-CE2 3.76Å; F397-F404 AromaticContact CZ-CG 3.81Å; F397-F404 HydrophobicContact CZ-CG 3.81Å; F397-F404 HydrophobicContact CZ-CZ 4.17Å; N401-F404 HydrophobicContact CB-CB 4.09Å; N401-F404 VanDerWaalsContact O-CB 3.25Å; N401-F404 WeakPolarHBondContact O-CB 3.46Å; N401-F404 PolarHBondContact O-N 3.05Å; P402-F404 VanDerWaalsContact C-N 3.34Å; P402-F404 PolarHBondContact O-N 3.07Å; F404-R407 PolarHBondContact O-N 3.14Å; F404-G409 VanDerWaalsContact CZ-C 3.45Å; F404-G409 VanDerWaalsContact O-CA 3.28Å; F404-G409 WeakPolarHBondContact O-CA 3.14Å; F404-G409 PolarHBondContact O-N 3.33Å; F404-K410 WeakPolarHBondContact CZ-O 3.3Å; F404-V411 HydrophobicContact CE1-CG2 4.18Å; F404-V411 HydrophobicContact CZ-CG2 4.4Å
405E95.3Very high96.1Very high63 Ų6349.5 Ų49.529%0.29425%0.254SS..THydrogen-bonded Turntrans-69.3-41-176.8-67.4173.4166.100111.3Y394 R398 R407 G408Y394-E405 PolarHBondContact OH-OE1 2.78Å; R398-E405 WeakPolarHBondContact CD-OE1 3.15Å; R398-E405 IonicContact CZ-OE1 3.55Å; R398-E405 IonicContact CZ-OE2 3.15Å; R398-E405 IonicContact NE-OE1 2.75Å; R398-E405 PolarHBondContact NE-OE1 3.03Å; R398-E405 VanDerWaalsContact NE-OE1 3.13Å; R398-E405 IonicContact NE-OE2 2.9Å; R398-E405 PolarHBondContact NE-OE2 3.25Å; R398-E405 IonicContact NH2-OE1 3.71Å; R398-E405 IonicContact NH2-OE2 3.2Å; R398-E405 PolarHBondContact NH2-OE2 3.41Å; E405-R407 VanDerWaalsContact C-N 3.25Å; E405-R407 PolarHBondContact O-N 3.43Å; E405-G408 PolarHBondContact O-N 3.08Å
406S95.5Very high96Very high93 Ų9347.8 Ų47.865%0.6524%0.244SC*.THydrogen-bonded Turntrans-64.6-27.7179.662.10000113.1D403 G408D403-S406 WeakPolarHBondContact CA-OG 3.49Å; D403-S406 PolarHBondContact O-OG 3.26Å; S406-G408 VanDerWaalsContact C-N 3.27Å; S406-G408 PolarHBondContact O-N 3.29Å
407R95.1Very high95.9Very high110 Ų11046 Ų4642%0.41524%0.236SC..THydrogen-bonded Turntrans-857.4172.8-66.2-178-57.1126.36.1113.7D281 I282 D403 F404 E405D281-R407 VanDerWaalsContact CB-NH1 3.26Å; D281-R407 IonicContact OD2-NH1 3.41Å; I282-R407 PolarHBondContact O-NH2 3.34Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.31Å; D403-R407 PolarHBondContact O-NE 3.06Å; F404-R407 PolarHBondContact O-N 3.14Å; E405-R407 VanDerWaalsContact C-N 3.25Å; E405-R407 PolarHBondContact O-N 3.43Å
408G95.5Very high95.6Very high46 Ų4646.1 Ų46.147%0.47424%0.237SC..THydrogen-bonded Turntrans77.927.8-179.600000113.7E405 S406E405-G408 PolarHBondContact O-N 3.08Å; S406-G408 VanDerWaalsContact C-N 3.27Å; S406-G408 PolarHBondContact O-N 3.29Å
409G97Very high95.6Very high2 Ų241.7 Ų41.72%0.02122%0.22CC..  trans-55140.7178.400000113S283 F404 N567S283-G409 WeakPolarHBondContact O-CA 3.08Å; F404-G409 VanDerWaalsContact CZ-C 3.45Å; F404-G409 VanDerWaalsContact O-CA 3.28Å; F404-G409 WeakPolarHBondContact O-CA 3.14Å; F404-G409 PolarHBondContact O-N 3.33Å; G409-N567 PolarHBondContact O-ND2 3.21Å
410K97.8Very high95.7Very high69 Ų6933.5 Ų33.530%0.319%0.189SC..EExtended strand (participates in β ladder)trans-120.2146.2-173.9-66.2-59.7-170.4153.10111.8S283 H284 L285 F404 E569S283-K410 PolarHBondContact O-N 3.33Å; S283-K410 VanDerWaalsContact O-N 3.17Å; H284-K410 CarbonylContact C-O 3.39Å; H284-K410 VanDerWaalsContact CA-O 3.32Å; H284-K410 WeakPolarHBondContact CA-O 3.33Å; H284-K410 WeakPolarHBondContact CD2-CB 3.39Å; H284-K410 WeakPolarHBondContact NE2-CB 3.42Å; L285-K410 PolarHBondContact N-O 3.29Å; F404-K410 WeakPolarHBondContact CZ-O 3.3Å; K410-E569 HydrophobicContact CB-CB 4.45Å; K410-E569 IonicContact NZ-OE2 2.85Å; K410-E569 PolarHBondContact NZ-OE2 2.87Å
411V98.3Very high95.9Very high0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-114.9136.2179.3-1760000109.6L285 F287 Y394 F404 F564 N567 L568 E569L285-V411 HydrophobicContact CB-CG2 4.36Å; L285-V411 CarbonylContact O-C 3.6Å; L285-V411 VanDerWaalsContact O-CA 3.3Å; L285-V411 WeakPolarHBondContact O-CA 3.44Å; F287-V411 HydrophobicContact CD2-CG1 3.76Å; F287-V411 HydrophobicContact CE2-CG1 3.73Å; Y394-V411 HydrophobicContact CD2-CG2 4.47Å; Y394-V411 HydrophobicContact CE2-CG2 3.81Å; F404-V411 HydrophobicContact CE1-CG2 4.18Å; F404-V411 HydrophobicContact CZ-CG2 4.4Å; V411-F564 HydrophobicContact CB-CB 4.32Å; V411-F564 HydrophobicContact CB-CD2 4.07Å; V411-F564 HydrophobicContact CB-CG 4.41Å; V411-F564 HydrophobicContact CG1-CB 4.44Å; V411-F564 HydrophobicContact CG1-CD2 3.6Å; V411-F564 HydrophobicContact CG1-CE2 3.99Å; V411-F564 HydrophobicContact CG1-CG 4.03Å; V411-F564 HydrophobicContact CG2-CB 3.89Å; V411-F564 HydrophobicContact CG2-CG 4.36Å; V411-N567 HydrophobicContact CB-CB 4.48Å; V411-N567 HydrophobicContact CG2-CB 4.04Å; V411-N567 PolarHBondContact N-O 3.28Å; V411-L568 CarbonylContact O-C 3.6Å; V411-L568 WeakPolarHBondContact O-CA 3.46Å; V411-E569 PolarHBondContact O-N 3.38Å
412S98.5Very high95.8Very high0 Ų029 Ų290%017%0.166CC..EExtended strand (participates in β ladder)trans-129157.8171.6-65.40000110L285 C286 F287 N570L285-S412 PolarHBondContact O-N 3.24Å; C286-S412 CarbonylContact C-O 3.54Å; C286-S412 VanDerWaalsContact CA-O 3.29Å; C286-S412 WeakPolarHBondContact CA-O 2.91Å; F287-S412 PolarHBondContact N-O 3.35Å; S412-N570 CarbonylContact C-O 3.46Å; S412-N570 VanDerWaalsContact CA-O 3.28Å; S412-N570 WeakPolarHBondContact CA-O 3.5Å; S412-N570 WeakPolarHBondContact OG-CB 3.36Å; S412-N570 PolarHBondContact OG-ND2 2.82Å; S412-N570 VanDerWaalsContact OG-ND2 3.15Å
413I98.5Very high95.8Very high1 Ų124.4 Ų24.41%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-119.8129.8176.3-61.7175.2000108.5F287 I289 A415 V423 F564 L568 N570 L571 F572F287-I413 HydrophobicContact CB-CG1 4.36Å; F287-I413 WeakPolarHBondContact O-CA 3.39Å; I289-I413 HydrophobicContact CD1-CG2 3.63Å; I289-I413 HydrophobicContact CG1-CG2 4.39Å; I413-A415 HydrophobicContact CG2-CB 4.34Å; I413-V423 HydrophobicContact CD1-CG1 3.83Å; I413-V423 HydrophobicContact CG2-CG1 4.07Å; I413-V423 HydrophobicContact CG2-CG2 3.99Å; I413-F564 HydrophobicContact CD1-CE2 4.22Å; I413-L568 HydrophobicContact CD1-CD1 4.02Å; I413-L568 HydrophobicContact CG1-CD1 3.96Å; I413-N570 PolarHBondContact N-O 2.7Å; I413-L571 HydrophobicContact CB-CD1 3.99Å; I413-L571 HydrophobicContact CG2-CD1 3.95Å; I413-F572 PolarHBondContact O-N 3.31Å
414I97.8Very high95.9Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-110.8106171.8-54.1167.4000106.8C286 F287 V288 I289 L308 F332 F572 L574 W810 I819C286-I414 HydrophobicContact CB-CD1 4.1Å; F287-I414 PolarHBondContact O-N 3.44Å; V288-I414 WeakPolarHBondContact CA-O 3.32Å; I289-I414 PolarHBondContact N-O 3.3Å; L308-I414 HydrophobicContact CD2-CD1 3.92Å; F332-I414 HydrophobicContact CD1-CD1 4.04Å; F332-I414 HydrophobicContact CE1-CD1 3.84Å; I414-F572 HydrophobicContact CG1-CB 4.3Å; I414-F572 HydrophobicContact CG1-CD2 3.9Å; I414-F572 HydrophobicContact CG1-CG 4.44Å; I414-F572 HydrophobicContact CG2-CB 4.36Å; I414-L574 HydrophobicContact CG2-CD1 3.6Å; I414-L574 HydrophobicContact CG2-CG 4.13Å; I414-W810 HydrophobicContact CG2-CZ3 3.81Å; I414-I819 HydrophobicContact CD1-CD1 3.99Å; I414-I819 HydrophobicContact CD1-CG2 4.31Å; I414-I819 HydrophobicContact CG1-CD1 4.44Å; I414-I819 HydrophobicContact CG2-CD1 4.45Å
415A96.9Very high95.7Very high0 Ų020.3 Ų20.30%011%0.113CC..EExtended strand (participates in β ladder)trans-112.5144.7-177.700000110.2I289 I413 C420 V423 L571 F572 L574I289-A415 HydrophobicContact CB-CB 4.38Å; I289-A415 WeakPolarHBondContact O-CA 3.3Å; I413-A415 HydrophobicContact CG2-CB 4.34Å; A415-C420 HydrophobicContact CB-CB 4.29Å; A415-C420 PolarHBondContact O-SG 3.49Å; A415-V423 HydrophobicContact CB-CG2 4.16Å; A415-L571 HydrophobicContact CB-CD1 4.41Å; A415-F572 PolarHBondContact N-O 2.86Å; A415-L574 PolarHBondContact O-N 3.17Å
416H94Very high95.5Very high15 Ų1517.8 Ų17.87%0.06910%0.101CC..EExtended strand (participates in β ladder)trans-121.1139.2179.1174.2-109.4000111.5I289 G291 L418 G419 L574 H806 Y809 W810I289-H416 PolarHBondContact O-N 2.88Å; G291-H416 WeakPolarHBondContact CA-O 3.38Å; G291-H416 PolarHBondContact N-O 3.47Å; H416-L418 PolarHBondContact O-N 3.36Å; H416-G419 WeakPolarHBondContact O-CA 3.29Å; H416-G419 PolarHBondContact O-N 3.04Å; H416-L574 WeakPolarHBondContact CA-O 3.41Å; H416-L574 HydrophobicContact CB-CB 4.43Å; H416-L574 PolarHBondContact CD2-O 3.45Å; H416-L574 VanDerWaalsContact CD2-O 3.31Å; H416-H806 AromaticContact CE1-NE2 3.72Å; H416-H806 PolarHBondContact CE1-O 3.41Å; H416-H806 VanDerWaalsContact CE1-O 3.24Å; H416-H806 AromaticContact NE2-CE1 3.91Å; H416-H806 AromaticContact NE2-NE2 3.91Å; H416-H806 PolarHBondContact NE2-O 2.85Å; H416-Y809 AromaticContact CD2-CD2 3.73Å; H416-Y809 AromaticContact NE2-CD2 3.62Å; H416-W810 HydrophobicContact CB-CH2 3.5Å; H416-W810 VanDerWaalsContact CB-CH2 3.5Å; H416-W810 HydrophobicContact CB-CZ2 3.18Å; H416-W810 AromaticContact CG-CZ2 3.78Å
417S92.9Very high95.5Very high7 Ų714.3 Ų14.35%0.0498%0.075CC..THydrogen-bonded Turntrans52.4-129.3172.5-1700000111.9G419 C420 L574 P577 H806S417-G419 PolarHBondContact O-N 3.26Å; S417-G419 VanDerWaalsContact O-N 3.14Å; S417-C420 WeakPolarHBondContact O-CB 3.26Å; S417-C420 PolarHBondContact O-N 2.96Å; S417-C420 PolarHBondContact O-SG 3.3Å; S417-L574 PolarHBondContact N-O 3.35Å; S417-P577 WeakPolarHBondContact O-CD 3.44Å; S417-H806 VanDerWaalsContact CB-CE1 3.49Å; S417-H806 WeakPolarHBondContact CB-CE1 3.37Å; S417-H806 VanDerWaalsContact CB-NE2 3.32Å; S417-H806 WeakPolarHBondContact CB-NE2 3.27Å; S417-H806 PolarHBondContact OG-CE1 3.04Å; S417-H806 VanDerWaalsContact OG-CE1 3.28Å; S417-H806 PolarHBondContact OG-NE2 3.42Å
418L91.8Very high95.2Very high4 Ų410.1 Ų10.12%0.0216%0.062CC..Hα-helixtrans-53.4-31.4176.7-176.264.2000113.4I292 D369 I370 Y373 H416 C420 V421 L422I292-L418 HydrophobicContact CG2-CB 3.78Å; I292-L418 HydrophobicContact CG2-CD2 3.66Å; I292-L418 HydrophobicContact CG2-CG 4.37Å; D369-L418 HydrophobicContact CB-CD2 4.2Å; I370-L418 HydrophobicContact CG1-CD2 4.38Å; Y373-L418 HydrophobicContact CD1-CD1 3.8Å; Y373-L418 HydrophobicContact CE1-CD1 4.32Å; Y373-L418 HydrophobicContact CG-CD1 4.08Å; H416-L418 PolarHBondContact O-N 3.36Å; L418-C420 PolarHBondContact O-N 2.76Å; L418-C420 VanDerWaalsContact O-N 3.15Å; L418-V421 HydrophobicContact CD1-CB 4.38Å; L418-V421 WeakPolarHBondContact O-CB 3.38Å; L418-V421 PolarHBondContact O-N 3.44Å; L418-L422 HydrophobicContact CG-CG 4.42Å; L418-L422 PolarHBondContact O-N 3.4Å; L418-L422 VanDerWaalsContact O-N 3.11Å
419G94.1Very high94.8Very high0 Ų08.7 Ų8.70%05%0.047CC..Hα-helixtrans-57.1-31.2178.500000112.6H416 S417 V421 L422 V423H416-G419 WeakPolarHBondContact O-CA 3.29Å; H416-G419 PolarHBondContact O-N 3.04Å; S417-G419 PolarHBondContact O-N 3.26Å; S417-G419 VanDerWaalsContact O-N 3.14Å; G419-V421 VanDerWaalsContact C-N 3.34Å; G419-V421 PolarHBondContact O-N 3.15Å; G419-L422 PolarHBondContact O-N 3.26Å; G419-V423 VanDerWaalsContact O-CG2 3.26Å; G419-V423 WeakPolarHBondContact O-CG2 3.25Å; G419-V423 PolarHBondContact O-N 3.19Å
420C96.6Very high94.1Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-64.6-39.6176-51.50000112A415 S417 L418 Y424 C573 S576A415-C420 HydrophobicContact CB-CB 4.29Å; A415-C420 PolarHBondContact O-SG 3.49Å; S417-C420 WeakPolarHBondContact O-CB 3.26Å; S417-C420 PolarHBondContact O-N 2.96Å; S417-C420 PolarHBondContact O-SG 3.3Å; L418-C420 PolarHBondContact O-N 2.76Å; L418-C420 VanDerWaalsContact O-N 3.15Å; C420-Y424 VanDerWaalsContact O-CB 3.3Å; C420-Y424 WeakPolarHBondContact O-CB 3.18Å; C420-Y424 PolarHBondContact O-N 3.46Å; C420-C573 HydrophobicContact CB-CB 4.16Å; C420-S576 WeakPolarHBondContact CB-OG 3.33Å
421V95.2Very high92.5Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-70.1-42.3179.2-1720000110Y373 L418 G419 V423 Y424 D425 P577 L578 Y581Y373-V421 HydrophobicContact CE1-CG1 3.97Å; Y373-V421 HydrophobicContact CE2-CG1 4.48Å; Y373-V421 VanDerWaalsContact OH-CG1 3.22Å; Y373-V421 WeakPolarHBondContact OH-CG1 3.43Å; L418-V421 HydrophobicContact CD1-CB 4.38Å; L418-V421 WeakPolarHBondContact O-CB 3.38Å; L418-V421 PolarHBondContact O-N 3.44Å; G419-V421 VanDerWaalsContact C-N 3.34Å; G419-V421 PolarHBondContact O-N 3.15Å; V421-V423 PolarHBondContact O-N 2.84Å; V421-Y424 PolarHBondContact O-N 3.3Å; V421-D425 VanDerWaalsContact O-CG 3.25Å; V421-D425 PolarHBondContact O-N 3.25Å; V421-P577 HydrophobicContact CG2-CG 4.05Å; V421-L578 HydrophobicContact CG2-CB 4.44Å; V421-L578 HydrophobicContact CG2-CD1 4.45Å; V421-Y581 HydrophobicContact CG1-CD1 4.07Å; V421-Y581 HydrophobicContact CG1-CD2 4.24Å; V421-Y581 HydrophobicContact CG1-CE1 4.46Å; V421-Y581 HydrophobicContact CG1-CG 3.95Å; V421-Y581 HydrophobicContact CG2-CD2 3.75Å; V421-Y581 HydrophobicContact CG2-CE2 4.03Å; V421-Y581 HydrophobicContact CG2-CG 4.24Å
422L94.2Very high90.4Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-59.3-47.6175.7-62-179.6000111.8W337 Y373 I382 I383 L386 L418 G419 D425 L426W337-L422 HydrophobicContact CD2-CD1 4.09Å; W337-L422 HydrophobicContact CE3-CD1 4.43Å; W337-L422 HydrophobicContact CH2-CD1 4.03Å; W337-L422 HydrophobicContact CZ2-CD1 3.63Å; W337-L422 HydrophobicContact CZ3-CD1 4.4Å; Y373-L422 HydrophobicContact CD2-CD2 3.26Å; Y373-L422 HydrophobicContact CE2-CD2 3.64Å; Y373-L422 HydrophobicContact CG-CD2 4.12Å; I382-L422 HydrophobicContact CG2-CD1 3.95Å; I382-L422 HydrophobicContact CG2-CD2 3.72Å; I382-L422 HydrophobicContact CG2-CG 4.46Å; I383-L422 HydrophobicContact CD1-CB 4.38Å; I383-L422 HydrophobicContact CD1-CD2 4.21Å; I383-L422 WeakPolarHBondContact CD1-O 3.37Å; L386-L422 HydrophobicContact CD2-CB 3.86Å; L418-L422 HydrophobicContact CG-CG 4.42Å; L418-L422 PolarHBondContact O-N 3.4Å; L418-L422 VanDerWaalsContact O-N 3.11Å; G419-L422 PolarHBondContact O-N 3.26Å; L422-D425 PolarHBondContact O-N 2.66Å; L422-L426 VanDerWaalsContact O-CB 3.3Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.35Å
423V95.7Very high88.2Confident0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-64.4-45.1178.1173.20000111I289 L386 I413 A415 G419 V421 D425 L426 I427 L571I289-V423 HydrophobicContact CD1-CG2 3.26Å; I289-V423 HydrophobicContact CG1-CG2 4.45Å; I289-V423 HydrophobicContact CG2-CG2 4.36Å; L386-V423 HydrophobicContact CD2-CG2 4.38Å; I413-V423 HydrophobicContact CD1-CG1 3.83Å; I413-V423 HydrophobicContact CG2-CG1 4.07Å; I413-V423 HydrophobicContact CG2-CG2 3.99Å; A415-V423 HydrophobicContact CB-CG2 4.16Å; G419-V423 VanDerWaalsContact O-CG2 3.26Å; G419-V423 WeakPolarHBondContact O-CG2 3.25Å; G419-V423 PolarHBondContact O-N 3.19Å; V421-V423 PolarHBondContact O-N 2.84Å; V423-D425 VanDerWaalsContact C-N 3.32Å; V423-D425 PolarHBondContact O-N 3.19Å; V423-L426 PolarHBondContact O-N 3.43Å; V423-I427 HydrophobicContact CG1-CD1 4.4Å; V423-I427 HydrophobicContact CG1-CG2 4.2Å; V423-I427 WeakPolarHBondContact O-CG1 3.37Å; V423-I427 WeakPolarHBondContact O-CG2 3.45Å; V423-I427 PolarHBondContact O-N 2.96Å; V423-L571 HydrophobicContact CB-CD1 4.42Å; V423-L571 HydrophobicContact CG1-CD1 3.69Å; V423-L571 HydrophobicContact CG1-CD2 4.23Å
424Y95.3Very high85.8Confident14 Ų1421.8 Ų21.86%0.05512%0.118CC..Hα-helixtrans-56.4-48.3177.3179.8-85.9000110.9C420 V421 L426 I427 T428 L578 L582 I598 L599C420-Y424 VanDerWaalsContact O-CB 3.3Å; C420-Y424 WeakPolarHBondContact O-CB 3.18Å; C420-Y424 PolarHBondContact O-N 3.46Å; V421-Y424 PolarHBondContact O-N 3.3Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; Y424-L426 PolarHBondContact O-N 3.01Å; Y424-I427 PolarHBondContact O-N 3.34Å; Y424-T428 HydrophobicContact CD1-CG2 4.34Å; Y424-T428 HydrophobicContact CD2-CG2 4.28Å; Y424-T428 HydrophobicContact CE1-CG2 4.02Å; Y424-T428 HydrophobicContact CE2-CG2 3.95Å; Y424-T428 HydrophobicContact CG-CG2 4.46Å; Y424-T428 WeakPolarHBondContact O-CB 3.39Å; Y424-T428 VanDerWaalsContact O-CG2 3.32Å; Y424-T428 WeakPolarHBondContact O-CG2 3.29Å; Y424-T428 PolarHBondContact O-N 2.84Å; Y424-T428 PolarHBondContact O-OG1 3.04Å; Y424-L578 HydrophobicContact CD1-CD1 4.05Å; Y424-L578 HydrophobicContact CD2-CD1 4.14Å; Y424-L578 HydrophobicContact CD2-CD2 3.97Å; Y424-L578 HydrophobicContact CG-CD1 3.72Å; Y424-L578 HydrophobicContact CG-CD2 4.26Å; Y424-L582 HydrophobicContact CD1-CD2 4.42Å; Y424-L582 HydrophobicContact CE1-CD2 3.65Å; Y424-L582 HydrophobicContact CE2-CD2 4.15Å; Y424-L582 VanDerWaalsContact CZ-CD2 3.48Å; Y424-L582 WeakPolarHBondContact OH-CD2 3.22Å; Y424-I598 HydrophobicContact CE2-CG2 4.1Å; Y424-I598 WeakPolarHBondContact CE2-O 3.24Å; Y424-I598 PolarHBondContact OH-O 2.81Å; Y424-L599 HydrophobicContact CE2-CB 4.4Å; Y424-L599 HydrophobicContact CE2-CD1 4.37Å
425D93.1Very high83.4Confident2 Ų226.2 Ų26.21%0.01114%0.142CC..Hα-helixtrans-63.1-41.8179.2-69.5-1.1000111.9Y373 I383 V421 L422 V423 G429 W430 R585Y373-D425 WeakPolarHBondContact CE2-OD2 3.31Å; Y373-D425 PolarHBondContact OH-OD2 2.96Å; I383-D425 HydrophobicContact CD1-CB 3.99Å; V421-D425 VanDerWaalsContact O-CG 3.25Å; V421-D425 PolarHBondContact O-N 3.25Å; L422-D425 PolarHBondContact O-N 2.66Å; V423-D425 VanDerWaalsContact C-N 3.32Å; V423-D425 PolarHBondContact O-N 3.19Å; D425-G429 CarbonylContact O-C 3.6Å; D425-G429 WeakPolarHBondContact O-CA 3.42Å; D425-G429 PolarHBondContact O-N 2.8Å; D425-W430 HydrophobicContact CB-CB 4.31Å; D425-W430 PolarHBondContact O-N 2.9Å; D425-R585 IonicContact OD1-CZ 2.7Å; D425-R585 IonicContact OD1-NH1 2.8Å; D425-R585 PolarHBondContact OD1-NH1 3.37Å; D425-R585 IonicContact OD1-NH2 3.64Å; D425-R585 PolarHBondContact OD1-NH2 3.47Å; D425-R585 IonicContact OD2-CZ 2.8Å; D425-R585 IonicContact OD2-NH2 3.63Å; D425-R585 PolarHBondContact OD2-NH2 3.3Å
426L92.8Very high81.1Confident11 Ų1133 Ų336%0.05818%0.178CC..Hα-helixtrans-61.8-51.2178.2174.661.9000112.2I383 L386 K387 L390 L422 V423 Y424 G429 L562I383-L426 HydrophobicContact CD1-CB 4.45Å; I383-L426 HydrophobicContact CG2-CB 4.37Å; I383-L426 HydrophobicContact CG2-CD1 3.88Å; L386-L426 HydrophobicContact CD2-CD2 3.99Å; L386-L426 HydrophobicContact CG-CD2 3.95Å; K387-L426 HydrophobicContact CB-CD1 3.66Å; K387-L426 HydrophobicContact CB-CD2 4.39Å; K387-L426 HydrophobicContact CD-CD1 3.79Å; K387-L426 HydrophobicContact CG-CD1 3.81Å; L390-L426 HydrophobicContact CD1-CD2 3.66Å; L422-L426 VanDerWaalsContact O-CB 3.3Å; L422-L426 WeakPolarHBondContact O-CB 3.42Å; L422-L426 PolarHBondContact O-N 3.35Å; V423-L426 PolarHBondContact O-N 3.43Å; Y424-L426 VanDerWaalsContact C-N 3.33Å; Y424-L426 PolarHBondContact O-N 3.01Å; L426-G429 PolarHBondContact O-N 2.88Å; L426-L562 HydrophobicContact CD2-CD1 4.24Å; L426-L562 HydrophobicContact CD2-CD2 4.25Å; L426-L562 HydrophobicContact CG-CD1 4.19Å
427I93.7Very high79.4Confident19 Ų1934.8 Ų34.810%0.09719%0.188CC..Hα-helixtrans-76.1-27.1-174.969.7-176.2000112.6V423 Y424 L562 L568 L571 L599 I603 C604V423-I427 HydrophobicContact CG1-CD1 4.4Å; V423-I427 HydrophobicContact CG1-CG2 4.2Å; V423-I427 WeakPolarHBondContact O-CG1 3.37Å; V423-I427 WeakPolarHBondContact O-CG2 3.45Å; V423-I427 PolarHBondContact O-N 2.96Å; Y424-I427 PolarHBondContact O-N 3.34Å; I427-L562 HydrophobicContact CG2-CD1 3.88Å; I427-L568 HydrophobicContact CG2-CD2 4.18Å; I427-L571 HydrophobicContact CD1-CD2 3.97Å; I427-L599 HydrophobicContact CD1-CD1 3.86Å; I427-L599 HydrophobicContact CD1-CD2 4.05Å; I427-L599 HydrophobicContact CG1-CD1 4.16Å; I427-I603 HydrophobicContact CB-CG2 3.87Å; I427-I603 HydrophobicContact CD1-CG2 4.38Å; I427-I603 HydrophobicContact CG1-CG2 4.06Å; I427-I603 VanDerWaalsContact O-CG2 3.26Å; I427-I603 WeakPolarHBondContact O-CG2 3.39Å; I427-C604 HydrophobicContact CD1-CB 4.46Å
428T90.6Very high77.4Confident22 Ų2237.5 Ų37.514%0.13521%0.205CC..Hα-helixtrans-88.3-11.8176.360.40000113.4Y424 W430 L599Y424-T428 HydrophobicContact CD1-CG2 4.34Å; Y424-T428 HydrophobicContact CD2-CG2 4.28Å; Y424-T428 HydrophobicContact CE1-CG2 4.02Å; Y424-T428 HydrophobicContact CE2-CG2 3.95Å; Y424-T428 HydrophobicContact CG-CG2 4.46Å; Y424-T428 WeakPolarHBondContact O-CB 3.39Å; Y424-T428 VanDerWaalsContact O-CG2 3.32Å; Y424-T428 WeakPolarHBondContact O-CG2 3.29Å; Y424-T428 PolarHBondContact O-N 2.84Å; Y424-T428 PolarHBondContact O-OG1 3.04Å; T428-W430 VanDerWaalsContact C-N 3.29Å; T428-L599 HydrophobicContact CG2-CD1 3.63Å
429G86.9Confident75.4Confident16 Ų1640.5 Ų40.517%0.16522%0.221CC..THydrogen-bonded Turntrans6926.2-173.500000113.1D425 L426 N431D425-G429 CarbonylContact O-C 3.6Å; D425-G429 WeakPolarHBondContact O-CA 3.42Å; D425-G429 PolarHBondContact O-N 2.8Å; L426-G429 PolarHBondContact O-N 2.88Å; G429-N431 PolarHBondContact O-N 3.42Å
430W81.2Confident73.4Confident63 Ų6341.3 Ų41.324%0.23923%0.226CC..  trans-70.7100.1-175.2-168.982000111.3D425 T428 Q432 R585D425-W430 HydrophobicContact CB-CB 4.31Å; D425-W430 PolarHBondContact O-N 2.9Å; T428-W430 VanDerWaalsContact C-N 3.29Å; W430-Q432 HydrophobicContact CE3-CG 4.28Å; W430-Q432 HydrophobicContact CH2-CG 3.1Å; W430-Q432 HydrophobicContact CZ2-CG 3.27Å; W430-Q432 HydrophobicContact CZ3-CG 3.61Å; W430-R585 VanDerWaalsContact CE2-CD 3.49Å; W430-R585 VanDerWaalsContact CE3-CZ 3.42Å; W430-R585 HydrophobicContact CH2-CG 3.79Å; W430-R585 HydrophobicContact CZ2-CB 4.27Å; W430-R585 HydrophobicContact CZ2-CG 3.33Å; W430-R585 VanDerWaalsContact CZ2-NE 3.34Å; W430-R585 VanDerWaalsContact CZ3-CZ 3.42Å
431N65.2Low71.2Confident49 Ų4946.4 Ų46.426%0.26225%0.25SS..  trans-112.4128.7172.5-74-16.7000109.7G429 V433 H557G429-N431 PolarHBondContact O-N 3.42Å; N431-V433 PolarHBondContact O-N 3.21Å; N431-H557 PolarHBondContact ND2-CD2 3.16Å; N431-H557 VanDerWaalsContact ND2-CD2 3.27Å; N431-H557 PolarHBondContact ND2-NE2 3.45Å; N431-H557 PolarHBondContact OD1-NE2 3.07Å; N431-H557 VanDerWaalsContact OD1-NE2 3.13Å
432Q54Low69.2Low108 Ų10849.3 Ų49.351%0.50527%0.265SS..  trans-83.43.3175.1-76.2-169.3-46.100114.1W430 P434W430-Q432 HydrophobicContact CE3-CG 4.28Å; W430-Q432 HydrophobicContact CH2-CG 3.1Å; W430-Q432 HydrophobicContact CZ2-CG 3.27Å; W430-Q432 HydrophobicContact CZ3-CG 3.61Å; Q432-P434 WeakPolarHBondContact O-CD 3.25Å
433V50.8Low67Low36 Ų3652.3 Ų52.322%0.21828%0.28CS..SBendtrans-92.9119-176.6-171.20000107.5N431 D435 D437 T440N431-V433 PolarHBondContact O-N 3.21Å; V433-D435 PolarHBondContact O-N 3.44Å; V433-D437 HydrophobicContact CG1-CB 3.55Å; V433-T440 HydrophobicContact CB-CG2 4.03Å; V433-T440 HydrophobicContact CG1-CG2 3.46Å; V433-T440 VanDerWaalsContact CG1-CG2 3.46Å; V433-T440 WeakPolarHBondContact CG1-OG1 3.42Å; V433-T440 HydrophobicContact CG2-CG2 4.03Å
434P48.7Very low64.9Low92 Ų9254.2 Ų54.260%0.59729%0.291SS*.  trans-54.7137.9166.2-16.729.3000108.1Q432 N436 D437Q432-P434 WeakPolarHBondContact O-CD 3.25Å; P434-N436 PolarHBondContact O-N 2.73Å; P434-D437 PolarHBondContact O-N 3.3Å
