A0A077Z236_TRITR Loading...

SMC N domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z236, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 557 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
1M83.2Confident94.9Very high29 Ų2931.5 Ų31.514%0.14314%0.141CC..  0128.30-175.1178.7-70.300110.6F78 D79 P87 I96 A129 P421M1-F78 HydrophobicContact CG-CB 3.71Å; M1-F78 HydrophobicContact CG-CD1 3.77Å; M1-F78 HydrophobicContact CG-CG 4.06Å; M1-F78 HydrophobicContact SD-CB 3.97Å; M1-F78 HydrophobicContact SD-CD1 3.92Å; M1-F78 HydrophobicContact SD-CG 3.99Å; M1-D79 WeakPolarHBondContact CA-O 3.43Å; M1-D79 WeakPolarHBondContact CG-O 3.33Å; M1-P87 VanDerWaalsContact CE-CD 3.48Å; M1-P87 HydrophobicContact CE-CG 3.54Å; M1-I96 HydrophobicContact CE-CD1 3.72Å; M1-A129 HydrophobicContact CE-CB 3.94Å; M1-A129 HydrophobicContact SD-CB 3.63Å; M1-P421 WeakPolarHBondContact O-CB 3.46Å
2F89Confident94.9Very high46 Ų4631.3 Ų31.320%0.20214%0.14CC..  trans-144160.817354.8-93.6000109.9R4 P25 F78 D79 Q452F2-R4 HydrophobicContact CD2-CG 4.22Å; F2-R4 HydrophobicContact CE2-CG 3.74Å; F2-R4 PolarHBondContact O-N 3.23Å; F2-P25 HydrophobicContact CD1-CB 4.1Å; F2-P25 HydrophobicContact CD2-CB 4.13Å; F2-P25 HydrophobicContact CD2-CG 4.23Å; F2-P25 HydrophobicContact CE1-CB 4.09Å; F2-P25 HydrophobicContact CE1-CG 4.21Å; F2-P25 HydrophobicContact CE2-CB 4.11Å; F2-P25 HydrophobicContact CE2-CG 3.76Å; F2-P25 HydrophobicContact CG-CB 4.13Å; F2-P25 HydrophobicContact CZ-CB 4.1Å; F2-P25 HydrophobicContact CZ-CG 3.75Å; F2-F78 CarbonylContact O-C 3.58Å; F2-F78 VanDerWaalsContact O-CA 3.29Å; F2-F78 WeakPolarHBondContact O-CA 3.26Å; F2-D79 HydrophobicContact CD1-CB 3.91Å; F2-D79 HydrophobicContact CD2-CB 3.96Å; F2-D79 HydrophobicContact CE1-CB 3.62Å; F2-D79 VanDerWaalsContact CE1-CG 3.5Å; F2-D79 HydrophobicContact CE2-CB 3.68Å; F2-D79 HydrophobicContact CG-CB 4.06Å; F2-D79 HydrophobicContact CZ-CB 3.49Å; F2-D79 VanDerWaalsContact CZ-CB 3.49Å; F2-D79 VanDerWaalsContact CZ-CG 3.43Å; F2-D79 WeakPolarHBondContact CZ-OD2 3.41Å; F2-D79 PolarHBondContact O-N 2.62Å; F2-Q452 HydrophobicContact CB-CB 4.17Å
3I95.1Very high94.9Very high4 Ų430.2 Ų30.22%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-74.8119.6179.1-56.3173.2000108.6I6 I23 V45 L76 F78 V422 Q452I3-I6 HydrophobicContact CG2-CD1 4.48Å; I3-I6 HydrophobicContact CG2-CG1 3.81Å; I3-I23 HydrophobicContact CG2-CD1 3.9Å; I3-I23 WeakPolarHBondContact O-CB 3.45Å; I3-V45 HydrophobicContact CD1-CG1 3.85Å; I3-L76 HydrophobicContact CG2-CD2 4.41Å; I3-F78 HydrophobicContact CD1-CE1 4.33Å; I3-F78 HydrophobicContact CG1-CD1 3.97Å; I3-F78 HydrophobicContact CG1-CE1 3.48Å; I3-F78 VanDerWaalsContact CG1-CE1 3.48Å; I3-F78 HydrophobicContact CG1-CZ 4.05Å; I3-V422 HydrophobicContact CD1-CG1 4.01Å; I3-V422 HydrophobicContact CG1-CG1 4.47Å; I3-V422 HydrophobicContact CG1-CG2 4.31Å; I3-Q452 PolarHBondContact O-NE2 3.38Å
4R94.9Very high95Very high108 Ų10828 Ų2841%0.40813%0.128SC..EExtended strand (participates in β ladder)trans-89.7-39.6173.5-76.7-177.3168-158.41.2112.3F2 I23 V77 D79F2-R4 HydrophobicContact CD2-CG 4.22Å; F2-R4 HydrophobicContact CE2-CG 3.74Å; F2-R4 PolarHBondContact O-N 3.23Å; R4-I23 PolarHBondContact O-N 2.73Å; R4-V77 PolarHBondContact N-O 3.45Å; R4-D79 HydrophobicContact CG-CB 3.91Å; R4-D79 IonicContact CZ-OD2 2.76Å; R4-D79 IonicContact NE-OD2 2.7Å; R4-D79 PolarHBondContact NE-OD2 3.06Å; R4-D79 IonicContact NH2-OD2 3.53Å; R4-D79 PolarHBondContact NH2-OD2 3.27Å
5E97.5Very high94.7Very high48 Ų4827.1 Ų27.122%0.22413%0.13CC..EExtended strand (participates in β ladder)trans-143.6141.1-173.7-173.3177.915100111.4V7 V19 I20 Q21 V77E5-V7 HydrophobicContact CG-CG2 4.05Å; E5-V7 VanDerWaalsContact OE1-CG2 3.25Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.49Å; E5-V19 HydrophobicContact CG-CG1 3.69Å; E5-V19 WeakPolarHBondContact OE1-CG1 3.07Å; E5-I20 VanDerWaalsContact CA-O 3.31Å; E5-I20 WeakPolarHBondContact CA-O 3.46Å; E5-Q21 HydrophobicContact CG-CG 4.15Å; E5-V77 HydrophobicContact CB-CB 3.96Å; E5-V77 HydrophobicContact CB-CG2 4.02Å; E5-V77 PolarHBondContact N-O 3.28Å; E5-V77 PolarHBondContact O-N 2.95Å
6I98.4Very high94.6Very high1 Ų133.9 Ų33.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-118.2119170.3-55.6161.7000107.8I3 M8 I20 I23 I41 V45 V74 L76 L454I3-I6 HydrophobicContact CG2-CD1 4.48Å; I3-I6 HydrophobicContact CG2-CG1 3.81Å; I6-M8 HydrophobicContact CG2-CG 4.08Å; I6-M8 HydrophobicContact CG2-SD 4.45Å; I6-I20 HydrophobicContact CB-CB 4.18Å; I6-I20 PolarHBondContact N-O 3.01Å; I6-I20 PolarHBondContact O-N 2.87Å; I6-I23 HydrophobicContact CD1-CD1 3.64Å; I6-I23 HydrophobicContact CG1-CD1 3.65Å; I6-I41 HydrophobicContact CD1-CG2 4.06Å; I6-V45 HydrophobicContact CD1-CG2 3.55Å; I6-V45 HydrophobicContact CG1-CG2 4.08Å; I6-V45 HydrophobicContact CG2-CG2 4.42Å; I6-V74 HydrophobicContact CG2-CG1 4.47Å; I6-L76 HydrophobicContact CB-CD2 4.23Å; I6-L76 HydrophobicContact CG1-CD2 3.74Å; I6-L76 HydrophobicContact CG2-CD2 3.99Å; I6-L454 HydrophobicContact CD1-CD2 4.15Å
7V98.3Very high94.6Very high11 Ų1141.2 Ų41.27%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-109122.3175.7-171.50000108.4E5 E9 T18 V19 V74 S75E5-V7 HydrophobicContact CG-CG2 4.05Å; E5-V7 VanDerWaalsContact OE1-CG2 3.25Å; E5-V7 WeakPolarHBondContact OE1-CG2 3.49Å; V7-E9 HydrophobicContact CG1-CG 4.35Å; V7-T18 WeakPolarHBondContact CA-O 3.44Å; V7-V19 HydrophobicContact CG1-CG2 4.39Å; V7-V19 HydrophobicContact CG2-CG1 4.27Å; V7-V74 CarbonylContact O-C 3.49Å; V7-V74 VanDerWaalsContact O-CA 3.29Å; V7-V74 WeakPolarHBondContact O-CA 3.43Å; V7-S75 PolarHBondContact N-O 2.73Å; V7-S75 PolarHBondContact O-N 3.15Å
8M98.2Very high94.7Very high0 Ų039.8 Ų39.80%018%0.18CC..EExtended strand (participates in β ladder)trans-122.9131.2175.2-64.9176.6-69.700109.4I6 F11 Y14 R17 T18 I20 I41 V74I6-M8 HydrophobicContact CG2-CG 4.08Å; I6-M8 HydrophobicContact CG2-SD 4.45Å; M8-F11 HydrophobicContact CB-CB 4.35Å; M8-F11 HydrophobicContact SD-CD1 4.26Å; M8-Y14 HydrophobicContact CE-CD1 4.13Å; M8-Y14 HydrophobicContact CE-CD2 3.63Å; M8-Y14 HydrophobicContact CE-CE1 4.18Å; M8-Y14 HydrophobicContact CE-CE2 3.69Å; M8-Y14 HydrophobicContact CE-CG 3.86Å; M8-Y14 HydrophobicContact SD-CD2 3.82Å; M8-Y14 HydrophobicContact SD-CE2 4.19Å; M8-Y14 HydrophobicContact SD-CG 4.36Å; M8-R17 CarbonylContact O-C 3.57Å; M8-R17 WeakPolarHBondContact O-CA 3.33Å; M8-T18 PolarHBondContact N-O 3.4Å; M8-T18 PolarHBondContact O-N 3.34Å; M8-I20 HydrophobicContact CE-CD1 3.9Å; M8-I41 HydrophobicContact CE-CG1 4.04Å; M8-V74 HydrophobicContact CG-CG1 3.84Å; M8-V74 HydrophobicContact CG-CG2 4.07Å
9E96.6Very high94.8Very high70 Ų7040.1 Ų40.133%0.32719%0.185SC..EExtended strand (participates in β ladder)trans-129.3122.9174-43.4-172.9171.400109.1V7 F11 R17 A72 I73V7-E9 HydrophobicContact CG1-CG 4.35Å; E9-F11 PolarHBondContact O-N 3.23Å; E9-R17 HydrophobicContact CG-CB 3.91Å; E9-R17 HydrophobicContact CG-CG 3.84Å; E9-R17 WeakPolarHBondContact OE1-CD 3.35Å; E9-R17 WeakPolarHBondContact OE1-CG 3.5Å; E9-R17 IonicContact OE1-CZ 3.39Å; E9-R17 IonicContact OE1-NE 2.7Å; E9-R17 PolarHBondContact OE1-NE 3.47Å; E9-A72 WeakPolarHBondContact O-CA 3.4Å; E9-I73 HydrophobicContact CB-CG2 3.68Å; E9-I73 HydrophobicContact CG-CG2 3.9Å; E9-I73 PolarHBondContact N-O 3.19Å; E9-I73 PolarHBondContact O-N 2.77Å
10N96.3Very high94.9Very high30 Ų3038.4 Ų38.416%0.1618%0.177CC..SBendtrans57.728.2177.2-163.646.4000114.2Y14 H67 I68 T71 A72N10-Y14 CarbonylContact C-O 3.56Å; N10-Y14 WeakPolarHBondContact CA-O 3.07Å; N10-Y14 PolarHBondContact N-O 3.41Å; N10-H67 WeakPolarHBondContact O-CB 3.41Å; N10-H67 PolarHBondContact O-N 3.12Å; N10-H67 WeakPolarHBondContact OD1-CB 3.44Å; N10-I68 PolarHBondContact ND2-O 3.18Å; N10-I68 PolarHBondContact OD1-N 3.37Å; N10-I68 PolarHBondContact OD1-O 2.93Å; N10-T71 PolarHBondContact ND2-O 3.33Å; N10-A72 WeakPolarHBondContact O-CB 3.34Å
11F96.5Very high94.8Very high0 Ų041.4 Ų41.40%019%0.191CC..BIsolated β-bridgetrans-99.4119.5-176-177.8-95.5000111.1M8 E9 S13 Y14 N40 D43 G44 F47 L65 A72 V74M8-F11 HydrophobicContact CB-CB 4.35Å; M8-F11 HydrophobicContact SD-CD1 4.26Å; E9-F11 PolarHBondContact O-N 3.23Å; F11-S13 PolarHBondContact O-N 3.28Å; F11-Y14 PolarHBondContact N-O 3.38Å; F11-Y14 WeakPolarHBondContact O-CA 3.41Å; F11-Y14 WeakPolarHBondContact O-CB 3.4Å; F11-Y14 PolarHBondContact O-N 2.99Å; F11-N40 WeakPolarHBondContact CE1-O 3.37Å; F11-D43 HydrophobicContact CE1-CB 4.05Å; F11-D43 HydrophobicContact CZ-CB 4.14Å; F11-G44 VanDerWaalsContact CE1-CA 3.42Å; F11-G44 VanDerWaalsContact CE1-N 3.33Å; F11-F47 HydrophobicContact CD2-CD1 4.26Å; F11-F47 HydrophobicContact CE2-CB 4.07Å; F11-F47 AromaticContact CE2-CD1 3.75Å; F11-F47 HydrophobicContact CE2-CD1 3.75Å; F11-F47 HydrophobicContact CE2-CE1 4.36Å; F11-F47 AromaticContact CE2-CG 3.93Å; F11-F47 HydrophobicContact CE2-CG 3.93Å; F11-F47 HydrophobicContact CZ-CB 4.15Å; F11-F47 HydrophobicContact CZ-CG 4.5Å; F11-L65 CarbonylContact C-O 3.32Å; F11-L65 WeakPolarHBondContact CA-O 3.29Å; F11-L65 HydrophobicContact CD2-CB 4.29Å; F11-L65 WeakPolarHBondContact CD2-O 3.25Å; F11-L65 HydrophobicContact CE2-CB 3.89Å; F11-L65 HydrophobicContact CE2-CD1 4.42Å; F11-L65 HydrophobicContact CE2-CD2 4Å; F11-L65 HydrophobicContact CE2-CG 4.33Å; F11-L65 HydrophobicContact CZ-CD2 4.06Å; F11-A72 HydrophobicContact CB-CB 4.41Å; F11-A72 HydrophobicContact CD2-CB 4.49Å; F11-V74 HydrophobicContact CB-CG2 3.94Å; F11-V74 HydrophobicContact CD1-CG2 4.16Å; F11-V74 HydrophobicContact CD2-CG2 3.51Å; F11-V74 HydrophobicContact CE2-CG2 3.99Å; F11-V74 HydrophobicContact CG-CG2 3.6Å
12K95Very high95.2Very high28 Ų2845.3 Ų45.312%0.12221%0.213CC..THydrogen-bonded Turntrans48.9-103.5-179.5-66.9-165.7170.2-158.70114.6N40 D43 V57 R58 L65 H67K12-N40 HydrophobicContact CB-CB 4.24Å; K12-N40 HydrophobicContact CD-CB 4.2Å; K12-N40 VanDerWaalsContact CD-OD1 3.22Å; K12-N40 WeakPolarHBondContact CD-OD1 3.43Å; K12-D43 HydrophobicContact CD-CB 4.34Å; K12-D43 IonicContact NZ-OD2 3.63Å; K12-D43 PolarHBondContact NZ-OD2 2.86Å; K12-V57 WeakPolarHBondContact CE-O 3.26Å; K12-V57 PolarHBondContact NZ-O 3.39Å; K12-R58 PolarHBondContact NZ-O 3.41Å; K12-L65 PolarHBondContact N-O 2.85Å; K12-H67 WeakPolarHBondContact O-CA 3.29Å; K12-H67 WeakPolarHBondContact O-CB 3.29Å; K12-H67 VanDerWaalsContact O-CG 3.24Å; K12-H67 PolarHBondContact O-ND1 2.98Å
13S94.7Very high95.5Very high17 Ų1743.6 Ų43.612%0.11921%0.206CC..THydrogen-bonded Turntrans-93.6-8177.8640000113.3F11 G15 N40 S479F11-S13 PolarHBondContact O-N 3.28Å; S13-G15 PolarHBondContact O-N 2.94Å; S13-N40 WeakPolarHBondContact CB-ND2 3.49Å; S13-N40 PolarHBondContact OG-ND2 2.87Å; S13-S479 VanDerWaalsContact CB-OG 3.26Å; S13-S479 WeakPolarHBondContact CB-OG 3.25Å; S13-S479 PolarHBondContact O-N 2.94Å; S13-S479 WeakPolarHBondContact OG-CB 3.38Å; S13-S479 PolarHBondContact OG-OG 3.3Å
14Y95.9Very high95.4Very high0 Ų044.3 Ų44.30%021%0.209CC..BIsolated β-bridgetrans-90.971.7177.1-65.4-77.2000110.3M8 N10 F11 K16 T18 G37 N40 I41 S479 V481M8-Y14 HydrophobicContact CE-CD1 4.13Å; M8-Y14 HydrophobicContact CE-CD2 3.63Å; M8-Y14 HydrophobicContact CE-CE1 4.18Å; M8-Y14 HydrophobicContact CE-CE2 3.69Å; M8-Y14 HydrophobicContact CE-CG 3.86Å; M8-Y14 HydrophobicContact SD-CD2 3.82Å; M8-Y14 HydrophobicContact SD-CE2 4.19Å; M8-Y14 HydrophobicContact SD-CG 4.36Å; N10-Y14 CarbonylContact C-O 3.56Å; N10-Y14 WeakPolarHBondContact CA-O 3.07Å; N10-Y14 PolarHBondContact N-O 3.41Å; F11-Y14 PolarHBondContact N-O 3.38Å; F11-Y14 WeakPolarHBondContact O-CA 3.41Å; F11-Y14 WeakPolarHBondContact O-CB 3.4Å; F11-Y14 PolarHBondContact O-N 2.99Å; Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 2.78Å; Y14-T18 HydrophobicContact CD1-CG2 3.81Å; Y14-T18 WeakPolarHBondContact CD1-OG1 3.23Å; Y14-T18 HydrophobicContact CE1-CG2 4.03Å; Y14-G37 PolarHBondContact OH-O 3.43Å; Y14-N40 HydrophobicContact CD2-CB 4.29Å; Y14-N40 HydrophobicContact CE2-CB 3.95Å; Y14-I41 HydrophobicContact CE2-CG1 3.81Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.26Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.47Å; Y14-S479 VanDerWaalsContact CD1-O 3.23Å; Y14-S479 WeakPolarHBondContact CD1-O 3.49Å; Y14-S479 WeakPolarHBondContact CE1-O 3.35Å; Y14-V481 HydrophobicContact CE1-CG2 3.63Å
15G91.5Very high95.1Very high15 Ų1541.3 Ų41.316%0.15520%0.204CC..  trans-64.2-29.5-178.900000114.8S13 H67S13-G15 PolarHBondContact O-N 2.94Å; G15-H67 WeakPolarHBondContact CA-CD2 3.34Å
16K91.8Very high94.7Very high136 Ų13642.2 Ų42.259%0.59121%0.208SC*.SBendtrans-100.7160.3175-72.6173.1-174.5163.60110.9Y14 T18 Q478Y14-K16 VanDerWaalsContact C-N 3.3Å; Y14-K16 PolarHBondContact O-N 2.78Å; K16-T18 PolarHBondContact O-N 3.48Å; K16-T18 PolarHBondContact O-OG1 3.04Å; K16-Q478 VanDerWaalsContact CG-OE1 3.25Å
17R94.9Very high94.4Very high158 Ų15842.3 Ų42.360%0.59621%0.208SC*.  trans-56.2110.8169.5179.2172.1-161.1-96.3-5.7110M8 E9 V19M8-R17 CarbonylContact O-C 3.57Å; M8-R17 WeakPolarHBondContact O-CA 3.33Å; E9-R17 HydrophobicContact CG-CB 3.91Å; E9-R17 HydrophobicContact CG-CG 3.84Å; E9-R17 WeakPolarHBondContact OE1-CD 3.35Å; E9-R17 WeakPolarHBondContact OE1-CG 3.5Å; E9-R17 IonicContact OE1-CZ 3.39Å; E9-R17 IonicContact OE1-NE 2.7Å; E9-R17 PolarHBondContact OE1-NE 3.47Å; R17-V19 HydrophobicContact CG-CG2 4.36Å
18T96.3Very high94.3Very high15 Ų1541.8 Ų41.89%0.09221%0.205CC..EExtended strand (participates in β ladder)trans-116.9127.3-179.2-55.90000108.3V7 M8 Y14 K16 V481V7-T18 WeakPolarHBondContact CA-O 3.44Å; M8-T18 PolarHBondContact N-O 3.4Å; M8-T18 PolarHBondContact O-N 3.34Å; Y14-T18 HydrophobicContact CD1-CG2 3.81Å; Y14-T18 WeakPolarHBondContact CD1-OG1 3.23Å; Y14-T18 HydrophobicContact CE1-CG2 4.03Å; K16-T18 PolarHBondContact O-N 3.48Å; K16-T18 PolarHBondContact O-OG1 3.04Å; T18-V481 HydrophobicContact CG2-CG2 4.11Å
19V97.1Very high94.1Very high46 Ų4641.8 Ų41.828%0.27921%0.205SC..EExtended strand (participates in β ladder)trans-118.3116.9-178-168.10000108.9E5 V7 R17 Q21E5-V19 HydrophobicContact CG-CG1 3.69Å; E5-V19 WeakPolarHBondContact OE1-CG1 3.07Å; V7-V19 HydrophobicContact CG1-CG2 4.39Å; V7-V19 HydrophobicContact CG2-CG1 4.27Å; R17-V19 HydrophobicContact CG-CG2 4.36Å; V19-Q21 HydrophobicContact CB-CG 4.3Å; V19-Q21 HydrophobicContact CG1-CG 3.38Å
20I97.1Very high94.1Very high6 Ų638.5 Ų38.53%0.03119%0.19CC..EExtended strand (participates in β ladder)trans-98.899174-54.9177.7000106.9E5 I6 M8 I23 I41 Y470 V481E5-I20 VanDerWaalsContact CA-O 3.31Å; E5-I20 WeakPolarHBondContact CA-O 3.46Å; I6-I20 HydrophobicContact CB-CB 4.18Å; I6-I20 PolarHBondContact N-O 3.01Å; I6-I20 PolarHBondContact O-N 2.87Å; M8-I20 HydrophobicContact CE-CD1 3.9Å; I20-I23 HydrophobicContact CG2-CD1 4.17Å; I20-I23 HydrophobicContact CG2-CG1 4.12Å; I20-I41 HydrophobicContact CD1-CB 4.36Å; I20-I41 HydrophobicContact CD1-CD1 3.72Å; I20-I41 HydrophobicContact CD1-CG1 3.87Å; I20-I41 HydrophobicContact CD1-CG2 3.55Å; I20-Y470 HydrophobicContact CG2-CD1 3.69Å; I20-Y470 HydrophobicContact CG2-CE1 3.35Å; I20-Y470 HydrophobicContact CG2-CE2 4.36Å; I20-Y470 HydrophobicContact CG2-CG 4.32Å; I20-V481 HydrophobicContact CD1-CG2 4.22Å; I20-V481 HydrophobicContact CG1-CG1 4.46Å; I20-V481 HydrophobicContact CG1-CG2 4.3Å
21Q93.5Very high94Very high102 Ų10237.8 Ų37.848%0.47719%0.187SC..  trans-98.8170.3-177-58.2-174.7-39.100111.9E5 V19 I23 Y470E5-Q21 HydrophobicContact CG-CG 4.15Å; V19-Q21 HydrophobicContact CB-CG 4.3Å; V19-Q21 HydrophobicContact CG1-CG 3.38Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.03Å; Q21-Y470 PolarHBondContact O-OH 3.36Å
22D90.2Very high93.8Very high111 Ų11138.6 Ų38.659%0.59420%0.195SC*.  trans52.243.5173-55.8-39.4000113.4D24 Y470 R483D22-D24 PolarHBondContact O-N 3.43Å; D22-Y470 VanDerWaalsContact C-OH 3.29Å; D22-Y470 PolarHBondContact O-OH 2.98Å; D22-R483 PolarHBondContact O-NE 3Å; D22-R483 VanDerWaalsContact O-NE 3.11Å; D22-R483 PolarHBondContact O-NH2 3.37Å
23I95.2Very high93.6Very high10 Ų1044.1 Ų44.15%0.05123%0.225CC..  trans-68.3124.2174.3-58.2173.7000107.7I3 R4 I6 I20 Q21 N28 Q452 Y470I3-I23 HydrophobicContact CG2-CD1 3.9Å; I3-I23 WeakPolarHBondContact O-CB 3.45Å; R4-I23 PolarHBondContact O-N 2.73Å; I6-I23 HydrophobicContact CD1-CD1 3.64Å; I6-I23 HydrophobicContact CG1-CD1 3.65Å; I20-I23 HydrophobicContact CG2-CD1 4.17Å; I20-I23 HydrophobicContact CG2-CG1 4.12Å; Q21-I23 VanDerWaalsContact C-N 3.27Å; Q21-I23 PolarHBondContact O-N 3.03Å; I23-N28 HydrophobicContact CG2-CB 4.49Å; I23-N28 WeakPolarHBondContact CG2-OD1 2.95Å; I23-Q452 VanDerWaalsContact CG2-NE2 3.3Å; I23-Y470 WeakPolarHBondContact CA-OH 3.41Å; I23-Y470 HydrophobicContact CG1-CE2 4.43Å; I23-Y470 WeakPolarHBondContact CG1-OH 3.31Å; I23-Y470 PolarHBondContact N-OH 3.24Å
24D93Very high93.4Very high19 Ų1949.2 Ų49.210%0.10225%0.251CS..  trans-66.8143-178.1-170.4-86.5000110.3D22 H26 N28 Q452 N467 V468D22-D24 PolarHBondContact O-N 3.43Å; D24-H26 PolarHBondContact O-N 2.75Å; D24-H26 WeakPolarHBondContact OD1-CA 3.32Å; D24-H26 WeakPolarHBondContact OD1-CB 3.45Å; D24-H26 IonicContact OD1-CG 3.14Å; D24-H26 PolarHBondContact OD1-N 2.72Å; D24-H26 IonicContact OD1-ND1 2.94Å; D24-H26 PolarHBondContact OD1-ND1 3.22Å; D24-N28 WeakPolarHBondContact CB-OD1 3.49Å; D24-N28 PolarHBondContact N-OD1 2.57Å; D24-N28 PolarHBondContact O-ND2 3.23Å; D24-Q452 PolarHBondContact O-NE2 3.24Å; D24-N467 HydrophobicContact CB-CB 4.04Å; D24-V468 HydrophobicContact CB-CB 4.43Å; D24-V468 HydrophobicContact CB-CG2 3.8Å
25P89.8Confident93Very high45 Ų4552.4 Ų52.429%0.29228%0.284SS..SBendtrans-66.7-12.3178.2-20.532.4000114.8F2 Q452F2-P25 HydrophobicContact CD1-CB 4.1Å; F2-P25 HydrophobicContact CD2-CB 4.13Å; F2-P25 HydrophobicContact CD2-CG 4.23Å; F2-P25 HydrophobicContact CE1-CB 4.09Å; F2-P25 HydrophobicContact CE1-CG 4.21Å; F2-P25 HydrophobicContact CE2-CB 4.11Å; F2-P25 HydrophobicContact CE2-CG 3.76Å; F2-P25 HydrophobicContact CG-CB 4.13Å; F2-P25 HydrophobicContact CZ-CB 4.1Å; F2-P25 HydrophobicContact CZ-CG 3.75Å; P25-Q452 VanDerWaalsContact O-CA 3.22Å; P25-Q452 WeakPolarHBondContact O-CA 3.47Å; P25-Q452 VanDerWaalsContact O-CB 3.29Å; P25-Q452 WeakPolarHBondContact O-CB 3.25Å; P25-Q452 PolarHBondContact O-N 3.48Å
26H88.9Confident93.1Very high66 Ų6651.9 Ų51.931%0.30628%0.278SS..SBendtrans-114.5-77.1-171.9-54.787.1000112.9D24 P449 Q452 F453D24-H26 PolarHBondContact O-N 2.75Å; D24-H26 WeakPolarHBondContact OD1-CA 3.32Å; D24-H26 WeakPolarHBondContact OD1-CB 3.45Å; D24-H26 IonicContact OD1-CG 3.14Å; D24-H26 PolarHBondContact OD1-N 2.72Å; D24-H26 IonicContact OD1-ND1 2.94Å; D24-H26 PolarHBondContact OD1-ND1 3.22Å; H26-P449 PolarHBondContact CD2-O 2.85Å; H26-P449 PolarHBondContact NE2-O 3.28Å; H26-Q452 CarbonylContact O-C 3.59Å; H26-Q452 WeakPolarHBondContact O-CA 3.26Å; H26-F453 PolarHBondContact O-N 3.24Å
27F91.9Very high93.1Very high3 Ų345.7 Ų45.71%0.01325%0.252CS..EExtended strand (participates in β ladder)trans-131.6115.1-173.8-172.3-170000112I444 R445 F453 V455 M462 N465 A466 N467 V468F27-I444 HydrophobicContact CD1-CG2 4.34Å; F27-I444 HydrophobicContact CG-CG2 4.45Å; F27-R445 HydrophobicContact CD1-CG 4.13Å; F27-F453 HydrophobicContact CD2-CB 3.9Å; F27-V455 HydrophobicContact CD2-CG2 4.19Å; F27-V455 HydrophobicContact CE2-CB 3.92Å; F27-V455 HydrophobicContact CE2-CG2 3.53Å; F27-V455 HydrophobicContact CZ-CG2 4.4Å; F27-M462 HydrophobicContact CZ-SD 4.2Å; F27-N465 HydrophobicContact CD1-CB 4.5Å; F27-N465 VanDerWaalsContact CD1-O 3.27Å; F27-N465 WeakPolarHBondContact CD1-O 3.46Å; F27-N465 HydrophobicContact CE1-CB 3.79Å; F27-A466 HydrophobicContact CD1-CB 4.29Å; F27-A466 HydrophobicContact CD2-CB 4.05Å; F27-A466 HydrophobicContact CE1-CB 4.38Å; F27-A466 HydrophobicContact CE2-CB 4.1Å; F27-A466 HydrophobicContact CG-CB 4.12Å; F27-A466 HydrophobicContact CZ-CB 4.27Å; F27-N467 WeakPolarHBondContact CB-OD1 3.34Å; F27-N467 PolarHBondContact N-OD1 3.41Å; F27-N467 WeakPolarHBondContact O-CB 3.37Å; F27-N467 PolarHBondContact O-N 2.93Å; F27-N467 PolarHBondContact O-OD1 3.23Å; F27-V468 PolarHBondContact O-N 3.1Å
28N94.9Very high93Very high0 Ų038.5 Ų38.50%023%0.225CC..EExtended strand (participates in β ladder)trans-115.8132.2177-53.9-88.7000109.6I23 D24 F453 L454 V455 V468 Y470I23-N28 HydrophobicContact CG2-CB 4.49Å; I23-N28 WeakPolarHBondContact CG2-OD1 2.95Å; D24-N28 WeakPolarHBondContact CB-OD1 3.49Å; D24-N28 PolarHBondContact N-OD1 2.57Å; D24-N28 PolarHBondContact O-ND2 3.23Å; N28-F453 WeakPolarHBondContact CA-O 3.32Å; N28-F453 WeakPolarHBondContact CB-O 3.18Å; N28-F453 PolarHBondContact N-O 2.97Å; N28-F453 PolarHBondContact ND2-O 3.15Å; N28-L454 HydrophobicContact CB-CD1 3.8Å; N28-V455 PolarHBondContact O-N 3.43Å; N28-V468 WeakPolarHBondContact CA-O 3.36Å; N28-Y470 HydrophobicContact CB-CE2 4.31Å
29A95.3Very high92.9Very high0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-112.5141.317200000111.3V455 F463 A466 V468 L469 Y470A29-V455 CarbonylContact C-O 3.53Å; A29-V455 VanDerWaalsContact CA-O 3.29Å; A29-V455 WeakPolarHBondContact CA-O 3.34Å; A29-F463 HydrophobicContact CB-CB 3.5Å; A29-F463 VanDerWaalsContact CB-CB 3.5Å; A29-A466 HydrophobicContact CB-CB 3.45Å; A29-A466 VanDerWaalsContact CB-CB 3.45Å; A29-V468 PolarHBondContact N-O 2.93Å; A29-L469 HydrophobicContact CB-CD1 3.86Å; A29-L469 WeakPolarHBondContact O-CA 3.49Å; A29-Y470 PolarHBondContact O-N 2.7Å
30I96.3Very high92.8Very high2 Ų237.9 Ų37.91%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-114.1123172.4-60167.3000107.4K38 I41 L42 L454 V455 V456 S457 Y470 T472I30-K38 HydrophobicContact CG2-CB 3.89Å; I30-K38 HydrophobicContact CG2-CG 4.13Å; I30-I41 HydrophobicContact CD1-CB 4.06Å; I30-I41 HydrophobicContact CD1-CD1 4.05Å; I30-I41 HydrophobicContact CD1-CG2 3.85Å; I30-I41 HydrophobicContact CG1-CD1 4.44Å; I30-I41 HydrophobicContact CG2-CD1 3.84Å; I30-L42 HydrophobicContact CD1-CD2 3.92Å; I30-L454 HydrophobicContact CD1-CD1 3.69Å; I30-L454 HydrophobicContact CD1-CD2 4.2Å; I30-L454 HydrophobicContact CD1-CG 3.83Å; I30-L454 HydrophobicContact CG1-CD1 4.05Å; I30-V455 PolarHBondContact N-O 3.48Å; I30-V456 HydrophobicContact CB-CG2 3.83Å; I30-V456 HydrophobicContact CD1-CG2 4.06Å; I30-V456 HydrophobicContact CG2-CG2 4.08Å; I30-V456 WeakPolarHBondContact O-CA 3.28Å; I30-S457 PolarHBondContact O-N 3.5Å; I30-Y470 CarbonylContact C-O 3.56Å; I30-Y470 VanDerWaalsContact CA-O 3.32Å; I30-Y470 WeakPolarHBondContact CA-O 3.31Å; I30-T472 HydrophobicContact CG2-CG2 4Å
31T94.6Very high92.8Very high15 Ų1537.6 Ų37.69%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-137.2170.9179-1600000111.8S457 L469 Y470 R471 T472T31-S457 VanDerWaalsContact CB-O 3.25Å; T31-S457 WeakPolarHBondContact CB-O 3.27Å; T31-S457 PolarHBondContact OG1-O 3.11Å; T31-L469 HydrophobicContact CG2-CD1 3.63Å; T31-L469 HydrophobicContact CG2-CD2 4.26Å; T31-L469 HydrophobicContact CG2-CG 4.16Å; T31-Y470 PolarHBondContact N-O 3.41Å; T31-R471 HydrophobicContact CG2-CG 3.77Å; T31-R471 CarbonylContact O-C 3.53Å; T31-R471 VanDerWaalsContact O-CA 3.27Å; T31-R471 WeakPolarHBondContact O-CA 3.32Å; T31-T472 PolarHBondContact O-N 3.23Å; T31-T472 PolarHBondContact O-OG1 3.29Å
32G92.5Very high92.9Very high17 Ų1732.8 Ų32.818%0.17520%0.197CC..EExtended strand (participates in β ladder)trans143.1164.5-173.600000112.3K38 L458G32-K38 WeakPolarHBondContact O-CD 3.23Å; G32-K38 WeakPolarHBondContact O-CE 3.35Å; G32-K38 PolarHBondContact O-NZ 2.83Å; G32-L458 WeakPolarHBondContact O-CD2 3.41Å
33L90.7Very high93.1Very high144 Ų14427.5 Ų27.575%0.75417%0.169SC*.SBendtrans-58.4159.3-177.6-62.5176.3000112.5G35 S36 K38L33-G35 PolarHBondContact O-N 2.77Å; L33-S36 VanDerWaalsContact O-CB 3.23Å; L33-S36 WeakPolarHBondContact O-CB 3.33Å; L33-S36 PolarHBondContact O-N 2.99Å; L33-S36 VanDerWaalsContact O-N 3.14Å; L33-S36 PolarHBondContact O-OG 3.44Å; L33-K38 PolarHBondContact O-NZ 2.93Å
34N89.2Confident93.1Very high124 Ų12427 Ų2766%0.66317%0.167SC*.THydrogen-bonded Turntrans-60.1140.1174.2-70.9-13.2000110.7S36 L458N34-S36 PolarHBondContact O-N 3.08Å; N34-L458 VanDerWaalsContact OD1-CD1 3.26Å; N34-L458 WeakPolarHBondContact OD1-CD1 3.44Å
35G88.3Confident93.3Very high67 Ų6726.1 Ų26.169%0.69116%0.162SC*.THydrogen-bonded Turntrans74.9-1.1-174.900000115.7L33 G37L33-G35 PolarHBondContact O-N 2.77Å; G35-G37 PolarHBondContact O-N 2.89Å
36S92.9Very high93.5Very high3 Ų324 Ų242%0.02115%0.148CC..SBendtrans-73-5.9-179.2620000115.5L33 N34 T472 S479L33-S36 VanDerWaalsContact O-CB 3.23Å; L33-S36 WeakPolarHBondContact O-CB 3.33Å; L33-S36 PolarHBondContact O-N 2.99Å; L33-S36 VanDerWaalsContact O-N 3.14Å; L33-S36 PolarHBondContact O-OG 3.44Å; N34-S36 PolarHBondContact O-N 3.08Å; S36-T472 PolarHBondContact OG-OG1 3.46Å; S36-S479 WeakPolarHBondContact O-CB 3.06Å; S36-S479 PolarHBondContact O-OG 2.52Å
37G92.5Very high93.8Very high6 Ų621.3 Ų21.36%0.06214%0.136CC..SBendtrans1004.7178.700000115.8Y14 G35 S39 N40 I41 S479Y14-G37 PolarHBondContact OH-O 3.43Å; G35-G37 PolarHBondContact O-N 2.89Å; G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 3.49Å; G37-N40 WeakPolarHBondContact O-CB 3.48Å; G37-N40 PolarHBondContact O-N 3.19Å; G37-I41 PolarHBondContact O-N 3.2Å; G37-S479 WeakPolarHBondContact CA-OG 3.28Å
38K93.7Very high93.9Very high7 Ų721.2 Ų21.23%0.0314%0.135CC..Hα-helixtrans-41-58.9176.8-63-173.8-61.7-72.40112.9I30 G32 L33 N40 I41 V456 L458 T472I30-K38 HydrophobicContact CG2-CB 3.89Å; I30-K38 HydrophobicContact CG2-CG 4.13Å; G32-K38 WeakPolarHBondContact O-CD 3.23Å; G32-K38 WeakPolarHBondContact O-CE 3.35Å; G32-K38 PolarHBondContact O-NZ 2.83Å; L33-K38 PolarHBondContact O-NZ 2.93Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 2.98Å; K38-I41 VanDerWaalsContact O-CB 3.29Å; K38-I41 WeakPolarHBondContact O-CB 3.27Å; K38-I41 PolarHBondContact O-N 2.9Å; K38-V456 HydrophobicContact CB-CG1 3.84Å; K38-V456 HydrophobicContact CB-CG2 4.33Å; K38-V456 HydrophobicContact CD-CG1 4Å; K38-L458 HydrophobicContact CD-CD2 4.12Å; K38-T472 HydrophobicContact CG-CG2 4.33Å; K38-T472 WeakPolarHBondContact CG-OG1 3.48Å
39S93.3Very high93.8Very high15 Ų1521.5 Ų21.511%0.10514%0.136CC..Hα-helixtrans-79.8-18.6-172.4-41.90000112.2G37 I41 L42 D43 R58 D426G37-S39 VanDerWaalsContact C-N 3.33Å; G37-S39 PolarHBondContact O-N 3.49Å; S39-I41 PolarHBondContact O-N 2.8Å; S39-L42 PolarHBondContact O-N 2.71Å; S39-D43 PolarHBondContact O-N 2.86Å; S39-R58 VanDerWaalsContact C-NH2 3.25Å; S39-R58 PolarHBondContact O-NH2 3.16Å; S39-D426 WeakPolarHBondContact CB-OD1 3.32Å; S39-D426 WeakPolarHBondContact CB-OD2 3.46Å; S39-D426 PolarHBondContact OG-OD1 3.02Å
40N95.1Very high93.6Very high34 Ų3422.7 Ų22.718%0.18215%0.149CC..Hα-helixtrans-63.5-25.4168.9-68.1-18.9000111.9F11 K12 S13 Y14 G37 K38 G44F11-N40 WeakPolarHBondContact CE1-O 3.37Å; K12-N40 HydrophobicContact CB-CB 4.24Å; K12-N40 HydrophobicContact CD-CB 4.2Å; K12-N40 VanDerWaalsContact CD-OD1 3.22Å; K12-N40 WeakPolarHBondContact CD-OD1 3.43Å; S13-N40 WeakPolarHBondContact CB-ND2 3.49Å; S13-N40 PolarHBondContact OG-ND2 2.87Å; Y14-N40 HydrophobicContact CD2-CB 4.29Å; Y14-N40 HydrophobicContact CE2-CB 3.95Å; G37-N40 WeakPolarHBondContact O-CB 3.48Å; G37-N40 PolarHBondContact O-N 3.19Å; K38-N40 VanDerWaalsContact C-N 3.31Å; K38-N40 PolarHBondContact O-N 2.98Å; N40-G44 PolarHBondContact O-N 2.82Å
41I96.9Very high93.2Very high0 Ų023.2 Ų23.20%015%0.151CC..Hα-helixtrans-62.5-49.6169.8-59.1170.8000109.7I6 M8 Y14 I20 I30 G37 K38 S39 D43 G44 V45 T472 V481I6-I41 HydrophobicContact CD1-CG2 4.06Å; M8-I41 HydrophobicContact CE-CG1 4.04Å; Y14-I41 HydrophobicContact CE2-CG1 3.81Å; Y14-I41 WeakPolarHBondContact OH-CD1 3.26Å; Y14-I41 WeakPolarHBondContact OH-CG1 3.47Å; I20-I41 HydrophobicContact CD1-CB 4.36Å; I20-I41 HydrophobicContact CD1-CD1 3.72Å; I20-I41 HydrophobicContact CD1-CG1 3.87Å; I20-I41 HydrophobicContact CD1-CG2 3.55Å; I30-I41 HydrophobicContact CD1-CB 4.06Å; I30-I41 HydrophobicContact CD1-CD1 4.05Å; I30-I41 HydrophobicContact CD1-CG2 3.85Å; I30-I41 HydrophobicContact CG1-CD1 4.44Å; I30-I41 HydrophobicContact CG2-CD1 3.84Å; G37-I41 PolarHBondContact O-N 3.2Å; K38-I41 VanDerWaalsContact O-CB 3.29Å; K38-I41 WeakPolarHBondContact O-CB 3.27Å; K38-I41 PolarHBondContact O-N 2.9Å; S39-I41 PolarHBondContact O-N 2.8Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.03Å; I41-G44 PolarHBondContact O-N 3.34Å; I41-G44 VanDerWaalsContact O-N 3.13Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 3.28Å; I41-T472 HydrophobicContact CD1-CG2 3.65Å; I41-V481 HydrophobicContact CD1-CG2 4.09Å
42L95.1Very high92.3Very high0 Ų027.7 Ų27.70%018%0.184CC..Hα-helixtrans-64.6-38.4179.1-58.2-169000111.8I30 S39 G44 V45 C46 I424 D426 L454 V456I30-L42 HydrophobicContact CD1-CD2 3.92Å; S39-L42 PolarHBondContact O-N 2.71Å; L42-G44 VanDerWaalsContact C-N 3.27Å; L42-G44 PolarHBondContact O-N 2.83Å; L42-V45 PolarHBondContact O-N 2.79Å; L42-C46 PolarHBondContact O-N 2.95Å; L42-C46 PolarHBondContact O-SG 3.34Å; L42-I424 HydrophobicContact CB-CG2 4.07Å; L42-I424 HydrophobicContact CD1-CG2 3.73Å; L42-I424 HydrophobicContact CD2-CG2 3.73Å; L42-I424 HydrophobicContact CG-CG2 4.04Å; L42-D426 HydrophobicContact CD1-CB 3.63Å; L42-L454 HydrophobicContact CD2-CB 4.41Å; L42-L454 HydrophobicContact CD2-CD2 3.38Å; L42-L454 HydrophobicContact CD2-CG 3.63Å; L42-V456 HydrophobicContact CD1-CB 4.03Å; L42-V456 HydrophobicContact CD1-CG2 3.4Å; L42-V456 HydrophobicContact CD2-CG2 4.22Å; L42-V456 HydrophobicContact CG-CG2 3.62Å
43D95Very high91.7Very high0 Ų030 Ų300%019%0.192CC..Hα-helixtrans-59.7-40.8172.9-69.2-19.9000111.2F11 K12 S39 I41 C46 F47 V57 R58F11-D43 HydrophobicContact CE1-CB 4.05Å; F11-D43 HydrophobicContact CZ-CB 4.14Å; K12-D43 HydrophobicContact CD-CB 4.34Å; K12-D43 IonicContact NZ-OD2 3.63Å; K12-D43 PolarHBondContact NZ-OD2 2.86Å; S39-D43 PolarHBondContact O-N 2.86Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.03Å; D43-C46 PolarHBondContact O-N 2.72Å; D43-F47 VanDerWaalsContact O-CB 3.22Å; D43-F47 WeakPolarHBondContact O-CB 3.41Å; D43-F47 PolarHBondContact O-N 3.08Å; D43-V57 HydrophobicContact CB-CB 4.21Å; D43-V57 WeakPolarHBondContact OD1-CA 3.15Å; D43-R58 IonicContact OD1-CZ 3.99Å; D43-R58 IonicContact OD1-NE 3.26Å; D43-R58 PolarHBondContact OD1-NE 2.73Å; D43-R58 IonicContact OD1-NH2 3.78Å; D43-R58 PolarHBondContact OD1-NH2 3.39Å; D43-R58 IonicContact OD2-CZ 3.39Å; D43-R58 IonicContact OD2-NE 2.77Å; D43-R58 PolarHBondContact OD2-NE 3.02Å; D43-R58 IonicContact OD2-NH2 3.42Å; D43-R58 PolarHBondContact OD2-NH2 3.39Å
44G96.1Very high91.4Very high0 Ų025.5 Ų25.50%017%0.168CC..Hα-helixtrans-61.5-45.9175.500000111.8F11 N40 I41 L42 C46 F47 A48 V74F11-G44 VanDerWaalsContact CE1-CA 3.42Å; F11-G44 VanDerWaalsContact CE1-N 3.33Å; N40-G44 PolarHBondContact O-N 2.82Å; I41-G44 PolarHBondContact O-N 3.34Å; I41-G44 VanDerWaalsContact O-N 3.13Å; L42-G44 VanDerWaalsContact C-N 3.27Å; L42-G44 PolarHBondContact O-N 2.83Å; G44-C46 PolarHBondContact O-N 2.88Å; G44-F47 PolarHBondContact O-N 3.5Å; G44-A48 WeakPolarHBondContact O-CB 3.4Å; G44-A48 PolarHBondContact O-N 2.6Å; G44-V74 WeakPolarHBondContact O-CG1 3.5Å
45V95.7Very high91.1Very high0 Ų029.8 Ų29.80%018%0.175CC..Hα-helixtrans-59.6-48.6175.9178.50000110.8I3 I6 I41 L42 F47 A48 L49 L76 I424 L454I3-V45 HydrophobicContact CD1-CG1 3.85Å; I6-V45 HydrophobicContact CD1-CG2 3.55Å; I6-V45 HydrophobicContact CG1-CG2 4.08Å; I6-V45 HydrophobicContact CG2-CG2 4.42Å; I41-V45 WeakPolarHBondContact O-CG2 3.41Å; I41-V45 PolarHBondContact O-N 3.28Å; L42-V45 PolarHBondContact O-N 2.79Å; V45-F47 PolarHBondContact O-N 3.14Å; V45-A48 PolarHBondContact O-N 2.82Å; V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.45Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3.37Å; V45-L76 HydrophobicContact CB-CD2 4.39Å; V45-L76 HydrophobicContact CG1-CD1 3.96Å; V45-L76 HydrophobicContact CG1-CD2 4.33Å; V45-L76 HydrophobicContact CG2-CD2 4Å; V45-I424 HydrophobicContact CB-CD1 4.24Å; V45-I424 HydrophobicContact CG1-CD1 3.46Å; V45-I424 VanDerWaalsContact CG1-CD1 3.46Å; V45-L454 HydrophobicContact CG2-CD2 4.16Å
46C93.9Very high90.7Very high0 Ų029.2 Ų29.20%015%0.154CC..Hα-helixtrans-64.2-40180-64.60000112.4L42 D43 G44 L49 G50 I51 V57 M141L42-C46 PolarHBondContact O-N 2.95Å; L42-C46 PolarHBondContact O-SG 3.34Å; D43-C46 PolarHBondContact O-N 2.72Å; G44-C46 PolarHBondContact O-N 2.88Å; C46-L49 PolarHBondContact O-N 2.89Å; C46-G50 PolarHBondContact O-N 2.98Å; C46-I51 HydrophobicContact CB-CB 4.31Å; C46-I51 HydrophobicContact CB-CG1 3.89Å; C46-I51 WeakPolarHBondContact O-CG1 3.42Å; C46-I51 PolarHBondContact O-N 3.18Å; C46-I51 VanDerWaalsContact O-N 3.11Å; C46-V57 HydrophobicContact CB-CG1 3.57Å; C46-M141 HydrophobicContact CB-CE 4.34Å; C46-M141 WeakPolarHBondContact SG-CE 3.15Å
47F95Very high90.3Very high11 Ų1129.1 Ų29.15%0.04815%0.154CC..Hα-helixtrans-61-48.1174.6171.5-111.4000111.5F11 D43 G44 V45 L49 G50 L65 V74 R100 V102 L108F11-F47 HydrophobicContact CD2-CD1 4.26Å; F11-F47 HydrophobicContact CE2-CB 4.07Å; F11-F47 AromaticContact CE2-CD1 3.75Å; F11-F47 HydrophobicContact CE2-CD1 3.75Å; F11-F47 HydrophobicContact CE2-CE1 4.36Å; F11-F47 AromaticContact CE2-CG 3.93Å; F11-F47 HydrophobicContact CE2-CG 3.93Å; F11-F47 HydrophobicContact CZ-CB 4.15Å; F11-F47 HydrophobicContact CZ-CG 4.5Å; D43-F47 VanDerWaalsContact O-CB 3.22Å; D43-F47 WeakPolarHBondContact O-CB 3.41Å; D43-F47 PolarHBondContact O-N 3.08Å; G44-F47 PolarHBondContact O-N 3.5Å; V45-F47 PolarHBondContact O-N 3.14Å; F47-L49 PolarHBondContact O-N 3Å; F47-G50 PolarHBondContact O-N 3.06Å; F47-G50 VanDerWaalsContact O-N 3.13Å; F47-L65 HydrophobicContact CD2-CD1 3.61Å; F47-L65 HydrophobicContact CE2-CD1 3.73Å; F47-L65 HydrophobicContact CG-CD1 4.32Å; F47-V74 HydrophobicContact CD1-CB 4.02Å; F47-V74 HydrophobicContact CD1-CG2 3.8Å; F47-V74 HydrophobicContact CE1-CB 4.49Å; F47-V74 HydrophobicContact CE1-CG2 4.27Å; F47-R100 HydrophobicContact CD1-CB 4.42Å; F47-R100 HydrophobicContact CE1-CB 3.98Å; F47-R100 HydrophobicContact CE1-CG 4.03Å; F47-R100 VanDerWaalsContact CE1-O 3.29Å; F47-R100 WeakPolarHBondContact CE1-O 3.36Å; F47-R100 HydrophobicContact CE2-CG 4.03Å; F47-R100 HydrophobicContact CZ-CB 4.16Å; F47-R100 HydrophobicContact CZ-CG 3.67Å; F47-R100 WeakPolarHBondContact O-CD 3.49Å; F47-V102 HydrophobicContact CE1-CG1 4.49Å; F47-V102 HydrophobicContact CE2-CB 4.3Å; F47-V102 HydrophobicContact CZ-CB 3.82Å; F47-V102 HydrophobicContact CZ-CG1 3.89Å; F47-L108 HydrophobicContact CE2-CD2 3.89Å; F47-L108 HydrophobicContact CZ-CD2 4.15Å
48A95.4Very high90.2Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-63.1-42.2178.100000112.4G44 V45 G50 V74 L76 I98 R100G44-A48 WeakPolarHBondContact O-CB 3.4Å; G44-A48 PolarHBondContact O-N 2.6Å; V45-A48 PolarHBondContact O-N 2.82Å; A48-G50 PolarHBondContact O-N 3.02Å; A48-V74 HydrophobicContact CB-CB 4.22Å; A48-V74 HydrophobicContact CB-CG1 3.99Å; A48-L76 HydrophobicContact CB-CD1 3.69Å; A48-L76 HydrophobicContact CB-CD2 4.44Å; A48-L76 HydrophobicContact CB-CG 3.61Å; A48-I98 WeakPolarHBondContact O-CG2 3.21Å; A48-R100 PolarHBondContact O-NH1 3.02Å
49L93.1Very high90Very high6 Ų633.6 Ų33.63%0.03117%0.17CC..Hα-helixtrans-60.8-29.3174.2-71.1174.1000112.7V45 C46 F47 L76 F78 L126 V133 F138 I424V45-L49 HydrophobicContact CG1-CD1 3.96Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.45Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3.37Å; C46-L49 PolarHBondContact O-N 2.89Å; F47-L49 PolarHBondContact O-N 3Å; L49-L76 HydrophobicContact CD2-CD1 4.02Å; L49-L76 HydrophobicContact CG-CD1 3.9Å; L49-F78 HydrophobicContact CD2-CZ 3.86Å; L49-L126 HydrophobicContact CD2-CD1 3.86Å; L49-L126 HydrophobicContact CD2-CD2 3.85Å; L49-L126 WeakPolarHBondContact O-CD1 3.47Å; L49-V133 HydrophobicContact CB-CG1 4.22Å; L49-F138 HydrophobicContact CD1-CE2 3.82Å; L49-F138 HydrophobicContact CD1-CZ 4.07Å; L49-I424 HydrophobicContact CD1-CD1 4.29Å
50G91.3Very high89.8Confident25 Ų2539.5 Ų39.526%0.25821%0.205SC..THydrogen-bonded Turntrans94.333179.200000115C46 F47 A48 S52C46-G50 PolarHBondContact O-N 2.98Å; F47-G50 PolarHBondContact O-N 3.06Å; F47-G50 VanDerWaalsContact O-N 3.13Å; A48-G50 PolarHBondContact O-N 3.02Å; G50-S52 PolarHBondContact O-N 3.22Å; G50-S52 VanDerWaalsContact O-N 3.16Å
51I86.1Confident89.5Confident13 Ų1340 Ų407%0.06721%0.212CC..  trans-59.7117.7169.7-58.8-48.5000108.8C46 E56 V133 P136 I139C46-I51 HydrophobicContact CB-CB 4.31Å; C46-I51 HydrophobicContact CB-CG1 3.89Å; C46-I51 WeakPolarHBondContact O-CG1 3.42Å; C46-I51 PolarHBondContact O-N 3.18Å; C46-I51 VanDerWaalsContact O-N 3.11Å; I51-E56 HydrophobicContact CG2-CB 4.01Å; I51-E56 HydrophobicContact CG2-CG 4.5Å; I51-E56 WeakPolarHBondContact CG2-OE2 3.12Å; I51-V133 HydrophobicContact CD1-CB 4.18Å; I51-V133 HydrophobicContact CD1-CG1 4.43Å; I51-P136 HydrophobicContact CD1-CB 3.86Å; I51-P136 HydrophobicContact CD1-CG 3.96Å; I51-I139 HydrophobicContact CD1-CD1 3.71Å; I51-I139 HydrophobicContact CG1-CD1 3.76Å
52S76.1Confident89.2Confident110 Ų11041.7 Ų41.777%0.76922%0.22SC*.SBendtrans-74.9-26.3-169.955.30000113.6G50 L54G50-S52 PolarHBondContact O-N 3.22Å; G50-S52 VanDerWaalsContact O-N 3.16Å; S52-L54 PolarHBondContact O-N 3.49Å
53N81.4Confident88.9Confident65 Ų6547.1 Ų47.135%0.34824%0.244SC..  trans-84.1101.7-178.2-176.34.8000110.9R55 E56N53-R55 PolarHBondContact O-N 3.36Å; N53-R55 WeakPolarHBondContact OD1-CB 3.4Å; N53-R55 PolarHBondContact OD1-N 3.22Å; N53-E56 HydrophobicContact CB-CG 4.17Å; N53-E56 PolarHBondContact ND2-OE1 3.14Å; N53-E56 WeakPolarHBondContact O-CB 3.27Å; N53-E56 PolarHBondContact O-N 2.78Å