435D48.8Very low62.8Low93 Ų9357.7 Ų57.750%0.49731%0.31SS..THydrogen-bonded Turntrans-56.4-3.9177.8-63.8-49.4000113.6V433 S554V433-D435 PolarHBondContact O-N 3.44Å; D435-S554 PolarHBondContact OD1-OG 2.98Å
436N48.3Very low60.6Low143 Ų14363.7 Ų63.777%0.76534%0.336SS*.THydrogen-bonded Turntrans-116.522.5177.3-63.4-30.4000114.3P434 P438P434-N436 PolarHBondContact O-N 2.73Å; N436-P438 WeakPolarHBondContact O-CD 3.38Å
437D56.7Low58.2Low52 Ų5268 Ų6828%0.27837%0.367SS..  trans-77.6105.8165.5175.929.2000109.2V433 P434 L439 T440 E441V433-D437 HydrophobicContact CG1-CB 3.55Å; P434-D437 PolarHBondContact O-N 3.3Å; D437-L439 PolarHBondContact O-N 2.85Å; D437-L439 VanDerWaalsContact O-N 3.08Å; D437-L439 PolarHBondContact OD1-N 2.78Å; D437-T440 PolarHBondContact O-N 3.47Å; D437-T440 WeakPolarHBondContact OD2-CB 3.2Å; D437-T440 PolarHBondContact OD2-N 3.27Å; D437-T440 PolarHBondContact OD2-OG1 2.91Å; D437-E441 PolarHBondContact O-N 2.84Å
438P52.6Low55.7Low63 Ų6371.2 Ų71.241%0.40939%0.388SS..Hα-helixtrans-59.9-25.7-176.723.3-33.3000112.2N436 I442 L505N436-P438 WeakPolarHBondContact O-CD 3.38Å; P438-I442 WeakPolarHBondContact O-CB 3.36Å; P438-I442 WeakPolarHBondContact O-CD1 3.23Å; P438-I442 WeakPolarHBondContact O-CG1 3.39Å; P438-I442 PolarHBondContact O-N 3.28Å; P438-L505 HydrophobicContact CB-CD2 4.08Å; P438-L505 HydrophobicContact CG-CD2 3.75Å
439L48.9Very low53.1Low68 Ų6873.8 Ų73.836%0.35640%0.401SS..Hα-helixtrans-63.7-48.9172.4-96161.2000111.3D437 L443 L505D437-L439 PolarHBondContact O-N 2.85Å; D437-L439 VanDerWaalsContact O-N 3.08Å; D437-L439 PolarHBondContact OD1-N 2.78Å; L439-L443 WeakPolarHBondContact O-CB 2.73Å; L439-L443 VanDerWaalsContact O-CD1 3.23Å; L439-L443 WeakPolarHBondContact O-CD1 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 2.86Å; L439-L443 VanDerWaalsContact O-N 3.07Å; L439-L505 HydrophobicContact CD2-CD1 3.71Å; L439-L505 HydrophobicContact CG-CD1 3.62Å
440T51.5Low50.9Low17 Ų1782.5 Ų82.510%0.10443%0.434CS..Hα-helixtrans-72.7-37.8-174.8-61.30000112.5V433 D437 L443 L444V433-T440 HydrophobicContact CB-CG2 4.03Å; V433-T440 HydrophobicContact CG1-CG2 3.46Å; V433-T440 VanDerWaalsContact CG1-CG2 3.46Å; V433-T440 WeakPolarHBondContact CG1-OG1 3.42Å; V433-T440 HydrophobicContact CG2-CG2 4.03Å; D437-T440 PolarHBondContact O-N 3.47Å; D437-T440 WeakPolarHBondContact OD2-CB 3.2Å; D437-T440 PolarHBondContact OD2-N 3.27Å; D437-T440 PolarHBondContact OD2-OG1 2.91Å; T440-L443 PolarHBondContact O-N 3.33Å; T440-L444 HydrophobicContact CG2-CD1 3.31Å; T440-L444 HydrophobicContact CG2-CG 4.1Å; T440-L444 WeakPolarHBondContact O-CB 3.44Å; T440-L444 WeakPolarHBondContact O-CD1 3.5Å; T440-L444 VanDerWaalsContact O-CG 3.27Å; T440-L444 WeakPolarHBondContact O-CG 3.4Å; T440-L444 PolarHBondContact O-N 3.23Å
441E51.1Low48.6Very low107 Ų10787.4 Ų87.450%0.546%0.457SS..Hα-helixtrans-64.3-42175.4-164.8-177.8-17400111.9D437 L443 N445D437-E441 PolarHBondContact O-N 2.84Å; E441-L443 VanDerWaalsContact C-N 3.3Å; E441-L443 PolarHBondContact O-N 3.2Å; E441-N445 VanDerWaalsContact O-CB 3.3Å; E441-N445 WeakPolarHBondContact O-CB 3.46Å; E441-N445 PolarHBondContact O-N 3.4Å; E441-N445 PolarHBondContact O-ND2 3.31Å
442I53.4Low47.1Very low61 Ų6190 Ų9031%0.31347%0.47SS..Hα-helixtrans-65.4-34.7175.5-67.5168.4000111.6P438 K446 T501 L505P438-I442 WeakPolarHBondContact O-CB 3.36Å; P438-I442 WeakPolarHBondContact O-CD1 3.23Å; P438-I442 WeakPolarHBondContact O-CG1 3.39Å; P438-I442 PolarHBondContact O-N 3.28Å; I442-K446 HydrophobicContact CG2-CD 4.49Å; I442-T501 HydrophobicContact CD1-CG2 4.43Å; I442-T501 HydrophobicContact CG2-CG2 3.8Å; I442-L505 HydrophobicContact CD1-CD1 4.25Å
443L48.7Very low46.1Very low62 Ų6291.8 Ų91.833%0.32548%0.476SS..Hα-helixtrans-77.5-36.1-179-72.1167.3000112.8L377 L439 T440 E441L377-L443 HydrophobicContact CD2-CD1 3.23Å; L439-L443 WeakPolarHBondContact O-CB 2.73Å; L439-L443 VanDerWaalsContact O-CD1 3.23Å; L439-L443 WeakPolarHBondContact O-CD1 3.38Å; L439-L443 WeakPolarHBondContact O-CG 3.35Å; L439-L443 PolarHBondContact O-N 2.86Å; L439-L443 VanDerWaalsContact O-N 3.07Å; T440-L443 PolarHBondContact O-N 3.33Å; E441-L443 VanDerWaalsContact C-N 3.3Å; E441-L443 PolarHBondContact O-N 3.2Å
444L50.5Low45.3Very low41 Ų4193.3 Ų93.322%0.21549%0.488CS..Hα-helixtrans-76.5-41.3179.1-72.5164.1000111.9T440 K446 S447 T448 L556T440-L444 HydrophobicContact CG2-CD1 3.31Å; T440-L444 HydrophobicContact CG2-CG 4.1Å; T440-L444 WeakPolarHBondContact O-CB 3.44Å; T440-L444 WeakPolarHBondContact O-CD1 3.5Å; T440-L444 VanDerWaalsContact O-CG 3.27Å; T440-L444 WeakPolarHBondContact O-CG 3.4Å; T440-L444 PolarHBondContact O-N 3.23Å; L444-K446 PolarHBondContact O-N 3.25Å; L444-S447 PolarHBondContact O-N 2.91Å; L444-T448 PolarHBondContact O-OG1 2.85Å; L444-L556 HydrophobicContact CB-CD1 3.85Å; L444-L556 HydrophobicContact CB-CD2 3.88Å; L444-L556 HydrophobicContact CB-CG 4.44Å; L444-L556 HydrophobicContact CD1-CD1 3.65Å; L444-L556 HydrophobicContact CD1-CD2 3.66Å; L444-L556 HydrophobicContact CD1-CG 4.19Å; L444-L556 HydrophobicContact CD2-CD2 3.29Å; L444-L556 HydrophobicContact CG-CD1 4.22Å; L444-L556 HydrophobicContact CG-CD2 3.75Å
445N50.5Low44.4Very low86 Ų8694.8 Ų94.846%0.4649%0.491SS..Hα-helixtrans-69.9-16.2179.2-73.9-21.9000114E441E441-N445 VanDerWaalsContact O-CB 3.3Å; E441-N445 WeakPolarHBondContact O-CB 3.46Å; E441-N445 PolarHBondContact O-N 3.4Å; E441-N445 PolarHBondContact O-ND2 3.31Å
446K47.7Very low43.6Very low128 Ų12895 Ų9556%0.55750%0.5SS*.Hα-helixtrans-96.7-13.3176.5-75.7-179.4177.9175.90114.4I442 L444I442-K446 HydrophobicContact CG2-CD 4.49Å; L444-K446 PolarHBondContact O-N 3.25Å
447S41.8Very low42.9Very low102 Ų10291.7 Ų91.771%0.71349%0.492SS*.Hα-helixtrans-80.6-20.4174.6-175.20000112.8L444L444-S447 PolarHBondContact O-N 2.91Å
448T41Very low41.8Very low86 Ų8693.5 Ų93.553%0.52851%0.509SS..SBendtrans-94.5-12.2-179.143.70000113.3L444 K450L444-T448 PolarHBondContact O-OG1 2.85Å; T448-K450 VanDerWaalsContact C-N 3.32Å; T448-K450 PolarHBondContact O-N 3.42Å
449D38Very low40.9Very low77 Ų7795.7 Ų95.741%0.41252%0.522SS..  trans-81.368.5177.1-92.5-27.1000113.5K451 I452D449-K451 PolarHBondContact O-N 2.95Å; D449-I452 HydrophobicContact CB-CD1 3.91Å; D449-I452 HydrophobicContact CB-CG1 4.06Å; D449-I452 PolarHBondContact O-N 2.93Å; D449-I452 VanDerWaalsContact OD2-CD1 3.26Å; D449-I452 WeakPolarHBondContact OD2-CD1 3.35Å
450K38.9Very low40.2Very low199 Ų199101.8 Ų101.887%0.86555%0.545SS*.THydrogen-bonded Turntrans-62.60.3162.2-79.8-175.9177.3176.20113.5T448T448-K450 VanDerWaalsContact C-N 3.32Å; T448-K450 PolarHBondContact O-N 3.42Å
451K33.2Very low39.3Very low166 Ų166107.1 Ų107.172%0.72257%0.572SS**THydrogen-bonded Turntrans-99.8-8.8179.4-81.9-177.2176175.60115.6D449 S454D449-K451 PolarHBondContact O-N 2.95Å; K451-S454 PolarHBondContact O-OG 3.44Å
452I34.8Very low38.4Very low102 Ų102106.6 Ų106.652%0.52358%0.58SS.*THydrogen-bonded Turntrans-88.6-25.1-179.2-64178.9000112.3D449D449-I452 HydrophobicContact CB-CD1 3.91Å; D449-I452 HydrophobicContact CB-CG1 4.06Å; D449-I452 PolarHBondContact O-N 2.93Å; D449-I452 VanDerWaalsContact OD2-CD1 3.26Å; D449-I452 WeakPolarHBondContact OD2-CD1 3.35Å
453F33.4Very low37.6Very low147 Ų147110.9 Ų110.965%0.64560%0.604SS**THydrogen-bonded Turntrans-79.3-15.1176.3-92.8-88.6000114.8
454S32.7Very low36.9Very low68 Ų68114.4 Ų114.448%0.47662%0.622SS.*THydrogen-bonded Turntrans-81.7-22.6176.759.50000113.8K451K451-S454 PolarHBondContact O-OG 3.44Å
455N30.7Very low36Very low122 Ų122118.9 Ų118.965%0.65265%0.651SS**THydrogen-bonded Turntrans-102.5-8.9-169.2-72-3.6000115
456S32Very low35.1Very low97 Ų97122.5 Ų122.568%0.67867%0.671SS**SBendtrans-108.3-9.5176.9-60.50000114.3
457A33.4Very low34.6Very low74 Ų74125.7 Ų125.761%0.61268%0.684SS**SBendtrans-90.5-12.5170.700000113.1
458S34Very low34.2Very low90 Ų90126.8 Ų126.863%0.62969%0.687SS**THydrogen-bonded Turntrans-85.8-7.6-175.4-156.30000114.2
459T32.9Very low33.7Very low109 Ų109130.7 Ų130.767%0.66970%0.704SS**THydrogen-bonded Turntrans-110.69.8-174.439.40000114.9
460K35.3Very low33.2Very low197 Ų197131.2 Ų131.286%0.85771%0.713SS**SBendtrans-13712.6171.7-76.1-169.2176.9179.40115
461L31.4Very low32.9Very low128 Ų128128.2 Ų128.267%0.6771%0.707SS**  trans-126.437.2-179.9-147.878.2000111.7
462S33.3Very low32.7Very low96 Ų96127.1 Ų127.167%0.67171%0.709SS**SBendtrans-97.1-0175.6570000113.9
463D35Very low32.6Very low151 Ų151129.7 Ų129.781%0.80772%0.724SS**SBendtrans-110.62.6-174-71.8-16.5000114.5
464I35Very low32.3Very low136 Ų136131.4 Ų131.470%0.69774%0.739SS**SBendtrans-14673.8-175.1-47175.6000110.2
465T32.3Very low32.2Very low135 Ų135134.2 Ų134.283%0.82875%0.748SS**  trans-175.580.7153.2270000109.4
466D30.8Very low32.1Very low163 Ų163134.8 Ų134.887%0.87276%0.756SS**  trans-110.3126.9153.6-105.1-24.7000107.1
467K36.7Very low32Very low194 Ų194136.8 Ų136.884%0.84376%0.758SS**SBendtrans107.1119.2173.7-61.5172.6-180174.20115.8
468T33.5Very low31.9Very low125 Ų125139.5 Ų139.577%0.76775%0.754SS**  trans93.989.8152.957.90000119.9
469L30.3Very low31.7Very low169 Ų169140.6 Ų140.689%0.88576%0.759SS**  85.8147.2122.3-89.4118000121.3
470S28.1Very low31.6Very low87 Ų87141.6 Ų141.661%0.60876%0.76SS**  trans-109.1157.2-149.550.10000113.9
471N31.3Very low31.5Very low137 Ų137139.6 Ų139.673%0.73375%0.753SS**  trans92.1104.1151-65-9.4000119.8
472N29.1Very low31.6Very low143 Ų143143.5 Ų143.577%0.76576%0.759SS**  50.1102.1123.8-59.2-13000118.9
473N32.7Very low31.4Very low156 Ų156147.4 Ų147.483%0.83477%0.771SS**  trans-151.3123.5140.3-88.1-30.4000108.9D475N473-D475 PolarHBondContact O-N 3.44Å; N473-D475 VanDerWaalsContact O-N 3.17Å
474L27.6Very low31.4Very low183 Ų183143.9 Ų143.996%0.95876%0.758SS**  trans-81.483.8175.7-115.9122.8000107.9
475D30.4Very low31.6Very low126 Ų126142.2 Ų142.267%0.67476%0.759SS**  trans-89.2122.7166.8-84.4-33.9000109.4N473 L477N473-D475 PolarHBondContact O-N 3.44Å; N473-D475 VanDerWaalsContact O-N 3.17Å; D475-L477 HydrophobicContact CB-CD1 4.2Å; D475-L477 HydrophobicContact CB-CG 4.43Å; D475-L477 PolarHBondContact O-N 3Å
476V29.5Very low32.2Very low135 Ų135141.2 Ų141.282%0.81875%0.749SS**  trans-69.980167.6-179.90000107.3Y478V476-Y478 PolarHBondContact O-N 3.49Å
477L28.4Very low32.7Very low138 Ų138135 Ų13572%0.72372%0.723SS**  trans-77.3109.6174.1-92.9144.2000109.1D475D475-L477 HydrophobicContact CB-CD1 4.2Å; D475-L477 HydrophobicContact CB-CG 4.43Å; D475-L477 PolarHBondContact O-N 3Å
478Y32Very low32.8Very low132 Ų132130.8 Ų130.852%0.51871%0.71SS.*  trans-57.4135150.6-82.1-92.7000107.8R392 V476 D480R392-Y478 PolarHBondContact NH1-OH 3.01Å; V476-Y478 PolarHBondContact O-N 3.49Å; Y478-D480 PolarHBondContact O-N 2.99Å
479P30.8Very low33.4Very low113 Ų113131.1 Ų131.173%0.73471%0.706SS**  trans-62.3110.4177.9-15.127.8000109H481P479-H481 PolarHBondContact O-N 3.25Å
480D31.1Very low34.3Very low129 Ų129127 Ų12769%0.6968%0.682SS**  trans-62.1116.5174.6-150.67.1000107.9Y478 R482Y478-D480 PolarHBondContact O-N 2.99Å; D480-R482 PolarHBondContact O-N 3.19Å
481H32.3Very low35.3Very low155 Ų155125.5 Ų125.572%0.71867%0.666SS**  trans-72.371.2179.1-91.1-83.5000110.4P479P479-H481 PolarHBondContact O-N 3.25Å
482R34Very low36.4Very low210 Ų210123.6 Ų123.679%0.79266%0.655SS**  trans-106.8114.4156.9-69.7-169.5-167.1-142.12.6108.2D480 S484D480-R482 PolarHBondContact O-N 3.19Å; R482-S484 PolarHBondContact O-N 3.3Å
483L29.5Very low37.6Very low178 Ų178119 Ų11993%0.93264%0.636SS**  trans-50.799.6177.2-77.995000110.9
484S33.4Very low38.4Very low77 Ų77118.2 Ų118.254%0.53862%0.621SS.*  trans-90.1134.5160.1154.70000107.6R482 N486 G487R482-S484 PolarHBondContact O-N 3.3Å; S484-N486 PolarHBondContact O-N 3.24Å; S484-G487 PolarHBondContact O-N 2.96Å
485S39.4Very low39.8Very low102 Ų102112.9 Ų112.971%0.71360%0.596SS**THydrogen-bonded Turntrans-53.7-8.4-176.753.20000115.7
486N44.6Very low41.3Very low114 Ų114111.3 Ų111.361%0.6159%0.588SS**Hα-helixtrans-83-22.4-178.6-66.2-9.9000113.8S484 N488 L489 E490S484-N486 PolarHBondContact O-N 3.24Å; N486-N488 PolarHBondContact O-N 3.36Å; N486-L489 PolarHBondContact O-N 2.94Å; N486-E490 PolarHBondContact O-N 3.27Å
487G41.2Very low43Very low32 Ų32109.5 Ų109.533%0.3357%0.573SS.*Hα-helixtrans-64.7-36.3-179.500000113.5S484 E490 Q491S484-G487 PolarHBondContact O-N 2.96Å; G487-E490 PolarHBondContact O-N 2.63Å; G487-Q491 WeakPolarHBondContact O-CG 3.07Å; G487-Q491 PolarHBondContact O-N 3.14Å; G487-Q491 VanDerWaalsContact O-N 3.09Å
488N40Very low44.2Very low105 Ų105108.7 Ų108.756%0.56156%0.56SS**Hα-helixtrans-67.1-37.4177.6-78.6-6.7000112.3N486 E490 Q491 I492N486-N488 PolarHBondContact O-N 3.36Å; N488-E490 VanDerWaalsContact C-N 3.35Å; N488-Q491 PolarHBondContact O-N 2.8Å; N488-I492 WeakPolarHBondContact O-CB 3.33Å; N488-I492 WeakPolarHBondContact O-CD1 3.34Å; N488-I492 WeakPolarHBondContact O-CG1 3.27Å; N488-I492 PolarHBondContact O-N 2.89Å
489L46.6Very low45.8Very low132 Ų132106.3 Ų106.369%0.69156%0.556SS**Hα-helixtrans-67-39.9179-125.284.6000111.3N486 I492 A493N486-L489 PolarHBondContact O-N 2.94Å; L489-I492 PolarHBondContact O-N 3.25Å; L489-A493 WeakPolarHBondContact O-CB 3.18Å; L489-A493 PolarHBondContact O-N 3.13Å
490E49.3Very low47.4Very low84 Ų84105.7 Ų105.739%0.39354%0.543SS..Hα-helixtrans-67.8-39.3179.2-145.4-168.2141.100111.4N486 G487 N488 A493 R494N486-E490 PolarHBondContact O-N 3.27Å; G487-E490 PolarHBondContact O-N 2.63Å; N488-E490 VanDerWaalsContact C-N 3.35Å; E490-A493 PolarHBondContact O-N 3.35Å; E490-R494 WeakPolarHBondContact O-CG 3.3Å; E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 IonicContact OE1-CZ 3.41Å; E490-R494 IonicContact OE1-NE 3.01Å; E490-R494 IonicContact OE1-NH2 3.45Å; E490-R494 PolarHBondContact OE1-NH2 3.07Å
491Q48.4Very low48.9Very low55 Ų55101.1 Ų101.126%0.25752%0.52SS..Hα-helixtrans-67.2-44.9173.9-71.4-174.838.200112.3G487 N488 A493 R494 V495G487-Q491 WeakPolarHBondContact O-CG 3.07Å; G487-Q491 PolarHBondContact O-N 3.14Å; G487-Q491 VanDerWaalsContact O-N 3.09Å; N488-Q491 PolarHBondContact O-N 2.8Å; Q491-A493 VanDerWaalsContact C-N 3.26Å; Q491-A493 PolarHBondContact O-N 3.48Å; Q491-R494 PolarHBondContact O-N 3.25Å; Q491-R494 VanDerWaalsContact O-N 3.13Å; Q491-V495 WeakPolarHBondContact O-CG2 3.38Å; Q491-V495 PolarHBondContact O-N 3.3Å
492I53.5Low50.3Low97 Ų9795.7 Ų95.750%0.49750%0.502SS..Hα-helixtrans-59.1-40.8174.5-70164.6000110.3N488 L489 V495 N496N488-I492 WeakPolarHBondContact O-CB 3.33Å; N488-I492 WeakPolarHBondContact O-CD1 3.34Å; N488-I492 WeakPolarHBondContact O-CG1 3.27Å; N488-I492 PolarHBondContact O-N 2.89Å; L489-I492 PolarHBondContact O-N 3.25Å; I492-V495 PolarHBondContact O-N 3.08Å; I492-N496 VanDerWaalsContact O-CB 3.3Å; I492-N496 WeakPolarHBondContact O-CB 3.45Å; I492-N496 PolarHBondContact O-N 3.42Å; I492-N496 PolarHBondContact O-ND2 3.08Å
493A53.9Low51.9Low45 Ų4592.3 Ų92.337%0.37249%0.489SS..Hα-helixtrans-62.8-45.2175.100000111.7L489 E490 Q491 V495 N496 I497L489-A493 WeakPolarHBondContact O-CB 3.18Å; L489-A493 PolarHBondContact O-N 3.13Å; E490-A493 PolarHBondContact O-N 3.35Å; Q491-A493 VanDerWaalsContact C-N 3.26Å; Q491-A493 PolarHBondContact O-N 3.48Å; A493-V495 PolarHBondContact O-N 3.22Å; A493-N496 PolarHBondContact O-N 3.04Å; A493-I497 WeakPolarHBondContact O-CB 3.37Å; A493-I497 WeakPolarHBondContact O-CD1 3.46Å; A493-I497 WeakPolarHBondContact O-CG1 3.32Å; A493-I497 PolarHBondContact O-N 3.44Å
494R50.7Low53.9Low140 Ų14087.2 Ų87.253%0.52847%0.466SS..Hα-helixtrans-61.2-44.5176-73.2179.8-160.7-167.87.1111.9E490 Q491 R498E490-R494 WeakPolarHBondContact O-CG 3.3Å; E490-R494 PolarHBondContact O-N 2.97Å; E490-R494 IonicContact OE1-CZ 3.41Å; E490-R494 IonicContact OE1-NE 3.01Å; E490-R494 IonicContact OE1-NH2 3.45Å; E490-R494 PolarHBondContact OE1-NH2 3.07Å; Q491-R494 PolarHBondContact O-N 3.25Å; Q491-R494 VanDerWaalsContact O-N 3.13Å; R494-R498 WeakPolarHBondContact O-CB 3.01Å; R494-R498 VanDerWaalsContact O-CG 3.22Å; R494-R498 WeakPolarHBondContact O-CG 3.32Å; R494-R498 PolarHBondContact O-N 2.94Å
495V57.1Low55.4Low71 Ų7184.7 Ų84.743%0.4345%0.446SS..Hα-helixtrans-65.1-45.3177.6174.30000111Q491 I492 A493 I497 R498 L499Q491-V495 WeakPolarHBondContact O-CG2 3.38Å; Q491-V495 PolarHBondContact O-N 3.3Å; I492-V495 PolarHBondContact O-N 3.08Å; A493-V495 PolarHBondContact O-N 3.22Å; V495-I497 PolarHBondContact O-N 2.88Å; V495-R498 WeakPolarHBondContact O-CB 3.37Å; V495-R498 PolarHBondContact O-N 3.25Å; V495-L499 HydrophobicContact CG1-CD1 4.43Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 PolarHBondContact O-N 3.03Å
496N60.6Low56.9Low93 Ų9383.4 Ų83.450%0.49743%0.434SS..Hα-helixtrans-63.3-41.8178.3-81.2-25.9000112.4I492 A493 R498 L499 E500I492-N496 VanDerWaalsContact O-CB 3.3Å; I492-N496 WeakPolarHBondContact O-CB 3.45Å; I492-N496 PolarHBondContact O-N 3.42Å; I492-N496 PolarHBondContact O-ND2 3.08Å; A493-N496 PolarHBondContact O-N 3.04Å; N496-R498 VanDerWaalsContact C-N 3.31Å; N496-R498 PolarHBondContact O-N 3.16Å; N496-L499 PolarHBondContact O-N 3.35Å; N496-E500 WeakPolarHBondContact O-CB 3.22Å; N496-E500 PolarHBondContact O-N 3.05Å
497I65.9Low58.2Low98 Ų9882.1 Ų82.150%0.50343%0.427SS..Hα-helixtrans-62.1-41.5175.1-69.8165.4000110.5A493 V495 E500 T501A493-I497 WeakPolarHBondContact O-CB 3.37Å; A493-I497 WeakPolarHBondContact O-CD1 3.46Å; A493-I497 WeakPolarHBondContact O-CG1 3.32Å; A493-I497 PolarHBondContact O-N 3.44Å; V495-I497 PolarHBondContact O-N 2.88Å; I497-E500 PolarHBondContact O-N 2.91Å; I497-T501 WeakPolarHBondContact O-CB 3.4Å; I497-T501 PolarHBondContact O-N 3.03Å; I497-T501 PolarHBondContact O-OG1 3.39Å
498R54.9Low59.6Low121 Ų12184.8 Ų84.846%0.45743%0.433SS..Hα-helixtrans-62.3-44.5175.3-74.1171175-175.1-2.6111.6R494 V495 N496 E500 T501 A502R494-R498 WeakPolarHBondContact O-CB 3.01Å; R494-R498 VanDerWaalsContact O-CG 3.22Å; R494-R498 WeakPolarHBondContact O-CG 3.32Å; R494-R498 PolarHBondContact O-N 2.94Å; V495-R498 WeakPolarHBondContact O-CB 3.37Å; V495-R498 PolarHBondContact O-N 3.25Å; N496-R498 VanDerWaalsContact C-N 3.31Å; N496-R498 PolarHBondContact O-N 3.16Å; R498-E500 PolarHBondContact O-N 3.45Å; R498-T501 PolarHBondContact O-N 3.11Å; R498-A502 WeakPolarHBondContact O-CB 3.47Å; R498-A502 PolarHBondContact O-N 3.45Å
499L65.5Low61.1Low82 Ų8285 Ų8543%0.42943%0.434SS..Hα-helixtrans-63-41.7179.5-124.1151.6000111.9V495 N496 A502 R503V495-L499 HydrophobicContact CG1-CD1 4.43Å; V495-L499 WeakPolarHBondContact O-CB 3.38Å; V495-L499 PolarHBondContact O-N 3.03Å; N496-L499 PolarHBondContact O-N 3.35Å; L499-A502 PolarHBondContact O-N 2.8Å; L499-R503 WeakPolarHBondContact O-CG 3.49Å; L499-R503 PolarHBondContact O-N 3Å
500E64.2Low62.4Low100 Ų10084 Ų8447%0.46743%0.426SS..Hα-helixtrans-72.7-34.8179.9-15459.9-15900112.2N496 I497 R498 R503 T504N496-E500 WeakPolarHBondContact O-CB 3.22Å; N496-E500 PolarHBondContact O-N 3.05Å; I497-E500 PolarHBondContact O-N 2.91Å; R498-E500 PolarHBondContact O-N 3.45Å; E500-R503 PolarHBondContact O-N 2.89Å; E500-R503 IonicContact OE2-CZ 3.61Å; E500-R503 IonicContact OE2-NH1 3.6Å; E500-R503 PolarHBondContact OE2-NH1 2.9Å; E500-T504 PolarHBondContact O-N 3.23Å; E500-T504 PolarHBondContact O-OG1 3.39Å
501T61.7Low63.6Low32 Ų3286.5 Ų86.520%0.19644%0.438CS..Hα-helixtrans-64.1-45.4172.8-53.70000110.7I442 I497 R498 T504 L505I442-T501 HydrophobicContact CD1-CG2 4.43Å; I442-T501 HydrophobicContact CG2-CG2 3.8Å; I497-T501 WeakPolarHBondContact O-CB 3.4Å; I497-T501 PolarHBondContact O-N 3.03Å; I497-T501 PolarHBondContact O-OG1 3.39Å; R498-T501 PolarHBondContact O-N 3.11Å; T501-T504 PolarHBondContact O-N 3.28Å; T501-L505 HydrophobicContact CG2-CD1 4.28Å; T501-L505 PolarHBondContact O-N 3.14Å; T501-L505 VanDerWaalsContact O-N 3.1Å
502A62.8Low64.7Low42 Ų4289.9 Ų89.935%0.34745%0.453SS..Hα-helixtrans-62.3-42.7176.500000112.3R498 L499 T504 L505 V506R498-A502 WeakPolarHBondContact O-CB 3.47Å; R498-A502 PolarHBondContact O-N 3.45Å; L499-A502 PolarHBondContact O-N 2.8Å; A502-T504 VanDerWaalsContact C-N 3.34Å; A502-T504 PolarHBondContact O-N 2.91Å; A502-L505 PolarHBondContact O-N 2.84Å; A502-V506 WeakPolarHBondContact O-CG2 3.45Å; A502-V506 PolarHBondContact O-N 2.66Å
503R67.1Low65.4Low138 Ų13890.5 Ų90.552%0.52146%0.457SS..Hα-helixtrans-58.6-44174.5-78.9174176167.2-3112.4L499 E500 L505 V506 N507L499-R503 WeakPolarHBondContact O-CG 3.49Å; L499-R503 PolarHBondContact O-N 3Å; E500-R503 PolarHBondContact O-N 2.89Å; E500-R503 IonicContact OE2-CZ 3.61Å; E500-R503 IonicContact OE2-NH1 3.6Å; E500-R503 PolarHBondContact OE2-NH1 2.9Å; R503-L505 VanDerWaalsContact C-N 3.33Å; R503-L505 PolarHBondContact O-N 3.36Å; R503-V506 PolarHBondContact O-N 3.34Å; R503-N507 WeakPolarHBondContact O-CB 3.46Å; R503-N507 VanDerWaalsContact O-CG 3.24Å; R503-N507 PolarHBondContact O-N 3.4Å; R503-N507 PolarHBondContact O-ND2 3.23Å
504T70.5Confident66.3Low72 Ų7291.7 Ų91.744%0.44246%0.463SS..Hα-helixtrans-62.7-42179.4-53.30000111.3E500 T501 A502 N507 N508E500-T504 PolarHBondContact O-N 3.23Å; E500-T504 PolarHBondContact O-OG1 3.39Å; T501-T504 PolarHBondContact O-N 3.28Å; A502-T504 VanDerWaalsContact C-N 3.34Å; A502-T504 PolarHBondContact O-N 2.91Å; T504-N507 PolarHBondContact O-N 3.31Å; T504-N508 VanDerWaalsContact O-CG 3.27Å; T504-N508 PolarHBondContact O-N 3.01Å
505L66Low67.4Low23 Ų2388.2 Ų88.212%0.1246%0.46CS..Hα-helixtrans-64.4-45.2176.5-98.4143.6000113.2P438 L439 I442 T501 A502 R503 N507 N508 L509P438-L505 HydrophobicContact CB-CD2 4.08Å; P438-L505 HydrophobicContact CG-CD2 3.75Å; L439-L505 HydrophobicContact CD2-CD1 3.71Å; L439-L505 HydrophobicContact CG-CD1 3.62Å; I442-L505 HydrophobicContact CD1-CD1 4.25Å; T501-L505 HydrophobicContact CG2-CD1 4.28Å; T501-L505 PolarHBondContact O-N 3.14Å; T501-L505 VanDerWaalsContact O-N 3.1Å; A502-L505 PolarHBondContact O-N 2.84Å; R503-L505 VanDerWaalsContact C-N 3.33Å; R503-L505 PolarHBondContact O-N 3.36Å; L505-N507 VanDerWaalsContact C-N 3.33Å; L505-N507 PolarHBondContact O-N 3.28Å; L505-N508 PolarHBondContact O-N 3.41Å; L505-L509 WeakPolarHBondContact O-CG 3.24Å; L505-L509 PolarHBondContact O-N 3.17Å
506V70.3Confident67.9Low75 Ų7590 Ų9046%0.45547%0.466SS..Hα-helixtrans-60.1-46.1176.2172.20000110.3A502 R503 N508 L509 E510A502-V506 WeakPolarHBondContact O-CG2 3.45Å; A502-V506 PolarHBondContact O-N 2.66Å; R503-V506 PolarHBondContact O-N 3.34Å; V506-N508 VanDerWaalsContact C-N 3.31Å; V506-N508 PolarHBondContact O-N 3.21Å; V506-L509 PolarHBondContact O-N 3.14Å; V506-E510 HydrophobicContact CG1-CG 4.38Å; V506-E510 WeakPolarHBondContact O-CG 3.5Å; V506-E510 PolarHBondContact O-N 2.96Å