54L83.1Confident88.8Confident50 Ų5050.7 Ų50.726%0.26226%0.263SS..THydrogen-bonded Turntrans-57.5-23.4-179.7-67.5177.3000114.1S52 E56 V57 R58 A59 L62S52-L54 PolarHBondContact O-N 3.49Å; L54-E56 PolarHBondContact O-N 3.01Å; L54-V57 HydrophobicContact CD2-CG2 4.12Å; L54-V57 CarbonylContact O-C 3.59Å; L54-V57 VanDerWaalsContact O-CG2 3.23Å; L54-V57 WeakPolarHBondContact O-CG2 3.37Å; L54-V57 PolarHBondContact O-N 2.85Å; L54-R58 PolarHBondContact O-N 3.22Å; L54-A59 CarbonylContact C-O 3.56Å; L54-A59 WeakPolarHBondContact CB-O 3.36Å; L54-A59 PolarHBondContact O-N 2.79Å; L54-L62 HydrophobicContact CD1-CD2 4.39Å; L54-L62 HydrophobicContact CD1-CG 4.27Å; L54-L62 HydrophobicContact CD2-CD2 3.67Å; L54-L62 HydrophobicContact CD2-CG 4.43Å
55R82.6Confident88.7Confident213 Ų21350.7 Ų50.780%0.80426%0.263SS*.THydrogen-bonded Turntrans-65.3-29175.3-61.4-177.9179.9177.30.5112.4N53 V57 R58N53-R55 PolarHBondContact O-N 3.36Å; N53-R55 WeakPolarHBondContact OD1-CB 3.4Å; N53-R55 PolarHBondContact OD1-N 3.22Å; R55-V57 VanDerWaalsContact C-N 3.31Å; R55-R58 PolarHBondContact O-N 3.22Å
56E80.1Confident88.6Confident55 Ų5551.5 Ų51.526%0.25727%0.267SS..THydrogen-bonded Turntrans-71.7-28.9177.1-69.7176.4-15500112.1I51 N53 L54 R58I51-E56 HydrophobicContact CG2-CB 4.01Å; I51-E56 HydrophobicContact CG2-CG 4.5Å; I51-E56 WeakPolarHBondContact CG2-OE2 3.12Å; N53-E56 HydrophobicContact CB-CG 4.17Å; N53-E56 PolarHBondContact ND2-OE1 3.14Å; N53-E56 WeakPolarHBondContact O-CB 3.27Å; N53-E56 PolarHBondContact O-N 2.78Å; L54-E56 PolarHBondContact O-N 3.01Å; E56-R58 VanDerWaalsContact C-N 3.33Å
57V85.7Confident88.6Confident2 Ų254.2 Ų54.21%0.01228%0.28CS..THydrogen-bonded Turntrans-95.920.1171.1-62.60000112.4K12 D43 C46 L54 R55 A59 L65K12-V57 WeakPolarHBondContact CE-O 3.26Å; K12-V57 PolarHBondContact NZ-O 3.39Å; D43-V57 HydrophobicContact CB-CB 4.21Å; D43-V57 WeakPolarHBondContact OD1-CA 3.15Å; C46-V57 HydrophobicContact CB-CG1 3.57Å; L54-V57 HydrophobicContact CD2-CG2 4.12Å; L54-V57 CarbonylContact O-C 3.59Å; L54-V57 VanDerWaalsContact O-CG2 3.23Å; L54-V57 WeakPolarHBondContact O-CG2 3.37Å; L54-V57 PolarHBondContact O-N 2.85Å; R55-V57 VanDerWaalsContact C-N 3.31Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 HydrophobicContact CG2-CB 4.29Å; V57-A59 PolarHBondContact O-N 2.73Å; V57-A59 VanDerWaalsContact O-N 3.17Å; V57-L65 HydrophobicContact CG2-CD2 4.2Å
58R88.5Confident88.4Confident99 Ų9959.3 Ų59.337%0.37431%0.306SS..THydrogen-bonded Turntrans46.248.2178-61173.4-76.8-123.7-25.2113.7K12 S39 D43 L54 R55 E56 D426K12-R58 PolarHBondContact NZ-O 3.41Å; S39-R58 VanDerWaalsContact C-NH2 3.25Å; S39-R58 PolarHBondContact O-NH2 3.16Å; D43-R58 IonicContact OD1-CZ 3.99Å; D43-R58 IonicContact OD1-NE 3.26Å; D43-R58 PolarHBondContact OD1-NE 2.73Å; D43-R58 IonicContact OD1-NH2 3.78Å; D43-R58 PolarHBondContact OD1-NH2 3.39Å; D43-R58 IonicContact OD2-CZ 3.39Å; D43-R58 IonicContact OD2-NE 2.77Å; D43-R58 PolarHBondContact OD2-NE 3.02Å; D43-R58 IonicContact OD2-NH2 3.42Å; D43-R58 PolarHBondContact OD2-NH2 3.39Å; L54-R58 PolarHBondContact O-N 3.22Å; R55-R58 PolarHBondContact O-N 3.22Å; E56-R58 VanDerWaalsContact C-N 3.33Å; R58-D426 IonicContact CZ-OD2 2.78Å; R58-D426 IonicContact NH1-OD2 3.53Å; R58-D426 PolarHBondContact NH1-OD2 2.96Å; R58-D426 IonicContact NH2-OD2 2.62Å; R58-D426 PolarHBondContact NH2-OD2 3.03Å
59A89.8Confident88Confident7 Ų761.9 Ų61.96%0.05833%0.333CS..  trans-128.3140.8175.700000109.6L54 V57 D64 L65L54-A59 CarbonylContact C-O 3.56Å; L54-A59 WeakPolarHBondContact CB-O 3.36Å; L54-A59 PolarHBondContact O-N 2.79Å; V57-A59 VanDerWaalsContact C-N 3.28Å; V57-A59 HydrophobicContact CG2-CB 4.29Å; V57-A59 PolarHBondContact O-N 2.73Å; V57-A59 VanDerWaalsContact O-N 3.17Å; A59-D64 HydrophobicContact CB-CB 4.16Å; A59-L65 HydrophobicContact CB-CD2 3.69Å; A59-L65 HydrophobicContact CB-CG 4.17Å
60V89.3Confident87.8Confident139 Ų13964.7 Ų64.784%0.84236%0.357SS*.SBendtrans-87.6-39.3171.7-179.20000109.1D64V60-D64 WeakPolarHBondContact CA-OD2 2.94Å; V60-D64 WeakPolarHBondContact CB-OD2 3.49Å; V60-D64 PolarHBondContact N-OD2 2.97Å
61S89.8Confident88Confident45 Ų4565.7 Ų65.732%0.31536%0.358SS..SBendtrans-128.8159.3177.785.50000111.5K63 D64S61-K63 PolarHBondContact O-N 3.34Å; S61-K63 WeakPolarHBondContact OG-CB 3.48Å; S61-K63 PolarHBondContact OG-N 3.4Å; S61-D64 PolarHBondContact N-OD2 3.48Å; S61-D64 WeakPolarHBondContact O-CB 3.4Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 VanDerWaalsContact O-N 3.14Å; S61-D64 PolarHBondContact OG-OD1 2.92Å
62L89.4Confident88.5Confident35 Ų3565.2 Ų65.218%0.18336%0.356CS..G310 helixtrans-62.4-25.5174.6-77.9176.2000113.1L54 D64 L65 V102 G106 L108L54-L62 HydrophobicContact CD1-CD2 4.39Å; L54-L62 HydrophobicContact CD1-CG 4.27Å; L54-L62 HydrophobicContact CD2-CD2 3.67Å; L54-L62 HydrophobicContact CD2-CG 4.43Å; L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.42Å; L62-L65 HydrophobicContact CD2-CD1 3.91Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 2.97Å; L62-V102 HydrophobicContact CB-CG2 3.85Å; L62-V102 HydrophobicContact CD2-CG2 4.35Å; L62-G106 VanDerWaalsContact CD1-O 3.25Å; L62-G106 WeakPolarHBondContact CD1-O 3.38Å; L62-L108 HydrophobicContact CD1-CD1 3.99Å; L62-L108 HydrophobicContact CD1-CD2 4.16Å; L62-L108 HydrophobicContact CD1-CG 3.91Å; L62-L108 HydrophobicContact CD2-CD1 4.29Å; L62-L108 HydrophobicContact CD2-CD2 4.04Å; L62-L108 HydrophobicContact CD2-CG 4.5Å
63K90Very high89.5Confident115 Ų11561.5 Ų61.550%0.533%0.327SS..G310 helixtrans-64.6-32.8176-179.8178.3-178.6116.40111.7S61 L65 I66 D104S61-K63 PolarHBondContact O-N 3.34Å; S61-K63 WeakPolarHBondContact OG-CB 3.48Å; S61-K63 PolarHBondContact OG-N 3.4Å; K63-L65 PolarHBondContact O-N 3.44Å; K63-L65 VanDerWaalsContact O-N 3.09Å; K63-I66 WeakPolarHBondContact O-CB 3.49Å; K63-I66 PolarHBondContact O-N 3.16Å; K63-D104 VanDerWaalsContact CD-OD1 3.23Å; K63-D104 WeakPolarHBondContact CD-OD1 3.5Å; K63-D104 VanDerWaalsContact CE-OD1 3.26Å; K63-D104 WeakPolarHBondContact CE-OD1 3.45Å; K63-D104 VanDerWaalsContact CG-OD1 3.28Å; K63-D104 WeakPolarHBondContact CG-OD1 3.37Å; K63-D104 IonicContact NZ-OD1 3.75Å; K63-D104 PolarHBondContact NZ-OD1 3.2Å; K63-D104 IonicContact NZ-OD2 3.51Å; K63-D104 PolarHBondContact NZ-OD2 2.89Å
64D91.6Very high90.3Very high74 Ų7458.4 Ų58.440%0.39631%0.311SS..G310 helixtrans-65.5-14.9-179.8-47.9-13.3000112.6A59 V60 S61 L62 I66A59-D64 HydrophobicContact CB-CB 4.16Å; V60-D64 WeakPolarHBondContact CA-OD2 2.94Å; V60-D64 WeakPolarHBondContact CB-OD2 3.49Å; V60-D64 PolarHBondContact N-OD2 2.97Å; S61-D64 PolarHBondContact N-OD2 3.48Å; S61-D64 WeakPolarHBondContact O-CB 3.4Å; S61-D64 PolarHBondContact O-N 3.43Å; S61-D64 VanDerWaalsContact O-N 3.14Å; S61-D64 PolarHBondContact OG-OD1 2.92Å; L62-D64 VanDerWaalsContact C-N 3.27Å; L62-D64 PolarHBondContact O-N 3.42Å; D64-I66 VanDerWaalsContact C-N 3.33Å
65L93.9Very high91.1Very high0 Ų056.8 Ų56.80%030%0.304CS..G310 helixtrans-80.8-15.7175.3-58.3-180000112.5F11 K12 F47 V57 A59 L62 K63 V102F11-L65 CarbonylContact C-O 3.32Å; F11-L65 WeakPolarHBondContact CA-O 3.29Å; F11-L65 HydrophobicContact CD2-CB 4.29Å; F11-L65 WeakPolarHBondContact CD2-O 3.25Å; F11-L65 HydrophobicContact CE2-CB 3.89Å; F11-L65 HydrophobicContact CE2-CD1 4.42Å; F11-L65 HydrophobicContact CE2-CD2 4Å; F11-L65 HydrophobicContact CE2-CG 4.33Å; F11-L65 HydrophobicContact CZ-CD2 4.06Å; K12-L65 PolarHBondContact N-O 2.85Å; F47-L65 HydrophobicContact CD2-CD1 3.61Å; F47-L65 HydrophobicContact CE2-CD1 3.73Å; F47-L65 HydrophobicContact CG-CD1 4.32Å; V57-L65 HydrophobicContact CG2-CD2 4.2Å; A59-L65 HydrophobicContact CB-CD2 3.69Å; A59-L65 HydrophobicContact CB-CG 4.17Å; L62-L65 HydrophobicContact CD2-CD1 3.91Å; L62-L65 WeakPolarHBondContact O-CB 3.38Å; L62-L65 PolarHBondContact O-N 2.97Å; K63-L65 PolarHBondContact O-N 3.44Å; K63-L65 VanDerWaalsContact O-N 3.09Å; L65-V102 HydrophobicContact CB-CG1 4.25Å
66I94.8Very high91.8Very high17 Ų1746.7 Ų46.79%0.08727%0.266CS..BIsolated β-bridgetrans-93.9126.4-179.2-54.5173.7000108.6K63 D64 A72 V102 D104K63-I66 WeakPolarHBondContact O-CB 3.49Å; K63-I66 PolarHBondContact O-N 3.16Å; D64-I66 VanDerWaalsContact C-N 3.33Å; I66-A72 HydrophobicContact CB-CB 4.36Å; I66-A72 HydrophobicContact CG1-CB 3.97Å; I66-A72 HydrophobicContact CG2-CB 4.47Å; I66-V102 HydrophobicContact CD1-CG1 4.33Å; I66-V102 HydrophobicContact CD1-CG2 4.43Å; I66-V102 HydrophobicContact CG1-CG1 3.81Å; I66-D104 HydrophobicContact CD1-CB 4.27Å
67H93.1Very high92.6Very high57 Ų5745.1 Ų45.126%0.26426%0.26SS..SBendtrans-67.8-61.9177.6-179.769.6000111.3N10 K12 G15N10-H67 WeakPolarHBondContact O-CB 3.41Å; N10-H67 PolarHBondContact O-N 3.12Å; N10-H67 WeakPolarHBondContact OD1-CB 3.44Å; K12-H67 WeakPolarHBondContact O-CA 3.29Å; K12-H67 WeakPolarHBondContact O-CB 3.29Å; K12-H67 VanDerWaalsContact O-CG 3.24Å; K12-H67 PolarHBondContact O-ND1 2.98Å; G15-H67 WeakPolarHBondContact CA-CD2 3.34Å
68I90.4Very high93Very high118 Ų11845 Ų4561%0.60526%0.259SS*.SBendtrans-144.2145.3179.7-65.8172000110.3N10N10-I68 PolarHBondContact ND2-O 3.18Å; N10-I68 PolarHBondContact OD1-N 3.37Å; N10-I68 PolarHBondContact OD1-O 2.93Å
69G88.3Confident93.3Very high55 Ų5540.6 Ų40.657%0.56724%0.243SC*.SBendtrans81.6-146.2172.700000113
70A88.6Confident93.4Very high64 Ų6440.3 Ų40.353%0.52924%0.241SC..SBendtrans-98.6-26.2-159.500000115.5F103 D104A70-F103 CarbonylContact O-C 3.6Å; A70-F103 WeakPolarHBondContact O-CA 3.31Å; A70-D104 PolarHBondContact O-N 3.47Å
71T95.1Very high93.4Very high47 Ų4736.8 Ų36.829%0.28822%0.222SC..EExtended strand (participates in β ladder)trans-147148.2-171.764.20000113.3N10 V102 F103N10-T71 PolarHBondContact ND2-O 3.33Å; T71-V102 CarbonylContact C-O 3.51Å; T71-V102 WeakPolarHBondContact CA-O 3.46Å; T71-V102 WeakPolarHBondContact CB-O 3.49Å; T71-F103 HydrophobicContact CG2-CB 4.39Å; T71-F103 HydrophobicContact CG2-CD1 3.21Å; T71-F103 HydrophobicContact CG2-CE1 3.43Å; T71-F103 VanDerWaalsContact CG2-CE1 3.43Å; T71-F103 HydrophobicContact CG2-CG 3.85Å; T71-F103 HydrophobicContact CG2-CZ 4.22Å
72A97Very high93.2Very high2 Ų238.6 Ų38.62%0.01723%0.228CC..EExtended strand (participates in β ladder)trans-128.7146.9168.200000109.8E9 N10 F11 I66 Q101 V102E9-A72 WeakPolarHBondContact O-CA 3.4Å; N10-A72 WeakPolarHBondContact O-CB 3.34Å; F11-A72 HydrophobicContact CB-CB 4.41Å; F11-A72 HydrophobicContact CD2-CB 4.49Å; I66-A72 HydrophobicContact CB-CB 4.36Å; I66-A72 HydrophobicContact CG1-CB 3.97Å; I66-A72 HydrophobicContact CG2-CB 4.47Å; A72-Q101 CarbonylContact O-C 3.54Å; A72-Q101 VanDerWaalsContact O-CA 3.27Å; A72-Q101 WeakPolarHBondContact O-CA 3.36Å; A72-Q101 WeakPolarHBondContact O-CG 3.49Å; A72-V102 HydrophobicContact CB-CG1 3.82Å; A72-V102 PolarHBondContact N-O 3.21Å; A72-V102 PolarHBondContact O-N 3.48Å
73I97.3Very high92.9Very high32 Ų3240.5 Ų40.516%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-134.4138.5178.8-175.3167.6000110.5E9 R100 Q101 M111E9-I73 HydrophobicContact CB-CG2 3.68Å; E9-I73 HydrophobicContact CG-CG2 3.9Å; E9-I73 PolarHBondContact N-O 3.19Å; E9-I73 PolarHBondContact O-N 2.77Å; I73-R100 WeakPolarHBondContact CA-O 3.33Å; I73-Q101 HydrophobicContact CB-CB 4.27Å; I73-Q101 HydrophobicContact CB-CG 4.22Å; I73-Q101 HydrophobicContact CD1-CB 4.37Å; I73-Q101 HydrophobicContact CG1-CB 4.24Å; I73-M111 HydrophobicContact CD1-CE 3.65Å
74V98.4Very high92.5Very high0 Ų039.6 Ų39.60%025%0.249CC..EExtended strand (participates in β ladder)trans-126.5132.4169.6-173.30000108.8I6 V7 M8 F11 G44 F47 A48 S99 R100I6-V74 HydrophobicContact CG2-CG1 4.47Å; V7-V74 CarbonylContact O-C 3.49Å; V7-V74 VanDerWaalsContact O-CA 3.29Å; V7-V74 WeakPolarHBondContact O-CA 3.43Å; M8-V74 HydrophobicContact CG-CG1 3.84Å; M8-V74 HydrophobicContact CG-CG2 4.07Å; F11-V74 HydrophobicContact CB-CG2 3.94Å; F11-V74 HydrophobicContact CD1-CG2 4.16Å; F11-V74 HydrophobicContact CD2-CG2 3.51Å; F11-V74 HydrophobicContact CE2-CG2 3.99Å; F11-V74 HydrophobicContact CG-CG2 3.6Å; G44-V74 WeakPolarHBondContact O-CG1 3.5Å; F47-V74 HydrophobicContact CD1-CB 4.02Å; F47-V74 HydrophobicContact CD1-CG2 3.8Å; F47-V74 HydrophobicContact CE1-CB 4.49Å; F47-V74 HydrophobicContact CE1-CG2 4.27Å; A48-V74 HydrophobicContact CB-CB 4.22Å; A48-V74 HydrophobicContact CB-CG1 3.99Å; V74-S99 CarbonylContact O-C 3.44Å; V74-S99 WeakPolarHBondContact O-CA 3.39Å; V74-R100 PolarHBondContact N-O 2.83Å; V74-R100 PolarHBondContact O-N 2.98Å
75S98.4Very high91.9Very high17 Ų1739.3 Ų39.312%0.11925%0.25CC..EExtended strand (participates in β ladder)trans-123.8134.6176.7-50.70000110.6V7 I98 S99V7-S75 PolarHBondContact N-O 2.73Å; V7-S75 PolarHBondContact O-N 3.15Å; S75-I98 CarbonylContact C-O 3.58Å; S75-I98 VanDerWaalsContact CA-O 3.31Å; S75-I98 WeakPolarHBondContact CA-O 3.28Å; S75-S99 VanDerWaalsContact CB-OG 3.24Å; S75-S99 WeakPolarHBondContact CB-OG 3.19Å; S75-S99 VanDerWaalsContact OG-CB 3.3Å; S75-S99 WeakPolarHBondContact OG-CB 3.23Å; S75-S99 PolarHBondContact OG-OG 3.41Å
76L97.9Very high91.6Very high0 Ų040 Ų400%026%0.255CS..EExtended strand (participates in β ladder)trans-111.2124.7172.5-59.7178.6000108.4I3 I6 V45 A48 L49 F78 T97 I98I3-L76 HydrophobicContact CG2-CD2 4.41Å; I6-L76 HydrophobicContact CB-CD2 4.23Å; I6-L76 HydrophobicContact CG1-CD2 3.74Å; I6-L76 HydrophobicContact CG2-CD2 3.99Å; V45-L76 HydrophobicContact CB-CD2 4.39Å; V45-L76 HydrophobicContact CG1-CD1 3.96Å; V45-L76 HydrophobicContact CG1-CD2 4.33Å; V45-L76 HydrophobicContact CG2-CD2 4Å; A48-L76 HydrophobicContact CB-CD1 3.69Å; A48-L76 HydrophobicContact CB-CD2 4.44Å; A48-L76 HydrophobicContact CB-CG 3.61Å; L49-L76 HydrophobicContact CD2-CD1 4.02Å; L49-L76 HydrophobicContact CG-CD1 3.9Å; L76-F78 HydrophobicContact CB-CD2 4.2Å; L76-F78 HydrophobicContact CB-CE2 3.53Å; L76-F78 HydrophobicContact CB-CZ 4.04Å; L76-F78 HydrophobicContact CD1-CE2 4.08Å; L76-F78 HydrophobicContact CD1-CZ 3.88Å; L76-F78 HydrophobicContact CG-CE2 4.48Å; L76-T97 CarbonylContact O-C 3.6Å; L76-T97 VanDerWaalsContact O-CA 3.32Å; L76-T97 WeakPolarHBondContact O-CA 3.4Å; L76-I98 PolarHBondContact N-O 3.23Å; L76-I98 PolarHBondContact O-N 3.1Å
77V97.2Very high91.2Very high22 Ų2239.2 Ų39.213%0.13325%0.251CS..EExtended strand (participates in β ladder)trans-99.7115.7172.1-1730000107.7R4 E5 T95 T97R4-V77 PolarHBondContact N-O 3.45Å; E5-V77 HydrophobicContact CB-CB 3.96Å; E5-V77 HydrophobicContact CB-CG2 4.02Å; E5-V77 PolarHBondContact N-O 3.28Å; E5-V77 PolarHBondContact O-N 2.95Å; V77-T95 HydrophobicContact CG1-CG2 4.16Å; V77-T97 HydrophobicContact CG2-CG2 4.25Å
78F95.1Very high90.9Very high1 Ų141.2 Ų41.20%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-95.5140.3176.8-67.4-90000111M1 F2 I3 L49 L76 T95 I96 I98 L126 L131M1-F78 HydrophobicContact CG-CB 3.71Å; M1-F78 HydrophobicContact CG-CD1 3.77Å; M1-F78 HydrophobicContact CG-CG 4.06Å; M1-F78 HydrophobicContact SD-CB 3.97Å; M1-F78 HydrophobicContact SD-CD1 3.92Å; M1-F78 HydrophobicContact SD-CG 3.99Å; F2-F78 CarbonylContact O-C 3.58Å; F2-F78 VanDerWaalsContact O-CA 3.29Å; F2-F78 WeakPolarHBondContact O-CA 3.26Å; I3-F78 HydrophobicContact CD1-CE1 4.33Å; I3-F78 HydrophobicContact CG1-CD1 3.97Å; I3-F78 HydrophobicContact CG1-CE1 3.48Å; I3-F78 VanDerWaalsContact CG1-CE1 3.48Å; I3-F78 HydrophobicContact CG1-CZ 4.05Å; L49-F78 HydrophobicContact CD2-CZ 3.86Å; L76-F78 HydrophobicContact CB-CD2 4.2Å; L76-F78 HydrophobicContact CB-CE2 3.53Å; L76-F78 HydrophobicContact CB-CZ 4.04Å; L76-F78 HydrophobicContact CD1-CE2 4.08Å; L76-F78 HydrophobicContact CD1-CZ 3.88Å; L76-F78 HydrophobicContact CG-CE2 4.48Å; F78-T95 CarbonylContact O-C 3.42Å; F78-T95 WeakPolarHBondContact O-CA 3.29Å; F78-T95 WeakPolarHBondContact O-CB 3.42Å; F78-I96 WeakPolarHBondContact CB-O 3.48Å; F78-I96 PolarHBondContact N-O 3.12Å; F78-I96 PolarHBondContact O-N 2.92Å; F78-I98 HydrophobicContact CD2-CD1 4.24Å; F78-I98 HydrophobicContact CE2-CB 4.32Å; F78-I98 HydrophobicContact CE2-CD1 3.81Å; F78-I98 HydrophobicContact CE2-CG1 4.3Å; F78-L126 HydrophobicContact CZ-CD2 4.31Å; F78-L131 HydrophobicContact CE1-CD1 4.06Å
79D93Very high90.8Very high6 Ų638.4 Ų38.43%0.03227%0.269CS..EExtended strand (participates in β ladder)trans-64.7126163.6-173.8-71000110.5M1 F2 R4 S81M1-D79 WeakPolarHBondContact CA-O 3.43Å; M1-D79 WeakPolarHBondContact CG-O 3.33Å; F2-D79 HydrophobicContact CD1-CB 3.91Å; F2-D79 HydrophobicContact CD2-CB 3.96Å; F2-D79 HydrophobicContact CE1-CB 3.62Å; F2-D79 VanDerWaalsContact CE1-CG 3.5Å; F2-D79 HydrophobicContact CE2-CB 3.68Å; F2-D79 HydrophobicContact CG-CB 4.06Å; F2-D79 HydrophobicContact CZ-CB 3.49Å; F2-D79 VanDerWaalsContact CZ-CB 3.49Å; F2-D79 VanDerWaalsContact CZ-CG 3.43Å; F2-D79 WeakPolarHBondContact CZ-OD2 3.41Å; F2-D79 PolarHBondContact O-N 2.62Å; R4-D79 HydrophobicContact CG-CB 3.91Å; R4-D79 IonicContact CZ-OD2 2.76Å; R4-D79 IonicContact NE-OD2 2.7Å; R4-D79 PolarHBondContact NE-OD2 3.06Å; R4-D79 IonicContact NH2-OD2 3.53Å; R4-D79 PolarHBondContact NH2-OD2 3.27Å; D79-S81 WeakPolarHBondContact OD1-CB 3.45Å; D79-S81 PolarHBondContact OD1-N 3.42Å; D79-S81 PolarHBondContact OD1-OG 2.77Å; D79-S81 PolarHBondContact OD2-OG 2.81Å
80N92.3Very high90.9Very high1 Ų136.7 Ų36.71%0.00525%0.245CC..  trans-129.538.2172.5-162.252.7000111.3K83 S86 Y90 F93 D94 I96N80-K83 PolarHBondContact O-NZ 3Å; N80-S86 PolarHBondContact ND2-OG 3.35Å; N80-S86 WeakPolarHBondContact OD1-CA 3.44Å; N80-S86 WeakPolarHBondContact OD1-CB 3.41Å; N80-S86 PolarHBondContact OD1-OG 3.04Å; N80-Y90 PolarHBondContact ND2-O 3.09Å; N80-F93 WeakPolarHBondContact CB-O 3.26Å; N80-F93 PolarHBondContact ND2-O 3.08Å; N80-D94 CarbonylContact C-O 3.43Å; N80-D94 VanDerWaalsContact C-O 3.32Å; N80-D94 WeakPolarHBondContact CA-O 3.39Å; N80-D94 PolarHBondContact N-O 3.31Å; N80-I96 HydrophobicContact CB-CD1 4.12Å; N80-I96 HydrophobicContact CB-CG1 3.94Å
81S89.1Confident90.9Very high64 Ų6437.6 Ų37.645%0.44824%0.238SC..  trans-74.7-34.2-179.961.30000112.4D79 K83D79-S81 WeakPolarHBondContact OD1-CB 3.45Å; D79-S81 PolarHBondContact OD1-N 3.42Å; D79-S81 PolarHBondContact OD1-OG 2.77Å; D79-S81 PolarHBondContact OD2-OG 2.81Å; S81-K83 PolarHBondContact O-N 2.83Å
82D85.7Confident90.7Very high83 Ų8344 Ų4444%0.44427%0.265SS..  trans-83.296.9175-176.2-0.5000111.7A84 T85 S86D82-A84 PolarHBondContact O-N 3.11Å; D82-A84 WeakPolarHBondContact OD1-CB 3.4Å; D82-A84 PolarHBondContact OD1-N 3.46Å; D82-A84 VanDerWaalsContact OD1-N 3.11Å; D82-T85 PolarHBondContact O-N 2.88Å; D82-T85 VanDerWaalsContact O-N 3.09Å; D82-T85 PolarHBondContact O-OG1 3.03Å; D82-T85 VanDerWaalsContact O-OG1 3.08Å; D82-S86 PolarHBondContact O-N 2.93Å
83K84.1Confident90.4Very high75 Ų7548.2 Ų48.233%0.32628%0.283SS..G310 helixtrans-66.3-21.6-175.7-50.1-47.1-173.1174.50113.7N80 S81 T85 S86 E91 F93 D94N80-K83 PolarHBondContact O-NZ 3Å; S81-K83 PolarHBondContact O-N 2.83Å; K83-T85 PolarHBondContact O-N 3.24Å; K83-S86 WeakPolarHBondContact O-CB 3.12Å; K83-S86 PolarHBondContact O-N 3.19Å; K83-E91 WeakPolarHBondContact CD-O 3.41Å; K83-E91 WeakPolarHBondContact CE-O 3.47Å; K83-E91 PolarHBondContact NZ-O 2.74Å; K83-F93 VanDerWaalsContact NZ-C 3.29Å; K83-F93 PolarHBondContact NZ-O 2.8Å; K83-D94 IonicContact NZ-OD1 2.82Å; K83-D94 PolarHBondContact NZ-OD1 3.12Å
84A80.2Confident90.2Very high97 Ų9751.8 Ų51.880%0.80230%0.303SS*.G310 helixtrans-70-23.4175.800000112.3D82D82-A84 PolarHBondContact O-N 3.11Å; D82-A84 WeakPolarHBondContact OD1-CB 3.4Å; D82-A84 PolarHBondContact OD1-N 3.46Å; D82-A84 VanDerWaalsContact OD1-N 3.11Å
85T79.9Confident90.1Very high67 Ų6754.2 Ų54.241%0.41132%0.318SS..G310 helixtrans-106.85.4177.569.10000113.1D82 K83D82-T85 PolarHBondContact O-N 2.88Å; D82-T85 VanDerWaalsContact O-N 3.09Å; D82-T85 PolarHBondContact O-OG1 3.03Å; D82-T85 VanDerWaalsContact O-OG1 3.08Å; K83-T85 PolarHBondContact O-N 3.24Å
86S86.8Confident89.9Confident15 Ų1553.4 Ų53.411%0.10531%0.312CS..PPolyproline II helixtrans-67.5140-179.2177.60000110.6N80 D82 K83 Y90 E91N80-S86 PolarHBondContact ND2-OG 3.35Å; N80-S86 WeakPolarHBondContact OD1-CA 3.44Å; N80-S86 WeakPolarHBondContact OD1-CB 3.41Å; N80-S86 PolarHBondContact OD1-OG 3.04Å; D82-S86 PolarHBondContact O-N 2.93Å; K83-S86 WeakPolarHBondContact O-CB 3.12Å; K83-S86 PolarHBondContact O-N 3.19Å; S86-Y90 VanDerWaalsContact OG-C 3.3Å; S86-Y90 PolarHBondContact OG-O 3.25Å; S86-E91 WeakPolarHBondContact OG-CA 3.46Å; S86-E91 PolarHBondContact OG-N 3.25Å
87P87.2Confident89.9Confident1 Ų155.1 Ų55.11%0.00632%0.322CS..PPolyproline II helixtrans-53.3143.6165.8-28.437.4000111.6M1 G89 Y90 I96 V125 S128 A129M1-P87 VanDerWaalsContact CE-CD 3.48Å; M1-P87 HydrophobicContact CE-CG 3.54Å; P87-G89 PolarHBondContact O-N 3.2Å; P87-Y90 HydrophobicContact CB-CD2 4.07Å; P87-Y90 PolarHBondContact O-N 2.84Å; P87-Y90 VanDerWaalsContact O-N 3.12Å; P87-I96 HydrophobicContact CG-CD1 3.84Å; P87-V125 HydrophobicContact CB-CG1 3.93Å; P87-V125 HydrophobicContact CG-CG1 3.83Å; P87-S128 WeakPolarHBondContact CA-OG 3.43Å; P87-S128 VanDerWaalsContact CB-OG 3.27Å; P87-S128 WeakPolarHBondContact CB-OG 3.31Å; P87-A129 HydrophobicContact CG-CB 4.43Å
88P87.1Confident89.9Confident99 Ų9954.1 Ų54.164%0.64332%0.316SS*.THydrogen-bonded Turntrans-55.9127.4176.5-2634.4000112.4E91P88-E91 WeakPolarHBondContact CA-OE1 3.26Å
89G88.3Confident90Very high58 Ų5854.5 Ų54.560%0.59832%0.319SS*.THydrogen-bonded Turntrans84.78.6179.900000114.8P87 E91P87-G89 PolarHBondContact O-N 3.2Å; G89-E91 VanDerWaalsContact C-OE2 3.32Å; G89-E91 WeakPolarHBondContact CA-OE2 3.34Å; G89-E91 PolarHBondContact N-OE1 3.48Å; G89-E91 PolarHBondContact N-OE2 2.9Å
90Y90.2Very high90.2Very high19 Ų1955 Ų558%0.07532%0.321CS..  trans-121.98.7176.9-67.5-91000113.5N80 S86 P87 E92 F93 I96 L112 R121 V125N80-Y90 PolarHBondContact ND2-O 3.09Å; S86-Y90 VanDerWaalsContact OG-C 3.3Å; S86-Y90 PolarHBondContact OG-O 3.25Å; P87-Y90 HydrophobicContact CB-CD2 4.07Å; P87-Y90 PolarHBondContact O-N 2.84Å; P87-Y90 VanDerWaalsContact O-N 3.12Å; Y90-E92 PolarHBondContact O-N 2.99Å; Y90-F93 HydrophobicContact CD1-CD2 4.06Å; Y90-F93 HydrophobicContact CD1-CE2 4.37Å; Y90-F93 PolarHBondContact O-N 2.74Å; Y90-I96 HydrophobicContact CD1-CD1 4.18Å; Y90-I96 HydrophobicContact CD1-CG1 4.28Å; Y90-I96 HydrophobicContact CG-CD1 3.96Å; Y90-L112 HydrophobicContact CE1-CD2 4.01Å; Y90-L112 HydrophobicContact CE1-CG 4.12Å; Y90-L112 HydrophobicContact CE2-CD2 4.38Å; Y90-L112 WeakPolarHBondContact OH-CD2 3.48Å; Y90-R121 PolarHBondContact OH-NE 3.44Å; Y90-R121 PolarHBondContact OH-NH2 2.94Å; Y90-V125 HydrophobicContact CD2-CG2 4.36Å; Y90-V125 HydrophobicContact CE2-CG2 3.72Å
91E88.3Confident90.4Very high83 Ų8356.9 Ų56.939%0.38833%0.329SS..THydrogen-bonded Turntrans-60.6-28.5-176.2-60.882.6173.400112.4K83 S86 P88 G89 F93K83-E91 WeakPolarHBondContact CD-O 3.41Å; K83-E91 WeakPolarHBondContact CE-O 3.47Å; K83-E91 PolarHBondContact NZ-O 2.74Å; S86-E91 WeakPolarHBondContact OG-CA 3.46Å; S86-E91 PolarHBondContact OG-N 3.25Å; P88-E91 WeakPolarHBondContact CA-OE1 3.26Å; G89-E91 VanDerWaalsContact C-OE2 3.32Å; G89-E91 WeakPolarHBondContact CA-OE2 3.34Å; G89-E91 PolarHBondContact N-OE1 3.48Å; G89-E91 PolarHBondContact N-OE2 2.9Å; E91-F93 VanDerWaalsContact C-N 3.27Å; E91-F93 PolarHBondContact O-N 3.28Å
92E90.8Very high90.7Very high182 Ų18253.9 Ų53.985%0.8531%0.308SS*.THydrogen-bonded Turntrans-73.8-15.8177.9-60.5-175.7160.600113.5Y90Y90-E92 PolarHBondContact O-N 2.99Å
93F92.3Very high91.1Very high91 Ų9152.5 Ų52.540%0.39930%0.298SS..  trans-99.9130.6-177.4-59-87.8000111.2N80 K83 Y90 E91 T95N80-F93 WeakPolarHBondContact CB-O 3.26Å; N80-F93 PolarHBondContact ND2-O 3.08Å; K83-F93 VanDerWaalsContact NZ-C 3.29Å; K83-F93 PolarHBondContact NZ-O 2.8Å; Y90-F93 HydrophobicContact CD1-CD2 4.06Å; Y90-F93 HydrophobicContact CD1-CE2 4.37Å; Y90-F93 PolarHBondContact O-N 2.74Å; E91-F93 VanDerWaalsContact C-N 3.27Å; E91-F93 PolarHBondContact O-N 3.28Å; F93-T95 VanDerWaalsContact C-N 3.29Å; F93-T95 WeakPolarHBondContact CB-O 3.47Å
94D93Very high91.3Very high106 Ų10652.3 Ų52.357%0.56730%0.301SS*.SBendtrans-78.9-15.9174.5-68.7-20.6000113.4N80 K83N80-D94 CarbonylContact C-O 3.43Å; N80-D94 VanDerWaalsContact C-O 3.32Å; N80-D94 WeakPolarHBondContact CA-O 3.39Å; N80-D94 PolarHBondContact N-O 3.31Å; K83-D94 IonicContact NZ-OD1 2.82Å; K83-D94 PolarHBondContact NZ-OD1 3.12Å
95T94.7Very high91.5Very high51 Ų5151.1 Ų51.131%0.31330%0.298SS..EExtended strand (participates in β ladder)trans-138.9149.5174.359.90000110.6V77 F78 F93V77-T95 HydrophobicContact CG1-CG2 4.16Å; F78-T95 CarbonylContact O-C 3.42Å; F78-T95 WeakPolarHBondContact O-CA 3.29Å; F78-T95 WeakPolarHBondContact O-CB 3.42Å; F93-T95 VanDerWaalsContact C-N 3.29Å; F93-T95 WeakPolarHBondContact CB-O 3.47Å
96I95.3Very high91.7Very high1 Ų149.6 Ų49.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-120.9120.8173.3-62.8176.4000107.6M1 F78 N80 P87 Y90 L112 N113M1-I96 HydrophobicContact CE-CD1 3.72Å; F78-I96 WeakPolarHBondContact CB-O 3.48Å; F78-I96 PolarHBondContact N-O 3.12Å; F78-I96 PolarHBondContact O-N 2.92Å; N80-I96 HydrophobicContact CB-CD1 4.12Å; N80-I96 HydrophobicContact CB-CG1 3.94Å; P87-I96 HydrophobicContact CG-CD1 3.84Å; Y90-I96 HydrophobicContact CD1-CD1 4.18Å; Y90-I96 HydrophobicContact CD1-CG1 4.28Å; Y90-I96 HydrophobicContact CG-CD1 3.96Å; I96-L112 HydrophobicContact CG2-CD1 3.59Å; I96-N113 WeakPolarHBondContact CA-OD1 3.39Å
97T97Very high91.9Very high35 Ų3558.3 Ų58.322%0.21533%0.326CS..EExtended strand (participates in β ladder)trans-103.5119.7179.5-57.60000109.9L76 V77 L112 N113L76-T97 CarbonylContact O-C 3.6Å; L76-T97 VanDerWaalsContact O-CA 3.32Å; L76-T97 WeakPolarHBondContact O-CA 3.4Å; V77-T97 HydrophobicContact CG2-CG2 4.25Å; T97-L112 CarbonylContact O-C 3.39Å; T97-L112 WeakPolarHBondContact O-CA 3.4Å; T97-N113 PolarHBondContact N-OD1 2.88Å; T97-N113 PolarHBondContact O-N 3.07Å
98I97.3Very high92.2Very high2 Ų262.2 Ų62.21%0.0135%0.347CS..EExtended strand (participates in β ladder)trans-106.7120.7172.8-67.1170.6000107.9A48 S75 L76 F78 L112 I122 L126A48-I98 WeakPolarHBondContact O-CG2 3.21Å; S75-I98 CarbonylContact C-O 3.58Å; S75-I98 VanDerWaalsContact CA-O 3.31Å; S75-I98 WeakPolarHBondContact CA-O 3.28Å; L76-I98 PolarHBondContact N-O 3.23Å; L76-I98 PolarHBondContact O-N 3.1Å; F78-I98 HydrophobicContact CD2-CD1 4.24Å; F78-I98 HydrophobicContact CE2-CB 4.32Å; F78-I98 HydrophobicContact CE2-CD1 3.81Å; F78-I98 HydrophobicContact CE2-CG1 4.3Å; I98-L112 HydrophobicContact CG1-CD1 3.72Å; I98-I122 HydrophobicContact CD1-CG2 3.99Å; I98-I122 HydrophobicContact CG1-CG2 4.29Å; I98-I122 HydrophobicContact CG2-CG2 3.81Å; I98-L126 HydrophobicContact CD1-CD1 4.13Å; I98-L126 HydrophobicContact CD1-CD2 3.52Å; I98-L126 HydrophobicContact CD1-CG 3.77Å
99S97.9Very high92.5Very high9 Ų962.3 Ų62.36%0.06334%0.337CS..EExtended strand (participates in β ladder)trans-121.5138.5178.2-53.70000110.7V74 S75 S110 M111V74-S99 CarbonylContact O-C 3.44Å; V74-S99 WeakPolarHBondContact O-CA 3.39Å; S75-S99 VanDerWaalsContact CB-OG 3.24Å; S75-S99 WeakPolarHBondContact CB-OG 3.19Å; S75-S99 VanDerWaalsContact OG-CB 3.3Å; S75-S99 WeakPolarHBondContact OG-CB 3.23Å; S75-S99 PolarHBondContact OG-OG 3.41Å; S99-S110 CarbonylContact O-C 3.56Å; S99-S110 WeakPolarHBondContact O-CA 3.5Å; S99-M111 PolarHBondContact N-O 3.49Å; S99-M111 PolarHBondContact O-N 3.43Å
100R96.5Very high92.9Very high17 Ų1760 Ų606%0.06431%0.312CS..EExtended strand (participates in β ladder)trans-129.2132.8172.2-169.1158.1-96.2138.5-10.2110.1F47 A48 I73 V74 K109 S110F47-R100 HydrophobicContact CD1-CB 4.42Å; F47-R100 HydrophobicContact CE1-CB 3.98Å; F47-R100 HydrophobicContact CE1-CG 4.03Å; F47-R100 VanDerWaalsContact CE1-O 3.29Å; F47-R100 WeakPolarHBondContact CE1-O 3.36Å; F47-R100 HydrophobicContact CE2-CG 4.03Å; F47-R100 HydrophobicContact CZ-CB 4.16Å; F47-R100 HydrophobicContact CZ-CG 3.67Å; F47-R100 WeakPolarHBondContact O-CD 3.49Å; A48-R100 PolarHBondContact O-NH1 3.02Å; I73-R100 WeakPolarHBondContact CA-O 3.33Å; V74-R100 PolarHBondContact N-O 2.83Å; V74-R100 PolarHBondContact O-N 2.98Å; R100-K109 WeakPolarHBondContact CA-O 3.48Å; R100-S110 VanDerWaalsContact CZ-OG 3.25Å; R100-S110 PolarHBondContact NE-OG 3.33Å; R100-S110 PolarHBondContact NH2-OG 3.05Å
101Q96.3Very high93.3Very high40 Ų4060.9 Ų60.919%0.18732%0.317CS..EExtended strand (participates in β ladder)trans-121.9133.2-177.6-173.6177.936.200109.8A72 I73 F103 L108 K109A72-Q101 CarbonylContact O-C 3.54Å; A72-Q101 VanDerWaalsContact O-CA 3.27Å; A72-Q101 WeakPolarHBondContact O-CA 3.36Å; A72-Q101 WeakPolarHBondContact O-CG 3.49Å; I73-Q101 HydrophobicContact CB-CB 4.27Å; I73-Q101 HydrophobicContact CB-CG 4.22Å; I73-Q101 HydrophobicContact CD1-CB 4.37Å; I73-Q101 HydrophobicContact CG1-CB 4.24Å; Q101-F103 HydrophobicContact CB-CE2 4.35Å; Q101-F103 HydrophobicContact CG-CD2 4.41Å; Q101-F103 HydrophobicContact CG-CE2 3.77Å; Q101-F103 HydrophobicContact CG-CZ 4.09Å; Q101-F103 VanDerWaalsContact OE1-CZ 3.26Å; Q101-L108 CarbonylContact O-C 3.58Å; Q101-L108 WeakPolarHBondContact O-CA 3.08Å; Q101-K109 HydrophobicContact CB-CB 4.4Å; Q101-K109 PolarHBondContact N-O 2.94Å; Q101-K109 PolarHBondContact O-N 3.29Å
102V95.4Very high93.6Very high0 Ų057.2 Ų57.20%030%0.3CS..EExtended strand (participates in β ladder)trans-112.8142174.658.30000109.8F47 L62 L65 I66 T71 A72 L108F47-V102 HydrophobicContact CE1-CG1 4.49Å; F47-V102 HydrophobicContact CE2-CB 4.3Å; F47-V102 HydrophobicContact CZ-CB 3.82Å; F47-V102 HydrophobicContact CZ-CG1 3.89Å; L62-V102 HydrophobicContact CB-CG2 3.85Å; L62-V102 HydrophobicContact CD2-CG2 4.35Å; L65-V102 HydrophobicContact CB-CG1 4.25Å; I66-V102 HydrophobicContact CD1-CG1 4.33Å; I66-V102 HydrophobicContact CD1-CG2 4.43Å; I66-V102 HydrophobicContact CG1-CG1 3.81Å; T71-V102 CarbonylContact C-O 3.51Å; T71-V102 WeakPolarHBondContact CA-O 3.46Å; T71-V102 WeakPolarHBondContact CB-O 3.49Å; A72-V102 HydrophobicContact CB-CG1 3.82Å; A72-V102 PolarHBondContact N-O 3.21Å; A72-V102 PolarHBondContact O-N 3.48Å; V102-L108 HydrophobicContact CB-CD2 3.71Å; V102-L108 HydrophobicContact CG2-CD2 3.89Å
103F95.2Very high93.8Very high54 Ų5450.9 Ų50.924%0.23727%0.272CS..EExtended strand (participates in β ladder)trans-113.8150.6177-63.8-105.3000109.5A70 T71 Q101 G105 G106 R107 K109A70-F103 CarbonylContact O-C 3.6Å; A70-F103 WeakPolarHBondContact O-CA 3.31Å; T71-F103 HydrophobicContact CG2-CB 4.39Å; T71-F103 HydrophobicContact CG2-CD1 3.21Å; T71-F103 HydrophobicContact CG2-CE1 3.43Å; T71-F103 VanDerWaalsContact CG2-CE1 3.43Å; T71-F103 HydrophobicContact CG2-CG 3.85Å; T71-F103 HydrophobicContact CG2-CZ 4.22Å; Q101-F103 HydrophobicContact CB-CE2 4.35Å; Q101-F103 HydrophobicContact CG-CD2 4.41Å; Q101-F103 HydrophobicContact CG-CE2 3.77Å; Q101-F103 HydrophobicContact CG-CZ 4.09Å; Q101-F103 VanDerWaalsContact OE1-CZ 3.26Å; F103-G105 PolarHBondContact O-N 2.94Å; F103-G106 PolarHBondContact O-N 2.9Å; F103-R107 HydrophobicContact CB-CB 4.29Å; F103-R107 HydrophobicContact CD2-CB 4.35Å; F103-R107 WeakPolarHBondContact CD2-O 3.46Å; F103-R107 PolarHBondContact N-O 3.33Å; F103-K109 HydrophobicContact CE2-CB 4.26Å; F103-K109 HydrophobicContact CE2-CD 3.7Å; F103-K109 HydrophobicContact CE2-CG 3.79Å; F103-K109 HydrophobicContact CZ-CD 3.86Å; F103-K109 HydrophobicContact CZ-CG 4.46Å
104D86.6Confident93.9Very high72 Ų7249.3 Ų49.339%0.38528%0.281SS..THydrogen-bonded Turntrans-55.3-26.4-178-169.524.6000113.1K63 I66 A70 G106K63-D104 VanDerWaalsContact CD-OD1 3.23Å; K63-D104 WeakPolarHBondContact CD-OD1 3.5Å; K63-D104 VanDerWaalsContact CE-OD1 3.26Å; K63-D104 WeakPolarHBondContact CE-OD1 3.45Å; K63-D104 VanDerWaalsContact CG-OD1 3.28Å; K63-D104 WeakPolarHBondContact CG-OD1 3.37Å; K63-D104 IonicContact NZ-OD1 3.75Å; K63-D104 PolarHBondContact NZ-OD1 3.2Å; K63-D104 IonicContact NZ-OD2 3.51Å; K63-D104 PolarHBondContact NZ-OD2 2.89Å; I66-D104 HydrophobicContact CD1-CB 4.27Å; A70-D104 PolarHBondContact O-N 3.47Å; D104-G106 PolarHBondContact O-N 2.98Å
105G85.4Confident94Very high71 Ų7149 Ų4973%0.73228%0.283SS*.THydrogen-bonded Turntrans-78.413.5171.600000115.8F103 R107F103-G105 PolarHBondContact O-N 2.94Å; G105-R107 PolarHBondContact O-N 2.85Å
106G84.2Confident94.1Very high36 Ų3652.3 Ų52.337%0.37130%0.298SS..SBendtrans73.33.9-179.300000115.3L62 F103 D104L62-G106 VanDerWaalsContact CD1-O 3.25Å; L62-G106 WeakPolarHBondContact CD1-O 3.38Å; F103-G106 PolarHBondContact O-N 2.9Å; D104-G106 PolarHBondContact O-N 2.98Å
107R90.2Very high94.1Very high197 Ų19752.7 Ų52.774%0.74330%0.301SS*.  trans-71.7138.1176.5-62.7-176.3-174.1177.42109.8F103 G105F103-R107 HydrophobicContact CB-CB 4.29Å; F103-R107 HydrophobicContact CD2-CB 4.35Å; F103-R107 WeakPolarHBondContact CD2-O 3.46Å; F103-R107 PolarHBondContact N-O 3.33Å; G105-R107 PolarHBondContact O-N 2.85Å
108L93.2Very high93.9Very high84 Ų8455.4 Ų55.444%0.4432%0.319SS..EExtended strand (participates in β ladder)trans-113.5133.4174.7-67.6174.9000110.2F47 L62 Q101 V102F47-L108 HydrophobicContact CE2-CD2 3.89Å; F47-L108 HydrophobicContact CZ-CD2 4.15Å; L62-L108 HydrophobicContact CD1-CD1 3.99Å; L62-L108 HydrophobicContact CD1-CD2 4.16Å; L62-L108 HydrophobicContact CD1-CG 3.91Å; L62-L108 HydrophobicContact CD2-CD1 4.29Å; L62-L108 HydrophobicContact CD2-CD2 4.04Å; L62-L108 HydrophobicContact CD2-CG 4.5Å; Q101-L108 CarbonylContact O-C 3.58Å; Q101-L108 WeakPolarHBondContact O-CA 3.08Å; V102-L108 HydrophobicContact CB-CD2 3.71Å; V102-L108 HydrophobicContact CG2-CD2 3.89Å
109K95Very high93.5Very high101 Ų10157.9 Ų57.944%0.43934%0.34SS..EExtended strand (participates in β ladder)trans-116.5136.3166.9-69.3-175-177.1179.40108.7R100 Q101 F103 L116R100-K109 WeakPolarHBondContact CA-O 3.48Å; Q101-K109 HydrophobicContact CB-CB 4.4Å; Q101-K109 PolarHBondContact N-O 2.94Å; Q101-K109 PolarHBondContact O-N 3.29Å; F103-K109 HydrophobicContact CE2-CB 4.26Å; F103-K109 HydrophobicContact CE2-CD 3.7Å; F103-K109 HydrophobicContact CE2-CG 3.79Å; F103-K109 HydrophobicContact CZ-CD 3.86Å; F103-K109 HydrophobicContact CZ-CG 4.46Å; K109-L116 HydrophobicContact CB-CD1 4.1Å; K109-L116 HydrophobicContact CD-CD1 4.49Å; K109-L116 HydrophobicContact CG-CD1 4.29Å
110S96.4Very high93.2Very high10 Ų1060.5 Ų60.57%0.0736%0.362CS..EExtended strand (participates in β ladder)trans-122.1139.3176.4-35.10000108.3S99 R100 L116 A117S99-S110 CarbonylContact O-C 3.56Å; S99-S110 WeakPolarHBondContact O-CA 3.5Å; R100-S110 VanDerWaalsContact CZ-OG 3.25Å; R100-S110 PolarHBondContact NE-OG 3.33Å; R100-S110 PolarHBondContact NH2-OG 3.05Å; S110-L116 WeakPolarHBondContact O-CD1 3.37Å; S110-A117 PolarHBondContact O-N 3.5Å; S110-A117 VanDerWaalsContact O-O 3.09Å
111M97.3Very high93Very high36 Ų3665.9 Ų65.918%0.17738%0.383CS..EExtended strand (participates in β ladder)trans-131.2144.8-176.9-62.5168-70.800109.2I73 S99 V115I73-M111 HydrophobicContact CD1-CE 3.65Å; S99-M111 PolarHBondContact N-O 3.49Å; S99-M111 PolarHBondContact O-N 3.43Å; M111-V115 CarbonylContact C-O 3.59Å; M111-V115 WeakPolarHBondContact CA-O 3.36Å
112L96.5Very high92.8Very high7 Ų764 Ų644%0.03737%0.374CS..EExtended strand (participates in β ladder)trans-127.7119.7176.4-177.360000107.4Y90 I96 T97 I98 G114 V115 A117 I122 V125Y90-L112 HydrophobicContact CE1-CD2 4.01Å; Y90-L112 HydrophobicContact CE1-CG 4.12Å; Y90-L112 HydrophobicContact CE2-CD2 4.38Å; Y90-L112 WeakPolarHBondContact OH-CD2 3.48Å; I96-L112 HydrophobicContact CG2-CD1 3.59Å; T97-L112 CarbonylContact O-C 3.39Å; T97-L112 WeakPolarHBondContact O-CA 3.4Å; I98-L112 HydrophobicContact CG1-CD1 3.72Å; L112-G114 PolarHBondContact O-N 3.13Å; L112-V115 PolarHBondContact N-O 3.09Å; L112-V115 PolarHBondContact O-N 3.27Å; L112-V115 VanDerWaalsContact O-N 3.08Å; L112-A117 HydrophobicContact CB-CB 3.96Å; L112-I122 HydrophobicContact CB-CG1 4.41Å; L112-V125 HydrophobicContact CD2-CG2 3.97Å
113N94.7Very high92.6Very high49 Ų4964.8 Ų64.826%0.26238%0.381SS..THydrogen-bonded Turntrans49.842.1-170-66.6-7000112.5I96 T97 V115I96-N113 WeakPolarHBondContact CA-OD1 3.39Å; T97-N113 PolarHBondContact N-OD1 2.88Å; T97-N113 PolarHBondContact O-N 3.07Å; N113-V115 PolarHBondContact O-N 2.9Å
114G92.7Very high92.3Very high57 Ų5767 Ų6759%0.58840%0.395SS*.THydrogen-bonded Turntrans78.7-8.9179.500000115.6L112L112-G114 PolarHBondContact O-N 3.13Å
115V95.8Very high92.5Very high101 Ų10164.2 Ų64.261%0.61238%0.38SS*.EExtended strand (participates in β ladder)trans-95.2136.4179.3-177.10000110.3M111 L112 N113 A117M111-V115 CarbonylContact C-O 3.59Å; M111-V115 WeakPolarHBondContact CA-O 3.36Å; L112-V115 PolarHBondContact N-O 3.09Å; L112-V115 PolarHBondContact O-N 3.27Å; L112-V115 VanDerWaalsContact O-N 3.08Å; N113-V115 PolarHBondContact O-N 2.9Å; V115-A117 PolarHBondContact O-N 3.46Å
116L96.9Very high92.8Very high120 Ų12060.9 Ų60.963%0.62835%0.346SS*.EExtended strand (participates in β ladder)trans-57.2125176.2-173.573.3000110.6K109 S110K109-L116 HydrophobicContact CB-CD1 4.1Å; K109-L116 HydrophobicContact CD-CD1 4.49Å; K109-L116 HydrophobicContact CG-CD1 4.29Å; S110-L116 WeakPolarHBondContact O-CD1 3.37Å
117A94.8Very high93Very high8 Ų863.8 Ų63.87%0.06635%0.35CS..  trans-133.8140.5-177.400000111S110 L112 V115 I122S110-A117 PolarHBondContact O-N 3.5Å; S110-A117 VanDerWaalsContact O-O 3.09Å; L112-A117 HydrophobicContact CB-CB 3.96Å; V115-A117 PolarHBondContact O-N 3.46Å; A117-I122 HydrophobicContact CB-CD1 4.43Å; A117-I122 HydrophobicContact CB-CG1 4.26Å
118P93.7Very high92.7Very high92 Ų9256.6 Ų56.660%0.59733%0.329SS*.  trans-59147.3170.5-22.733.5000111.6A120 R121 I122P118-A120 PolarHBondContact O-N 3.06Å; P118-R121 PolarHBondContact O-N 3.05Å; P118-R121 VanDerWaalsContact O-N 3.08Å; P118-I122 PolarHBondContact O-N 3.22Å
119A89.6Confident92.3Very high54 Ų5452.9 Ų52.945%0.44631%0.311SS..Hα-helixtrans-58-34.5178.900000112.8I122 A123A119-I122 PolarHBondContact O-N 2.79Å; A119-A123 PolarHBondContact O-N 3.21Å
120A90.4Very high91.7Very high64 Ų6455 Ų5553%0.52932%0.322SS..Hα-helixtrans-59.2-45.7175.300000112.2P118 I122 A123 D124P118-A120 PolarHBondContact O-N 3.06Å; A120-I122 VanDerWaalsContact C-N 3.32Å; A120-I122 PolarHBondContact O-N 2.89Å; A120-A123 WeakPolarHBondContact O-CB 3.2Å; A120-A123 PolarHBondContact O-N 3.46Å; A120-A123 VanDerWaalsContact O-N 3.13Å; A120-D124 VanDerWaalsContact O-CG 3.22Å; A120-D124 PolarHBondContact O-N 2.7Å
121R91.9Very high91.2Very high131 Ų13154.6 Ų54.649%0.49432%0.319SS..Hα-helixtrans-61.7-39.7178.1-177.7177.6176.7172.72.1112.1Y90 P118 D124 V125Y90-R121 PolarHBondContact OH-NE 3.44Å; Y90-R121 PolarHBondContact OH-NH2 2.94Å; P118-R121 PolarHBondContact O-N 3.05Å; P118-R121 VanDerWaalsContact O-N 3.08Å; R121-D124 PolarHBondContact O-N 3.39Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 3.18Å; R121-V125 VanDerWaalsContact O-N 3.09Å
122I92.7Very high90.5Very high1 Ų154.9 Ų54.91%0.00532%0.321CS..Hα-helixtrans-66.8-42176.4-64.2172.6000110.3I98 L112 A117 P118 A119 A120 D124 V125 L126I98-I122 HydrophobicContact CD1-CG2 3.99Å; I98-I122 HydrophobicContact CG1-CG2 4.29Å; I98-I122 HydrophobicContact CG2-CG2 3.81Å; L112-I122 HydrophobicContact CB-CG1 4.41Å; A117-I122 HydrophobicContact CB-CD1 4.43Å; A117-I122 HydrophobicContact CB-CG1 4.26Å; P118-I122 PolarHBondContact O-N 3.22Å; A119-I122 PolarHBondContact O-N 2.79Å; A120-I122 VanDerWaalsContact C-N 3.32Å; A120-I122 PolarHBondContact O-N 2.89Å; I122-D124 VanDerWaalsContact C-N 3.31Å; I122-D124 PolarHBondContact O-N 2.81Å; I122-V125 PolarHBondContact O-N 3.14Å; I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.42Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 2.86Å
123A91.3Very high89.9Confident16 Ų1655.1 Ų55.113%0.13232%0.323CS..Hα-helixtrans-61.3-39.5175.500000111.8A119 A120 L126 Q127 V133A119-A123 PolarHBondContact O-N 3.21Å; A120-A123 WeakPolarHBondContact O-CB 3.2Å; A120-A123 PolarHBondContact O-N 3.46Å; A120-A123 VanDerWaalsContact O-N 3.13Å; A123-L126 PolarHBondContact O-N 3.26Å; A123-Q127 WeakPolarHBondContact O-CB 3.14Å; A123-Q127 PolarHBondContact O-N 3.42Å; A123-V133 HydrophobicContact CB-CG2 3.88Å
124D89.8Confident89Confident100 Ų10058.7 Ų58.754%0.53534%0.342SS..Hα-helixtrans-64.1-44.7176.6-64.8-29.2000111.8A120 R121 I122 Q127 S128A120-D124 VanDerWaalsContact O-CG 3.22Å; A120-D124 PolarHBondContact O-N 2.7Å; R121-D124 PolarHBondContact O-N 3.39Å; I122-D124 VanDerWaalsContact C-N 3.31Å; I122-D124 PolarHBondContact O-N 2.81Å; D124-Q127 PolarHBondContact O-N 3.18Å; D124-S128 PolarHBondContact O-N 2.78Å
125V90.8Very high88.2Confident13 Ų1357.9 Ų57.98%0.07932%0.324CS..Hα-helixtrans-61.5-47.9176170.60000110.6P87 Y90 L112 R121 I122 Q127 S128 A129P87-V125 HydrophobicContact CB-CG1 3.93Å; P87-V125 HydrophobicContact CG-CG1 3.83Å; Y90-V125 HydrophobicContact CD2-CG2 4.36Å; Y90-V125 HydrophobicContact CE2-CG2 3.72Å; L112-V125 HydrophobicContact CD2-CG2 3.97Å; R121-V125 WeakPolarHBondContact O-CG2 3.44Å; R121-V125 PolarHBondContact O-N 3.18Å; R121-V125 VanDerWaalsContact O-N 3.09Å; I122-V125 PolarHBondContact O-N 3.14Å; V125-Q127 PolarHBondContact O-N 2.83Å; V125-S128 PolarHBondContact O-N 2.9Å; V125-S128 PolarHBondContact O-OG 3.21Å; V125-A129 PolarHBondContact O-N 3.3Å
126L90.8Very high87.1Confident1 Ų154 Ų541%0.00530%0.301CS..Hα-helixtrans-62.8-41.9176.7-72.8173.8000112.2L49 F78 I98 I122 A123 S128 A129 H130 L131 V133L49-L126 HydrophobicContact CD2-CD1 3.86Å; L49-L126 HydrophobicContact CD2-CD2 3.85Å; L49-L126 WeakPolarHBondContact O-CD1 3.47Å; F78-L126 HydrophobicContact CZ-CD2 4.31Å; I98-L126 HydrophobicContact CD1-CD1 4.13Å; I98-L126 HydrophobicContact CD1-CD2 3.52Å; I98-L126 HydrophobicContact CD1-CG 3.77Å; I122-L126 HydrophobicContact CG2-CD1 3.98Å; I122-L126 HydrophobicContact CG2-CG 4.42Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 WeakPolarHBondContact O-CG 3.46Å; I122-L126 PolarHBondContact O-N 2.86Å; A123-L126 PolarHBondContact O-N 3.26Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.43Å; L126-A129 CarbonylContact O-C 3.41Å; L126-A129 WeakPolarHBondContact O-CA 2.93Å; L126-A129 PolarHBondContact O-N 3.28Å; L126-A129 VanDerWaalsContact O-N 3.08Å; L126-H130 PolarHBondContact O-N 3.18Å; L126-L131 CarbonylContact C-O 3.52Å; L126-L131 VanDerWaalsContact C-O 3.29Å; L126-L131 HydrophobicContact CB-CB 4.12Å; L126-L131 WeakPolarHBondContact CB-O 3.5Å; L126-L131 HydrophobicContact CD2-CB 4.26Å; L126-L131 HydrophobicContact CD2-CD1 3.91Å; L126-L131 WeakPolarHBondContact O-CA 3.22Å; L126-L131 WeakPolarHBondContact O-CB 3.45Å; L126-L131 PolarHBondContact O-N 3.38Å; L126-V133 HydrophobicContact CB-CG1 4.47Å; L126-V133 HydrophobicContact CD1-CG1 3.66Å
127Q87.5Confident86.4Confident98 Ų9849.9 Ų49.946%0.45828%0.279SS..Hα-helixtrans-63.7-38.1178.2-179.6174.7-15.600111.9A123 D124 V125 A129 H130 L131A123-Q127 WeakPolarHBondContact O-CB 3.14Å; A123-Q127 PolarHBondContact O-N 3.42Å; D124-Q127 PolarHBondContact O-N 3.18Å; V125-Q127 PolarHBondContact O-N 2.83Å; Q127-A129 PolarHBondContact O-N 2.78Å; Q127-H130 PolarHBondContact O-N 2.91Å; Q127-L131 PolarHBondContact N-O 3.04Å
128S85.2Confident86.1Confident45 Ų4549.8 Ų49.832%0.31528%0.277SS..Hα-helixtrans-64.1-30.4174.275.30000112.4P87 D124 V125 L126 H130P87-S128 WeakPolarHBondContact CA-OG 3.43Å; P87-S128 VanDerWaalsContact CB-OG 3.27Å; P87-S128 WeakPolarHBondContact CB-OG 3.31Å; D124-S128 PolarHBondContact O-N 2.78Å; V125-S128 PolarHBondContact O-N 2.9Å; V125-S128 PolarHBondContact O-OG 3.21Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.43Å; S128-H130 PolarHBondContact O-N 3.37Å
129A83.8Confident85.9Confident6 Ų646 Ų465%0.0525%0.251CS..THydrogen-bonded Turntrans-8617171.400000113.5M1 P87 V125 L126 Q127 L131 P421M1-A129 HydrophobicContact CE-CB 3.94Å; M1-A129 HydrophobicContact SD-CB 3.63Å; P87-A129 HydrophobicContact CG-CB 4.43Å; V125-A129 PolarHBondContact O-N 3.3Å; L126-A129 CarbonylContact O-C 3.41Å; L126-A129 WeakPolarHBondContact O-CA 2.93Å; L126-A129 PolarHBondContact O-N 3.28Å; L126-A129 VanDerWaalsContact O-N 3.08Å; Q127-A129 PolarHBondContact O-N 2.78Å; A129-L131 PolarHBondContact O-N 3.34Å; A129-P421 WeakPolarHBondContact O-CG 3.42Å
130H82.8Confident86Confident145 Ų14543.6 Ų43.667%0.67123%0.231SC*.THydrogen-bonded Turntrans63.416.5-179.1-50.1-60000115.8L126 Q127 S128L126-H130 PolarHBondContact O-N 3.18Å; Q127-H130 PolarHBondContact O-N 2.91Å; S128-H130 PolarHBondContact O-N 3.37Å
131L86.2Confident85.8Confident2 Ų241.8 Ų41.81%0.0121%0.212CC..  trans-97.584.7171.3-68.3173.1000109.9F78 L126 Q127 A129 V133 F138 P421 V422F78-L131 HydrophobicContact CE1-CD1 4.06Å; L126-L131 CarbonylContact C-O 3.52Å; L126-L131 VanDerWaalsContact C-O 3.29Å; L126-L131 HydrophobicContact CB-CB 4.12Å; L126-L131 WeakPolarHBondContact CB-O 3.5Å; L126-L131 HydrophobicContact CD2-CB 4.26Å; L126-L131 HydrophobicContact CD2-CD1 3.91Å; L126-L131 WeakPolarHBondContact O-CA 3.22Å; L126-L131 WeakPolarHBondContact O-CB 3.45Å; L126-L131 PolarHBondContact O-N 3.38Å; Q127-L131 PolarHBondContact N-O 3.04Å; A129-L131 PolarHBondContact O-N 3.34Å; L131-V133 PolarHBondContact O-N 3.27Å; L131-V133 VanDerWaalsContact O-N 3.16Å; L131-F138 HydrophobicContact CB-CE1 4.48Å; L131-F138 HydrophobicContact CD2-CD1 4.2Å; L131-F138 HydrophobicContact CD2-CD2 4.2Å; L131-F138 HydrophobicContact CD2-CE1 4.16Å; L131-F138 HydrophobicContact CD2-CE2 4.15Å; L131-F138 HydrophobicContact CD2-CG 4.24Å; L131-F138 HydrophobicContact CD2-CZ 4.14Å; L131-P421 HydrophobicContact CD1-CG 4.26Å; L131-P421 HydrophobicContact CD2-CG 3.81Å; L131-P421 HydrophobicContact CG-CG 3.78Å; L131-V422 HydrophobicContact CD2-CB 4.27Å
132N82.6Confident85.5Confident43 Ų4340.8 Ų40.823%0.2321%0.213CC..  trans-79.999178.8-171-20.2000111.3N134 N135 P136N132-N134 VanDerWaalsContact C-N 3.3Å; N132-N134 PolarHBondContact O-N 2.99Å; N132-N134 WeakPolarHBondContact OD1-CB 3.34Å; N132-N134 PolarHBondContact OD1-N 3.46Å; N132-N135 CarbonylContact O-C 3.56Å; N132-N135 PolarHBondContact O-N 2.9Å; N132-N135 PolarHBondContact OD1-N 2.97Å; N132-P136 WeakPolarHBondContact O-CA 3.39Å
133V83.2Confident85.1Confident11 Ų1142.9 Ų42.97%0.06724%0.235CC..THydrogen-bonded Turntrans-72.3-19.4-179.8-62.60000114.2L49 I51 A123 L126 L131 N135L49-V133 HydrophobicContact CB-CG1 4.22Å; I51-V133 HydrophobicContact CD1-CB 4.18Å; I51-V133 HydrophobicContact CD1-CG1 4.43Å; A123-V133 HydrophobicContact CB-CG2 3.88Å; L126-V133 HydrophobicContact CB-CG1 4.47Å; L126-V133 HydrophobicContact CD1-CG1 3.66Å; L131-V133 PolarHBondContact O-N 3.27Å; L131-V133 VanDerWaalsContact O-N 3.16Å; V133-N135 VanDerWaalsContact C-N 3.32Å
134N76.1Confident84.9Confident124 Ų12445.7 Ų45.766%0.66324%0.242SC*.THydrogen-bonded Turntrans-75.9-25.9178-61.8-42.4000111.8N132N132-N134 VanDerWaalsContact C-N 3.3Å; N132-N134 PolarHBondContact O-N 2.99Å; N132-N134 WeakPolarHBondContact OD1-CB 3.34Å; N132-N134 PolarHBondContact OD1-N 3.46Å
135N75.4Confident84.9Confident40 Ų4041.6 Ų41.621%0.21422%0.22CC..SBendtrans-142.181.5171.7-169.95.5000110.4N132 V133 H137 E162N132-N135 CarbonylContact O-C 3.56Å; N132-N135 PolarHBondContact O-N 2.9Å; N132-N135 PolarHBondContact OD1-N 2.97Å; V133-N135 VanDerWaalsContact C-N 3.32Å; N135-H137 VanDerWaalsContact C-N 3.29Å; N135-H137 PolarHBondContact ND2-CE1 2.74Å; N135-H137 PolarHBondContact ND2-NE2 3.33Å; N135-H137 VanDerWaalsContact ND2-NE2 3.1Å; N135-H137 PolarHBondContact O-N 3.23Å; N135-E162 VanDerWaalsContact ND2-CB 3.28Å; N135-E162 WeakPolarHBondContact ND2-CB 3.1Å; N135-E162 VanDerWaalsContact ND2-CG 3.27Å; N135-E162 WeakPolarHBondContact ND2-CG 3.43Å; N135-E162 PolarHBondContact ND2-OE2 3.45Å; N135-E162 PolarHBondContact OD1-OE2 2.84Å
136P73.3Confident84.7Confident21 Ų2144.8 Ų44.814%0.13624%0.239CC..  trans-81.271.6-16735.3-38.4000111.5I51 N132 F138 I139I51-P136 HydrophobicContact CD1-CB 3.86Å; I51-P136 HydrophobicContact CD1-CG 3.96Å; N132-P136 WeakPolarHBondContact O-CA 3.39Å; P136-F138 HydrophobicContact CB-CD1 4.27Å; P136-F138 HydrophobicContact CB-CE1 3.79Å; P136-F138 HydrophobicContact CB-CZ 4.04Å; P136-F138 PolarHBondContact O-N 3.26Å; P136-I139 HydrophobicContact CB-CB 4.35Å; P136-I139 HydrophobicContact CB-CD1 3.7Å; P136-I139 HydrophobicContact CB-CG1 3.94Å; P136-I139 HydrophobicContact CG-CD1 4.28Å; P136-I139 PolarHBondContact O-N 3.05Å
137H83.4Confident84.6Confident32 Ų3252 Ų5215%0.14827%0.267CS..THydrogen-bonded Turntrans-57.5-22.6173.8-63.8-68.8000113N135 I139 E162 L415N135-H137 VanDerWaalsContact C-N 3.29Å; N135-H137 PolarHBondContact ND2-CE1 2.74Å; N135-H137 PolarHBondContact ND2-NE2 3.33Å; N135-H137 VanDerWaalsContact ND2-NE2 3.1Å; N135-H137 PolarHBondContact O-N 3.23Å; H137-I139 PolarHBondContact O-N 3.15Å; H137-E162 IonicContact CE1-OE2 4Å; H137-E162 PolarHBondContact CE1-OE2 3.26Å; H137-E162 IonicContact NE2-OE2 3.72Å; H137-L415 WeakPolarHBondContact O-CD2 3.49Å
138F87.9Confident84.7Confident7 Ų747.4 Ų47.43%0.03125%0.245CC..THydrogen-bonded Turntrans-75.8-3.117967.1-91.8000114.2L49 L131 P136 A420 V422 Y423 I424L49-F138 HydrophobicContact CD1-CE2 3.82Å; L49-F138 HydrophobicContact CD1-CZ 4.07Å; L131-F138 HydrophobicContact CB-CE1 4.48Å; L131-F138 HydrophobicContact CD2-CD1 4.2Å; L131-F138 HydrophobicContact CD2-CD2 4.2Å; L131-F138 HydrophobicContact CD2-CE1 4.16Å; L131-F138 HydrophobicContact CD2-CE2 4.15Å; L131-F138 HydrophobicContact CD2-CG 4.24Å; L131-F138 HydrophobicContact CD2-CZ 4.14Å; P136-F138 HydrophobicContact CB-CD1 4.27Å; P136-F138 HydrophobicContact CB-CE1 3.79Å; P136-F138 HydrophobicContact CB-CZ 4.04Å; P136-F138 PolarHBondContact O-N 3.26Å; F138-A420 HydrophobicContact CB-CB 3.71Å; F138-A420 HydrophobicContact CG-CB 4.42Å; F138-V422 VanDerWaalsContact CB-O 3.24Å; F138-V422 WeakPolarHBondContact CB-O 3.34Å; F138-V422 WeakPolarHBondContact CD2-O 3.47Å; F138-Y423 HydrophobicContact CB-CD1 3.78Å; F138-Y423 HydrophobicContact CB-CE1 4.17Å; F138-Y423 CarbonylContact O-C 3.21Å; F138-Y423 WeakPolarHBondContact O-CA 3.47Å; F138-I424 HydrophobicContact CE2-CD1 4.46Å; F138-I424 PolarHBondContact O-N 2.77Å
139I89.8Confident84.8Confident12 Ų1246.3 Ų46.36%0.06224%0.236CC..EExtended strand (participates in β ladder)trans-110.6121.7177.8-54.8179.5000109.2I51 P136 H137 M141 I424I51-I139 HydrophobicContact CD1-CD1 3.71Å; I51-I139 HydrophobicContact CG1-CD1 3.76Å; P136-I139 HydrophobicContact CB-CB 4.35Å; P136-I139 HydrophobicContact CB-CD1 3.7Å; P136-I139 HydrophobicContact CB-CG1 3.94Å; P136-I139 HydrophobicContact CG-CD1 4.28Å; P136-I139 PolarHBondContact O-N 3.05Å; H137-I139 PolarHBondContact O-N 3.15Å; I139-M141 HydrophobicContact CG2-CE 3.41Å; I139-M141 VanDerWaalsContact CG2-CE 3.41Å; I139-M141 HydrophobicContact CG2-CG 3.78Å; I139-M141 HydrophobicContact CG2-SD 3.82Å; I139-I424 WeakPolarHBondContact CA-O 3.13Å; I139-I424 HydrophobicContact CG1-CB 4.45Å; I139-I424 HydrophobicContact CG1-CD1 4.34Å
140V90.1Very high85.1Confident4 Ų451 Ų512%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-120.487.5175-170.90000108.2R144 I411 I424 L425 D426 I428V140-R144 HydrophobicContact CG1-CB 3.96Å; V140-R144 HydrophobicContact CG1-CG 4.06Å; V140-I411 HydrophobicContact CG1-CD1 4.15Å; V140-I411 HydrophobicContact CG1-CG2 4.49Å; V140-I411 HydrophobicContact CG2-CG2 3.72Å; V140-I424 PolarHBondContact N-O 3.41Å; V140-L425 HydrophobicContact CB-CD2 3.6Å; V140-L425 HydrophobicContact CG2-CD2 3.52Å; V140-D426 PolarHBondContact O-N 3.42Å; V140-I428 HydrophobicContact CB-CG2 4.09Å; V140-I428 HydrophobicContact CG1-CG2 3.6Å
141M87.9Confident85.5Confident26 Ų2645.4 Ų45.413%0.12823%0.234CC..  trans-73.9160.9175.2-64.2-50.6-17300112.1C46 I139 G143 R144 D426C46-M141 HydrophobicContact CB-CE 4.34Å; C46-M141 WeakPolarHBondContact SG-CE 3.15Å; I139-M141 HydrophobicContact CG2-CE 3.41Å; I139-M141 VanDerWaalsContact CG2-CE 3.41Å; I139-M141 HydrophobicContact CG2-CG 3.78Å; I139-M141 HydrophobicContact CG2-SD 3.82Å; M141-G143 PolarHBondContact O-N 2.82Å; M141-R144 WeakPolarHBondContact O-CB 3.44Å; M141-R144 PolarHBondContact O-N 3.06Å; M141-D426 HydrophobicContact SD-CB 3.96Å
142Q85.1Confident85.9Confident110 Ų11052.6 Ų52.651%0.51427%0.266SS..THydrogen-bonded Turntrans-51.7138.7173.7-170.7175.226.600111.5R144 D426 E427Q142-R144 PolarHBondContact O-N 2.87Å; Q142-D426 WeakPolarHBondContact CA-O 3.45Å; Q142-D426 PolarHBondContact N-O 3.47Å; Q142-E427 HydrophobicContact CG-CB 4.49Å; Q142-E427 PolarHBondContact NE2-OE2 2.99Å
143G84.1Confident86.4Confident44 Ų4452 Ų5245%0.45427%0.266SS..THydrogen-bonded Turntrans81.5-10.9-176.800000114.8M141 I145 T146 R147M141-G143 PolarHBondContact O-N 2.82Å; G143-I145 VanDerWaalsContact C-N 3.29Å; G143-I145 PolarHBondContact O-N 3.4Å; G143-T146 PolarHBondContact O-N 2.96Å; G143-R147 PolarHBondContact O-N 2.7Å
144R87.8Confident86.8Confident75 Ų7554.4 Ų54.428%0.28329%0.287SS..Hα-helixtrans-58.9-40.6174.6-174.567.8179.1-160.45111.9V140 M141 Q142 R147 V148 I411V140-R144 HydrophobicContact CG1-CB 3.96Å; V140-R144 HydrophobicContact CG1-CG 4.06Å; M141-R144 WeakPolarHBondContact O-CB 3.44Å; M141-R144 PolarHBondContact O-N 3.06Å; Q142-R144 PolarHBondContact O-N 2.87Å; R144-R147 WeakPolarHBondContact O-CB 3.43Å; R144-R147 PolarHBondContact O-N 3.28Å; R144-V148 WeakPolarHBondContact O-CG2 3.26Å; R144-V148 PolarHBondContact O-N 2.9Å; R144-I411 HydrophobicContact CG-CD1 4.43Å
145I88.7Confident87.6Confident14 Ų1452.6 Ų52.67%0.07228%0.275CS..Hα-helixtrans-58.9-50.1177.4-62.5174.1000110.7G143 R147 V148 L149 A407 L408 I411 I428G143-I145 VanDerWaalsContact C-N 3.29Å; G143-I145 PolarHBondContact O-N 3.4Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 2.94Å; I145-V148 PolarHBondContact O-N 2.67Å; I145-L149 PolarHBondContact O-N 2.82Å; I145-A407 HydrophobicContact CG2-CB 3.77Å; I145-L408 HydrophobicContact CD1-CD1 4.22Å; I145-I411 HydrophobicContact CG1-CD1 4.03Å; I145-I428 HydrophobicContact CD1-CB 3.87Å; I145-I428 HydrophobicContact CD1-CG2 4.36Å; I145-I428 WeakPolarHBondContact CD1-O 3.19Å
146T87.6Confident88.4Confident80 Ų8051.1 Ų51.149%0.49127%0.267SS..Hα-helixtrans-62.3-37.2177.9-48.80000111.8G143 L149 N150G143-T146 PolarHBondContact O-N 2.96Å; T146-L149 PolarHBondContact O-N 3.02Å; T146-N150 PolarHBondContact O-N 2.88Å; T146-N150 PolarHBondContact O-ND2 3.02Å
147R88.6Confident89.3Confident154 Ų15450.5 Ų50.558%0.58126%0.262SS*.Hα-helixtrans-62.3-47.9174-179.3178.4-85.4171.4-5.3111G143 R144 I145 L149 N150 M151G143-R147 PolarHBondContact O-N 2.7Å; R144-R147 WeakPolarHBondContact O-CB 3.43Å; R144-R147 PolarHBondContact O-N 3.28Å; I145-R147 VanDerWaalsContact C-N 3.28Å; I145-R147 PolarHBondContact O-N 2.94Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 2.89Å; R147-N150 CarbonylContact O-C 3.29Å; R147-N150 PolarHBondContact O-N 3.18Å; R147-M151 HydrophobicContact CG-CE 4.04Å; R147-M151 WeakPolarHBondContact O-CG 3.33Å; R147-M151 PolarHBondContact O-N 3.04Å
148V89.8Confident89.6Confident1 Ų150.4 Ų50.41%0.00627%0.265CS..Hα-helixtrans-57.4-40.2178.5170.10000111.4R144 I145 N150 M151 M159 A407 L410 I411R144-V148 WeakPolarHBondContact O-CG2 3.26Å; R144-V148 PolarHBondContact O-N 2.9Å; I145-V148 PolarHBondContact O-N 2.67Å; V148-N150 VanDerWaalsContact C-N 3.25Å; V148-N150 PolarHBondContact O-N 3.32Å; V148-M151 HydrophobicContact CG2-CE 3.88Å; V148-M151 HydrophobicContact CG2-SD 4.34Å; V148-M151 PolarHBondContact O-N 2.66Å; V148-M159 HydrophobicContact CG2-SD 4.33Å; V148-A407 HydrophobicContact CB-CB 4.22Å; V148-A407 HydrophobicContact CG1-CB 3.94Å; V148-L410 HydrophobicContact CG1-CD2 3.93Å; V148-I411 HydrophobicContact CG2-CD1 4.13Å; V148-I411 HydrophobicContact CG2-CG1 4.16Å
149L87.1Confident89.6Confident22 Ų2250.7 Ų50.712%0.11527%0.267CS..Hα-helixtrans-65-26.3176.8-72.3169.6000114.9I145 T146 R147 R403 A407I145-L149 PolarHBondContact O-N 2.82Å; T146-L149 PolarHBondContact O-N 3.02Å; R147-L149 VanDerWaalsContact C-N 3.26Å; R147-L149 PolarHBondContact O-N 2.89Å; L149-R403 HydrophobicContact CD1-CB 3.74Å; L149-R403 HydrophobicContact CD2-CB 4.1Å; L149-R403 VanDerWaalsContact CD2-O 3.31Å; L149-R403 WeakPolarHBondContact CD2-O 3.2Å; L149-A407 HydrophobicContact CD1-CB 4.24Å; L149-A407 HydrophobicContact CD2-CB 3.62Å; L149-A407 HydrophobicContact CG-CB 3.52Å
150N89.4Confident89.6Confident104 Ų10450.2 Ų50.256%0.55627%0.265SS*.THydrogen-bonded Turntrans-106.97.3-176-63.3-30.6000112.3T146 R147 V148T146-N150 PolarHBondContact O-N 2.88Å; T146-N150 PolarHBondContact O-ND2 3.02Å; R147-N150 CarbonylContact O-C 3.29Å; R147-N150 PolarHBondContact O-N 3.18Å; V148-N150 VanDerWaalsContact C-N 3.25Å; V148-N150 PolarHBondContact O-N 3.32Å
151M91.7Very high89.5Confident27 Ų2750.9 Ų50.913%0.13327%0.267CS..  trans-65.3137.7176.5-82178.1-173.300110.3R147 V148 E155 I156 M159R147-M151 HydrophobicContact CG-CE 4.04Å; R147-M151 WeakPolarHBondContact O-CG 3.33Å; R147-M151 PolarHBondContact O-N 3.04Å; V148-M151 HydrophobicContact CG2-CE 3.88Å; V148-M151 HydrophobicContact CG2-SD 4.34Å; V148-M151 PolarHBondContact O-N 2.66Å; M151-E155 HydrophobicContact CB-CB 3.91Å; M151-E155 HydrophobicContact CG-CB 3.96Å; M151-E155 HydrophobicContact SD-CB 4.41Å; M151-I156 HydrophobicContact CB-CD1 4.42Å; M151-I156 HydrophobicContact CB-CG1 3.73Å; M151-M159 HydrophobicContact CE-SD 3.89Å; M151-M159 HydrophobicContact SD-SD 3.96Å
152K93.5Very high89.3Confident154 Ų15451.1 Ų51.167%0.6727%0.268SS*.  trans-70.9163168.9-63.1175.9-175.7176.80110.3A154 E155 I156K152-A154 PolarHBondContact O-N 3.01Å; K152-A154 VanDerWaalsContact O-N 3.16Å; K152-E155 HydrophobicContact CB-CG 4.44Å; K152-E155 WeakPolarHBondContact CB-OE1 3.42Å; K152-E155 WeakPolarHBondContact CG-OE1 3.48Å; K152-E155 PolarHBondContact N-OE1 3.23Å; K152-E155 VanDerWaalsContact N-OE1 3.12Å; K152-E155 WeakPolarHBondContact O-CA 3.12Å; K152-E155 WeakPolarHBondContact O-CB 3.5Å; K152-E155 PolarHBondContact O-N 3.4Å; K152-I156 PolarHBondContact O-N 2.94Å; K152-I156 VanDerWaalsContact O-N 3.12Å
153A93.7Very high89.1Confident30 Ų3046.4 Ų46.425%0.24825%0.248CC..Hα-helixtrans-56.4-37.9-177.100000114.5E155 L157 V372 G380 L381A153-E155 VanDerWaalsContact C-N 3.33Å; A153-L157 PolarHBondContact O-N 2.8Å; A153-L157 VanDerWaalsContact O-N 3.14Å; A153-V372 HydrophobicContact CB-CG2 3.4Å; A153-V372 VanDerWaalsContact CB-CG2 3.4Å; A153-G380 VanDerWaalsContact O-CA 3.31Å; A153-G380 WeakPolarHBondContact O-CA 3.42Å; A153-L381 WeakPolarHBondContact CA-O 3.42Å; A153-L381 WeakPolarHBondContact CB-O 3.28Å; A153-L381 PolarHBondContact O-N 3.25Å
154A92.2Very high89Confident61 Ų6145.2 Ų45.250%0.50423%0.232SC..Hα-helixtrans-68-30.9175.300000113K152 S158K152-A154 PolarHBondContact O-N 3.01Å; K152-A154 VanDerWaalsContact O-N 3.16Å; A154-S158 WeakPolarHBondContact O-CB 3.29Å; A154-S158 PolarHBondContact O-N 2.98Å
155E91.8Very high88.6Confident87 Ų8742.4 Ų42.441%0.40723%0.226SC..Hα-helixtrans-73.3-39.9177.9-65.8174.3-107.800111.3M151 K152 A153 S158 M159M151-E155 HydrophobicContact CB-CB 3.91Å; M151-E155 HydrophobicContact CG-CB 3.96Å; M151-E155 HydrophobicContact SD-CB 4.41Å; K152-E155 HydrophobicContact CB-CG 4.44Å; K152-E155 WeakPolarHBondContact CB-OE1 3.42Å; K152-E155 WeakPolarHBondContact CG-OE1 3.48Å; K152-E155 PolarHBondContact N-OE1 3.23Å; K152-E155 VanDerWaalsContact N-OE1 3.12Å; K152-E155 WeakPolarHBondContact O-CA 3.12Å; K152-E155 WeakPolarHBondContact O-CB 3.5Å; K152-E155 PolarHBondContact O-N 3.4Å; A153-E155 VanDerWaalsContact C-N 3.33Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.35Å; E155-M159 PolarHBondContact O-N 2.88Å
156I92.8Very high88.1Confident9 Ų942 Ų425%0.04622%0.224CC..Hα-helixtrans-61.9-46174.1-61.3177.7000110.1M151 K152 S158 M159 I160 L369 L381 I383M151-I156 HydrophobicContact CB-CD1 4.42Å; M151-I156 HydrophobicContact CB-CG1 3.73Å; K152-I156 PolarHBondContact O-N 2.94Å; K152-I156 VanDerWaalsContact O-N 3.12Å; I156-S158 VanDerWaalsContact C-N 3.32Å; I156-S158 PolarHBondContact O-N 3.43Å; I156-M159 VanDerWaalsContact O-CB 3.31Å; I156-M159 WeakPolarHBondContact O-CB 3.37Å; I156-M159 PolarHBondContact O-N 3.2Å; I156-M159 VanDerWaalsContact O-N 3.15Å; I156-I160 PolarHBondContact O-N 2.93Å; I156-L369 HydrophobicContact CG2-CD2 4.2Å; I156-L381 HydrophobicContact CB-CB 4.38Å; I156-L381 HydrophobicContact CG2-CB 3.91Å; I156-I383 HydrophobicContact CD1-CD1 4.32Å; I156-I383 HydrophobicContact CD1-CG1 4.11Å
157L92.6Very high87.4Confident7 Ų741.5 Ų41.54%0.03722%0.216CC..Hα-helixtrans-57.3-46.4173.8175.765000111.3A153 M159 I160 E161 L343 L378 L381A153-L157 PolarHBondContact O-N 2.8Å; A153-L157 VanDerWaalsContact O-N 3.14Å; L157-M159 PolarHBondContact O-N 3.41Å; L157-I160 WeakPolarHBondContact O-CA 2.89Å; L157-I160 PolarHBondContact O-N 2.93Å; L157-E161 HydrophobicContact CD1-CG 4.34Å; L157-E161 HydrophobicContact CG-CG 4.26Å; L157-E161 WeakPolarHBondContact O-CG 3.21Å; L157-E161 PolarHBondContact O-N 3.12Å; L157-L343 HydrophobicContact CD1-CD1 4.06Å; L157-L343 HydrophobicContact CD1-CD2 4.35Å; L157-L378 VanDerWaalsContact CD2-O 3.25Å; L157-L378 WeakPolarHBondContact CD2-O 3.3Å; L157-L381 HydrophobicContact CB-CD1 4.48Å; L157-L381 HydrophobicContact CB-CG 4.34Å; L157-L381 HydrophobicContact CD1-CD1 4.12Å; L157-L381 HydrophobicContact CD1-CG 4.27Å
158S89.6Confident86.5Confident30 Ų3039.4 Ų39.421%0.2121%0.214CC..Hα-helixtrans-58.1-36.7177.8-164.40000112.2A154 E155 I156 I160 E161 E162A154-S158 WeakPolarHBondContact O-CB 3.29Å; A154-S158 PolarHBondContact O-N 2.98Å; E155-S158 WeakPolarHBondContact O-CB 3.49Å; E155-S158 PolarHBondContact O-N 3.35Å; I156-S158 VanDerWaalsContact C-N 3.32Å; I156-S158 PolarHBondContact O-N 3.43Å; S158-I160 VanDerWaalsContact C-N 3.32Å; S158-I160 PolarHBondContact O-N 2.82Å; S158-E161 WeakPolarHBondContact CA-OE2 3.48Å; S158-E161 PolarHBondContact O-N 3.29Å; S158-E162 WeakPolarHBondContact O-CB 3.31Å; S158-E162 VanDerWaalsContact O-CG 3.26Å; S158-E162 WeakPolarHBondContact O-CG 3.43Å; S158-E162 PolarHBondContact O-N 2.88Å
159M87.4Confident85.5Confident13 Ų1340.8 Ų40.86%0.06422%0.219CC..Hα-helixtrans-63-37.6175.6-134.9177.568.200112.4V148 M151 E155 I156 L157 A163 M414V148-M159 HydrophobicContact CG2-SD 4.33Å; M151-M159 HydrophobicContact CE-SD 3.89Å; M151-M159 HydrophobicContact SD-SD 3.96Å; E155-M159 PolarHBondContact O-N 2.88Å; I156-M159 VanDerWaalsContact O-CB 3.31Å; I156-M159 WeakPolarHBondContact O-CB 3.37Å; I156-M159 PolarHBondContact O-N 3.2Å; I156-M159 VanDerWaalsContact O-N 3.15Å; L157-M159 PolarHBondContact O-N 3.41Å; M159-A163 PolarHBondContact O-N 3.49Å; M159-M414 HydrophobicContact CE-CG 3.91Å; M159-M414 VanDerWaalsContact O-CE 3.26Å; M159-M414 WeakPolarHBondContact O-CE 3.11Å
160I90Very high84.7Confident3 Ų341.8 Ų41.82%0.01523%0.225CC..Hα-helixtrans-71.6-43.2173-57.8-167.3000111.1I156 L157 S158 E162 A163 T164 L343 A346 L347 I350 L369 L381 M414I156-I160 PolarHBondContact O-N 2.93Å; L157-I160 WeakPolarHBondContact O-CA 2.89Å; L157-I160 PolarHBondContact O-N 2.93Å; S158-I160 VanDerWaalsContact C-N 3.32Å; S158-I160 PolarHBondContact O-N 2.82Å; I160-E162 PolarHBondContact O-N 3.47Å; I160-A163 PolarHBondContact O-N 3.29Å; I160-T164 HydrophobicContact CG2-CG2 4.09Å; I160-T164 WeakPolarHBondContact O-CG2 3.38Å; I160-T164 PolarHBondContact O-N 3.48Å; I160-T164 PolarHBondContact O-OG1 3.48Å; I160-L343 HydrophobicContact CG2-CD2 4.02Å; I160-A346 HydrophobicContact CG2-CB 4.16Å; I160-L347 HydrophobicContact CD1-CD1 4.03Å; I160-I350 HydrophobicContact CB-CD1 4.5Å; I160-I350 HydrophobicContact CD1-CD1 4.01Å; I160-I350 HydrophobicContact CG1-CD1 4.12Å; I160-I350 HydrophobicContact CG2-CD1 3.82Å; I160-L369 HydrophobicContact CD1-CD1 3.78Å; I160-L381 HydrophobicContact CD1-CD1 3.27Å; I160-L381 HydrophobicContact CG1-CD1 4.13Å; I160-M414 HydrophobicContact CG1-CE 4.33Å; I160-M414 HydrophobicContact CG1-SD 4.26Å
161E87.8Confident83.7Confident17 Ų1741.6 Ų41.68%0.07922%0.22CC..Hα-helixtrans-58.5-34.1177.2-70.3173.4155.300112.5L157 S158 T164 G165 S166 K167 K339 L343L157-E161 HydrophobicContact CD1-CG 4.34Å; L157-E161 HydrophobicContact CG-CG 4.26Å; L157-E161 WeakPolarHBondContact O-CG 3.21Å; L157-E161 PolarHBondContact O-N 3.12Å; S158-E161 WeakPolarHBondContact CA-OE2 3.48Å; S158-E161 PolarHBondContact O-N 3.29Å; E161-T164 WeakPolarHBondContact CA-OG1 3.47Å; E161-T164 PolarHBondContact O-OG1 2.97Å; E161-T164 VanDerWaalsContact O-OG1 3.11Å; E161-G165 CarbonylContact O-C 3.55Å; E161-G165 WeakPolarHBondContact O-CA 3.35Å; E161-G165 PolarHBondContact O-N 3.07Å; E161-S166 VanDerWaalsContact CA-OG 3.24Å; E161-S166 WeakPolarHBondContact CA-OG 3.24Å; E161-S166 WeakPolarHBondContact CB-OG 3.47Å; E161-S166 WeakPolarHBondContact CG-OG 3.49Å; E161-S166 PolarHBondContact O-N 2.87Å; E161-S166 PolarHBondContact O-OG 3.4Å; E161-K167 HydrophobicContact CB-CB 4.27Å; E161-K167 PolarHBondContact O-N 3.49Å; E161-K167 VanDerWaalsContact O-N 3.08Å; E161-K339 WeakPolarHBondContact OE1-CE 3.41Å; E161-K339 IonicContact OE1-NZ 3.73Å; E161-K339 PolarHBondContact OE1-NZ 2.99Å; E161-L343 HydrophobicContact CG-CD1 4.35Å; E161-L343 HydrophobicContact CG-CD2 3.81Å
162E83.8Confident82.7Confident31 Ų3142 Ų4215%0.14522%0.223CC..Hα-helixtrans-69.5-39173.8-77.4176-176.600112.8N135 H137 S158 I160 G165 K167 K418N135-E162 VanDerWaalsContact ND2-CB 3.28Å; N135-E162 WeakPolarHBondContact ND2-CB 3.1Å; N135-E162 VanDerWaalsContact ND2-CG 3.27Å; N135-E162 WeakPolarHBondContact ND2-CG 3.43Å; N135-E162 PolarHBondContact ND2-OE2 3.45Å; N135-E162 PolarHBondContact OD1-OE2 2.84Å; H137-E162 IonicContact CE1-OE2 4Å; H137-E162 PolarHBondContact CE1-OE2 3.26Å; H137-E162 IonicContact NE2-OE2 3.72Å; S158-E162 WeakPolarHBondContact O-CB 3.31Å; S158-E162 VanDerWaalsContact O-CG 3.26Å; S158-E162 WeakPolarHBondContact O-CG 3.43Å; S158-E162 PolarHBondContact O-N 2.88Å; I160-E162 PolarHBondContact O-N 3.47Å; E162-G165 PolarHBondContact O-N 3.13Å; E162-K167 HydrophobicContact CG-CB 4.19Å; E162-K167 HydrophobicContact CG-CD 3.4Å; E162-K167 HydrophobicContact CG-CG 4.43Å; E162-K167 WeakPolarHBondContact OE1-CD 3.27Å; E162-K167 IonicContact OE1-NZ 3.28Å; E162-K167 PolarHBondContact OE1-NZ 3.12Å; E162-K418 PolarHBondContact O-NZ 3.43Å
163A81.1Confident81.7Confident12 Ų1238.4 Ų38.410%0.09921%0.205CC..Hα-helixtrans-71.2-41179.600000111.8M159 I160 G165 M414 F417 K418M159-A163 PolarHBondContact O-N 3.49Å; I160-A163 PolarHBondContact O-N 3.29Å; A163-G165 PolarHBondContact O-N 3.41Å; A163-M414 HydrophobicContact CB-CE 3.36Å; A163-F417 HydrophobicContact CB-CD1 3.86Å; A163-F417 HydrophobicContact CB-CE1 4.08Å; A163-K418 HydrophobicContact CB-CD 4.47Å
164T82.2Confident80.6Confident19 Ų1939.6 Ų39.612%0.11722%0.215CC..Hα-helixtrans-71.7-16.1172.562.10000112.8I160 E161 S166 L343 A346 F417I160-T164 HydrophobicContact CG2-CG2 4.09Å; I160-T164 WeakPolarHBondContact O-CG2 3.38Å; I160-T164 PolarHBondContact O-N 3.48Å; I160-T164 PolarHBondContact O-OG1 3.48Å; E161-T164 WeakPolarHBondContact CA-OG1 3.47Å; E161-T164 PolarHBondContact O-OG1 2.97Å; E161-T164 VanDerWaalsContact O-OG1 3.11Å; T164-S166 WeakPolarHBondContact OG1-CB 3.34Å; T164-S166 PolarHBondContact OG1-N 2.77Å; T164-S166 PolarHBondContact OG1-OG 3.38Å; T164-L343 HydrophobicContact CG2-CD2 4.44Å; T164-A346 HydrophobicContact CG2-CB 3.23Å; T164-F417 HydrophobicContact CG2-CE1 4.01Å; T164-F417 HydrophobicContact CG2-CZ 4.03Å
165G78.7Confident79.5Confident15 Ų1542.3 Ų42.316%0.15521%0.212CC..THydrogen-bonded Turntrans7414.7-172.900000113.1E161 E162 A163 K167E161-G165 CarbonylContact O-C 3.55Å; E161-G165 WeakPolarHBondContact O-CA 3.35Å; E161-G165 PolarHBondContact O-N 3.07Å; E162-G165 PolarHBondContact O-N 3.13Å; A163-G165 PolarHBondContact O-N 3.41Å; G165-K167 VanDerWaalsContact C-N 3.35Å
166S78.1Confident78.3Confident5 Ų539 Ų394%0.03520%0.2CC..  trans-76.8-17.3177.467.70000114.2E161 T164 M168 Y169E161-S166 VanDerWaalsContact CA-OG 3.24Å; E161-S166 WeakPolarHBondContact CA-OG 3.24Å; E161-S166 WeakPolarHBondContact CB-OG 3.47Å; E161-S166 WeakPolarHBondContact CG-OG 3.49Å; E161-S166 PolarHBondContact O-N 2.87Å; E161-S166 PolarHBondContact O-OG 3.4Å; T164-S166 WeakPolarHBondContact OG1-CB 3.34Å; T164-S166 PolarHBondContact OG1-N 2.77Å; T164-S166 PolarHBondContact OG1-OG 3.38Å; S166-M168 VanDerWaalsContact C-N 3.29Å; S166-M168 PolarHBondContact O-N 3.43Å; S166-Y169 VanDerWaalsContact CA-CD2 3.5Å; S166-Y169 VanDerWaalsContact O-CB 3.25Å; S166-Y169 WeakPolarHBondContact O-CB 3.37Å; S166-Y169 WeakPolarHBondContact O-CD2 3.29Å; S166-Y169 PolarHBondContact O-N 2.89Å
167K74.5Confident77.4Confident71 Ų7141 Ų4131%0.30921%0.212SC..Hα-helixtrans-57.7-37.2179.9-175.1172.4-178.9-179.20113.8E161 E162 G165 Y169 D170 E171E161-K167 HydrophobicContact CB-CB 4.27Å; E161-K167 PolarHBondContact O-N 3.49Å; E161-K167 VanDerWaalsContact O-N 3.08Å; E162-K167 HydrophobicContact CG-CB 4.19Å; E162-K167 HydrophobicContact CG-CD 3.4Å; E162-K167 HydrophobicContact CG-CG 4.43Å; E162-K167 WeakPolarHBondContact OE1-CD 3.27Å; E162-K167 IonicContact OE1-NZ 3.28Å; E162-K167 PolarHBondContact OE1-NZ 3.12Å; G165-K167 VanDerWaalsContact C-N 3.35Å; K167-Y169 PolarHBondContact O-N 3.44Å; K167-Y169 VanDerWaalsContact O-N 3.11Å; K167-D170 PolarHBondContact O-N 2.96Å; K167-E171 PolarHBondContact O-N 3.02Å
168M68.4Low76.5Confident110 Ų11044.3 Ų44.354%0.54223%0.233SC..Hα-helixtrans-58.4-26.7175.1-74-165.6174.200112.4S166 N172S166-M168 VanDerWaalsContact C-N 3.29Å; S166-M168 PolarHBondContact O-N 3.43Å; M168-N172 VanDerWaalsContact O-CB 3.24Å; M168-N172 WeakPolarHBondContact O-CB 3.29Å; M168-N172 PolarHBondContact O-N 3.11Å; M168-N172 PolarHBondContact O-ND2 3.29Å
169Y68.8Low75.7Confident29 Ų2945.4 Ų45.411%0.11423%0.234CC..Hα-helixtrans-72.6-33.8176.5-59.3-57.2000113.2S166 K167 N172 R173 M335 R522 I525S166-Y169 VanDerWaalsContact CA-CD2 3.5Å; S166-Y169 VanDerWaalsContact O-CB 3.25Å; S166-Y169 WeakPolarHBondContact O-CB 3.37Å; S166-Y169 WeakPolarHBondContact O-CD2 3.29Å; S166-Y169 PolarHBondContact O-N 2.89Å; K167-Y169 PolarHBondContact O-N 3.44Å; K167-Y169 VanDerWaalsContact O-N 3.11Å; Y169-N172 PolarHBondContact O-N 3.36Å; Y169-R173 WeakPolarHBondContact O-CB 3.3Å; Y169-R173 PolarHBondContact O-N 3.13Å; Y169-M335 HydrophobicContact CD1-CE 4.31Å; Y169-R522 HydrophobicContact CE2-CG 4.26Å; Y169-R522 VanDerWaalsContact OH-C 3.24Å; Y169-R522 WeakPolarHBondContact OH-CA 3.46Å; Y169-R522 WeakPolarHBondContact OH-CB 3.45Å; Y169-R522 WeakPolarHBondContact OH-CG 3.47Å; Y169-R522 PolarHBondContact OH-O 2.98Å; Y169-I525 HydrophobicContact CD1-CB 4.46Å; Y169-I525 HydrophobicContact CD1-CG2 3.45Å; Y169-I525 VanDerWaalsContact CD1-CG2 3.45Å; Y169-I525 HydrophobicContact CD2-CD1 4.2Å; Y169-I525 HydrophobicContact CE1-CB 3.83Å; Y169-I525 HydrophobicContact CE1-CG2 3.23Å; Y169-I525 HydrophobicContact CE2-CD1 3.87Å; Y169-I525 HydrophobicContact CE2-CG2 4.38Å; Y169-I525 HydrophobicContact CG-CG2 4.11Å
170D70.3Confident74.9Confident44 Ų4445.8 Ų45.824%0.23524%0.236CC..Hα-helixtrans-69.2-40.9177.1-64.7-47.8000110.9K167 N172 R173 A174 K339K167-D170 PolarHBondContact O-N 2.96Å; D170-N172 VanDerWaalsContact C-N 3.35Å; D170-N172 PolarHBondContact O-N 2.95Å; D170-R173 PolarHBondContact O-N 3.33Å; D170-A174 VanDerWaalsContact O-CB 3.27Å; D170-A174 WeakPolarHBondContact O-CB 3.34Å; D170-A174 PolarHBondContact O-N 3.32Å; D170-K339 IonicContact OD1-NZ 3.76Å; D170-K339 PolarHBondContact OD1-NZ 3.32Å; D170-K339 IonicContact OD2-NZ 3.89Å; D170-K339 PolarHBondContact OD2-NZ 3.49Å
171E69.6Low74.1Confident100 Ų10049.6 Ų49.647%0.46726%0.257SS..Hα-helixtrans-62-44.1173.5-66174-179.500111.2K167 R175K167-E171 PolarHBondContact O-N 3.02Å; E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.48Å; E171-R175 PolarHBondContact O-N 2.92Å; E171-R175 VanDerWaalsContact O-N 3.08Å
172N69.9Low73.5Confident34 Ų3455.2 Ų55.218%0.18228%0.281CS..Hα-helixtrans-63.7-43.7175.8-79.2-7.8000112.6M168 Y169 D170 R175 A176 F546M168-N172 VanDerWaalsContact O-CB 3.24Å; M168-N172 WeakPolarHBondContact O-CB 3.29Å; M168-N172 PolarHBondContact O-N 3.11Å; M168-N172 PolarHBondContact O-ND2 3.29Å; Y169-N172 PolarHBondContact O-N 3.36Å; D170-N172 VanDerWaalsContact C-N 3.35Å; D170-N172 PolarHBondContact O-N 2.95Å; N172-R175 PolarHBondContact O-N 3.37Å; N172-R175 PolarHBondContact OD1-NH2 3.46Å; N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.83Å; N172-F546 HydrophobicContact CB-CE1 3.55Å; N172-F546 HydrophobicContact CB-CZ 4.03Å
173R71.6Confident72.9Confident80 Ų8057.6 Ų57.630%0.30229%0.291SS..Hα-helixtrans-63.8-47.2176.2169.2173.8179.5-1664.1111.5Y169 D170 R175 A176 V177 L332 Q336Y169-R173 WeakPolarHBondContact O-CB 3.3Å; Y169-R173 PolarHBondContact O-N 3.13Å; D170-R173 PolarHBondContact O-N 3.33Å; R173-R175 VanDerWaalsContact C-N 3.27Å; R173-R175 PolarHBondContact O-N 3.42Å; R173-A176 PolarHBondContact O-N 3.07Å; R173-A176 VanDerWaalsContact O-N 3.15Å; R173-V177 HydrophobicContact CG-CG2 4.33Å; R173-V177 WeakPolarHBondContact O-CG2 3.4Å; R173-V177 PolarHBondContact O-N 3.4Å; R173-L332 HydrophobicContact CB-CD2 4.18Å; R173-L332 HydrophobicContact CG-CD2 3.71Å; R173-Q336 VanDerWaalsContact NH2-NE2 3.12Å
174A71.9Confident72.3Confident55 Ų5563.3 Ų63.346%0.45531%0.31SS..Hα-helixtrans-59.1-41.9178.800000110.8D170 T178D170-A174 VanDerWaalsContact O-CB 3.27Å; D170-A174 WeakPolarHBondContact O-CB 3.34Å; D170-A174 PolarHBondContact O-N 3.32Å; A174-T178 WeakPolarHBondContact O-CB 3.27Å; A174-T178 VanDerWaalsContact O-CG2 3.26Å; A174-T178 WeakPolarHBondContact O-CG2 3.46Å; A174-T178 PolarHBondContact O-N 2.73Å; A174-T178 PolarHBondContact O-OG1 2.79Å
175R67.9Low71.7Confident117 Ų11767.1 Ų67.144%0.44233%0.326SS..Hα-helixtrans-64.9-42.3173.9-70.4-172.6-66.1-178.8-3.9112.9E171 N172 R173 T178 F179 L550E171-R175 VanDerWaalsContact O-CG 3.3Å; E171-R175 WeakPolarHBondContact O-CG 3.48Å; E171-R175 PolarHBondContact O-N 2.92Å; E171-R175 VanDerWaalsContact O-N 3.08Å; N172-R175 PolarHBondContact O-N 3.37Å; N172-R175 PolarHBondContact OD1-NH2 3.46Å; R173-R175 VanDerWaalsContact C-N 3.27Å; R173-R175 PolarHBondContact O-N 3.42Å; R175-T178 WeakPolarHBondContact CA-OG1 3.46Å; R175-T178 PolarHBondContact O-OG1 3.39Å; R175-F179 VanDerWaalsContact O-CB 3.29Å; R175-F179 WeakPolarHBondContact O-CB 3.22Å; R175-F179 PolarHBondContact O-N 3.34Å; R175-L550 HydrophobicContact CB-CD2 3.44Å; R175-L550 VanDerWaalsContact CB-CD2 3.44Å; R175-L550 HydrophobicContact CG-CD2 4.13Å
176A68.1Low71.3Confident19 Ų1972 Ų7216%0.15735%0.345CS..Hα-helixtrans-63.4-44.4176.300000112.4N172 R173 F179 I180 F546N172-A176 WeakPolarHBondContact O-CB 3.22Å; N172-A176 PolarHBondContact O-N 2.83Å; R173-A176 PolarHBondContact O-N 3.07Å; R173-A176 VanDerWaalsContact O-N 3.15Å; A176-F179 WeakPolarHBondContact O-CB 3.38Å; A176-F179 PolarHBondContact O-N 3.06Å; A176-I180 WeakPolarHBondContact O-CG1 3.47Å; A176-I180 PolarHBondContact O-N 3.04Å; A176-F546 HydrophobicContact CB-CZ 4.18Å
177V72.5Confident70.6Confident50 Ų5073.6 Ų73.630%0.30335%0.35SS..Hα-helixtrans-66.8-45.2179.4171.80000111.5R173 F179 I180 N181 L332R173-V177 HydrophobicContact CG-CG2 4.33Å; R173-V177 WeakPolarHBondContact O-CG2 3.4Å; R173-V177 PolarHBondContact O-N 3.4Å; V177-F179 VanDerWaalsContact C-N 3.26Å; V177-F179 PolarHBondContact O-N 2.93Å; V177-I180 PolarHBondContact O-N 3.22Å; V177-N181 PolarHBondContact O-N 2.81Å; V177-N181 PolarHBondContact O-ND2 3.5Å; V177-L332 HydrophobicContact CG2-CD1 3.72Å
178T75.2Confident70Confident76 Ų7674.8 Ų74.847%0.46636%0.36SS..Hα-helixtrans-61.6-37176.250.30000111.5A174 R175 N181 K182A174-T178 WeakPolarHBondContact O-CB 3.27Å; A174-T178 VanDerWaalsContact O-CG2 3.26Å; A174-T178 WeakPolarHBondContact O-CG2 3.46Å; A174-T178 PolarHBondContact O-N 2.73Å; A174-T178 PolarHBondContact O-OG1 2.79Å; R175-T178 WeakPolarHBondContact CA-OG1 3.46Å; R175-T178 PolarHBondContact O-OG1 3.39Å; T178-N181 PolarHBondContact O-N 2.86Å; T178-K182 WeakPolarHBondContact O-CB 3.49Å; T178-K182 WeakPolarHBondContact O-CG 3.19Å; T178-K182 PolarHBondContact O-N 2.78Å