507N71.7Confident68.1Low87 Ų8790.4 Ų90.447%0.46547%0.468SS..Hα-helixtrans-60.1-39.6177.3-70.7-20.6000112.5R503 T504 L505 E510 Q511R503-N507 WeakPolarHBondContact O-CB 3.46Å; R503-N507 VanDerWaalsContact O-CG 3.24Å; R503-N507 PolarHBondContact O-N 3.4Å; R503-N507 PolarHBondContact O-ND2 3.23Å; T504-N507 PolarHBondContact O-N 3.31Å; L505-N507 VanDerWaalsContact C-N 3.33Å; L505-N507 PolarHBondContact O-N 3.28Å; N507-E510 PolarHBondContact O-N 2.83Å; N507-Q511 WeakPolarHBondContact O-CG 3.5Å; N507-Q511 PolarHBondContact O-N 2.99Å; N507-Q511 VanDerWaalsContact O-N 3.08Å
508N71.9Confident67.7Low88 Ų8894 Ų9447%0.47148%0.48SS..Hα-helixtrans-68-42.2177.7-71-12.2000111.9T504 L505 V506 Q511 E512T504-N508 VanDerWaalsContact O-CG 3.27Å; T504-N508 PolarHBondContact O-N 3.01Å; L505-N508 PolarHBondContact O-N 3.41Å; V506-N508 VanDerWaalsContact C-N 3.31Å; V506-N508 PolarHBondContact O-N 3.21Å; N508-Q511 PolarHBondContact O-N 3.08Å; N508-E512 PolarHBondContact O-N 3.44Å
509L71.4Confident67.7Low110 Ų11092.3 Ų92.358%0.57648%0.483SS*.Hα-helixtrans-64.9-38.8175.7-73.5170.2000111.9L505 V506 Q511 E512 L513L505-L509 WeakPolarHBondContact O-CG 3.24Å; L505-L509 PolarHBondContact O-N 3.17Å; V506-L509 PolarHBondContact O-N 3.14Å; L509-Q511 VanDerWaalsContact C-N 3.31Å; L509-Q511 PolarHBondContact O-N 2.63Å; L509-E512 PolarHBondContact O-N 2.93Å; L509-L513 VanDerWaalsContact O-CB 3.31Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 PolarHBondContact O-N 3.02Å
510E72.9Confident66.7Low112 Ų11297.3 Ų97.352%0.52350%0.497SS..Hα-helixtrans-62.6-37.9174.1-75.5-178.2171.400111.7V506 N507 S514V506-E510 HydrophobicContact CG1-CG 4.38Å; V506-E510 WeakPolarHBondContact O-CG 3.5Å; V506-E510 PolarHBondContact O-N 2.96Å; N507-E510 PolarHBondContact O-N 2.83Å; E510-S514 VanDerWaalsContact O-CB 3.27Å; E510-S514 WeakPolarHBondContact O-CB 3.37Å; E510-S514 PolarHBondContact O-N 3.16Å; E510-S514 PolarHBondContact O-OG 3.38Å
511Q74.7Confident65.9Low136 Ų13699.1 Ų99.164%0.63651%0.51SS*.Hα-helixtrans-67.5-44.3174.4-73.6179.217.300112.3N507 N508 L509 S514 S515N507-Q511 WeakPolarHBondContact O-CG 3.5Å; N507-Q511 PolarHBondContact O-N 2.99Å; N507-Q511 VanDerWaalsContact O-N 3.08Å; N508-Q511 PolarHBondContact O-N 3.08Å; L509-Q511 VanDerWaalsContact C-N 3.31Å; L509-Q511 PolarHBondContact O-N 2.63Å; Q511-S514 PolarHBondContact O-N 3.48Å; Q511-S515 PolarHBondContact O-N 2.92Å
512E71Confident65.2Low126 Ų126101.9 Ų101.959%0.58953%0.53SS*.Hα-helixtrans-63.9-45.2176.4-75.6-155.7167.100111.9N508 L509 S514 S515 L516N508-E512 PolarHBondContact O-N 3.44Å; L509-E512 PolarHBondContact O-N 2.93Å; E512-S514 VanDerWaalsContact C-N 3.3Å; E512-S514 PolarHBondContact O-N 3.34Å; E512-S515 PolarHBondContact O-N 2.91Å; E512-S515 VanDerWaalsContact O-N 3.12Å; E512-S515 PolarHBondContact O-OG 3.29Å; E512-L516 WeakPolarHBondContact O-CG 3.32Å; E512-L516 PolarHBondContact O-N 2.83Å
513L68.3Low64.3Low110 Ų110107.6 Ų107.658%0.57655%0.549SS*.Hα-helixtrans-60.9-41.4176.9-16479.3000111L509 S515 L516 L517L509-L513 VanDerWaalsContact O-CB 3.31Å; L509-L513 WeakPolarHBondContact O-CB 3.41Å; L509-L513 PolarHBondContact O-N 3.02Å; L513-S515 VanDerWaalsContact C-N 3.33Å; L513-S515 PolarHBondContact O-N 2.87Å; L513-L516 PolarHBondContact O-N 3.12Å; L513-L517 HydrophobicContact CG-CD1 4.3Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.49Å; L513-L517 PolarHBondContact O-N 2.89Å
514S73Confident63.1Low70 Ų70108.7 Ų108.749%0.4956%0.562SS.*Hα-helixtrans-62.4-38.9175.3-61.40000112.1E510 Q511 E512 F518E510-S514 VanDerWaalsContact O-CB 3.27Å; E510-S514 WeakPolarHBondContact O-CB 3.37Å; E510-S514 PolarHBondContact O-N 3.16Å; E510-S514 PolarHBondContact O-OG 3.38Å; Q511-S514 PolarHBondContact O-N 3.48Å; E512-S514 VanDerWaalsContact C-N 3.3Å; E512-S514 PolarHBondContact O-N 3.34Å; S514-F518 PolarHBondContact O-N 3.25Å; S514-F518 VanDerWaalsContact O-N 3.16Å
515S73.6Confident61.5Low67 Ų67112.9 Ų112.947%0.46958%0.582SS.*Hα-helixtrans-67.7-36.8177.180.50000113.1Q511 E512 L513 F518 T519Q511-S515 PolarHBondContact O-N 2.92Å; E512-S515 PolarHBondContact O-N 2.91Å; E512-S515 VanDerWaalsContact O-N 3.12Å; E512-S515 PolarHBondContact O-OG 3.29Å; L513-S515 VanDerWaalsContact C-N 3.33Å; L513-S515 PolarHBondContact O-N 2.87Å; S515-F518 PolarHBondContact O-N 3.45Å; S515-T519 PolarHBondContact O-N 2.93Å; S515-T519 PolarHBondContact O-OG1 3.31Å
516L67.4Low59.9Low108 Ų108117.7 Ų117.757%0.56562%0.616SS**Hα-helixtrans-72.9-34.2177.8-73.4171.4000112.4E512 L513 T519 R520E512-L516 WeakPolarHBondContact O-CG 3.32Å; E512-L516 PolarHBondContact O-N 2.83Å; L513-L516 PolarHBondContact O-N 3.12Å; L516-T519 WeakPolarHBondContact CA-OG1 3.18Å; L516-T519 PolarHBondContact O-OG1 3.19Å; L516-T519 VanDerWaalsContact O-OG1 3.13Å; L516-R520 PolarHBondContact O-N 3.05Å
517L64.4Low58Low102 Ų102121.8 Ų121.853%0.53464%0.635SS.*Hα-helixtrans-68.6-38.8174.1-70.3169.9000111.2L513 T519 R520 D521L513-L517 HydrophobicContact CG-CD1 4.3Å; L513-L517 VanDerWaalsContact O-CG 3.29Å; L513-L517 WeakPolarHBondContact O-CG 3.49Å; L513-L517 PolarHBondContact O-N 2.89Å; L517-T519 PolarHBondContact O-N 3.06Å; L517-R520 PolarHBondContact O-N 3.17Å; L517-D521 PolarHBondContact O-N 3.11Å
518F58.4Low56.3Low173 Ų173122.6 Ų122.676%0.75965%0.648SS**Hα-helixtrans-67-31.3176.8-114.3-85.2000114.3S514 S515 S522S514-F518 PolarHBondContact O-N 3.25Å; S514-F518 VanDerWaalsContact O-N 3.16Å; S515-F518 PolarHBondContact O-N 3.45Å; F518-S522 PolarHBondContact O-OG 3.06Å; F518-S522 VanDerWaalsContact O-OG 3.05Å
519T54.4Low54.7Low85 Ų85127.9 Ų127.952%0.52167%0.67SS.*Hα-helixtrans-77.5-21.5176.328.70000112.9S515 L516 L517 S522S515-T519 PolarHBondContact O-N 2.93Å; S515-T519 PolarHBondContact O-OG1 3.31Å; L516-T519 WeakPolarHBondContact CA-OG1 3.18Å; L516-T519 PolarHBondContact O-OG1 3.19Å; L516-T519 VanDerWaalsContact O-OG1 3.13Å; L517-T519 PolarHBondContact O-N 3.06Å; T519-S522 PolarHBondContact O-OG 3.31Å
520R45.4Very low52.9Low187 Ų187132.5 Ų132.571%0.70669%0.685SS**Hα-helixtrans-85.2-29.8-179.8-166.3169.6149.4133.4-3.1113.1L516 L517 S522L516-R520 PolarHBondContact O-N 3.05Å; L517-R520 PolarHBondContact O-N 3.17Å; R520-S522 VanDerWaalsContact C-N 3.35Å
521D47.1Very low51.1Low139 Ų139132 Ų13274%0.74369%0.694SS**Hα-helixtrans-76.2-20.7174.9-76.1-22.7000113.4L517L517-D521 PolarHBondContact O-N 3.11Å
522S46.5Very low49.2Very low89 Ų89132.9 Ų132.962%0.62270%0.703SS**THydrogen-bonded Turntrans-83.7-9.6176.7380000114.3F518 T519 R520F518-S522 PolarHBondContact O-OG 3.06Å; F518-S522 VanDerWaalsContact O-OG 3.05Å; T519-S522 PolarHBondContact O-OG 3.31Å; R520-S522 VanDerWaalsContact C-N 3.35Å
523H44.9Very low47.6Very low163 Ų163135.3 Ų135.376%0.75572%0.718SS**THydrogen-bonded Turntrans-106.56.8-175.9-123.5-75.6000115
524M40.8Very low46.1Very low160 Ų160134.5 Ų134.579%0.78872%0.722SS**SBendtrans-97.423179.4-76.8-73.5137.600113.9
525N37.9Very low44.1Very low160 Ų160138 Ų13886%0.85674%0.736SS**  trans-14064.1-180-146.614.6000112.3
526C31.6Very low42.3Very low124 Ų124142.9 Ų142.984%0.83876%0.756SS**  trans-161.775.5161.4-1650000110.6
527D30.9Very low40.6Very low161 Ų161146.4 Ų146.486%0.86177%0.769SS**  trans-84.9122.5158.5-91.9-36.1000108
528S35.4Very low39.1Very low105 Ų105150 Ų15073%0.73478%0.783SS**  trans146.595.9147.9-66.80000111.4
529Q38.7Very low37.9Very low199 Ų199148.6 Ų148.693%0.9378%0.784SS**  177.9122.7122.6-95.5169.75.800112.1
530K32.8Very low36.7Very low207 Ų207152.7 Ų152.790%0.980%0.803SS**  trans-66.7143.7170.9-65.9169.5173.3175.50110.7
531S36.6Very low36Very low102 Ų102152.6 Ų152.671%0.71381%0.81SS**  169.4121.9111.158.60000113.1
532N33.1Very low35.2Very low154 Ų154150.8 Ų150.882%0.82481%0.809SS**  trans39121.2134.5-56.3-15.8000119.8
533I37.4Very low34.4Very low176 Ų176153.1 Ų153.190%0.90382%0.819SS**  -158.1146.2118.8-90.6144.4000109.1
534S37.9Very low33.6Very low93 Ų93156.7 Ų156.765%0.6583%0.827SS**  trans-88.1152.3-154.345.90000117.1
535N31.6Very low33Very low145 Ų145154.1 Ų154.178%0.77583%0.825SS**  trans47.8114.2137-60.7-10000120
536N34.5Very low32.7Very low169 Ų169155 Ų15590%0.90482%0.821SS**  -147.6119.3123.2-96.1-22.5000110.6
537H32.1Very low32.4Very low181 Ų181154.7 Ų154.784%0.83882%0.818SS**  trans-70.3132.3165.6-93.2-66.8000109.5
538Q33.1Very low32.4Very low177 Ų177151.8 Ų151.883%0.82781%0.81SS**  trans-165.3111.6146.2-110.3158.3-11.100111.2
539D33.7Very low32.5Very low144 Ų144151.3 Ų151.377%0.7780%0.799SS**  trans61.590.4143.4-55.7-26.3000120.9Q541D539-Q541 PolarHBondContact O-N 2.96Å; D539-Q541 VanDerWaalsContact O-N 3.16Å
540D29.1Very low32.1Very low172 Ų172151 Ų15192%0.9279%0.791SS**  trans-70.883.9156.5-84.4-39.1000111.3
541Q30.4Very low32.4Very low184 Ų184146.1 Ų146.186%0.8677%0.767SS**  trans-150.479.5161-71.8-166.8600111.5D539D539-Q541 PolarHBondContact O-N 2.96Å; D539-Q541 VanDerWaalsContact O-N 3.16Å
542S29.5Very low32.2Very low102 Ų102143.6 Ų143.671%0.71375%0.748SS**  trans-165.966.2159.653.80000113.1
543V30Very low32.2Very low138 Ų138143 Ų14384%0.83675%0.745SS**  trans-107.258.1169.1-171.10000109.4
544Y29.2Very low32.3Very low237 Ų237135.4 Ų135.493%0.92971%0.707SS**  trans-152.258.7166.4-81.6-72.9000109.7
545S28Very low32.2Very low106 Ų106134.6 Ų134.674%0.74170%0.702SS**  trans-88.7108.2172.4-53.30000109
546K30.2Very low32.6Very low178 Ų178131.1 Ų131.177%0.77468%0.683SS**  trans-28.2123167.8-165.8177.8-172.21790111.8S548K546-S548 PolarHBondContact O-N 3.15Å
547P27Very low33.1Very low119 Ų119124.8 Ų124.877%0.77365%0.648SS**  trans-64.4110.3166.1-5.720.2000106.2L549P547-L549 PolarHBondContact O-N 3.48Å; P547-L549 VanDerWaalsContact O-N 3.09Å
548S29.2Very low33.6Very low100 Ų100122.8 Ų122.870%0.69964%0.639SS**  trans-60.9113.416453.50000106.5K546 Y550K546-S548 PolarHBondContact O-N 3.15Å; S548-Y550 PolarHBondContact O-N 3.07Å
549L39.1Very low34.6Very low95 Ų95121.9 Ų121.950%0.49763%0.634SS.*  trans-59.694.4156.4-110.885.1000105.4P547 Y551 I587P547-L549 PolarHBondContact O-N 3.48Å; P547-L549 VanDerWaalsContact O-N 3.09Å; L549-Y551 HydrophobicContact CB-CE2 4.19Å; L549-Y551 HydrophobicContact CD2-CE1 4.35Å; L549-Y551 HydrophobicContact CD2-CE2 4.42Å; L549-Y551 PolarHBondContact O-N 3.14Å; L549-I587 HydrophobicContact CD1-CD1 4.17Å
550Y29.3Very low36.1Very low193 Ų193118.8 Ų118.876%0.75762%0.618SS**  trans-73.6103.8167.3-161.9-97.5000105.1S548 P552S548-Y550 PolarHBondContact O-N 3.07Å; Y550-P552 WeakPolarHBondContact O-CD 3.29Å
551Y39.5Very low38.7Very low104 Ų104114.5 Ų114.541%0.40860%0.6SS.*  trans-71.6110.9162.4-63.7-87.9000104.7L549 D553 P600L549-Y551 HydrophobicContact CB-CE2 4.19Å; L549-Y551 HydrophobicContact CD2-CE1 4.35Å; L549-Y551 HydrophobicContact CD2-CE2 4.42Å; L549-Y551 PolarHBondContact O-N 3.14Å; Y551-D553 PolarHBondContact O-N 3.11Å; Y551-P600 VanDerWaalsContact OH-CG 3.23Å; Y551-P600 WeakPolarHBondContact OH-CG 3.32Å
552P32.3Very low41.7Very low48 Ų48106.8 Ų106.831%0.31256%0.564SS.*  trans-62124.117225.7-29.7000107Y550 S554Y550-P552 WeakPolarHBondContact O-CD 3.29Å; P552-S554 PolarHBondContact O-N 3.32Å
553D32.2Very low44.8Very low143 Ų143105.1 Ų105.177%0.76555%0.547SS*.  trans-65.671.2159.1-103.3-18.8000106.6Y551 S555Y551-D553 PolarHBondContact O-N 3.11Å; D553-S555 PolarHBondContact O-N 3.41Å
554S39.6Very low48Very low15 Ų1598.6 Ų98.611%0.10551%0.507CS..  trans-79.296.5-178.4-149.50000106D435 P552 L556 H557D435-S554 PolarHBondContact OD1-OG 2.98Å; P552-S554 PolarHBondContact O-N 3.32Å; S554-L556 PolarHBondContact O-N 2.85Å; S554-H557 PolarHBondContact O-N 2.82Å
555S36.6Very low51Low77 Ų7789.4 Ų89.454%0.53848%0.481SS..Hα-helixtrans-48.2-23.9179.952.70000113.3D553 H557 Q558D553-S555 PolarHBondContact O-N 3.41Å; S555-H557 PolarHBondContact O-N 3.09Å; S555-Q558 VanDerWaalsContact O-CB 3.31Å; S555-Q558 WeakPolarHBondContact O-CB 3.39Å; S555-Q558 PolarHBondContact O-N 3.27Å
556L39.6Very low54.2Low71 Ų7192.2 Ų92.237%0.37249%0.487SS..Hα-helixtrans-71.9-22.8178.1-121.7118.7000115.4L444 S554 Q558L444-L556 HydrophobicContact CB-CD1 3.85Å; L444-L556 HydrophobicContact CB-CD2 3.88Å; L444-L556 HydrophobicContact CB-CG 4.44Å; L444-L556 HydrophobicContact CD1-CD1 3.65Å; L444-L556 HydrophobicContact CD1-CD2 3.66Å; L444-L556 HydrophobicContact CD1-CG 4.19Å; L444-L556 HydrophobicContact CD2-CD2 3.29Å; L444-L556 HydrophobicContact CG-CD1 4.22Å; L444-L556 HydrophobicContact CG-CD2 3.75Å; S554-L556 PolarHBondContact O-N 2.85Å; L556-Q558 VanDerWaalsContact C-N 3.33Å
557H45Very low57.3Low36 Ų3685.2 Ų85.217%0.16746%0.458CS..Hα-helixtrans-83.3-15172-83.2-55.2000113K387 N431 S554 S555K387-H557 PolarHBondContact NZ-O 2.95Å; N431-H557 PolarHBondContact ND2-CD2 3.16Å; N431-H557 VanDerWaalsContact ND2-CD2 3.27Å; N431-H557 PolarHBondContact ND2-NE2 3.45Å; N431-H557 PolarHBondContact OD1-NE2 3.07Å; N431-H557 VanDerWaalsContact OD1-NE2 3.13Å; S554-H557 PolarHBondContact O-N 2.82Å; S555-H557 PolarHBondContact O-N 3.09Å
558Q43Very low60.6Low140 Ų14080.1 Ų80.165%0.65442%0.424SS*.Hα-helixtrans-80.1-21.5-173.2-144.9157.913.100113.1S555 L556 N560S555-Q558 VanDerWaalsContact O-CB 3.31Å; S555-Q558 WeakPolarHBondContact O-CB 3.39Å; S555-Q558 PolarHBondContact O-N 3.27Å; L556-Q558 VanDerWaalsContact C-N 3.33Å; Q558-N560 PolarHBondContact O-N 3.1Å; Q558-N560 VanDerWaalsContact O-N 3.16Å
559E54.8Low63.8Low157 Ų15777 Ų7773%0.73440%0.399SS*.THydrogen-bonded Turntrans-69.4-13.8-175.7-68.7-156149.700114.6
560N64.4Low66.6Low79 Ų7972.7 Ų72.742%0.42238%0.376SS..SBendtrans-163.587.1175.5-168.8-1000110.5K387 N391 Q558K387-N560 WeakPolarHBondContact CE-O 3.05Å; K387-N560 PolarHBondContact NZ-O 3.49Å; N391-N560 PolarHBondContact ND2-OD1 2.99Å; Q558-N560 PolarHBondContact O-N 3.1Å; Q558-N560 VanDerWaalsContact O-N 3.16Å
561P84.8Confident69.9Low83 Ų8363.5 Ų63.554%0.53934%0.34SS..  trans-63.8165.8-179.326.9-34.3000112.5N391 L563N391-P561 PolarHBondContact ND2-O 2.92Å; P561-L563 PolarHBondContact O-N 2.84Å
562L92.6Very high72.7Confident21 Ų2158.5 Ų58.511%0.1132%0.321CS..  trans-62.4123.3168.4-77174.6000109.1K387 L390 N391 L426 I427 F564 A565K387-L562 HydrophobicContact CG-CD2 4.23Å; L390-L562 HydrophobicContact CB-CD2 4.07Å; L390-L562 HydrophobicContact CD1-CD2 4.12Å; N391-L562 WeakPolarHBondContact OD1-CA 3.21Å; L426-L562 HydrophobicContact CD2-CD1 4.24Å; L426-L562 HydrophobicContact CD2-CD2 4.25Å; L426-L562 HydrophobicContact CG-CD1 4.19Å; I427-L562 HydrophobicContact CG2-CD1 3.88Å; L562-F564 HydrophobicContact CD1-CZ 4.43Å; L562-F564 HydrophobicContact CD2-CE1 4.21Å; L562-F564 HydrophobicContact CD2-CZ 4.08Å; L562-F564 PolarHBondContact O-N 2.85Å; L562-F564 VanDerWaalsContact O-N 3.11Å; L562-A565 HydrophobicContact CB-CB 4.33Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 2.5Å; L562-A565 VanDerWaalsContact O-N 3.1Å
563L95.2Very high75.8Confident68 Ų6856.2 Ų56.236%0.35631%0.306SS..THydrogen-bonded Turntrans-64.6-19.4-172.5-67.5178.6000113.9N391 Y394 D395 P561N391-L563 HydrophobicContact CB-CD1 4.02Å; N391-L563 HydrophobicContact CB-CG 4.17Å; N391-L563 PolarHBondContact OD1-N 3Å; Y394-L563 HydrophobicContact CD1-CB 3.54Å; Y394-L563 HydrophobicContact CE1-CB 4.06Å; Y394-L563 WeakPolarHBondContact CE1-O 3.12Å; D395-L563 HydrophobicContact CB-CD1 4.12Å; P561-L563 PolarHBondContact O-N 2.84Å
564F95.6Very high78.9Confident0 Ų049.5 Ų49.50%027%0.27CS..THydrogen-bonded Turntrans-110.416.2179.756.3-93.9000113.2F287 L390 Y394 V411 I413 L562 D566 N567 L568F287-F564 HydrophobicContact CD2-CE1 4.12Å; F287-F564 HydrophobicContact CD2-CE2 4.3Å; F287-F564 AromaticContact CD2-CZ 3.87Å; F287-F564 HydrophobicContact CD2-CZ 3.87Å; F287-F564 AromaticContact CE2-CD1 3.85Å; F287-F564 HydrophobicContact CE2-CD1 3.85Å; F287-F564 AromaticContact CE2-CE1 3.49Å; F287-F564 HydrophobicContact CE2-CE1 3.49Å; F287-F564 VanDerWaalsContact CE2-CE1 3.49Å; F287-F564 HydrophobicContact CE2-CE2 4.25Å; F287-F564 HydrophobicContact CE2-CG 4.36Å; F287-F564 AromaticContact CE2-CZ 3.72Å; F287-F564 HydrophobicContact CE2-CZ 3.72Å; F287-F564 HydrophobicContact CZ-CE1 4.19Å; L390-F564 HydrophobicContact CB-CE1 4.06Å; L390-F564 HydrophobicContact CB-CZ 4.23Å; L390-F564 HydrophobicContact CD1-CZ 4.38Å; L390-F564 HydrophobicContact CD2-CE1 4.46Å; L390-F564 HydrophobicContact CD2-CZ 4.13Å; L390-F564 HydrophobicContact CG-CZ 4.49Å; Y394-F564 HydrophobicContact CD1-CB 3.93Å; Y394-F564 AromaticContact CD1-CD1 3.99Å; Y394-F564 HydrophobicContact CD1-CD1 3.99Å; Y394-F564 HydrophobicContact CD1-CG 4.48Å; Y394-F564 HydrophobicContact CD2-CB 3.93Å; Y394-F564 AromaticContact CD2-CD1 3.94Å; Y394-F564 HydrophobicContact CD2-CD1 3.94Å; Y394-F564 HydrophobicContact CD2-CG 4.27Å; Y394-F564 HydrophobicContact CE1-CB 3.61Å; Y394-F564 HydrophobicContact CE2-CB 3.68Å; Y394-F564 HydrophobicContact CE2-CG 4.46Å; Y394-F564 HydrophobicContact CG-CB 4.06Å; Y394-F564 AromaticContact CG-CD1 3.63Å; Y394-F564 HydrophobicContact CG-CD1 3.63Å; Y394-F564 HydrophobicContact CG-CG 4.29Å; V411-F564 HydrophobicContact CB-CB 4.32Å; V411-F564 HydrophobicContact CB-CD2 4.07Å; V411-F564 HydrophobicContact CB-CG 4.41Å; V411-F564 HydrophobicContact CG1-CB 4.44Å; V411-F564 HydrophobicContact CG1-CD2 3.6Å; V411-F564 HydrophobicContact CG1-CE2 3.99Å; V411-F564 HydrophobicContact CG1-CG 4.03Å; V411-F564 HydrophobicContact CG2-CB 3.89Å; V411-F564 HydrophobicContact CG2-CG 4.36Å; I413-F564 HydrophobicContact CD1-CE2 4.22Å; L562-F564 HydrophobicContact CD1-CZ 4.43Å; L562-F564 HydrophobicContact CD2-CE1 4.21Å; L562-F564 HydrophobicContact CD2-CZ 4.08Å; L562-F564 PolarHBondContact O-N 2.85Å; L562-F564 VanDerWaalsContact O-N 3.11Å; F564-D566 PolarHBondContact O-N 3.5Å; F564-N567 CarbonylContact O-C 3.56Å; F564-N567 PolarHBondContact O-N 3.42Å; F564-L568 HydrophobicContact CE2-CD1 4.48Å; F564-L568 PolarHBondContact O-N 2.95Å; F564-L568 VanDerWaalsContact O-N 3.1Å
565A93.9Very high81.5Confident45 Ų4548.8 Ų48.837%0.37227%0.265SS..G310 helixtrans-53.3-42.3-176.600000112.3L562 N567 L568L562-A565 HydrophobicContact CB-CB 4.33Å; L562-A565 WeakPolarHBondContact O-CB 3.36Å; L562-A565 PolarHBondContact O-N 2.5Å; L562-A565 VanDerWaalsContact O-N 3.1Å; A565-N567 VanDerWaalsContact C-N 3.27Å; A565-N567 PolarHBondContact O-N 2.94Å; A565-L568 WeakPolarHBondContact O-CB 3.34Å; A565-L568 PolarHBondContact O-N 3.35Å
566D93.4Very high84.3Confident164 Ų16445.1 Ų45.188%0.87724%0.239SC*.G310 helixtrans-70.4-21.1179.1-64.1-29.7000113.6F564F564-D566 PolarHBondContact O-N 3.5Å
567N95.3Very high86.9Confident31 Ų3142.6 Ų42.617%0.16623%0.227CC..G310 helixtrans-97.7-2.2179.3-63.183.8000112.8G409 V411 F564 A565 E569G409-N567 PolarHBondContact O-ND2 3.21Å; V411-N567 HydrophobicContact CB-CB 4.48Å; V411-N567 HydrophobicContact CG2-CB 4.04Å; V411-N567 PolarHBondContact N-O 3.28Å; F564-N567 CarbonylContact O-C 3.56Å; F564-N567 PolarHBondContact O-N 3.42Å; A565-N567 VanDerWaalsContact C-N 3.27Å; A565-N567 PolarHBondContact O-N 2.94Å; N567-E569 PolarHBondContact O-N 2.91Å; N567-E569 VanDerWaalsContact O-N 3.16Å
568L97.1Very high89.3Confident12 Ų1240.9 Ų40.96%0.06322%0.219CC..EExtended strand (participates in β ladder)trans-72.4105-176.6-177.561.1000111.7V411 I413 I427 F564 A565 C604V411-L568 CarbonylContact O-C 3.6Å; V411-L568 WeakPolarHBondContact O-CA 3.46Å; I413-L568 HydrophobicContact CD1-CD1 4.02Å; I413-L568 HydrophobicContact CG1-CD1 3.96Å; I427-L568 HydrophobicContact CG2-CD2 4.18Å; F564-L568 HydrophobicContact CE2-CD1 4.48Å; F564-L568 PolarHBondContact O-N 2.95Å; F564-L568 VanDerWaalsContact O-N 3.1Å; A565-L568 WeakPolarHBondContact O-CB 3.34Å; A565-L568 PolarHBondContact O-N 3.35Å; L568-C604 HydrophobicContact CD2-CB 4.02Å; L568-C604 HydrophobicContact CG-CB 4.25Å
569E96.8Very high91.8Very high34 Ų3434.3 Ų34.316%0.15919%0.189CC..EExtended strand (participates in β ladder)trans-91-54.2-175.7-167.475.1-16900111.6K410 V411 N567 R605 R606K410-E569 HydrophobicContact CB-CB 4.45Å; K410-E569 IonicContact NZ-OE2 2.85Å; K410-E569 PolarHBondContact NZ-OE2 2.87Å; V411-E569 PolarHBondContact O-N 3.38Å; N567-E569 PolarHBondContact O-N 2.91Å; N567-E569 VanDerWaalsContact O-N 3.16Å; E569-R605 WeakPolarHBondContact O-CB 3.49Å; E569-R605 PolarHBondContact O-N 3.42Å; E569-R605 WeakPolarHBondContact OE1-CD 3.21Å; E569-R605 IonicContact OE1-NE 3.39Å; E569-R605 PolarHBondContact OE1-NE 3.13Å; E569-R606 PolarHBondContact O-N 3.24Å
570N97.9Very high93.6Very high5 Ų529.1 Ų29.13%0.02717%0.168CC..EExtended strand (participates in β ladder)trans-131.9142.3-170.5-52-63.5000113.1S412 I413 F572 R606 F608S412-N570 CarbonylContact C-O 3.46Å; S412-N570 VanDerWaalsContact CA-O 3.28Å; S412-N570 WeakPolarHBondContact CA-O 3.5Å; S412-N570 WeakPolarHBondContact OG-CB 3.36Å; S412-N570 PolarHBondContact OG-ND2 2.82Å; S412-N570 VanDerWaalsContact OG-ND2 3.15Å; I413-N570 PolarHBondContact N-O 2.7Å; N570-F572 HydrophobicContact CB-CD2 4.17Å; N570-F572 HydrophobicContact CB-CE2 3.54Å; N570-F572 HydrophobicContact CB-CZ 3.86Å; N570-R606 CarbonylContact C-O 3.52Å; N570-R606 WeakPolarHBondContact CA-O 3.17Å; N570-F608 HydrophobicContact CB-CD2 4.37Å; N570-F608 HydrophobicContact CB-CE2 3.95Å; N570-F608 WeakPolarHBondContact OD1-CE2 3.32Å
571L98.1Very high95Very high0 Ų027.7 Ų27.70%016%0.157CC..EExtended strand (participates in β ladder)trans-115.5110.3164.7175.258.1000109.7I413 A415 V423 I427 L599 R606 I607 F608I413-L571 HydrophobicContact CB-CD1 3.99Å; I413-L571 HydrophobicContact CG2-CD1 3.95Å; A415-L571 HydrophobicContact CB-CD1 4.41Å; V423-L571 HydrophobicContact CB-CD1 4.42Å; V423-L571 HydrophobicContact CG1-CD1 3.69Å; V423-L571 HydrophobicContact CG1-CD2 4.23Å; I427-L571 HydrophobicContact CD1-CD2 3.97Å; L571-L599 HydrophobicContact CD2-CD2 4.23Å; L571-R606 PolarHBondContact N-O 2.77Å; L571-I607 HydrophobicContact CD2-CD1 4.2Å; L571-I607 HydrophobicContact CD2-CG1 4.36Å; L571-I607 HydrophobicContact CG-CG1 4.43Å; L571-I607 WeakPolarHBondContact O-CA 3.46Å; L571-F608 PolarHBondContact O-N 2.87Å
572F98.3Very high95.4Very high0 Ų023.8 Ų23.80%013%0.132CC..EExtended strand (participates in β ladder)trans-95110.8173.6-58.3-85.4000109.8I413 I414 A415 N570 F608 I610 F818 I819 L823I413-F572 PolarHBondContact O-N 3.31Å; I414-F572 HydrophobicContact CG1-CB 4.3Å; I414-F572 HydrophobicContact CG1-CD2 3.9Å; I414-F572 HydrophobicContact CG1-CG 4.44Å; I414-F572 HydrophobicContact CG2-CB 4.36Å; A415-F572 PolarHBondContact N-O 2.86Å; N570-F572 HydrophobicContact CB-CD2 4.17Å; N570-F572 HydrophobicContact CB-CE2 3.54Å; N570-F572 HydrophobicContact CB-CZ 3.86Å; F572-F608 HydrophobicContact CD1-CB 3.84Å; F572-F608 AromaticContact CD1-CD2 3.59Å; F572-F608 HydrophobicContact CD1-CD2 3.59Å; F572-F608 HydrophobicContact CD1-CE2 4.41Å; F572-F608 AromaticContact CD1-CG 3.9Å; F572-F608 HydrophobicContact CD1-CG 3.9Å; F572-F608 HydrophobicContact CE1-CB 4.38Å; F572-F608 AromaticContact CE1-CD2 3.44Å; F572-F608 HydrophobicContact CE1-CD2 3.44Å; F572-F608 VanDerWaalsContact CE1-CD2 3.44Å; F572-F608 AromaticContact CE1-CE2 3.81Å; F572-F608 HydrophobicContact CE1-CE2 3.81Å; F572-F608 AromaticContact CE1-CG 3.93Å; F572-F608 HydrophobicContact CE1-CG 3.93Å; F572-F608 HydrophobicContact CG-CD2 4.32Å; F572-F608 HydrophobicContact CZ-CD2 4.07Å; F572-F608 HydrophobicContact CZ-CE2 4.11Å; F572-I610 HydrophobicContact CD1-CD1 4.05Å; F572-F818 HydrophobicContact CD1-CE1 4.32Å; F572-F818 HydrophobicContact CE1-CD1 4.45Å; F572-F818 HydrophobicContact CE1-CE1 4.14Å; F572-I819 HydrophobicContact CD1-CG1 4.11Å; F572-I819 HydrophobicContact CE1-CG1 4.18Å; F572-I819 HydrophobicContact CE2-CG2 4.34Å; F572-I819 HydrophobicContact CG-CG1 4.4Å; F572-I819 HydrophobicContact CZ-CG2 4.32Å; F572-L823 HydrophobicContact CE2-CD2 4.32Å