179F71.1Confident69.6Low53 Ų5375.4 Ų75.423%0.23236%0.361CS..Hα-helixtrans-64.4-44.1174.5-178.8-104.2000113.2R175 A176 V177 N181 K182 K183 L549R175-F179 VanDerWaalsContact O-CB 3.29Å; R175-F179 WeakPolarHBondContact O-CB 3.22Å; R175-F179 PolarHBondContact O-N 3.34Å; A176-F179 WeakPolarHBondContact O-CB 3.38Å; A176-F179 PolarHBondContact O-N 3.06Å; V177-F179 VanDerWaalsContact C-N 3.26Å; V177-F179 PolarHBondContact O-N 2.93Å; F179-N181 VanDerWaalsContact C-N 3.31Å; F179-N181 PolarHBondContact O-N 3.16Å; F179-K182 PolarHBondContact O-N 3.42Å; F179-K183 HydrophobicContact CD1-CD 4.27Å; F179-K183 HydrophobicContact CE1-CD 3.68Å; F179-K183 VanDerWaalsContact CE1-CE 3.45Å; F179-K183 HydrophobicContact CE1-CG 4.45Å; F179-K183 HydrophobicContact CZ-CD 3.88Å; F179-K183 HydrophobicContact CZ-CG 4.43Å; F179-K183 PolarHBondContact O-N 3.13Å; F179-L549 HydrophobicContact CD1-CD2 4.47Å; F179-L549 HydrophobicContact CE1-CD2 3.75Å; F179-L549 HydrophobicContact CZ-CD2 4.21Å
180I71.1Confident69Low21 Ų2178.2 Ų78.211%0.10838%0.378CS..Hα-helixtrans-58-47.3174-66.1161.9000110.4A176 V177 K182 K183 R184 K325 I328A176-I180 WeakPolarHBondContact O-CG1 3.47Å; A176-I180 PolarHBondContact O-N 3.04Å; V177-I180 PolarHBondContact O-N 3.22Å; I180-K182 PolarHBondContact O-N 3.23Å; I180-K183 PolarHBondContact O-N 3.47Å; I180-R184 WeakPolarHBondContact O-CB 3.23Å; I180-R184 PolarHBondContact O-N 2.92Å; I180-K325 HydrophobicContact CG2-CG 4.44Å; I180-I328 HydrophobicContact CD1-CB 3.8Å; I180-I328 HydrophobicContact CD1-CD1 3.82Å; I180-I328 HydrophobicContact CD1-CG1 4.38Å; I180-I328 HydrophobicContact CD1-CG2 3.28Å; I180-I328 HydrophobicContact CG1-CD1 3.63Å; I180-I328 HydrophobicContact CG1-CG2 4.28Å
181N73.7Confident68.2Low84 Ų8482.7 Ų82.745%0.44940%0.398SS..Hα-helixtrans-64.1-41.6-178.8-72-21.2000111.7V177 T178 F179 R184 Q185V177-N181 PolarHBondContact O-N 2.81Å; V177-N181 PolarHBondContact O-ND2 3.5Å; T178-N181 PolarHBondContact O-N 2.86Å; F179-N181 VanDerWaalsContact C-N 3.31Å; F179-N181 PolarHBondContact O-N 3.16Å; N181-R184 PolarHBondContact O-N 2.92Å; N181-Q185 VanDerWaalsContact O-CB 3.31Å; N181-Q185 WeakPolarHBondContact O-CB 3.25Å; N181-Q185 PolarHBondContact O-N 3.39Å
182K75.5Confident67.8Low134 Ų13480 Ų8058%0.58339%0.387SS*.Hα-helixtrans-61.6-45.5174.1-76.8-177.7177.4-1720112.2T178 F179 I180 R184 Q185 H186T178-K182 WeakPolarHBondContact O-CB 3.49Å; T178-K182 WeakPolarHBondContact O-CG 3.19Å; T178-K182 PolarHBondContact O-N 2.78Å; F179-K182 PolarHBondContact O-N 3.42Å; I180-K182 PolarHBondContact O-N 3.23Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 3.36Å; K182-Q185 PolarHBondContact O-N 3.21Å; K182-H186 WeakPolarHBondContact O-CB 3.39Å; K182-H186 PolarHBondContact O-CD2 2.84Å; K182-H186 PolarHBondContact O-N 3.02Å
183K70.7Confident67.4Low82 Ų8280.9 Ų80.936%0.35739%0.393SS..Hα-helixtrans-60.6-41.7176-83.3-173.2164.3179.10112.3F179 I180 Y187 F534F179-K183 HydrophobicContact CD1-CD 4.27Å; F179-K183 HydrophobicContact CE1-CD 3.68Å; F179-K183 VanDerWaalsContact CE1-CE 3.45Å; F179-K183 HydrophobicContact CE1-CG 4.45Å; F179-K183 HydrophobicContact CZ-CD 3.88Å; F179-K183 HydrophobicContact CZ-CG 4.43Å; F179-K183 PolarHBondContact O-N 3.13Å; I180-K183 PolarHBondContact O-N 3.47Å; K183-Y187 WeakPolarHBondContact O-CB 3.29Å; K183-Y187 PolarHBondContact O-N 2.93Å; K183-F534 VanDerWaalsContact NZ-CZ 3.35Å
184R69.1Low66.9Low131 Ų13181.4 Ų81.449%0.49440%0.401SS..Hα-helixtrans-64.9-42.9175.7-174.2-177.8176.8-172.2-1.5111.6I180 N181 K182 Y187 L188I180-R184 WeakPolarHBondContact O-CB 3.23Å; I180-R184 PolarHBondContact O-N 2.92Å; N181-R184 PolarHBondContact O-N 2.92Å; K182-R184 VanDerWaalsContact C-N 3.31Å; K182-R184 PolarHBondContact O-N 3.36Å; R184-Y187 WeakPolarHBondContact O-CB 3.43Å; R184-Y187 PolarHBondContact O-N 3.2Å; R184-L188 HydrophobicContact CG-CD1 3.89Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.22Å
185Q69.9Low66.6Low99 Ų9979.7 Ų79.746%0.46339%0.387SS..Hα-helixtrans-65.1-48.5178.4-175.6173.6600111N181 K182 Y187 L188 E189N181-Q185 VanDerWaalsContact O-CB 3.31Å; N181-Q185 WeakPolarHBondContact O-CB 3.25Å; N181-Q185 PolarHBondContact O-N 3.39Å; K182-Q185 PolarHBondContact O-N 3.21Å; Q185-Y187 PolarHBondContact O-N 2.8Å; Q185-Y187 VanDerWaalsContact O-N 3.17Å; Q185-L188 PolarHBondContact O-N 3Å; Q185-E189 HydrophobicContact CG-CG 3.93Å; Q185-E189 VanDerWaalsContact CG-OE1 3.31Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.36Å; Q185-E189 PolarHBondContact NE2-OE1 2.84Å; Q185-E189 WeakPolarHBondContact O-CB 3.41Å; Q185-E189 WeakPolarHBondContact O-CG 3.22Å; Q185-E189 PolarHBondContact O-N 2.88Å
186H69Low66.6Low119 Ų11974.7 Ų74.755%0.55137%0.369SS*.Hα-helixtrans-56.9-32.3171.8-81.2-67.7000112.5K182 N190K182-H186 WeakPolarHBondContact O-CB 3.39Å; K182-H186 PolarHBondContact O-CD2 2.84Å; K182-H186 PolarHBondContact O-N 3.02Å; H186-N190 WeakPolarHBondContact O-CB 3.46Å; H186-N190 PolarHBondContact O-N 2.93Å; H186-N190 VanDerWaalsContact O-N 3.13Å; H186-N190 PolarHBondContact O-ND2 3.37Å
187Y63.7Low66.7Low37 Ų3778.2 Ų78.215%0.14538%0.382CS..Hα-helixtrans-73.7-37.3175.9-171.1-89.5000112.9K183 R184 Q185 I314 K317 R318K183-Y187 WeakPolarHBondContact O-CB 3.29Å; K183-Y187 PolarHBondContact O-N 2.93Å; R184-Y187 WeakPolarHBondContact O-CB 3.43Å; R184-Y187 PolarHBondContact O-N 3.2Å; Q185-Y187 PolarHBondContact O-N 2.8Å; Q185-Y187 VanDerWaalsContact O-N 3.17Å; Y187-I314 HydrophobicContact CE2-CG2 4.36Å; Y187-I314 VanDerWaalsContact OH-CG2 3.24Å; Y187-I314 WeakPolarHBondContact OH-CG2 3.4Å; Y187-I314 PolarHBondContact OH-O 3.17Å; Y187-K317 HydrophobicContact CE2-CB 4.26Å; Y187-R318 HydrophobicContact CE1-CB 4.35Å; Y187-R318 HydrophobicContact CE1-CG 3.8Å; Y187-R318 WeakPolarHBondContact OH-CB 3.25Å; Y187-R318 WeakPolarHBondContact OH-CG 3.43Å
188L62.3Low66.6Low97 Ų9780.3 Ų80.351%0.50839%0.387SS..Hα-helixtrans-75.8-41.7178.2-75.5161.1000113.1R184 Q185 V193R184-L188 HydrophobicContact CG-CD1 3.89Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.22Å; Q185-L188 PolarHBondContact O-N 3Å; L188-V193 HydrophobicContact CD2-CG2 4.26Å
189E60.5Low66.4Low123 Ų12377.7 Ų77.758%0.57537%0.37SS*.Hα-helixtrans-80.2-33.2-177.4-73.1179.8168.300112.7Q185 E191Q185-E189 HydrophobicContact CG-CG 3.93Å; Q185-E189 VanDerWaalsContact CG-OE1 3.31Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.36Å; Q185-E189 PolarHBondContact NE2-OE1 2.84Å; Q185-E189 WeakPolarHBondContact O-CB 3.41Å; Q185-E189 WeakPolarHBondContact O-CG 3.22Å; Q185-E189 PolarHBondContact O-N 2.88Å; E189-E191 PolarHBondContact O-N 3.03Å
190N55.6Low66.5Low88 Ų8880.2 Ų80.247%0.47138%0.383SS..SBendtrans-56.6126.2163.2-80-38.8000105.6H186 N192H186-N190 WeakPolarHBondContact O-CB 3.46Å; H186-N190 PolarHBondContact O-N 2.93Å; H186-N190 VanDerWaalsContact O-N 3.13Å; H186-N190 PolarHBondContact O-ND2 3.37Å; N190-N192 HydrophobicContact CB-CB 4.31Å; N190-N192 VanDerWaalsContact CB-ND2 3.32Å; N190-N192 WeakPolarHBondContact CB-ND2 3.48Å; N190-N192 WeakPolarHBondContact O-CA 3.01Å; N190-N192 WeakPolarHBondContact O-CB 3.46Å; N190-N192 PolarHBondContact O-N 2.84Å
191E53.8Low66.7Low137 Ų13787.6 Ų87.664%0.6441%0.409SS*.THydrogen-bonded Turntrans-43.9-17.3-178.5-149.2176.6163.300113.1E189 V193 L194 A195E189-E191 PolarHBondContact O-N 3.03Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 2.77Å; E191-V193 VanDerWaalsContact O-N 3.08Å; E191-L194 CarbonylContact O-C 3.54Å; E191-L194 PolarHBondContact O-N 2.96Å; E191-L194 VanDerWaalsContact O-N 3.12Å; E191-A195 WeakPolarHBondContact O-CA 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 2.81Å
192N61.2Low66.7Low45 Ų4588.1 Ų88.124%0.24141%0.409CS..Hα-helixtrans-25.2-49.1166-62.5-17000117.4N190 L196 I314N190-N192 HydrophobicContact CB-CB 4.31Å; N190-N192 VanDerWaalsContact CB-ND2 3.32Å; N190-N192 WeakPolarHBondContact CB-ND2 3.48Å; N190-N192 WeakPolarHBondContact O-CA 3.01Å; N190-N192 WeakPolarHBondContact O-CB 3.46Å; N190-N192 PolarHBondContact O-N 2.84Å; N192-L196 WeakPolarHBondContact O-CA 3.45Å; N192-L196 WeakPolarHBondContact O-CB 3.39Å; N192-L196 WeakPolarHBondContact O-CD1 3.28Å; N192-L196 WeakPolarHBondContact O-CG 3.48Å; N192-L196 PolarHBondContact O-N 2.87Å; N192-I314 HydrophobicContact CB-CG2 4.26Å
193V61.2Low66.5Low51 Ų5185.1 Ų85.131%0.30940%0.397SS..Hα-helixtrans-73.2-49.4-178.7179.30000111.1L188 E191 A195 L196 E197L188-V193 HydrophobicContact CD2-CG2 4.26Å; E191-V193 VanDerWaalsContact C-N 3.33Å; E191-V193 PolarHBondContact O-N 2.77Å; E191-V193 VanDerWaalsContact O-N 3.08Å; V193-A195 VanDerWaalsContact C-N 3.26Å; V193-A195 PolarHBondContact O-N 3.33Å; V193-L196 WeakPolarHBondContact O-CB 3.19Å; V193-L196 PolarHBondContact O-N 3.26Å; V193-E197 PolarHBondContact O-N 3.14Å
194L60.2Low66.6Low92 Ų9284.4 Ų84.448%0.48241%0.406SS..Hα-helixtrans-64.6-35.6175-176.466.1000111.3E191 K198E191-L194 CarbonylContact O-C 3.54Å; E191-L194 PolarHBondContact O-N 2.96Å; E191-L194 VanDerWaalsContact O-N 3.12Å; L194-K198 HydrophobicContact CG-CD 4.2Å; L194-K198 VanDerWaalsContact O-CB 3.31Å; L194-K198 WeakPolarHBondContact O-CB 3.11Å; L194-K198 WeakPolarHBondContact O-CG 3.08Å; L194-K198 PolarHBondContact O-N 2.67Å
195A66.2Low66.8Low19 Ų1981.3 Ų81.316%0.15741%0.409CS..Hα-helixtrans-67.6-43.917500000109.8E191 V193 E197 K198 L199E191-A195 WeakPolarHBondContact O-CA 3.37Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 2.81Å; V193-A195 VanDerWaalsContact C-N 3.26Å; V193-A195 PolarHBondContact O-N 3.33Å; A195-E197 PolarHBondContact O-N 2.97Å; A195-K198 CarbonylContact O-C 3.18Å; A195-K198 PolarHBondContact O-N 2.72Å; A195-L199 VanDerWaalsContact C-CD1 3.48Å; A195-L199 HydrophobicContact CB-CD1 3.84Å; A195-L199 WeakPolarHBondContact O-CB 3.26Å; A195-L199 WeakPolarHBondContact O-CD1 3.23Å; A195-L199 PolarHBondContact O-N 3.09Å
196L67.3Low66.8Low12 Ų1280.6 Ų80.66%0.06340%0.403CS..Hα-helixtrans-56.1-53.4174.1-84.7167.4000109.9N192 V193 K198 L199 E200 L311 I314N192-L196 WeakPolarHBondContact O-CA 3.45Å; N192-L196 WeakPolarHBondContact O-CB 3.39Å; N192-L196 WeakPolarHBondContact O-CD1 3.28Å; N192-L196 WeakPolarHBondContact O-CG 3.48Å; N192-L196 PolarHBondContact O-N 2.87Å; V193-L196 WeakPolarHBondContact O-CB 3.19Å; V193-L196 PolarHBondContact O-N 3.26Å; L196-K198 VanDerWaalsContact C-N 3.31Å; L196-K198 PolarHBondContact O-N 3.28Å; L196-L199 PolarHBondContact O-N 3.3Å; L196-E200 WeakPolarHBondContact O-CB 3.33Å; L196-E200 VanDerWaalsContact O-CG 3.28Å; L196-E200 WeakPolarHBondContact O-CG 3.27Å; L196-E200 PolarHBondContact O-N 3.44Å; L196-L311 HydrophobicContact CD2-CD2 3.48Å; L196-L311 VanDerWaalsContact CD2-CD2 3.48Å; L196-L311 HydrophobicContact CG-CD2 4.49Å; L196-I314 HydrophobicContact CD1-CG2 3.59Å; L196-I314 HydrophobicContact CD2-CB 3.89Å; L196-I314 HydrophobicContact CD2-CD1 4.43Å; L196-I314 HydrophobicContact CD2-CG2 3.69Å; L196-I314 HydrophobicContact CG-CB 4.34Å; L196-I314 HydrophobicContact CG-CG2 3.65Å
197E70.5Confident66.8Low92 Ų9278.3 Ų78.343%0.4340%0.4SS..Hα-helixtrans-60.7-40179.1-70.1-175.6178.100112.2V193 A195 R201V193-E197 PolarHBondContact O-N 3.14Å; A195-E197 PolarHBondContact O-N 2.97Å; E197-R201 WeakPolarHBondContact O-CB 3.38Å; E197-R201 VanDerWaalsContact O-CG 3.23Å; E197-R201 WeakPolarHBondContact O-CG 3.44Å; E197-R201 PolarHBondContact O-N 2.72Å
198K71.9Confident67.2Low94 Ų9480.7 Ų80.741%0.40942%0.42SS..Hα-helixtrans-65.8-47.6175.1-76.4172.3179.4176.80111.9L194 A195 L196 E200 R201 E202L194-K198 HydrophobicContact CG-CD 4.2Å; L194-K198 VanDerWaalsContact O-CB 3.31Å; L194-K198 WeakPolarHBondContact O-CB 3.11Å; L194-K198 WeakPolarHBondContact O-CG 3.08Å; L194-K198 PolarHBondContact O-N 2.67Å; A195-K198 CarbonylContact O-C 3.18Å; A195-K198 PolarHBondContact O-N 2.72Å; L196-K198 VanDerWaalsContact C-N 3.31Å; L196-K198 PolarHBondContact O-N 3.28Å; K198-E200 VanDerWaalsContact C-N 3.33Å; K198-E200 PolarHBondContact O-N 3.42Å; K198-R201 PolarHBondContact O-N 2.82Å; K198-E202 WeakPolarHBondContact O-CB 3.33Å; K198-E202 WeakPolarHBondContact O-CG 3.49Å; K198-E202 PolarHBondContact O-N 3.42Å
199L70.3Confident67.6Low22 Ų2280.1 Ų80.112%0.11542%0.417CS..Hα-helixtrans-63.1-39.6178.9-89.898.5000110.5A195 L196 E202 Q203 L307 K310 L311A195-L199 VanDerWaalsContact C-CD1 3.48Å; A195-L199 HydrophobicContact CB-CD1 3.84Å; A195-L199 WeakPolarHBondContact O-CB 3.26Å; A195-L199 WeakPolarHBondContact O-CD1 3.23Å; A195-L199 PolarHBondContact O-N 3.09Å; L196-L199 PolarHBondContact O-N 3.3Å; L199-E202 PolarHBondContact O-N 3.25Å; L199-Q203 VanDerWaalsContact O-CB 3.27Å; L199-Q203 WeakPolarHBondContact O-CB 3.25Å; L199-Q203 PolarHBondContact O-N 3.06Å; L199-L307 HydrophobicContact CB-CD1 4.15Å; L199-L307 HydrophobicContact CB-CG 4.2Å; L199-L307 HydrophobicContact CD2-CD1 3.39Å; L199-L307 HydrophobicContact CD2-CG 3.71Å; L199-L307 HydrophobicContact CG-CD1 3.42Å; L199-L307 VanDerWaalsContact CG-CD1 3.42Å; L199-L307 HydrophobicContact CG-CG 3.94Å; L199-L307 WeakPolarHBondContact O-CD2 3.49Å; L199-K310 HydrophobicContact CD2-CB 3.85Å; L199-L311 HydrophobicContact CB-CD1 4.09Å; L199-L311 HydrophobicContact CB-CD2 3.37Å; L199-L311 HydrophobicContact CB-CG 3.75Å; L199-L311 HydrophobicContact CD2-CD2 4.03Å; L199-L311 HydrophobicContact CD2-CG 3.85Å; L199-L311 HydrophobicContact CG-CD2 4.27Å; L199-L311 HydrophobicContact CG-CG 4.46Å
200E72.8Confident68.1Low106 Ų10678.2 Ų78.250%0.49541%0.407SS..Hα-helixtrans-65.3-43.7175.6-77177.4169.900111.3L196 K198 Q203 A204 L311L196-E200 WeakPolarHBondContact O-CB 3.33Å; L196-E200 VanDerWaalsContact O-CG 3.28Å; L196-E200 WeakPolarHBondContact O-CG 3.27Å; L196-E200 PolarHBondContact O-N 3.44Å; K198-E200 VanDerWaalsContact C-N 3.33Å; K198-E200 PolarHBondContact O-N 3.42Å; E200-Q203 PolarHBondContact O-N 3.29Å; E200-A204 WeakPolarHBondContact O-CB 3.44Å; E200-A204 PolarHBondContact O-N 2.79Å; E200-L311 HydrophobicContact CG-CD1 4.19Å; E200-L311 HydrophobicContact CG-CD2 4.03Å
201R75.8Confident68.9Low176 Ų17678.7 Ų78.766%0.66441%0.406SS*.Hα-helixtrans-63.5-43.4174.4-73.3174.4-167.8-178.68.3112.1E197 K198 A204 A205E197-R201 WeakPolarHBondContact O-CB 3.38Å; E197-R201 VanDerWaalsContact O-CG 3.23Å; E197-R201 WeakPolarHBondContact O-CG 3.44Å; E197-R201 PolarHBondContact O-N 2.72Å; K198-R201 PolarHBondContact O-N 2.82Å; R201-A204 PolarHBondContact O-N 2.86Å; R201-A205 WeakPolarHBondContact O-CB 3.46Å; R201-A205 PolarHBondContact O-N 3.2Å
202E73Confident69.9Low94 Ų9477.6 Ų77.644%0.43940%0.404SS..Hα-helixtrans-62.4-46.8175.3-78176.1-170.200110.8K198 L199 A204 A205 Y206 L307K198-E202 WeakPolarHBondContact O-CB 3.33Å; K198-E202 WeakPolarHBondContact O-CG 3.49Å; K198-E202 PolarHBondContact O-N 3.42Å; L199-E202 PolarHBondContact O-N 3.25Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 2.75Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.04Å; E202-A205 VanDerWaalsContact O-N 3.11Å; E202-Y206 HydrophobicContact CB-CD2 4.42Å; E202-Y206 HydrophobicContact CB-CE2 4.24Å; E202-Y206 WeakPolarHBondContact O-CD2 3.43Å; E202-Y206 PolarHBondContact O-N 2.77Å; E202-L307 HydrophobicContact CB-CD2 3.72Å
203Q71.8Confident70.3Confident72 Ų7276.6 Ų76.634%0.33640%0.4SS..Hα-helixtrans-58.7-43.3175.9-172-176.71500111.5L199 E200 A205 Y206 S207 L304 L307 L311L199-Q203 VanDerWaalsContact O-CB 3.27Å; L199-Q203 WeakPolarHBondContact O-CB 3.25Å; L199-Q203 PolarHBondContact O-N 3.06Å; E200-Q203 PolarHBondContact O-N 3.29Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.29Å; Q203-Y206 PolarHBondContact O-N 3.47Å; Q203-S207 PolarHBondContact O-N 3.31Å; Q203-L304 HydrophobicContact CB-CD1 4.34Å; Q203-L304 HydrophobicContact CG-CD1 3.87Å; Q203-L307 HydrophobicContact CB-CD2 4.15Å; Q203-L311 HydrophobicContact CB-CD1 4.39Å
204A73.5Confident70.7Confident66 Ų6675.9 Ų75.955%0.54540%0.398SS..Hα-helixtrans-63-39.3175.600000112E200 R201 E202 Y206 S207 P208E200-A204 WeakPolarHBondContact O-CB 3.44Å; E200-A204 PolarHBondContact O-N 2.79Å; R201-A204 PolarHBondContact O-N 2.86Å; E202-A204 VanDerWaalsContact C-N 3.31Å; E202-A204 PolarHBondContact O-N 2.75Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; A204-S207 PolarHBondContact O-N 3.41Å; A204-P208 VanDerWaalsContact O-CD 3.3Å; A204-P208 WeakPolarHBondContact O-CD 3.15Å
205A71.9Confident71.6Confident67 Ų6774.3 Ų74.355%0.55439%0.39SS*.Hα-helixtrans-67.2-33.5176.100000112.8R201 E202 Q203R201-A205 WeakPolarHBondContact O-CB 3.46Å; R201-A205 PolarHBondContact O-N 3.2Å; E202-A205 WeakPolarHBondContact O-CB 3.35Å; E202-A205 PolarHBondContact O-N 3.04Å; E202-A205 VanDerWaalsContact O-N 3.11Å; Q203-A205 VanDerWaalsContact C-N 3.34Å; Q203-A205 PolarHBondContact O-N 3.29Å
206Y69.6Low72.2Confident84 Ų8475.7 Ų75.733%0.32940%0.396SS..Hα-helixtrans-85.3-14.7177.8-69.9-60.1000114.2E202 Q203 A204 L209 F210 L300 L304E202-Y206 HydrophobicContact CB-CD2 4.42Å; E202-Y206 HydrophobicContact CB-CE2 4.24Å; E202-Y206 WeakPolarHBondContact O-CD2 3.43Å; E202-Y206 PolarHBondContact O-N 2.77Å; Q203-Y206 PolarHBondContact O-N 3.47Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-L209 VanDerWaalsContact O-CB 3.31Å; Y206-L209 WeakPolarHBondContact O-CB 3.29Å; Y206-L209 PolarHBondContact O-N 2.74Å; Y206-L209 VanDerWaalsContact O-N 3.12Å; Y206-F210 PolarHBondContact O-N 3.39Å; Y206-L300 HydrophobicContact CD1-CD2 4.28Å; Y206-L300 HydrophobicContact CE1-CD2 3.71Å; Y206-L304 HydrophobicContact CD2-CD1 4.38Å; Y206-L304 HydrophobicContact CG-CD1 4.4Å
207S70.2Confident72.3Confident70 Ų7078 Ų7849%0.4941%0.413SS..Hα-helixtrans-60.2-44-178.2176.50000113.8Q203 A204 L209 F210 Q211Q203-S207 PolarHBondContact O-N 3.31Å; A204-S207 PolarHBondContact O-N 3.41Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 3.22Å; S207-F210 WeakPolarHBondContact O-CB 3.46Å; S207-F210 PolarHBondContact O-N 3.47Å; S207-Q211 PolarHBondContact O-N 2.85Å; S207-Q211 VanDerWaalsContact O-N 3.14Å
208P71.3Confident72.6Confident87 Ų8779 Ų7957%0.56542%0.415SS*.Hα-helixtrans-63.1-35.2173.1-22.433.3000112.9A204 F210 Q211 L212A204-P208 VanDerWaalsContact O-CD 3.3Å; A204-P208 WeakPolarHBondContact O-CD 3.15Å; P208-F210 VanDerWaalsContact C-N 3.31Å; P208-F210 PolarHBondContact O-N 2.95Å; P208-Q211 PolarHBondContact O-N 3.37Å; P208-L212 PolarHBondContact O-N 3.04Å
209L72.1Confident72.9Confident85 Ų8579 Ų7945%0.44542%0.42SS..Hα-helixtrans-64.4-37175-102.1110.1000112Y206 S207 L212 C213 L300Y206-L209 VanDerWaalsContact O-CB 3.31Å; Y206-L209 WeakPolarHBondContact O-CB 3.29Å; Y206-L209 PolarHBondContact O-N 2.74Å; Y206-L209 VanDerWaalsContact O-N 3.12Å; S207-L209 VanDerWaalsContact C-N 3.29Å; S207-L209 PolarHBondContact O-N 3.22Å; L209-L212 PolarHBondContact O-N 3.07Å; L209-C213 WeakPolarHBondContact O-CB 3.38Å; L209-C213 PolarHBondContact O-N 2.85Å; L209-L300 HydrophobicContact CD2-CD1 3.8Å
210F69.9Low73.3Confident84 Ų8483.2 Ų83.237%0.36844%0.439SS..Hα-helixtrans-63.1-44.7173.8177-89.3000111.6Y206 S207 P208 L212 C213 S214 Y301 L304Y206-F210 PolarHBondContact O-N 3.39Å; S207-F210 WeakPolarHBondContact O-CB 3.46Å; S207-F210 PolarHBondContact O-N 3.47Å; P208-F210 VanDerWaalsContact C-N 3.31Å; P208-F210 PolarHBondContact O-N 2.95Å; F210-L212 VanDerWaalsContact C-N 3.35Å; F210-L212 PolarHBondContact O-N 2.88Å; F210-C213 WeakPolarHBondContact O-CB 3.12Å; F210-C213 PolarHBondContact O-N 3.45Å; F210-S214 PolarHBondContact O-N 2.84Å; F210-Y301 HydrophobicContact CD2-CD2 4.19Å; F210-Y301 HydrophobicContact CD2-CE2 4.3Å; F210-Y301 HydrophobicContact CE2-CD2 4.06Å; F210-Y301 AromaticContact CE2-CE2 3.71Å; F210-Y301 HydrophobicContact CE2-CE2 3.71Å; F210-L304 HydrophobicContact CB-CD2 4.02Å; F210-L304 HydrophobicContact CD2-CD2 4.14Å; F210-L304 HydrophobicContact CG-CD2 4.43Å
211Q73Confident73.3Confident98 Ų9884.4 Ų84.446%0.45844%0.444SS..Hα-helixtrans-60.6-47.4176.9-171.960.134.800110.8S207 P208 C213 S214 D215S207-Q211 PolarHBondContact O-N 2.85Å; S207-Q211 VanDerWaalsContact O-N 3.14Å; P208-Q211 PolarHBondContact O-N 3.37Å; Q211-C213 VanDerWaalsContact C-N 3.33Å; Q211-C213 PolarHBondContact O-N 2.99Å; Q211-S214 PolarHBondContact O-N 3.34Å; Q211-D215 PolarHBondContact NE2-OD1 3.12Å; Q211-D215 PolarHBondContact NE2-OD2 3.06Å; Q211-D215 PolarHBondContact O-N 2.65Å
212L73.5Confident73.5Confident114 Ų11483 Ų8360%0.59744%0.439SS*.Hα-helixtrans-59.4-43176.4-174.465.7000112.1P208 L209 F210 D215 V216P208-L212 PolarHBondContact O-N 3.04Å; L209-L212 PolarHBondContact O-N 3.07Å; F210-L212 VanDerWaalsContact C-N 3.35Å; F210-L212 PolarHBondContact O-N 2.88Å; L212-D215 PolarHBondContact O-N 3.16Å; L212-V216 WeakPolarHBondContact O-CB 3.24Å; L212-V216 VanDerWaalsContact O-CG2 3.25Å; L212-V216 WeakPolarHBondContact O-CG2 3.44Å; L212-V216 PolarHBondContact O-N 3.31Å
213C70.9Confident73.9Confident23 Ų2382.8 Ų82.816%0.15544%0.44CS..Hα-helixtrans-61.6-44.9175.71760000112.1L209 F210 Q211 D215 V216 C217 I297L209-C213 WeakPolarHBondContact O-CB 3.38Å; L209-C213 PolarHBondContact O-N 2.85Å; F210-C213 WeakPolarHBondContact O-CB 3.12Å; F210-C213 PolarHBondContact O-N 3.45Å; Q211-C213 VanDerWaalsContact C-N 3.33Å; Q211-C213 PolarHBondContact O-N 2.99Å; C213-D215 VanDerWaalsContact C-N 3.31Å; C213-D215 PolarHBondContact O-N 2.87Å; C213-V216 PolarHBondContact O-N 2.73Å; C213-C217 PolarHBondContact O-N 3Å; C213-I297 HydrophobicContact CB-CG2 3.88Å; C213-I297 WeakPolarHBondContact SG-CG2 3.44Å
214S70.3Confident74.1Confident36 Ų3681.1 Ų81.125%0.25244%0.439SS..Hα-helixtrans-61.5-42.5177.3-174.90000111.2F210 Q211 C217 K218F210-S214 PolarHBondContact O-N 2.84Å; Q211-S214 PolarHBondContact O-N 3.34Å; S214-C217 PolarHBondContact O-N 3.41Å; S214-K218 WeakPolarHBondContact O-CG 3.2Å; S214-K218 PolarHBondContact O-N 3.37Å
215D78.9Confident74.4Confident60 Ų6082.6 Ų82.632%0.32144%0.437SS..Hα-helixtrans-67.8-39.5179.1-64.5-23.6000111.3Q211 L212 C213 K218 L219Q211-D215 PolarHBondContact NE2-OD1 3.12Å; Q211-D215 PolarHBondContact NE2-OD2 3.06Å; Q211-D215 PolarHBondContact O-N 2.65Å; L212-D215 PolarHBondContact O-N 3.16Å; C213-D215 VanDerWaalsContact C-N 3.31Å; C213-D215 PolarHBondContact O-N 2.87Å; D215-K218 PolarHBondContact O-N 3.03Å; D215-L219 WeakPolarHBondContact O-CB 3.42Å; D215-L219 VanDerWaalsContact O-CG 3.23Å; D215-L219 WeakPolarHBondContact O-CG 3.47Å; D215-L219 PolarHBondContact O-N 2.89Å
216V77Confident75Confident48 Ų4884.3 Ų84.329%0.29143%0.434SS..Hα-helixtrans-61.3-45.3172.8169.40000111.3L212 C213 L219 Q220L212-V216 WeakPolarHBondContact O-CB 3.24Å; L212-V216 VanDerWaalsContact O-CG2 3.25Å; L212-V216 WeakPolarHBondContact O-CG2 3.44Å; L212-V216 PolarHBondContact O-N 3.31Å; C213-V216 PolarHBondContact O-N 2.73Å; V216-L219 PolarHBondContact O-N 2.8Å; V216-Q220 HydrophobicContact CG1-CG 4.46Å; V216-Q220 WeakPolarHBondContact O-CG 3.41Å; V216-Q220 PolarHBondContact O-N 2.6Å
217C69.9Low75.6Confident61 Ų6186.1 Ų86.141%0.41245%0.445SS..Hα-helixtrans-61.1-46.1176.8-77.20000112.1C213 S214 L219 Q220 E221C213-C217 PolarHBondContact O-N 3Å; S214-C217 PolarHBondContact O-N 3.41Å; C217-L219 VanDerWaalsContact C-N 3.31Å; C217-L219 PolarHBondContact O-N 2.81Å; C217-Q220 PolarHBondContact O-N 2.91Å; C217-E221 PolarHBondContact O-N 3.12Å
218K76.9Confident76.1Confident111 Ų11188.6 Ų88.648%0.48345%0.447SS..Hα-helixtrans-62.1-38.9177-71.1171-173.1163.30112.3S214 D215 R222S214-K218 WeakPolarHBondContact O-CG 3.2Å; S214-K218 PolarHBondContact O-N 3.37Å; D215-K218 PolarHBondContact O-N 3.03Å; K218-R222 WeakPolarHBondContact O-CG 3.29Å; K218-R222 PolarHBondContact O-N 3.44Å
219L78.4Confident76.8Confident96 Ų9688.9 Ų88.950%0.50344%0.444SS..Hα-helixtrans-67.2-38.6176.2-73.4170.7000111.4D215 V216 C217 R222 I223D215-L219 WeakPolarHBondContact O-CB 3.42Å; D215-L219 VanDerWaalsContact O-CG 3.23Å; D215-L219 WeakPolarHBondContact O-CG 3.47Å; D215-L219 PolarHBondContact O-N 2.89Å; V216-L219 PolarHBondContact O-N 2.8Å; C217-L219 VanDerWaalsContact C-N 3.31Å; C217-L219 PolarHBondContact O-N 2.81Å; L219-R222 PolarHBondContact O-N 2.87Å; L219-I223 VanDerWaalsContact O-CG1 3.23Å; L219-I223 WeakPolarHBondContact O-CG1 3.06Å; L219-I223 PolarHBondContact O-N 2.99Å
220Q78Confident77.4Confident109 Ų10988.5 Ų88.551%0.50944%0.444SS..Hα-helixtrans-64.9-41.8175.1-75.8177.9-29.800112.4V216 C217 I223 A224V216-Q220 HydrophobicContact CG1-CG 4.46Å; V216-Q220 WeakPolarHBondContact O-CG 3.41Å; V216-Q220 PolarHBondContact O-N 2.6Å; C217-Q220 PolarHBondContact O-N 2.91Å; Q220-I223 PolarHBondContact O-N 3.21Å; Q220-A224 PolarHBondContact O-N 2.94Å
221E74.2Confident78Confident131 Ų13189.2 Ų89.261%0.61245%0.452SS*.Hα-helixtrans-61.2-44.9173.4-73.4178.4168.800111.3C217 I223 A224 D225C217-E221 PolarHBondContact O-N 3.12Å; E221-I223 PolarHBondContact O-N 3.49Å; E221-A224 PolarHBondContact O-N 3.45Å; E221-D225 PolarHBondContact O-N 3.29Å
222R79.5Confident78.6Confident148 Ų14889.9 Ų89.956%0.55846%0.455SS*.Hα-helixtrans-62-42176-78.7-17761.6-176.4-3.7113K218 L219 A224 D225 E226K218-R222 WeakPolarHBondContact O-CG 3.29Å; K218-R222 PolarHBondContact O-N 3.44Å; L219-R222 PolarHBondContact O-N 2.87Å; R222-A224 VanDerWaalsContact C-N 3.32Å; R222-D225 PolarHBondContact O-N 2.8Å; R222-E226 IonicContact NH2-OE1 3.47Å; R222-E226 WeakPolarHBondContact O-CB 3.48Å; R222-E226 WeakPolarHBondContact O-CG 3.27Å; R222-E226 PolarHBondContact O-N 3.06Å
223I81.3Confident79.3Confident88 Ų8888.3 Ų88.345%0.45145%0.447SS..Hα-helixtrans-61-45.4175.7-71.5164.3000109.5L219 Q220 E221 D225 E226 E227L219-I223 VanDerWaalsContact O-CG1 3.23Å; L219-I223 WeakPolarHBondContact O-CG1 3.06Å; L219-I223 PolarHBondContact O-N 2.99Å; Q220-I223 PolarHBondContact O-N 3.21Å; E221-I223 PolarHBondContact O-N 3.49Å; I223-D225 VanDerWaalsContact C-N 3.31Å; I223-D225 PolarHBondContact O-N 3.13Å; I223-E226 PolarHBondContact O-N 2.86Å; I223-E227 HydrophobicContact CG2-CG 4.29Å; I223-E227 WeakPolarHBondContact O-CB 3.4Å; I223-E227 VanDerWaalsContact O-CG 3.31Å; I223-E227 WeakPolarHBondContact O-CG 3.18Å; I223-E227 PolarHBondContact O-N 3.26Å
224A76.2Confident80Confident38 Ų3891.1 Ų91.131%0.31446%0.461SS..Hα-helixtrans-63.4-35.1178.400000112.9Q220 E221 R222 K228Q220-A224 PolarHBondContact O-N 2.94Å; E221-A224 PolarHBondContact O-N 3.45Å; R222-A224 VanDerWaalsContact C-N 3.32Å; A224-K228 WeakPolarHBondContact O-CG 3.41Å; A224-K228 PolarHBondContact O-N 3.04Å
225D79.4Confident80.7Confident97 Ų9796 Ų9652%0.51948%0.477SS..Hα-helixtrans-74.3-38.9175.3-72.6-20.6000112.4E221 R222 I223 K228 L229E221-D225 PolarHBondContact O-N 3.29Å; R222-D225 PolarHBondContact O-N 2.8Å; I223-D225 VanDerWaalsContact C-N 3.31Å; I223-D225 PolarHBondContact O-N 3.13Å; D225-K228 PolarHBondContact O-N 3.11Å; D225-K228 IonicContact OD1-NZ 3.64Å; D225-L229 PolarHBondContact O-N 2.99Å
226E83.6Confident81.2Confident103 Ų10398.2 Ų98.248%0.48149%0.486SS..Hα-helixtrans-65.5-40.1173.7-76.8179-167.500111.4R222 I223 L229 V230R222-E226 IonicContact NH2-OE1 3.47Å; R222-E226 WeakPolarHBondContact O-CB 3.48Å; R222-E226 WeakPolarHBondContact O-CG 3.27Å; R222-E226 PolarHBondContact O-N 3.06Å; I223-E226 PolarHBondContact O-N 2.86Å; E226-L229 WeakPolarHBondContact O-CB 3.32Å; E226-L229 PolarHBondContact O-N 2.88Å; E226-L229 VanDerWaalsContact O-N 3.16Å; E226-V230 WeakPolarHBondContact O-CG2 3.34Å; E226-V230 PolarHBondContact O-N 2.72Å
227E82.8Confident81.8Confident121 Ų12199.3 Ų99.357%0.56549%0.489SS*.Hα-helixtrans-60.4-44.9174-77.2177.6165.600111.5I223 L229 V230 D231I223-E227 HydrophobicContact CG2-CG 4.29Å; I223-E227 WeakPolarHBondContact O-CB 3.4Å; I223-E227 VanDerWaalsContact O-CG 3.31Å; I223-E227 WeakPolarHBondContact O-CG 3.18Å; I223-E227 PolarHBondContact O-N 3.26Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.02Å; E227-V230 PolarHBondContact O-N 2.81Å; E227-D231 PolarHBondContact O-N 2.96Å
228K80.9Confident82.5Confident123 Ų123100.5 Ų100.554%0.53549%0.492SS..Hα-helixtrans-61.1-37.5173.6-74172-168.6159.80112.6A224 D225 Q232A224-K228 WeakPolarHBondContact O-CG 3.41Å; A224-K228 PolarHBondContact O-N 3.04Å; D225-K228 PolarHBondContact O-N 3.11Å; D225-K228 IonicContact OD1-NZ 3.64Å; K228-Q232 WeakPolarHBondContact O-CG 3.3Å; K228-Q232 PolarHBondContact O-N 3.08Å; K228-Q232 VanDerWaalsContact O-N 3.09Å
229L85.3Confident83Confident93 Ų93101.7 Ų101.749%0.48750%0.499SS..Hα-helixtrans-69.6-40.5178.4-174.767.8000111.3D225 E226 E227 D231 Q232 L233D225-L229 PolarHBondContact O-N 2.99Å; E226-L229 WeakPolarHBondContact O-CB 3.32Å; E226-L229 PolarHBondContact O-N 2.88Å; E226-L229 VanDerWaalsContact O-N 3.16Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.02Å; L229-D231 VanDerWaalsContact C-N 3.35Å; L229-Q232 WeakPolarHBondContact O-CB 3.24Å; L229-Q232 PolarHBondContact O-N 3.23Å; L229-L233 HydrophobicContact CG-CD1 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.27Å; L229-L233 PolarHBondContact O-N 2.89Å
230V85.8Confident83.4Confident76 Ų76102.3 Ų102.346%0.46150%0.502SS..Hα-helixtrans-60.4-46.2173.41710000110.3E226 E227 Q232 L233 D234E226-V230 WeakPolarHBondContact O-CG2 3.34Å; E226-V230 PolarHBondContact O-N 2.72Å; E227-V230 PolarHBondContact O-N 2.81Å; V230-Q232 PolarHBondContact O-N 2.82Å; V230-L233 PolarHBondContact O-N 3.4Å; V230-D234 WeakPolarHBondContact O-CB 3.4Å; V230-D234 PolarHBondContact O-N 2.83Å
231D82.6Confident83.9Confident100 Ų100104.4 Ų104.454%0.53551%0.505SS..Hα-helixtrans-59.9-33.2176.2-78.4-15.9000113E227 L229 K235E227-D231 PolarHBondContact O-N 2.96Å; L229-D231 VanDerWaalsContact C-N 3.35Å; D231-K235 WeakPolarHBondContact O-CG 3.41Å; D231-K235 PolarHBondContact O-N 3.17Å
232Q84.7Confident84.4Confident112 Ų112102.1 Ų102.152%0.52350%0.497SS..Hα-helixtrans-71.6-47.8174.7-74.91721.600111.7K228 L229 V230 D234 K235 E236K228-Q232 WeakPolarHBondContact O-CG 3.3Å; K228-Q232 PolarHBondContact O-N 3.08Å; K228-Q232 VanDerWaalsContact O-N 3.09Å; L229-Q232 WeakPolarHBondContact O-CB 3.24Å; L229-Q232 PolarHBondContact O-N 3.23Å; V230-Q232 PolarHBondContact O-N 2.82Å; Q232-D234 VanDerWaalsContact C-N 3.32Å; Q232-D234 PolarHBondContact O-N 3.3Å; Q232-K235 WeakPolarHBondContact O-CB 3.31Å; Q232-K235 PolarHBondContact O-N 3.49Å; Q232-K235 VanDerWaalsContact O-N 3.14Å; Q232-E236 PolarHBondContact O-N 2.98Å
233L87.7Confident84.6Confident81 Ų8198 Ų9842%0.42449%0.492SS..Hα-helixtrans-63.5-38.1178.3-71.7171.6000111.9L229 V230 K235 E236 I237L229-L233 HydrophobicContact CG-CD1 4.35Å; L229-L233 WeakPolarHBondContact O-CG 3.27Å; L229-L233 PolarHBondContact O-N 2.89Å; V230-L233 PolarHBondContact O-N 3.4Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 2.79Å; L233-E236 PolarHBondContact O-N 3.32Å; L233-I237 WeakPolarHBondContact O-CB 3.32Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 2.82Å
234D86.5Confident84.9Confident82 Ų8298.2 Ų98.244%0.43949%0.493SS..Hα-helixtrans-64.2-34.4175.4-84.3-24.8000111.8V230 Q232 N238V230-D234 WeakPolarHBondContact O-CB 3.4Å; V230-D234 PolarHBondContact O-N 2.83Å; Q232-D234 VanDerWaalsContact C-N 3.32Å; Q232-D234 PolarHBondContact O-N 3.3Å; D234-N238 WeakPolarHBondContact O-CB 3.29Å; D234-N238 PolarHBondContact O-N 3.27Å; D234-N238 VanDerWaalsContact O-N 3.08Å; D234-N238 PolarHBondContact O-ND2 3.48Å
235K85.5Confident85.4Confident138 Ų138102.4 Ų102.460%0.650%0.503SS*.Hα-helixtrans-64.4-48.5170.7-73.3170.4-176173.40111.6D231 Q232 L233 I237 N238 E239D231-K235 WeakPolarHBondContact O-CG 3.41Å; D231-K235 PolarHBondContact O-N 3.17Å; Q232-K235 WeakPolarHBondContact O-CB 3.31Å; Q232-K235 PolarHBondContact O-N 3.49Å; Q232-K235 VanDerWaalsContact O-N 3.14Å; L233-K235 VanDerWaalsContact C-N 3.28Å; L233-K235 PolarHBondContact O-N 2.79Å; K235-I237 PolarHBondContact O-N 3.31Å; K235-N238 PolarHBondContact O-N 2.89Å; K235-E239 WeakPolarHBondContact O-CG 3.33Å; K235-E239 PolarHBondContact O-N 2.9Å
236E89.9Confident85.7Confident107 Ų107104.5 Ų104.550%0.551%0.508SS..Hα-helixtrans-61.5-42.2178.1-69.7-178.7-174.200112.5Q232 L233 N238 E239 L240Q232-E236 PolarHBondContact O-N 2.98Å; L233-E236 PolarHBondContact O-N 3.32Å; E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.38Å; E236-E239 PolarHBondContact O-N 3.44Å; E236-L240 WeakPolarHBondContact O-CG 3.44Å; E236-L240 PolarHBondContact O-N 2.77Å
237I88.3Confident85.5Confident71 Ų71103.5 Ų103.536%0.36451%0.512SS..Hα-helixtrans-60.7-41.9176.1-73.3169.9000110.3L233 K235 R241L233-I237 WeakPolarHBondContact O-CB 3.32Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 2.82Å; K235-I237 PolarHBondContact O-N 3.31Å; I237-R241 HydrophobicContact CG2-CG 4.45Å; I237-R241 WeakPolarHBondContact O-CB 3.18Å; I237-R241 VanDerWaalsContact O-CG 3.26Å; I237-R241 WeakPolarHBondContact O-CG 3.49Å; I237-R241 PolarHBondContact O-N 3.39Å
238N85.7Confident85.5Confident86 Ų86104.6 Ų104.646%0.4652%0.515SS..Hα-helixtrans-66.1-40.5177.5-73.3-31.8000111.8D234 K235 E236 R241 D242D234-N238 WeakPolarHBondContact O-CB 3.29Å; D234-N238 PolarHBondContact O-N 3.27Å; D234-N238 VanDerWaalsContact O-N 3.08Å; D234-N238 PolarHBondContact O-ND2 3.48Å; K235-N238 PolarHBondContact O-N 2.89Å; E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.38Å; N238-R241 PolarHBondContact O-N 2.78Å; N238-D242 PolarHBondContact O-N 2.69Å
239E86.1Confident85.5Confident135 Ų135104.4 Ų104.463%0.63152%0.516SS*.Hα-helixtrans-63.3-43.4175-71.6178.1-179.300113.1K235 E236 D242 S243K235-E239 WeakPolarHBondContact O-CG 3.33Å; K235-E239 PolarHBondContact O-N 2.9Å; E236-E239 PolarHBondContact O-N 3.44Å; E239-D242 PolarHBondContact O-N 3.32Å; E239-S243 PolarHBondContact O-N 2.94Å; E239-S243 PolarHBondContact O-OG 3.23Å; E239-S243 VanDerWaalsContact O-OG 3.08Å
240L87.5Confident85.2Confident110 Ų110102 Ų10258%0.57651%0.509SS*.Hα-helixtrans-65.5-41.2175.7-75.6170.8000111.7E236 D242 S243 I244E236-L240 WeakPolarHBondContact O-CG 3.44Å; E236-L240 PolarHBondContact O-N 2.77Å; L240-D242 VanDerWaalsContact C-N 3.3Å; L240-D242 PolarHBondContact O-N 3.25Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.08Å; L240-I244 WeakPolarHBondContact O-CG1 3.41Å; L240-I244 PolarHBondContact O-N 3.11Å
241R87.7Confident84.7Confident152 Ų152101.9 Ų101.957%0.57451%0.51SS*.Hα-helixtrans-59.7-41.1175.3-81.3174.4175.7174.3-0111.7I237 N238 S243 I244 K245I237-R241 HydrophobicContact CG2-CG 4.45Å; I237-R241 WeakPolarHBondContact O-CB 3.18Å; I237-R241 VanDerWaalsContact O-CG 3.26Å; I237-R241 WeakPolarHBondContact O-CG 3.49Å; I237-R241 PolarHBondContact O-N 3.39Å; N238-R241 PolarHBondContact O-N 2.78Å; R241-S243 VanDerWaalsContact C-N 3.34Å; R241-I244 PolarHBondContact O-N 3.25Å; R241-K245 WeakPolarHBondContact O-CG 3.19Å; R241-K245 PolarHBondContact O-N 3.32Å
242D85.1Confident84.7Confident83 Ų83104.8 Ų104.844%0.44452%0.519SS..Hα-helixtrans-68.3-35177-76.6-14.6000112.1N238 E239 L240 K245 K246N238-D242 PolarHBondContact O-N 2.69Å; E239-D242 PolarHBondContact O-N 3.32Å; L240-D242 VanDerWaalsContact C-N 3.3Å; L240-D242 PolarHBondContact O-N 3.25Å; D242-K245 PolarHBondContact O-N 3.08Å; D242-K245 IonicContact OD1-NZ 3.95Å; D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 3.11Å
243S84.2Confident84.4Confident63 Ų63105.5 Ų105.544%0.44152%0.522SS..Hα-helixtrans-67.6-41.3173.6-63.10000112.2E239 L240 R241 K245 K246 C247E239-S243 PolarHBondContact O-N 2.94Å; E239-S243 PolarHBondContact O-OG 3.23Å; E239-S243 VanDerWaalsContact O-OG 3.08Å; L240-S243 WeakPolarHBondContact O-CB 3.43Å; L240-S243 PolarHBondContact O-N 3.08Å; R241-S243 VanDerWaalsContact C-N 3.34Å; S243-K245 VanDerWaalsContact C-N 3.35Å; S243-K245 PolarHBondContact O-N 2.98Å; S243-K246 PolarHBondContact O-N 3.05Å; S243-C247 PolarHBondContact O-N 3.36Å
244I87.5Confident83.8Confident92 Ų92106.8 Ų106.847%0.47253%0.529SS..Hα-helixtrans-63.1-41174.2-70168000111L240 R241 C247 K248L240-I244 WeakPolarHBondContact O-CG1 3.41Å; L240-I244 PolarHBondContact O-N 3.11Å; R241-I244 PolarHBondContact O-N 3.25Å; I244-C247 PolarHBondContact O-N 2.87Å; I244-K248 HydrophobicContact CG2-CD 4.21Å; I244-K248 HydrophobicContact CG2-CG 4.4Å; I244-K248 WeakPolarHBondContact O-CB 3.39Å; I244-K248 WeakPolarHBondContact O-CG 3.26Å; I244-K248 PolarHBondContact O-N 3.01Å
245K86.4Confident83.2Confident125 Ų125111.4 Ų111.454%0.54354%0.54SS..Hα-helixtrans-59.2-48.4174.5-78.8177.7-176.7167.50111.1R241 D242 S243 C247 K248 E249R241-K245 WeakPolarHBondContact O-CG 3.19Å; R241-K245 PolarHBondContact O-N 3.32Å; D242-K245 PolarHBondContact O-N 3.08Å; D242-K245 IonicContact OD1-NZ 3.95Å; S243-K245 VanDerWaalsContact C-N 3.35Å; S243-K245 PolarHBondContact O-N 2.98Å; K245-C247 PolarHBondContact O-N 3.32Å; K245-K248 PolarHBondContact O-N 3.23Å; K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.01Å
246K84.9Confident82.4Confident142 Ų142108 Ų10862%0.61753%0.534SS*.Hα-helixtrans-58.4-45.2176.3-70.8172.6-177.6175.80112.2D242 S243 E249 A250D242-K246 WeakPolarHBondContact O-CG 3.35Å; D242-K246 PolarHBondContact O-N 3.11Å; S243-K246 PolarHBondContact O-N 3.05Å; K246-E249 PolarHBondContact O-N 3.25Å; K246-A250 WeakPolarHBondContact O-CB 3.41Å; K246-A250 PolarHBondContact O-N 3.09Å
247C79.7Confident81.4Confident82 Ų82108.7 Ų108.755%0.55454%0.537SS*.Hα-helixtrans-63.9-41175.8-76.20000112.4S243 I244 K245 E249 A250 C251S243-C247 PolarHBondContact O-N 3.36Å; I244-C247 PolarHBondContact O-N 2.87Å; K245-C247 PolarHBondContact O-N 3.32Å; C247-E249 VanDerWaalsContact C-N 3.34Å; C247-E249 PolarHBondContact O-N 3.26Å; C247-A250 PolarHBondContact O-N 3.14Å; C247-C251 WeakPolarHBondContact O-CB 3.4Å; C247-C251 PolarHBondContact O-N 3.44Å; C247-C251 PolarHBondContact O-SG 2.99Å; C247-C251 VanDerWaalsContact O-SG 3.37Å
248K83.5Confident80.3Confident144 Ų144107.8 Ų107.863%0.62654%0.54SS*.Hα-helixtrans-63.8-39.8176.5-80.4-178.1178178.40112I244 K245 C251 K252I244-K248 HydrophobicContact CG2-CD 4.21Å; I244-K248 HydrophobicContact CG2-CG 4.4Å; I244-K248 WeakPolarHBondContact O-CB 3.39Å; I244-K248 WeakPolarHBondContact O-CG 3.26Å; I244-K248 PolarHBondContact O-N 3.01Å; K245-K248 PolarHBondContact O-N 3.23Å; K248-C251 PolarHBondContact O-N 2.95Å; K248-K252 WeakPolarHBondContact O-CB 3.23Å; K248-K252 PolarHBondContact O-N 2.87Å
249E81.4Confident79.1Confident119 Ų119109.1 Ų109.156%0.55654%0.543SS*.Hα-helixtrans-63.9-45.5174.5-74.8167-177.100111.2K245 K246 C247 C251 K252 Q253K245-E249 WeakPolarHBondContact O-CG 3.22Å; K245-E249 PolarHBondContact O-N 3.01Å; K246-E249 PolarHBondContact O-N 3.25Å; C247-E249 VanDerWaalsContact C-N 3.34Å; C247-E249 PolarHBondContact O-N 3.26Å; E249-C251 PolarHBondContact O-N 3.24Å; E249-K252 WeakPolarHBondContact O-CB 3.49Å; E249-K252 PolarHBondContact O-N 3.43Å; E249-K252 VanDerWaalsContact O-N 3.15Å; E249-Q253 WeakPolarHBondContact O-CG 3.48Å; E249-Q253 PolarHBondContact O-N 2.92Å
250A78.7Confident78Confident43 Ų43106.2 Ų106.236%0.35554%0.543SS..Hα-helixtrans-60.8-43.9174.400000112.3K246 C247 K252 Q253 L254K246-A250 WeakPolarHBondContact O-CB 3.41Å; K246-A250 PolarHBondContact O-N 3.09Å; C247-A250 PolarHBondContact O-N 3.14Å; A250-K252 VanDerWaalsContact C-N 3.32Å; A250-K252 PolarHBondContact O-N 3.3Å; A250-Q253 PolarHBondContact O-N 3.25Å; A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.26Å
251C75.7Confident76.5Confident72 Ų72109.6 Ų109.649%0.48655%0.553SS.*Hα-helixtrans-64.2-35.5174.5-73.90000112.5C247 K248 E249 R255C247-C251 WeakPolarHBondContact O-CB 3.4Å; C247-C251 PolarHBondContact O-N 3.44Å; C247-C251 PolarHBondContact O-SG 2.99Å; C247-C251 VanDerWaalsContact O-SG 3.37Å; K248-C251 PolarHBondContact O-N 2.95Å; E249-C251 PolarHBondContact O-N 3.24Å; C251-R255 VanDerWaalsContact O-CB 3.31Å; C251-R255 WeakPolarHBondContact O-CB 3.21Å; C251-R255 WeakPolarHBondContact O-CG 3.5Å; C251-R255 PolarHBondContact O-N 3.15Å
252K81.3Confident74.6Confident162 Ų162109.2 Ų109.270%0.70456%0.558SS**Hα-helixtrans-65.1-42.9173.9-104.5-174.3175.7-177.50111.4K248 E249 A250 R255 S256K248-K252 WeakPolarHBondContact O-CB 3.23Å; K248-K252 PolarHBondContact O-N 2.87Å; E249-K252 WeakPolarHBondContact O-CB 3.49Å; E249-K252 PolarHBondContact O-N 3.43Å; E249-K252 VanDerWaalsContact O-N 3.15Å; A250-K252 VanDerWaalsContact C-N 3.32Å; A250-K252 PolarHBondContact O-N 3.3Å; K252-R255 PolarHBondContact O-N 3.41Å; K252-S256 WeakPolarHBondContact O-CB 3.26Å; K252-S256 PolarHBondContact O-N 3.37Å; K252-S256 PolarHBondContact O-OG 2.78Å
253Q78.6Confident72.8Confident126 Ų126113.4 Ų113.459%0.58957%0.572SS**Hα-helixtrans-60.9-50.9175.8-73175.1-11.900110.7E249 A250 R255 S256 E257E249-Q253 WeakPolarHBondContact O-CG 3.48Å; E249-Q253 PolarHBondContact O-N 2.92Å; A250-Q253 PolarHBondContact O-N 3.25Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 2.84Å; Q253-S256 PolarHBondContact O-N 3Å; Q253-S256 PolarHBondContact O-OG 3.1Å; Q253-E257 WeakPolarHBondContact O-CG 3.28Å; Q253-E257 PolarHBondContact O-N 2.89Å
254L74.9Confident70.8Confident109 Ų109119.5 Ų119.557%0.57159%0.591SS**Hα-helixtrans-59.8-39.4175.8-73.9168.4000112.8A250 E257 A258A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.26Å; L254-E257 PolarHBondContact O-N 2.88Å; L254-A258 WeakPolarHBondContact O-CB 3.44Å; L254-A258 PolarHBondContact O-N 3.32Å
255R73.9Confident68.2Low178 Ų178126.3 Ų126.367%0.67261%0.61SS**Hα-helixtrans-65.5-39.5173.4-83.8-175.8-179.8-179.30.7112.1C251 K252 Q253 E257 A258 E259C251-R255 VanDerWaalsContact O-CB 3.31Å; C251-R255 WeakPolarHBondContact O-CB 3.21Å; C251-R255 WeakPolarHBondContact O-CG 3.5Å; C251-R255 PolarHBondContact O-N 3.15Å; K252-R255 PolarHBondContact O-N 3.41Å; Q253-R255 VanDerWaalsContact C-N 3.32Å; Q253-R255 PolarHBondContact O-N 2.84Å; R255-E257 VanDerWaalsContact C-N 3.3Å; R255-A258 CarbonylContact O-C 3.52Å; R255-A258 PolarHBondContact O-N 3.21Å; R255-E259 VanDerWaalsContact O-CB 3.3Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 2.83Å
256S70.3Confident65.5Low67 Ų67127.7 Ų127.747%0.46962%0.619SS.*Hα-helixtrans-66.8-34.1176.170.90000111.9K252 Q253 A260K252-S256 WeakPolarHBondContact O-CB 3.26Å; K252-S256 PolarHBondContact O-N 3.37Å; K252-S256 PolarHBondContact O-OG 2.78Å; Q253-S256 PolarHBondContact O-N 3Å; Q253-S256 PolarHBondContact O-OG 3.1Å; S256-A260 VanDerWaalsContact O-CB 3.22Å; S256-A260 WeakPolarHBondContact O-CB 3.38Å; S256-A260 PolarHBondContact O-N 3.16Å
257E67.1Low62.8Low121 Ų121126.8 Ų126.857%0.56562%0.621SS**Hα-helixtrans-66.5-40.9171.1-70.9173.2-177.600111.4Q253 L254 R255 F261Q253-E257 WeakPolarHBondContact O-CG 3.28Å; Q253-E257 PolarHBondContact O-N 2.89Å; L254-E257 PolarHBondContact O-N 2.88Å; R255-E257 VanDerWaalsContact C-N 3.3Å; E257-F261 PolarHBondContact O-N 2.62Å
258A65.2Low60.3Low53 Ų53130.6 Ų130.644%0.43863%0.63SS.*Hα-helixtrans-69.3-41.5175.500000112.8L254 R255 F261 Q262L254-A258 WeakPolarHBondContact O-CB 3.44Å; L254-A258 PolarHBondContact O-N 3.32Å; R255-A258 CarbonylContact O-C 3.52Å; R255-A258 PolarHBondContact O-N 3.21Å; A258-F261 CarbonylContact O-C 3.58Å; A258-F261 WeakPolarHBondContact O-CA 3.43Å; A258-F261 WeakPolarHBondContact O-CB 3.31Å; A258-F261 PolarHBondContact O-N 3.44Å; A258-F261 VanDerWaalsContact O-N 3.07Å; A258-Q262 PolarHBondContact O-N 2.8Å
259E62Low57.5Low113 Ų113131.6 Ų131.653%0.52864%0.642SS.*Hα-helixtrans-69.8-32.8176.4-76.8-178.4-177.400111.6R255 F261 Q262 K263R255-E259 VanDerWaalsContact O-CB 3.3Å; R255-E259 WeakPolarHBondContact O-CB 3.41Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 2.83Å; E259-F261 PolarHBondContact O-N 3.42Å; E259-Q262 PolarHBondContact O-N 3.34Å; E259-K263 PolarHBondContact O-N 3.43Å
260A61.5Low55.1Low75 Ų75134.6 Ų134.662%0.6265%0.653SS**Hα-helixtrans-60.6-31.2168.200000111.5S256S256-A260 VanDerWaalsContact O-CB 3.22Å; S256-A260 WeakPolarHBondContact O-CB 3.38Å; S256-A260 PolarHBondContact O-N 3.16Å
261F56.7Low52.6Low181 Ų181139.7 Ų139.779%0.79468%0.68SS**Hα-helixtrans-74.5-33.7169.4-107.8-87.9000113.3E257 A258 E259E257-F261 PolarHBondContact O-N 2.62Å; A258-F261 CarbonylContact O-C 3.58Å; A258-F261 WeakPolarHBondContact O-CA 3.43Å; A258-F261 WeakPolarHBondContact O-CB 3.31Å; A258-F261 PolarHBondContact O-N 3.44Å; A258-F261 VanDerWaalsContact O-N 3.07Å; E259-F261 PolarHBondContact O-N 3.42Å
262Q48.4Very low50.2Low144 Ų144140 Ų14067%0.67370%0.696SS**Hα-helixtrans-93.2-18.5-170.6-134.9173.22.500115A258 E259 K264 R265A258-Q262 PolarHBondContact O-N 2.8Å; E259-Q262 PolarHBondContact O-N 3.34Å; Q262-K264 PolarHBondContact O-N 3.5Å; Q262-R265 PolarHBondContact O-N 2.81Å
263K46.3Very low47.6Very low171 Ų171139.4 Ų139.474%0.74371%0.706SS**THydrogen-bonded Turntrans-60.73.7171.9-93.9-177176.21790114.9E259 R265E259-K263 PolarHBondContact O-N 3.43Å; K263-R265 VanDerWaalsContact C-N 3.31Å
264K42.8Very low45Very low191 Ų191143 Ų14383%0.8372%0.72SS**THydrogen-bonded Turntrans-76.5-4.4162.4-80.4-174.9175.4176.30114.9Q262Q262-K264 PolarHBondContact O-N 3.5Å
265R32.1Very low42.7Very low234 Ų234142.7 Ų142.788%0.88373%0.727SS**SBendtrans-14091.5175.9-89.2179.7137.4166.8-7110.8Q262 K263Q262-R265 PolarHBondContact O-N 2.81Å; K263-R265 VanDerWaalsContact C-N 3.31Å
266E30.2Very low40.6Very low154 Ų154141.2 Ų141.272%0.7273%0.731SS**  trans-76149.2-169.6-76.8-178.7158.100115.4
267N28.4Very low38.5Very low123 Ų123146.3 Ų146.366%0.65875%0.748SS**  trans72.6136.8143.2-59.4-9.1000119.2
268H27.1Very low36.8Very low163 Ų163150.1 Ų150.176%0.75577%0.765SS**  cis-175.4120-13.7-119.5-64.6000104.5
269D25.3Very low35.1Very low165 Ų165157.2 Ų157.288%0.88279%0.786SS**  trans-162.7125.4153-140.4-8.1000110.8
270K30.4Very low33.5Very low181 Ų181156.3 Ų156.379%0.78780%0.798SS**  trans-155127.2-177.4-71.8-173.4-178.9177.30110
271T27.4Very low31.9Very low150 Ų150164.4 Ų164.492%0.9281%0.813SS**  175.3119.6112.725.20000110.9
272G24.1Very low30.6Very low79 Ų79166.9 Ų166.981%0.81482%0.817SS**  trans-139.1124.9165.300000108.1
273T27.6Very low29.7Very low149 Ų149165.9 Ų165.991%0.91482%0.822SS**  trans-114.7138.2-176.810.10000110.7
274F24.4Very low28.9Very low201 Ų201165.6 Ų165.688%0.88283%0.828SS**  trans-104.2156.3-164.3-136.5-98.1000111.6
275S25.1Very low28.4Very low103 Ų103167.3 Ų167.372%0.7283%0.829SS**  trans-82.1158.3173.5-43.10000112.7
276I30Very low28.5Very low147 Ų147161.2 Ų161.275%0.75482%0.818SS**  trans-170126.3147.4-89141.3000110.6
277E26.9Very low28.7Very low175 Ų175159.8 Ų159.882%0.81882%0.822SS**  trans29.7134.1141.6-48.8178153.500124
278E32.2Very low29.3Very low200 Ų200160 Ų16094%0.93582%0.823SS**  trans-150.5113.9142.1-135169.2-168.500110.3
279K29.4Very low30Very low203 Ų203162.9 Ų162.988%0.88383%0.827SS**  trans-97.3120.9176.6-84.2-179178.6171.30110.3
280A27.7Very low31Very low94 Ų94162.9 Ų162.978%0.77782%0.822SS**  trans-67.5131.3175.500000112.9
281R27.2Very low31.9Very low245 Ų245157.5 Ų157.593%0.92582%0.817SS**  trans-111.6117.3155.2-78.7-174.6173.9-168.3-0.9107.9
282R29Very low33Very low233 Ų233157.4 Ų157.488%0.87981%0.806SS**  trans-98.8121169.5-74.6-179.6176.7176.9-1.1108.5
283P30.8Very low34.4Very low122 Ų122158.7 Ų158.779%0.79279%0.794SS**  trans-75.5124.9165.5-9.325.7000109.3R285P283-R285 PolarHBondContact O-N 2.81Å; P283-R285 VanDerWaalsContact O-N 3.17Å
284L29.4Very low36Very low165 Ų165154.7 Ų154.786%0.86477%0.77SS**  trans-69105.4169.3-118.480000108.1
285R30.9Very low37.8Very low227 Ų227151.2 Ų151.286%0.85776%0.755SS**  trans-98.799.5173-154.2175.7-179.5-174-0.1108P283P283-R285 PolarHBondContact O-N 2.81Å; P283-R285 VanDerWaalsContact O-N 3.17Å
286V36.1Very low39.5Very low107 Ų107151.9 Ų151.965%0.64875%0.745SS**  trans-81.7124.8170.5-1680000107.3L288V286-L288 PolarHBondContact O-N 3.33Å
287P32.7Very low41.3Very low123 Ų123147 Ų14780%0.79972%0.72SS**  trans-77.191.6-178.329.2-30.9000109.8
288L42.4Very low43.1Very low129 Ų129142.5 Ų142.568%0.67571%0.705SS**  trans-84.6129.8164.6-74.1160.5000107.6V286 E290V286-L288 PolarHBondContact O-N 3.33Å; L288-E290 PolarHBondContact O-N 3.27Å
289R42Very low44.8Very low222 Ų222136.8 Ų136.884%0.83868%0.678SS**  trans-64.595.3175.7-69.7178.1178.4178.4-1.1108.6G291R289-G291 PolarHBondContact O-N 3.16Å
290E45Very low46.6Very low166 Ų166129.1 Ų129.178%0.77665%0.646SS**THydrogen-bonded Turntrans-63.6-10.4-169.6-81.9167.9176.500115.4L288L288-E290 PolarHBondContact O-N 3.27Å
291G50.4Low48.6Very low67 Ų67129.6 Ų129.669%0.69163%0.629SS**THydrogen-bonded Turntrans-85.9-38.4-174.100000116.7R289R289-G291 PolarHBondContact O-N 3.16Å
292E50.2Low50.7Low148 Ų148122.4 Ų122.469%0.69261%0.608SS**THydrogen-bonded Turntrans-100.6-27.2-164.9-66.5-175.4161.500114.1F295 K296E292-F295 PolarHBondContact O-N 2.87Å; E292-K296 PolarHBondContact O-N 2.91Å
293L54Low52.9Low107 Ų107114.7 Ų114.756%0.5659%0.591SS**Hα-helixtrans-63.9-46-174.7-153.575.7000112.5F295 K296 I297L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.31Å; L293-K296 PolarHBondContact O-N 2.92Å; L293-I297 HydrophobicContact CG-CD1 4.15Å; L293-I297 WeakPolarHBondContact O-CB 3.26Å; L293-I297 WeakPolarHBondContact O-CD1 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 3.27Å; L293-I297 VanDerWaalsContact O-N 3.16Å
294P60.1Low55Low64 Ų64109.7 Ų109.742%0.41656%0.557SS.*Hα-helixtrans-61.2-38.8176.4-21.834.3000112V298P294-V298 VanDerWaalsContact O-CG2 3.25Å; P294-V298 WeakPolarHBondContact O-CG2 3.39Å; P294-V298 PolarHBondContact O-N 3.46Å
295F61.8Low57.1Low128 Ų128105.9 Ų105.956%0.56154%0.535SS*.Hα-helixtrans-66-46.2-179.5-176.8-100.9000112.5E292 L293 I297 V298 Q299E292-F295 PolarHBondContact O-N 2.87Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.31Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 2.86Å; F295-V298 PolarHBondContact O-N 3.45Å; F295-Q299 HydrophobicContact CD1-CG 4.28Å; F295-Q299 HydrophobicContact CE1-CG 3.9Å; F295-Q299 HydrophobicContact CZ-CG 4.08Å; F295-Q299 VanDerWaalsContact CZ-NE2 3.34Å; F295-Q299 WeakPolarHBondContact O-CG 3.4Å; F295-Q299 PolarHBondContact O-N 3.21Å
296K62Low59.3Low118 Ų11899.8 Ų99.851%0.51352%0.519SS..Hα-helixtrans-65.6-37.9-179.6-164.769-177.7178.90111.9E292 L293 Q299 L300E292-K296 PolarHBondContact O-N 2.91Å; L293-K296 PolarHBondContact O-N 2.92Å; K296-Q299 PolarHBondContact O-N 2.77Å; K296-L300 HydrophobicContact CG-CD1 4.21Å; K296-L300 VanDerWaalsContact O-CG 3.32Å; K296-L300 WeakPolarHBondContact O-CG 3.18Å; K296-L300 PolarHBondContact O-N 2.85Å
297I66.8Low61.1Low44 Ų4495.7 Ų95.723%0.22649%0.493CS..Hα-helixtrans-60.6-47.6174.8-72.5172000110.6C213 L293 F295 Q299 L300 Y301C213-I297 HydrophobicContact CB-CG2 3.88Å; C213-I297 WeakPolarHBondContact SG-CG2 3.44Å; L293-I297 HydrophobicContact CG-CD1 4.15Å; L293-I297 WeakPolarHBondContact O-CB 3.26Å; L293-I297 WeakPolarHBondContact O-CD1 3.28Å; L293-I297 WeakPolarHBondContact O-CG1 3.47Å; L293-I297 PolarHBondContact O-N 3.27Å; L293-I297 VanDerWaalsContact O-N 3.16Å; F295-I297 VanDerWaalsContact C-N 3.31Å; F295-I297 PolarHBondContact O-N 2.86Å; I297-Q299 PolarHBondContact O-N 3.23Å; I297-L300 PolarHBondContact O-N 2.64Å; I297-Y301 WeakPolarHBondContact O-CB 3.27Å; I297-Y301 PolarHBondContact O-N 3.16Å
298V64.9Low63.2Low81 Ų8191.3 Ų91.349%0.49147%0.465SS..Hα-helixtrans-62.4-40.7177.4171.10000111.8P294 F295 Y301 N302P294-V298 VanDerWaalsContact O-CG2 3.25Å; P294-V298 WeakPolarHBondContact O-CG2 3.39Å; P294-V298 PolarHBondContact O-N 3.46Å; F295-V298 PolarHBondContact O-N 3.45Å; V298-Y301 WeakPolarHBondContact O-CB 3.37Å; V298-Y301 PolarHBondContact O-N 3.36Å; V298-N302 PolarHBondContact O-N 2.6Å; V298-N302 PolarHBondContact O-ND2 2.94Å
299Q68.3Low64.9Low79 Ų7991.4 Ų91.437%0.36946%0.46SS..Hα-helixtrans-61.7-47.2175.6-74.6-168.6-35.200112.3F295 K296 I297 Y301 N302 S303F295-Q299 HydrophobicContact CD1-CG 4.28Å; F295-Q299 HydrophobicContact CE1-CG 3.9Å; F295-Q299 HydrophobicContact CZ-CG 4.08Å; F295-Q299 VanDerWaalsContact CZ-NE2 3.34Å; F295-Q299 WeakPolarHBondContact O-CG 3.4Å; F295-Q299 PolarHBondContact O-N 3.21Å; K296-Q299 PolarHBondContact O-N 2.77Å; I297-Q299 PolarHBondContact O-N 3.23Å; Q299-Y301 VanDerWaalsContact C-N 3.31Å; Q299-Y301 PolarHBondContact O-N 3.42Å; Q299-N302 PolarHBondContact O-N 2.93Å; Q299-S303 PolarHBondContact O-N 3.41Å; Q299-S303 PolarHBondContact O-OG 3.35Å
300L68.2Low66.5Low43 Ų4386 Ų8623%0.22544%0.443CS..Hα-helixtrans-62.4-39.7178.7-73.5164.6000111.6Y206 L209 K296 I297 S303 L304Y206-L300 HydrophobicContact CD1-CD2 4.28Å; Y206-L300 HydrophobicContact CE1-CD2 3.71Å; L209-L300 HydrophobicContact CD2-CD1 3.8Å; K296-L300 HydrophobicContact CG-CD1 4.21Å; K296-L300 VanDerWaalsContact O-CG 3.32Å; K296-L300 WeakPolarHBondContact O-CG 3.18Å; K296-L300 PolarHBondContact O-N 2.85Å; I297-L300 PolarHBondContact O-N 2.64Å; L300-S303 PolarHBondContact O-N 2.85Å; L300-L304 WeakPolarHBondContact O-CB 3.43Å; L300-L304 PolarHBondContact O-N 3.28Å
301Y68.6Low68Low103 Ų10378.8 Ų78.840%0.40441%0.41SS..Hα-helixtrans-57.8-50.4173.5178.4-90.2000111.4F210 I297 V298 Q299 S303 L304 Q305F210-Y301 HydrophobicContact CD2-CD2 4.19Å; F210-Y301 HydrophobicContact CD2-CE2 4.3Å; F210-Y301 HydrophobicContact CE2-CD2 4.06Å; F210-Y301 AromaticContact CE2-CE2 3.71Å; F210-Y301 HydrophobicContact CE2-CE2 3.71Å; I297-Y301 WeakPolarHBondContact O-CB 3.27Å; I297-Y301 PolarHBondContact O-N 3.16Å; V298-Y301 WeakPolarHBondContact O-CB 3.37Å; V298-Y301 PolarHBondContact O-N 3.36Å; Q299-Y301 VanDerWaalsContact C-N 3.31Å; Q299-Y301 PolarHBondContact O-N 3.42Å; Y301-S303 VanDerWaalsContact C-N 3.34Å; Y301-S303 PolarHBondContact O-N 2.9Å; Y301-L304 PolarHBondContact O-N 3.03Å; Y301-Q305 HydrophobicContact CD1-CG 4.05Å; Y301-Q305 HydrophobicContact CE1-CG 3.67Å; Y301-Q305 HydrophobicContact CE2-CG 4.49Å; Y301-Q305 VanDerWaalsContact O-CG 3.31Å; Y301-Q305 WeakPolarHBondContact O-CG 3.37Å; Y301-Q305 PolarHBondContact O-N 2.92Å
302N72.4Confident69.3Low94 Ų9483.4 Ų83.450%0.50341%0.406SS..Hα-helixtrans-62.4-40.2179.3-71.1-26.6000112.4V298 Q299 Q305 L306V298-N302 PolarHBondContact O-N 2.6Å; V298-N302 PolarHBondContact O-ND2 2.94Å; Q299-N302 PolarHBondContact O-N 2.93Å; N302-Q305 PolarHBondContact O-N 3.15Å; N302-L306 WeakPolarHBondContact O-CB 3.47Å; N302-L306 PolarHBondContact O-N 2.65Å
303S74.4Confident70.7Confident72 Ų7278.5 Ų78.550%0.50339%0.386SS..Hα-helixtrans-62.5-44.1175-650000111.9Q299 L300 Y301 L306 L307Q299-S303 PolarHBondContact O-N 3.41Å; Q299-S303 PolarHBondContact O-OG 3.35Å; L300-S303 PolarHBondContact O-N 2.85Å; Y301-S303 VanDerWaalsContact C-N 3.34Å; Y301-S303 PolarHBondContact O-N 2.9Å; S303-L306 PolarHBondContact O-N 3.25Å; S303-L307 WeakPolarHBondContact O-CB 3.37Å; S303-L307 PolarHBondContact O-N 3.22Å
304L74.6Confident71.6Confident17 Ų1774.4 Ų74.49%0.08937%0.365CS..Hα-helixtrans-64.3-40.1177.1-174.562.5000112.3Q203 Y206 F210 L300 Y301 L307 S308Q203-L304 HydrophobicContact CB-CD1 4.34Å; Q203-L304 HydrophobicContact CG-CD1 3.87Å; Y206-L304 HydrophobicContact CD2-CD1 4.38Å; Y206-L304 HydrophobicContact CG-CD1 4.4Å; F210-L304 HydrophobicContact CB-CD2 4.02Å; F210-L304 HydrophobicContact CD2-CD2 4.14Å; F210-L304 HydrophobicContact CG-CD2 4.43Å; L300-L304 WeakPolarHBondContact O-CB 3.43Å; L300-L304 PolarHBondContact O-N 3.28Å; Y301-L304 PolarHBondContact O-N 3.03Å; L304-L307 PolarHBondContact O-N 2.94Å; L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 3.27Å; L304-S308 PolarHBondContact O-OG 3.27Å
305Q73.3Confident72.4Confident84 Ų8473.8 Ų73.839%0.39336%0.356SS..Hα-helixtrans-62.9-44174.7-70.1-61.1-40.600111.4Y301 N302 L307 S308 F309Y301-Q305 HydrophobicContact CD1-CG 4.05Å; Y301-Q305 HydrophobicContact CE1-CG 3.67Å; Y301-Q305 HydrophobicContact CE2-CG 4.49Å; Y301-Q305 VanDerWaalsContact O-CG 3.31Å; Y301-Q305 WeakPolarHBondContact O-CG 3.37Å; Y301-Q305 PolarHBondContact O-N 2.92Å; N302-Q305 PolarHBondContact O-N 3.15Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.14Å; Q305-S308 WeakPolarHBondContact CA-OG 3.45Å; Q305-S308 PolarHBondContact O-OG 3.06Å; Q305-F309 WeakPolarHBondContact O-CB 3.43Å; Q305-F309 PolarHBondContact O-N 3.39Å
306L77.3Confident73.2Confident99 Ų9972.5 Ų72.552%0.51835%0.352SS..Hα-helixtrans-63.8-39.9176.1-177.563.4000112.1N302 S303 K310N302-L306 WeakPolarHBondContact O-CB 3.47Å; N302-L306 PolarHBondContact O-N 2.65Å; S303-L306 PolarHBondContact O-N 3.25Å; L306-K310 WeakPolarHBondContact O-CG 3.48Å; L306-K310 PolarHBondContact O-N 3.35Å
307L74.5Confident73.8Confident21 Ų2173 Ų7311%0.1135%0.354CS..Hα-helixtrans-63.9-51.7179-159.575.1000111.5L199 E202 Q203 S303 L304 Q305 F309 K310 L311L199-L307 HydrophobicContact CB-CD1 4.15Å; L199-L307 HydrophobicContact CB-CG 4.2Å; L199-L307 HydrophobicContact CD2-CD1 3.39Å; L199-L307 HydrophobicContact CD2-CG 3.71Å; L199-L307 HydrophobicContact CG-CD1 3.42Å; L199-L307 VanDerWaalsContact CG-CD1 3.42Å; L199-L307 HydrophobicContact CG-CG 3.94Å; L199-L307 WeakPolarHBondContact O-CD2 3.49Å; E202-L307 HydrophobicContact CB-CD2 3.72Å; Q203-L307 HydrophobicContact CB-CD2 4.15Å; S303-L307 WeakPolarHBondContact O-CB 3.37Å; S303-L307 PolarHBondContact O-N 3.22Å; L304-L307 PolarHBondContact O-N 2.94Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.14Å; L307-F309 VanDerWaalsContact C-N 3.29Å; L307-F309 PolarHBondContact O-N 2.97Å; L307-K310 PolarHBondContact O-N 3.37Å; L307-K310 VanDerWaalsContact O-N 3.15Å; L307-L311 PolarHBondContact O-N 3.11Å
308S75.2Confident74.2Confident31 Ų3177.3 Ų77.322%0.21737%0.368CS..Hα-helixtrans-61.6-37.3177.856.90000112.2L304 Q305 L311 R312L304-S308 WeakPolarHBondContact O-CB 3.44Å; L304-S308 PolarHBondContact O-N 3.27Å; L304-S308 PolarHBondContact O-OG 3.27Å; Q305-S308 WeakPolarHBondContact CA-OG 3.45Å; Q305-S308 PolarHBondContact O-OG 3.06Å; S308-L311 PolarHBondContact O-N 3.38Å; S308-R312 WeakPolarHBondContact O-CB 3.41Å; S308-R312 PolarHBondContact O-N 3.08Å
309F78.1Confident74.8Confident131 Ų13178 Ų7858%0.57537%0.366SS*.Hα-helixtrans-62.1-47.3172.3179.5-99.2000112.2Q305 L307 L311 R312 V313Q305-F309 WeakPolarHBondContact O-CB 3.43Å; Q305-F309 PolarHBondContact O-N 3.39Å; L307-F309 VanDerWaalsContact C-N 3.29Å; L307-F309 PolarHBondContact O-N 2.97Å; F309-L311 PolarHBondContact O-N 2.66Å; F309-R312 PolarHBondContact O-N 2.76Å; F309-V313 HydrophobicContact CD1-CG2 4.33Å; F309-V313 HydrophobicContact CE1-CG2 3.87Å; F309-V313 HydrophobicContact CE2-CG2 4.22Å; F309-V313 HydrophobicContact CZ-CG2 3.81Å; F309-V313 WeakPolarHBondContact O-CG2 3.46Å; F309-V313 PolarHBondContact O-N 3Å
310K77.1Confident75.2Confident109 Ų10979.9 Ų79.947%0.47437%0.372SS..Hα-helixtrans-59.6-45.1177.1-75.2176.7-180-177.70111.9L199 L306 L307 R312 V313 I314L199-K310 HydrophobicContact CD2-CB 3.85Å; L306-K310 WeakPolarHBondContact O-CG 3.48Å; L306-K310 PolarHBondContact O-N 3.35Å; L307-K310 PolarHBondContact O-N 3.37Å; L307-K310 VanDerWaalsContact O-N 3.15Å; K310-R312 PolarHBondContact O-N 3.03Å; K310-V313 PolarHBondContact O-N 3.41Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.47Å; K310-I314 PolarHBondContact O-N 3.28Å; K310-I314 VanDerWaalsContact O-N 3.09Å
311L76.2Confident75.4Confident14 Ų1479.7 Ų79.77%0.07338%0.375CS..Hα-helixtrans-56.4-49.5175.9-76.3175.6000111.5L196 L199 E200 Q203 L307 S308 F309 V313 I314 E315L196-L311 HydrophobicContact CD2-CD2 3.48Å; L196-L311 VanDerWaalsContact CD2-CD2 3.48Å; L196-L311 HydrophobicContact CG-CD2 4.49Å; L199-L311 HydrophobicContact CB-CD1 4.09Å; L199-L311 HydrophobicContact CB-CD2 3.37Å; L199-L311 HydrophobicContact CB-CG 3.75Å; L199-L311 HydrophobicContact CD2-CD2 4.03Å; L199-L311 HydrophobicContact CD2-CG 3.85Å; L199-L311 HydrophobicContact CG-CD2 4.27Å; L199-L311 HydrophobicContact CG-CG 4.46Å; E200-L311 HydrophobicContact CG-CD1 4.19Å; E200-L311 HydrophobicContact CG-CD2 4.03Å; Q203-L311 HydrophobicContact CB-CD1 4.39Å; L307-L311 PolarHBondContact O-N 3.11Å; S308-L311 PolarHBondContact O-N 3.38Å; F309-L311 PolarHBondContact O-N 2.66Å; L311-V313 PolarHBondContact O-N 3.39Å; L311-I314 PolarHBondContact O-N 3.08Å; L311-E315 WeakPolarHBondContact O-CB 3.37Å; L311-E315 PolarHBondContact O-N 2.95Å
312R78.1Confident75.7Confident165 Ų16578.8 Ų78.862%0.62337%0.374SS*.Hα-helixtrans-58.1-46.3179.2-177.8179.3174.3167.44.3112.3S308 F309 K310 I314 E315 E316S308-R312 WeakPolarHBondContact O-CB 3.41Å; S308-R312 PolarHBondContact O-N 3.08Å; F309-R312 PolarHBondContact O-N 2.76Å; K310-R312 PolarHBondContact O-N 3.03Å; R312-I314 VanDerWaalsContact C-N 3.31Å; R312-I314 PolarHBondContact O-N 3.21Å; R312-E315 PolarHBondContact O-N 3.45Å; R312-E316 HydrophobicContact CG-CG 4.47Å; R312-E316 WeakPolarHBondContact CG-OE1 3.16Å; R312-E316 IonicContact CZ-OE1 3.71Å; R312-E316 IonicContact NE-OE1 3.66Å; R312-E316 PolarHBondContact NE-OE1 3.05Å; R312-E316 IonicContact NH2-OE1 2.94Å; R312-E316 WeakPolarHBondContact O-CB 3.48Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 3.4Å
313V78.1Confident76Confident44 Ų4481.1 Ų81.127%0.26738%0.38SS..Hα-helixtrans-62.2-39.9179.1171.20000111.6F309 K310 L311 K317F309-V313 HydrophobicContact CD1-CG2 4.33Å; F309-V313 HydrophobicContact CE1-CG2 3.87Å; F309-V313 HydrophobicContact CE2-CG2 4.22Å; F309-V313 HydrophobicContact CZ-CG2 3.81Å; F309-V313 WeakPolarHBondContact O-CG2 3.46Å; F309-V313 PolarHBondContact O-N 3Å; K310-V313 PolarHBondContact O-N 3.41Å; L311-V313 PolarHBondContact O-N 3.39Å; V313-K317 HydrophobicContact CG1-CD 4.45Å; V313-K317 WeakPolarHBondContact O-CG 3.41Å; V313-K317 PolarHBondContact O-N 2.79Å
314I74.3Confident76Confident21 Ų2178.7 Ų78.711%0.10836%0.361CS..Hα-helixtrans-69.7-40.5179.4-64.9168.4000110.8Y187 N192 L196 K310 L311 R312 K317 R318Y187-I314 HydrophobicContact CE2-CG2 4.36Å; Y187-I314 VanDerWaalsContact OH-CG2 3.24Å; Y187-I314 WeakPolarHBondContact OH-CG2 3.4Å; Y187-I314 PolarHBondContact OH-O 3.17Å; N192-I314 HydrophobicContact CB-CG2 4.26Å; L196-I314 HydrophobicContact CD1-CG2 3.59Å; L196-I314 HydrophobicContact CD2-CB 3.89Å; L196-I314 HydrophobicContact CD2-CD1 4.43Å; L196-I314 HydrophobicContact CD2-CG2 3.69Å; L196-I314 HydrophobicContact CG-CB 4.34Å; L196-I314 HydrophobicContact CG-CG2 3.65Å; K310-I314 VanDerWaalsContact O-CG1 3.32Å; K310-I314 WeakPolarHBondContact O-CG1 3.47Å; K310-I314 PolarHBondContact O-N 3.28Å; K310-I314 VanDerWaalsContact O-N 3.09Å; L311-I314 PolarHBondContact O-N 3.08Å; R312-I314 VanDerWaalsContact C-N 3.31Å; R312-I314 PolarHBondContact O-N 3.21Å; I314-K317 WeakPolarHBondContact O-CB 3.42Å; I314-K317 PolarHBondContact O-N 3.31Å; I314-R318 PolarHBondContact O-N 3.43Å
315E76Confident76Confident52 Ų5280.8 Ų80.824%0.24337%0.369CS..Hα-helixtrans-67.7-41.8178.9-175.854-150.800111.8L311 R312 K317 R318 Q319L311-E315 WeakPolarHBondContact O-CB 3.37Å; L311-E315 PolarHBondContact O-N 2.95Å; R312-E315 PolarHBondContact O-N 3.45Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.96Å; E315-R318 WeakPolarHBondContact O-CA 3.44Å; E315-R318 VanDerWaalsContact O-CB 3.24Å; E315-R318 WeakPolarHBondContact O-CB 3.39Å; E315-R318 PolarHBondContact O-N 3.18Å; E315-R318 IonicContact OE1-NE 3.32Å; E315-R318 IonicContact OE2-CZ 2.73Å; E315-R318 IonicContact OE2-NE 2.6Å; E315-R318 IonicContact OE2-NH1 3Å; E315-Q319 WeakPolarHBondContact O-CG 3.49Å; E315-Q319 PolarHBondContact O-N 2.92Å; E315-Q319 PolarHBondContact OE1-NE2 3Å
316E78.4Confident76.3Confident100 Ų10081.4 Ų81.447%0.46737%0.372SS..Hα-helixtrans-58.7-41.7173-75.1175-173.500111.6R312 K320R312-E316 HydrophobicContact CG-CG 4.47Å; R312-E316 WeakPolarHBondContact CG-OE1 3.16Å; R312-E316 IonicContact CZ-OE1 3.71Å; R312-E316 IonicContact NE-OE1 3.66Å; R312-E316 PolarHBondContact NE-OE1 3.05Å; R312-E316 IonicContact NH2-OE1 2.94Å; R312-E316 WeakPolarHBondContact O-CB 3.48Å; R312-E316 WeakPolarHBondContact O-CG 3.44Å; R312-E316 PolarHBondContact O-N 3.4Å; E316-K320 WeakPolarHBondContact O-CB 3.45Å; E316-K320 PolarHBondContact O-N 3.48Å
317K74.5Confident76.3Confident130 Ų13078.6 Ų78.657%0.56536%0.356SS*.Hα-helixtrans-64.7-38.4173.6-73.4175.1-178.2179.40112.2Y187 V313 I314 E315 K320 C321Y187-K317 HydrophobicContact CE2-CB 4.26Å; V313-K317 HydrophobicContact CG1-CD 4.45Å; V313-K317 WeakPolarHBondContact O-CG 3.41Å; V313-K317 PolarHBondContact O-N 2.79Å; I314-K317 WeakPolarHBondContact O-CB 3.42Å; I314-K317 PolarHBondContact O-N 3.31Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.96Å; K317-K320 PolarHBondContact O-N 3.35Å; K317-C321 WeakPolarHBondContact O-CB 3.24Å; K317-C321 PolarHBondContact O-N 2.94Å
318R75.2Confident76.2Confident133 Ų13378.4 Ų78.450%0.50236%0.355SS..Hα-helixtrans-59.4-52.5176.2-154.2178.197.8172.95.6111.2Y187 I314 E315 K320 C321 E322Y187-R318 HydrophobicContact CE1-CB 4.35Å; Y187-R318 HydrophobicContact CE1-CG 3.8Å; Y187-R318 WeakPolarHBondContact OH-CB 3.25Å; Y187-R318 WeakPolarHBondContact OH-CG 3.43Å; I314-R318 PolarHBondContact O-N 3.43Å; E315-R318 WeakPolarHBondContact O-CA 3.44Å; E315-R318 VanDerWaalsContact O-CB 3.24Å; E315-R318 WeakPolarHBondContact O-CB 3.39Å; E315-R318 PolarHBondContact O-N 3.18Å; E315-R318 IonicContact OE1-NE 3.32Å; E315-R318 IonicContact OE2-CZ 2.73Å; E315-R318 IonicContact OE2-NE 2.6Å; E315-R318 IonicContact OE2-NH1 3Å; R318-K320 VanDerWaalsContact C-N 3.3Å; R318-K320 PolarHBondContact O-N 2.68Å; R318-C321 PolarHBondContact O-N 3.43Å; R318-C321 VanDerWaalsContact O-N 3.15Å; R318-E322 PolarHBondContact O-N 3.32Å
319Q77.9Confident76.3Confident97 Ų9782.2 Ų82.245%0.45337%0.371SS..Hα-helixtrans-63.5-39.1-177.8-68.7177.912.400111.1E315 E322 K323E315-Q319 WeakPolarHBondContact O-CG 3.49Å; E315-Q319 PolarHBondContact O-N 2.92Å; E315-Q319 PolarHBondContact OE1-NE2 3Å; Q319-E322 PolarHBondContact O-N 3.09Å; Q319-K323 WeakPolarHBondContact O-CB 3.34Å; Q319-K323 VanDerWaalsContact O-CG 3.32Å; Q319-K323 WeakPolarHBondContact O-CG 3.48Å; Q319-K323 PolarHBondContact O-N 3.46Å
320K77.1Confident76.5Confident117 Ų11782.3 Ų82.351%0.50937%0.371SS..Hα-helixtrans-61.6-46.9172.8-175.5171.4-177.5173.50111.9E316 K317 R318 E322 K323 D324E316-K320 WeakPolarHBondContact O-CB 3.45Å; E316-K320 PolarHBondContact O-N 3.48Å; K317-K320 PolarHBondContact O-N 3.35Å; R318-K320 VanDerWaalsContact C-N 3.3Å; R318-K320 PolarHBondContact O-N 2.68Å; K320-E322 VanDerWaalsContact C-N 3.32Å; K320-E322 PolarHBondContact O-N 3.35Å; K320-K323 PolarHBondContact O-N 3.4Å; K320-D324 WeakPolarHBondContact O-CB 3.37Å; K320-D324 VanDerWaalsContact O-CG 3.29Å; K320-D324 PolarHBondContact O-N 2.87Å
321C72Confident76.4Confident40 Ų4077.8 Ų77.827%0.2735%0.352SS..Hα-helixtrans-64-37.1-179.8-165.10000112.4K317 R318 K325K317-C321 WeakPolarHBondContact O-CB 3.24Å; K317-C321 PolarHBondContact O-N 2.94Å; R318-C321 PolarHBondContact O-N 3.43Å; R318-C321 VanDerWaalsContact O-N 3.15Å; C321-K325 WeakPolarHBondContact O-CB 3.32Å; C321-K325 PolarHBondContact O-N 2.96Å
322E75.8Confident76.6Confident83 Ų8377.4 Ų77.439%0.38835%0.35SS..Hα-helixtrans-69.8-43.1177.4-167.260.5-148.900111.4R318 Q319 K320 D324 K325 E326R318-E322 PolarHBondContact O-N 3.32Å; Q319-E322 PolarHBondContact O-N 3.09Å; K320-E322 VanDerWaalsContact C-N 3.32Å; K320-E322 PolarHBondContact O-N 3.35Å; E322-D324 PolarHBondContact O-N 3.13Å; E322-K325 WeakPolarHBondContact O-CB 3.47Å; E322-K325 PolarHBondContact O-N 3.36Å; E322-K325 IonicContact OE1-NZ 3.88Å; E322-K325 PolarHBondContact OE1-NZ 3.01Å; E322-K325 IonicContact OE2-NZ 3.22Å; E322-K325 PolarHBondContact OE2-NZ 3.22Å; E322-E326 WeakPolarHBondContact O-CG 3.25Å; E322-E326 PolarHBondContact O-N 2.87Å
323K78.9Confident76.8Confident144 Ų14477 Ų7763%0.62635%0.354SS*.Hα-helixtrans-59.1-47.2173.7-75177.3-179.7179.30112.1Q319 K320 K325 E326 E327Q319-K323 WeakPolarHBondContact O-CB 3.34Å; Q319-K323 VanDerWaalsContact O-CG 3.32Å; Q319-K323 WeakPolarHBondContact O-CG 3.48Å; Q319-K323 PolarHBondContact O-N 3.46Å; K320-K323 PolarHBondContact O-N 3.4Å; K323-K325 VanDerWaalsContact C-N 3.3Å; K323-K325 PolarHBondContact O-N 3.31Å; K323-E326 PolarHBondContact O-N 3.26Å; K323-E327 PolarHBondContact O-N 3.08Å
324D73.2Confident77.1Confident20 Ų2079.2 Ų79.211%0.10736%0.363CS..Hα-helixtrans-61.4-40.3178.1-71.7-13.2000110.9K320 E322 E327 I328 S533K320-D324 WeakPolarHBondContact O-CB 3.37Å; K320-D324 VanDerWaalsContact O-CG 3.29Å; K320-D324 PolarHBondContact O-N 2.87Å; E322-D324 PolarHBondContact O-N 3.13Å; D324-E327 PolarHBondContact O-N 2.89Å; D324-I328 WeakPolarHBondContact O-CD1 3.35Å; D324-I328 WeakPolarHBondContact O-CG1 3.46Å; D324-I328 PolarHBondContact O-N 3.37Å; D324-S533 WeakPolarHBondContact OD1-CB 3.47Å; D324-S533 PolarHBondContact OD1-OG 3.15Å
325K75.3Confident77.3Confident62 Ų6279 Ų7927%0.2736%0.361SS..Hα-helixtrans-62.7-47.5176.1170.4-176.4156.2-135.20111.9I180 C321 E322 K323 E327 I328 M329I180-K325 HydrophobicContact CG2-CG 4.44Å; C321-K325 WeakPolarHBondContact O-CB 3.32Å; C321-K325 PolarHBondContact O-N 2.96Å; E322-K325 WeakPolarHBondContact O-CB 3.47Å; E322-K325 PolarHBondContact O-N 3.36Å; E322-K325 IonicContact OE1-NZ 3.88Å; E322-K325 PolarHBondContact OE1-NZ 3.01Å; E322-K325 IonicContact OE2-NZ 3.22Å; E322-K325 PolarHBondContact OE2-NZ 3.22Å; K323-K325 VanDerWaalsContact C-N 3.3Å; K323-K325 PolarHBondContact O-N 3.31Å; K325-E327 VanDerWaalsContact C-N 3.27Å; K325-E327 PolarHBondContact O-N 3.36Å; K325-I328 PolarHBondContact O-N 3.08Å; K325-M329 WeakPolarHBondContact O-CB 3.18Å; K325-M329 VanDerWaalsContact O-CG 3.28Å; K325-M329 WeakPolarHBondContact O-CG 3.34Å; K325-M329 PolarHBondContact O-N 3.38Å
326E79.1Confident77.7Confident97 Ų9779.4 Ų79.445%0.45336%0.363SS..Hα-helixtrans-58.7-41.7177.3-74.2-178.6-172.800111.8E322 K323 M329 K330E322-E326 WeakPolarHBondContact O-CG 3.25Å; E322-E326 PolarHBondContact O-N 2.87Å; K323-E326 PolarHBondContact O-N 3.26Å; E326-M329 PolarHBondContact O-N 3.25Å; E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 2.85Å
327E76.7Confident78.1Confident39 Ų3978.7 Ų78.718%0.18236%0.36CS..Hα-helixtrans-65.6-46.1177.9-169.6175.3-178.300112K323 D324 K325 M329 K330 V331 L530 N531K323-E327 PolarHBondContact O-N 3.08Å; D324-E327 PolarHBondContact O-N 2.89Å; K325-E327 VanDerWaalsContact C-N 3.27Å; K325-E327 PolarHBondContact O-N 3.36Å; E327-M329 VanDerWaalsContact C-N 3.29Å; E327-M329 PolarHBondContact O-N 2.69Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.11Å; E327-V331 PolarHBondContact O-N 3.39Å; E327-L530 HydrophobicContact CG-CD2 4.26Å; E327-N531 WeakPolarHBondContact OE1-CA 3.44Å; E327-N531 WeakPolarHBondContact OE1-CB 3.49Å; E327-N531 PolarHBondContact OE1-N 3.03Å; E327-N531 PolarHBondContact OE1-ND2 3Å
328I73.5Confident78.6Confident18 Ų1875 Ų759%0.09234%0.344CS..Hα-helixtrans-62.1-39.7177.2-61.6160.6000110.8I180 D324 K325 K330 V331 L332 L530I180-I328 HydrophobicContact CD1-CB 3.8Å; I180-I328 HydrophobicContact CD1-CD1 3.82Å; I180-I328 HydrophobicContact CD1-CG1 4.38Å; I180-I328 HydrophobicContact CD1-CG2 3.28Å; I180-I328 HydrophobicContact CG1-CD1 3.63Å; I180-I328 HydrophobicContact CG1-CG2 4.28Å; D324-I328 WeakPolarHBondContact O-CD1 3.35Å; D324-I328 WeakPolarHBondContact O-CG1 3.46Å; D324-I328 PolarHBondContact O-N 3.37Å; K325-I328 PolarHBondContact O-N 3.08Å; I328-K330 PolarHBondContact O-N 3.03Å; I328-V331 PolarHBondContact O-N 3.25Å; I328-L332 HydrophobicContact CG2-CD1 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.16Å; I328-L332 WeakPolarHBondContact O-CB 3.43Å; I328-L332 VanDerWaalsContact O-CG 3.26Å; I328-L332 WeakPolarHBondContact O-CG 3.45Å; I328-L332 PolarHBondContact O-N 2.91Å; I328-L530 HydrophobicContact CB-CD2 4.11Å; I328-L530 HydrophobicContact CG1-CD1 3.87Å; I328-L530 HydrophobicContact CG1-CD2 3.42Å; I328-L530 VanDerWaalsContact CG1-CD2 3.42Å; I328-L530 HydrophobicContact CG1-CG 4.3Å
329M77.6Confident79.1Confident111 Ų11169.3 Ų69.355%0.54732%0.323SS..Hα-helixtrans-63.9-39.1176.5-73.2-62.2-66.800112.5K325 E326 E327 L332 K333K325-M329 WeakPolarHBondContact O-CB 3.18Å; K325-M329 VanDerWaalsContact O-CG 3.28Å; K325-M329 WeakPolarHBondContact O-CG 3.34Å; K325-M329 PolarHBondContact O-N 3.38Å; E326-M329 PolarHBondContact O-N 3.25Å; E327-M329 VanDerWaalsContact C-N 3.29Å; E327-M329 PolarHBondContact O-N 2.69Å; M329-L332 PolarHBondContact O-N 3.28Å; M329-L332 HydrophobicContact SD-CD1 4.31Å; M329-K333 PolarHBondContact O-N 3.33Å
330K81Confident79.5Confident133 Ų13368.5 Ų68.558%0.57832%0.316SS*.Hα-helixtrans-62.7-47.2173.7-72.2168.1-174.4169.40111.1E326 E327 I328 L332 K333 I334E326-K330 WeakPolarHBondContact O-CG 3.36Å; E326-K330 PolarHBondContact O-N 2.85Å; E327-K330 WeakPolarHBondContact O-CB 3.48Å; E327-K330 PolarHBondContact O-N 3.11Å; I328-K330 PolarHBondContact O-N 3.03Å; K330-L332 PolarHBondContact O-N 2.84Å; K330-K333 PolarHBondContact O-N 3.48Å; K330-I334 WeakPolarHBondContact O-CG1 3.48Å; K330-I334 PolarHBondContact O-N 2.99Å; K330-I334 VanDerWaalsContact O-N 3.1Å
331V76Confident80.1Confident13 Ų1365.5 Ų65.58%0.07931%0.305CS..Hα-helixtrans-58.4-47175.9162.90000111.2E327 I328 K333 I334 M335 I528 L530E327-V331 PolarHBondContact O-N 3.39Å; I328-V331 PolarHBondContact O-N 3.25Å; V331-K333 VanDerWaalsContact C-N 3.28Å; V331-K333 PolarHBondContact O-N 3.42Å; V331-I334 PolarHBondContact O-N 3.35Å; V331-M335 HydrophobicContact CG1-CG 4.24Å; V331-M335 HydrophobicContact CG1-SD 3.78Å; V331-M335 WeakPolarHBondContact O-CB 3.25Å; V331-M335 VanDerWaalsContact O-CG 3.28Å; V331-M335 WeakPolarHBondContact O-CG 3.24Å; V331-M335 PolarHBondContact O-N 3.23Å; V331-I528 HydrophobicContact CB-CG2 4.22Å; V331-I528 HydrophobicContact CG1-CG2 3.51Å; V331-I528 HydrophobicContact CG2-CG2 3.89Å; V331-L530 HydrophobicContact CB-CD2 4.3Å; V331-L530 HydrophobicContact CG2-CD2 3.94Å
332L79.7Confident80.8Confident6 Ų663.9 Ų63.93%0.03130%0.295CS..Hα-helixtrans-61.7-34.1178.3-74.9177.6000113.1R173 V177 I328 M329 K330 M335 Q336R173-L332 HydrophobicContact CB-CD2 4.18Å; R173-L332 HydrophobicContact CG-CD2 3.71Å; V177-L332 HydrophobicContact CG2-CD1 3.72Å; I328-L332 HydrophobicContact CG2-CD1 4.04Å; I328-L332 HydrophobicContact CG2-CG 4.16Å; I328-L332 WeakPolarHBondContact O-CB 3.43Å; I328-L332 VanDerWaalsContact O-CG 3.26Å; I328-L332 WeakPolarHBondContact O-CG 3.45Å; I328-L332 PolarHBondContact O-N 2.91Å; M329-L332 PolarHBondContact O-N 3.28Å; M329-L332 HydrophobicContact SD-CD1 4.31Å; K330-L332 PolarHBondContact O-N 2.84Å; L332-M335 HydrophobicContact CD2-SD 4.48Å; L332-Q336 WeakPolarHBondContact O-CB 3.48Å; L332-Q336 WeakPolarHBondContact O-CG 3.43Å; L332-Q336 PolarHBondContact O-N 2.85Å; L332-Q336 PolarHBondContact O-NE2 2.76Å
333K83.4Confident81.6Confident158 Ų15860 Ų6069%0.68728%0.277SS*.Hα-helixtrans-68.1-44.9175.1-170176.4-179179.20111.3M329 K330 V331 M335 Q336 E337M329-K333 PolarHBondContact O-N 3.33Å; K330-K333 PolarHBondContact O-N 3.48Å; V331-K333 VanDerWaalsContact C-N 3.28Å; V331-K333 PolarHBondContact O-N 3.42Å; K333-M335 VanDerWaalsContact C-N 3.35Å; K333-M335 PolarHBondContact O-N 3.28Å; K333-Q336 PolarHBondContact O-N 2.7Å; K333-E337 PolarHBondContact O-N 3.04Å; K333-E337 VanDerWaalsContact O-N 3.08Å
334I83.2Confident82.1Confident89 Ų8957 Ų5746%0.45627%0.265SS..Hα-helixtrans-62.6-43.5176.4-64.4166.5000110.6K330 V331 Q336 E337 K338 I528K330-I334 WeakPolarHBondContact O-CG1 3.48Å; K330-I334 PolarHBondContact O-N 2.99Å; K330-I334 VanDerWaalsContact O-N 3.1Å; V331-I334 PolarHBondContact O-N 3.35Å; I334-Q336 PolarHBondContact O-N 2.9Å; I334-E337 PolarHBondContact O-N 2.93Å; I334-K338 PolarHBondContact O-N 3.11Å; I334-I528 HydrophobicContact CG2-CD1 3.93Å
335M79.9Confident83Confident17 Ų1757.7 Ų57.78%0.08427%0.268CS..Hα-helixtrans-61.9-42.5177.3-71.2178.777.600112.1Y169 V331 L332 K333 E337 K338 K339 I525 I528 F546Y169-M335 HydrophobicContact CD1-CE 4.31Å; V331-M335 HydrophobicContact CG1-CG 4.24Å; V331-M335 HydrophobicContact CG1-SD 3.78Å; V331-M335 WeakPolarHBondContact O-CB 3.25Å; V331-M335 VanDerWaalsContact O-CG 3.28Å; V331-M335 WeakPolarHBondContact O-CG 3.24Å; V331-M335 PolarHBondContact O-N 3.23Å; L332-M335 HydrophobicContact CD2-SD 4.48Å; K333-M335 VanDerWaalsContact C-N 3.35Å; K333-M335 PolarHBondContact O-N 3.28Å; M335-E337 VanDerWaalsContact C-N 3.35Å; M335-K338 PolarHBondContact O-N 3.28Å; M335-K339 WeakPolarHBondContact O-CB 3.46Å; M335-K339 PolarHBondContact O-N 3.32Å; M335-I525 HydrophobicContact CE-CG2 3.59Å; M335-I525 HydrophobicContact CG-CG2 4.17Å; M335-I528 HydrophobicContact CG-CD1 3.79Å; M335-F546 HydrophobicContact SD-CE2 4.5Å