573C98.2Very high95.4Very high0 Ų025.3 Ų25.30%014%0.142CC..EExtended strand (participates in β ladder)trans-96.4111176.4-67.50000109.7C420 F608 I610C420-C573 HydrophobicContact CB-CB 4.16Å; C573-F608 WeakPolarHBondContact CB-O 3.35Å; C573-F608 PolarHBondContact N-O 3.07Å; C573-I610 PolarHBondContact O-N 2.94Å
574L96.5Very high95Very high2 Ų228.6 Ų28.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-101.9123.7-178.4-50.3-176000110.6I414 A415 H416 S417 S576 I610 Y809 W810 I815I414-L574 HydrophobicContact CG2-CD1 3.6Å; I414-L574 HydrophobicContact CG2-CG 4.13Å; A415-L574 PolarHBondContact O-N 3.17Å; H416-L574 WeakPolarHBondContact CA-O 3.41Å; H416-L574 HydrophobicContact CB-CB 4.43Å; H416-L574 PolarHBondContact CD2-O 3.45Å; H416-L574 VanDerWaalsContact CD2-O 3.31Å; S417-L574 PolarHBondContact N-O 3.35Å; L574-S576 VanDerWaalsContact C-N 3.29Å; L574-S576 PolarHBondContact O-N 3.47Å; L574-I610 WeakPolarHBondContact CA-O 3.06Å; L574-I610 HydrophobicContact CD2-CB 3.77Å; L574-I610 HydrophobicContact CD2-CD1 3.64Å; L574-I610 HydrophobicContact CD2-CG1 4.28Å; L574-I610 HydrophobicContact CD2-CG2 4.09Å; L574-Y809 HydrophobicContact CB-CD1 4.08Å; L574-Y809 HydrophobicContact CB-CG 4.04Å; L574-W810 HydrophobicContact CD1-CE3 4.21Å; L574-W810 HydrophobicContact CD1-CZ3 4.01Å; L574-I815 HydrophobicContact CD2-CG2 4.28Å
575G94.2Very high94.6Very high0 Ų030.8 Ų30.80%017%0.167CC..SBendtrans5740.4175.900000113.4I610 D615 H806 Y809G575-I610 PolarHBondContact N-O 2.9Å; G575-D615 VanDerWaalsContact CA-OD2 3.29Å; G575-D615 WeakPolarHBondContact CA-OD2 3.33Å; G575-H806 PolarHBondContact O-CE1 3.14Å; G575-H806 VanDerWaalsContact O-CE1 3.31Å; G575-Y809 WeakPolarHBondContact CA-OH 3.39Å
576S95.4Very high94.3Very high0 Ų030.9 Ų30.90%017%0.173CC..  trans-91.6136.2-161.2-178.30000114.4C420 L574 L578 V617 A618 Y619C420-S576 WeakPolarHBondContact CB-OG 3.33Å; L574-S576 VanDerWaalsContact C-N 3.29Å; L574-S576 PolarHBondContact O-N 3.47Å; S576-L578 PolarHBondContact O-N 3.1Å; S576-L578 WeakPolarHBondContact OG-CB 3.44Å; S576-L578 PolarHBondContact OG-N 2.95Å; S576-L578 VanDerWaalsContact OG-N 3.1Å; S576-V617 CarbonylContact C-O 3.54Å; S576-A618 WeakPolarHBondContact O-CA 3.42Å; S576-Y619 PolarHBondContact O-N 3.35Å
577P95.3Very high94.1Very high17 Ų1724.3 Ų24.311%0.1114%0.137CC..  trans-82.53.4169.635.1-34.3000113.6S417 V421 G579 V580 Y581 V617S417-P577 WeakPolarHBondContact O-CD 3.44Å; V421-P577 HydrophobicContact CG2-CG 4.05Å; P577-G579 PolarHBondContact O-N 3.23Å; P577-G579 VanDerWaalsContact O-N 3.09Å; P577-V580 PolarHBondContact O-N 2.89Å; P577-Y581 HydrophobicContact CB-CD2 4.25Å; P577-Y581 HydrophobicContact CB-CE2 4.18Å; P577-Y581 HydrophobicContact CG-CD2 4.33Å; P577-Y581 HydrophobicContact CG-CE2 4.08Å; P577-Y581 PolarHBondContact O-N 2.87Å; P577-V617 WeakPolarHBondContact CA-O 3.2Å; P577-V617 HydrophobicContact CB-CG1 4.05Å; P577-V617 HydrophobicContact CG-CG1 4.1Å
578L95.7Very high93.8Very high0 Ų029.7 Ų29.70%016%0.155CC..Hα-helixtrans-50.9-39-172.7178.662.7000113.1V421 Y424 S576 V580 Y581 L582 I607 L621V421-L578 HydrophobicContact CG2-CB 4.44Å; V421-L578 HydrophobicContact CG2-CD1 4.45Å; Y424-L578 HydrophobicContact CD1-CD1 4.05Å; Y424-L578 HydrophobicContact CD2-CD1 4.14Å; Y424-L578 HydrophobicContact CD2-CD2 3.97Å; Y424-L578 HydrophobicContact CG-CD1 3.72Å; Y424-L578 HydrophobicContact CG-CD2 4.26Å; S576-L578 PolarHBondContact O-N 3.1Å; S576-L578 WeakPolarHBondContact OG-CB 3.44Å; S576-L578 PolarHBondContact OG-N 2.95Å; S576-L578 VanDerWaalsContact OG-N 3.1Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 2.95Å; L578-Y581 PolarHBondContact O-N 3.49Å; L578-Y581 VanDerWaalsContact O-N 3.12Å; L578-L582 HydrophobicContact CD1-CD1 4.34Å; L578-L582 HydrophobicContact CD1-CD2 4.34Å; L578-L582 HydrophobicContact CD1-CG 4.07Å; L578-L582 HydrophobicContact CG-CD1 3.97Å; L578-L582 HydrophobicContact CG-CG 4.18Å; L578-L582 WeakPolarHBondContact O-CG 3.45Å; L578-L582 PolarHBondContact O-N 3.45Å; L578-I607 HydrophobicContact CD2-CD1 4.15Å; L578-L621 HydrophobicContact CD2-CD1 4.47Å; L578-L621 HydrophobicContact CG-CD2 4.42Å
579G94.6Very high93.3Very high3 Ų331.8 Ų31.83%0.03117%0.17CC..Hα-helixtrans-55.4-42.8177.400000113.4P577 L582 V583 L624P577-G579 PolarHBondContact O-N 3.23Å; P577-G579 VanDerWaalsContact O-N 3.09Å; G579-L582 PolarHBondContact O-N 3.28Å; G579-V583 WeakPolarHBondContact O-CG2 3.35Å; G579-V583 PolarHBondContact O-N 3.27Å; G579-V583 VanDerWaalsContact O-N 3.11Å; G579-L624 WeakPolarHBondContact O-CD1 3.26Å
580V93.3Very high92.5Very high47 Ų4731.2 Ų31.229%0.28517%0.172SC..Hα-helixtrans-67.4-43.2176.5168.70000111.2P577 L578 L582 V583 L584 Y619P577-V580 PolarHBondContact O-N 2.89Å; L578-V580 VanDerWaalsContact C-N 3.31Å; L578-V580 PolarHBondContact O-N 2.95Å; V580-L582 VanDerWaalsContact C-N 3.32Å; V580-L582 PolarHBondContact O-N 2.65Å; V580-V583 PolarHBondContact O-N 2.98Å; V580-L584 HydrophobicContact CG1-CD1 3.88Å; V580-L584 HydrophobicContact CG1-CG 4.24Å; V580-L584 WeakPolarHBondContact O-CG 3.36Å; V580-L584 PolarHBondContact O-N 3.3Å; V580-Y619 HydrophobicContact CB-CD2 4.44Å; V580-Y619 HydrophobicContact CG2-CD1 3.32Å; V580-Y619 HydrophobicContact CG2-CD2 3.55Å; V580-Y619 HydrophobicContact CG2-CE1 3.37Å; V580-Y619 HydrophobicContact CG2-CE2 3.61Å; V580-Y619 HydrophobicContact CG2-CG 3.41Å; V580-Y619 VanDerWaalsContact CG2-CG 3.41Å
581Y92.7Very high91.6Very high49 Ų4936.5 Ų36.519%0.19221%0.207CC..Hα-helixtrans-58.3-46.3177-82.6-87.5000111.1Y373 V421 P577 L578 V583 L584 R585Y373-Y581 HydrophobicContact CD1-CE1 4.33Å; Y373-Y581 HydrophobicContact CE1-CD1 4.24Å; Y373-Y581 AromaticContact CE1-CE1 3.55Å; Y373-Y581 HydrophobicContact CE1-CE1 3.55Å; Y373-Y581 AromaticContact CE1-CZ 4Å; V421-Y581 HydrophobicContact CG1-CD1 4.07Å; V421-Y581 HydrophobicContact CG1-CD2 4.24Å; V421-Y581 HydrophobicContact CG1-CE1 4.46Å; V421-Y581 HydrophobicContact CG1-CG 3.95Å; V421-Y581 HydrophobicContact CG2-CD2 3.75Å; V421-Y581 HydrophobicContact CG2-CE2 4.03Å; V421-Y581 HydrophobicContact CG2-CG 4.24Å; P577-Y581 HydrophobicContact CB-CD2 4.25Å; P577-Y581 HydrophobicContact CB-CE2 4.18Å; P577-Y581 HydrophobicContact CG-CD2 4.33Å; P577-Y581 HydrophobicContact CG-CE2 4.08Å; P577-Y581 PolarHBondContact O-N 2.87Å; L578-Y581 PolarHBondContact O-N 3.49Å; L578-Y581 VanDerWaalsContact O-N 3.12Å; Y581-V583 VanDerWaalsContact C-N 3.33Å; Y581-V583 PolarHBondContact O-N 2.78Å; Y581-L584 PolarHBondContact O-N 2.97Å; Y581-L584 VanDerWaalsContact O-N 3.17Å; Y581-R585 WeakPolarHBondContact O-CB 3.3Å; Y581-R585 WeakPolarHBondContact O-CD 3.28Å; Y581-R585 WeakPolarHBondContact O-CG 3.35Å; Y581-R585 PolarHBondContact O-N 3.5Å
582L93.5Very high90.7Very high1 Ų140.6 Ų40.61%0.00523%0.225CC..Hα-helixtrans-59.7-41.6176.8-65.6172.9000112.3Y424 L578 G579 V580 R585 G586 I587 I598 L621 L624Y424-L582 HydrophobicContact CD1-CD2 4.42Å; Y424-L582 HydrophobicContact CE1-CD2 3.65Å; Y424-L582 HydrophobicContact CE2-CD2 4.15Å; Y424-L582 VanDerWaalsContact CZ-CD2 3.48Å; Y424-L582 WeakPolarHBondContact OH-CD2 3.22Å; L578-L582 HydrophobicContact CD1-CD1 4.34Å; L578-L582 HydrophobicContact CD1-CD2 4.34Å; L578-L582 HydrophobicContact CD1-CG 4.07Å; L578-L582 HydrophobicContact CG-CD1 3.97Å; L578-L582 HydrophobicContact CG-CG 4.18Å; L578-L582 WeakPolarHBondContact O-CG 3.45Å; L578-L582 PolarHBondContact O-N 3.45Å; G579-L582 PolarHBondContact O-N 3.28Å; V580-L582 VanDerWaalsContact C-N 3.32Å; V580-L582 PolarHBondContact O-N 2.65Å; L582-R585 WeakPolarHBondContact O-CB 3.47Å; L582-R585 PolarHBondContact O-N 2.88Å; L582-G586 PolarHBondContact O-N 3.13Å; L582-I587 HydrophobicContact CB-CB 4.13Å; L582-I587 HydrophobicContact CB-CG1 4.08Å; L582-I587 HydrophobicContact CD2-CG1 4.24Å; L582-I587 VanDerWaalsContact O-CB 3.28Å; L582-I587 WeakPolarHBondContact O-CB 3.37Å; L582-I587 WeakPolarHBondContact O-CG1 3.5Å; L582-I587 PolarHBondContact O-N 3.01Å; L582-I598 HydrophobicContact CD1-CG2 3.52Å; L582-L621 HydrophobicContact CD1-CD2 3.89Å; L582-L624 HydrophobicContact CB-CD1 3.98Å; L582-L624 HydrophobicContact CD1-CD1 4.23Å
583V92Very high90Very high54 Ų5445 Ų4533%0.32725%0.246SC..Hα-helixtrans-61.3-46.2174.31720000111.4G579 V580 Y581 R585 G586 R588 L624G579-V583 WeakPolarHBondContact O-CG2 3.35Å; G579-V583 PolarHBondContact O-N 3.27Å; G579-V583 VanDerWaalsContact O-N 3.11Å; V580-V583 PolarHBondContact O-N 2.98Å; Y581-V583 VanDerWaalsContact C-N 3.33Å; Y581-V583 PolarHBondContact O-N 2.78Å; V583-R585 PolarHBondContact O-N 3.1Å; V583-G586 PolarHBondContact O-N 3.11Å; V583-R588 PolarHBondContact O-NH1 3.22Å; V583-L624 HydrophobicContact CG2-CD1 4.18Å; V583-L624 HydrophobicContact CG2-CD2 3.3Å; V583-L624 HydrophobicContact CG2-CG 4.38Å
584L88.4Confident89.4Confident136 Ų13646.8 Ų46.871%0.71226%0.256SS*.Hα-helixtrans-64.4-25.6178.3-67.8175.2000112.3V580 Y581 G586V580-L584 HydrophobicContact CG1-CD1 3.88Å; V580-L584 HydrophobicContact CG1-CG 4.24Å; V580-L584 WeakPolarHBondContact O-CG 3.36Å; V580-L584 PolarHBondContact O-N 3.3Å; Y581-L584 PolarHBondContact O-N 2.97Å; Y581-L584 VanDerWaalsContact O-N 3.17Å; L584-G586 PolarHBondContact O-N 2.7Å
585R86.8Confident89.1Confident46 Ų4646.9 Ų46.917%0.17426%0.257CS..THydrogen-bonded Turntrans-81.30.6173.8-64.6170.5-175.7-174.7-1.6114Y373 D425 W430 Y581 L582 V583Y373-R585 PolarHBondContact OH-NH2 2.93Å; D425-R585 IonicContact OD1-CZ 2.7Å; D425-R585 IonicContact OD1-NH1 2.8Å; D425-R585 PolarHBondContact OD1-NH1 3.37Å; D425-R585 IonicContact OD1-NH2 3.64Å; D425-R585 PolarHBondContact OD1-NH2 3.47Å; D425-R585 IonicContact OD2-CZ 2.8Å; D425-R585 IonicContact OD2-NH2 3.63Å; D425-R585 PolarHBondContact OD2-NH2 3.3Å; W430-R585 VanDerWaalsContact CE2-CD 3.49Å; W430-R585 VanDerWaalsContact CE3-CZ 3.42Å; W430-R585 HydrophobicContact CH2-CG 3.79Å; W430-R585 HydrophobicContact CZ2-CB 4.27Å; W430-R585 HydrophobicContact CZ2-CG 3.33Å; W430-R585 VanDerWaalsContact CZ2-NE 3.34Å; W430-R585 VanDerWaalsContact CZ3-CZ 3.42Å; Y581-R585 WeakPolarHBondContact O-CB 3.3Å; Y581-R585 WeakPolarHBondContact O-CD 3.28Å; Y581-R585 WeakPolarHBondContact O-CG 3.35Å; Y581-R585 PolarHBondContact O-N 3.5Å; L582-R585 WeakPolarHBondContact O-CB 3.47Å; L582-R585 PolarHBondContact O-N 2.88Å; V583-R585 PolarHBondContact O-N 3.1Å
586G87.7Confident89Confident47 Ų4749.5 Ų49.549%0.48527%0.271SS..THydrogen-bonded Turntrans89.55.5178.100000114.8L582 V583 L584 R588L582-G586 PolarHBondContact O-N 3.13Å; V583-G586 PolarHBondContact O-N 3.11Å; L584-G586 PolarHBondContact O-N 2.7Å; G586-R588 PolarHBondContact O-N 2.95Å
587I88.7Confident88.5Confident26 Ų2650.5 Ų50.513%0.13328%0.278CS..  trans-64128.2171.6-56.3-60.2000108.6L549 L582L549-I587 HydrophobicContact CD1-CD1 4.17Å; L582-I587 HydrophobicContact CB-CB 4.13Å; L582-I587 HydrophobicContact CB-CG1 4.08Å; L582-I587 HydrophobicContact CD2-CG1 4.24Å; L582-I587 VanDerWaalsContact O-CB 3.28Å; L582-I587 WeakPolarHBondContact O-CB 3.37Å; L582-I587 WeakPolarHBondContact O-CG1 3.5Å; L582-I587 PolarHBondContact O-N 3.01Å
588R87.9Confident88.2Confident145 Ų14549.9 Ų49.955%0.54727%0.273SS..  trans-132151.5-179.6-65.8-65.5177.7-85.90.1109.5V583 G586V583-R588 PolarHBondContact O-NH1 3.22Å; G586-R588 PolarHBondContact O-N 2.95Å
589P87.1Confident88.1Confident56 Ų5649.9 Ų49.936%0.36427%0.273SS..  trans-58.4140175.4-16.729.5000110.7P623 L624 K627P589-P623 WeakPolarHBondContact CG-O 3.34Å; P589-L624 VanDerWaalsContact CA-O 3.25Å; P589-L624 WeakPolarHBondContact CA-O 3.5Å; P589-K627 HydrophobicContact CB-CB 3.95Å; P589-K627 HydrophobicContact CG-CB 4.26Å
590G80.8Confident87.9Confident21 Ų2150.2 Ų50.222%0.21628%0.275CS..  trans-136.6-173.3179.900000111.5F592 I625G590-F592 PolarHBondContact O-N 2.94Å; G590-I625 PolarHBondContact N-O 3.47Å; G590-I625 VanDerWaalsContact O-O 3.11Å
591P77.7Confident87.9Confident116 Ų11651.4 Ų51.475%0.75328%0.275SS*.SBendtrans-75.828.8176.234.6-36.4000112.3
592F80.4Confident87.8Confident87 Ų8757.4 Ų57.438%0.38230%0.302SS..  trans-86.9136-176.3-52.6-68000109.6G590 I625 L626G590-F592 PolarHBondContact O-N 2.94Å; F592-I625 HydrophobicContact CB-CG2 3.99Å; F592-I625 WeakPolarHBondContact O-CG2 3.17Å; F592-L626 WeakPolarHBondContact O-CD2 3.42Å; F592-L626 WeakPolarHBondContact O-CG 3.36Å
593Q82.6Confident87.7Confident92 Ų9259.2 Ų59.243%0.4331%0.311SS..  trans-106.76.7174.6-66.1179.483.400112L626 L780 Q781 L782 E783Q593-L626 HydrophobicContact CG-CD1 4.49Å; Q593-L780 HydrophobicContact CG-CD2 4.24Å; Q593-Q781 PolarHBondContact OE1-O 3.44Å; Q593-L782 WeakPolarHBondContact O-CA 3.31Å; Q593-E783 PolarHBondContact O-N 3.35Å
594T86.8Confident87.8Confident37 Ų3756.7 Ų56.723%0.22730%0.296CS..SBendtrans-131.1155.2-170.376.90000112.4D596 S597 I625T594-D596 WeakPolarHBondContact CB-OD2 3.44Å; T594-D596 PolarHBondContact O-N 2.92Å; T594-D596 VanDerWaalsContact O-N 3.14Å; T594-D596 WeakPolarHBondContact OG1-CB 3.3Å; T594-D596 PolarHBondContact OG1-N 2.97Å; T594-D596 PolarHBondContact OG1-OD2 3.48Å; T594-S597 PolarHBondContact O-OG 3.36Å; T594-S597 VanDerWaalsContact O-OG 3.13Å; T594-I625 WeakPolarHBondContact O-CG2 3.15Å
595Q90.5Very high88.1Confident4 Ų457.3 Ų57.32%0.01929%0.289CS..G310 helixtrans-61.8-16.7174.572173.534.200113.5S597 I598 L599 R601 C604 R605 I607 L786Q595-S597 PolarHBondContact O-N 2.97Å; Q595-I598 PolarHBondContact O-N 3.24Å; Q595-L599 PolarHBondContact O-N 3Å; Q595-R601 HydrophobicContact CG-CG 4.02Å; Q595-C604 PolarHBondContact NE2-O 3.4Å; Q595-R605 PolarHBondContact NE2-O 2.98Å; Q595-I607 HydrophobicContact CB-CG2 4.36Å; Q595-L786 HydrophobicContact CB-CD1 4.3Å; Q595-L786 HydrophobicContact CB-CD2 4.02Å
596D90.1Very high88.5Confident56 Ų5656.4 Ų56.430%0.29929%0.285SS..G310 helixtrans-61.6-19.6-174.1-57.4-55.9000113T594 I598 R601T594-D596 WeakPolarHBondContact CB-OD2 3.44Å; T594-D596 PolarHBondContact O-N 2.92Å; T594-D596 VanDerWaalsContact O-N 3.14Å; T594-D596 WeakPolarHBondContact OG1-CB 3.3Å; T594-D596 PolarHBondContact OG1-N 2.97Å; T594-D596 PolarHBondContact OG1-OD2 3.48Å; D596-I598 PolarHBondContact O-N 3.23Å; D596-R601 WeakPolarHBondContact OD1-CB 3.45Å; D596-R601 WeakPolarHBondContact OD1-CG 3.39Å; D596-R601 PolarHBondContact OD1-N 2.99Å; D596-R601 IonicContact OD1-NE 3.5Å; D596-R601 PolarHBondContact OD1-NE 2.71Å; D596-R601 IonicContact OD2-CZ 2.78Å; D596-R601 IonicContact OD2-NE 3.15Å; D596-R601 PolarHBondContact OD2-NE 3.48Å; D596-R601 VanDerWaalsContact OD2-NE 3.15Å; D596-R601 IonicContact OD2-NH2 3.01Å; D596-R601 PolarHBondContact OD2-NH2 2.83Å
597S86.1Confident88.9Confident20 Ų2054.2 Ų54.214%0.1426%0.262CS..G310 helixtrans-67.6-22171.659.10000114T594 Q595T594-S597 PolarHBondContact O-OG 3.36Å; T594-S597 VanDerWaalsContact O-OG 3.13Å; Q595-S597 PolarHBondContact O-N 2.97Å
598I89.9Confident89.3Confident4 Ų453 Ų532%0.02126%0.256CS..THydrogen-bonded Turntrans-111.6-52.8178.1-65.7176.9000110.5Y424 L582 Q595 D596 L621 L624 I625Y424-I598 HydrophobicContact CE2-CG2 4.1Å; Y424-I598 WeakPolarHBondContact CE2-O 3.24Å; Y424-I598 PolarHBondContact OH-O 2.81Å; L582-I598 HydrophobicContact CD1-CG2 3.52Å; Q595-I598 PolarHBondContact O-N 3.24Å; D596-I598 PolarHBondContact O-N 3.23Å; I598-L621 HydrophobicContact CD1-CB 4.31Å; I598-L624 HydrophobicContact CD1-CB 4.01Å; I598-I625 HydrophobicContact CD1-CD1 3.96Å; I598-I625 HydrophobicContact CD1-CG1 3.43Å; I598-I625 VanDerWaalsContact CD1-CG1 3.43Å; I598-I625 HydrophobicContact CG1-CG1 4Å
599L92Very high89.8Confident0 Ų046 Ų460%023%0.23CC..SBendtrans-136.4106.9179.8-175.961.5000109.5Y424 I427 T428 L571 Q595 R601 I603 C604 I607Y424-L599 HydrophobicContact CE2-CB 4.4Å; Y424-L599 HydrophobicContact CE2-CD1 4.37Å; I427-L599 HydrophobicContact CD1-CD1 3.86Å; I427-L599 HydrophobicContact CD1-CD2 4.05Å; I427-L599 HydrophobicContact CG1-CD1 4.16Å; T428-L599 HydrophobicContact CG2-CD1 3.63Å; L571-L599 HydrophobicContact CD2-CD2 4.23Å; Q595-L599 PolarHBondContact O-N 3Å; L599-R601 PolarHBondContact O-N 3.22Å; L599-I603 HydrophobicContact CD1-CB 4.47Å; L599-I603 HydrophobicContact CD1-CG2 4.31Å; L599-C604 HydrophobicContact CD2-CB 3.74Å; L599-C604 HydrophobicContact CG-CB 4.28Å; L599-I607 HydrophobicContact CD2-CB 4Å; L599-I607 HydrophobicContact CD2-CD1 4.18Å; L599-I607 HydrophobicContact CD2-CG1 4.49Å
600P91.6Very high90.3Very high11 Ų1143.4 Ų43.47%0.07121%0.212CC..  trans-57132.1178.1-26.634.5000112.7Y551 K602 I603 C604Y551-P600 VanDerWaalsContact OH-CG 3.23Å; Y551-P600 WeakPolarHBondContact OH-CG 3.32Å; P600-K602 HydrophobicContact CB-CG 3.83Å; P600-K602 PolarHBondContact O-N 3.49Å; P600-K602 VanDerWaalsContact O-N 3.13Å; P600-I603 HydrophobicContact CB-CD1 4.37Å; P600-I603 HydrophobicContact CB-CG1 4.37Å; P600-I603 HydrophobicContact CG-CD1 4.25Å; P600-I603 WeakPolarHBondContact O-CB 3.44Å; P600-I603 PolarHBondContact O-N 3.43Å; P600-C604 PolarHBondContact O-N 3.2Å
601R91.7Very high91Very high71 Ų7143.2 Ų43.227%0.26821%0.205SC..THydrogen-bonded Turntrans-60-23.4178-80.7179.6-87.1-149.610.3115.2Q595 D596 L599 I603 C604 R605 E783Q595-R601 HydrophobicContact CG-CG 4.02Å; D596-R601 WeakPolarHBondContact OD1-CB 3.45Å; D596-R601 WeakPolarHBondContact OD1-CG 3.39Å; D596-R601 PolarHBondContact OD1-N 2.99Å; D596-R601 IonicContact OD1-NE 3.5Å; D596-R601 PolarHBondContact OD1-NE 2.71Å; D596-R601 IonicContact OD2-CZ 2.78Å; D596-R601 IonicContact OD2-NE 3.15Å; D596-R601 PolarHBondContact OD2-NE 3.48Å; D596-R601 VanDerWaalsContact OD2-NE 3.15Å; D596-R601 IonicContact OD2-NH2 3.01Å; D596-R601 PolarHBondContact OD2-NH2 2.83Å; L599-R601 PolarHBondContact O-N 3.22Å; R601-I603 PolarHBondContact O-N 2.99Å; R601-C604 WeakPolarHBondContact CA-O 3.28Å; R601-C604 CarbonylContact O-C 3.52Å; R601-R605 WeakPolarHBondContact CG-O 3.43Å; R601-E783 IonicContact CZ-OE2 3.99Å; R601-E783 VanDerWaalsContact CZ-OE2 3.26Å; R601-E783 IonicContact NH1-OE1 3.12Å; R601-E783 PolarHBondContact NH1-OE1 2.66Å; R601-E783 VanDerWaalsContact NH1-OE1 3.12Å; R601-E783 IonicContact NH1-OE2 2.73Å; R601-E783 PolarHBondContact NH1-OE2 3.34Å; R601-E783 IonicContact NH2-OE2 3.58Å; R601-E783 PolarHBondContact NH2-OE2 3.41Å
602K91.2Very high91.8Very high176 Ų17638.4 Ų38.477%0.76517%0.173SC*.THydrogen-bonded Turntrans-65-21.217266.4173.4-176.3170.50113.5P600P600-K602 HydrophobicContact CB-CG 3.83Å; P600-K602 PolarHBondContact O-N 3.49Å; P600-K602 VanDerWaalsContact O-N 3.13Å
603I92Very high92.3Very high39 Ų3937.4 Ų37.420%0.218%0.175CC..THydrogen-bonded Turntrans-96-46.9177.8-59.9178.7000109.8I427 L599 P600 R601I427-I603 HydrophobicContact CB-CG2 3.87Å; I427-I603 HydrophobicContact CD1-CG2 4.38Å; I427-I603 HydrophobicContact CG1-CG2 4.06Å; I427-I603 VanDerWaalsContact O-CG2 3.26Å; I427-I603 WeakPolarHBondContact O-CG2 3.39Å; L599-I603 HydrophobicContact CD1-CB 4.47Å; L599-I603 HydrophobicContact CD1-CG2 4.31Å; P600-I603 HydrophobicContact CB-CD1 4.37Å; P600-I603 HydrophobicContact CB-CG1 4.37Å; P600-I603 HydrophobicContact CG-CD1 4.25Å; P600-I603 WeakPolarHBondContact O-CB 3.44Å; P600-I603 PolarHBondContact O-N 3.43Å; R601-I603 PolarHBondContact O-N 2.99Å
604C94.3Very high92.5Very high1 Ų133.5 Ų33.51%0.00716%0.158CC..  trans-149.4124179179.70000109.1I427 L568 Q595 L599 P600 R601 R606I427-C604 HydrophobicContact CD1-CB 4.46Å; L568-C604 HydrophobicContact CD2-CB 4.02Å; L568-C604 HydrophobicContact CG-CB 4.25Å; Q595-C604 PolarHBondContact NE2-O 3.4Å; L599-C604 HydrophobicContact CD2-CB 3.74Å; L599-C604 HydrophobicContact CG-CB 4.28Å; P600-C604 PolarHBondContact O-N 3.2Å; R601-C604 WeakPolarHBondContact CA-O 3.28Å; R601-C604 CarbonylContact O-C 3.52Å; C604-R606 PolarHBondContact O-N 3.44Å; C604-R606 PolarHBondContact SG-O 3.3Å; C604-R606 VanDerWaalsContact SG-O 3.38Å
605R93.4Very high92.7Very high148 Ų14832.1 Ų32.156%0.55815%0.15SC*.SBendtrans-62.5-38.3-171.1-174.4-163.2172.498.6-2.8112.7E569 Q595 R601E569-R605 WeakPolarHBondContact O-CB 3.49Å; E569-R605 PolarHBondContact O-N 3.42Å; E569-R605 WeakPolarHBondContact OE1-CD 3.21Å; E569-R605 IonicContact OE1-NE 3.39Å; E569-R605 PolarHBondContact OE1-NE 3.13Å; Q595-R605 PolarHBondContact NE2-O 2.98Å; R601-R605 WeakPolarHBondContact CG-O 3.43Å
606R95.5Very high92.5Very high28 Ų2835.1 Ų35.111%0.10617%0.17CC..EExtended strand (participates in β ladder)trans-139.8136.1178.3-65.9-69.4-80139.8-1.7112.3E569 N570 L571 C604 F608 C784 R785E569-R606 PolarHBondContact O-N 3.24Å; N570-R606 CarbonylContact C-O 3.52Å; N570-R606 WeakPolarHBondContact CA-O 3.17Å; L571-R606 PolarHBondContact N-O 2.77Å; C604-R606 PolarHBondContact O-N 3.44Å; C604-R606 PolarHBondContact SG-O 3.3Å; C604-R606 VanDerWaalsContact SG-O 3.38Å; R606-F608 HydrophobicContact CB-CD2 4.31Å; R606-F608 HydrophobicContact CB-CE2 3.48Å; R606-F608 VanDerWaalsContact CB-CE2 3.48Å; R606-F608 HydrophobicContact CB-CZ 3.64Å; R606-F608 HydrophobicContact CG-CE2 4.4Å; R606-F608 HydrophobicContact CG-CZ 4.12Å; R606-C784 VanDerWaalsContact CZ-CB 3.41Å; R606-C784 VanDerWaalsContact NH1-CB 3.31Å; R606-R785 PolarHBondContact NH2-O 3.35Å
607I96.9Very high92.4Very high0 Ų034.6 Ų34.60%017%0.168CC..EExtended strand (participates in β ladder)trans-109.2133.2165.3-173.2171.4000109.7L571 L578 Q595 L599 L621 L786L571-I607 HydrophobicContact CD2-CD1 4.2Å; L571-I607 HydrophobicContact CD2-CG1 4.36Å; L571-I607 HydrophobicContact CG-CG1 4.43Å; L571-I607 WeakPolarHBondContact O-CA 3.46Å; L578-I607 HydrophobicContact CD2-CD1 4.15Å; Q595-I607 HydrophobicContact CB-CG2 4.36Å; L599-I607 HydrophobicContact CD2-CB 4Å; L599-I607 HydrophobicContact CD2-CD1 4.18Å; L599-I607 HydrophobicContact CD2-CG1 4.49Å; I607-L621 HydrophobicContact CD1-CD1 3.86Å; I607-L621 HydrophobicContact CG1-CD1 4.41Å; I607-L786 HydrophobicContact CG2-CD2 3.76Å; I607-L786 HydrophobicContact CG2-CG 4.26Å