336Q83.4Confident83.7Confident60 Ų6054.8 Ų54.828%0.2826%0.256SS..Hα-helixtrans-61.7-42.4176-84.4175.597.300112.3R173 L332 K333 I334 K339 R340R173-Q336 VanDerWaalsContact NH2-NE2 3.12Å; L332-Q336 WeakPolarHBondContact O-CB 3.48Å; L332-Q336 WeakPolarHBondContact O-CG 3.43Å; L332-Q336 PolarHBondContact O-N 2.85Å; L332-Q336 PolarHBondContact O-NE2 2.76Å; K333-Q336 PolarHBondContact O-N 2.7Å; I334-Q336 PolarHBondContact O-N 2.9Å; Q336-K339 WeakPolarHBondContact O-CB 3.12Å; Q336-K339 PolarHBondContact O-N 2.84Å; Q336-R340 PolarHBondContact O-N 2.98Å
337E86.3Confident84.4Confident85 Ų8550.9 Ų50.940%0.39724%0.238SC..Hα-helixtrans-65.9-43.5178.5-175.859.7-167.200111.7K333 I334 M335 K339 R340 N341K333-E337 PolarHBondContact O-N 3.04Å; K333-E337 VanDerWaalsContact O-N 3.08Å; I334-E337 PolarHBondContact O-N 2.93Å; M335-E337 VanDerWaalsContact C-N 3.35Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.31Å; E337-R340 PolarHBondContact O-N 3.32Å; E337-R340 IonicContact OE1-CZ 3.28Å; E337-R340 IonicContact OE1-NE 3.72Å; E337-R340 IonicContact OE1-NH2 2.75Å; E337-R340 PolarHBondContact OE1-NH2 3.32Å; E337-R340 IonicContact OE2-CZ 2.72Å; E337-R340 IonicContact OE2-NE 3.41Å; E337-R340 PolarHBondContact OE2-NE 3.42Å; E337-R340 IonicContact OE2-NH2 3.52Å; E337-N341 PolarHBondContact O-N 3.08Å; E337-N341 PolarHBondContact O-ND2 3.4Å
338K85Confident85.2Confident54 Ų5456 Ų5624%0.23526%0.263CS..Hα-helixtrans-62-37.6173.7-71.6-163.1-179.6-168.20112I334 M335 A342 I521 D524 I525 I528I334-K338 PolarHBondContact O-N 3.11Å; M335-K338 PolarHBondContact O-N 3.28Å; K338-A342 PolarHBondContact O-N 2.83Å; K338-I521 HydrophobicContact CB-CG2 4.06Å; K338-I521 WeakPolarHBondContact O-CG2 3.46Å; K338-D524 HydrophobicContact CD-CB 4.25Å; K338-D524 VanDerWaalsContact NZ-CB 3.31Å; K338-D524 IonicContact NZ-OD2 3.39Å; K338-D524 PolarHBondContact NZ-OD2 3.12Å; K338-I525 HydrophobicContact CB-CD1 3.75Å; K338-I525 HydrophobicContact CB-CG1 3.64Å; K338-I525 HydrophobicContact CD-CG1 3.82Å; K338-I525 HydrophobicContact CG-CG1 4.34Å; K338-I528 HydrophobicContact CD-CD1 4.44Å
339K85.3Confident86.1Confident13 Ų1355.5 Ų55.56%0.05726%0.261CS..Hα-helixtrans-63.2-49.2173.8178.5-174.9171.7-176.40111.3E161 D170 M335 Q336 E337 N341 A342 L343 L378E161-K339 WeakPolarHBondContact OE1-CE 3.41Å; E161-K339 IonicContact OE1-NZ 3.73Å; E161-K339 PolarHBondContact OE1-NZ 2.99Å; D170-K339 IonicContact OD1-NZ 3.76Å; D170-K339 PolarHBondContact OD1-NZ 3.32Å; D170-K339 IonicContact OD2-NZ 3.89Å; D170-K339 PolarHBondContact OD2-NZ 3.49Å; M335-K339 WeakPolarHBondContact O-CB 3.46Å; M335-K339 PolarHBondContact O-N 3.32Å; Q336-K339 WeakPolarHBondContact O-CB 3.12Å; Q336-K339 PolarHBondContact O-N 2.84Å; E337-K339 VanDerWaalsContact C-N 3.29Å; E337-K339 PolarHBondContact O-N 3.31Å; K339-N341 VanDerWaalsContact C-N 3.29Å; K339-N341 PolarHBondContact O-N 3.49Å; K339-A342 WeakPolarHBondContact O-CB 3.17Å; K339-A342 PolarHBondContact O-N 3.5Å; K339-A342 VanDerWaalsContact O-N 3.11Å; K339-L343 HydrophobicContact CG-CD1 4.04Å; K339-L343 HydrophobicContact CG-CG 4.46Å; K339-L343 WeakPolarHBondContact O-CG 3.16Å; K339-L343 PolarHBondContact O-N 3.29Å; K339-L378 HydrophobicContact CD-CD2 4.16Å; K339-L378 HydrophobicContact CG-CD2 4.45Å
340R88.3Confident86.9Confident79 Ų7950.2 Ų50.230%0.29824%0.235SC..Hα-helixtrans-53.7-49177.4-175-179.773.689.1-2.4110.6Q336 E337 A342 L343 E344 I377Q336-R340 PolarHBondContact O-N 2.98Å; E337-R340 PolarHBondContact O-N 3.32Å; E337-R340 IonicContact OE1-CZ 3.28Å; E337-R340 IonicContact OE1-NE 3.72Å; E337-R340 IonicContact OE1-NH2 2.75Å; E337-R340 PolarHBondContact OE1-NH2 3.32Å; E337-R340 IonicContact OE2-CZ 2.72Å; E337-R340 IonicContact OE2-NE 3.41Å; E337-R340 PolarHBondContact OE2-NE 3.42Å; E337-R340 IonicContact OE2-NH2 3.52Å; R340-A342 VanDerWaalsContact C-N 3.34Å; R340-A342 PolarHBondContact O-N 3.01Å; R340-L343 PolarHBondContact O-N 3.38Å; R340-L343 VanDerWaalsContact O-N 3.15Å; R340-E344 WeakPolarHBondContact CG-OE1 3.38Å; R340-E344 IonicContact CZ-OE1 2.73Å; R340-E344 IonicContact NH1-OE1 2.98Å; R340-E344 PolarHBondContact NH1-OE1 2.9Å; R340-E344 IonicContact NH1-OE2 3.78Å; R340-E344 WeakPolarHBondContact O-CG 3.43Å; R340-E344 PolarHBondContact O-N 2.93Å; R340-I377 HydrophobicContact CG-CG2 3.97Å
341N88.5Confident87.6Confident54 Ų5445.5 Ų45.529%0.28922%0.216SC..Hα-helixtrans-61.1-40.9178-65.8-18.5000112.6E337 K339 I345E337-N341 PolarHBondContact O-N 3.08Å; E337-N341 PolarHBondContact O-ND2 3.4Å; K339-N341 VanDerWaalsContact C-N 3.29Å; K339-N341 PolarHBondContact O-N 3.49Å; N341-I345 WeakPolarHBondContact O-CD1 3.47Å; N341-I345 VanDerWaalsContact O-CG1 3.24Å; N341-I345 WeakPolarHBondContact O-CG1 3Å; N341-I345 PolarHBondContact O-N 3.2Å; N341-I345 VanDerWaalsContact O-N 3.16Å
342A87.7Confident88.4Confident7 Ų750.5 Ų50.56%0.05824%0.237CC..Hα-helixtrans-63.7-41.5175.600000112.1K338 K339 R340 A346 L518 I521K338-A342 PolarHBondContact O-N 2.83Å; K339-A342 WeakPolarHBondContact O-CB 3.17Å; K339-A342 PolarHBondContact O-N 3.5Å; K339-A342 VanDerWaalsContact O-N 3.11Å; R340-A342 VanDerWaalsContact C-N 3.34Å; R340-A342 PolarHBondContact O-N 3.01Å; A342-A346 WeakPolarHBondContact O-CB 3.34Å; A342-A346 PolarHBondContact O-N 3.33Å; A342-L518 HydrophobicContact CB-CD2 3.74Å; A342-L518 VanDerWaalsContact O-CD2 3.25Å; A342-L518 WeakPolarHBondContact O-CD2 3.27Å; A342-I521 HydrophobicContact CB-CD1 4.34Å; A342-I521 HydrophobicContact CB-CG2 4.09Å
343L90.8Very high89Confident1 Ų150.7 Ų50.71%0.00524%0.238CC..Hα-helixtrans-68.3-40.7178.5-71.4172.4000112.4L157 I160 E161 T164 K339 R340 A346 L347 I377 L378L157-L343 HydrophobicContact CD1-CD1 4.06Å; L157-L343 HydrophobicContact CD1-CD2 4.35Å; I160-L343 HydrophobicContact CG2-CD2 4.02Å; E161-L343 HydrophobicContact CG-CD1 4.35Å; E161-L343 HydrophobicContact CG-CD2 3.81Å; T164-L343 HydrophobicContact CG2-CD2 4.44Å; K339-L343 HydrophobicContact CG-CD1 4.04Å; K339-L343 HydrophobicContact CG-CG 4.46Å; K339-L343 WeakPolarHBondContact O-CG 3.16Å; K339-L343 PolarHBondContact O-N 3.29Å; R340-L343 PolarHBondContact O-N 3.38Å; R340-L343 VanDerWaalsContact O-N 3.15Å; L343-A346 PolarHBondContact O-N 3.01Å; L343-L347 WeakPolarHBondContact O-CB 3.47Å; L343-L347 PolarHBondContact O-N 3.5Å; L343-I377 HydrophobicContact CB-CD1 4.08Å; L343-L378 HydrophobicContact CD1-CD2 3.59Å
344E91.2Very high89.6Confident81 Ų8143.1 Ų43.138%0.37921%0.205SC..Hα-helixtrans-62.7-44.7177.2-75.3174.8-174.100112R340 A346 L347 M348 I377R340-E344 WeakPolarHBondContact CG-OE1 3.38Å; R340-E344 IonicContact CZ-OE1 2.73Å; R340-E344 IonicContact NH1-OE1 2.98Å; R340-E344 PolarHBondContact NH1-OE1 2.9Å; R340-E344 IonicContact NH1-OE2 3.78Å; R340-E344 WeakPolarHBondContact O-CG 3.43Å; R340-E344 PolarHBondContact O-N 2.93Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 3.15Å; E344-L347 PolarHBondContact O-N 2.81Å; E344-M348 WeakPolarHBondContact O-CB 3.46Å; E344-M348 PolarHBondContact O-N 2.73Å; E344-I377 HydrophobicContact CG-CD1 4.29Å
345I91Very high90.2Very high35 Ų3541 Ų4118%0.17919%0.194CC..Hα-helixtrans-61.2-44175.6-68.9164.5000110.5N341 Q349 V514 K517 L518 I521N341-I345 WeakPolarHBondContact O-CD1 3.47Å; N341-I345 VanDerWaalsContact O-CG1 3.24Å; N341-I345 WeakPolarHBondContact O-CG1 3Å; N341-I345 PolarHBondContact O-N 3.2Å; N341-I345 VanDerWaalsContact O-N 3.16Å; I345-Q349 PolarHBondContact O-N 3.32Å; I345-V514 HydrophobicContact CG2-CG1 3.73Å; I345-K517 HydrophobicContact CD1-CD 3.86Å; I345-K517 HydrophobicContact CD1-CG 4.31Å; I345-L518 HydrophobicContact CB-CD2 4.3Å; I345-L518 HydrophobicContact CG2-CD2 4.2Å; I345-L518 HydrophobicContact CG2-CG 4.41Å; I345-I521 HydrophobicContact CD1-CD1 3.96Å
346A91.1Very high90.7Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-66.2-46.9179.300000112.2I160 T164 A342 L343 E344 M348 Q349 I350 F417 L518I160-A346 HydrophobicContact CG2-CB 4.16Å; T164-A346 HydrophobicContact CG2-CB 3.23Å; A342-A346 WeakPolarHBondContact O-CB 3.34Å; A342-A346 PolarHBondContact O-N 3.33Å; L343-A346 PolarHBondContact O-N 3.01Å; E344-A346 VanDerWaalsContact C-N 3.32Å; E344-A346 PolarHBondContact O-N 3.15Å; A346-M348 VanDerWaalsContact C-N 3.29Å; A346-M348 PolarHBondContact O-N 2.96Å; A346-Q349 PolarHBondContact O-N 3.42Å; A346-I350 HydrophobicContact CB-CD1 4.41Å; A346-I350 WeakPolarHBondContact O-CB 3.34Å; A346-I350 WeakPolarHBondContact O-CD1 3.31Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.45Å; A346-I350 PolarHBondContact O-N 3.15Å; A346-F417 HydrophobicContact CB-CE1 4.28Å; A346-F417 HydrophobicContact CB-CE2 3.89Å; A346-F417 HydrophobicContact CB-CZ 3.45Å; A346-F417 VanDerWaalsContact CB-CZ 3.45Å; A346-L518 HydrophobicContact CB-CD1 4.47Å
347L93.6Very high91.1Very high16 Ų1639.4 Ų39.48%0.08419%0.194CC..Hα-helixtrans-58.9-42178.6-178.463.9000111.1I160 L343 E344 Q349 I350 N351 L369 P371 I377 L381I160-L347 HydrophobicContact CD1-CD1 4.03Å; L343-L347 WeakPolarHBondContact O-CB 3.47Å; L343-L347 PolarHBondContact O-N 3.5Å; E344-L347 PolarHBondContact O-N 2.81Å; L347-Q349 PolarHBondContact O-N 2.78Å; L347-I350 PolarHBondContact O-N 3.38Å; L347-N351 VanDerWaalsContact O-CB 3.25Å; L347-N351 WeakPolarHBondContact O-CB 3.42Å; L347-N351 PolarHBondContact O-N 3.35Å; L347-L369 HydrophobicContact CD1-CB 3.58Å; L347-L369 HydrophobicContact CD1-CD1 4.14Å; L347-P371 HydrophobicContact CD2-CG 4.46Å; L347-I377 HydrophobicContact CB-CD1 4.34Å; L347-I377 HydrophobicContact CD2-CD1 3.62Å; L347-L381 HydrophobicContact CD1-CD1 4.04Å; L347-L381 HydrophobicContact CD1-CD2 4.23Å; L347-L381 HydrophobicContact CD2-CD2 3.96Å
348M92.8Very high91.4Very high145 Ų14535.3 Ų35.371%0.71418%0.175SC*.Hα-helixtrans-59.3-46.6176.2-175.3-176.818000111.8E344 A346 K352E344-M348 WeakPolarHBondContact O-CB 3.46Å; E344-M348 PolarHBondContact O-N 2.73Å; A346-M348 VanDerWaalsContact C-N 3.29Å; A346-M348 PolarHBondContact O-N 2.96Å; M348-K352 PolarHBondContact O-N 2.95Å
349Q92Very high91.6Very high8 Ų835.4 Ų35.44%0.03718%0.178CC..Hα-helixtrans-68.6-44.8178.8-179.256.737.600112I345 A346 L347 N351 K352 D353 F417 F510 V514I345-Q349 PolarHBondContact O-N 3.32Å; A346-Q349 PolarHBondContact O-N 3.42Å; L347-Q349 PolarHBondContact O-N 2.78Å; Q349-N351 VanDerWaalsContact C-N 3.34Å; Q349-N351 PolarHBondContact O-N 2.81Å; Q349-K352 WeakPolarHBondContact O-CB 3.11Å; Q349-K352 PolarHBondContact O-N 3.43Å; Q349-D353 VanDerWaalsContact NE2-CG 3.3Å; Q349-D353 PolarHBondContact NE2-OD1 2.82Å; Q349-D353 PolarHBondContact NE2-OD2 2.87Å; Q349-D353 PolarHBondContact O-N 3.08Å; Q349-F417 HydrophobicContact CB-CD2 4.22Å; Q349-F417 HydrophobicContact CB-CE2 4.23Å; Q349-F417 HydrophobicContact CG-CD2 3.98Å; Q349-F417 HydrophobicContact CG-CE2 4.37Å; Q349-F510 VanDerWaalsContact OE1-CD1 3.3Å; Q349-V514 HydrophobicContact CB-CG1 4.37Å
350I94.5Very high91.7Very high0 Ų037.5 Ų37.50%019%0.189CC..Hα-helixtrans-61.5-44179-70161.8000110.2I160 A346 L347 K352 D353 F354 L369 L410 A413 M414 F417I160-I350 HydrophobicContact CB-CD1 4.5Å; I160-I350 HydrophobicContact CD1-CD1 4.01Å; I160-I350 HydrophobicContact CG1-CD1 4.12Å; I160-I350 HydrophobicContact CG2-CD1 3.82Å; A346-I350 HydrophobicContact CB-CD1 4.41Å; A346-I350 WeakPolarHBondContact O-CB 3.34Å; A346-I350 WeakPolarHBondContact O-CD1 3.31Å; A346-I350 VanDerWaalsContact O-CG1 3.28Å; A346-I350 WeakPolarHBondContact O-CG1 3.45Å; A346-I350 PolarHBondContact O-N 3.15Å; L347-I350 PolarHBondContact O-N 3.38Å; I350-K352 VanDerWaalsContact C-N 3.33Å; I350-K352 PolarHBondContact O-N 3.04Å; I350-D353 PolarHBondContact O-N 3.33Å; I350-F354 WeakPolarHBondContact O-CB 3.43Å; I350-F354 PolarHBondContact O-N 3.04Å; I350-L369 HydrophobicContact CG2-CD1 3.94Å; I350-L410 HydrophobicContact CG2-CD1 4.46Å; I350-A413 HydrophobicContact CG2-CB 4.41Å; I350-M414 HydrophobicContact CD1-CE 4.4Å; I350-M414 HydrophobicContact CD1-SD 3.62Å; I350-M414 HydrophobicContact CG1-SD 4.09Å; I350-M414 HydrophobicContact CG2-SD 4.02Å; I350-F417 HydrophobicContact CD1-CD1 4.25Å; I350-F417 HydrophobicContact CD1-CD2 4.26Å; I350-F417 HydrophobicContact CD1-CG 4.1Å; I350-F417 HydrophobicContact CG1-CB 3.96Å; I350-F417 HydrophobicContact CG1-CD1 4.45Å; I350-F417 HydrophobicContact CG1-CD2 3.78Å; I350-F417 HydrophobicContact CG1-CE2 4.38Å; I350-F417 HydrophobicContact CG1-CG 3.8Å
351N95.6Very high91.6Very high35 Ų3533.8 Ų33.819%0.18718%0.175CC..Hα-helixtrans-61.6-40.1177.3-83.9-19.2000112.7L347 Q349 F354 D355 L369L347-N351 VanDerWaalsContact O-CB 3.25Å; L347-N351 WeakPolarHBondContact O-CB 3.42Å; L347-N351 PolarHBondContact O-N 3.35Å; Q349-N351 VanDerWaalsContact C-N 3.34Å; Q349-N351 PolarHBondContact O-N 2.81Å; N351-F354 PolarHBondContact O-N 3.5Å; N351-D355 WeakPolarHBondContact O-CB 2.82Å; N351-D355 PolarHBondContact O-N 3.32Å; N351-L369 PolarHBondContact ND2-O 2.71Å; N351-L369 WeakPolarHBondContact OD1-CA 3.44Å; N351-L369 VanDerWaalsContact OD1-CB 3.27Å; N351-L369 WeakPolarHBondContact OD1-CB 3.07Å; N351-L369 PolarHBondContact OD1-N 2.94Å
352K93.7Very high91.5Very high118 Ų11832.2 Ų32.251%0.51317%0.166SC..Hα-helixtrans-61.9-47.7175.8-176.7-176.8176.3-175.10111.4M348 Q349 I350 F354 A356M348-K352 PolarHBondContact O-N 2.95Å; Q349-K352 WeakPolarHBondContact O-CB 3.11Å; Q349-K352 PolarHBondContact O-N 3.43Å; I350-K352 VanDerWaalsContact C-N 3.33Å; I350-K352 PolarHBondContact O-N 3.04Å; K352-F354 VanDerWaalsContact C-N 3.35Å; K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.47Å; K352-A356 PolarHBondContact O-N 3.44Å; K352-A356 VanDerWaalsContact O-N 3.12Å
353D92.8Very high91.3Very high9 Ų935.1 Ų35.15%0.04819%0.185CC..Hα-helixtrans-69-35.6179.2-71-33.1000111.6Q349 I350 A356 I357 A413 L416 R511Q349-D353 VanDerWaalsContact NE2-CG 3.3Å; Q349-D353 PolarHBondContact NE2-OD1 2.82Å; Q349-D353 PolarHBondContact NE2-OD2 2.87Å; Q349-D353 PolarHBondContact O-N 3.08Å; I350-D353 PolarHBondContact O-N 3.33Å; D353-A356 PolarHBondContact O-N 2.87Å; D353-I357 WeakPolarHBondContact O-CB 3.32Å; D353-I357 WeakPolarHBondContact O-CD1 3.41Å; D353-I357 VanDerWaalsContact O-CG1 3.27Å; D353-I357 WeakPolarHBondContact O-CG1 3.25Å; D353-I357 PolarHBondContact O-N 3.19Å; D353-A413 HydrophobicContact CB-CB 4.17Å; D353-L416 HydrophobicContact CB-CD1 4.28Å; D353-R511 IonicContact OD1-CZ 3.58Å; D353-R511 IonicContact OD1-NE 3.03Å; D353-R511 PolarHBondContact OD1-NE 2.96Å; D353-R511 IonicContact OD1-NH2 2.69Å; D353-R511 PolarHBondContact OD1-NH2 2.82Å; D353-R511 IonicContact OD2-CZ 3.06Å; D353-R511 IonicContact OD2-NE 2.67Å; D353-R511 PolarHBondContact OD2-NE 3.2Å; D353-R511 IonicContact OD2-NH2 3.4Å
354F95.5Very high91.1Very high0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-64.4-49.2178.7-177.4-151.7000111.9I350 N351 K352 I357 M358 V367 L369 I383 V406 A409 L410 A413I350-F354 WeakPolarHBondContact O-CB 3.43Å; I350-F354 PolarHBondContact O-N 3.04Å; N351-F354 PolarHBondContact O-N 3.5Å; K352-F354 VanDerWaalsContact C-N 3.35Å; F354-I357 PolarHBondContact O-N 3.1Å; F354-M358 WeakPolarHBondContact O-CB 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å; F354-V367 HydrophobicContact CB-CG2 4.47Å; F354-V367 HydrophobicContact CD1-CB 4.04Å; F354-V367 HydrophobicContact CD1-CG2 3.68Å; F354-V367 HydrophobicContact CD2-CB 4.44Å; F354-V367 HydrophobicContact CD2-CG2 3.55Å; F354-V367 HydrophobicContact CE1-CB 3.6Å; F354-V367 HydrophobicContact CE1-CG2 3.7Å; F354-V367 HydrophobicContact CE2-CB 4.03Å; F354-V367 HydrophobicContact CE2-CG1 4.49Å; F354-V367 HydrophobicContact CE2-CG2 3.53Å; F354-V367 HydrophobicContact CG-CB 4.44Å; F354-V367 HydrophobicContact CG-CG2 3.62Å; F354-V367 HydrophobicContact CZ-CB 3.59Å; F354-V367 HydrophobicContact CZ-CG1 4.15Å; F354-V367 HydrophobicContact CZ-CG2 3.62Å; F354-L369 HydrophobicContact CD1-CG 4.25Å; F354-L369 HydrophobicContact CE1-CD2 4.3Å; F354-L369 HydrophobicContact CE1-CG 4.29Å; F354-I383 HydrophobicContact CE1-CG2 4.17Å; F354-I383 HydrophobicContact CZ-CG2 4.07Å; F354-V406 WeakPolarHBondContact CE2-O 3.4Å; F354-V406 HydrophobicContact CZ-CG1 4.05Å; F354-A409 HydrophobicContact CD2-CB 3.92Å; F354-A409 HydrophobicContact CE2-CB 3.77Å; F354-L410 HydrophobicContact CD2-CB 4.17Å; F354-L410 HydrophobicContact CE2-CB 3.72Å; F354-L410 VanDerWaalsContact CE2-N 3.29Å; F354-L410 HydrophobicContact CZ-CB 3.97Å; F354-A413 HydrophobicContact CB-CB 3.81Å
355D94.6Very high91.1Very high44 Ų4438 Ų3824%0.23520%0.203CC..Hα-helixtrans-65.7-39.6176.4-167.871.3000111.6N351 M358 N359 N366 V367N351-D355 WeakPolarHBondContact O-CB 2.82Å; N351-D355 PolarHBondContact O-N 3.32Å; D355-M358 PolarHBondContact O-N 3.22Å; D355-N359 WeakPolarHBondContact O-CB 3.33Å; D355-N359 PolarHBondContact O-N 3.11Å; D355-N359 PolarHBondContact O-ND2 3.49Å; D355-N359 PolarHBondContact OD2-ND2 2.92Å; D355-N366 VanDerWaalsContact OD1-CA 3.26Å; D355-N366 WeakPolarHBondContact OD1-CA 3.43Å; D355-N366 WeakPolarHBondContact OD1-CB 3.38Å; D355-N366 PolarHBondContact OD1-ND2 3.25Å; D355-N366 PolarHBondContact OD2-ND2 3.37Å; D355-V367 PolarHBondContact OD1-N 3Å
356A90.8Very high91.3Very high42 Ų4239 Ų3935%0.34721%0.209SC..Hα-helixtrans-62.9-45.1176.800000112.7K352 D353 I360K352-A356 VanDerWaalsContact O-CB 3.31Å; K352-A356 WeakPolarHBondContact O-CB 3.47Å; K352-A356 PolarHBondContact O-N 3.44Å; K352-A356 VanDerWaalsContact O-N 3.12Å; D353-A356 PolarHBondContact O-N 2.87Å; A356-I360 WeakPolarHBondContact O-CG1 3.23Å; A356-I360 PolarHBondContact O-N 3.15Å
357I91.7Very high91.5Very high1 Ų139.2 Ų39.21%0.00521%0.21CC..Hα-helixtrans-64.8-43176.3-73.1162.2000110.5D353 F354 N359 I360 M361 A409 F412 A413 L416 M443D353-I357 WeakPolarHBondContact O-CB 3.32Å; D353-I357 WeakPolarHBondContact O-CD1 3.41Å; D353-I357 VanDerWaalsContact O-CG1 3.27Å; D353-I357 WeakPolarHBondContact O-CG1 3.25Å; D353-I357 PolarHBondContact O-N 3.19Å; F354-I357 PolarHBondContact O-N 3.1Å; I357-N359 PolarHBondContact O-N 3.33Å; I357-I360 PolarHBondContact O-N 3.46Å; I357-M361 HydrophobicContact CG2-CE 3.66Å; I357-M361 HydrophobicContact CG2-CG 4.49Å; I357-M361 HydrophobicContact CG2-SD 4.26Å; I357-M361 WeakPolarHBondContact O-CG 3.24Å; I357-M361 PolarHBondContact O-N 3.03Å; I357-M361 VanDerWaalsContact O-N 3.14Å; I357-A409 HydrophobicContact CB-CB 4.49Å; I357-A409 HydrophobicContact CG2-CB 3.77Å; I357-F412 HydrophobicContact CD1-CB 3.63Å; I357-F412 HydrophobicContact CG2-CB 4.32Å; I357-A413 HydrophobicContact CD1-CB 4.1Å; I357-A413 VanDerWaalsContact CD1-N 3.34Å; I357-L416 HydrophobicContact CD1-CD1 3.54Å; I357-L416 HydrophobicContact CD1-CG 4.45Å; I357-L416 HydrophobicContact CG1-CD1 4.18Å; I357-M443 HydrophobicContact CG1-SD 4.29Å; I357-M443 HydrophobicContact CG2-SD 3.6Å
358M92.8Very high91.6Very high0 Ų041.8 Ų41.80%022%0.221CC..Hα-helixtrans-61.4-46.2-179.9-172.367.2179.100111.7F354 D355 I360 M361 L362 V365 V367 V406 A409F354-M358 WeakPolarHBondContact O-CB 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å; D355-M358 PolarHBondContact O-N 3.22Å; M358-I360 PolarHBondContact O-N 3.35Å; M358-M361 PolarHBondContact O-N 2.84Å; M358-L362 HydrophobicContact CE-CB 4.06Å; M358-L362 HydrophobicContact CE-CD1 3.56Å; M358-L362 HydrophobicContact CE-CG 4.36Å; M358-L362 CarbonylContact O-C 3.49Å; M358-L362 PolarHBondContact O-N 3.43Å; M358-V365 HydrophobicContact CE-CB 3.91Å; M358-V365 HydrophobicContact CE-CG1 3.4Å; M358-V365 HydrophobicContact CG-CB 4.43Å; M358-V365 HydrophobicContact CG-CG1 4.34Å; M358-V367 HydrophobicContact CB-CB 4.5Å; M358-V367 HydrophobicContact CB-CG1 4.3Å; M358-V367 HydrophobicContact CB-CG2 3.43Å; M358-V367 VanDerWaalsContact CB-CG2 3.43Å; M358-V367 HydrophobicContact CE-CG1 4.27Å; M358-V367 HydrophobicContact CG-CB 4.42Å; M358-V367 HydrophobicContact CG-CG1 3.72Å; M358-V367 HydrophobicContact CG-CG2 3.83Å; M358-V367 HydrophobicContact SD-CG1 4.17Å; M358-V406 HydrophobicContact CE-CG2 3.64Å; M358-V406 HydrophobicContact SD-CG2 4.25Å; M358-A409 HydrophobicContact CB-CB 4.41Å; M358-A409 HydrophobicContact SD-CB 4.17Å
359N90.1Very high91.7Very high56 Ų5635 Ų3530%0.29919%0.187SC..Hα-helixtrans-59.9-30.8178.4-77.9-45.9000113D355 I357 L362 V365D355-N359 WeakPolarHBondContact O-CB 3.33Å; D355-N359 PolarHBondContact O-N 3.11Å; D355-N359 PolarHBondContact O-ND2 3.49Å; D355-N359 PolarHBondContact OD2-ND2 2.92Å; I357-N359 PolarHBondContact O-N 3.33Å; N359-L362 CarbonylContact O-C 3.44Å; N359-V365 PolarHBondContact OD1-O 3.38Å
360I86.4Confident91.8Very high56 Ų5636.1 Ų36.129%0.28719%0.194SC..Hα-helixtrans-70-42.5173.7-66.8163.3000110.9A356 I357 M358 M443A356-I360 WeakPolarHBondContact O-CG1 3.23Å; A356-I360 PolarHBondContact O-N 3.15Å; I357-I360 PolarHBondContact O-N 3.46Å; M358-I360 PolarHBondContact O-N 3.35Å; I360-M443 HydrophobicContact CG2-CB 4.2Å; I360-M443 HydrophobicContact CG2-CG 4.34Å
361M86.3Confident91.8Very high1 Ų138 Ų381%0.00521%0.207CC..Hα-helixtrans-73.5-43.9-178.5-65.6-170.9-179.900112.2I357 M358 L405 L408 A409 F412 R439 I440 M443I357-M361 HydrophobicContact CG2-CE 3.66Å; I357-M361 HydrophobicContact CG2-CG 4.49Å; I357-M361 HydrophobicContact CG2-SD 4.26Å; I357-M361 WeakPolarHBondContact O-CG 3.24Å; I357-M361 PolarHBondContact O-N 3.03Å; I357-M361 VanDerWaalsContact O-N 3.14Å; M358-M361 PolarHBondContact O-N 2.84Å; M361-L405 HydrophobicContact CB-CD2 4.48Å; M361-L405 HydrophobicContact SD-CD2 4Å; M361-L408 HydrophobicContact CE-CD2 4.36Å; M361-L408 HydrophobicContact CE-CG 4.39Å; M361-A409 HydrophobicContact SD-CB 4.31Å; M361-F412 HydrophobicContact CE-CD2 3.54Å; M361-F412 HydrophobicContact CE-CE2 3.74Å; M361-R439 WeakPolarHBondContact O-CD 3.4Å; M361-R439 PolarHBondContact O-NH1 2.94Å; M361-I440 HydrophobicContact CE-CG1 3.83Å; M361-I440 HydrophobicContact SD-CG1 4.17Å; M361-M443 HydrophobicContact CE-CE 4.14Å; M361-M443 HydrophobicContact CE-SD 3.42Å; M361-M443 WeakPolarHBondContact CE-SD 3.46Å
362L86Confident91.7Very high21 Ų2140.1 Ų40.111%0.1122%0.221CC..SBendtrans-139.199.1-177.2-76.1174.6000109.5M358 N359 V365 Q402 L405 H436M358-L362 HydrophobicContact CE-CB 4.06Å; M358-L362 HydrophobicContact CE-CD1 3.56Å; M358-L362 HydrophobicContact CE-CG 4.36Å; M358-L362 CarbonylContact O-C 3.49Å; M358-L362 PolarHBondContact O-N 3.43Å; N359-L362 CarbonylContact O-C 3.44Å; L362-V365 HydrophobicContact CB-CB 4.19Å; L362-V365 HydrophobicContact CB-CG2 3.95Å; L362-V365 PolarHBondContact O-N 3.5Å; L362-Q402 HydrophobicContact CD1-CG 4.38Å; L362-L405 HydrophobicContact CD1-CB 4.21Å; L362-L405 HydrophobicContact CD1-CD1 3.53Å; L362-L405 HydrophobicContact CD2-CD1 4.23Å; L362-L405 HydrophobicContact CG-CD1 3.8Å; L362-H436 WeakPolarHBondContact CD2-CE1 3.42Å
363P84.5Confident91.5Very high69 Ų6936.6 Ų36.645%0.44821%0.208SC..THydrogen-bonded Turntrans-55.4150171.3-24.734.3000111.7V365P363-V365 PolarHBondContact O-N 2.91Å
364D86.7Confident91.1Very high136 Ų13641.1 Ų41.173%0.72725%0.246SC*.THydrogen-bonded Turntrans63.814.9178.8-50.3-45.8000115.6
365V90.9Very high90.5Very high7 Ų745.9 Ų45.94%0.04228%0.28CS..EExtended strand (participates in β ladder)trans-115.1117.2173.4-173.30000110.1M358 N359 L362 P363 V385 A386 F387M358-V365 HydrophobicContact CE-CB 3.91Å; M358-V365 HydrophobicContact CE-CG1 3.4Å; M358-V365 HydrophobicContact CG-CB 4.43Å; M358-V365 HydrophobicContact CG-CG1 4.34Å; N359-V365 PolarHBondContact OD1-O 3.38Å; L362-V365 HydrophobicContact CB-CB 4.19Å; L362-V365 HydrophobicContact CB-CG2 3.95Å; L362-V365 PolarHBondContact O-N 3.5Å; P363-V365 PolarHBondContact O-N 2.91Å; V365-V385 HydrophobicContact CG1-CG1 3.71Å; V365-A386 WeakPolarHBondContact CA-O 3.36Å; V365-F387 HydrophobicContact CB-CE1 4.45Å; V365-F387 HydrophobicContact CG1-CE1 4.12Å; V365-F387 HydrophobicContact CG1-CE2 4.38Å; V365-F387 HydrophobicContact CG1-CZ 4.01Å; V365-F387 HydrophobicContact CG2-CD1 3.74Å; V365-F387 HydrophobicContact CG2-CE1 3.45Å; V365-F387 VanDerWaalsContact CG2-CE1 3.45Å; V365-F387 HydrophobicContact CG2-CZ 4.16Å
366N94.5Very high90.1Very high55 Ų5546.1 Ų46.129%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-98.2147.7176-65.8111.4000111.3D355 V385 A386 W391D355-N366 VanDerWaalsContact OD1-CA 3.26Å; D355-N366 WeakPolarHBondContact OD1-CA 3.43Å; D355-N366 WeakPolarHBondContact OD1-CB 3.38Å; D355-N366 PolarHBondContact OD1-ND2 3.25Å; D355-N366 PolarHBondContact OD2-ND2 3.37Å; N366-V385 CarbonylContact O-C 3.56Å; N366-V385 WeakPolarHBondContact O-CA 3.37Å; N366-A386 HydrophobicContact CB-CB 4.34Å; N366-A386 PolarHBondContact N-O 2.76Å; N366-A386 PolarHBondContact O-N 3Å; N366-W391 HydrophobicContact CB-CH2 4.26Å
367V95.9Very high90Very high4 Ų444.6 Ų44.62%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-138.7147.4178.1-67.30000110.9F354 D355 M358 K384 V385 V406F354-V367 HydrophobicContact CB-CG2 4.47Å; F354-V367 HydrophobicContact CD1-CB 4.04Å; F354-V367 HydrophobicContact CD1-CG2 3.68Å; F354-V367 HydrophobicContact CD2-CB 4.44Å; F354-V367 HydrophobicContact CD2-CG2 3.55Å; F354-V367 HydrophobicContact CE1-CB 3.6Å; F354-V367 HydrophobicContact CE1-CG2 3.7Å; F354-V367 HydrophobicContact CE2-CB 4.03Å; F354-V367 HydrophobicContact CE2-CG1 4.49Å; F354-V367 HydrophobicContact CE2-CG2 3.53Å; F354-V367 HydrophobicContact CG-CB 4.44Å; F354-V367 HydrophobicContact CG-CG2 3.62Å; F354-V367 HydrophobicContact CZ-CB 3.59Å; F354-V367 HydrophobicContact CZ-CG1 4.15Å; F354-V367 HydrophobicContact CZ-CG2 3.62Å; D355-V367 PolarHBondContact OD1-N 3Å; M358-V367 HydrophobicContact CB-CB 4.5Å; M358-V367 HydrophobicContact CB-CG1 4.3Å; M358-V367 HydrophobicContact CB-CG2 3.43Å; M358-V367 VanDerWaalsContact CB-CG2 3.43Å; M358-V367 HydrophobicContact CE-CG1 4.27Å; M358-V367 HydrophobicContact CG-CB 4.42Å; M358-V367 HydrophobicContact CG-CG1 3.72Å; M358-V367 HydrophobicContact CG-CG2 3.83Å; M358-V367 HydrophobicContact SD-CG1 4.17Å; V367-K384 WeakPolarHBondContact CA-O 3.31Å; V367-V385 HydrophobicContact CG1-CB 4.41Å; V367-V385 HydrophobicContact CG1-CG1 4.09Å; V367-V385 HydrophobicContact CG1-CG2 4.06Å; V367-V406 HydrophobicContact CG1-CG1 4.43Å; V367-V406 HydrophobicContact CG1-CG2 4.37Å
368K95.3Very high89.8Confident71 Ų7146.7 Ų46.731%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-153.2151.8173.361-177.6-179.4-172.30110.5V370 K384 W391K368-V370 HydrophobicContact CD-CG1 3.69Å; K368-V370 HydrophobicContact CG-CG1 3.87Å; K368-K384 HydrophobicContact CG-CB 4.02Å; K368-K384 PolarHBondContact N-O 3.48Å; K368-K384 PolarHBondContact O-N 3.19Å; K368-W391 HydrophobicContact CB-CH2 4.41Å; K368-W391 HydrophobicContact CD-CH2 3.47Å; K368-W391 VanDerWaalsContact CD-CH2 3.47Å; K368-W391 HydrophobicContact CD-CZ2 3.85Å; K368-W391 HydrophobicContact CD-CZ3 3.9Å; K368-W391 VanDerWaalsContact CE-CH2 3.43Å; K368-W391 HydrophobicContact CG-CH2 3.57Å; K368-W391 HydrophobicContact CG-CZ2 4.45Å; K368-W391 HydrophobicContact CG-CZ3 3.65Å
369L95.7Very high89.6Confident2 Ų252.5 Ų52.51%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-90.7126.6161.9-60.3175.9000108.4I156 I160 L347 I350 N351 F354 E382 I383 L410I156-L369 HydrophobicContact CG2-CD2 4.2Å; I160-L369 HydrophobicContact CD1-CD1 3.78Å; L347-L369 HydrophobicContact CD1-CB 3.58Å; L347-L369 HydrophobicContact CD1-CD1 4.14Å; I350-L369 HydrophobicContact CG2-CD1 3.94Å; N351-L369 PolarHBondContact ND2-O 2.71Å; N351-L369 WeakPolarHBondContact OD1-CA 3.44Å; N351-L369 VanDerWaalsContact OD1-CB 3.27Å; N351-L369 WeakPolarHBondContact OD1-CB 3.07Å; N351-L369 PolarHBondContact OD1-N 2.94Å; F354-L369 HydrophobicContact CD1-CG 4.25Å; F354-L369 HydrophobicContact CE1-CD2 4.3Å; F354-L369 HydrophobicContact CE1-CG 4.29Å; L369-E382 WeakPolarHBondContact CA-O 3.5Å; L369-I383 HydrophobicContact CD2-CB 4.37Å; L369-I383 HydrophobicContact CD2-CG1 3.61Å; L369-L410 HydrophobicContact CD1-CD1 3.72Å; L369-L410 HydrophobicContact CD2-CD1 4.2Å; L369-L410 HydrophobicContact CD2-CD2 4.22Å; L369-L410 HydrophobicContact CG-CD1 4.25Å
370V94Very high89.7Confident31 Ų3149.8 Ų49.819%0.18829%0.288CS..EExtended strand (participates in β ladder)trans-120.5146.7175.1-64.40000110.4K368 V372 L381 E382 K384K368-V370 HydrophobicContact CD-CG1 3.69Å; K368-V370 HydrophobicContact CG-CG1 3.87Å; V370-V372 PolarHBondContact O-N 3.03Å; V370-L381 CarbonylContact O-C 3.56Å; V370-L381 WeakPolarHBondContact O-CA 3.16Å; V370-E382 HydrophobicContact CG2-CG 3.47Å; V370-E382 VanDerWaalsContact CG2-CG 3.47Å; V370-E382 PolarHBondContact N-O 3.36Å; V370-E382 PolarHBondContact O-N 3.47Å; V370-K384 HydrophobicContact CG2-CG 3.6Å
371P95Very high90.1Very high41 Ų4147.2 Ų47.227%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-56.9134.8165.7-23.135.1000110.8L347 D373 I377 L381L347-P371 HydrophobicContact CD2-CG 4.46Å; P371-D373 WeakPolarHBondContact CB-O 3.27Å; P371-D373 PolarHBondContact O-N 3.18Å; P371-I377 HydrophobicContact CG-CB 4.47Å; P371-I377 HydrophobicContact CG-CG1 4.31Å; P371-L381 HydrophobicContact CB-CD2 4.49Å; P371-L381 HydrophobicContact CG-CD2 4.26Å
372V92.8Very high90.5Very high78 Ų7850.5 Ų50.547%0.47329%0.29SS..SBendtrans-62.9-33.2171.4176.20000110.5A153 V370 G380 E382A153-V372 HydrophobicContact CB-CG2 3.4Å; A153-V372 VanDerWaalsContact CB-CG2 3.4Å; V370-V372 PolarHBondContact O-N 3.03Å; V372-G380 PolarHBondContact N-O 3.48Å; V372-E382 HydrophobicContact CG2-CB 4.1Å; V372-E382 HydrophobicContact CG2-CG 4.15Å
373D90.2Very high90.9Very high45 Ų4550.1 Ų50.124%0.24129%0.288CS..SBendtrans-117.5116.5171-171.1-29.1000109P371 S375 D376 K379P371-D373 WeakPolarHBondContact CB-O 3.27Å; P371-D373 PolarHBondContact O-N 3.18Å; D373-S375 VanDerWaalsContact CG-OG 3.25Å; D373-S375 PolarHBondContact O-N 3.42Å; D373-S375 VanDerWaalsContact O-N 3.11Å; D373-S375 WeakPolarHBondContact OD1-CB 3.37Å; D373-S375 PolarHBondContact OD1-N 3.31Å; D373-S375 PolarHBondContact OD1-OG 3.37Å; D373-S375 PolarHBondContact OD2-OG 3.43Å; D373-D376 CarbonylContact O-C 3.51Å; D373-D376 PolarHBondContact O-N 2.95Å; D373-D376 VanDerWaalsContact O-N 3.08Å; D373-K379 HydrophobicContact CB-CB 4.43Å; D373-K379 HydrophobicContact CB-CD 3.74Å; D373-K379 WeakPolarHBondContact OD2-CD 3.26Å; D373-K379 WeakPolarHBondContact OD2-CE 3.37Å; D373-K379 IonicContact OD2-NZ 2.81Å; D373-K379 PolarHBondContact OD2-NZ 2.95Å
374A83.7Confident91.4Very high104 Ų10448.7 Ų48.786%0.8628%0.275SS*.THydrogen-bonded Turntrans-59.5-23.1179.800000113.2
375S83.5Confident91.8Very high100 Ų10042.2 Ų42.270%0.69924%0.241SC*.THydrogen-bonded Turntrans-83.6-22.7178.569.70000113.7D373D373-S375 VanDerWaalsContact CG-OG 3.25Å; D373-S375 PolarHBondContact O-N 3.42Å; D373-S375 VanDerWaalsContact O-N 3.11Å; D373-S375 WeakPolarHBondContact OD1-CB 3.37Å; D373-S375 PolarHBondContact OD1-N 3.31Å; D373-S375 PolarHBondContact OD1-OG 3.37Å; D373-S375 PolarHBondContact OD2-OG 3.43Å
376D85.9Confident92Very high48 Ų4842 Ų4226%0.25724%0.239SC..  trans-149.2101-173.5-171.35.4000112.8D373 L378 K379D373-D376 CarbonylContact O-C 3.51Å; D373-D376 PolarHBondContact O-N 2.95Å; D373-D376 VanDerWaalsContact O-N 3.08Å; D376-L378 PolarHBondContact O-N 2.79Å; D376-L378 VanDerWaalsContact O-N 3.14Å; D376-L378 WeakPolarHBondContact OD1-CB 3.24Å; D376-L378 WeakPolarHBondContact OD1-CG 3.5Å; D376-L378 PolarHBondContact OD1-N 2.92Å; D376-K379 HydrophobicContact CB-CD 4.33Å; D376-K379 HydrophobicContact CB-CG 4.18Å; D376-K379 PolarHBondContact O-N 3.4Å
377I87.5Confident91.7Very high10 Ų1042.2 Ų42.25%0.05124%0.238CC..G310 helixtrans-57.8-24.5174.3-166.9169.1000113R340 L343 E344 L347 P371 K379 G380 L381R340-I377 HydrophobicContact CG-CG2 3.97Å; L343-I377 HydrophobicContact CB-CD1 4.08Å; E344-I377 HydrophobicContact CG-CD1 4.29Å; L347-I377 HydrophobicContact CB-CD1 4.34Å; L347-I377 HydrophobicContact CD2-CD1 3.62Å; P371-I377 HydrophobicContact CG-CB 4.47Å; P371-I377 HydrophobicContact CG-CG1 4.31Å; I377-K379 PolarHBondContact O-N 3.33Å; I377-G380 PolarHBondContact O-N 3.28Å; I377-L381 HydrophobicContact CD1-CD2 4.41Å; I377-L381 HydrophobicContact CG1-CD2 3.94Å
378L87.5Confident91.2Very high45 Ų4546.7 Ų46.724%0.23628%0.275CS..G310 helixtrans-72-12.6-176.8-55.7177.6000112.9L157 K339 L343 D376 G380L157-L378 VanDerWaalsContact CD2-O 3.25Å; L157-L378 WeakPolarHBondContact CD2-O 3.3Å; K339-L378 HydrophobicContact CD-CD2 4.16Å; K339-L378 HydrophobicContact CG-CD2 4.45Å; L343-L378 HydrophobicContact CD1-CD2 3.59Å; D376-L378 PolarHBondContact O-N 2.79Å; D376-L378 VanDerWaalsContact O-N 3.14Å; D376-L378 WeakPolarHBondContact OD1-CB 3.24Å; D376-L378 WeakPolarHBondContact OD1-CG 3.5Å; D376-L378 PolarHBondContact OD1-N 2.92Å; L378-G380 VanDerWaalsContact C-N 3.35Å
379K88.7Confident90.8Very high122 Ų12245.8 Ų45.853%0.5329%0.286SS..G310 helixtrans-76.9-21.7177.2-67.6-173.8-175.5173.30113.4D373 D376 I377D373-K379 HydrophobicContact CB-CB 4.43Å; D373-K379 HydrophobicContact CB-CD 3.74Å; D373-K379 WeakPolarHBondContact OD2-CD 3.26Å; D373-K379 WeakPolarHBondContact OD2-CE 3.37Å; D373-K379 IonicContact OD2-NZ 2.81Å; D373-K379 PolarHBondContact OD2-NZ 2.95Å; D376-K379 HydrophobicContact CB-CD 4.33Å; D376-K379 HydrophobicContact CB-CG 4.18Å; D376-K379 PolarHBondContact O-N 3.4Å; I377-K379 PolarHBondContact O-N 3.33Å
380G93Very high90.5Very high0 Ų053 Ų530%032%0.32CS..  trans137.7168.117900000113.5A153 V372 I377 L378A153-G380 VanDerWaalsContact O-CA 3.31Å; A153-G380 WeakPolarHBondContact O-CA 3.42Å; V372-G380 PolarHBondContact N-O 3.48Å; I377-G380 PolarHBondContact O-N 3.28Å; L378-G380 VanDerWaalsContact C-N 3.35Å
381L95.1Very high90.5Very high1 Ų156.9 Ų56.91%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-124.4145.5-179.7-63.5172.8000110.7A153 I156 L157 I160 L347 V370 P371 I377A153-L381 WeakPolarHBondContact CA-O 3.42Å; A153-L381 WeakPolarHBondContact CB-O 3.28Å; A153-L381 PolarHBondContact O-N 3.25Å; I156-L381 HydrophobicContact CB-CB 4.38Å; I156-L381 HydrophobicContact CG2-CB 3.91Å; L157-L381 HydrophobicContact CB-CD1 4.48Å; L157-L381 HydrophobicContact CB-CG 4.34Å; L157-L381 HydrophobicContact CD1-CD1 4.12Å; L157-L381 HydrophobicContact CD1-CG 4.27Å; I160-L381 HydrophobicContact CD1-CD1 3.27Å; I160-L381 HydrophobicContact CG1-CD1 4.13Å; L347-L381 HydrophobicContact CD1-CD1 4.04Å; L347-L381 HydrophobicContact CD1-CD2 4.23Å; L347-L381 HydrophobicContact CD2-CD2 3.96Å; V370-L381 CarbonylContact O-C 3.56Å; V370-L381 WeakPolarHBondContact O-CA 3.16Å; P371-L381 HydrophobicContact CB-CD2 4.49Å; P371-L381 HydrophobicContact CG-CD2 4.26Å; I377-L381 HydrophobicContact CD1-CD2 4.41Å; I377-L381 HydrophobicContact CG1-CD2 3.94Å
382E93.8Very high90.4Very high70 Ų7056.3 Ų56.333%0.32733%0.326SS..EExtended strand (participates in β ladder)trans-123.9152.9174.160.7176.6-160.500111.2L369 V370 V372 K384L369-E382 WeakPolarHBondContact CA-O 3.5Å; V370-E382 HydrophobicContact CG2-CG 3.47Å; V370-E382 VanDerWaalsContact CG2-CG 3.47Å; V370-E382 PolarHBondContact N-O 3.36Å; V370-E382 PolarHBondContact O-N 3.47Å; V372-E382 HydrophobicContact CG2-CB 4.1Å; V372-E382 HydrophobicContact CG2-CG 4.15Å; E382-K384 WeakPolarHBondContact OE1-CE 3.45Å; E382-K384 IonicContact OE1-NZ 3.45Å
383I95.3Very high90.1Very high13 Ų1360.2 Ų60.27%0.06734%0.339CS..EExtended strand (participates in β ladder)trans-89123.5176.2-54.9167.8000108I156 F354 L369 V385 L395 V406 L410I156-I383 HydrophobicContact CD1-CD1 4.32Å; I156-I383 HydrophobicContact CD1-CG1 4.11Å; F354-I383 HydrophobicContact CE1-CG2 4.17Å; F354-I383 HydrophobicContact CZ-CG2 4.07Å; L369-I383 HydrophobicContact CD2-CB 4.37Å; L369-I383 HydrophobicContact CD2-CG1 3.61Å; I383-V385 HydrophobicContact CG2-CG2 4.16Å; I383-L395 HydrophobicContact CB-CD1 4.15Å; I383-L395 HydrophobicContact CB-CD2 4.46Å; I383-L395 HydrophobicContact CD1-CD1 4.45Å; I383-L395 HydrophobicContact CG2-CD2 4.22Å; I383-V406 HydrophobicContact CG2-CG1 3.72Å; I383-L410 HydrophobicContact CD1-CD2 3.78Å; I383-L410 HydrophobicContact CG1-CD2 4.21Å
384K94.3Very high89.9Confident39 Ų3960.3 Ų60.317%0.1734%0.343CS..EExtended strand (participates in β ladder)trans-110.2138.5169.7-70.6-73179.2178.60109.3V367 K368 V370 E382 W391V367-K384 WeakPolarHBondContact CA-O 3.31Å; K368-K384 HydrophobicContact CG-CB 4.02Å; K368-K384 PolarHBondContact N-O 3.48Å; K368-K384 PolarHBondContact O-N 3.19Å; V370-K384 HydrophobicContact CG2-CG 3.6Å; E382-K384 WeakPolarHBondContact OE1-CE 3.45Å; E382-K384 IonicContact OE1-NZ 3.45Å; K384-W391 HydrophobicContact CB-CE3 3.72Å; K384-W391 HydrophobicContact CB-CZ3 3.91Å
385V95.4Very high90Very high1 Ų157 Ų571%0.00631%0.311CS..EExtended strand (participates in β ladder)trans-126139.3-179.5-173.90000107.9V365 N366 V367 I383 F387 L392 L395 L398 V406V365-V385 HydrophobicContact CG1-CG1 3.71Å; N366-V385 CarbonylContact O-C 3.56Å; N366-V385 WeakPolarHBondContact O-CA 3.37Å; V367-V385 HydrophobicContact CG1-CB 4.41Å; V367-V385 HydrophobicContact CG1-CG1 4.09Å; V367-V385 HydrophobicContact CG1-CG2 4.06Å; I383-V385 HydrophobicContact CG2-CG2 4.16Å; V385-F387 HydrophobicContact CG1-CD2 4.37Å; V385-F387 HydrophobicContact CG1-CE2 3.67Å; V385-F387 HydrophobicContact CG1-CZ 4.26Å; V385-L392 HydrophobicContact CB-CD1 4.46Å; V385-L392 PolarHBondContact O-N 2.94Å; V385-L395 HydrophobicContact CB-CD2 4.46Å; V385-L395 HydrophobicContact CG2-CD2 3.47Å; V385-L395 VanDerWaalsContact CG2-CD2 3.47Å; V385-L398 HydrophobicContact CG1-CD2 4.46Å; V385-L398 HydrophobicContact CG2-CD1 4.17Å; V385-V406 HydrophobicContact CG1-CG2 4.43Å; V385-V406 HydrophobicContact CG2-CG1 3.95Å; V385-V406 HydrophobicContact CG2-CG2 4.03Å