608F97.6Very high92.7Very high0 Ų034.5 Ų34.50%017%0.168CC..EExtended strand (participates in β ladder)trans-119.6123.5176.7-57.8-84.6000109N570 L571 F572 C573 R606 I610 F788 F818 Y822N570-F608 HydrophobicContact CB-CD2 4.37Å; N570-F608 HydrophobicContact CB-CE2 3.95Å; N570-F608 WeakPolarHBondContact OD1-CE2 3.32Å; L571-F608 PolarHBondContact O-N 2.87Å; F572-F608 HydrophobicContact CD1-CB 3.84Å; F572-F608 AromaticContact CD1-CD2 3.59Å; F572-F608 HydrophobicContact CD1-CD2 3.59Å; F572-F608 HydrophobicContact CD1-CE2 4.41Å; F572-F608 AromaticContact CD1-CG 3.9Å; F572-F608 HydrophobicContact CD1-CG 3.9Å; F572-F608 HydrophobicContact CE1-CB 4.38Å; F572-F608 AromaticContact CE1-CD2 3.44Å; F572-F608 HydrophobicContact CE1-CD2 3.44Å; F572-F608 VanDerWaalsContact CE1-CD2 3.44Å; F572-F608 AromaticContact CE1-CE2 3.81Å; F572-F608 HydrophobicContact CE1-CE2 3.81Å; F572-F608 AromaticContact CE1-CG 3.93Å; F572-F608 HydrophobicContact CE1-CG 3.93Å; F572-F608 HydrophobicContact CG-CD2 4.32Å; F572-F608 HydrophobicContact CZ-CD2 4.07Å; F572-F608 HydrophobicContact CZ-CE2 4.11Å; C573-F608 WeakPolarHBondContact CB-O 3.35Å; C573-F608 PolarHBondContact N-O 3.07Å; R606-F608 HydrophobicContact CB-CD2 4.31Å; R606-F608 HydrophobicContact CB-CE2 3.48Å; R606-F608 VanDerWaalsContact CB-CE2 3.48Å; R606-F608 HydrophobicContact CB-CZ 3.64Å; R606-F608 HydrophobicContact CG-CE2 4.4Å; R606-F608 HydrophobicContact CG-CZ 4.12Å; F608-I610 HydrophobicContact CB-CD1 4.43Å; F608-I610 HydrophobicContact CB-CG1 4.46Å; F608-F788 HydrophobicContact CD1-CD2 4.29Å; F608-F788 AromaticContact CD1-CE2 3.65Å; F608-F788 HydrophobicContact CD1-CE2 3.65Å; F608-F788 HydrophobicContact CD1-CZ 4.21Å; F608-F788 HydrophobicContact CE1-CE2 4.4Å; F608-F818 HydrophobicContact CB-CE1 4.43Å; F608-F818 HydrophobicContact CD1-CE1 4.11Å; F608-F818 AromaticContact CD1-CZ 3.96Å; F608-F818 HydrophobicContact CD1-CZ 3.96Å; F608-F818 HydrophobicContact CG-CE1 4.34Å; F608-Y822 HydrophobicContact CD1-CE2 4.42Å; F608-Y822 AromaticContact CE1-CD1 3.72Å; F608-Y822 HydrophobicContact CE1-CD1 3.72Å; F608-Y822 HydrophobicContact CE1-CD2 4.07Å; F608-Y822 AromaticContact CE1-CE1 3.49Å; F608-Y822 HydrophobicContact CE1-CE1 3.49Å; F608-Y822 VanDerWaalsContact CE1-CE1 3.49Å; F608-Y822 AromaticContact CE1-CE2 3.86Å; F608-Y822 HydrophobicContact CE1-CE2 3.86Å; F608-Y822 AromaticContact CE1-CG 4Å; F608-Y822 HydrophobicContact CE1-CG 4Å; F608-Y822 AromaticContact CE1-CZ 3.55Å; F608-Y822 HydrophobicContact CE2-CD1 4.45Å; F608-Y822 HydrophobicContact CE2-CG 4.46Å; F608-Y822 AromaticContact CZ-CD1 3.43Å; F608-Y822 HydrophobicContact CZ-CD1 3.43Å; F608-Y822 VanDerWaalsContact CZ-CD1 3.43Å; F608-Y822 HydrophobicContact CZ-CD2 4.26Å; F608-Y822 AromaticContact CZ-CE1 3.66Å; F608-Y822 HydrophobicContact CZ-CE1 3.66Å; F608-Y822 HydrophobicContact CZ-CE2 4.45Å; F608-Y822 AromaticContact CZ-CG 3.75Å; F608-Y822 HydrophobicContact CZ-CG 3.75Å
609N97.9Very high93Very high0 Ų039.8 Ų39.80%019%0.189CC..EExtended strand (participates in β ladder)trans-104.2104.9174.9-173.745.6000109.5Y619 L621 L786 D787 F788N609-Y619 PolarHBondContact ND2-O 3.09Å; N609-L621 HydrophobicContact CB-CD1 3.84Å; N609-L621 HydrophobicContact CB-CG 3.96Å; N609-L786 WeakPolarHBondContact CB-O 3.27Å; N609-L786 PolarHBondContact N-O 3.13Å; N609-D787 PolarHBondContact ND2-OD1 3.05Å; N609-F788 PolarHBondContact O-N 3.33Å
610I97.7Very high93.3Very high0 Ų041.9 Ų41.90%020%0.197CC..EExtended strand (participates in β ladder)trans-110.7127-172.8-60.9161.3000109.3F572 C573 L574 G575 F608 I637 F788 I815 F818F572-I610 HydrophobicContact CD1-CD1 4.05Å; C573-I610 PolarHBondContact O-N 2.94Å; L574-I610 WeakPolarHBondContact CA-O 3.06Å; L574-I610 HydrophobicContact CD2-CB 3.77Å; L574-I610 HydrophobicContact CD2-CD1 3.64Å; L574-I610 HydrophobicContact CD2-CG1 4.28Å; L574-I610 HydrophobicContact CD2-CG2 4.09Å; G575-I610 PolarHBondContact N-O 2.9Å; F608-I610 HydrophobicContact CB-CD1 4.43Å; F608-I610 HydrophobicContact CB-CG1 4.46Å; I610-I637 HydrophobicContact CG1-CD1 4.46Å; I610-I637 HydrophobicContact CG2-CD1 3.65Å; I610-F788 WeakPolarHBondContact CA-O 3.31Å; I610-F788 HydrophobicContact CG1-CB 4.2Å; I610-I815 HydrophobicContact CG2-CD1 4.23Å; I610-I815 HydrophobicContact CG2-CG1 4.34Å; I610-F818 HydrophobicContact CD1-CD1 3.74Å; I610-F818 HydrophobicContact CD1-CE1 3.64Å; I610-F818 HydrophobicContact CG1-CD1 4.49Å; I610-F818 HydrophobicContact CG1-CE1 4.13Å
611Y96Very high93.5Very high17 Ų1741.4 Ų41.47%0.06719%0.194CC..EExtended strand (participates in β ladder)trans-149.3157.4-179.359-87.4000114.1A618 R620 P634 D787 F788 Q789 L790 Y809Y611-A618 VanDerWaalsContact CB-CB 3.43Å; Y611-A618 HydrophobicContact CG-CB 4.15Å; Y611-R620 HydrophobicContact CE1-CG 4.09Å; Y611-R620 VanDerWaalsContact OH-CD 3.28Å; Y611-R620 WeakPolarHBondContact OH-CD 3.08Å; Y611-R620 WeakPolarHBondContact OH-CG 3.45Å; Y611-P634 WeakPolarHBondContact OH-CB 3.38Å; Y611-P634 VanDerWaalsContact OH-CG 3.22Å; Y611-P634 WeakPolarHBondContact OH-CG 3.46Å; Y611-D787 HydrophobicContact CE1-CB 4.06Å; Y611-F788 PolarHBondContact N-O 2.76Å; Y611-Q789 HydrophobicContact CD2-CG 4.26Å; Y611-Q789 HydrophobicContact CE2-CB 4.15Å; Y611-Q789 HydrophobicContact CE2-CG 3.95Å; Y611-Q789 CarbonylContact O-C 3.52Å; Y611-Q789 VanDerWaalsContact O-CA 3.31Å; Y611-Q789 WeakPolarHBondContact O-CA 3.31Å; Y611-L790 PolarHBondContact O-N 2.85Å; Y611-Y809 WeakPolarHBondContact CA-OH 3.44Å
612H92.7Very high93.6Very high16 Ų1638 Ų387%0.07418%0.181CC..  trans-90139.3166-171.8-87.3000109.6A614 D615 L790 E796 S805 Y809H612-A614 WeakPolarHBondContact ND1-CB 3.47Å; H612-A614 PolarHBondContact ND1-N 2.9Å; H612-A614 PolarHBondContact O-N 2.98Å; H612-A614 VanDerWaalsContact O-N 3.13Å; H612-D615 HydrophobicContact CB-CB 4.31Å; H612-D615 WeakPolarHBondContact O-CB 3.13Å; H612-D615 PolarHBondContact O-N 2.93Å; H612-L790 HydrophobicContact CB-CD1 4.3Å; H612-E796 IonicContact NE2-OE2 3.36Å; H612-E796 PolarHBondContact NE2-OE2 2.95Å; H612-S805 WeakPolarHBondContact ND1-CB 3.47Å; H612-Y809 PolarHBondContact N-OH 2.95Å
613P91.7Very high93.8Very high65 Ų6530.9 Ų30.942%0.42215%0.153SC..THydrogen-bonded Turntrans-63-22.6-176.924.1-34.6000114.2Q789P613-Q789 HydrophobicContact CB-CG 4.31Å; P613-Q789 HydrophobicContact CG-CG 4.31Å
614A87.9Confident93.8Very high10 Ų1030 Ų308%0.08315%0.148CC..THydrogen-bonded Turntrans-90.7-1.3175.900000114H612 P616 M798 L802H612-A614 WeakPolarHBondContact ND1-CB 3.47Å; H612-A614 PolarHBondContact ND1-N 2.9Å; H612-A614 PolarHBondContact O-N 2.98Å; H612-A614 VanDerWaalsContact O-N 3.13Å; A614-P616 VanDerWaalsContact O-CD 3.32Å; A614-P616 WeakPolarHBondContact O-CD 3.31Å; A614-M798 HydrophobicContact CB-SD 3.86Å; A614-L802 WeakPolarHBondContact O-CA 3.44Å; A614-L802 WeakPolarHBondContact O-CD1 3.37Å
615D89.2Confident93.7Very high9 Ų930 Ų305%0.04815%0.148CC..  trans-74.8114.4179.9-175.7-16.2000110.1G575 H612 V617 A618 S805 H806 Y809G575-D615 VanDerWaalsContact CA-OD2 3.29Å; G575-D615 WeakPolarHBondContact CA-OD2 3.33Å; H612-D615 HydrophobicContact CB-CB 4.31Å; H612-D615 WeakPolarHBondContact O-CB 3.13Å; H612-D615 PolarHBondContact O-N 2.93Å; D615-V617 PolarHBondContact O-N 2.78Å; D615-V617 WeakPolarHBondContact OD1-CB 3.14Å; D615-V617 PolarHBondContact OD1-N 3.47Å; D615-A618 HydrophobicContact CB-CB 3.95Å; D615-A618 PolarHBondContact O-N 3.03Å; D615-S805 WeakPolarHBondContact CA-OG 3.34Å; D615-S805 PolarHBondContact N-OG 3.32Å; D615-H806 IonicContact OD1-CG 2.73Å; D615-H806 IonicContact OD1-ND1 3.28Å; D615-H806 PolarHBondContact OD1-ND1 2.84Å; D615-H806 IonicContact OD2-CG 2.96Å; D615-H806 IonicContact OD2-ND1 2.75Å; D615-H806 PolarHBondContact OD2-ND1 3.46Å; D615-Y809 WeakPolarHBondContact CB-OH 3.38Å; D615-Y809 WeakPolarHBondContact OD2-CE2 3.41Å; D615-Y809 PolarHBondContact OD2-OH 2.98Å
616P87Confident93.5Very high67 Ų6723.4 Ų23.444%0.43512%0.124SC..THydrogen-bonded Turntrans-74.6-12.1-175.131.9-35000113.6A614 L802A614-P616 VanDerWaalsContact O-CD 3.32Å; A614-P616 WeakPolarHBondContact O-CD 3.31Å; P616-L802 HydrophobicContact CB-CD1 4.13Å; P616-L802 HydrophobicContact CG-CD1 4.13Å
617V88Confident93.3Very high45 Ų4529.7 Ų29.727%0.27315%0.152SC..THydrogen-bonded Turntrans-93.5-21.1-179.5-177.60000111.5S576 P577 D615 Y619 H806S576-V617 CarbonylContact C-O 3.54Å; P577-V617 WeakPolarHBondContact CA-O 3.2Å; P577-V617 HydrophobicContact CB-CG1 4.05Å; P577-V617 HydrophobicContact CG-CG1 4.1Å; D615-V617 PolarHBondContact O-N 2.78Å; D615-V617 WeakPolarHBondContact OD1-CB 3.14Å; D615-V617 PolarHBondContact OD1-N 3.47Å; V617-Y619 WeakPolarHBondContact O-CD2 3.34Å; V617-H806 VanDerWaalsContact CB-CE1 3.5Å; V617-H806 WeakPolarHBondContact CB-CE1 3.22Å
618A93.2Very high93Very high17 Ų1734.9 Ų34.914%0.1417%0.172CC..  trans-79.9135.2-17300000113.1S576 Y611 D615S576-A618 WeakPolarHBondContact O-CA 3.42Å; Y611-A618 VanDerWaalsContact CB-CB 3.43Å; Y611-A618 HydrophobicContact CG-CB 4.15Å; D615-A618 HydrophobicContact CB-CB 3.95Å; D615-A618 PolarHBondContact O-N 3.03Å
619Y96.1Very high92.7Very high115 Ų11535 Ų3545%0.45117%0.173SC..  trans-131.8149.4175.5-70.4-97.3000112S576 V580 N609 V617S576-Y619 PolarHBondContact O-N 3.35Å; V580-Y619 HydrophobicContact CB-CD2 4.44Å; V580-Y619 HydrophobicContact CG2-CD1 3.32Å; V580-Y619 HydrophobicContact CG2-CD2 3.55Å; V580-Y619 HydrophobicContact CG2-CE1 3.37Å; V580-Y619 HydrophobicContact CG2-CE2 3.61Å; V580-Y619 HydrophobicContact CG2-CG 3.41Å; V580-Y619 VanDerWaalsContact CG2-CG 3.41Å; N609-Y619 PolarHBondContact ND2-O 3.09Å; V617-Y619 WeakPolarHBondContact O-CD2 3.34Å
620R96.9Very high92.5Very high45 Ų4538 Ų3817%0.1719%0.194CC..  trans-74.6148.5-179-72.7-17067-177.26113.4Y611 E622 P623 Y629 V632 D787Y611-R620 HydrophobicContact CE1-CG 4.09Å; Y611-R620 VanDerWaalsContact OH-CD 3.28Å; Y611-R620 WeakPolarHBondContact OH-CD 3.08Å; Y611-R620 WeakPolarHBondContact OH-CG 3.45Å; R620-E622 IonicContact NH2-OE2 3.91Å; R620-E622 PolarHBondContact NH2-OE2 2.79Å; R620-E622 VanDerWaalsContact NH2-OE2 3.12Å; R620-P623 HydrophobicContact CB-CG 4.06Å; R620-Y629 PolarHBondContact NH1-O 3.45Å; R620-Y629 PolarHBondContact NH2-O 3.41Å; R620-Y629 VanDerWaalsContact NH2-O 3.12Å; R620-V632 PolarHBondContact NH1-O 2.82Å; R620-V632 PolarHBondContact NH2-O 3.02Å; R620-D787 VanDerWaalsContact CB-OD2 3.27Å; R620-D787 WeakPolarHBondContact CB-OD2 3.41Å; R620-D787 IonicContact CZ-OD2 3.76Å; R620-D787 IonicContact NE-OD2 3.83Å; R620-D787 PolarHBondContact NE-OD2 3.1Å; R620-D787 IonicContact NH2-OD2 2.88Å
621L95.8Very high92.2Very high0 Ų040.9 Ų40.90%021%0.212CC..SBendtrans-105.6-36.5175.1-64.4-172.9000113.3L578 L582 I598 I607 N609 P623 L624 D787L578-L621 HydrophobicContact CD2-CD1 4.47Å; L578-L621 HydrophobicContact CG-CD2 4.42Å; L582-L621 HydrophobicContact CD1-CD2 3.89Å; I598-L621 HydrophobicContact CD1-CB 4.31Å; I607-L621 HydrophobicContact CD1-CD1 3.86Å; I607-L621 HydrophobicContact CG1-CD1 4.41Å; N609-L621 HydrophobicContact CB-CD1 3.84Å; N609-L621 HydrophobicContact CB-CG 3.96Å; L621-P623 VanDerWaalsContact C-CD 3.43Å; L621-P623 VanDerWaalsContact C-N 3.34Å; L621-L624 HydrophobicContact CD2-CD1 4.4Å; L621-L624 VanDerWaalsContact O-CB 3.3Å; L621-L624 WeakPolarHBondContact O-CB 3.36Å; L621-L624 PolarHBondContact O-N 2.85Å; L621-D787 PolarHBondContact N-OD1 3.26Å; L621-D787 PolarHBondContact N-OD2 3.33Å
622E95.5Very high92Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-55.4-41.2-175.6-65175.4156.600113.5R620 L624 I625 L626 Y629 L782 R785 L786 D787R620-E622 IonicContact NH2-OE2 3.91Å; R620-E622 PolarHBondContact NH2-OE2 2.79Å; R620-E622 VanDerWaalsContact NH2-OE2 3.12Å; E622-L624 PolarHBondContact O-N 3.24Å; E622-L624 VanDerWaalsContact O-N 3.14Å; E622-I625 PolarHBondContact O-N 3.23Å; E622-L626 PolarHBondContact O-N 3.38Å; E622-L626 VanDerWaalsContact O-N 3.12Å; E622-Y629 HydrophobicContact CB-CD1 3.79Å; E622-Y629 HydrophobicContact CB-CG 4.04Å; E622-Y629 HydrophobicContact CG-CD1 4.2Å; E622-Y629 WeakPolarHBondContact OE2-CD1 3.46Å; E622-L782 HydrophobicContact CB-CD1 3.87Å; E622-L782 HydrophobicContact CG-CD1 3.76Å; E622-R785 WeakPolarHBondContact OE1-CA 3.36Å; E622-R785 IonicContact OE1-CZ 2.69Å; E622-R785 IonicContact OE1-NE 3.56Å; E622-R785 PolarHBondContact OE1-NE 2.89Å; E622-R785 IonicContact OE1-NH2 3.75Å; E622-R785 PolarHBondContact OE1-NH2 3.39Å; E622-R785 IonicContact OE2-CZ 3.52Å; E622-R785 IonicContact OE2-NE 3.51Å; E622-R785 IonicContact OE2-NH2 2.82Å; E622-R785 PolarHBondContact OE2-NH2 3.27Å; E622-L786 HydrophobicContact CG-CB 3.86Å; E622-L786 PolarHBondContact OE1-N 3.36Å; E622-D787 WeakPolarHBondContact CB-OD2 3.45Å; E622-D787 HydrophobicContact CG-CB 3.88Å; E622-D787 WeakPolarHBondContact CG-OD2 3.33Å; E622-D787 PolarHBondContact N-OD2 3.44Å; E622-D787 PolarHBondContact OE1-N 3.17Å; E622-D787 VanDerWaalsContact OE1-N 3.08Å
623P94Very high92.1Very high27 Ų2742.2 Ų42.218%0.17522%0.219CC..Hα-helixtrans-62.2-20.2177.2-23.635.6000114.2P589 R620 L621P589-P623 WeakPolarHBondContact CG-O 3.34Å; R620-P623 HydrophobicContact CB-CG 4.06Å; L621-P623 VanDerWaalsContact C-CD 3.43Å; L621-P623 VanDerWaalsContact C-N 3.34Å
624L92.4Very high92.2Very high20 Ų2039.5 Ų39.511%0.10520%0.201CC..Hα-helixtrans-80.9-17.7176.4-56.8-179.3000113G579 L582 V583 P589 I598 L621 E622G579-L624 WeakPolarHBondContact O-CD1 3.26Å; L582-L624 HydrophobicContact CB-CD1 3.98Å; L582-L624 HydrophobicContact CD1-CD1 4.23Å; V583-L624 HydrophobicContact CG2-CD1 4.18Å; V583-L624 HydrophobicContact CG2-CD2 3.3Å; V583-L624 HydrophobicContact CG2-CG 4.38Å; P589-L624 VanDerWaalsContact CA-O 3.25Å; P589-L624 WeakPolarHBondContact CA-O 3.5Å; I598-L624 HydrophobicContact CD1-CB 4.01Å; L621-L624 HydrophobicContact CD2-CD1 4.4Å; L621-L624 VanDerWaalsContact O-CB 3.3Å; L621-L624 WeakPolarHBondContact O-CB 3.36Å; L621-L624 PolarHBondContact O-N 2.85Å; E622-L624 PolarHBondContact O-N 3.24Å; E622-L624 VanDerWaalsContact O-N 3.14Å
625I91.5Very high92.5Very high0 Ų039.2 Ų39.20%020%0.198CC..Hα-helixtrans-88.1-60.8173.3-54.4178.3000108.5G590 F592 T594 I598 E622 L782 L786G590-I625 PolarHBondContact N-O 3.47Å; G590-I625 VanDerWaalsContact O-O 3.11Å; F592-I625 HydrophobicContact CB-CG2 3.99Å; F592-I625 WeakPolarHBondContact O-CG2 3.17Å; T594-I625 WeakPolarHBondContact O-CG2 3.15Å; I598-I625 HydrophobicContact CD1-CD1 3.96Å; I598-I625 HydrophobicContact CD1-CG1 3.43Å; I598-I625 VanDerWaalsContact CD1-CG1 3.43Å; I598-I625 HydrophobicContact CG1-CG1 4Å; E622-I625 PolarHBondContact O-N 3.23Å; I625-L782 HydrophobicContact CB-CD2 3.95Å; I625-L782 HydrophobicContact CD1-CD2 4.34Å; I625-L782 HydrophobicContact CG2-CD2 3.48Å; I625-L782 VanDerWaalsContact CG2-CD2 3.48Å; I625-L786 HydrophobicContact CD1-CD1 4.13Å; I625-L786 HydrophobicContact CD1-CD2 3.54Å; I625-L786 HydrophobicContact CD1-CG 4.49Å
626L90.9Very high92.8Very high11 Ų1142 Ų426%0.05821%0.213CC..  trans-123.5117.2179.6-74.5178.1000110.1F592 Q593 E622 Y628 Y629 L782F592-L626 WeakPolarHBondContact O-CD2 3.42Å; F592-L626 WeakPolarHBondContact O-CG 3.36Å; Q593-L626 HydrophobicContact CG-CD1 4.49Å; E622-L626 PolarHBondContact O-N 3.38Å; E622-L626 VanDerWaalsContact O-N 3.12Å; L626-Y628 PolarHBondContact O-N 2.95Å; L626-Y628 VanDerWaalsContact O-N 3.08Å; L626-Y629 HydrophobicContact CB-CD2 3.87Å; L626-Y629 HydrophobicContact CB-CE2 4.48Å; L626-Y629 HydrophobicContact CD1-CD2 4.31Å; L626-Y629 HydrophobicContact CD1-CE2 4.09Å; L626-Y629 WeakPolarHBondContact O-CB 3.42Å; L626-Y629 PolarHBondContact O-N 3.16Å; L626-L782 HydrophobicContact CB-CD2 4.4Å; L626-L782 HydrophobicContact CD1-CD2 3.64Å; L626-L782 HydrophobicContact CD1-CG 4Å; L626-L782 HydrophobicContact CG-CD2 3.89Å
627K90.9Very high93.2Very high160 Ų16038.9 Ų38.970%0.69619%0.193SC*.G310 helixtrans-55.3-33.1-178.3-173.7178.2177.9-1770113.1P589 Y629 S630P589-K627 HydrophobicContact CB-CB 3.95Å; P589-K627 HydrophobicContact CG-CB 4.26Å; K627-Y629 PolarHBondContact O-N 2.85Å; K627-S630 VanDerWaalsContact O-CB 3.31Å; K627-S630 WeakPolarHBondContact O-CB 3.45Å; K627-S630 PolarHBondContact O-N 2.72Å; K627-S630 PolarHBondContact O-OG 2.67Å
628Y90.2Very high93.4Very high108 Ų10837.8 Ų37.842%0.42419%0.185SC..G310 helixtrans-56.6-30.3176.5172.1-116.5000112.8L626 S630 T631 V632 E655L626-Y628 PolarHBondContact O-N 2.95Å; L626-Y628 VanDerWaalsContact O-N 3.08Å; Y628-S630 PolarHBondContact O-N 2.69Å; Y628-T631 WeakPolarHBondContact CE2-OG1 3.42Å; Y628-T631 PolarHBondContact O-N 2.95Å; Y628-T631 PolarHBondContact O-OG1 3.38Å; Y628-V632 HydrophobicContact CD1-CG2 4.11Å; Y628-V632 HydrophobicContact CE1-CG2 3.68Å; Y628-V632 HydrophobicContact CE2-CG2 4.46Å; Y628-E655 WeakPolarHBondContact CE2-OE1 3.47Å; Y628-E655 PolarHBondContact OH-OE1 2.76Å
629Y92.6Very high93.4Very high2 Ų240.9 Ų40.91%0.00819%0.193CC..G310 helixtrans-68-4.7177.4-83.5-109.4000114.2R620 E622 L626 K627 T631 V632 L653 L782R620-Y629 PolarHBondContact NH1-O 3.45Å; R620-Y629 PolarHBondContact NH2-O 3.41Å; R620-Y629 VanDerWaalsContact NH2-O 3.12Å; E622-Y629 HydrophobicContact CB-CD1 3.79Å; E622-Y629 HydrophobicContact CB-CG 4.04Å; E622-Y629 HydrophobicContact CG-CD1 4.2Å; E622-Y629 WeakPolarHBondContact OE2-CD1 3.46Å; L626-Y629 HydrophobicContact CB-CD2 3.87Å; L626-Y629 HydrophobicContact CB-CE2 4.48Å; L626-Y629 HydrophobicContact CD1-CD2 4.31Å; L626-Y629 HydrophobicContact CD1-CE2 4.09Å; L626-Y629 WeakPolarHBondContact O-CB 3.42Å; L626-Y629 PolarHBondContact O-N 3.16Å; K627-Y629 PolarHBondContact O-N 2.85Å; Y629-T631 VanDerWaalsContact C-N 3.28Å; Y629-V632 HydrophobicContact CD1-CB 4.17Å; Y629-V632 HydrophobicContact CD1-CG1 4.26Å; Y629-V632 HydrophobicContact CE1-CG1 4.34Å; Y629-V632 HydrophobicContact CG-CB 4.4Å; Y629-V632 PolarHBondContact O-N 3.15Å; Y629-L653 HydrophobicContact CE1-CD2 4.39Å; Y629-L782 HydrophobicContact CD1-CD1 3.79Å; Y629-L782 HydrophobicContact CD1-CG 4.48Å; Y629-L782 HydrophobicContact CD2-CD1 4.14Å; Y629-L782 HydrophobicContact CD2-CG 4.12Å; Y629-L782 HydrophobicContact CE1-CB 4.4Å; Y629-L782 HydrophobicContact CE1-CD1 3.63Å; Y629-L782 HydrophobicContact CE1-CG 4.03Å; Y629-L782 HydrophobicContact CE2-CB 4.34Å; Y629-L782 HydrophobicContact CE2-CD1 4.03Å; Y629-L782 HydrophobicContact CE2-CG 3.67Å; Y629-L782 HydrophobicContact CG-CD1 4.03Å; Y629-L782 PolarHBondContact OH-N 3.19Å; Y629-L782 VanDerWaalsContact OH-N 3.09Å
630S92.1Very high93.1Very high65 Ų6536.8 Ų36.846%0.45518%0.179SC..G310 helixtrans-65.5-28.516561.90000113.3K627 Y628K627-S630 VanDerWaalsContact O-CB 3.31Å; K627-S630 WeakPolarHBondContact O-CB 3.45Å; K627-S630 PolarHBondContact O-N 2.72Å; K627-S630 PolarHBondContact O-OG 2.67Å; Y628-S630 PolarHBondContact O-N 2.69Å
631T91.7Very high92.8Very high60 Ų6040.1 Ų40.137%0.36820%0.201SC..THydrogen-bonded Turntrans-92.5-13.6175.863.50000112.8Y628 Y629 E655 Y656Y628-T631 WeakPolarHBondContact CE2-OG1 3.42Å; Y628-T631 PolarHBondContact O-N 2.95Å; Y628-T631 PolarHBondContact O-OG1 3.38Å; Y629-T631 VanDerWaalsContact C-N 3.28Å; T631-E655 CarbonylContact O-C 3.55Å; T631-E655 VanDerWaalsContact O-CA 3.27Å; T631-E655 WeakPolarHBondContact O-CA 3.45Å; T631-Y656 VanDerWaalsContact O-CD2 3.27Å; T631-Y656 WeakPolarHBondContact O-CD2 3.43Å; T631-Y656 PolarHBondContact O-N 3.49Å
632V92.4Very high92.4Very high0 Ų041.5 Ų41.50%021%0.212CC..BIsolated β-bridgetrans-91.4134.3178.5-176.40000110.1R620 Y628 Y629 L653R620-V632 PolarHBondContact NH1-O 2.82Å; R620-V632 PolarHBondContact NH2-O 3.02Å; Y628-V632 HydrophobicContact CD1-CG2 4.11Å; Y628-V632 HydrophobicContact CE1-CG2 3.68Å; Y628-V632 HydrophobicContact CE2-CG2 4.46Å; Y629-V632 HydrophobicContact CD1-CB 4.17Å; Y629-V632 HydrophobicContact CD1-CG1 4.26Å; Y629-V632 HydrophobicContact CE1-CG1 4.34Å; Y629-V632 HydrophobicContact CG-CB 4.4Å; Y629-V632 PolarHBondContact O-N 3.15Å; V632-L653 HydrophobicContact CG1-CB 4.21Å; V632-L653 HydrophobicContact CG1-CD2 4.13Å
633Q94.1Very high91.9Very high61 Ų6147.1 Ų47.129%0.28526%0.258SS..PPolyproline II helixtrans-70.3145.5175.9-63.7-175.548.200111.1L654 E655 Y656 R785Q633-L654 HydrophobicContact CB-CB 4.38Å; Q633-L654 WeakPolarHBondContact CB-O 3.32Å; Q633-L654 HydrophobicContact CG-CB 4.46Å; Q633-L654 WeakPolarHBondContact CG-O 3.26Å; Q633-L654 PolarHBondContact N-O 3.45Å; Q633-E655 PolarHBondContact NE2-O 2.73Å; Q633-E655 VanDerWaalsContact NE2-O 3.07Å; Q633-Y656 HydrophobicContact CG-CD1 3.78Å; Q633-Y656 HydrophobicContact CG-CD2 4.2Å; Q633-Y656 HydrophobicContact CG-CE1 3.63Å; Q633-Y656 HydrophobicContact CG-CE2 4.05Å; Q633-Y656 HydrophobicContact CG-CG 4.06Å; Q633-R785 PolarHBondContact O-NH2 2.9Å
634P94.5Very high91.5Very high7 Ų750 Ų505%0.04528%0.28CS..PPolyproline II helixtrans-59.3155.917029.2-37.4000111.7Y611 L636 Y656 D787 Q789Y611-P634 WeakPolarHBondContact OH-CB 3.38Å; Y611-P634 VanDerWaalsContact OH-CG 3.22Å; Y611-P634 WeakPolarHBondContact OH-CG 3.46Å; P634-L636 PolarHBondContact O-N 2.88Å; P634-Y656 WeakPolarHBondContact CD-OH 3.29Å; P634-D787 HydrophobicContact CB-CB 4.02Å; P634-Q789 HydrophobicContact CB-CB 3.88Å; P634-Q789 HydrophobicContact CG-CB 3.53Å; P634-Q789 HydrophobicContact CG-CG 4.23Å; P634-Q789 VanDerWaalsContact CG-OE1 3.24Å
635A94.7Very high91.3Very high4 Ų452.3 Ų52.33%0.03329%0.288CS..EExtended strand (participates in β ladder)trans-68.2127.4174.400000109.7L651 D787 F788 Q789A635-L651 HydrophobicContact CB-CD1 4.27Å; A635-D787 PolarHBondContact N-O 3.33Å; A635-F788 HydrophobicContact CB-CD1 3.75Å; A635-F788 HydrophobicContact CB-CE1 3.9Å; A635-F788 CarbonylContact O-C 3.56Å; A635-F788 VanDerWaalsContact O-CA 3.27Å; A635-F788 WeakPolarHBondContact O-CA 3.47Å; A635-Q789 PolarHBondContact O-N 3.13Å
636L94.8Very high91Very high69 Ų6955 Ų5536%0.36131%0.306SS..EExtended strand (participates in β ladder)trans-77127.1178.3-65.8178.4000110.2P634 Q789 Q791P634-L636 PolarHBondContact O-N 2.88Å; L636-Q789 WeakPolarHBondContact CA-O 3.47Å; L636-Q789 HydrophobicContact CD2-CB 4.24Å; L636-Q791 HydrophobicContact CB-CG 4.37Å
637I94.8Very high90.8Very high0 Ų057.8 Ų57.80%033%0.326CS..PPolyproline II helixtrans-67133.6172.4-64.7-179.5000108.6I610 F788 Q789 L790 Q791 D814 F818I610-I637 HydrophobicContact CG1-CD1 4.46Å; I610-I637 HydrophobicContact CG2-CD1 3.65Å; I637-F788 HydrophobicContact CD1-CB 4Å; I637-F788 HydrophobicContact CG1-CB 3.9Å; I637-Q789 PolarHBondContact N-O 2.99Å; I637-L790 HydrophobicContact CB-CD2 4.3Å; I637-L790 HydrophobicContact CD1-CD2 4.07Å; I637-L790 HydrophobicContact CG2-CD2 4.35Å; I637-Q791 WeakPolarHBondContact O-CG 3.5Å; I637-Q791 PolarHBondContact O-NE2 2.85Å; I637-D814 HydrophobicContact CG2-CB 4.06Å; I637-F818 HydrophobicContact CD1-CD2 4.19Å; I637-F818 HydrophobicContact CD1-CG 4.3Å; I637-F818 HydrophobicContact CG1-CD2 3.98Å; I637-F818 HydrophobicContact CG1-CE2 4.35Å; I637-F818 HydrophobicContact CG2-CB 4.15Å; I637-F818 HydrophobicContact CG2-CD2 4.32Å
638H93.1Very high90.7Very high23 Ų2350.7 Ų50.711%0.10630%0.295CS..PPolyproline II helixtrans-68.4142177-60.6-51.6000110.6K645 P646 Y648H638-K645 HydrophobicContact CB-CB 4.31Å; H638-K645 HydrophobicContact CB-CD 4.28Å; H638-K645 HydrophobicContact CB-CG 3.89Å; H638-P646 PolarHBondContact NE2-O 3.16Å; H638-Y648 AromaticContact CD2-CE1 3.56Å; H638-Y648 AromaticContact CD2-CZ 3.42Å; H638-Y648 VanDerWaalsContact CD2-CZ 3.42Å; H638-Y648 PolarHBondContact CD2-OH 3.28Å; H638-Y648 PolarHBondContact N-OH 3.05Å; H638-Y648 AromaticContact NE2-CE1 3.71Å; H638-Y648 AromaticContact NE2-CZ 4Å
639R92Very high90.2Very high82 Ų8249.7 Ų49.731%0.30930%0.296SS..PPolyproline II helixtrans-64.6143167.8-61.2-174.5173-149.4-17.1110.1D641 A642 K645 D814R639-D641 WeakPolarHBondContact CB-OD1 3.4Å; R639-D641 PolarHBondContact O-N 2.92Å; R639-A642 HydrophobicContact CB-CB 4.29Å; R639-A642 WeakPolarHBondContact O-CB 3.33Å; R639-A642 PolarHBondContact O-N 2.94Å; R639-K645 WeakPolarHBondContact O-CE 3.19Å; R639-D814 WeakPolarHBondContact CA-OD1 3.3Å
640V90.9Very high89.8Confident28 Ų2854.4 Ų54.417%0.1733%0.326CS..THydrogen-bonded Turntrans-56.4-36.4179.167.10000111.5I315 Y319 K645 A813 D814 M817I315-V640 HydrophobicContact CD1-CG2 4.44Å; I315-V640 HydrophobicContact CG1-CG2 4.35Å; Y319-V640 HydrophobicContact CE2-CG2 3.95Å; Y319-V640 PolarHBondContact OH-O 3.37Å; V640-K645 WeakPolarHBondContact O-CE 3.33Å; V640-K645 PolarHBondContact O-NZ 2.86Å; V640-A813 HydrophobicContact CB-CB 4.28Å; V640-A813 HydrophobicContact CG1-CB 3.94Å; V640-D814 PolarHBondContact N-OD1 3.05Å; V640-M817 HydrophobicContact CG2-CB 4.24Å
641D90Very high89.5Confident116 Ų11653.1 Ų53.162%0.6231%0.313SS*.THydrogen-bonded Turntrans-85.8-0.5179.667.2-11.7000114.5R639 A643R639-D641 WeakPolarHBondContact CB-OD1 3.4Å; R639-D641 PolarHBondContact O-N 2.92Å; D641-A643 PolarHBondContact O-N 2.64Å
642A88.3Confident89.2Confident28 Ų2854.6 Ų54.623%0.23132%0.324CS..  trans-64.4130.8-18000000111.5R639 S644 K645R639-A642 HydrophobicContact CB-CB 4.29Å; R639-A642 WeakPolarHBondContact O-CB 3.33Å; R639-A642 PolarHBondContact O-N 2.94Å; A642-S644 VanDerWaalsContact C-N 3.27Å; A642-S644 PolarHBondContact O-N 3.48Å; A642-K645 HydrophobicContact CB-CG 4.41Å; A642-K645 PolarHBondContact O-NZ 3Å
643A85Confident89Confident118 Ų11857.2 Ų57.298%0.97534%0.338SS*.SBendtrans-64.3-28.8-178.700000113.8D641D641-A643 PolarHBondContact O-N 2.64Å
644S84.7Confident88.7Confident89 Ų8958.7 Ų58.762%0.62235%0.347SS*.  trans-127.3132.3175.9-176.30000109.4A642A642-S644 VanDerWaalsContact C-N 3.27Å; A642-S644 PolarHBondContact O-N 3.48Å
645K88.2Confident88.4Confident67 Ų6763.5 Ų63.529%0.29137%0.369SS..  trans-129.873.9178.8-60.1-176.8-17667.40108.7H638 R639 V640 A642 M817H638-K645 HydrophobicContact CB-CB 4.31Å; H638-K645 HydrophobicContact CB-CD 4.28Å; H638-K645 HydrophobicContact CB-CG 3.89Å; R639-K645 WeakPolarHBondContact O-CE 3.19Å; V640-K645 WeakPolarHBondContact O-CE 3.33Å; V640-K645 PolarHBondContact O-NZ 2.86Å; A642-K645 HydrophobicContact CB-CG 4.41Å; A642-K645 PolarHBondContact O-NZ 3Å; K645-M817 HydrophobicContact CD-CE 4.06Å
646P85.4Confident87.8Confident56 Ų5668.8 Ų68.836%0.36439%0.389SS..  trans-57.9153.517925.4-35.5000110.9H638 Y648 L651H638-P646 PolarHBondContact NE2-O 3.16Å; P646-Y648 PolarHBondContact O-N 2.99Å; P646-L651 HydrophobicContact CG-CD2 3.81Å
647C86.1Confident86.6Confident70 Ų7070 Ų7047%0.47340%0.404SS..  trans-52.3133176.4-177.50000110.4D649 T650C647-D649 PolarHBondContact O-N 3.32Å; C647-T650 HydrophobicContact CB-CG2 4.05Å; C647-T650 PolarHBondContact O-N 3.44Å; C647-T650 PolarHBondContact O-OG1 3.45Å
648Y88.6Confident84.7Confident12 Ų1274.2 Ų74.25%0.04745%0.447CS..G310 helixtrans-61.5-31.1-178.1-73.1-69.6000112.8H638 P646 T650 L651 F788 F818 Y822H638-Y648 AromaticContact CD2-CE1 3.56Å; H638-Y648 AromaticContact CD2-CZ 3.42Å; H638-Y648 VanDerWaalsContact CD2-CZ 3.42Å; H638-Y648 PolarHBondContact CD2-OH 3.28Å; H638-Y648 PolarHBondContact N-OH 3.05Å; H638-Y648 AromaticContact NE2-CE1 3.71Å; H638-Y648 AromaticContact NE2-CZ 4Å; P646-Y648 PolarHBondContact O-N 2.99Å; Y648-T650 PolarHBondContact O-N 3.35Å; Y648-L651 HydrophobicContact CD1-CD1 3.69Å; Y648-L651 HydrophobicContact CE1-CD1 4.39Å; Y648-L651 PolarHBondContact O-N 2.99Å; Y648-F788 HydrophobicContact CD1-CD1 4.32Å; Y648-F788 HydrophobicContact CD1-CE1 4.13Å; Y648-F788 HydrophobicContact CG-CE1 4.09Å; Y648-F818 HydrophobicContact CD1-CE2 4.36Å; Y648-F818 HydrophobicContact CD2-CD2 4.1Å; Y648-F818 AromaticContact CD2-CE2 3.89Å; Y648-F818 HydrophobicContact CD2-CE2 3.89Å; Y648-F818 HydrophobicContact CE1-CD2 4.19Å; Y648-F818 HydrophobicContact CE1-CE2 4.25Å; Y648-F818 AromaticContact CE2-CD2 3.46Å; Y648-F818 HydrophobicContact CE2-CD2 3.46Å; Y648-F818 VanDerWaalsContact CE2-CD2 3.46Å; Y648-F818 AromaticContact CE2-CE2 3.75Å; Y648-F818 HydrophobicContact CE2-CE2 3.75Å; Y648-F818 HydrophobicContact CG-CE2 4.21Å; Y648-F818 AromaticContact CZ-CD2 3.52Å; Y648-F818 AromaticContact CZ-CE2 3.95Å; Y648-Y822 WeakPolarHBondContact CB-OH 3.39Å; Y648-Y822 AromaticContact CD2-CE2 3.89Å; Y648-Y822 HydrophobicContact CD2-CE2 3.89Å; Y648-Y822 HydrophobicContact CE2-CE2 4.44Å
649D80.5Confident82Confident86 Ų8681.8 Ų81.846%0.4648%0.479SS..G310 helixtrans-73.6-14.7178.8-60.5-40000112.8C647C647-D649 PolarHBondContact O-N 3.32Å
650T83.7Confident79.3Confident101 Ų10186.2 Ų86.262%0.6250%0.504SS*.G310 helixtrans-1024.4177.768.40000113.1C647 Y648C647-T650 HydrophobicContact CB-CG2 4.05Å; C647-T650 PolarHBondContact O-N 3.44Å; C647-T650 PolarHBondContact O-OG1 3.45Å; Y648-T650 PolarHBondContact O-N 3.35Å
651L86.3Confident76.6Confident38 Ų3894 Ų9420%0.19954%0.535CS..SBendtrans-69.3139.1178.6-69.7178.1000110.7A635 P646 Y648A635-L651 HydrophobicContact CB-CD1 4.27Å; P646-L651 HydrophobicContact CG-CD2 3.81Å; Y648-L651 HydrophobicContact CD1-CD1 3.69Å; Y648-L651 HydrophobicContact CE1-CD1 4.39Å; Y648-L651 PolarHBondContact O-N 2.99Å
652P85.4Confident73.7Confident92 Ų9297.3 Ų97.360%0.59754%0.544SS*.  trans-64.5141.4178.727.3-34.2000111.1L654P652-L654 PolarHBondContact O-N 3.32Å
653L87.8Confident71.1Confident54 Ų54102.9 Ų102.928%0.28357%0.565SS.*  trans-73113.4169.8-60.7-179.1000108.8Y629 V632 Q781Y629-L653 HydrophobicContact CE1-CD2 4.39Å; V632-L653 HydrophobicContact CG1-CB 4.21Å; V632-L653 HydrophobicContact CG1-CD2 4.13Å; L653-Q781 HydrophobicContact CD1-CG 3.86Å
654L88.2Confident68.5Low93 Ų93102.6 Ų102.649%0.48755%0.554SS.*  trans-100126.8177.1-61.4176.4000109.2Q633 P652Q633-L654 HydrophobicContact CB-CB 4.38Å; Q633-L654 WeakPolarHBondContact CB-O 3.32Å; Q633-L654 HydrophobicContact CG-CB 4.46Å; Q633-L654 WeakPolarHBondContact CG-O 3.26Å; Q633-L654 PolarHBondContact N-O 3.45Å; P652-L654 PolarHBondContact O-N 3.32Å
655E87.1Confident65.8Low107 Ų107106.8 Ų106.850%0.556%0.56SS.*BIsolated β-bridgetrans-84155.3171.1-66.5-172.9164.800111.3Y628 T631 Q633 S657Y628-E655 WeakPolarHBondContact CE2-OE1 3.47Å; Y628-E655 PolarHBondContact OH-OE1 2.76Å; T631-E655 CarbonylContact O-C 3.55Å; T631-E655 VanDerWaalsContact O-CA 3.27Å; T631-E655 WeakPolarHBondContact O-CA 3.45Å; Q633-E655 PolarHBondContact NE2-O 2.73Å; Q633-E655 VanDerWaalsContact NE2-O 3.07Å; E655-S657 PolarHBondContact O-N 3.43Å
656Y83.9Confident63.3Low116 Ų116109.8 Ų109.846%0.45559%0.587SS.*  trans-69.3112.9167.6-69.2-76.5000109.4T631 Q633 P634 G658T631-Y656 VanDerWaalsContact O-CD2 3.27Å; T631-Y656 WeakPolarHBondContact O-CD2 3.43Å; T631-Y656 PolarHBondContact O-N 3.49Å; Q633-Y656 HydrophobicContact CG-CD1 3.78Å; Q633-Y656 HydrophobicContact CG-CD2 4.2Å; Q633-Y656 HydrophobicContact CG-CE1 3.63Å; Q633-Y656 HydrophobicContact CG-CE2 4.05Å; Q633-Y656 HydrophobicContact CG-CG 4.06Å; P634-Y656 WeakPolarHBondContact CD-OH 3.29Å; Y656-G658 PolarHBondContact O-N 3.16Å
657S68.3Low60.9Low95 Ų95115.4 Ų115.466%0.66461%0.608SS**  trans-67.3123.4167.867.30000108.4E655 K659E655-S657 PolarHBondContact O-N 3.43Å; S657-K659 PolarHBondContact O-N 2.99Å
658G54.4Low58.2Low88 Ų88119.9 Ų119.991%0.90763%0.627SS**SBendtrans-63.628-177.600000116.9Y656Y656-G658 PolarHBondContact O-N 3.16Å
659K38Very low55.4Low182 Ų182125.3 Ų125.379%0.79167%0.666SS**  trans-98.596.4169-65.1-179.4-177.9176.40107.7S657 F661S657-K659 PolarHBondContact O-N 2.99Å; K659-F661 PolarHBondContact O-N 2.88Å
660E34.7Very low52.9Low175 Ų175132.8 Ų132.882%0.81869%0.687SS**  trans-47.4128.8169.2-75.4-179.1148.600110.5K662E660-K662 VanDerWaalsContact C-N 3.28Å; E660-K662 PolarHBondContact O-N 3.25Å
661F34.4Very low50.2Low191 Ų191134.2 Ų134.284%0.83870%0.695SS**  trans-63.690.5166.2-101.6-95.5000108.5K659 H663K659-F661 PolarHBondContact O-N 2.88Å; F661-H663 VanDerWaalsContact C-N 3.33Å; F661-H663 PolarHBondContact O-N 3.12Å
662K28.3Very low47.6Very low185 Ų185140.1 Ų140.180%0.80473%0.725SS**  trans-64100.3156.9-76-176.2177.7178.40106.8E660E660-K662 VanDerWaalsContact C-N 3.28Å; E660-K662 PolarHBondContact O-N 3.25Å
663H33.9Very low44.9Very low145 Ų145142.4 Ų142.467%0.67173%0.733SS**PPolyproline II helixtrans-50.8127.6170.6-84.4-72.9000109.5F661 K665F661-H663 VanDerWaalsContact C-N 3.33Å; F661-H663 PolarHBondContact O-N 3.12Å; H663-K665 PolarHBondContact O-N 3.39Å
664P30.5Very low42.3Very low113 Ų113145.4 Ų145.473%0.73476%0.755SS**PPolyproline II helixtrans-65.4127.6172.7-10.924.9000108.4
665K28.9Very low39.4Very low176 Ų176146.9 Ų146.977%0.76577%0.772SS**PPolyproline II helixtrans-56.2132.6164.4-70.5180177.8178.90107.8H663 H667H663-K665 PolarHBondContact O-N 3.39Å; K665-H667 PolarHBondContact O-N 2.7Å
666P35.8Very low36.7Very low130 Ų130146.1 Ų146.184%0.84478%0.779SS**  trans-69.7105179.927.6-30.7000108.6
667H34.7Very low34.1Very low175 Ų175147.8 Ų147.881%0.8180%0.795SS**  trans-81.3125.3165.9-81.9-74.9000108.9K665 C669K665-H667 PolarHBondContact O-N 2.7Å; H667-C669 PolarHBondContact O-N 3.04Å
668N28.8Very low32.2Very low163 Ų163149 Ų14987%0.87280%0.799SS**  trans-44.8116.3171.6-84.6-21.5000112.1
669C29.6Very low31.1Very low127 Ų127152.7 Ų152.786%0.85880%0.798SS**  trans-154.5106.9156.2-107.20000112.3H667H667-C669 PolarHBondContact O-N 3.04Å
670R29.4Very low30.7Very low243 Ų243153.2 Ų153.292%0.91780%0.803SS**  trans21.7114.3151.7-68.1178.6176.9168.8-1.2119.2
671V26.8Very low30.5Very low130 Ų130152.4 Ų152.479%0.78880%0.804SS**  trans-60130165.3176.80000111.8
672I31.4Very low30.4Very low162 Ų162151.3 Ų151.383%0.83181%0.805SS**  trans-135.8113152.9-59179.6000106.4
673N28.1Very low30.2Very low141 Ų141147.6 Ų147.675%0.75480%0.798SS**  trans-87.3152.3168.8-96.4-3.3000109.1
674P32.7Very low30.1Very low116 Ų116147 Ų14775%0.75381%0.805SS**  -149.1153.89234.7-15.6000117.6
675C28Very low30.1Very low124 Ų124149.4 Ų149.484%0.83881%0.806SS**  trans51144.4148.8-80.30000120.6
676S29.5Very low30.2Very low92 Ų92149.6 Ų149.664%0.64381%0.81SS**  cis-171.61382.537.80000105.8
677D30.6Very low29.8Very low150 Ų150147.7 Ų147.780%0.80281%0.805SS**  trans163105.2136.8-77.3-12.3000111.9
678T27.3Very low29.5Very low121 Ų121146.9 Ų146.974%0.74281%0.807SS**  trans11111.4152.442.60000120.2
679N32.7Very low29.6Very low166 Ų166143.6 Ų143.689%0.88880%0.796SS**  -144.9123.4124.7-94.3-35.6000109L681N679-L681 PolarHBondContact O-N 2.96Å
680Q28.9Very low29.6Very low192 Ų192142.5 Ų142.590%0.89779%0.79SS**PPolyproline II helixtrans-66.1117.7-170.9-64.8177.58.200110.9
681L30.2Very low29.7Very low158 Ų158138.7 Ų138.783%0.82778%0.776SS**PPolyproline II helixtrans-103.6121.2164.6-138.496.2000108.2N679 T683N679-L681 PolarHBondContact O-N 2.96Å; L681-T683 PolarHBondContact O-N 3.33Å; L681-T683 PolarHBondContact O-OG1 2.8Å
682I32Very low29.9Very low168 Ų168138.7 Ų138.786%0.86278%0.779SS**PPolyproline II helixtrans-60.1124.7173.8-67.3170.3000108.7
683T24.5Very low30Very low107 Ų107136.9 Ų136.966%0.65677%0.77SS**PPolyproline II helixtrans-95.8133.4-176.3-500000110.3L681L681-T683 PolarHBondContact O-N 3.33Å; L681-T683 PolarHBondContact O-OG1 2.8Å
684T32.4Very low30.4Very low134 Ų134134 Ų13482%0.82276%0.761SS**  trans-151.8104.714737.60000104.5
685Q29.3Very low30.6Very low163 Ų163134.4 Ų134.476%0.76276%0.755SS**  39.9116.275.5-84.5-174.4-7.600110.8
686E30.8Very low30.7Very low180 Ų180130.7 Ų130.784%0.84173%0.734SS**  cis-156.7175.127-93.2172.9158.500111.1
687A28.1Very low31Very low89 Ų89129 Ų12974%0.73672%0.721SS**  trans-54.2148.8-176.900000116.7
688D29Very low31.3Very low159 Ų159128.1 Ų128.185%0.8571%0.707SS**  -17816497.3-122.5-26.3000114.1
689S30.2Very low31.8Very low93 Ų93125.5 Ų125.565%0.6569%0.688SS**  trans-30.2138-17459.80000123.7
690S30.2Very low32.1Very low105 Ų105120.2 Ų120.273%0.73466%0.657SS**  trans79.9109.5134.175.10000122.5
691R30Very low32.5Very low162 Ų162113 Ų11361%0.61164%0.635SS**  trans157.8139130.7-85.4177.9-171.8-173.77.1109.7L693 E725R691-L693 PolarHBondContact O-N 3.31Å; R691-E725 IonicContact NH2-OE1 3.01Å; R691-E725 PolarHBondContact NH2-OE1 3.46Å; R691-E725 VanDerWaalsContact NH2-OE1 3.15Å
692P32.5Very low33Very low131 Ų131107.3 Ų107.385%0.85160%0.603SS**  trans-78.4105.4-177.831.1-29.7000110
693L32.5Very low33.3Very low124 Ų124102.9 Ų102.965%0.64958%0.578SS**  trans-73.4133.1169.3-83.6101.5000111.3R691R691-L693 PolarHBondContact O-N 3.31Å
694S37.9Very low34Very low81 Ų81101 Ų10157%0.56657%0.569SS**  trans-51.5141.8-179.1161.90000114A696 S697S694-A696 PolarHBondContact O-N 3.03Å; S694-A696 PolarHBondContact OG-N 2.73Å; S694-S697 PolarHBondContact O-N 2.85Å; S694-S697 PolarHBondContact O-OG 2.83Å
695I35Very low34.2Very low124 Ų124103.5 Ų103.564%0.63656%0.563SS**Hα-helixtrans-46.4-36.1174.7-76.3165.2000112.7S697 R698 L699I695-S697 PolarHBondContact O-N 3.33Å; I695-R698 PolarHBondContact O-N 2.82Å; I695-L699 HydrophobicContact CG2-CD1 3.81Å; I695-L699 HydrophobicContact CG2-CG 4.4Å; I695-L699 PolarHBondContact O-N 2.89Å; I695-L699 VanDerWaalsContact O-N 3.07Å
696A30.6Very low34.5Very low46 Ų4699 Ų9938%0.3855%0.554SS.*Hα-helixtrans-56-50.6177.900000111S694 R698 L699 F700S694-A696 PolarHBondContact O-N 3.03Å; S694-A696 PolarHBondContact OG-N 2.73Å; A696-R698 PolarHBondContact O-N 3.27Å; A696-R698 VanDerWaalsContact O-N 3.14Å; A696-L699 WeakPolarHBondContact O-CB 3.42Å; A696-L699 PolarHBondContact O-N 2.85Å; A696-L699 VanDerWaalsContact O-N 3.14Å; A696-F700 HydrophobicContact CB-CE2 4.45Å; A696-F700 WeakPolarHBondContact O-CD2 3.16Å; A696-F700 PolarHBondContact O-N 2.81Å
697S37Very low34.7Very low55 Ų5593.7 Ų93.739%0.38554%0.535SS..Hα-helixtrans-60.8-28.1-178.259.40000113.8S694 I695 G701S694-S697 PolarHBondContact O-N 2.85Å; S694-S697 PolarHBondContact O-OG 2.83Å; I695-S697 PolarHBondContact O-N 3.33Å; S697-G701 PolarHBondContact O-N 3.39Å
698R36.7Very low34.8Very low132 Ų13299.6 Ų99.650%0.49854%0.54SS..Hα-helixtrans-77.2-46.8174.6-59.7-170.3-168.6-154.70.1111.6I695 A696 F700 G701 F702 L803I695-R698 PolarHBondContact O-N 2.82Å; A696-R698 PolarHBondContact O-N 3.27Å; A696-R698 VanDerWaalsContact O-N 3.14Å; R698-F700 PolarHBondContact O-N 3.16Å; R698-G701 PolarHBondContact O-N 3.27Å; R698-F702 WeakPolarHBondContact O-CD2 3.5Å; R698-F702 PolarHBondContact O-N 3.31Å; R698-L803 HydrophobicContact CB-CD1 3.93Å; R698-L803 HydrophobicContact CB-CD2 3.47Å; R698-L803 VanDerWaalsContact CB-CD2 3.47Å; R698-L803 HydrophobicContact CB-CG 4.38Å; R698-L803 HydrophobicContact CG-CD1 4.46Å
699L36.4Very low34.8Very low67 Ų6798.6 Ų98.635%0.35153%0.534SS..Hα-helixtrans-53-36.8173.3-77.1163.9000111.6I695 A696 F702 F703I695-L699 HydrophobicContact CG2-CD1 3.81Å; I695-L699 HydrophobicContact CG2-CG 4.4Å; I695-L699 PolarHBondContact O-N 2.89Å; I695-L699 VanDerWaalsContact O-N 3.07Å; A696-L699 WeakPolarHBondContact O-CB 3.42Å; A696-L699 PolarHBondContact O-N 2.85Å; A696-L699 VanDerWaalsContact O-N 3.14Å; L699-F702 WeakPolarHBondContact O-CB 3.28Å; L699-F702 PolarHBondContact O-N 2.85Å; L699-F703 WeakPolarHBondContact O-CD2 3.21Å; L699-F703 WeakPolarHBondContact O-CE2 3.44Å
700F40.6Very low34.8Very low54 Ų5499 Ų9924%0.23754%0.535CS..Hα-helixtrans-69.1-40.7176.3-80.1-71.1000114.1F359 V362 L363 A696 R698 F702 F703 S704F359-F700 AromaticContact CD2-CD1 3.99Å; F359-F700 HydrophobicContact CD2-CD1 3.99Å; F359-F700 HydrophobicContact CD2-CD2 4.4Å; F359-F700 HydrophobicContact CD2-CE1 4.16Å; F359-F700 HydrophobicContact CD2-CG 4.13Å; F359-F700 HydrophobicContact CD2-CZ 4.49Å; F359-F700 HydrophobicContact CE1-CZ 4.37Å; F359-F700 HydrophobicContact CE2-CB 4.46Å; F359-F700 AromaticContact CE2-CD1 3.44Å; F359-F700 HydrophobicContact CE2-CD1 3.44Å; F359-F700 VanDerWaalsContact CE2-CD1 3.44Å; F359-F700 AromaticContact CE2-CD2 3.39Å; F359-F700 HydrophobicContact CE2-CD2 3.39Å; F359-F700 AromaticContact CE2-CE1 3.34Å; F359-F700 HydrophobicContact CE2-CE1 3.34Å; F359-F700 AromaticContact CE2-CE2 3.33Å; F359-F700 HydrophobicContact CE2-CE2 3.33Å; F359-F700 AromaticContact CE2-CG 3.48Å; F359-F700 HydrophobicContact CE2-CG 3.48Å; F359-F700 VanDerWaalsContact CE2-CG 3.48Å; F359-F700 AromaticContact CE2-CZ 3.31Å; F359-F700 HydrophobicContact CE2-CZ 3.31Å; F359-F700 HydrophobicContact CZ-CD1 4.16Å; F359-F700 HydrophobicContact CZ-CD2 4.05Å; F359-F700 AromaticContact CZ-CE1 3.57Å; F359-F700 HydrophobicContact CZ-CE1 3.57Å; F359-F700 AromaticContact CZ-CE2 3.48Å; F359-F700 HydrophobicContact CZ-CE2 3.48Å; F359-F700 VanDerWaalsContact CZ-CE2 3.48Å; F359-F700 HydrophobicContact CZ-CG 4.39Å; F359-F700 AromaticContact CZ-CZ 3.21Å; F359-F700 HydrophobicContact CZ-CZ 3.21Å; V362-F700 HydrophobicContact CG1-CD1 4.34Å; L363-F700 HydrophobicContact CD2-CE1 3.52Å; L363-F700 HydrophobicContact CD2-CZ 3.87Å; L363-F700 HydrophobicContact CG-CE1 3.84Å; L363-F700 HydrophobicContact CG-CZ 4.35Å; A696-F700 HydrophobicContact CB-CE2 4.45Å; A696-F700 WeakPolarHBondContact O-CD2 3.16Å; A696-F700 PolarHBondContact O-N 2.81Å; R698-F700 PolarHBondContact O-N 3.16Å; F700-F702 PolarHBondContact O-N 2.82Å; F700-F703 PolarHBondContact O-N 3.44Å; F700-F703 VanDerWaalsContact O-N 3.12Å; F700-S704 PolarHBondContact O-OG 3.19Å
701G37Very low34.5Very low41 Ų4198.1 Ų98.142%0.42354%0.542SS..Hα-helixtrans-60.1-25.2173.900000113.2S697 R698 S704S697-G701 PolarHBondContact O-N 3.39Å; R698-G701 PolarHBondContact O-N 3.27Å; G701-S704 PolarHBondContact O-N 3.17Å
702F39.7Very low34.4Very low38 Ų3894 Ų9417%0.16755%0.55CS.*Hα-helixtrans-69.9-34.7174.9-86.8-74.8000114.4R698 L699 F700 S704 L803 T804R698-F702 WeakPolarHBondContact O-CD2 3.5Å; R698-F702 PolarHBondContact O-N 3.31Å; L699-F702 WeakPolarHBondContact O-CB 3.28Å; L699-F702 PolarHBondContact O-N 2.85Å; F700-F702 PolarHBondContact O-N 2.82Å; F702-S704 PolarHBondContact O-N 2.92Å; F702-L803 WeakPolarHBondContact CD1-O 3.41Å; F702-L803 HydrophobicContact CD2-CB 3.65Å; F702-L803 HydrophobicContact CD2-CD2 3.47Å; F702-L803 VanDerWaalsContact CD2-CD2 3.47Å; F702-L803 HydrophobicContact CD2-CG 4Å; F702-L803 WeakPolarHBondContact CD2-O 3.21Å; F702-L803 HydrophobicContact CE1-CB 4.14Å; F702-L803 WeakPolarHBondContact CE1-O 3.27Å; F702-L803 HydrophobicContact CE2-CB 3.13Å; F702-L803 HydrophobicContact CE2-CD1 3.8Å; F702-L803 HydrophobicContact CE2-CD2 3.53Å; F702-L803 HydrophobicContact CE2-CG 3.6Å; F702-L803 HydrophobicContact CG-CB 4.42Å; F702-L803 WeakPolarHBondContact CG-O 3.27Å; F702-L803 HydrophobicContact CZ-CB 3.38Å; F702-L803 HydrophobicContact CZ-CD1 4.48Å; F702-L803 HydrophobicContact CZ-CG 4.31Å; F702-T804 HydrophobicContact CD1-CG2 4.49Å; F702-T804 HydrophobicContact CE1-CG2 3.3Å; F702-T804 HydrophobicContact CZ-CG2 3.57Å
703F40Very low34.1Very low75 Ų7593.5 Ų93.533%0.32955%0.549SS..Hα-helixtrans-73.8-16.9175.2-65.9-70.9000112.3I292 M296 V362 L699 F700I292-F703 HydrophobicContact CD1-CE1 3.92Å; M296-F703 HydrophobicContact CE-CB 4Å; M296-F703 HydrophobicContact SD-CB 4.26Å; V362-F703 HydrophobicContact CG1-CB 4.06Å; L699-F703 WeakPolarHBondContact O-CD2 3.21Å; L699-F703 WeakPolarHBondContact O-CE2 3.44Å; F700-F703 PolarHBondContact O-N 3.44Å; F700-F703 VanDerWaalsContact O-N 3.12Å
704S37.8Very low33.9Very low68 Ų6896.8 Ų96.848%0.47656%0.562SS.*THydrogen-bonded Turntrans-102.20.4-173.1-55.30000115.9F700 G701 F702 A706F700-S704 PolarHBondContact O-OG 3.19Å; G701-S704 PolarHBondContact O-N 3.17Å; F702-S704 PolarHBondContact O-N 2.92Å; S704-A706 VanDerWaalsContact C-N 3.34Å; S704-A706 PolarHBondContact O-N 3.11Å
705R36.7Very low33.3Very low186 Ų186102 Ų10270%0.70258%0.577SS**  trans-83.877-175.6-143.1173.5-172.31641.4111.4
706A35.7Very low33.1Very low69 Ų69103.1 Ų103.157%0.5759%0.59SS**  trans-70.2148.7165.700000110.8S704S704-A706 VanDerWaalsContact C-N 3.34Å; S704-A706 PolarHBondContact O-N 3.11Å
707P35.5Very low32.9Very low68 Ų68104.6 Ų104.644%0.44261%0.61SS.*  trans-68138.8176.422.6-22.9000110.8L709P707-L709 PolarHBondContact O-N 3.38Å
708Y30.2Very low32.2Very low213 Ų213106 Ų10684%0.83563%0.633SS**  trans-45.2118.9-177.3-65.4-95.4000113.7
709L28.2Very low31.8Very low138 Ų138106.9 Ų106.972%0.72365%0.646SS**PPolyproline II helixtrans-82.8129.6162.5-101.6143.7000109.3P707P707-L709 PolarHBondContact O-N 3.38Å
710P30.5Very low31.3Very low102 Ų102110.4 Ų110.466%0.66267%0.665SS**PPolyproline II helixtrans-73.4134.5169.326.3-24.7000109.9
711G25.1Very low30.8Very low86 Ų86114.9 Ų114.989%0.88769%0.691SS**PPolyproline II helixtrans-58.4137.1-167.900000116
712G27.6Very low30.2Very low76 Ų76119.7 Ų119.778%0.78471%0.707SS**  trans-123.4118.8153.700000107.5Q714G712-Q714 PolarHBondContact O-N 3.42Å
713S24.7Very low29.7Very low120 Ų120126 Ų12684%0.83974%0.741SS**  trans-63.3117.7-179.948.60000112
714Q30Very low29Very low194 Ų194126.1 Ų126.191%0.90775%0.751SS**  trans-148.9122.5146.5-105.2177.420.900108.8G712G712-Q714 PolarHBondContact O-N 3.42Å
715E24Very low28.6Very low190 Ų190129.7 Ų129.789%0.88876%0.761SS**  trans-64.7132.7-177.8-6017115100110.9
716T30.4Very low28.3Very low147 Ų147130.4 Ų130.490%0.90277%0.769SS**  trans-168.2118.2144.628.20000111.4
717G27Very low28Very low78 Ų78135.4 Ų135.480%0.80478%0.784SS**  trans65.684146.200000119.6
718G23Very low27.5Very low84 Ų84142.4 Ų142.487%0.86680%0.803SS**  trans-69.2140162.800000112.7
719I28.3Very low27.5Very low150 Ų150139 Ų13977%0.76980%0.8SS**  trans-123.8109.9159.9-60.6176.9000106.7L721I719-L721 HydrophobicContact CG2-CG 4.25Å
720D25.4Very low27.7Very low141 Ų141141.1 Ų141.175%0.75481%0.805SS**  trans-83.6125.6173-153.5-1.9000108.3
721L30.2Very low27.8Very low149 Ų149142.7 Ų142.778%0.7881%0.808SS**  trans-119.174175.8-78.9171.9000109.6I719I719-L721 HydrophobicContact CG2-CG 4.25Å
722N24.4Very low28.1Very low142 Ų142146.4 Ų146.476%0.75981%0.808SS**  trans-89.4104.7155.4-91.6-52.2000108.5
723L29.7Very low28.2Very low169 Ų169150.4 Ų150.489%0.88581%0.811SS**  trans-129.287.4165.4-158.273.6000109.1