386A94.3Very high90.1Very high1 Ų157.1 Ų57.11%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-126.2138.7174.900000112.2V365 N366 Q390 W391V365-A386 WeakPolarHBondContact CA-O 3.36Å; N366-A386 HydrophobicContact CB-CB 4.34Å; N366-A386 PolarHBondContact N-O 2.76Å; N366-A386 PolarHBondContact O-N 3Å; A386-Q390 CarbonylContact C-O 3.56Å; A386-Q390 WeakPolarHBondContact CA-O 3.26Å; A386-Q390 WeakPolarHBondContact CB-O 3.4Å; A386-W391 HydrophobicContact CB-CD2 3.58Å; A386-W391 HydrophobicContact CB-CE3 3.56Å; A386-W391 HydrophobicContact CB-CG 4.06Å; A386-W391 HydrophobicContact CB-CH2 4.09Å; A386-W391 HydrophobicContact CB-CZ2 4.13Å; A386-W391 HydrophobicContact CB-CZ3 3.81Å
387F89.7Confident90.1Very high61 Ų6160.4 Ų60.427%0.26832%0.321SS..EExtended strand (participates in β ladder)trans-114.2129171.5-70.4-94.1000108.9V365 V385 G389 Q390 L392 L398V365-F387 HydrophobicContact CB-CE1 4.45Å; V365-F387 HydrophobicContact CG1-CE1 4.12Å; V365-F387 HydrophobicContact CG1-CE2 4.38Å; V365-F387 HydrophobicContact CG1-CZ 4.01Å; V365-F387 HydrophobicContact CG2-CD1 3.74Å; V365-F387 HydrophobicContact CG2-CE1 3.45Å; V365-F387 VanDerWaalsContact CG2-CE1 3.45Å; V365-F387 HydrophobicContact CG2-CZ 4.16Å; V385-F387 HydrophobicContact CG1-CD2 4.37Å; V385-F387 HydrophobicContact CG1-CE2 3.67Å; V385-F387 HydrophobicContact CG1-CZ 4.26Å; F387-G389 PolarHBondContact O-N 2.81Å; F387-Q390 PolarHBondContact N-O 2.95Å; F387-Q390 PolarHBondContact O-N 3.31Å; F387-L392 HydrophobicContact CD2-CD1 3.9Å; F387-L392 HydrophobicContact CD2-CD2 4.3Å; F387-L392 HydrophobicContact CD2-CG 4.16Å; F387-L392 HydrophobicContact CE2-CD1 3.68Å; F387-L392 HydrophobicContact CE2-CG 4.41Å; F387-L398 HydrophobicContact CD2-CD2 4.49Å; F387-L398 HydrophobicContact CE2-CD2 3.22Å; F387-L398 HydrophobicContact CZ-CD2 3.28Å
388A85.3Confident90.1Very high98 Ų9860.5 Ų60.581%0.8132%0.321SS*.THydrogen-bonded Turntrans49.637-179.200000112.8Q390A388-Q390 VanDerWaalsContact C-N 3.3Å; A388-Q390 PolarHBondContact O-N 2.93Å
389G85.6Confident90Very high52 Ų5261.3 Ų61.354%0.53633%0.331SS..THydrogen-bonded Turntrans80.2-6.5-178.300000116.4F387F387-G389 PolarHBondContact O-N 2.81Å
390Q91Very high89.8Confident154 Ų15458 Ų5872%0.7233%0.332SS*.EExtended strand (participates in β ladder)trans-91.1119.1177.4-63-174.92.500110.9A386 F387 A388A386-Q390 CarbonylContact C-O 3.56Å; A386-Q390 WeakPolarHBondContact CA-O 3.26Å; A386-Q390 WeakPolarHBondContact CB-O 3.4Å; F387-Q390 PolarHBondContact N-O 2.95Å; F387-Q390 PolarHBondContact O-N 3.31Å; A388-Q390 VanDerWaalsContact C-N 3.3Å; A388-Q390 PolarHBondContact O-N 2.93Å
391W93.7Very high89.4Confident111 Ų11158.9 Ų58.942%0.4234%0.341SS..EExtended strand (participates in β ladder)trans-77.6130.1178.3-66.494.6000110.9N366 K368 K384 A386N366-W391 HydrophobicContact CB-CH2 4.26Å; K368-W391 HydrophobicContact CB-CH2 4.41Å; K368-W391 HydrophobicContact CD-CH2 3.47Å; K368-W391 VanDerWaalsContact CD-CH2 3.47Å; K368-W391 HydrophobicContact CD-CZ2 3.85Å; K368-W391 HydrophobicContact CD-CZ3 3.9Å; K368-W391 VanDerWaalsContact CE-CH2 3.43Å; K368-W391 HydrophobicContact CG-CH2 3.57Å; K368-W391 HydrophobicContact CG-CZ2 4.45Å; K368-W391 HydrophobicContact CG-CZ3 3.65Å; K384-W391 HydrophobicContact CB-CE3 3.72Å; K384-W391 HydrophobicContact CB-CZ3 3.91Å; A386-W391 HydrophobicContact CB-CD2 3.58Å; A386-W391 HydrophobicContact CB-CE3 3.56Å; A386-W391 HydrophobicContact CB-CG 4.06Å; A386-W391 HydrophobicContact CB-CH2 4.09Å; A386-W391 HydrophobicContact CB-CZ2 4.13Å; A386-W391 HydrophobicContact CB-CZ3 3.81Å
392L92.5Very high89.1Confident30 Ų3061.7 Ų61.716%0.15735%0.354CS..PPolyproline II helixtrans-74.2146.1176.1-57.5-178.4000111.1V385 F387 E397 L398V385-L392 HydrophobicContact CB-CD1 4.46Å; V385-L392 PolarHBondContact O-N 2.94Å; F387-L392 HydrophobicContact CD2-CD1 3.9Å; F387-L392 HydrophobicContact CD2-CD2 4.3Å; F387-L392 HydrophobicContact CD2-CG 4.16Å; F387-L392 HydrophobicContact CE2-CD1 3.68Å; F387-L392 HydrophobicContact CE2-CG 4.41Å; L392-E397 HydrophobicContact CD1-CB 4.36Å; L392-L398 HydrophobicContact CD1-CD2 3.81Å; L392-L398 HydrophobicContact CD1-CG 3.96Å
393E86.3Confident88.9Confident159 Ų15961.6 Ų61.674%0.74335%0.35SS*.SBendtrans-75-41.1173.2-69.6-59.1157.100110.8
394S86Confident88.6Confident47 Ų4761.7 Ų61.733%0.32935%0.352SS..  trans-133.6143.4-179.5178.80000113T396 E397S394-T396 WeakPolarHBondContact CB-OG1 3.47Å; S394-T396 PolarHBondContact O-N 3.43Å; S394-T396 VanDerWaalsContact O-N 3.13Å; S394-T396 WeakPolarHBondContact OG-CG2 3.39Å; S394-T396 PolarHBondContact OG-N 3.31Å; S394-T396 VanDerWaalsContact OG-N 3.14Å; S394-T396 PolarHBondContact OG-OG1 2.97Å; S394-E397 PolarHBondContact O-N 3.49Å
395L85.2Confident88.5Confident36 Ų3659.9 Ų59.919%0.18834%0.344CS..G310 helixtrans-65-10.6170.8-58.8178.9000113.3I383 V385 E397 L398 R403I383-L395 HydrophobicContact CB-CD1 4.15Å; I383-L395 HydrophobicContact CB-CD2 4.46Å; I383-L395 HydrophobicContact CD1-CD1 4.45Å; I383-L395 HydrophobicContact CG2-CD2 4.22Å; V385-L395 HydrophobicContact CB-CD2 4.46Å; V385-L395 HydrophobicContact CG2-CD2 3.47Å; V385-L395 VanDerWaalsContact CG2-CD2 3.47Å; L395-E397 PolarHBondContact O-N 3.36Å; L395-L398 HydrophobicContact CB-CD1 4.49Å; L395-L398 HydrophobicContact CD2-CD1 4.09Å; L395-L398 WeakPolarHBondContact O-CB 3.41Å; L395-L398 PolarHBondContact O-N 3.46Å; L395-R403 WeakPolarHBondContact O-CD 3.32Å
396T85.2Confident88.4Confident101 Ų10159.9 Ų59.962%0.6234%0.344SS*.G310 helixtrans-69.9-20.1177.453.60000113.2S394 L398S394-T396 WeakPolarHBondContact CB-OG1 3.47Å; S394-T396 PolarHBondContact O-N 3.43Å; S394-T396 VanDerWaalsContact O-N 3.13Å; S394-T396 WeakPolarHBondContact OG-CG2 3.39Å; S394-T396 PolarHBondContact OG-N 3.31Å; S394-T396 VanDerWaalsContact OG-N 3.14Å; S394-T396 PolarHBondContact OG-OG1 2.97Å; T396-L398 PolarHBondContact O-N 3.45Å
397E86.3Confident88.3Confident118 Ų11859.8 Ų59.855%0.55134%0.344SS*.G310 helixtrans-73.2-16.3177.7-64.1173.1-135.300112.6L392 S394 L395L392-E397 HydrophobicContact CD1-CB 4.36Å; S394-E397 PolarHBondContact O-N 3.49Å; L395-E397 PolarHBondContact O-N 3.36Å
398L87.7Confident88.4Confident11 Ų1157 Ų576%0.05833%0.332CS..SBendtrans-78.5145.1177.9-67174.3000112.1V385 F387 L392 L395 T396 Q402 R403 V406V385-L398 HydrophobicContact CG1-CD2 4.46Å; V385-L398 HydrophobicContact CG2-CD1 4.17Å; F387-L398 HydrophobicContact CD2-CD2 4.49Å; F387-L398 HydrophobicContact CE2-CD2 3.22Å; F387-L398 HydrophobicContact CZ-CD2 3.28Å; L392-L398 HydrophobicContact CD1-CD2 3.81Å; L392-L398 HydrophobicContact CD1-CG 3.96Å; L395-L398 HydrophobicContact CB-CD1 4.49Å; L395-L398 HydrophobicContact CD2-CD1 4.09Å; L395-L398 WeakPolarHBondContact O-CB 3.41Å; L395-L398 PolarHBondContact O-N 3.46Å; T396-L398 PolarHBondContact O-N 3.45Å; L398-Q402 HydrophobicContact CB-CB 4.23Å; L398-Q402 HydrophobicContact CD2-CB 4.16Å; L398-R403 HydrophobicContact CB-CG 3.36Å; L398-R403 HydrophobicContact CD1-CG 4.03Å; L398-R403 HydrophobicContact CG-CG 4.34Å; L398-V406 HydrophobicContact CD1-CG2 4.14Å
399S86.8Confident88.7Confident62 Ų6252.3 Ų52.343%0.43429%0.293SS..  trans-62.9157169.583.30000111.5G401 Q402 R403S399-G401 VanDerWaalsContact C-N 3.28Å; S399-G401 PolarHBondContact O-N 3.36Å; S399-Q402 PolarHBondContact O-N 2.71Å; S399-Q402 VanDerWaalsContact O-N 3.12Å; S399-Q402 WeakPolarHBondContact OG-CG 3.29Å; S399-Q402 PolarHBondContact OG-N 2.97Å; S399-Q402 PolarHBondContact OG-OE1 3.35Å; S399-R403 WeakPolarHBondContact O-CG 3.47Å; S399-R403 PolarHBondContact O-N 3.1Å
400G83.5Confident89.1Confident53 Ų5350 Ų5055%0.54627%0.268SS..Hα-helixtrans-53.7-42.7-179.900000113.5S404G400-S404 PolarHBondContact O-N 2.94Å; G400-S404 VanDerWaalsContact O-N 3.1Å; G400-S404 PolarHBondContact O-OG 3.32Å
401G84.8Confident89.2Confident19 Ų1943.2 Ų43.220%0.19624%0.237CC..Hα-helixtrans-67.6-42.4176.800000113.1S399 R403 S404 L405S399-G401 VanDerWaalsContact C-N 3.28Å; S399-G401 PolarHBondContact O-N 3.36Å; G401-R403 PolarHBondContact O-N 2.99Å; G401-S404 WeakPolarHBondContact O-CB 3.39Å; G401-S404 PolarHBondContact O-N 3.22Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 2.79Å
402Q88.5Confident89.1Confident59 Ų5938 Ų3828%0.27622%0.217SC..Hα-helixtrans-62.7-42.7176.3-74.1169.1-21.800111.7L362 L398 S399 S404 L405 V406L362-Q402 HydrophobicContact CD1-CG 4.38Å; L398-Q402 HydrophobicContact CB-CB 4.23Å; L398-Q402 HydrophobicContact CD2-CB 4.16Å; S399-Q402 PolarHBondContact O-N 2.71Å; S399-Q402 VanDerWaalsContact O-N 3.12Å; S399-Q402 WeakPolarHBondContact OG-CG 3.29Å; S399-Q402 PolarHBondContact OG-N 2.97Å; S399-Q402 PolarHBondContact OG-OE1 3.35Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 3.25Å; Q402-L405 WeakPolarHBondContact O-CB 3.5Å; Q402-L405 PolarHBondContact O-N 3.2Å; Q402-L405 VanDerWaalsContact O-N 3.16Å; Q402-V406 WeakPolarHBondContact O-CG2 3.37Å; Q402-V406 PolarHBondContact O-N 2.84Å
403R90Very high89.1Confident68 Ų6836.5 Ų36.526%0.25721%0.21SC..Hα-helixtrans-57.9-47.7173.9-67.1176.964.9-170.8-1110.6L149 L395 L398 S399 G401 L405 V406 A407L149-R403 HydrophobicContact CD1-CB 3.74Å; L149-R403 HydrophobicContact CD2-CB 4.1Å; L149-R403 VanDerWaalsContact CD2-O 3.31Å; L149-R403 WeakPolarHBondContact CD2-O 3.2Å; L395-R403 WeakPolarHBondContact O-CD 3.32Å; L398-R403 HydrophobicContact CB-CG 3.36Å; L398-R403 HydrophobicContact CD1-CG 4.03Å; L398-R403 HydrophobicContact CG-CG 4.34Å; S399-R403 WeakPolarHBondContact O-CG 3.47Å; S399-R403 PolarHBondContact O-N 3.1Å; G401-R403 PolarHBondContact O-N 2.99Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 3.35Å; R403-V406 PolarHBondContact O-N 3.39Å; R403-A407 PolarHBondContact O-N 2.95Å
404S89.5Confident89.3Confident15 Ų1529.5 Ų29.511%0.10518%0.177CC..Hα-helixtrans-57.9-39.5176.9-66.30000112.5G400 G401 Q402 A407 L408G400-S404 PolarHBondContact O-N 2.94Å; G400-S404 VanDerWaalsContact O-N 3.1Å; G400-S404 PolarHBondContact O-OG 3.32Å; G401-S404 WeakPolarHBondContact O-CB 3.39Å; G401-S404 PolarHBondContact O-N 3.22Å; Q402-S404 VanDerWaalsContact C-N 3.32Å; Q402-S404 PolarHBondContact O-N 3.25Å; S404-A407 PolarHBondContact O-N 3.41Å; S404-L408 WeakPolarHBondContact O-CB 3.48Å; S404-L408 PolarHBondContact O-N 3.02Å
405L90.9Very high89.5Confident1 Ų127.4 Ų27.41%0.00516%0.162CC..Hα-helixtrans-65.4-43.4175.9-70.3169.7000112.9M361 L362 G401 Q402 R403 A407 L408 A409 L432 H436 I440M361-L405 HydrophobicContact CB-CD2 4.48Å; M361-L405 HydrophobicContact SD-CD2 4Å; L362-L405 HydrophobicContact CD1-CB 4.21Å; L362-L405 HydrophobicContact CD1-CD1 3.53Å; L362-L405 HydrophobicContact CD2-CD1 4.23Å; L362-L405 HydrophobicContact CG-CD1 3.8Å; G401-L405 WeakPolarHBondContact O-CG 3.44Å; G401-L405 PolarHBondContact O-N 2.79Å; Q402-L405 WeakPolarHBondContact O-CB 3.5Å; Q402-L405 PolarHBondContact O-N 3.2Å; Q402-L405 VanDerWaalsContact O-N 3.16Å; R403-L405 VanDerWaalsContact C-N 3.27Å; R403-L405 PolarHBondContact O-N 3.35Å; L405-A407 PolarHBondContact O-N 3.24Å; L405-L408 PolarHBondContact O-N 3.48Å; L405-A409 VanDerWaalsContact O-CB 3.28Å; L405-A409 WeakPolarHBondContact O-CB 3.46Å; L405-A409 PolarHBondContact O-N 2.73Å; L405-L432 HydrophobicContact CD2-CD1 3.89Å; L405-L432 HydrophobicContact CD2-CD2 3.77Å; L405-L432 HydrophobicContact CD2-CG 4.47Å; L405-L432 HydrophobicContact CG-CD2 3.72Å; L405-H436 HydrophobicContact CD1-CB 4.35Å; L405-H436 HydrophobicContact CD2-CB 4.2Å; L405-I440 HydrophobicContact CD2-CD1 4.06Å
406V93.1Very high89.7Confident1 Ų126.1 Ų26.11%0.00616%0.155CC..Hα-helixtrans-59.7-47176.81730000110.9F354 M358 V367 I383 V385 L398 Q402 R403 A409 L410F354-V406 WeakPolarHBondContact CE2-O 3.4Å; F354-V406 HydrophobicContact CZ-CG1 4.05Å; M358-V406 HydrophobicContact CE-CG2 3.64Å; M358-V406 HydrophobicContact SD-CG2 4.25Å; V367-V406 HydrophobicContact CG1-CG1 4.43Å; V367-V406 HydrophobicContact CG1-CG2 4.37Å; I383-V406 HydrophobicContact CG2-CG1 3.72Å; V385-V406 HydrophobicContact CG1-CG2 4.43Å; V385-V406 HydrophobicContact CG2-CG1 3.95Å; V385-V406 HydrophobicContact CG2-CG2 4.03Å; L398-V406 HydrophobicContact CD1-CG2 4.14Å; Q402-V406 WeakPolarHBondContact O-CG2 3.37Å; Q402-V406 PolarHBondContact O-N 2.84Å; R403-V406 PolarHBondContact O-N 3.39Å; V406-A409 PolarHBondContact O-N 3.04Å; V406-L410 PolarHBondContact O-N 3.3Å
407A92.2Very high89.9Confident0 Ų021.7 Ų21.70%013%0.128CC..Hα-helixtrans-68.2-36.5177.700000113I145 V148 L149 R403 S404 L405 L410 I411I145-A407 HydrophobicContact CG2-CB 3.77Å; V148-A407 HydrophobicContact CB-CB 4.22Å; V148-A407 HydrophobicContact CG1-CB 3.94Å; L149-A407 HydrophobicContact CD1-CB 4.24Å; L149-A407 HydrophobicContact CD2-CB 3.62Å; L149-A407 HydrophobicContact CG-CB 3.52Å; R403-A407 PolarHBondContact O-N 2.95Å; S404-A407 PolarHBondContact O-N 3.41Å; L405-A407 PolarHBondContact O-N 3.24Å; A407-L410 PolarHBondContact O-N 2.98Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.32Å; A407-I411 PolarHBondContact O-N 3.08Å
408L91.6Very high89.8Confident2 Ų219.1 Ų19.11%0.0112%0.115CC..Hα-helixtrans-66.4-41.5176.2-175.563.1000111.5I145 M361 S404 L405 L410 I411 F412 I428 L432 I440I145-L408 HydrophobicContact CD1-CD1 4.22Å; M361-L408 HydrophobicContact CE-CD2 4.36Å; M361-L408 HydrophobicContact CE-CG 4.39Å; S404-L408 WeakPolarHBondContact O-CB 3.48Å; S404-L408 PolarHBondContact O-N 3.02Å; L405-L408 PolarHBondContact O-N 3.48Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 2.94Å; L408-I411 WeakPolarHBondContact O-CB 3.28Å; L408-I411 PolarHBondContact O-N 2.76Å; L408-F412 HydrophobicContact CD1-CD2 3.97Å; L408-F412 HydrophobicContact CD1-CE2 3.49Å; L408-F412 VanDerWaalsContact CD1-CE2 3.49Å; L408-F412 HydrophobicContact CD1-CZ 4.08Å; L408-F412 HydrophobicContact CD2-CE2 3.83Å; L408-F412 HydrophobicContact CG-CD2 3.73Å; L408-F412 HydrophobicContact CG-CE2 3.41Å; L408-F412 VanDerWaalsContact CG-CE2 3.41Å; L408-F412 HydrophobicContact CG-CZ 4.42Å; L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.4Å; L408-I428 HydrophobicContact CD1-CB 4.33Å; L408-I428 HydrophobicContact CD1-CD1 3.8Å; L408-I428 HydrophobicContact CD2-CD1 4.34Å; L408-L432 HydrophobicContact CD2-CD1 4.12Å; L408-I440 HydrophobicContact CD2-CD1 3.42Å; L408-I440 VanDerWaalsContact CD2-CD1 3.42Å; L408-I440 HydrophobicContact CD2-CG1 4.05Å; L408-I440 HydrophobicContact CD2-CG2 4.4Å
409A92.9Very high89.8Confident0 Ų021.3 Ų21.30%013%0.129CC..Hα-helixtrans-60.9-41.5174.400000111.5F354 I357 M358 M361 L405 V406 F412 A413F354-A409 HydrophobicContact CD2-CB 3.92Å; F354-A409 HydrophobicContact CE2-CB 3.77Å; I357-A409 HydrophobicContact CB-CB 4.49Å; I357-A409 HydrophobicContact CG2-CB 3.77Å; M358-A409 HydrophobicContact CB-CB 4.41Å; M358-A409 HydrophobicContact SD-CB 4.17Å; M361-A409 HydrophobicContact SD-CB 4.31Å; L405-A409 VanDerWaalsContact O-CB 3.28Å; L405-A409 WeakPolarHBondContact O-CB 3.46Å; L405-A409 PolarHBondContact O-N 2.73Å; V406-A409 PolarHBondContact O-N 3.04Å; A409-F412 PolarHBondContact O-N 3.03Å; A409-A413 WeakPolarHBondContact O-CB 3.31Å; A409-A413 PolarHBondContact O-N 2.76Å
410L94.5Very high89.8Confident2 Ų218.9 Ų18.91%0.0111%0.113CC..Hα-helixtrans-62.9-45.3173.9176.757.6000111.4V148 I350 F354 L369 I383 V406 A407 L408 F412 A413 M414V148-L410 HydrophobicContact CG1-CD2 3.93Å; I350-L410 HydrophobicContact CG2-CD1 4.46Å; F354-L410 HydrophobicContact CD2-CB 4.17Å; F354-L410 HydrophobicContact CE2-CB 3.72Å; F354-L410 VanDerWaalsContact CE2-N 3.29Å; F354-L410 HydrophobicContact CZ-CB 3.97Å; L369-L410 HydrophobicContact CD1-CD1 3.72Å; L369-L410 HydrophobicContact CD2-CD1 4.2Å; L369-L410 HydrophobicContact CD2-CD2 4.22Å; L369-L410 HydrophobicContact CG-CD1 4.25Å; I383-L410 HydrophobicContact CD1-CD2 3.78Å; I383-L410 HydrophobicContact CG1-CD2 4.21Å; V406-L410 PolarHBondContact O-N 3.3Å; A407-L410 PolarHBondContact O-N 2.98Å; L408-L410 VanDerWaalsContact C-N 3.32Å; L408-L410 PolarHBondContact O-N 2.94Å; L410-F412 VanDerWaalsContact C-N 3.34Å; L410-F412 PolarHBondContact O-N 2.76Å; L410-A413 PolarHBondContact O-N 3.07Å; L410-M414 HydrophobicContact CD1-CG 4.31Å; L410-M414 VanDerWaalsContact O-CG 3.24Å; L410-M414 WeakPolarHBondContact O-CG 3.17Å; L410-M414 PolarHBondContact O-N 3.27Å
411I92Very high90Very high13 Ų1317.5 Ų17.57%0.0679%0.094CC..Hα-helixtrans-57-49.6175.7-71.1165.7000110V140 R144 I145 V148 A407 L408 A413 M414 L415V140-I411 HydrophobicContact CG1-CD1 4.15Å; V140-I411 HydrophobicContact CG1-CG2 4.49Å; V140-I411 HydrophobicContact CG2-CG2 3.72Å; R144-I411 HydrophobicContact CG-CD1 4.43Å; I145-I411 HydrophobicContact CG1-CD1 4.03Å; V148-I411 HydrophobicContact CG2-CD1 4.13Å; V148-I411 HydrophobicContact CG2-CG1 4.16Å; A407-I411 VanDerWaalsContact O-CG1 3.3Å; A407-I411 WeakPolarHBondContact O-CG1 3.32Å; A407-I411 PolarHBondContact O-N 3.08Å; L408-I411 WeakPolarHBondContact O-CB 3.28Å; L408-I411 PolarHBondContact O-N 2.76Å; I411-A413 PolarHBondContact O-N 3.36Å; I411-M414 WeakPolarHBondContact O-CB 3.49Å; I411-M414 PolarHBondContact O-N 2.91Å; I411-M414 VanDerWaalsContact O-N 3.13Å; I411-L415 HydrophobicContact CG2-CD1 4.46Å; I411-L415 HydrophobicContact CG2-CG 4.42Å; I411-L415 WeakPolarHBondContact O-CG 3.44Å; I411-L415 PolarHBondContact O-N 3.18Å
412F92.2Very high90.4Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-63.4-38.3179.2-76.7-58.2000113.2I357 M361 L408 A409 L410 M414 L415 L416 L425 I428 I440 M443 I444 F448 F453I357-F412 HydrophobicContact CD1-CB 3.63Å; I357-F412 HydrophobicContact CG2-CB 4.32Å; M361-F412 HydrophobicContact CE-CD2 3.54Å; M361-F412 HydrophobicContact CE-CE2 3.74Å; L408-F412 HydrophobicContact CD1-CD2 3.97Å; L408-F412 HydrophobicContact CD1-CE2 3.49Å; L408-F412 VanDerWaalsContact CD1-CE2 3.49Å; L408-F412 HydrophobicContact CD1-CZ 4.08Å; L408-F412 HydrophobicContact CD2-CE2 3.83Å; L408-F412 HydrophobicContact CG-CD2 3.73Å; L408-F412 HydrophobicContact CG-CE2 3.41Å; L408-F412 VanDerWaalsContact CG-CE2 3.41Å; L408-F412 HydrophobicContact CG-CZ 4.42Å; L408-F412 WeakPolarHBondContact O-CD2 3.31Å; L408-F412 PolarHBondContact O-N 3.4Å; A409-F412 PolarHBondContact O-N 3.03Å; L410-F412 VanDerWaalsContact C-N 3.34Å; L410-F412 PolarHBondContact O-N 2.76Å; F412-M414 PolarHBondContact O-N 3.04Å; F412-L415 HydrophobicContact CD1-CD1 3.99Å; F412-L415 HydrophobicContact CE1-CD1 4.36Å; F412-L415 PolarHBondContact O-N 3.17Å; F412-L415 VanDerWaalsContact O-N 3.11Å; F412-L416 PolarHBondContact O-N 3.13Å; F412-L425 HydrophobicContact CE1-CD1 4.32Å; F412-L425 HydrophobicContact CZ-CD1 4.32Å; F412-I428 HydrophobicContact CZ-CD1 4.23Å; F412-I440 HydrophobicContact CE2-CG2 3.95Å; F412-I440 HydrophobicContact CZ-CG2 4.06Å; F412-M443 HydrophobicContact CD1-CE 3.85Å; F412-M443 HydrophobicContact CD2-CE 3.63Å; F412-M443 HydrophobicContact CD2-SD 4.1Å; F412-M443 HydrophobicContact CE1-CE 3.87Å; F412-M443 HydrophobicContact CE2-CE 3.6Å; F412-M443 HydrophobicContact CE2-SD 4.47Å; F412-M443 HydrophobicContact CG-CE 3.76Å; F412-M443 HydrophobicContact CG-SD 4.36Å; F412-M443 HydrophobicContact CZ-CE 3.74Å; F412-I444 HydrophobicContact CE1-CD1 4.47Å; F412-I444 HydrophobicContact CE1-CG1 4.13Å; F412-I444 HydrophobicContact CZ-CD1 4.12Å; F412-I444 HydrophobicContact CZ-CG1 4.04Å; F412-F448 HydrophobicContact CB-CZ 4.49Å; F412-F448 AromaticContact CD1-CE2 3.81Å; F412-F448 HydrophobicContact CD1-CE2 3.81Å; F412-F448 AromaticContact CD1-CZ 3.94Å; F412-F448 HydrophobicContact CD1-CZ 3.94Å; F412-F448 HydrophobicContact CE1-CE2 4.42Å; F412-F453 HydrophobicContact CE1-CE1 4.32Å
413A92.9Very high90.6Very high0 Ų014 Ų140%07%0.073CC..Hα-helixtrans-60.2-39.2174.400000111.3I350 D353 F354 I357 A409 L410 I411 L416 F417I350-A413 HydrophobicContact CG2-CB 4.41Å; D353-A413 HydrophobicContact CB-CB 4.17Å; F354-A413 HydrophobicContact CB-CB 3.81Å; I357-A413 HydrophobicContact CD1-CB 4.1Å; I357-A413 VanDerWaalsContact CD1-N 3.34Å; A409-A413 WeakPolarHBondContact O-CB 3.31Å; A409-A413 PolarHBondContact O-N 2.76Å; L410-A413 PolarHBondContact O-N 3.07Å; I411-A413 PolarHBondContact O-N 3.36Å; A413-L416 PolarHBondContact O-N 3.01Å; A413-F417 WeakPolarHBondContact O-CB 3.49Å; A413-F417 PolarHBondContact O-N 2.88Å
414M90.9Very high90.8Very high12 Ų1210.8 Ų10.86%0.0596%0.061CC..Hα-helixtrans-66.7-38.1174.1-65.5-63.5-63.500112.5M159 I160 A163 I350 L410 I411 F412 F417 K418M159-M414 HydrophobicContact CE-CG 3.91Å; M159-M414 VanDerWaalsContact O-CE 3.26Å; M159-M414 WeakPolarHBondContact O-CE 3.11Å; I160-M414 HydrophobicContact CG1-CE 4.33Å; I160-M414 HydrophobicContact CG1-SD 4.26Å; A163-M414 HydrophobicContact CB-CE 3.36Å; I350-M414 HydrophobicContact CD1-CE 4.4Å; I350-M414 HydrophobicContact CD1-SD 3.62Å; I350-M414 HydrophobicContact CG1-SD 4.09Å; I350-M414 HydrophobicContact CG2-SD 4.02Å; L410-M414 HydrophobicContact CD1-CG 4.31Å; L410-M414 VanDerWaalsContact O-CG 3.24Å; L410-M414 WeakPolarHBondContact O-CG 3.17Å; L410-M414 PolarHBondContact O-N 3.27Å; I411-M414 WeakPolarHBondContact O-CB 3.49Å; I411-M414 PolarHBondContact O-N 2.91Å; I411-M414 VanDerWaalsContact O-N 3.13Å; F412-M414 PolarHBondContact O-N 3.04Å; M414-F417 PolarHBondContact O-N 2.86Å; M414-K418 PolarHBondContact O-N 3.25Å
415L89.4Confident91Very high3 Ų310.1 Ų10.12%0.0166%0.056CC..Hα-helixtrans-65.7-36.4174.7-59.9-173.4000112.1H137 I411 F412 K418 P419 Y423 F448H137-L415 WeakPolarHBondContact O-CD2 3.49Å; I411-L415 HydrophobicContact CG2-CD1 4.46Å; I411-L415 HydrophobicContact CG2-CG 4.42Å; I411-L415 WeakPolarHBondContact O-CG 3.44Å; I411-L415 PolarHBondContact O-N 3.18Å; F412-L415 HydrophobicContact CD1-CD1 3.99Å; F412-L415 HydrophobicContact CE1-CD1 4.36Å; F412-L415 PolarHBondContact O-N 3.17Å; F412-L415 VanDerWaalsContact O-N 3.11Å; L415-K418 CarbonylContact O-C 3.44Å; L415-P419 WeakPolarHBondContact O-CA 3.35Å; L415-Y423 HydrophobicContact CB-CE1 3.88Å; L415-Y423 HydrophobicContact CD1-CD1 3.8Å; L415-Y423 HydrophobicContact CD1-CE1 3.91Å; L415-Y423 HydrophobicContact CD1-CG 4.37Å; L415-Y423 HydrophobicContact CD2-CD1 4.03Å; L415-Y423 HydrophobicContact CD2-CE1 3.72Å; L415-Y423 HydrophobicContact CG-CD1 4.35Å; L415-Y423 HydrophobicContact CG-CE1 4.01Å; L415-Y423 PolarHBondContact O-OH 3.37Å; L415-Y423 VanDerWaalsContact O-OH 3.07Å; L415-F448 HydrophobicContact CB-CE1 3.84Å; L415-F448 HydrophobicContact CB-CZ 3.98Å
416L89Confident91.2Very high9 Ų910.1 Ų10.15%0.0476%0.056CC..Hα-helixtrans-69.2-36.7174.3-71.3176.2000112.2D353 I357 F412 A413 K447 F448D353-L416 HydrophobicContact CB-CD1 4.28Å; I357-L416 HydrophobicContact CD1-CD1 3.54Å; I357-L416 HydrophobicContact CD1-CG 4.45Å; I357-L416 HydrophobicContact CG1-CD1 4.18Å; F412-L416 PolarHBondContact O-N 3.13Å; A413-L416 PolarHBondContact O-N 3.01Å; L416-K447 HydrophobicContact CD2-CB 4.28Å; L416-F448 HydrophobicContact CD1-CZ 4.47Å; L416-F448 HydrophobicContact CD2-CD1 3.84Å; L416-F448 HydrophobicContact CD2-CD2 4.48Å; L416-F448 HydrophobicContact CD2-CE1 3.36Å; L416-F448 HydrophobicContact CD2-CE2 4.07Å; L416-F448 HydrophobicContact CD2-CG 4.38Å; L416-F448 HydrophobicContact CD2-CZ 3.49Å; L416-F448 VanDerWaalsContact CD2-CZ 3.49Å; L416-F448 HydrophobicContact CG-CE1 3.79Å; L416-F448 HydrophobicContact CG-CE2 4.33Å; L416-F448 HydrophobicContact CG-CZ 3.56Å
417F88.7Confident91Very high8 Ų811.7 Ų11.74%0.0356%0.063CC..Hα-helixtrans-66.6-41177.5-176.1-98.4000111.9A163 T164 A346 Q349 I350 A413 M414 P419 V514 L518A163-F417 HydrophobicContact CB-CD1 3.86Å; A163-F417 HydrophobicContact CB-CE1 4.08Å; T164-F417 HydrophobicContact CG2-CE1 4.01Å; T164-F417 HydrophobicContact CG2-CZ 4.03Å; A346-F417 HydrophobicContact CB-CE1 4.28Å; A346-F417 HydrophobicContact CB-CE2 3.89Å; A346-F417 HydrophobicContact CB-CZ 3.45Å; A346-F417 VanDerWaalsContact CB-CZ 3.45Å; Q349-F417 HydrophobicContact CB-CD2 4.22Å; Q349-F417 HydrophobicContact CB-CE2 4.23Å; Q349-F417 HydrophobicContact CG-CD2 3.98Å; Q349-F417 HydrophobicContact CG-CE2 4.37Å; I350-F417 HydrophobicContact CD1-CD1 4.25Å; I350-F417 HydrophobicContact CD1-CD2 4.26Å; I350-F417 HydrophobicContact CD1-CG 4.1Å; I350-F417 HydrophobicContact CG1-CB 3.96Å; I350-F417 HydrophobicContact CG1-CD1 4.45Å; I350-F417 HydrophobicContact CG1-CD2 3.78Å; I350-F417 HydrophobicContact CG1-CE2 4.38Å; I350-F417 HydrophobicContact CG1-CG 3.8Å; A413-F417 WeakPolarHBondContact O-CB 3.49Å; A413-F417 PolarHBondContact O-N 2.88Å; M414-F417 PolarHBondContact O-N 2.86Å; F417-P419 WeakPolarHBondContact O-CD 3.41Å; F417-V514 HydrophobicContact CE2-CG1 4.3Å; F417-L518 HydrophobicContact CE1-CD1 4.37Å; F417-L518 HydrophobicContact CE2-CD1 4.06Å; F417-L518 HydrophobicContact CZ-CD1 3.42Å; F417-L518 VanDerWaalsContact CZ-CD1 3.42Å
418K86Confident90.8Very high64 Ų6412 Ų1228%0.2787%0.065SC..SBendtrans-122.582.5177.4-170.5172.5-176.4172.80110.5E162 A163 M414 L415E162-K418 PolarHBondContact O-NZ 3.43Å; A163-K418 HydrophobicContact CB-CD 4.47Å; M414-K418 PolarHBondContact O-N 3.25Å; L415-K418 CarbonylContact O-C 3.44Å
419P86Confident90.7Very high57 Ų5712 Ų1237%0.377%0.065SC..  trans-65.4145.1-175.525.8-33.8000111.9L415 F417 Y423L415-P419 WeakPolarHBondContact O-CA 3.35Å; F417-P419 WeakPolarHBondContact O-CD 3.41Å; P419-Y423 VanDerWaalsContact CA-OH 3.29Å; P419-Y423 WeakPolarHBondContact CA-OH 3.42Å
420A87.6Confident90.2Very high10 Ų1014.9 Ų14.98%0.0839%0.089CC..  trans-127.6151.6173.300000109.3F138 V422 Y423 S451F138-A420 HydrophobicContact CB-CB 3.71Å; F138-A420 HydrophobicContact CG-CB 4.42Å; A420-V422 VanDerWaalsContact C-N 3.25Å; A420-V422 PolarHBondContact O-N 2.94Å; A420-Y423 HydrophobicContact CB-CD1 4.34Å; A420-Y423 HydrophobicContact CB-CE1 3.75Å; A420-Y423 PolarHBondContact N-OH 3.15Å; A420-Y423 WeakPolarHBondContact O-CE2 3.39Å; A420-S451 WeakPolarHBondContact O-CB 3.23Å; A420-S451 PolarHBondContact O-OG 3.41Å
421P87.9Confident89.7Confident25 Ų2517.7 Ų17.716%0.16211%0.113CC..SBendtrans-70.3-24.5179.526.8-34.4000113.1M1 A129 L131 Q452M1-P421 WeakPolarHBondContact O-CB 3.46Å; A129-P421 WeakPolarHBondContact O-CG 3.42Å; L131-P421 HydrophobicContact CD1-CG 4.26Å; L131-P421 HydrophobicContact CD2-CG 3.81Å; L131-P421 HydrophobicContact CG-CG 3.78Å; P421-Q452 WeakPolarHBondContact O-CB 3.47Å; P421-Q452 PolarHBondContact O-N 2.81Å
422V92.1Very high89.4Confident3 Ų317.5 Ų17.52%0.01811%0.111CC..EExtended strand (participates in β ladder)trans-134.9133.4-177.6-175.50000108.8I3 L131 F138 A420 I424 Q452I3-V422 HydrophobicContact CD1-CG1 4.01Å; I3-V422 HydrophobicContact CG1-CG1 4.47Å; I3-V422 HydrophobicContact CG1-CG2 4.31Å; L131-V422 HydrophobicContact CD2-CB 4.27Å; F138-V422 VanDerWaalsContact CB-O 3.24Å; F138-V422 WeakPolarHBondContact CB-O 3.34Å; F138-V422 WeakPolarHBondContact CD2-O 3.47Å; A420-V422 VanDerWaalsContact C-N 3.25Å; A420-V422 PolarHBondContact O-N 2.94Å; V422-I424 HydrophobicContact CG1-CG1 4.44Å; V422-Q452 CarbonylContact C-O 3.59Å; V422-Q452 VanDerWaalsContact CA-O 3.27Å; V422-Q452 WeakPolarHBondContact CA-O 3.19Å; V422-Q452 HydrophobicContact CG2-CB 4.29Å
423Y94.1Very high89.1Confident1 Ų121.3 Ų21.30%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-121.9135.2173.7-62.6-68.3000110.5F138 L415 P419 A420 F448 S451 Q452 F453 L454F138-Y423 HydrophobicContact CB-CD1 3.78Å; F138-Y423 HydrophobicContact CB-CE1 4.17Å; F138-Y423 CarbonylContact O-C 3.21Å; F138-Y423 WeakPolarHBondContact O-CA 3.47Å; L415-Y423 HydrophobicContact CB-CE1 3.88Å; L415-Y423 HydrophobicContact CD1-CD1 3.8Å; L415-Y423 HydrophobicContact CD1-CE1 3.91Å; L415-Y423 HydrophobicContact CD1-CG 4.37Å; L415-Y423 HydrophobicContact CD2-CD1 4.03Å; L415-Y423 HydrophobicContact CD2-CE1 3.72Å; L415-Y423 HydrophobicContact CG-CD1 4.35Å; L415-Y423 HydrophobicContact CG-CE1 4.01Å; L415-Y423 PolarHBondContact O-OH 3.37Å; L415-Y423 VanDerWaalsContact O-OH 3.07Å; P419-Y423 VanDerWaalsContact CA-OH 3.29Å; P419-Y423 WeakPolarHBondContact CA-OH 3.42Å; A420-Y423 HydrophobicContact CB-CD1 4.34Å; A420-Y423 HydrophobicContact CB-CE1 3.75Å; A420-Y423 PolarHBondContact N-OH 3.15Å; A420-Y423 WeakPolarHBondContact O-CE2 3.39Å; Y423-F448 AromaticContact CE2-CD1 3.74Å; Y423-F448 HydrophobicContact CE2-CD1 3.74Å; Y423-F448 HydrophobicContact CE2-CE1 4.11Å; Y423-S451 VanDerWaalsContact CE2-OG 3.29Å; Y423-S451 WeakPolarHBondContact CE2-OG 3.45Å; Y423-Q452 PolarHBondContact N-O 2.94Å; Y423-F453 HydrophobicContact CD2-CD1 4.32Å; Y423-F453 HydrophobicContact CD2-CD2 4.13Å; Y423-F453 AromaticContact CD2-CE1 3.71Å; Y423-F453 HydrophobicContact CD2-CE1 3.71Å; Y423-F453 AromaticContact CD2-CE2 3.46Å; Y423-F453 HydrophobicContact CD2-CE2 3.46Å; Y423-F453 VanDerWaalsContact CD2-CE2 3.46Å; Y423-F453 AromaticContact CD2-CZ 3.22Å; Y423-F453 HydrophobicContact CD2-CZ 3.22Å; Y423-F453 HydrophobicContact CE2-CE2 4.04Å; Y423-F453 AromaticContact CE2-CZ 3.79Å; Y423-F453 HydrophobicContact CE2-CZ 3.79Å; Y423-F453 HydrophobicContact CG-CD1 4.43Å; Y423-F453 AromaticContact CG-CE1 3.92Å; Y423-F453 HydrophobicContact CG-CE1 3.92Å; Y423-F453 HydrophobicContact CG-CE2 4.42Å; Y423-F453 AromaticContact CG-CZ 3.92Å; Y423-F453 HydrophobicContact CG-CZ 3.92Å; Y423-F453 WeakPolarHBondContact O-CA 2.89Å; Y423-L454 PolarHBondContact O-N 3.47Å
424I94.1Very high88.6Confident0 Ų025.9 Ų25.90%016%0.16CC..EExtended strand (participates in β ladder)trans-119.3117.8-178-61.8170.3000108.1L42 V45 L49 F138 I139 V140 V422 L454L42-I424 HydrophobicContact CB-CG2 4.07Å; L42-I424 HydrophobicContact CD1-CG2 3.73Å; L42-I424 HydrophobicContact CD2-CG2 3.73Å; L42-I424 HydrophobicContact CG-CG2 4.04Å; V45-I424 HydrophobicContact CB-CD1 4.24Å; V45-I424 HydrophobicContact CG1-CD1 3.46Å; V45-I424 VanDerWaalsContact CG1-CD1 3.46Å; L49-I424 HydrophobicContact CD1-CD1 4.29Å; F138-I424 HydrophobicContact CE2-CD1 4.46Å; F138-I424 PolarHBondContact O-N 2.77Å; I139-I424 WeakPolarHBondContact CA-O 3.13Å; I139-I424 HydrophobicContact CG1-CB 4.45Å; I139-I424 HydrophobicContact CG1-CD1 4.34Å; V140-I424 PolarHBondContact N-O 3.41Å; V422-I424 HydrophobicContact CG1-CG1 4.44Å; I424-L454 WeakPolarHBondContact CA-O 3.48Å
425L93.9Very high88.3Confident2 Ų229 Ų291%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-123.9117.6-175.9-48.5-180000109.6V140 F412 I428 I444 F453 L454 V455 V456V140-L425 HydrophobicContact CB-CD2 3.6Å; V140-L425 HydrophobicContact CG2-CD2 3.52Å; F412-L425 HydrophobicContact CE1-CD1 4.32Å; F412-L425 HydrophobicContact CZ-CD1 4.32Å; L425-I428 HydrophobicContact CB-CD1 4.21Å; L425-I428 HydrophobicContact CB-CG1 4.14Å; L425-I428 HydrophobicContact CB-CG2 3.97Å; L425-I428 HydrophobicContact CD1-CD1 3.71Å; L425-I428 HydrophobicContact CG-CD1 4.47Å; L425-I444 HydrophobicContact CD1-CD1 4.28Å; L425-F453 HydrophobicContact CD1-CD1 3.77Å; L425-F453 HydrophobicContact CD1-CE1 4Å; L425-F453 HydrophobicContact CG-CD1 4.35Å; L425-L454 PolarHBondContact N-O 3.02Å; L425-V455 HydrophobicContact CB-CB 4.49Å; L425-V455 HydrophobicContact CB-CG1 4.21Å; L425-V455 HydrophobicContact CB-CG2 4.13Å; L425-V455 HydrophobicContact CD1-CG2 3.9Å; L425-V455 HydrophobicContact CG-CG2 4.22Å; L425-V455 CarbonylContact O-C 3.34Å; L425-V455 WeakPolarHBondContact O-CA 3.33Å; L425-V456 PolarHBondContact O-N 3.29Å
426D93.3Very high88.1Confident1 Ų130.3 Ų30.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-107.9108.7-179.6-162.114.7000110.5S39 L42 R58 V140 M141 Q142 I428 V456S39-D426 WeakPolarHBondContact CB-OD1 3.32Å; S39-D426 WeakPolarHBondContact CB-OD2 3.46Å; S39-D426 PolarHBondContact OG-OD1 3.02Å; L42-D426 HydrophobicContact CD1-CB 3.63Å; R58-D426 IonicContact CZ-OD2 2.78Å; R58-D426 IonicContact NH1-OD2 3.53Å; R58-D426 PolarHBondContact NH1-OD2 2.96Å; R58-D426 IonicContact NH2-OD2 2.62Å; R58-D426 PolarHBondContact NH2-OD2 3.03Å; V140-D426 PolarHBondContact O-N 3.42Å; M141-D426 HydrophobicContact SD-CB 3.96Å; Q142-D426 WeakPolarHBondContact CA-O 3.45Å; Q142-D426 PolarHBondContact N-O 3.47Å; D426-I428 PolarHBondContact O-N 3.46Å; D426-I428 VanDerWaalsContact O-N 3.09Å; D426-V456 WeakPolarHBondContact OD1-CB 3.34Å; D426-V456 WeakPolarHBondContact OD1-CG1 3.45Å
427E90.2Very high88Confident33 Ų3329.9 Ų29.915%0.15418%0.183CC..SBendtrans50.936.8174-59.8-170.9169.300114.2Q142 D429 A430 V456Q142-E427 HydrophobicContact CG-CB 4.49Å; Q142-E427 PolarHBondContact NE2-OE2 2.99Å; E427-D429 PolarHBondContact O-N 3.08Å; E427-D429 VanDerWaalsContact O-N 3.12Å; E427-A430 WeakPolarHBondContact O-CB 3.49Å; E427-A430 PolarHBondContact O-N 2.96Å; E427-V456 WeakPolarHBondContact CA-O 3.48Å; E427-V456 HydrophobicContact CG-CG1 3.96Å; E427-V456 PolarHBondContact N-O 2.94Å
428I88.5Confident88Confident6 Ų632.8 Ų32.83%0.03120%0.197CC..THydrogen-bonded Turntrans-63.5-17.2179.357.8151.1000113.3V140 I145 L408 F412 L425 D426V140-I428 HydrophobicContact CB-CG2 4.09Å; V140-I428 HydrophobicContact CG1-CG2 3.6Å; I145-I428 HydrophobicContact CD1-CB 3.87Å; I145-I428 HydrophobicContact CD1-CG2 4.36Å; I145-I428 WeakPolarHBondContact CD1-O 3.19Å; L408-I428 HydrophobicContact CD1-CB 4.33Å; L408-I428 HydrophobicContact CD1-CD1 3.8Å; L408-I428 HydrophobicContact CD2-CD1 4.34Å; F412-I428 HydrophobicContact CZ-CD1 4.23Å; L425-I428 HydrophobicContact CB-CD1 4.21Å; L425-I428 HydrophobicContact CB-CG1 4.14Å; L425-I428 HydrophobicContact CB-CG2 3.97Å; L425-I428 HydrophobicContact CD1-CD1 3.71Å; L425-I428 HydrophobicContact CG-CD1 4.47Å; D426-I428 PolarHBondContact O-N 3.46Å; D426-I428 VanDerWaalsContact O-N 3.09Å
429D87.6Confident88Confident3 Ų333.5 Ų33.52%0.01620%0.198CC..THydrogen-bonded Turntrans-101.65.9-175.261.5-16.3000113.3E427 A431 L432 T437 S457 K459 M462E427-D429 PolarHBondContact O-N 3.08Å; E427-D429 VanDerWaalsContact O-N 3.12Å; D429-A431 PolarHBondContact O-N 3.22Å; D429-A431 VanDerWaalsContact O-N 3.08Å; D429-L432 HydrophobicContact CB-CD1 4.23Å; D429-L432 WeakPolarHBondContact O-CB 3.43Å; D429-L432 PolarHBondContact O-N 3.23Å; D429-T437 HydrophobicContact CB-CG2 3.72Å; D429-S457 PolarHBondContact OD1-OG 3.42Å; D429-S457 WeakPolarHBondContact OD2-CB 3.24Å; D429-S457 PolarHBondContact OD2-OG 3.49Å; D429-K459 HydrophobicContact CB-CD 4.43Å; D429-K459 WeakPolarHBondContact O-CD 3.48Å; D429-K459 WeakPolarHBondContact O-CE 3.4Å; D429-K459 PolarHBondContact O-NZ 2.96Å; D429-M462 HydrophobicContact CB-CE 3.83Å; D429-M462 WeakPolarHBondContact OD2-CB 3.17Å
430A83.7Confident88.1Confident61 Ų6130.8 Ų30.850%0.50418%0.18SC..THydrogen-bonded Turntrans-51.5-38.2-173.500000114.2E427 K459E427-A430 WeakPolarHBondContact O-CB 3.49Å; E427-A430 PolarHBondContact O-N 2.96Å; A430-K459 VanDerWaalsContact C-NZ 3.27Å; A430-K459 PolarHBondContact O-NZ 2.94Å
431A82.8Confident88.2Confident61 Ų6130.3 Ų30.350%0.50418%0.176SC..THydrogen-bonded Turntrans-92.90.8-178.300000115.1D429D429-A431 PolarHBondContact O-N 3.22Å; D429-A431 VanDerWaalsContact O-N 3.08Å
432L86.5Confident88Confident8 Ų833.3 Ų33.34%0.04219%0.188CC..  trans-96.6153.7-171.5-54.4-175.9000112.8L405 L408 D429 H436 T437 I440 K459L405-L432 HydrophobicContact CD2-CD1 3.89Å; L405-L432 HydrophobicContact CD2-CD2 3.77Å; L405-L432 HydrophobicContact CD2-CG 4.47Å; L405-L432 HydrophobicContact CG-CD2 3.72Å; L408-L432 HydrophobicContact CD2-CD1 4.12Å; D429-L432 HydrophobicContact CB-CD1 4.23Å; D429-L432 WeakPolarHBondContact O-CB 3.43Å; D429-L432 PolarHBondContact O-N 3.23Å; L432-H436 HydrophobicContact CB-CB 4.21Å; L432-T437 HydrophobicContact CB-CG2 4.08Å; L432-I440 HydrophobicContact CD1-CD1 3.18Å; L432-K459 PolarHBondContact O-NZ 2.93Å
433D85.3Confident87.8Confident80 Ų8033.2 Ų33.243%0.42819%0.187SC..  trans-81.2176.7172.26915.1000111.9V435 H436 T437D433-V435 VanDerWaalsContact C-N 3.34Å; D433-V435 PolarHBondContact O-N 2.97Å; D433-V435 PolarHBondContact OD1-N 3.02Å; D433-H436 PolarHBondContact O-N 3.41Å; D433-H436 VanDerWaalsContact OD1-CB 3.25Å; D433-H436 WeakPolarHBondContact OD1-CB 3.04Å; D433-H436 IonicContact OD1-CD2 3.5Å; D433-H436 PolarHBondContact OD1-CD2 2.65Å; D433-H436 IonicContact OD1-CG 3.81Å; D433-H436 PolarHBondContact OD1-N 3.12Å; D433-H436 IonicContact OD1-NE2 3.72Å; D433-H436 IonicContact OD2-CD2 3.98Å; D433-H436 IonicContact OD2-NE2 2.69Å; D433-T437 VanDerWaalsContact O-CG2 3.26Å; D433-T437 WeakPolarHBondContact O-CG2 3.24Å; D433-T437 PolarHBondContact O-N 2.98Å; D433-T437 PolarHBondContact O-OG1 2.94Å
434V82.4Confident87.5Confident97 Ų9733.2 Ų33.259%0.58819%0.187SC*.Hα-helixtrans-62.1-41.7-178.8-179.40000111.4H436 T437 E438V434-H436 PolarHBondContact O-N 3.08Å; V434-T437 WeakPolarHBondContact CA-OG1 3.45Å; V434-T437 PolarHBondContact O-N 3.01Å; V434-T437 PolarHBondContact O-OG1 3.37Å; V434-E438 PolarHBondContact O-N 3.32Å
435V85Confident86.9Confident78 Ų7837 Ų3747%0.47320%0.202SC..Hα-helixtrans-62-46.4-178.2178.50000110.8D433 E438 R439D433-V435 VanDerWaalsContact C-N 3.34Å; D433-V435 PolarHBondContact O-N 2.97Å; D433-V435 PolarHBondContact OD1-N 3.02Å; V435-E438 PolarHBondContact O-N 3.25Å; V435-R439 WeakPolarHBondContact O-CG 3.42Å; V435-R439 PolarHBondContact O-N 3.09Å; V435-R439 VanDerWaalsContact O-N 3.15Å
436H85.6Confident86.4Confident30 Ų3040.9 Ų40.914%0.13922%0.22CC..Hα-helixtrans-65.7-40.4177.1-66.5-40.2000112L362 L405 L432 D433 V434 E438 R439 I440L362-H436 WeakPolarHBondContact CD2-CE1 3.42Å; L405-H436 HydrophobicContact CD1-CB 4.35Å; L405-H436 HydrophobicContact CD2-CB 4.2Å; L432-H436 HydrophobicContact CB-CB 4.21Å; D433-H436 PolarHBondContact O-N 3.41Å; D433-H436 VanDerWaalsContact OD1-CB 3.25Å; D433-H436 WeakPolarHBondContact OD1-CB 3.04Å; D433-H436 IonicContact OD1-CD2 3.5Å; D433-H436 PolarHBondContact OD1-CD2 2.65Å; D433-H436 IonicContact OD1-CG 3.81Å; D433-H436 PolarHBondContact OD1-N 3.12Å; D433-H436 IonicContact OD1-NE2 3.72Å; D433-H436 IonicContact OD2-CD2 3.98Å; D433-H436 IonicContact OD2-NE2 2.69Å; V434-H436 PolarHBondContact O-N 3.08Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.68Å; H436-R439 PolarHBondContact O-N 3.19Å; H436-I440 WeakPolarHBondContact O-CD1 3.42Å; H436-I440 VanDerWaalsContact O-CG1 3.29Å; H436-I440 WeakPolarHBondContact O-CG1 3.11Å; H436-I440 PolarHBondContact O-N 2.66Å