724S25.8Very low28.6Very low78 Ų78153.8 Ų153.855%0.54581%0.814SS.*  trans-111.8145.4158.2710000107.9
725E28.5Very low28.5Very low144 Ų144154.5 Ų154.567%0.67381%0.814SS**  trans75.993.4177.5-69.4174.1-174.300117.6R691R691-E725 IonicContact NH2-OE1 3.01Å; R691-E725 PolarHBondContact NH2-OE1 3.46Å; R691-E725 VanDerWaalsContact NH2-OE1 3.15Å
726K29.9Very low28.7Very low201 Ų201152.2 Ų152.287%0.87481%0.806SS**  175.9110122.9-95.2162.4-173.7178.60107.9
727I29.4Very low28.5Very low173 Ų173153.3 Ų153.389%0.88781%0.807SS**  trans178.184.3139-80.1145.5000103.9
728Y26.3Very low28.7Very low215 Ų215154.3 Ų154.384%0.84380%0.801SS**  trans-99.8145.4155.8-125.5-92.8000105.1
729N29.9Very low28.8Very low142 Ų142159.4 Ų159.476%0.75981%0.805SS**  trans80.992.5172.7-48.9-26000116.2
730H32.3Very low28.9Very low182 Ų182161.2 Ų161.284%0.84381%0.81SS**  -158.4119.4108.1-145.3-68.5000109.6
731D32.1Very low29Very low136 Ų136162 Ų16273%0.72781%0.807SS**  trans-57141.8172.2-70.1-48000111.7
732N30.8Very low28.7Very low164 Ų164161.8 Ų161.888%0.87782%0.816SS**  trans-160.8117.4130.8-88-39.8000108.6
733D30.9Very low28.8Very low160 Ų160159.4 Ų159.486%0.85681%0.81SS**  trans-60.8123.2176.5-73.7-60.5000112.2
734E31.6Very low28.7Very low191 Ų191158.4 Ų158.489%0.89380%0.801SS**  trans-151.1114.7143.9-112.6-177.5-172.100109.9I736E734-I736 PolarHBondContact O-N 2.91Å
735K28Very low28.7Very low208 Ų208164.9 Ų164.990%0.90482%0.82SS**  trans-62.4118.3178.7-80.7170.4170.4171.40111.3
736I29.4Very low28.5Very low142 Ų142163.2 Ų163.273%0.72882%0.823SS**  trans-134.4105.2154.3-60.9-177.6000109.3E734E734-I736 PolarHBondContact O-N 2.91Å
737N26.1Very low28.3Very low171 Ų171161.3 Ų161.391%0.91482%0.822SS**  trans-73.9114161.3-79.5-29.2000108.3
738S29.7Very low28.3Very low99 Ų99158.8 Ų158.869%0.69282%0.82SS**  trans-16078.6165.7610000111.3
739M27.1Very low28.6Very low190 Ų190155.4 Ų155.494%0.93682%0.822SS**  trans-154.758158.7-147.2141.467.500111.4
740E29Very low28.4Very low188 Ų188156.6 Ų156.688%0.87983%0.829SS**  trans-154.593.8163.5-98.2-175.6166.700106.4
741K27.9Very low28.5Very low158 Ų158157.5 Ų157.569%0.68783%0.83SS**  trans178.888.5155.7-106.9175.2179.9-155.80111.5E744K741-E744 WeakPolarHBondContact CE-OE2 3.49Å; K741-E744 IonicContact NZ-OE2 2.89Å; K741-E744 PolarHBondContact NZ-OE2 3.12Å
742C23.1Very low28.5Very low144 Ų144160.1 Ų160.197%0.97384%0.835SS**SBendtrans-130.459.3146.7-88.60000107.2
743S26.5Very low28.5Very low92 Ų92161.7 Ų161.764%0.64384%0.837SS**SBendtrans-161.378.9172.558.80000107.7
744E28.3Very low28.6Very low148 Ų148162 Ų16269%0.69283%0.833SS**  trans172.279.2163.6-99.7161.7-162.900108.7K741K741-E744 WeakPolarHBondContact CE-OE2 3.49Å; K741-E744 IonicContact NZ-OE2 2.89Å; K741-E744 PolarHBondContact NZ-OE2 3.12Å
745F25.7Very low28.5Very low214 Ų214161.4 Ų161.494%0.93983%0.828SS**  trans-130.566158.1-150.1-88.6000108.3
746C24.5Very low28.6Very low109 Ų109158.2 Ų158.274%0.73683%0.826SS**SBendtrans-177.399.9158.1-111.60000106.1
747N25.3Very low28.5Very low161 Ų161160.4 Ų160.486%0.86183%0.83SS**  trans153.894152.4-77.4-20.5000110
748S30.1Very low28.8Very low120 Ų120159.6 Ų159.684%0.83983%0.826SS**  trans-154.389.4156.5-90.20000109.7
749T32.1Very low28.8Very low144 Ų144159.4 Ų159.488%0.88383%0.825SS**  trans-162.392.3143.419.60000108.1
750N26.6Very low29.1Very low168 Ų168158.2 Ų158.290%0.89882%0.821SS**  trans-126.7112.1162.7-98.4-29.8000108.1
751K34.5Very low29Very low201 Ų201155 Ų15587%0.87481%0.814SS**  trans-122.5104.2154.8-90.3-176.5176.5175.70106.1
752K30.8Very low29.1Very low190 Ų190152.3 Ų152.383%0.82682%0.815SS**  54.5107.8116.4-80.6-173.5175.2-178.50113.6
753E31.5Very low29.4Very low197 Ų197150.4 Ų150.492%0.92180%0.804SS**  -173.4166.6103.6-101.5170.6-174.100111.9
754Q33.1Very low29.8Very low167 Ų167154.2 Ų154.278%0.7882%0.816SS**  trans-121.5141-138.8-169.416616.100110.5
755K28.9Very low29.7Very low179 Ų179152.4 Ų152.478%0.77882%0.82SS**  trans48121.4154.6-78.4178.5172.1177.30118.2
756T30.2Very low30Very low140 Ų140147.2 Ų147.286%0.85981%0.81SS**  -173.6143.394.227.50000111
757K28.3Very low30.5Very low189 Ų189149 Ų14982%0.82282%0.818SS**  trans-71.9144.2173.6-61.3170.9170.7176.90109.7
758D32.3Very low30.6Very low153 Ų153148.9 Ų148.982%0.81882%0.817SS**  173.6155.2109.8-84-22.7000110.6
759S29.9Very low30.8Very low96 Ų96151 Ų15167%0.67182%0.818SS**  trans-34146.3179.255.30000117.1
760L32.4Very low30.8Very low165 Ų165152.6 Ų152.686%0.86482%0.82SS**  -176.1148.3105.3-91.3160.7000111
761T27.3Very low30.9Very low119 Ų119153.5 Ų153.573%0.7382%0.819SS**  trans-72.9163.7-172.144.20000114.9
762S28.9Very low30.6Very low102 Ų102151.2 Ų151.271%0.71382%0.817SS**  trans97.9120.9143.371.40000120.2
763S29.9Very low30.7Very low104 Ų104150.3 Ų150.373%0.72782%0.821SS**  trans66.6114.914361.50000119
764L34.8Very low30.6Very low172 Ų172148.6 Ų148.690%0.90182%0.817SS**  -166.1109.1115.7-96.1153.5000109.6
765S27.6Very low30.2Very low111 Ų111146.3 Ų146.378%0.77682%0.818SS**  trans-80.5132.8167.654.80000110.1
766S31.5Very low30.2Very low104 Ų104143.5 Ų143.573%0.72782%0.819SS**  trans175.997.7142.524.50000110.1
767T34.6Very low30.5Very low147 Ų147146 Ų14690%0.90282%0.821SS**  trans179.878.5131.923.60000108.2
768D28.4Very low31.3Very low158 Ų158143.8 Ų143.885%0.84582%0.818SS**  trans-54.9129.3152.3-67.2-52.6000108.2
769L32.2Very low32.5Very low166 Ų166140.6 Ų140.687%0.86981%0.806SS**  trans161.277148.4-84.9178.9000109
770L33.3Very low34.4Very low177 Ų177141 Ų14193%0.92780%0.8SS**SBendtrans16452.3150.2-90154.5000110.6
771E29Very low36.8Very low187 Ų187137.5 Ų137.587%0.87478%0.779SS**  trans-139.461173.9-123.1-177.6-175.400108.3
772N27.9Very low39.6Very low153 Ų153132.5 Ų132.582%0.81875%0.748SS**  trans-164.142.3175.6-101.2-20.8000114.6
773D31.8Very low42.3Very low170 Ų170133.2 Ų133.291%0.90974%0.74SS**  trans-112.766.5157.7-92.6-20.9000109.7
774L30Very low45.1Very low162 Ų162129.7 Ų129.785%0.84872%0.715SS**  trans-79.1106.4152.5-108.679.9000107.2
775C26.1Very low47.9Very low118 Ų118122.2 Ų122.280%0.79768%0.675SS**SBendtrans-172.9131.8139.3-95.90000109.8
776C27.1Very low51.1Low120 Ų120117 Ų11781%0.81164%0.638SS**  trans60.974.7170.142.20000119.2
777H37.6Very low54.2Low194 Ų194112.1 Ų112.190%0.89860%0.604SS**  trans-91.294.7150.2-80.3-55.9000108.9
778D45.8Very low57.2Low142 Ų142105.1 Ų105.176%0.75956%0.561SS**  trans-57.4133.6160.7-82.8-35.7000108L780D778-L780 PolarHBondContact O-N 3.2Å; D778-L780 VanDerWaalsContact O-N 3.13Å
779P55.5Low60.4Low86 Ų8699.4 Ų99.456%0.55853%0.529SS*.  trans-57.5123.9176.523.7-31.5000108.3Q781P779-Q781 VanDerWaalsContact C-N 3.32Å; P779-Q781 HydrophobicContact CB-CG 4.26Å; P779-Q781 HydrophobicContact CG-CG 4.38Å; P779-Q781 WeakPolarHBondContact O-CG 3.28Å; P779-Q781 PolarHBondContact O-N 2.94Å
780L71.6Confident63.3Low103 Ų10391.8 Ų91.854%0.53949%0.489SS..  trans-59.193.7176.4-73.1164.6000109.2Q593 D778Q593-L780 HydrophobicContact CG-CD2 4.24Å; D778-L780 PolarHBondContact O-N 3.2Å; D778-L780 VanDerWaalsContact O-N 3.13Å
781Q81.8Confident65.8Low92 Ų9286.4 Ų86.443%0.4346%0.459SS..  trans-111.2146.4-178.9-71-178.711.200109.2Q593 L653 P779Q593-Q781 PolarHBondContact OE1-O 3.44Å; L653-Q781 HydrophobicContact CD1-CG 3.86Å; P779-Q781 VanDerWaalsContact C-N 3.32Å; P779-Q781 HydrophobicContact CB-CG 4.26Å; P779-Q781 HydrophobicContact CG-CG 4.38Å; P779-Q781 WeakPolarHBondContact O-CG 3.28Å; P779-Q781 PolarHBondContact O-N 2.94Å
782L86.7Confident68.1Low14 Ų1480 Ų807%0.07344%0.439CS..  trans-67.4139.3170-66.4175.4000108.6Q593 E622 I625 L626 Y629 C784Q593-L782 WeakPolarHBondContact O-CA 3.31Å; E622-L782 HydrophobicContact CB-CD1 3.87Å; E622-L782 HydrophobicContact CG-CD1 3.76Å; I625-L782 HydrophobicContact CB-CD2 3.95Å; I625-L782 HydrophobicContact CD1-CD2 4.34Å; I625-L782 HydrophobicContact CG2-CD2 3.48Å; I625-L782 VanDerWaalsContact CG2-CD2 3.48Å; L626-L782 HydrophobicContact CB-CD2 4.4Å; L626-L782 HydrophobicContact CD1-CD2 3.64Å; L626-L782 HydrophobicContact CD1-CG 4Å; L626-L782 HydrophobicContact CG-CD2 3.89Å; Y629-L782 HydrophobicContact CD1-CD1 3.79Å; Y629-L782 HydrophobicContact CD1-CG 4.48Å; Y629-L782 HydrophobicContact CD2-CD1 4.14Å; Y629-L782 HydrophobicContact CD2-CG 4.12Å; Y629-L782 HydrophobicContact CE1-CB 4.4Å; Y629-L782 HydrophobicContact CE1-CD1 3.63Å; Y629-L782 HydrophobicContact CE1-CG 4.03Å; Y629-L782 HydrophobicContact CE2-CB 4.34Å; Y629-L782 HydrophobicContact CE2-CD1 4.03Å; Y629-L782 HydrophobicContact CE2-CG 3.67Å; Y629-L782 HydrophobicContact CG-CD1 4.03Å; Y629-L782 PolarHBondContact OH-N 3.19Å; Y629-L782 VanDerWaalsContact OH-N 3.09Å; L782-C784 PolarHBondContact O-N 2.99Å
783E85.3Confident70.1Confident117 Ų11775.1 Ų75.155%0.54742%0.416SS..SBendtrans-56.3-36.9176.7-174.8-168.8152.100112.1Q593 R601Q593-E783 PolarHBondContact O-N 3.35Å; R601-E783 IonicContact CZ-OE2 3.99Å; R601-E783 VanDerWaalsContact CZ-OE2 3.26Å; R601-E783 IonicContact NH1-OE1 3.12Å; R601-E783 PolarHBondContact NH1-OE1 2.66Å; R601-E783 VanDerWaalsContact NH1-OE1 3.12Å; R601-E783 IonicContact NH1-OE2 2.73Å; R601-E783 PolarHBondContact NH1-OE2 3.34Å; R601-E783 IonicContact NH2-OE2 3.58Å; R601-E783 PolarHBondContact NH2-OE2 3.41Å
784C88.6Confident71.4Confident30 Ų3078.2 Ų78.220%0.20342%0.415CS..SBendtrans-144.2153.9174.1-50.70000109.6R606 L782 L786R606-C784 VanDerWaalsContact CZ-CB 3.41Å; R606-C784 VanDerWaalsContact NH1-CB 3.31Å; L782-C784 PolarHBondContact O-N 2.99Å; C784-L786 VanDerWaalsContact O-CD1 3.31Å; C784-L786 WeakPolarHBondContact O-CD1 3.37Å
785R93.4Very high73Confident15 Ų1581.1 Ų81.16%0.05742%0.417CS..  trans-69147.6172.9-59.6-58.1-56.7-91.74.9111.1R606 E622 Q633 F788R606-R785 PolarHBondContact NH2-O 3.35Å; E622-R785 WeakPolarHBondContact OE1-CA 3.36Å; E622-R785 IonicContact OE1-CZ 2.69Å; E622-R785 IonicContact OE1-NE 3.56Å; E622-R785 PolarHBondContact OE1-NE 2.89Å; E622-R785 IonicContact OE1-NH2 3.75Å; E622-R785 PolarHBondContact OE1-NH2 3.39Å; E622-R785 IonicContact OE2-CZ 3.52Å; E622-R785 IonicContact OE2-NE 3.51Å; E622-R785 IonicContact OE2-NH2 2.82Å; E622-R785 PolarHBondContact OE2-NH2 3.27Å; Q633-R785 PolarHBondContact O-NH2 2.9Å; R785-F788 HydrophobicContact CB-CE1 4.36Å; R785-F788 HydrophobicContact CB-CE2 4.49Å; R785-F788 HydrophobicContact CB-CZ 3.9Å
786L94.6Very high74.9Confident3 Ų379 Ų792%0.01640%0.395CS..  trans-120-34.2174.2-79.174.6000112.1Q595 I607 N609 E622 I625 C784 F788Q595-L786 HydrophobicContact CB-CD1 4.3Å; Q595-L786 HydrophobicContact CB-CD2 4.02Å; I607-L786 HydrophobicContact CG2-CD2 3.76Å; I607-L786 HydrophobicContact CG2-CG 4.26Å; N609-L786 WeakPolarHBondContact CB-O 3.27Å; N609-L786 PolarHBondContact N-O 3.13Å; E622-L786 HydrophobicContact CG-CB 3.86Å; E622-L786 PolarHBondContact OE1-N 3.36Å; I625-L786 HydrophobicContact CD1-CD1 4.13Å; I625-L786 HydrophobicContact CD1-CD2 3.54Å; I625-L786 HydrophobicContact CD1-CG 4.49Å; C784-L786 VanDerWaalsContact O-CD1 3.31Å; C784-L786 WeakPolarHBondContact O-CD1 3.37Å; L786-F788 VanDerWaalsContact O-CD2 3.28Å; L786-F788 WeakPolarHBondContact O-CD2 3.1Å
787D96.7Very high77Confident0 Ų077.3 Ų77.30%038%0.378CS..EExtended strand (participates in β ladder)trans-95.4120.1-176.8-71.5-32.3000111.1N609 Y611 R620 L621 E622 P634 A635N609-D787 PolarHBondContact ND2-OD1 3.05Å; Y611-D787 HydrophobicContact CE1-CB 4.06Å; R620-D787 VanDerWaalsContact CB-OD2 3.27Å; R620-D787 WeakPolarHBondContact CB-OD2 3.41Å; R620-D787 IonicContact CZ-OD2 3.76Å; R620-D787 IonicContact NE-OD2 3.83Å; R620-D787 PolarHBondContact NE-OD2 3.1Å; R620-D787 IonicContact NH2-OD2 2.88Å; L621-D787 PolarHBondContact N-OD1 3.26Å; L621-D787 PolarHBondContact N-OD2 3.33Å; E622-D787 WeakPolarHBondContact CB-OD2 3.45Å; E622-D787 HydrophobicContact CG-CB 3.88Å; E622-D787 WeakPolarHBondContact CG-OD2 3.33Å; E622-D787 PolarHBondContact N-OD2 3.44Å; E622-D787 PolarHBondContact OE1-N 3.17Å; E622-D787 VanDerWaalsContact OE1-N 3.08Å; P634-D787 HydrophobicContact CB-CB 4.02Å; A635-D787 PolarHBondContact N-O 3.33Å
788F96.9Very high78.9Confident0 Ų073.4 Ų73.40%036%0.361CS..EExtended strand (participates in β ladder)trans-122.1128.2-179.6-62.1-88.7000110.5F608 N609 I610 Y611 A635 I637 Y648 R785 L786 F818F608-F788 HydrophobicContact CD1-CD2 4.29Å; F608-F788 AromaticContact CD1-CE2 3.65Å; F608-F788 HydrophobicContact CD1-CE2 3.65Å; F608-F788 HydrophobicContact CD1-CZ 4.21Å; F608-F788 HydrophobicContact CE1-CE2 4.4Å; N609-F788 PolarHBondContact O-N 3.33Å; I610-F788 WeakPolarHBondContact CA-O 3.31Å; I610-F788 HydrophobicContact CG1-CB 4.2Å; Y611-F788 PolarHBondContact N-O 2.76Å; A635-F788 HydrophobicContact CB-CD1 3.75Å; A635-F788 HydrophobicContact CB-CE1 3.9Å; A635-F788 CarbonylContact O-C 3.56Å; A635-F788 VanDerWaalsContact O-CA 3.27Å; A635-F788 WeakPolarHBondContact O-CA 3.47Å; I637-F788 HydrophobicContact CD1-CB 4Å; I637-F788 HydrophobicContact CG1-CB 3.9Å; Y648-F788 HydrophobicContact CD1-CD1 4.32Å; Y648-F788 HydrophobicContact CD1-CE1 4.13Å; Y648-F788 HydrophobicContact CG-CE1 4.09Å; R785-F788 HydrophobicContact CB-CE1 4.36Å; R785-F788 HydrophobicContact CB-CE2 4.49Å; R785-F788 HydrophobicContact CB-CZ 3.9Å; L786-F788 VanDerWaalsContact O-CD2 3.28Å; L786-F788 WeakPolarHBondContact O-CD2 3.1Å; F788-F818 HydrophobicContact CB-CE2 4.36Å; F788-F818 HydrophobicContact CB-CZ 4.33Å; F788-F818 AromaticContact CD1-CE2 3.39Å; F788-F818 HydrophobicContact CD1-CE2 3.39Å; F788-F818 AromaticContact CD1-CZ 3.67Å; F788-F818 HydrophobicContact CD1-CZ 3.67Å; F788-F818 HydrophobicContact CD2-CE2 4.37Å; F788-F818 AromaticContact CD2-CZ 3.79Å; F788-F818 HydrophobicContact CD2-CZ 3.79Å; F788-F818 AromaticContact CE1-CE2 3.66Å; F788-F818 HydrophobicContact CE1-CE2 3.66Å; F788-F818 AromaticContact CE1-CZ 3.83Å; F788-F818 HydrophobicContact CE1-CZ 3.83Å; F788-F818 AromaticContact CE2-CZ 3.98Å; F788-F818 HydrophobicContact CE2-CZ 3.98Å; F788-F818 AromaticContact CG-CE2 3.77Å; F788-F818 HydrophobicContact CG-CE2 3.77Å; F788-F818 AromaticContact CG-CZ 3.64Å; F788-F818 HydrophobicContact CG-CZ 3.64Å; F788-F818 HydrophobicContact CZ-CE2 4.28Å; F788-F818 AromaticContact CZ-CZ 3.98Å; F788-F818 HydrophobicContact CZ-CZ 3.98Å
789Q95.8Very high79.7Confident38 Ų3874.6 Ų74.618%0.17836%0.356CS..EExtended strand (participates in β ladder)trans-115.1133.5-175.7-171-169-70.500111.1Y611 P613 P634 A635 L636 I637Y611-Q789 HydrophobicContact CD2-CG 4.26Å; Y611-Q789 HydrophobicContact CE2-CB 4.15Å; Y611-Q789 HydrophobicContact CE2-CG 3.95Å; Y611-Q789 CarbonylContact O-C 3.52Å; Y611-Q789 VanDerWaalsContact O-CA 3.31Å; Y611-Q789 WeakPolarHBondContact O-CA 3.31Å; P613-Q789 HydrophobicContact CB-CG 4.31Å; P613-Q789 HydrophobicContact CG-CG 4.31Å; P634-Q789 HydrophobicContact CB-CB 3.88Å; P634-Q789 HydrophobicContact CG-CB 3.53Å; P634-Q789 HydrophobicContact CG-CG 4.23Å; P634-Q789 VanDerWaalsContact CG-OE1 3.24Å; A635-Q789 PolarHBondContact O-N 3.13Å; L636-Q789 WeakPolarHBondContact CA-O 3.47Å; L636-Q789 HydrophobicContact CD2-CB 4.24Å; I637-Q789 PolarHBondContact N-O 2.99Å
790L93Very high80.4Confident6 Ų675 Ų753%0.03135%0.353CS..PPolyproline II helixtrans-66.6145.5169.5-73.6175.5000112.1Y611 H612 I637 A792 Y809 D814 I815Y611-L790 PolarHBondContact O-N 2.85Å; H612-L790 HydrophobicContact CB-CD1 4.3Å; I637-L790 HydrophobicContact CB-CD2 4.3Å; I637-L790 HydrophobicContact CD1-CD2 4.07Å; I637-L790 HydrophobicContact CG2-CD2 4.35Å; L790-A792 PolarHBondContact O-N 3.28Å; L790-Y809 HydrophobicContact CD1-CE1 4.35Å; L790-D814 HydrophobicContact CD2-CB 4.18Å; L790-I815 HydrophobicContact CD1-CD1 3.76Å; L790-I815 HydrophobicContact CD1-CG1 4.24Å; L790-I815 HydrophobicContact CD2-CD1 4.21Å; L790-I815 HydrophobicContact CD2-CG1 3.75Å; L790-I815 HydrophobicContact CG-CD1 4.31Å; L790-I815 HydrophobicContact CG-CG1 4.35Å
791Q87.1Confident80.4Confident64 Ų6470.5 Ų70.530%0.29933%0.33SS..PPolyproline II helixtrans-79.6116.3174.8-63.4-176.735.300110.2L636 I637 S793L636-Q791 HydrophobicContact CB-CG 4.37Å; I637-Q791 WeakPolarHBondContact O-CG 3.5Å; I637-Q791 PolarHBondContact O-NE2 2.85Å; Q791-S793 PolarHBondContact O-N 3.41Å
792A76.3Confident79.8Confident53 Ų5369.4 Ų69.444%0.43833%0.327SS..PPolyproline II helixtrans-64.1134.7168.400000110L790 E796L790-A792 PolarHBondContact O-N 3.28Å; A792-E796 WeakPolarHBondContact CA-OE2 3.43Å
793S69.6Low78.7Confident50 Ų5070 Ų7035%0.3533%0.33SS..PPolyproline II helixtrans-67146.3173.5-55.60000111.3Q791 Y795 E796Q791-S793 PolarHBondContact O-N 3.41Å; S793-Y795 PolarHBondContact O-N 3.12Å; S793-E796 WeakPolarHBondContact CB-OE1 3.42Å; S793-E796 PolarHBondContact N-OE1 3.21Å; S793-E796 PolarHBondContact N-OE2 2.8Å; S793-E796 WeakPolarHBondContact O-CB 3.28Å; S793-E796 PolarHBondContact O-N 2.91Å; S793-E796 PolarHBondContact OG-OE1 2.97Å
794R60.5Low78.3Confident236 Ų23666.4 Ų66.489%0.89132%0.316SS*.THydrogen-bonded Turntrans-56.9-23.6-179.9-70.2-173.8-180174.11.2114.1
795Y63.2Low78.1Confident223 Ų22365.1 Ų65.188%0.87531%0.307SS*.THydrogen-bonded Turntrans-11313.5-179.2-55.5-68.1000113.1S793 N797S793-Y795 PolarHBondContact O-N 3.12Å; Y795-N797 PolarHBondContact O-N 3.12Å
796E65.4Low77.7Confident74 Ų7465.4 Ų65.435%0.34631%0.309SS..  trans-68.2126.7175.1-96.6164.2-135.100110.7H612 A792 S793 M798 S801H612-E796 IonicContact NE2-OE2 3.36Å; H612-E796 PolarHBondContact NE2-OE2 2.95Å; A792-E796 WeakPolarHBondContact CA-OE2 3.43Å; S793-E796 WeakPolarHBondContact CB-OE1 3.42Å; S793-E796 PolarHBondContact N-OE1 3.21Å; S793-E796 PolarHBondContact N-OE2 2.8Å; S793-E796 WeakPolarHBondContact O-CB 3.28Å; S793-E796 PolarHBondContact O-N 2.91Å; S793-E796 PolarHBondContact OG-OE1 2.97Å; E796-M798 PolarHBondContact O-N 2.9Å; E796-S801 PolarHBondContact OE2-OG 2.94Å
797N72.3Confident77Confident84 Ų8468.4 Ų68.445%0.44933%0.328SS..  trans-74.5110.2170.4-176.7-26.5000107.9Y795 Y799 I800 S801Y795-N797 PolarHBondContact O-N 3.12Å; N797-Y799 PolarHBondContact O-N 3.38Å; N797-Y799 WeakPolarHBondContact OD1-CB 3.36Å; N797-Y799 PolarHBondContact OD1-N 3.37Å; N797-I800 HydrophobicContact CB-CB 4.15Å; N797-I800 HydrophobicContact CB-CD1 3.88Å; N797-I800 HydrophobicContact CB-CG1 3.87Å; N797-I800 CarbonylContact O-C 3.55Å; N797-I800 WeakPolarHBondContact O-CA 3.38Å; N797-I800 WeakPolarHBondContact O-CB 3.48Å; N797-I800 PolarHBondContact O-N 3.34Å; N797-S801 PolarHBondContact O-N 3.41Å; N797-S801 PolarHBondContact O-OG 2.8Å
798M75.7Confident76.4Confident111 Ų11170.3 Ų70.355%0.54734%0.341SS..Hα-helixtrans-50.1-35179.7-172.76882.200112.8A614 E796 S801 L802A614-M798 HydrophobicContact CB-SD 3.86Å; E796-M798 PolarHBondContact O-N 2.9Å; M798-S801 PolarHBondContact O-N 2.91Å; M798-L802 WeakPolarHBondContact O-CB 3.22Å; M798-L802 PolarHBondContact O-N 3.32Å
799Y64.2Low76.1Confident167 Ų16770.5 Ų70.566%0.65534%0.342SS*.Hα-helixtrans-67.1-38.9175.8-67.1-74.9000112.2N797 L803N797-Y799 PolarHBondContact O-N 3.38Å; N797-Y799 WeakPolarHBondContact OD1-CB 3.36Å; N797-Y799 PolarHBondContact OD1-N 3.37Å; Y799-L803 WeakPolarHBondContact O-CB 3.42Å; Y799-L803 WeakPolarHBondContact O-CD1 3.36Å; Y799-L803 WeakPolarHBondContact O-CG 3.41Å; Y799-L803 PolarHBondContact O-N 3.06Å
800I69.4Low75.6Confident96 Ų9669 Ų6949%0.49234%0.335SS..Hα-helixtrans-68.7-41.9174.3-60.1179.7000109.4N797 L803 T804N797-I800 HydrophobicContact CB-CB 4.15Å; N797-I800 HydrophobicContact CB-CD1 3.88Å; N797-I800 HydrophobicContact CB-CG1 3.87Å; N797-I800 CarbonylContact O-C 3.55Å; N797-I800 WeakPolarHBondContact O-CA 3.38Å; N797-I800 WeakPolarHBondContact O-CB 3.48Å; N797-I800 PolarHBondContact O-N 3.34Å; I800-L803 CarbonylContact O-C 3.56Å; I800-L803 WeakPolarHBondContact O-CA 3.12Å; I800-L803 VanDerWaalsContact O-CB 3.22Å; I800-L803 WeakPolarHBondContact O-CB 3.22Å; I800-L803 PolarHBondContact O-N 3.08Å; I800-L803 VanDerWaalsContact O-N 3.14Å; I800-T804 HydrophobicContact CG2-CG2 3.79Å; I800-T804 WeakPolarHBondContact O-CG2 3.36Å; I800-T804 PolarHBondContact O-N 2.92Å; I800-T804 PolarHBondContact O-OG1 2.93Å
801S71.4Confident75.1Confident8 Ų872 Ų726%0.05635%0.353CS..Hα-helixtrans-66-41.3179.2-55.30000112.8E796 N797 M798 L803 T804 S805E796-S801 PolarHBondContact OE2-OG 2.94Å; N797-S801 PolarHBondContact O-N 3.41Å; N797-S801 PolarHBondContact O-OG 2.8Å; M798-S801 PolarHBondContact O-N 2.91Å; S801-L803 PolarHBondContact O-N 2.87Å; S801-L803 VanDerWaalsContact O-N 3.11Å; S801-T804 PolarHBondContact O-N 2.75Å; S801-S805 WeakPolarHBondContact O-CB 2.89Å; S801-S805 PolarHBondContact O-N 3.05Å; S801-S805 PolarHBondContact O-OG 3.25Å
802L70.2Confident75.3Confident69 Ų6970.9 Ų70.936%0.36135%0.349SS..Hα-helixtrans-55.9-30173.6178.263.7000112.4A614 P616 M798A614-L802 WeakPolarHBondContact O-CA 3.44Å; A614-L802 WeakPolarHBondContact O-CD1 3.37Å; P616-L802 HydrophobicContact CB-CD1 4.13Å; P616-L802 HydrophobicContact CG-CD1 4.13Å; M798-L802 WeakPolarHBondContact O-CB 3.22Å; M798-L802 PolarHBondContact O-N 3.32Å
803L62.3Low76.1Confident25 Ų2570 Ų7013%0.13134%0.342CS..Hα-helixtrans-86.8-53.1-174.6-86.3-176.5000109.9R698 F702 Y799 I800 S801R698-L803 HydrophobicContact CB-CD1 3.93Å; R698-L803 HydrophobicContact CB-CD2 3.47Å; R698-L803 VanDerWaalsContact CB-CD2 3.47Å; R698-L803 HydrophobicContact CB-CG 4.38Å; R698-L803 HydrophobicContact CG-CD1 4.46Å; F702-L803 WeakPolarHBondContact CD1-O 3.41Å; F702-L803 HydrophobicContact CD2-CB 3.65Å; F702-L803 HydrophobicContact CD2-CD2 3.47Å; F702-L803 VanDerWaalsContact CD2-CD2 3.47Å; F702-L803 HydrophobicContact CD2-CG 4Å; F702-L803 WeakPolarHBondContact CD2-O 3.21Å; F702-L803 HydrophobicContact CE1-CB 4.14Å; F702-L803 WeakPolarHBondContact CE1-O 3.27Å; F702-L803 HydrophobicContact CE2-CB 3.13Å; F702-L803 HydrophobicContact CE2-CD1 3.8Å; F702-L803 HydrophobicContact CE2-CD2 3.53Å; F702-L803 HydrophobicContact CE2-CG 3.6Å; F702-L803 HydrophobicContact CG-CB 4.42Å; F702-L803 WeakPolarHBondContact CG-O 3.27Å; F702-L803 HydrophobicContact CZ-CB 3.38Å; F702-L803 HydrophobicContact CZ-CD1 4.48Å; F702-L803 HydrophobicContact CZ-CG 4.31Å; Y799-L803 WeakPolarHBondContact O-CB 3.42Å; Y799-L803 WeakPolarHBondContact O-CD1 3.36Å; Y799-L803 WeakPolarHBondContact O-CG 3.41Å; Y799-L803 PolarHBondContact O-N 3.06Å; I800-L803 CarbonylContact O-C 3.56Å; I800-L803 WeakPolarHBondContact O-CA 3.12Å; I800-L803 VanDerWaalsContact O-CB 3.22Å; I800-L803 WeakPolarHBondContact O-CB 3.22Å; I800-L803 PolarHBondContact O-N 3.08Å; I800-L803 VanDerWaalsContact O-N 3.14Å; S801-L803 PolarHBondContact O-N 2.87Å; S801-L803 VanDerWaalsContact O-N 3.11Å
804T77.3Confident77.3Confident42 Ų4268.7 Ų68.726%0.25833%0.331SS..Hα-helixtrans-89.5-25.7-17261.90000115.1F702 I800 S801 H806 T807 S808F702-T804 HydrophobicContact CD1-CG2 4.49Å; F702-T804 HydrophobicContact CE1-CG2 3.3Å; F702-T804 HydrophobicContact CZ-CG2 3.57Å; I800-T804 HydrophobicContact CG2-CG2 3.79Å; I800-T804 WeakPolarHBondContact O-CG2 3.36Å; I800-T804 PolarHBondContact O-N 2.92Å; I800-T804 PolarHBondContact O-OG1 2.93Å; S801-T804 PolarHBondContact O-N 2.75Å; T804-H806 VanDerWaalsContact C-N 3.27Å; T804-H806 PolarHBondContact O-N 3Å; T804-T807 PolarHBondContact O-N 3.15Å; T804-T807 VanDerWaalsContact O-N 3.08Å; T804-T807 PolarHBondContact O-OG1 2.84Å; T804-T807 VanDerWaalsContact O-OG1 3.06Å; T804-S808 PolarHBondContact O-N 2.82Å; T804-S808 PolarHBondContact O-OG 3.28Å
805S83.9Confident79Confident3 Ų357.5 Ų57.52%0.02129%0.289CS..G310 helixtrans-60.9-36.1-165.156.20000113.1H612 D615 S801 T807 S808 Y809H612-S805 WeakPolarHBondContact ND1-CB 3.47Å; D615-S805 WeakPolarHBondContact CA-OG 3.34Å; D615-S805 PolarHBondContact N-OG 3.32Å; S801-S805 WeakPolarHBondContact O-CB 2.89Å; S801-S805 PolarHBondContact O-N 3.05Å; S801-S805 PolarHBondContact O-OG 3.25Å; S805-T807 PolarHBondContact O-N 3.2Å; S805-S808 WeakPolarHBondContact CA-OG 3.47Å; S805-S808 PolarHBondContact O-N 3.19Å; S805-S808 PolarHBondContact O-OG 3.23Å; S805-Y809 WeakPolarHBondContact O-CD2 3.3Å; S805-Y809 VanDerWaalsContact O-CE2 3.22Å; S805-Y809 WeakPolarHBondContact O-CE2 3.31Å
806H86.3Confident80.5Confident21 Ų2146.9 Ų46.910%0.09725%0.247CC..G310 helixtrans-62.9-31.8-179.9-166.364.9000112.7H416 S417 G575 D615 V617 T804 Y809H416-H806 AromaticContact CE1-NE2 3.72Å; H416-H806 PolarHBondContact CE1-O 3.41Å; H416-H806 VanDerWaalsContact CE1-O 3.24Å; H416-H806 AromaticContact NE2-CE1 3.91Å; H416-H806 AromaticContact NE2-NE2 3.91Å; H416-H806 PolarHBondContact NE2-O 2.85Å; S417-H806 VanDerWaalsContact CB-CE1 3.49Å; S417-H806 WeakPolarHBondContact CB-CE1 3.37Å; S417-H806 VanDerWaalsContact CB-NE2 3.32Å; S417-H806 WeakPolarHBondContact CB-NE2 3.27Å; S417-H806 PolarHBondContact OG-CE1 3.04Å; S417-H806 VanDerWaalsContact OG-CE1 3.28Å; S417-H806 PolarHBondContact OG-NE2 3.42Å; G575-H806 PolarHBondContact O-CE1 3.14Å; G575-H806 VanDerWaalsContact O-CE1 3.31Å; D615-H806 IonicContact OD1-CG 2.73Å; D615-H806 IonicContact OD1-ND1 3.28Å; D615-H806 PolarHBondContact OD1-ND1 2.84Å; D615-H806 IonicContact OD2-CG 2.96Å; D615-H806 IonicContact OD2-ND1 2.75Å; D615-H806 PolarHBondContact OD2-ND1 3.46Å; V617-H806 VanDerWaalsContact CB-CE1 3.5Å; V617-H806 WeakPolarHBondContact CB-CE1 3.22Å; T804-H806 VanDerWaalsContact C-N 3.27Å; T804-H806 PolarHBondContact O-N 3Å; H806-Y809 VanDerWaalsContact O-CD2 3.28Å; H806-Y809 WeakPolarHBondContact O-CD2 3.23Å
807T80.4Confident81.9Confident66 Ų6643.8 Ų43.841%0.40523%0.233SC..G310 helixtrans-98.6-8.9-175.354.30000113.5T804 S805T804-T807 PolarHBondContact O-N 3.15Å; T804-T807 VanDerWaalsContact O-N 3.08Å; T804-T807 PolarHBondContact O-OG1 2.84Å; T804-T807 VanDerWaalsContact O-OG1 3.06Å; S805-T807 PolarHBondContact O-N 3.2Å
808S84.2Confident83Confident41 Ų4139.8 Ų39.829%0.28721%0.211SC..  trans-95.79.9-171620000115.2T804 S805T804-S808 PolarHBondContact O-N 2.82Å; T804-S808 PolarHBondContact O-OG 3.28Å; S805-S808 WeakPolarHBondContact CA-OG 3.47Å; S805-S808 PolarHBondContact O-N 3.19Å; S805-S808 PolarHBondContact O-OG 3.23Å
809Y89.9Confident84Confident3 Ų334.5 Ų34.51%0.01219%0.185CC..SBendtrans-67.3-40.7-176.2-71.2-84.6000113H416 L574 G575 Y611 H612 D615 L790 S805 H806 T811 N812 I815H416-Y809 AromaticContact CD2-CD2 3.73Å; H416-Y809 AromaticContact NE2-CD2 3.62Å; L574-Y809 HydrophobicContact CB-CD1 4.08Å; L574-Y809 HydrophobicContact CB-CG 4.04Å; G575-Y809 WeakPolarHBondContact CA-OH 3.39Å; Y611-Y809 WeakPolarHBondContact CA-OH 3.44Å; H612-Y809 PolarHBondContact N-OH 2.95Å; D615-Y809 WeakPolarHBondContact CB-OH 3.38Å; D615-Y809 WeakPolarHBondContact OD2-CE2 3.41Å; D615-Y809 PolarHBondContact OD2-OH 2.98Å; L790-Y809 HydrophobicContact CD1-CE1 4.35Å; S805-Y809 WeakPolarHBondContact O-CD2 3.3Å; S805-Y809 VanDerWaalsContact O-CE2 3.22Å; S805-Y809 WeakPolarHBondContact O-CE2 3.31Å; H806-Y809 VanDerWaalsContact O-CD2 3.28Å; H806-Y809 WeakPolarHBondContact O-CD2 3.23Å; Y809-T811 VanDerWaalsContact C-N 3.32Å; Y809-T811 PolarHBondContact O-N 3.07Å; Y809-N812 PolarHBondContact O-N 2.75Å; Y809-I815 HydrophobicContact CD1-CD1 3.4Å; Y809-I815 HydrophobicContact CE1-CD1 4.26Å; Y809-I815 HydrophobicContact CG-CD1 4.19Å
810W86Confident85.5Confident8 Ų826.6 Ų26.63%0.0315%0.154CC..THydrogen-bonded Turntrans-62.8-34.3-171.7-55.1118.7000114.3V288 N304 I414 H416 L574V288-W810 HydrophobicContact CG1-CE3 4.12Å; V288-W810 HydrophobicContact CG1-CH2 3.73Å; V288-W810 HydrophobicContact CG1-CZ3 3.49Å; V288-W810 VanDerWaalsContact CG1-CZ3 3.49Å; N304-W810 HydrophobicContact CB-CB 4.06Å; N304-W810 HydrophobicContact CB-CD2 4.13Å; N304-W810 HydrophobicContact CB-CG 3.71Å; N304-W810 PolarHBondContact ND2-NE1 2.85Å; I414-W810 HydrophobicContact CG2-CZ3 3.81Å; H416-W810 HydrophobicContact CB-CH2 3.5Å; H416-W810 VanDerWaalsContact CB-CH2 3.5Å; H416-W810 HydrophobicContact CB-CZ2 3.18Å; H416-W810 AromaticContact CG-CZ2 3.78Å; L574-W810 HydrophobicContact CD1-CE3 4.21Å; L574-W810 HydrophobicContact CD1-CZ3 4.01Å
811T80.7Confident86.6Confident68 Ų6823.7 Ų23.742%0.41714%0.141SC..THydrogen-bonded Turntrans-98.71.4-17660.70000113.2E307 Y809 A813E307-T811 HydrophobicContact CB-CG2 3.98Å; E307-T811 HydrophobicContact CG-CG2 4.46Å; E307-T811 WeakPolarHBondContact OE2-CG2 3.27Å; Y809-T811 VanDerWaalsContact C-N 3.32Å; Y809-T811 PolarHBondContact O-N 3.07Å; T811-A813 PolarHBondContact O-N 3.25Å
812N91.2Very high87.7Confident40 Ų4025.3 Ų25.321%0.21415%0.147CC..  trans-78.9113.1-173.9-172.1-58.5000110.2Y809 D814 I815 C816Y809-N812 PolarHBondContact O-N 2.75Å; N812-D814 PolarHBondContact O-N 2.94Å; N812-D814 WeakPolarHBondContact OD1-CA 3.31Å; N812-D814 VanDerWaalsContact OD1-CB 3.24Å; N812-D814 WeakPolarHBondContact OD1-CB 3.45Å; N812-D814 PolarHBondContact OD1-N 2.67Å; N812-I815 HydrophobicContact CB-CB 4.24Å; N812-I815 HydrophobicContact CB-CD1 3.84Å; N812-I815 HydrophobicContact CB-CG1 3.95Å; N812-I815 WeakPolarHBondContact O-CB 3.42Å; N812-I815 PolarHBondContact O-N 3.44Å; N812-I815 VanDerWaalsContact O-N 3.08Å; N812-I815 PolarHBondContact OD1-N 2.86Å; N812-C816 PolarHBondContact O-N 3.08Å; N812-C816 PolarHBondContact O-SG 3.14Å
813A93.7Very high88.9Confident34 Ų3422.2 Ų22.228%0.28113%0.13SC..Hα-helixtrans-60-30.8-178.200000113.7T311 I315 V640 T811 C816 M817T311-A813 HydrophobicContact CG2-CB 4.23Å; I315-A813 WeakPolarHBondContact CD1-O 3.21Å; V640-A813 HydrophobicContact CB-CB 4.28Å; V640-A813 HydrophobicContact CG1-CB 3.94Å; T811-A813 PolarHBondContact O-N 3.25Å; A813-C816 PolarHBondContact O-N 2.77Å; A813-M817 WeakPolarHBondContact O-CB 3.25Å; A813-M817 PolarHBondContact O-N 3.28Å
814D95.1Very high90.4Very high24 Ų2421.8 Ų21.813%0.12813%0.127CC..Hα-helixtrans-68.6-38.2177.7-57.4-16.5000110.6I637 R639 V640 L790 N812 M817 F818I637-D814 HydrophobicContact CG2-CB 4.06Å; R639-D814 WeakPolarHBondContact CA-OD1 3.3Å; V640-D814 PolarHBondContact N-OD1 3.05Å; L790-D814 HydrophobicContact CD2-CB 4.18Å; N812-D814 PolarHBondContact O-N 2.94Å; N812-D814 WeakPolarHBondContact OD1-CA 3.31Å; N812-D814 VanDerWaalsContact OD1-CB 3.24Å; N812-D814 WeakPolarHBondContact OD1-CB 3.45Å; N812-D814 PolarHBondContact OD1-N 2.67Å; D814-M817 PolarHBondContact O-N 3.09Å; D814-F818 WeakPolarHBondContact O-CB 3.36Å; D814-F818 PolarHBondContact O-N 2.99Å
815I95.4Very high90.8Very high1 Ų124.6 Ų24.61%0.00515%0.146CC..Hα-helixtrans-67.5-45.2173.9-61.3178.5000110.4L574 I610 L790 Y809 N812 M817 F818 I819L574-I815 HydrophobicContact CD2-CG2 4.28Å; I610-I815 HydrophobicContact CG2-CD1 4.23Å; I610-I815 HydrophobicContact CG2-CG1 4.34Å; L790-I815 HydrophobicContact CD1-CD1 3.76Å; L790-I815 HydrophobicContact CD1-CG1 4.24Å; L790-I815 HydrophobicContact CD2-CD1 4.21Å; L790-I815 HydrophobicContact CD2-CG1 3.75Å; L790-I815 HydrophobicContact CG-CD1 4.31Å; L790-I815 HydrophobicContact CG-CG1 4.35Å; Y809-I815 HydrophobicContact CD1-CD1 3.4Å; Y809-I815 HydrophobicContact CE1-CD1 4.26Å; Y809-I815 HydrophobicContact CG-CD1 4.19Å; N812-I815 HydrophobicContact CB-CB 4.24Å; N812-I815 HydrophobicContact CB-CD1 3.84Å; N812-I815 HydrophobicContact CB-CG1 3.95Å; N812-I815 WeakPolarHBondContact O-CB 3.42Å; N812-I815 PolarHBondContact O-N 3.44Å; N812-I815 VanDerWaalsContact O-N 3.08Å; N812-I815 PolarHBondContact OD1-N 2.86Å; I815-M817 VanDerWaalsContact C-N 3.28Å; I815-M817 PolarHBondContact O-N 2.8Å; I815-F818 WeakPolarHBondContact O-CB 3.42Å; I815-F818 PolarHBondContact O-N 2.93Å; I815-F818 VanDerWaalsContact O-N 3.16Å; I815-I819 HydrophobicContact CG2-CD1 3.69Å; I815-I819 HydrophobicContact CG2-CG1 4.18Å; I815-I819 WeakPolarHBondContact O-CG1 3.49Å; I815-I819 PolarHBondContact O-N 3.22Å
816C95.5Very high90.1Very high0 Ų027.5 Ų27.50%016%0.161CC..Hα-helixtrans-59.7-41.9177.5-60.70000111L308 T311 I315 N812 A813 I819 M820L308-C816 VanDerWaalsContact CD1-SG 3.51Å; T311-C816 HydrophobicContact CG2-CB 3.91Å; T311-C816 VanDerWaalsContact CG2-SG 3.6Å; I315-C816 HydrophobicContact CD1-CB 3.4Å; N812-C816 PolarHBondContact O-N 3.08Å; N812-C816 PolarHBondContact O-SG 3.14Å; A813-C816 PolarHBondContact O-N 2.77Å; C816-I819 PolarHBondContact O-N 3.12Å; C816-M820 WeakPolarHBondContact O-CB 3.47Å; C816-M820 WeakPolarHBondContact O-CG 3.47Å; C816-M820 PolarHBondContact O-N 3.02Å
817M95Very high88.9Confident8 Ų833.5 Ų33.54%0.03919%0.189CC..Hα-helixtrans-63.7-42.7175-175.365-169.200111.8I315 Y319 F320 V640 K645 A813 D814 I815 M820 T821I315-M817 HydrophobicContact CD1-CB 4.22Å; I315-M817 HydrophobicContact CG2-SD 3.62Å; Y319-M817 HydrophobicContact CD2-CE 4.48Å; Y319-M817 HydrophobicContact CD2-SD 4Å; Y319-M817 HydrophobicContact CG-CE 4.17Å; Y319-M817 HydrophobicContact CG-SD 4.27Å; F320-M817 HydrophobicContact CE2-CE 3.91Å; F320-M817 HydrophobicContact CE2-SD 3.85Å; F320-M817 HydrophobicContact CZ-CE 4.04Å; F320-M817 HydrophobicContact CZ-SD 4.42Å; V640-M817 HydrophobicContact CG2-CB 4.24Å; K645-M817 HydrophobicContact CD-CE 4.06Å; A813-M817 WeakPolarHBondContact O-CB 3.25Å; A813-M817 PolarHBondContact O-N 3.28Å; D814-M817 PolarHBondContact O-N 3.09Å; I815-M817 VanDerWaalsContact C-N 3.28Å; I815-M817 PolarHBondContact O-N 2.8Å; M817-M820 PolarHBondContact O-N 3.18Å; M817-T821 PolarHBondContact O-N 3.05Å; M817-T821 PolarHBondContact O-OG1 3.12Å
818F95.6Very high87.5Confident0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-58.5-52.3175.3179.6-87.7000111.4F572 F608 I610 I637 Y648 F788 D814 I815 M820 T821 Y822F572-F818 HydrophobicContact CD1-CE1 4.32Å; F572-F818 HydrophobicContact CE1-CD1 4.45Å; F572-F818 HydrophobicContact CE1-CE1 4.14Å; F608-F818 HydrophobicContact CB-CE1 4.43Å; F608-F818 HydrophobicContact CD1-CE1 4.11Å; F608-F818 AromaticContact CD1-CZ 3.96Å; F608-F818 HydrophobicContact CD1-CZ 3.96Å; F608-F818 HydrophobicContact CG-CE1 4.34Å; I610-F818 HydrophobicContact CD1-CD1 3.74Å; I610-F818 HydrophobicContact CD1-CE1 3.64Å; I610-F818 HydrophobicContact CG1-CD1 4.49Å; I610-F818 HydrophobicContact CG1-CE1 4.13Å; I637-F818 HydrophobicContact CD1-CD2 4.19Å; I637-F818 HydrophobicContact CD1-CG 4.3Å; I637-F818 HydrophobicContact CG1-CD2 3.98Å; I637-F818 HydrophobicContact CG1-CE2 4.35Å; I637-F818 HydrophobicContact CG2-CB 4.15Å; I637-F818 HydrophobicContact CG2-CD2 4.32Å; Y648-F818 HydrophobicContact CD1-CE2 4.36Å; Y648-F818 HydrophobicContact CD2-CD2 4.1Å; Y648-F818 AromaticContact CD2-CE2 3.89Å; Y648-F818 HydrophobicContact CD2-CE2 3.89Å; Y648-F818 HydrophobicContact CE1-CD2 4.19Å; Y648-F818 HydrophobicContact CE1-CE2 4.25Å; Y648-F818 AromaticContact CE2-CD2 3.46Å; Y648-F818 HydrophobicContact CE2-CD2 3.46Å; Y648-F818 VanDerWaalsContact CE2-CD2 3.46Å; Y648-F818 AromaticContact CE2-CE2 3.75Å; Y648-F818 HydrophobicContact CE2-CE2 3.75Å; Y648-F818 HydrophobicContact CG-CE2 4.21Å; Y648-F818 AromaticContact CZ-CD2 3.52Å; Y648-F818 AromaticContact CZ-CE2 3.95Å; F788-F818 HydrophobicContact CB-CE2 4.36Å; F788-F818 HydrophobicContact CB-CZ 4.33Å; F788-F818 AromaticContact CD1-CE2 3.39Å; F788-F818 HydrophobicContact CD1-CE2 3.39Å; F788-F818 AromaticContact CD1-CZ 3.67Å; F788-F818 HydrophobicContact CD1-CZ 3.67Å; F788-F818 HydrophobicContact CD2-CE2 4.37Å; F788-F818 AromaticContact CD2-CZ 3.79Å; F788-F818 HydrophobicContact CD2-CZ 3.79Å; F788-F818 AromaticContact CE1-CE2 3.66Å; F788-F818 HydrophobicContact CE1-CE2 3.66Å; F788-F818 AromaticContact CE1-CZ 3.83Å; F788-F818 HydrophobicContact CE1-CZ 3.83Å; F788-F818 AromaticContact CE2-CZ 3.98Å; F788-F818 HydrophobicContact CE2-CZ 3.98Å; F788-F818 AromaticContact CG-CE2 3.77Å; F788-F818 HydrophobicContact CG-CE2 3.77Å; F788-F818 AromaticContact CG-CZ 3.64Å; F788-F818 HydrophobicContact CG-CZ 3.64Å; F788-F818 HydrophobicContact CZ-CE2 4.28Å; F788-F818 AromaticContact CZ-CZ 3.98Å; F788-F818 HydrophobicContact CZ-CZ 3.98Å; D814-F818 WeakPolarHBondContact O-CB 3.36Å; D814-F818 PolarHBondContact O-N 2.99Å; I815-F818 WeakPolarHBondContact O-CB 3.42Å; I815-F818 PolarHBondContact O-N 2.93Å; I815-F818 VanDerWaalsContact O-N 3.16Å; F818-M820 PolarHBondContact O-N 3.13Å; F818-T821 PolarHBondContact O-N 2.91Å; F818-Y822 HydrophobicContact CD1-CD2 4.14Å; F818-Y822 HydrophobicContact CD1-CE2 4.39Å; F818-Y822 HydrophobicContact CD2-CE2 4.14Å; F818-Y822 AromaticContact CE1-CD2 3.74Å; F818-Y822 HydrophobicContact CE1-CD2 3.74Å; F818-Y822 AromaticContact CE1-CE2 3.77Å; F818-Y822 HydrophobicContact CE1-CE2 3.77Å; F818-Y822 HydrophobicContact CE2-CD2 4.18Å; F818-Y822 AromaticContact CE2-CE2 3.49Å; F818-Y822 HydrophobicContact CE2-CE2 3.49Å; F818-Y822 VanDerWaalsContact CE2-CE2 3.49Å; F818-Y822 AromaticContact CZ-CD2 3.78Å; F818-Y822 HydrophobicContact CZ-CD2 3.78Å; F818-Y822 AromaticContact CZ-CE2 3.28Å; F818-Y822 HydrophobicContact CZ-CE2 3.28Å; F818-Y822 WeakPolarHBondContact O-CD2 3.46Å; F818-Y822 PolarHBondContact O-N 3.09Å
819I96Very high85.6Confident0 Ų038.5 Ų38.50%024%0.235CC..Hα-helixtrans-58.4-50.1178.8-69.1171000109.9I414 F572 I815 C816 T821 Y822 L823I414-I819 HydrophobicContact CD1-CD1 3.99Å; I414-I819 HydrophobicContact CD1-CG2 4.31Å; I414-I819 HydrophobicContact CG1-CD1 4.44Å; I414-I819 HydrophobicContact CG2-CD1 4.45Å; F572-I819 HydrophobicContact CD1-CG1 4.11Å; F572-I819 HydrophobicContact CE1-CG1 4.18Å; F572-I819 HydrophobicContact CE2-CG2 4.34Å; F572-I819 HydrophobicContact CG-CG1 4.4Å; F572-I819 HydrophobicContact CZ-CG2 4.32Å; I815-I819 HydrophobicContact CG2-CD1 3.69Å; I815-I819 HydrophobicContact CG2-CG1 4.18Å; I815-I819 WeakPolarHBondContact O-CG1 3.49Å; I815-I819 PolarHBondContact O-N 3.22Å; C816-I819 PolarHBondContact O-N 3.12Å; I819-T821 VanDerWaalsContact C-N 3.25Å; I819-T821 PolarHBondContact O-N 2.73Å; I819-Y822 PolarHBondContact O-N 2.98Å; I819-L823 HydrophobicContact CG2-CD1 3.71Å; I819-L823 HydrophobicContact CG2-CG 4.03Å; I819-L823 WeakPolarHBondContact O-CG 3.41Å; I819-L823 PolarHBondContact O-N 3.25Å
820M95.1Very high83.6Confident1 Ų141.2 Ų41.21%0.00525%0.254CS..Hα-helixtrans-57.2-37.4179.7-73.5-66.6-68.800112.8C312 I315 K316 F320 L323 V330 C816 M817 F818 Y822 L823 F824C312-M820 HydrophobicContact CB-CG 4.48Å; C312-M820 HydrophobicContact CB-SD 4.21Å; I315-M820 HydrophobicContact CG2-CB 4.46Å; I315-M820 HydrophobicContact CG2-CG 4.24Å; K316-M820 HydrophobicContact CB-CE 4.07Å; F320-M820 HydrophobicContact CD2-CB 4.43Å; F320-M820 HydrophobicContact CD2-CE 4.18Å; F320-M820 HydrophobicContact CE2-CB 3.78Å; F320-M820 HydrophobicContact CG-CE 4.39Å; F320-M820 HydrophobicContact CZ-CB 3.97Å; L323-M820 HydrophobicContact CD1-CE 4.49Å; V330-M820 HydrophobicContact CG1-SD 3.82Å; C816-M820 WeakPolarHBondContact O-CB 3.47Å; C816-M820 WeakPolarHBondContact O-CG 3.47Å; C816-M820 PolarHBondContact O-N 3.02Å; M817-M820 PolarHBondContact O-N 3.18Å; F818-M820 PolarHBondContact O-N 3.13Å; M820-Y822 VanDerWaalsContact C-N 3.3Å; M820-Y822 PolarHBondContact O-N 2.71Å; M820-L823 PolarHBondContact O-N 2.85Å; M820-F824 HydrophobicContact CE-CD2 3.92Å; M820-F824 HydrophobicContact CE-CE2 4.12Å; M820-F824 PolarHBondContact O-N 2.89Å; M820-F824 HydrophobicContact SD-CD2 4.38Å; M820-F824 HydrophobicContact SD-CE2 4.39Å
821T93.7Very high81.3Confident36 Ų3647.4 Ų47.422%0.22129%0.293CS..Hα-helixtrans-66.3-30.6178-55.40000112.6M817 F818 I819 F824 P825M817-T821 PolarHBondContact O-N 3.05Å; M817-T821 PolarHBondContact O-OG1 3.12Å; F818-T821 PolarHBondContact O-N 2.91Å; I819-T821 VanDerWaalsContact C-N 3.25Å; I819-T821 PolarHBondContact O-N 2.73Å; T821-F824 CarbonylContact O-C 3.53Å; T821-P825 VanDerWaalsContact O-CA 3.31Å; T821-P825 WeakPolarHBondContact O-CA 3.02Å
822Y94.2Very high79.4Confident42 Ų4252.1 Ų52.117%0.16532%0.316CS..Hα-helixtrans-88.1-25.9176.6-80.1-75.2000113.6F608 Y648 F818 I819 M820F608-Y822 HydrophobicContact CD1-CE2 4.42Å; F608-Y822 AromaticContact CE1-CD1 3.72Å; F608-Y822 HydrophobicContact CE1-CD1 3.72Å; F608-Y822 HydrophobicContact CE1-CD2 4.07Å; F608-Y822 AromaticContact CE1-CE1 3.49Å; F608-Y822 HydrophobicContact CE1-CE1 3.49Å; F608-Y822 VanDerWaalsContact CE1-CE1 3.49Å; F608-Y822 AromaticContact CE1-CE2 3.86Å; F608-Y822 HydrophobicContact CE1-CE2 3.86Å; F608-Y822 AromaticContact CE1-CG 4Å; F608-Y822 HydrophobicContact CE1-CG 4Å; F608-Y822 AromaticContact CE1-CZ 3.55Å; F608-Y822 HydrophobicContact CE2-CD1 4.45Å; F608-Y822 HydrophobicContact CE2-CG 4.46Å; F608-Y822 AromaticContact CZ-CD1 3.43Å; F608-Y822 HydrophobicContact CZ-CD1 3.43Å; F608-Y822 VanDerWaalsContact CZ-CD1 3.43Å; F608-Y822 HydrophobicContact CZ-CD2 4.26Å; F608-Y822 AromaticContact CZ-CE1 3.66Å; F608-Y822 HydrophobicContact CZ-CE1 3.66Å; F608-Y822 HydrophobicContact CZ-CE2 4.45Å; F608-Y822 AromaticContact CZ-CG 3.75Å; F608-Y822 HydrophobicContact CZ-CG 3.75Å; Y648-Y822 WeakPolarHBondContact CB-OH 3.39Å; Y648-Y822 AromaticContact CD2-CE2 3.89Å; Y648-Y822 HydrophobicContact CD2-CE2 3.89Å; Y648-Y822 HydrophobicContact CE2-CE2 4.44Å; F818-Y822 HydrophobicContact CD1-CD2 4.14Å; F818-Y822 HydrophobicContact CD1-CE2 4.39Å; F818-Y822 HydrophobicContact CD2-CE2 4.14Å; F818-Y822 AromaticContact CE1-CD2 3.74Å; F818-Y822 HydrophobicContact CE1-CD2 3.74Å; F818-Y822 AromaticContact CE1-CE2 3.77Å; F818-Y822 HydrophobicContact CE1-CE2 3.77Å; F818-Y822 HydrophobicContact CE2-CD2 4.18Å; F818-Y822 AromaticContact CE2-CE2 3.49Å; F818-Y822 HydrophobicContact CE2-CE2 3.49Å; F818-Y822 VanDerWaalsContact CE2-CE2 3.49Å; F818-Y822 AromaticContact CZ-CD2 3.78Å; F818-Y822 HydrophobicContact CZ-CD2 3.78Å; F818-Y822 AromaticContact CZ-CE2 3.28Å; F818-Y822 HydrophobicContact CZ-CE2 3.28Å; F818-Y822 WeakPolarHBondContact O-CD2 3.46Å; F818-Y822 PolarHBondContact O-N 3.09Å; I819-Y822 PolarHBondContact O-N 2.98Å; M820-Y822 VanDerWaalsContact C-N 3.3Å; M820-Y822 PolarHBondContact O-N 2.71Å
823L95.6Very high78.8Confident3 Ų352.8 Ų52.82%0.01632%0.321CS..Hα-helixtrans-75.3-37.1171.4-61.9-178.4000111.8H284 V330 F572 I819 M820H284-L823 PolarHBondContact CE1-O 3.31Å; V330-L823 HydrophobicContact CB-CD1 4.17Å; V330-L823 HydrophobicContact CG2-CD1 3.68Å; F572-L823 HydrophobicContact CE2-CD2 4.32Å; I819-L823 HydrophobicContact CG2-CD1 3.71Å; I819-L823 HydrophobicContact CG2-CG 4.03Å; I819-L823 WeakPolarHBondContact O-CG 3.41Å; I819-L823 PolarHBondContact O-N 3.25Å; M820-L823 PolarHBondContact O-N 2.85Å
824F94.1Very high78Confident16 Ų1653.7 Ų53.77%0.0732%0.323CS..SBendtrans-130.682.2179.5-55.7-70.3000109.8S283 H284 F320 L323 K328 V330 M820 T821 L826S283-F824 WeakPolarHBondContact OG-CE1 3.1Å; H284-F824 HydrophobicContact CB-CZ 4.26Å; H284-F824 AromaticContact ND1-CE1 3.95Å; F320-F824 HydrophobicContact CD1-CB 4.25Å; F320-F824 HydrophobicContact CE1-CB 4.34Å; L323-F824 HydrophobicContact CD1-CB 4.27Å; L323-F824 HydrophobicContact CD1-CD1 4.1Å; L323-F824 HydrophobicContact CD1-CD2 3.65Å; L323-F824 HydrophobicContact CD1-CE1 4.4Å; L323-F824 HydrophobicContact CD1-CE2 3.98Å; L323-F824 HydrophobicContact CD1-CG 3.72Å; L323-F824 HydrophobicContact CD1-CZ 4.35Å; L323-F824 HydrophobicContact CD2-CB 4.28Å; L323-F824 HydrophobicContact CD2-CD1 3.75Å; L323-F824 HydrophobicContact CD2-CE1 4.3Å; L323-F824 HydrophobicContact CD2-CG 4Å; K328-F824 HydrophobicContact CB-CE1 4.44Å; V330-F824 HydrophobicContact CB-CE2 3.91Å; V330-F824 HydrophobicContact CB-CZ 4.12Å; V330-F824 HydrophobicContact CG1-CE2 4.11Å; M820-F824 HydrophobicContact CE-CD2 3.92Å; M820-F824 HydrophobicContact CE-CE2 4.12Å; M820-F824 PolarHBondContact O-N 2.89Å; M820-F824 HydrophobicContact SD-CD2 4.38Å; M820-F824 HydrophobicContact SD-CE2 4.39Å; T821-F824 CarbonylContact O-C 3.53Å; F824-L826 PolarHBondContact O-N 2.54Å; F824-L826 VanDerWaalsContact O-N 3.16Å
825P85.2Confident77.1Confident101 Ų10155.4 Ų55.466%0.65633%0.334SS*.PPolyproline II helixtrans-55.3122.4177.9-25.434.7000111.1T821 Q827T821-P825 VanDerWaalsContact O-CA 3.31Å; T821-P825 WeakPolarHBondContact O-CA 3.02Å; P825-Q827 PolarHBondContact O-N 2.88Å
826L70.2Confident76Confident64 Ų6458.6 Ų58.634%0.33535%0.353SS..PPolyproline II helixtrans-63.1132.3175.1-66.3171.4000109F320 F824F320-L826 HydrophobicContact CD1-CD2 3.85Å; F320-L826 HydrophobicContact CE1-CD2 3.5Å; F320-L826 HydrophobicContact CE1-CG 3.93Å; F320-L826 HydrophobicContact CZ-CD2 4.28Å; F320-L826 HydrophobicContact CZ-CG 4.47Å; F824-L826 PolarHBondContact O-N 2.54Å; F824-L826 VanDerWaalsContact O-N 3.16Å
827Q61Low74.8Confident147 Ų14762.3 Ų62.369%0.68738%0.375SS*.PPolyproline II helixtrans-62.1137.1176.7-68.4-172.15.600109.5P825 G829 S830P825-Q827 PolarHBondContact O-N 2.88Å; Q827-G829 PolarHBondContact O-N 2.78Å; Q827-S830 PolarHBondContact O-N 2.93Å; Q827-S830 VanDerWaalsContact O-N 3.16Å; Q827-S830 PolarHBondContact O-OG 3.43Å
828P50.3Low73.4Confident142 Ų14265.9 Ų65.992%0.92240%0.398SS*.THydrogen-bonded Turntrans-56.3110.9176.5-20.429.9000110.3
829G45.4Very low71.9Confident70 Ų7070.6 Ų70.672%0.72243%0.426SS*.THydrogen-bonded Turntrans109.51.1178.400000116.7Q827 T831Q827-G829 PolarHBondContact O-N 2.78Å; G829-T831 PolarHBondContact O-N 3.13Å
830S47.2Very low70Confident61 Ų6176 Ų7643%0.42746%0.459SS..  trans-70.4114.1167.459.40000109.8Q827 D832Q827-S830 PolarHBondContact O-N 2.93Å; Q827-S830 VanDerWaalsContact O-N 3.16Å; Q827-S830 PolarHBondContact O-OG 3.43Å; S830-D832 VanDerWaalsContact C-N 3.3Å; S830-D832 PolarHBondContact O-N 3.16Å
831T38.1Very low67.9Low137 Ų13782.3 Ų82.384%0.8450%0.497SS*.  trans-8924.6-17649.60000114.4G829G829-T831 PolarHBondContact O-N 3.13Å
832D40Very low65.6Low168 Ų16886.5 Ų86.590%0.89852%0.522SS*.  trans-100.30-177.3-69.3-13.5000113.1S830S830-D832 VanDerWaalsContact C-N 3.3Å; S830-D832 PolarHBondContact O-N 3.16Å

Retrieved 832 of 832 residues in 1528.2 ms (Link to these results)

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