437T87.5Confident86Confident0 Ų042.4 Ų42.40%023%0.226CC..Hα-helixtrans-62.5-37.5176.659.90000113.2D429 L432 D433 V434 I440 G441 K459 G461D429-T437 HydrophobicContact CB-CG2 3.72Å; L432-T437 HydrophobicContact CB-CG2 4.08Å; D433-T437 VanDerWaalsContact O-CG2 3.26Å; D433-T437 WeakPolarHBondContact O-CG2 3.24Å; D433-T437 PolarHBondContact O-N 2.98Å; D433-T437 PolarHBondContact O-OG1 2.94Å; V434-T437 WeakPolarHBondContact CA-OG1 3.45Å; V434-T437 PolarHBondContact O-N 3.01Å; V434-T437 PolarHBondContact O-OG1 3.37Å; T437-I440 PolarHBondContact O-N 2.93Å; T437-G441 PolarHBondContact O-N 3.06Å; T437-K459 HydrophobicContact CG2-CB 3.93Å; T437-K459 HydrophobicContact CG2-CD 3.49Å; T437-K459 VanDerWaalsContact CG2-CD 3.49Å; T437-K459 HydrophobicContact CG2-CG 4.3Å; T437-G461 WeakPolarHBondContact OG1-CA 3.32Å
438E87.2Confident85.7Confident68 Ų6841.4 Ų41.432%0.31822%0.222SC..Hα-helixtrans-65.5-46176.5-174.6166.3-149.400111.6V434 V435 H436 I440 G441 E442 G461 N465 K488V434-E438 PolarHBondContact O-N 3.32Å; V435-E438 PolarHBondContact O-N 3.25Å; H436-E438 VanDerWaalsContact C-N 3.31Å; H436-E438 PolarHBondContact O-N 2.68Å; E438-I440 VanDerWaalsContact C-N 3.31Å; E438-I440 PolarHBondContact O-N 2.93Å; E438-G441 PolarHBondContact O-N 3.33Å; E438-E442 PolarHBondContact O-N 3.42Å; E438-G461 WeakPolarHBondContact CA-O 3.36Å; E438-N465 PolarHBondContact O-ND2 3.2Å; E438-K488 IonicContact OE1-NZ 2.62Å; E438-K488 PolarHBondContact OE1-NZ 2.97Å
439R86.7Confident85.2Confident80 Ų8042.3 Ų42.330%0.30223%0.227SC..Hα-helixtrans-60.1-38.8175.8-71.2-178.9-178.6177.2-0.9112.8M361 V435 H436 E442 M443M361-R439 WeakPolarHBondContact O-CD 3.4Å; M361-R439 PolarHBondContact O-NH1 2.94Å; V435-R439 WeakPolarHBondContact O-CG 3.42Å; V435-R439 PolarHBondContact O-N 3.09Å; V435-R439 VanDerWaalsContact O-N 3.15Å; H436-R439 PolarHBondContact O-N 3.19Å; R439-E442 PolarHBondContact O-N 3.35Å; R439-M443 VanDerWaalsContact O-CB 3.26Å; R439-M443 WeakPolarHBondContact O-CB 3.07Å; R439-M443 PolarHBondContact O-N 3.24Å
440I88.7Confident84.9Confident0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-66.2-44.7176.3-66.6158000110.6M361 L405 L408 F412 L432 H436 T437 E438 E442 M443 I444 M462M361-I440 HydrophobicContact CE-CG1 3.83Å; M361-I440 HydrophobicContact SD-CG1 4.17Å; L405-I440 HydrophobicContact CD2-CD1 4.06Å; L408-I440 HydrophobicContact CD2-CD1 3.42Å; L408-I440 VanDerWaalsContact CD2-CD1 3.42Å; L408-I440 HydrophobicContact CD2-CG1 4.05Å; L408-I440 HydrophobicContact CD2-CG2 4.4Å; F412-I440 HydrophobicContact CE2-CG2 3.95Å; F412-I440 HydrophobicContact CZ-CG2 4.06Å; L432-I440 HydrophobicContact CD1-CD1 3.18Å; H436-I440 WeakPolarHBondContact O-CD1 3.42Å; H436-I440 VanDerWaalsContact O-CG1 3.29Å; H436-I440 WeakPolarHBondContact O-CG1 3.11Å; H436-I440 PolarHBondContact O-N 2.66Å; T437-I440 PolarHBondContact O-N 2.93Å; E438-I440 VanDerWaalsContact C-N 3.31Å; E438-I440 PolarHBondContact O-N 2.93Å; I440-E442 VanDerWaalsContact C-N 3.28Å; I440-E442 PolarHBondContact O-N 3.25Å; I440-M443 PolarHBondContact O-N 2.69Å; I440-I444 HydrophobicContact CG2-CD1 4Å; I440-I444 HydrophobicContact CG2-CG1 4.36Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 2.94Å; I440-M462 HydrophobicContact CB-CE 3.96Å; I440-M462 HydrophobicContact CG2-CE 3.66Å; I440-M462 HydrophobicContact CG2-SD 4.26Å
441G88Confident85.2Confident0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-60.1-38.2176.400000112.6T437 E438 R445T437-G441 PolarHBondContact O-N 3.06Å; E438-G441 PolarHBondContact O-N 3.33Å; G441-R445 PolarHBondContact O-N 3.34Å
442E85.3Confident85.7Confident87 Ų8743.4 Ų43.441%0.40721%0.213SC..Hα-helixtrans-65.6-47.8172.3-75.5175.7175.800112.4E438 R439 I440 I444 R445 E446E438-E442 PolarHBondContact O-N 3.42Å; R439-E442 PolarHBondContact O-N 3.35Å; I440-E442 VanDerWaalsContact C-N 3.28Å; I440-E442 PolarHBondContact O-N 3.25Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 3.06Å; E442-R445 VanDerWaalsContact CG-NH2 3.3Å; E442-R445 PolarHBondContact O-N 3.49Å; E442-R445 VanDerWaalsContact O-N 3.16Å; E442-E446 PolarHBondContact O-N 2.78Å
443M87.1Confident86.1Confident1 Ų143.1 Ų43.11%0.00521%0.211CC..Hα-helixtrans-60.6-39.9179.2-177.7-134.461.700112I357 I360 M361 F412 R439 I440 R445 E446 K447 F448I357-M443 HydrophobicContact CG1-SD 4.29Å; I357-M443 HydrophobicContact CG2-SD 3.6Å; I360-M443 HydrophobicContact CG2-CB 4.2Å; I360-M443 HydrophobicContact CG2-CG 4.34Å; M361-M443 HydrophobicContact CE-CE 4.14Å; M361-M443 HydrophobicContact CE-SD 3.42Å; M361-M443 WeakPolarHBondContact CE-SD 3.46Å; F412-M443 HydrophobicContact CD1-CE 3.85Å; F412-M443 HydrophobicContact CD2-CE 3.63Å; F412-M443 HydrophobicContact CD2-SD 4.1Å; F412-M443 HydrophobicContact CE1-CE 3.87Å; F412-M443 HydrophobicContact CE2-CE 3.6Å; F412-M443 HydrophobicContact CE2-SD 4.47Å; F412-M443 HydrophobicContact CG-CE 3.76Å; F412-M443 HydrophobicContact CG-SD 4.36Å; F412-M443 HydrophobicContact CZ-CE 3.74Å; R439-M443 VanDerWaalsContact O-CB 3.26Å; R439-M443 WeakPolarHBondContact O-CB 3.07Å; R439-M443 PolarHBondContact O-N 3.24Å; I440-M443 PolarHBondContact O-N 2.69Å; M443-R445 VanDerWaalsContact C-N 3.32Å; M443-R445 PolarHBondContact O-N 3.06Å; M443-E446 PolarHBondContact O-N 2.92Å; M443-K447 HydrophobicContact CG-CG 3.99Å; M443-K447 WeakPolarHBondContact O-CB 3.47Å; M443-K447 PolarHBondContact O-N 3.38Å; M443-F448 HydrophobicContact CE-CE2 4.24Å
444I88.6Confident86.6Confident2 Ų239.6 Ų39.61%0.0119%0.192CC..Hα-helixtrans-57.4-46.8175.8-73.5170.5000110.2F27 F412 L425 I440 E442 F448 F453 M462F27-I444 HydrophobicContact CD1-CG2 4.34Å; F27-I444 HydrophobicContact CG-CG2 4.45Å; F412-I444 HydrophobicContact CE1-CD1 4.47Å; F412-I444 HydrophobicContact CE1-CG1 4.13Å; F412-I444 HydrophobicContact CZ-CD1 4.12Å; F412-I444 HydrophobicContact CZ-CG1 4.04Å; L425-I444 HydrophobicContact CD1-CD1 4.28Å; I440-I444 HydrophobicContact CG2-CD1 4Å; I440-I444 HydrophobicContact CG2-CG1 4.36Å; I440-I444 WeakPolarHBondContact O-CG1 3.47Å; I440-I444 PolarHBondContact O-N 2.94Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 3.06Å; I444-F448 WeakPolarHBondContact O-CB 3.49Å; I444-F448 PolarHBondContact O-N 3.4Å; I444-F448 VanDerWaalsContact O-N 3.09Å; I444-F453 HydrophobicContact CD1-CD1 4.31Å; I444-F453 HydrophobicContact CD1-CE1 4.46Å; I444-F453 HydrophobicContact CG1-CE1 4.3Å; I444-F453 HydrophobicContact CG2-CB 4.36Å; I444-F453 HydrophobicContact CG2-CD1 3.87Å; I444-F453 HydrophobicContact CG2-CD2 3.61Å; I444-F453 HydrophobicContact CG2-CE1 4.02Å; I444-F453 HydrophobicContact CG2-CE2 3.78Å; I444-F453 HydrophobicContact CG2-CG 3.66Å; I444-F453 HydrophobicContact CG2-CZ 3.98Å; I444-M462 HydrophobicContact CD1-SD 4.35Å
445R81.9Confident87.2Confident79 Ų7935 Ų3530%0.29816%0.164SC..Hα-helixtrans-66.9-38.1179.2-69.5-169.6-59.9-116.3-7.4113.3F27 G441 E442 M443 N465F27-R445 HydrophobicContact CD1-CG 4.13Å; G441-R445 PolarHBondContact O-N 3.34Å; E442-R445 VanDerWaalsContact CG-NH2 3.3Å; E442-R445 PolarHBondContact O-N 3.49Å; E442-R445 VanDerWaalsContact O-N 3.16Å; M443-R445 VanDerWaalsContact C-N 3.32Å; M443-R445 PolarHBondContact O-N 3.06Å; R445-N465 VanDerWaalsContact NH1-C 3.33Å; R445-N465 PolarHBondContact NH1-O 3.04Å; R445-N465 PolarHBondContact NH1-OD1 3.48Å; R445-N465 PolarHBondContact NH2-OD1 3.3Å
446E82.2Confident87.7Confident84 Ų8431.3 Ų31.339%0.39314%0.142SC..Hα-helixtrans-73.7-49.4-178.4-169.7-164.2130.200111.6E442 M443 H504E442-E446 PolarHBondContact O-N 2.78Å; M443-E446 PolarHBondContact O-N 2.92Å; E446-H504 IonicContact OE1-CE1 3.32Å
447K84.4Confident88Confident33 Ų3329.9 Ų29.914%0.14314%0.135CC..Hα-helixtrans-85.8-20.8-170.3-62.9-53.7-170.4-154.20114.1L416 M443 P449L416-K447 HydrophobicContact CD2-CB 4.28Å; M443-K447 HydrophobicContact CG-CG 3.99Å; M443-K447 WeakPolarHBondContact O-CB 3.47Å; M443-K447 PolarHBondContact O-N 3.38Å; K447-P449 WeakPolarHBondContact O-CD 3.33Å
448F85.6Confident88Confident12 Ų1233.6 Ų33.65%0.05316%0.155CC..  trans-127.258.2-177.6-56.1-93.9000113.1F412 L415 L416 Y423 M443 I444 H450 S451 F453F412-F448 HydrophobicContact CB-CZ 4.49Å; F412-F448 AromaticContact CD1-CE2 3.81Å; F412-F448 HydrophobicContact CD1-CE2 3.81Å; F412-F448 AromaticContact CD1-CZ 3.94Å; F412-F448 HydrophobicContact CD1-CZ 3.94Å; F412-F448 HydrophobicContact CE1-CE2 4.42Å; L415-F448 HydrophobicContact CB-CE1 3.84Å; L415-F448 HydrophobicContact CB-CZ 3.98Å; L416-F448 HydrophobicContact CD1-CZ 4.47Å; L416-F448 HydrophobicContact CD2-CD1 3.84Å; L416-F448 HydrophobicContact CD2-CD2 4.48Å; L416-F448 HydrophobicContact CD2-CE1 3.36Å; L416-F448 HydrophobicContact CD2-CE2 4.07Å; L416-F448 HydrophobicContact CD2-CG 4.38Å; L416-F448 HydrophobicContact CD2-CZ 3.49Å; L416-F448 VanDerWaalsContact CD2-CZ 3.49Å; L416-F448 HydrophobicContact CG-CE1 3.79Å; L416-F448 HydrophobicContact CG-CE2 4.33Å; L416-F448 HydrophobicContact CG-CZ 3.56Å; Y423-F448 AromaticContact CE2-CD1 3.74Å; Y423-F448 HydrophobicContact CE2-CD1 3.74Å; Y423-F448 HydrophobicContact CE2-CE1 4.11Å; M443-F448 HydrophobicContact CE-CE2 4.24Å; I444-F448 WeakPolarHBondContact O-CB 3.49Å; I444-F448 PolarHBondContact O-N 3.4Å; I444-F448 VanDerWaalsContact O-N 3.09Å; F448-H450 PolarHBondContact O-N 2.88Å; F448-H450 VanDerWaalsContact O-N 3.07Å; F448-S451 PolarHBondContact O-N 3.46Å; F448-F453 HydrophobicContact CB-CE2 3.35Å; F448-F453 HydrophobicContact CB-CZ 3.73Å; F448-F453 HydrophobicContact CD1-CE2 4.34Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CE2 4.25Å; F448-F453 AromaticContact CD2-CZ 3.76Å; F448-F453 HydrophobicContact CD2-CZ 3.76Å; F448-F453 HydrophobicContact CE1-CZ 4.49Å; F448-F453 HydrophobicContact CE2-CZ 4.32Å; F448-F453 AromaticContact CG-CE2 3.77Å; F448-F453 HydrophobicContact CG-CE2 3.77Å; F448-F453 AromaticContact CG-CZ 3.57Å; F448-F453 HydrophobicContact CG-CZ 3.57Å
449P77.7Confident88.1Confident24 Ų2432.7 Ų32.716%0.15615%0.15CC..THydrogen-bonded Turntrans-69.9-5.9-175.931-38000114.4H26 K447 I500H26-P449 PolarHBondContact CD2-O 2.85Å; H26-P449 PolarHBondContact NE2-O 3.28Å; K447-P449 WeakPolarHBondContact O-CD 3.33Å; P449-I500 HydrophobicContact CB-CG2 4.49Å; P449-I500 HydrophobicContact CG-CG2 4.44Å
450H80.2Confident88.1Confident134 Ų13435.4 Ų35.462%0.6217%0.166SC*.THydrogen-bonded Turntrans-124.112.3-176-59.8-42000113.1F448F448-H450 PolarHBondContact O-N 2.88Å; F448-H450 VanDerWaalsContact O-N 3.07Å
451S89.8Confident88Confident11 Ų1135.6 Ų35.68%0.07717%0.168CC..SBendtrans-120.5138.6179.2-62.40000109.9A420 Y423 F448 F453A420-S451 WeakPolarHBondContact O-CB 3.23Å; A420-S451 PolarHBondContact O-OG 3.41Å; Y423-S451 VanDerWaalsContact CE2-OG 3.29Å; Y423-S451 WeakPolarHBondContact CE2-OG 3.45Å; F448-S451 PolarHBondContact O-N 3.46Å; S451-F453 WeakPolarHBondContact O-CD2 3.31Å
452Q93.7Very high88Confident3 Ų335.6 Ų35.61%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-81.2125.4174.7-175.9178.854.700109.9F2 I3 I23 D24 P25 H26 P421 V422 Y423F2-Q452 HydrophobicContact CB-CB 4.17Å; I3-Q452 PolarHBondContact O-NE2 3.38Å; I23-Q452 VanDerWaalsContact CG2-NE2 3.3Å; D24-Q452 PolarHBondContact O-NE2 3.24Å; P25-Q452 VanDerWaalsContact O-CA 3.22Å; P25-Q452 WeakPolarHBondContact O-CA 3.47Å; P25-Q452 VanDerWaalsContact O-CB 3.29Å; P25-Q452 WeakPolarHBondContact O-CB 3.25Å; P25-Q452 PolarHBondContact O-N 3.48Å; H26-Q452 CarbonylContact O-C 3.59Å; H26-Q452 WeakPolarHBondContact O-CA 3.26Å; P421-Q452 WeakPolarHBondContact O-CB 3.47Å; P421-Q452 PolarHBondContact O-N 2.81Å; V422-Q452 CarbonylContact C-O 3.59Å; V422-Q452 VanDerWaalsContact CA-O 3.27Å; V422-Q452 WeakPolarHBondContact CA-O 3.19Å; V422-Q452 HydrophobicContact CG2-CB 4.29Å; Y423-Q452 PolarHBondContact N-O 2.94Å
453F95.2Very high88.2Confident2 Ų233.1 Ų33.11%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-105.6131.6172.8-76.5-99.8000109.8H26 F27 N28 F412 Y423 L425 I444 F448 S451 V455H26-F453 PolarHBondContact O-N 3.24Å; F27-F453 HydrophobicContact CD2-CB 3.9Å; N28-F453 WeakPolarHBondContact CA-O 3.32Å; N28-F453 WeakPolarHBondContact CB-O 3.18Å; N28-F453 PolarHBondContact N-O 2.97Å; N28-F453 PolarHBondContact ND2-O 3.15Å; F412-F453 HydrophobicContact CE1-CE1 4.32Å; Y423-F453 HydrophobicContact CD2-CD1 4.32Å; Y423-F453 HydrophobicContact CD2-CD2 4.13Å; Y423-F453 AromaticContact CD2-CE1 3.71Å; Y423-F453 HydrophobicContact CD2-CE1 3.71Å; Y423-F453 AromaticContact CD2-CE2 3.46Å; Y423-F453 HydrophobicContact CD2-CE2 3.46Å; Y423-F453 VanDerWaalsContact CD2-CE2 3.46Å; Y423-F453 AromaticContact CD2-CZ 3.22Å; Y423-F453 HydrophobicContact CD2-CZ 3.22Å; Y423-F453 HydrophobicContact CE2-CE2 4.04Å; Y423-F453 AromaticContact CE2-CZ 3.79Å; Y423-F453 HydrophobicContact CE2-CZ 3.79Å; Y423-F453 HydrophobicContact CG-CD1 4.43Å; Y423-F453 AromaticContact CG-CE1 3.92Å; Y423-F453 HydrophobicContact CG-CE1 3.92Å; Y423-F453 HydrophobicContact CG-CE2 4.42Å; Y423-F453 AromaticContact CG-CZ 3.92Å; Y423-F453 HydrophobicContact CG-CZ 3.92Å; Y423-F453 WeakPolarHBondContact O-CA 2.89Å; L425-F453 HydrophobicContact CD1-CD1 3.77Å; L425-F453 HydrophobicContact CD1-CE1 4Å; L425-F453 HydrophobicContact CG-CD1 4.35Å; I444-F453 HydrophobicContact CD1-CD1 4.31Å; I444-F453 HydrophobicContact CD1-CE1 4.46Å; I444-F453 HydrophobicContact CG1-CE1 4.3Å; I444-F453 HydrophobicContact CG2-CB 4.36Å; I444-F453 HydrophobicContact CG2-CD1 3.87Å; I444-F453 HydrophobicContact CG2-CD2 3.61Å; I444-F453 HydrophobicContact CG2-CE1 4.02Å; I444-F453 HydrophobicContact CG2-CE2 3.78Å; I444-F453 HydrophobicContact CG2-CG 3.66Å; I444-F453 HydrophobicContact CG2-CZ 3.98Å; F448-F453 HydrophobicContact CB-CE2 3.35Å; F448-F453 HydrophobicContact CB-CZ 3.73Å; F448-F453 HydrophobicContact CD1-CE2 4.34Å; F448-F453 AromaticContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD1-CZ 3.97Å; F448-F453 HydrophobicContact CD2-CE2 4.25Å; F448-F453 AromaticContact CD2-CZ 3.76Å; F448-F453 HydrophobicContact CD2-CZ 3.76Å; F448-F453 HydrophobicContact CE1-CZ 4.49Å; F448-F453 HydrophobicContact CE2-CZ 4.32Å; F448-F453 AromaticContact CG-CE2 3.77Å; F448-F453 HydrophobicContact CG-CE2 3.77Å; F448-F453 AromaticContact CG-CZ 3.57Å; F448-F453 HydrophobicContact CG-CZ 3.57Å; S451-F453 WeakPolarHBondContact O-CD2 3.31Å; F453-V455 HydrophobicContact CB-CG2 4.03Å; F453-V455 HydrophobicContact CD1-CG2 4.4Å
454L96.2Very high88.2Confident7 Ų733.6 Ų33.64%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-117.5101.7166.9-169.165.4000108I6 N28 I30 L42 V45 Y423 I424 L425I6-L454 HydrophobicContact CD1-CD2 4.15Å; N28-L454 HydrophobicContact CB-CD1 3.8Å; I30-L454 HydrophobicContact CD1-CD1 3.69Å; I30-L454 HydrophobicContact CD1-CD2 4.2Å; I30-L454 HydrophobicContact CD1-CG 3.83Å; I30-L454 HydrophobicContact CG1-CD1 4.05Å; L42-L454 HydrophobicContact CD2-CB 4.41Å; L42-L454 HydrophobicContact CD2-CD2 3.38Å; L42-L454 HydrophobicContact CD2-CG 3.63Å; V45-L454 HydrophobicContact CG2-CD2 4.16Å; Y423-L454 PolarHBondContact O-N 3.47Å; I424-L454 WeakPolarHBondContact CA-O 3.48Å; L425-L454 PolarHBondContact N-O 3.02Å
455V95.8Very high88.1Confident0 Ų033.7 Ų33.70%016%0.16CC..EExtended strand (participates in β ladder)trans-113.2122.2-171.3-175.40000110.3F27 N28 A29 I30 L425 F453 M462F27-V455 HydrophobicContact CD2-CG2 4.19Å; F27-V455 HydrophobicContact CE2-CB 3.92Å; F27-V455 HydrophobicContact CE2-CG2 3.53Å; F27-V455 HydrophobicContact CZ-CG2 4.4Å; N28-V455 PolarHBondContact O-N 3.43Å; A29-V455 CarbonylContact C-O 3.53Å; A29-V455 VanDerWaalsContact CA-O 3.29Å; A29-V455 WeakPolarHBondContact CA-O 3.34Å; I30-V455 PolarHBondContact N-O 3.48Å; L425-V455 HydrophobicContact CB-CB 4.49Å; L425-V455 HydrophobicContact CB-CG1 4.21Å; L425-V455 HydrophobicContact CB-CG2 4.13Å; L425-V455 HydrophobicContact CD1-CG2 3.9Å; L425-V455 HydrophobicContact CG-CG2 4.22Å; L425-V455 CarbonylContact O-C 3.34Å; L425-V455 WeakPolarHBondContact O-CA 3.33Å; F453-V455 HydrophobicContact CB-CG2 4.03Å; F453-V455 HydrophobicContact CD1-CG2 4.4Å; V455-M462 HydrophobicContact CG1-CG 4.01Å; V455-M462 HydrophobicContact CG1-SD 4.37Å
456V95.3Very high88.6Confident0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-87.3123.4165.6171.40000108.7I30 K38 L42 L425 D426 E427I30-V456 HydrophobicContact CB-CG2 3.83Å; I30-V456 HydrophobicContact CD1-CG2 4.06Å; I30-V456 HydrophobicContact CG2-CG2 4.08Å; I30-V456 WeakPolarHBondContact O-CA 3.28Å; K38-V456 HydrophobicContact CB-CG1 3.84Å; K38-V456 HydrophobicContact CB-CG2 4.33Å; K38-V456 HydrophobicContact CD-CG1 4Å; L42-V456 HydrophobicContact CD1-CB 4.03Å; L42-V456 HydrophobicContact CD1-CG2 3.4Å; L42-V456 HydrophobicContact CD2-CG2 4.22Å; L42-V456 HydrophobicContact CG-CG2 3.62Å; L425-V456 PolarHBondContact O-N 3.29Å; D426-V456 WeakPolarHBondContact OD1-CB 3.34Å; D426-V456 WeakPolarHBondContact OD1-CG1 3.45Å; E427-V456 WeakPolarHBondContact CA-O 3.48Å; E427-V456 HydrophobicContact CG-CG1 3.96Å; E427-V456 PolarHBondContact N-O 2.94Å
457S92.1Very high89Confident0 Ų027 Ų270%013%0.133CC..  trans-152148.7175.6169.70000112I30 T31 D429 K459 M462I30-S457 PolarHBondContact O-N 3.5Å; T31-S457 VanDerWaalsContact CB-O 3.25Å; T31-S457 WeakPolarHBondContact CB-O 3.27Å; T31-S457 PolarHBondContact OG1-O 3.11Å; D429-S457 PolarHBondContact OD1-OG 3.42Å; D429-S457 WeakPolarHBondContact OD2-CB 3.24Å; D429-S457 PolarHBondContact OD2-OG 3.49Å; S457-K459 PolarHBondContact OG-N 3.38Å; S457-M462 WeakPolarHBondContact OG-CB 3.38Å
458L87.5Confident89.5Confident79 Ų7925.5 Ų25.541%0.41413%0.127SC..SBendtrans-98.2-4.9171.3-64174.8000112.9G32 N34 K38G32-L458 WeakPolarHBondContact O-CD2 3.41Å; N34-L458 VanDerWaalsContact OD1-CD1 3.26Å; N34-L458 WeakPolarHBondContact OD1-CD1 3.44Å; K38-L458 HydrophobicContact CD-CD2 4.12Å
459K88.5Confident89.9Confident49 Ų4925.3 Ų25.321%0.21313%0.126CC..  trans-100.2124.8-171.2-62.5-173177.5177.40110.6D429 A430 L432 T437 S457 G461 M462 F463D429-K459 HydrophobicContact CB-CD 4.43Å; D429-K459 WeakPolarHBondContact O-CD 3.48Å; D429-K459 WeakPolarHBondContact O-CE 3.4Å; D429-K459 PolarHBondContact O-NZ 2.96Å; A430-K459 VanDerWaalsContact C-NZ 3.27Å; A430-K459 PolarHBondContact O-NZ 2.94Å; L432-K459 PolarHBondContact O-NZ 2.93Å; T437-K459 HydrophobicContact CG2-CB 3.93Å; T437-K459 HydrophobicContact CG2-CD 3.49Å; T437-K459 VanDerWaalsContact CG2-CD 3.49Å; T437-K459 HydrophobicContact CG2-CG 4.3Å; S457-K459 PolarHBondContact OG-N 3.38Å; K459-G461 VanDerWaalsContact C-N 3.25Å; K459-G461 PolarHBondContact O-N 2.93Å; K459-M462 WeakPolarHBondContact O-CB 3.43Å; K459-M462 PolarHBondContact O-N 3.35Å; K459-F463 VanDerWaalsContact C-CD1 3.45Å; K459-F463 VanDerWaalsContact C-CE1 3.41Å; K459-F463 WeakPolarHBondContact O-CD1 3.47Å; K459-F463 PolarHBondContact O-N 3.45Å
460E87Confident90.8Very high136 Ų13624.4 Ų24.464%0.63612%0.12SC*.Hα-helixtrans-59.2-36.6-177.6-173.8170.4-169.200112.7M462 F463 S464E460-M462 PolarHBondContact O-N 2.93Å; E460-F463 HydrophobicContact CB-CE1 4.09Å; E460-F463 HydrophobicContact CB-CE2 4.14Å; E460-F463 HydrophobicContact CB-CZ 3.66Å; E460-F463 HydrophobicContact CG-CE2 3.9Å; E460-F463 HydrophobicContact CG-CZ 3.91Å; E460-F463 PolarHBondContact O-N 3Å; E460-S464 WeakPolarHBondContact O-CB 3.3Å; E460-S464 PolarHBondContact O-N 2.98Å; E460-S464 PolarHBondContact O-OG 3.14Å
461G86.1Confident91.5Very high5 Ų523.3 Ų23.35%0.05211%0.11CC..Hα-helixtrans-57.5-32.5174.700000113.2T437 E438 K459 N465T437-G461 WeakPolarHBondContact OG1-CA 3.32Å; E438-G461 WeakPolarHBondContact CA-O 3.36Å; K459-G461 VanDerWaalsContact C-N 3.25Å; K459-G461 PolarHBondContact O-N 2.93Å; G461-N465 PolarHBondContact O-ND2 3.12Å
462M88.6Confident91.8Very high0 Ų023 Ų230%011%0.107CC..Hα-helixtrans-79.4-56.7176.1-173.966.367.300111.5F27 D429 I440 I444 V455 S457 K459 E460 S464 N465F27-M462 HydrophobicContact CZ-SD 4.2Å; D429-M462 HydrophobicContact CB-CE 3.83Å; D429-M462 WeakPolarHBondContact OD2-CB 3.17Å; I440-M462 HydrophobicContact CB-CE 3.96Å; I440-M462 HydrophobicContact CG2-CE 3.66Å; I440-M462 HydrophobicContact CG2-SD 4.26Å; I444-M462 HydrophobicContact CD1-SD 4.35Å; V455-M462 HydrophobicContact CG1-CG 4.01Å; V455-M462 HydrophobicContact CG1-SD 4.37Å; S457-M462 WeakPolarHBondContact OG-CB 3.38Å; K459-M462 WeakPolarHBondContact O-CB 3.43Å; K459-M462 PolarHBondContact O-N 3.35Å; E460-M462 PolarHBondContact O-N 2.93Å; M462-S464 PolarHBondContact O-N 3.31Å; M462-N465 WeakPolarHBondContact O-CB 2.97Å; M462-N465 PolarHBondContact O-N 3.4Å
463F88.7Confident91.9Very high35 Ų3529.3 Ų29.315%0.15413%0.131CC..Hα-helixtrans-77.8-20.6-169.567.1-113.7000113.8A29 K459 E460 N465 A466 L469A29-F463 HydrophobicContact CB-CB 3.5Å; A29-F463 VanDerWaalsContact CB-CB 3.5Å; K459-F463 VanDerWaalsContact C-CD1 3.45Å; K459-F463 VanDerWaalsContact C-CE1 3.41Å; K459-F463 WeakPolarHBondContact O-CD1 3.47Å; K459-F463 PolarHBondContact O-N 3.45Å; E460-F463 HydrophobicContact CB-CE1 4.09Å; E460-F463 HydrophobicContact CB-CE2 4.14Å; E460-F463 HydrophobicContact CB-CZ 3.66Å; E460-F463 HydrophobicContact CG-CE2 3.9Å; E460-F463 HydrophobicContact CG-CZ 3.91Å; E460-F463 PolarHBondContact O-N 3Å; F463-N465 PolarHBondContact O-N 3.19Å; F463-A466 WeakPolarHBondContact O-CB 3.34Å; F463-A466 PolarHBondContact O-N 2.96Å; F463-L469 HydrophobicContact CB-CD1 3.81Å; F463-L469 HydrophobicContact CD2-CD1 4.05Å; F463-L469 HydrophobicContact CD2-CD2 4.14Å; F463-L469 HydrophobicContact CE2-CD2 4.48Å; F463-L469 HydrophobicContact CG-CD1 4.08Å
464S87.8Confident91.8Very high11 Ų1133.8 Ų33.88%0.07716%0.155CC..THydrogen-bonded Turntrans-63.4-21.3171.5630000112.4E460 M462 K488E460-S464 WeakPolarHBondContact O-CB 3.3Å; E460-S464 PolarHBondContact O-N 2.98Å; E460-S464 PolarHBondContact O-OG 3.14Å; M462-S464 PolarHBondContact O-N 3.31Å; S464-K488 WeakPolarHBondContact O-CB 3.48Å
465N86.8Confident91.5Very high3 Ų337.8 Ų37.82%0.01617%0.173CC..THydrogen-bonded Turntrans-86.4-9.9178.8-76.9-51000114.1F27 E438 R445 G461 M462 F463F27-N465 HydrophobicContact CD1-CB 4.5Å; F27-N465 VanDerWaalsContact CD1-O 3.27Å; F27-N465 WeakPolarHBondContact CD1-O 3.46Å; F27-N465 HydrophobicContact CE1-CB 3.79Å; E438-N465 PolarHBondContact O-ND2 3.2Å; R445-N465 VanDerWaalsContact NH1-C 3.33Å; R445-N465 PolarHBondContact NH1-O 3.04Å; R445-N465 PolarHBondContact NH1-OD1 3.48Å; R445-N465 PolarHBondContact NH2-OD1 3.3Å; G461-N465 PolarHBondContact O-ND2 3.12Å; M462-N465 WeakPolarHBondContact O-CB 2.97Å; M462-N465 PolarHBondContact O-N 3.4Å; F463-N465 PolarHBondContact O-N 3.19Å
466A91.2Very high91Very high1 Ų145.9 Ų45.91%0.00822%0.217CC..  trans-76.2151.1178.600000112.4F27 A29 F463 G486F27-A466 HydrophobicContact CD1-CB 4.29Å; F27-A466 HydrophobicContact CD2-CB 4.05Å; F27-A466 HydrophobicContact CE1-CB 4.38Å; F27-A466 HydrophobicContact CE2-CB 4.1Å; F27-A466 HydrophobicContact CG-CB 4.12Å; F27-A466 HydrophobicContact CZ-CB 4.27Å; A29-A466 HydrophobicContact CB-CB 3.45Å; A29-A466 VanDerWaalsContact CB-CB 3.45Å; F463-A466 WeakPolarHBondContact O-CB 3.34Å; F463-A466 PolarHBondContact O-N 2.96Å; A466-G486 WeakPolarHBondContact O-CA 3.43Å
467N91.7Very high90.5Very high23 Ų2348.2 Ų48.212%0.12324%0.241CC..SBendtrans-73.1-39174.2-60.183.9000111.6D24 F27 G486 Y489D24-N467 HydrophobicContact CB-CB 4.04Å; F27-N467 WeakPolarHBondContact CB-OD1 3.34Å; F27-N467 PolarHBondContact N-OD1 3.41Å; F27-N467 WeakPolarHBondContact O-CB 3.37Å; F27-N467 PolarHBondContact O-N 2.93Å; F27-N467 PolarHBondContact O-OD1 3.23Å; N467-G486 PolarHBondContact O-N 3.43Å; N467-Y489 VanDerWaalsContact CA-CD2 3.49Å; N467-Y489 HydrophobicContact CB-CD2 3.43Å; N467-Y489 VanDerWaalsContact CB-CD2 3.43Å; N467-Y489 HydrophobicContact CB-CE2 3.55Å; N467-Y489 WeakPolarHBondContact ND2-CD2 3.44Å; N467-Y489 WeakPolarHBondContact ND2-CE2 3.21Å
468V93.6Very high90.3Very high1 Ų150.1 Ų50.11%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-129.1136.6178.3178.80000109.4D24 F27 N28 A29 Y470 R483D24-V468 HydrophobicContact CB-CB 4.43Å; D24-V468 HydrophobicContact CB-CG2 3.8Å; F27-V468 PolarHBondContact O-N 3.1Å; N28-V468 WeakPolarHBondContact CA-O 3.36Å; A29-V468 PolarHBondContact N-O 2.93Å; V468-Y470 HydrophobicContact CB-CE2 4.24Å; V468-Y470 HydrophobicContact CG1-CD2 4.06Å; V468-Y470 HydrophobicContact CG1-CE1 4.26Å; V468-Y470 HydrophobicContact CG1-CE2 3.47Å; V468-Y470 VanDerWaalsContact CG1-CE2 3.47Å; V468-R483 HydrophobicContact CG1-CG 3.67Å; V468-R483 VanDerWaalsContact CG2-NH2 3.29Å
469L94.9Very high90.7Very high8 Ų846.4 Ų46.44%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-115.2118.3177.8-177.465.6000110.4A29 T31 F463 R471 T484A29-L469 HydrophobicContact CB-CD1 3.86Å; A29-L469 WeakPolarHBondContact O-CA 3.49Å; T31-L469 HydrophobicContact CG2-CD1 3.63Å; T31-L469 HydrophobicContact CG2-CD2 4.26Å; T31-L469 HydrophobicContact CG2-CG 4.16Å; F463-L469 HydrophobicContact CB-CD1 3.81Å; F463-L469 HydrophobicContact CD2-CD1 4.05Å; F463-L469 HydrophobicContact CD2-CD2 4.14Å; F463-L469 HydrophobicContact CE2-CD2 4.48Å; F463-L469 HydrophobicContact CG-CD1 4.08Å; L469-R471 HydrophobicContact CD2-CG 4.23Å; L469-R471 HydrophobicContact CG-CG 4.22Å; L469-T484 PolarHBondContact N-O 3.27Å; L469-T484 PolarHBondContact O-N 3.03Å; L469-T484 PolarHBondContact O-OG1 3.16Å
470Y96.4Very high90.9Very high5 Ų547.1 Ų47.12%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-98.9114.5172.5-64.8-80.6000109.7I20 Q21 D22 I23 N28 A29 I30 T31 V468 V481 T482 R483I20-Y470 HydrophobicContact CG2-CD1 3.69Å; I20-Y470 HydrophobicContact CG2-CE1 3.35Å; I20-Y470 HydrophobicContact CG2-CE2 4.36Å; I20-Y470 HydrophobicContact CG2-CG 4.32Å; Q21-Y470 PolarHBondContact O-OH 3.36Å; D22-Y470 VanDerWaalsContact C-OH 3.29Å; D22-Y470 PolarHBondContact O-OH 2.98Å; I23-Y470 WeakPolarHBondContact CA-OH 3.41Å; I23-Y470 HydrophobicContact CG1-CE2 4.43Å; I23-Y470 WeakPolarHBondContact CG1-OH 3.31Å; I23-Y470 PolarHBondContact N-OH 3.24Å; N28-Y470 HydrophobicContact CB-CE2 4.31Å; A29-Y470 PolarHBondContact O-N 2.7Å; I30-Y470 CarbonylContact C-O 3.56Å; I30-Y470 VanDerWaalsContact CA-O 3.32Å; I30-Y470 WeakPolarHBondContact CA-O 3.31Å; T31-Y470 PolarHBondContact N-O 3.41Å; V468-Y470 HydrophobicContact CB-CE2 4.24Å; V468-Y470 HydrophobicContact CG1-CD2 4.06Å; V468-Y470 HydrophobicContact CG1-CE1 4.26Å; V468-Y470 HydrophobicContact CG1-CE2 3.47Å; V468-Y470 VanDerWaalsContact CG1-CE2 3.47Å; Y470-V481 HydrophobicContact CD1-CG1 3.91Å; Y470-V481 HydrophobicContact CG-CG1 4.33Å; Y470-T482 CarbonylContact C-O 3.56Å; Y470-T482 WeakPolarHBondContact CA-O 3.36Å; Y470-R483 HydrophobicContact CD1-CB 4.04Å; Y470-R483 HydrophobicContact CD1-CG 4.15Å; Y470-R483 HydrophobicContact CE1-CB 3.87Å; Y470-R483 HydrophobicContact CE1-CG 3.67Å
471R95.7Very high91.3Very high111 Ų11142.2 Ų42.242%0.41922%0.216SC..EExtended strand (participates in β ladder)trans-98.9119.5176.7-68.4-179.8-1691652.3110.5T31 L469 T482T31-R471 HydrophobicContact CG2-CG 3.77Å; T31-R471 CarbonylContact O-C 3.53Å; T31-R471 VanDerWaalsContact O-CA 3.27Å; T31-R471 WeakPolarHBondContact O-CA 3.32Å; L469-R471 HydrophobicContact CD2-CG 4.23Å; L469-R471 HydrophobicContact CG-CG 4.22Å; R471-T482 WeakPolarHBondContact CB-OG1 3.33Å; R471-T482 PolarHBondContact N-O 3.45Å; R471-T482 PolarHBondContact O-N 3.05Å; R471-T482 PolarHBondContact O-OG1 3.41Å; R471-T482 VanDerWaalsContact O-OG1 3.08Å
472T96.2Very high91.8Very high3 Ų345 Ų452%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-91.6141.5175.661.30000111.4I30 T31 S36 K38 I41 N480 V481I30-T472 HydrophobicContact CG2-CG2 4Å; T31-T472 PolarHBondContact O-N 3.23Å; T31-T472 PolarHBondContact O-OG1 3.29Å; S36-T472 PolarHBondContact OG-OG1 3.46Å; K38-T472 HydrophobicContact CG-CG2 4.33Å; K38-T472 WeakPolarHBondContact CG-OG1 3.48Å; I41-T472 HydrophobicContact CD1-CG2 3.65Å; T472-N480 CarbonylContact C-O 3.56Å; T472-N480 VanDerWaalsContact CA-O 3.28Å; T472-N480 WeakPolarHBondContact CA-O 3.47Å; T472-V481 HydrophobicContact CG2-CG2 4.21Å
473R94.9Very high92.1Very high137 Ų13749.9 Ų49.952%0.51725%0.25SC..EExtended strand (participates in β ladder)trans-136.5146.2175.6-63.8-177.2-179.4-168.3-1.5109.4S479 N480R473-S479 CarbonylContact O-C 3.56Å; R473-S479 WeakPolarHBondContact O-CA 3.49Å; R473-N480 PolarHBondContact N-O 2.97Å; R473-N480 PolarHBondContact O-N 3.49Å
474L92.9Very high92.3Very high96 Ų9650.4 Ų50.450%0.50326%0.256SS..EExtended strand (participates in β ladder)trans-100.2115.7171.9-172.171.9000108.2Q478L474-Q478 WeakPolarHBondContact CA-O 3.5Å
475E89.7Confident92.3Very high91 Ų9155.3 Ų55.343%0.42528%0.281SS..EExtended strand (participates in β ladder)trans-130.4127.4180-69.4172.6173.600108.4G477 Q478 N480E475-G477 PolarHBondContact O-N 2.89Å; E475-Q478 PolarHBondContact N-O 3.44Å; E475-Q478 PolarHBondContact O-N 3.49Å; E475-Q478 VanDerWaalsContact O-O 3.08Å; E475-N480 PolarHBondContact OE2-ND2 2.9Å
476N85.8Confident92.2Very high170 Ų17055.6 Ų55.691%0.90929%0.285SS*.THydrogen-bonded Turntrans5239.1-179.5-56-34.1000113.7Q478N476-Q478 VanDerWaalsContact C-N 3.26Å; N476-Q478 PolarHBondContact O-N 3.28Å
477G83.9Confident91.6Very high49 Ų4960.5 Ų60.551%0.50532%0.319SS..THydrogen-bonded Turntrans76.24.5-179.800000115.3E475E475-G477 PolarHBondContact O-N 2.89Å
478Q89Confident90.5Very high39 Ų3963.8 Ų63.818%0.18233%0.332CS..EExtended strand (participates in β ladder)trans-122.5143.1-179.5-65-177.5-14.800111.6K16 L474 E475 N476K16-Q478 VanDerWaalsContact CG-OE1 3.25Å; L474-Q478 WeakPolarHBondContact CA-O 3.5Å; E475-Q478 PolarHBondContact N-O 3.44Å; E475-Q478 PolarHBondContact O-N 3.49Å; E475-Q478 VanDerWaalsContact O-O 3.08Å; N476-Q478 VanDerWaalsContact C-N 3.26Å; N476-Q478 PolarHBondContact O-N 3.28Å
479S94.7Very high89Confident2 Ų267.8 Ų67.81%0.01435%0.348CS..EExtended strand (participates in β ladder)trans-80.6129.5176.1-70.40000111S13 Y14 S36 G37 R473S13-S479 VanDerWaalsContact CB-OG 3.26Å; S13-S479 WeakPolarHBondContact CB-OG 3.25Å; S13-S479 PolarHBondContact O-N 2.94Å; S13-S479 WeakPolarHBondContact OG-CB 3.38Å; S13-S479 PolarHBondContact OG-OG 3.3Å; Y14-S479 VanDerWaalsContact CD1-O 3.23Å; Y14-S479 WeakPolarHBondContact CD1-O 3.49Å; Y14-S479 WeakPolarHBondContact CE1-O 3.35Å; S36-S479 WeakPolarHBondContact O-CB 3.06Å; S36-S479 PolarHBondContact O-OG 2.52Å; G37-S479 WeakPolarHBondContact CA-OG 3.28Å; R473-S479 CarbonylContact O-C 3.56Å; R473-S479 WeakPolarHBondContact O-CA 3.49Å
480N93.9Very high87.4Confident63 Ų6377.5 Ų77.534%0.33738%0.384SS..EExtended strand (participates in β ladder)trans-113.4151.6170.5-70.8-41.2000109.9T472 R473 E475T472-N480 CarbonylContact C-O 3.56Å; T472-N480 VanDerWaalsContact CA-O 3.28Å; T472-N480 WeakPolarHBondContact CA-O 3.47Å; R473-N480 PolarHBondContact N-O 2.97Å; R473-N480 PolarHBondContact O-N 3.49Å; E475-N480 PolarHBondContact OE2-ND2 2.9Å
481V96Very high85.8Confident34 Ų3481.6 Ų81.621%0.20641%0.411CS..EExtended strand (participates in β ladder)trans-123129.8178.5-168.30000109.4Y14 T18 I20 I41 Y470 T472Y14-V481 HydrophobicContact CE1-CG2 3.63Å; T18-V481 HydrophobicContact CG2-CG2 4.11Å; I20-V481 HydrophobicContact CD1-CG2 4.22Å; I20-V481 HydrophobicContact CG1-CG1 4.46Å; I20-V481 HydrophobicContact CG1-CG2 4.3Å; I41-V481 HydrophobicContact CD1-CG2 4.09Å; Y470-V481 HydrophobicContact CD1-CG1 3.91Å; Y470-V481 HydrophobicContact CG-CG1 4.33Å; T472-V481 HydrophobicContact CG2-CG2 4.21Å
482T95.3Very high84.2Confident62 Ų6279.9 Ų79.938%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-115.3130.4174.451.40000109.4Y470 R471Y470-T482 CarbonylContact C-O 3.56Å; Y470-T482 WeakPolarHBondContact CA-O 3.36Å; R471-T482 WeakPolarHBondContact CB-OG1 3.33Å; R471-T482 PolarHBondContact N-O 3.45Å; R471-T482 PolarHBondContact O-N 3.05Å; R471-T482 PolarHBondContact O-OG1 3.41Å; R471-T482 VanDerWaalsContact O-OG1 3.08Å
483R94.4Very high82.7Confident103 Ų10382.8 Ų82.839%0.38943%0.429SS..EExtended strand (participates in β ladder)trans-94.2135.1179.2-175-178.7179.2-825.2110D22 V468 Y470D22-R483 PolarHBondContact O-NE 3Å; D22-R483 VanDerWaalsContact O-NE 3.11Å; D22-R483 PolarHBondContact O-NH2 3.37Å; V468-R483 HydrophobicContact CG1-CG 3.67Å; V468-R483 VanDerWaalsContact CG2-NH2 3.29Å; Y470-R483 HydrophobicContact CD1-CB 4.04Å; Y470-R483 HydrophobicContact CD1-CG 4.15Å; Y470-R483 HydrophobicContact CE1-CB 3.87Å; Y470-R483 HydrophobicContact CE1-CG 3.67Å
484T92.8Very high81.2Confident47 Ų4786.9 Ų86.929%0.28845%0.445SS..EExtended strand (participates in β ladder)trans-136.9149.3173.248.80000109.4L469L469-T484 PolarHBondContact N-O 3.27Å; L469-T484 PolarHBondContact O-N 3.03Å; L469-T484 PolarHBondContact O-OG1 3.16Å
485L89.5Confident80.2Confident113 Ų11388.5 Ų88.559%0.59245%0.454SS*.EExtended strand (participates in β ladder)trans-71.1145.9171.3-66.9174.5000109.8
486G84Confident79.1Confident9 Ų985.9 Ų85.99%0.09345%0.448CS..  trans-64143.1176.700000112.2A466 N467 K488 Y489A466-G486 WeakPolarHBondContact O-CA 3.43Å; N467-G486 PolarHBondContact O-N 3.43Å; G486-K488 VanDerWaalsContact C-N 3.35Å; G486-K488 PolarHBondContact O-N 3.37Å; G486-Y489 VanDerWaalsContact O-CB 3.23Å; G486-Y489 WeakPolarHBondContact O-CB 3.06Å; G486-Y489 PolarHBondContact O-N 3.43Å; G486-Y489 VanDerWaalsContact O-N 3.1Å
487S77.9Confident78.2Confident104 Ų10480.9 Ų80.973%0.72742%0.42SS*.THydrogen-bonded Turntrans-64.4-37.9-177.154.10000113
488K69.4Low77.6Confident92 Ų9280.8 Ų80.840%0.442%0.415SS..THydrogen-bonded Turntrans-93.812.6174.8-61.1-175.7178.8179.10112.9E438 S464 G486 R490E438-K488 IonicContact OE1-NZ 2.62Å; E438-K488 PolarHBondContact OE1-NZ 2.97Å; S464-K488 WeakPolarHBondContact O-CB 3.48Å; G486-K488 VanDerWaalsContact C-N 3.35Å; G486-K488 PolarHBondContact O-N 3.37Å; K488-R490 PolarHBondContact O-N 3.25Å
489Y62.3Low76.9Confident85 Ų8581 Ų8133%0.33342%0.424SS..  trans-60.4105.1179.5-179.9-108.5000109.8N467 G486 P491N467-Y489 VanDerWaalsContact CA-CD2 3.49Å; N467-Y489 HydrophobicContact CB-CD2 3.43Å; N467-Y489 VanDerWaalsContact CB-CD2 3.43Å; N467-Y489 HydrophobicContact CB-CE2 3.55Å; N467-Y489 WeakPolarHBondContact ND2-CD2 3.44Å; N467-Y489 WeakPolarHBondContact ND2-CE2 3.21Å; G486-Y489 VanDerWaalsContact O-CB 3.23Å; G486-Y489 WeakPolarHBondContact O-CB 3.06Å; G486-Y489 PolarHBondContact O-N 3.43Å; G486-Y489 VanDerWaalsContact O-N 3.1Å; Y489-P491 HydrophobicContact CE1-CB 4.15Å; Y489-P491 HydrophobicContact CE1-CG 4.16Å
490R61.7Low75.6Confident212 Ų21282.7 Ų82.780%0.843%0.432SS*.  trans-108.5112.7162.2-72-176.2179.4-176.70.4105.7K488 M492K488-R490 PolarHBondContact O-N 3.25Å; R490-M492 PolarHBondContact O-N 2.93Å
491P61Low74.3Confident91 Ų9187.6 Ų87.659%0.59145%0.445SS*.PPolyproline II helixtrans-55.5117.2166.722.1-28.2000106.5Y489 S493Y489-P491 HydrophobicContact CE1-CB 4.15Å; Y489-P491 HydrophobicContact CE1-CG 4.16Å; P491-S493 PolarHBondContact O-N 3.35Å
492M62.1Low73.4Confident75 Ų7593.8 Ų93.837%0.36947%0.47SS..PPolyproline II helixtrans-60.6126.9177.6-71.8-163.6-77.400107.3R490 A496 I497 I500R490-M492 PolarHBondContact O-N 2.93Å; M492-A496 HydrophobicContact CB-CB 4.38Å; M492-I497 HydrophobicContact CB-CD1 4.11Å; M492-I497 HydrophobicContact CB-CG1 3.64Å; M492-I497 HydrophobicContact CE-CG1 4.29Å; M492-I500 HydrophobicContact SD-CD1 3.55Å; M492-I500 VanDerWaalsContact SD-CD1 3.55Å
493S64.6Low72.3Confident65 Ų65100.1 Ų100.146%0.45549%0.487SS..PPolyproline II helixtrans-59.4152.9173.166.70000109.2P491 D495 A496 I497P491-S493 PolarHBondContact O-N 3.35Å; S493-D495 PolarHBondContact O-N 3.39Å; S493-D495 VanDerWaalsContact O-N 3.12Å; S493-A496 PolarHBondContact O-N 3.37Å; S493-A496 WeakPolarHBondContact OG-CB 3.43Å; S493-A496 PolarHBondContact OG-N 2.88Å; S493-A496 VanDerWaalsContact OG-N 3.08Å; S493-I497 WeakPolarHBondContact O-CG1 3.38Å; S493-I497 PolarHBondContact O-N 3.03Å
494R64.9Low71.3Confident223 Ų22396.9 Ų96.984%0.84248%0.476SS*.Hα-helixtrans-52.7-34.7174-72.6-176.7173.9-179.4-1.7111.4I497 A498R494-I497 PolarHBondContact O-N 3.48Å; R494-A498 VanDerWaalsContact O-CB 3.29Å; R494-A498 WeakPolarHBondContact O-CB 3.35Å; R494-A498 PolarHBondContact O-N 3.36Å
495D71Confident70.7Confident130 Ų13098.9 Ų98.970%0.69548%0.482SS*.Hα-helixtrans-69.2-40.3176.7-58.9-34000112.9S493 A498 A499S493-D495 PolarHBondContact O-N 3.39Å; S493-D495 VanDerWaalsContact O-N 3.12Å; D495-A498 PolarHBondContact O-N 3.19Å; D495-A499 VanDerWaalsContact O-CB 3.29Å; D495-A499 WeakPolarHBondContact O-CB 3.41Å; D495-A499 PolarHBondContact O-N 3.02Å
496A67.5Low70.3Confident36 Ų36101.6 Ų101.630%0.29849%0.489SS..Hα-helixtrans-64.2-43.8174.900000110.9M492 S493 A498 A499 I500M492-A496 HydrophobicContact CB-CB 4.38Å; S493-A496 PolarHBondContact O-N 3.37Å; S493-A496 WeakPolarHBondContact OG-CB 3.43Å; S493-A496 PolarHBondContact OG-N 2.88Å; S493-A496 VanDerWaalsContact OG-N 3.08Å; A496-A498 VanDerWaalsContact C-N 3.34Å; A496-A498 PolarHBondContact O-N 3.36Å; A496-A499 PolarHBondContact O-N 2.97Å; A496-I500 WeakPolarHBondContact O-CB 3.25Å; A496-I500 VanDerWaalsContact O-CG1 3.26Å; A496-I500 WeakPolarHBondContact O-CG1 3.23Å; A496-I500 PolarHBondContact O-N 3.42Å
497I65.5Low70.1Confident65 Ų65104.8 Ų104.833%0.33350%0.501SS..Hα-helixtrans-60.6-45.1174.2-61.6171.5000110.1M492 S493 R494 A499 I500 R501M492-I497 HydrophobicContact CB-CD1 4.11Å; M492-I497 HydrophobicContact CB-CG1 3.64Å; M492-I497 HydrophobicContact CE-CG1 4.29Å; S493-I497 WeakPolarHBondContact O-CG1 3.38Å; S493-I497 PolarHBondContact O-N 3.03Å; R494-I497 PolarHBondContact O-N 3.48Å; I497-A499 PolarHBondContact O-N 3.28Å; I497-I500 PolarHBondContact O-N 2.92Å; I497-R501 WeakPolarHBondContact O-CB 3.23Å; I497-R501 PolarHBondContact O-N 3.3Å
498A71.6Confident70.3Confident47 Ų47103.2 Ų103.239%0.38848%0.482SS..Hα-helixtrans-65.6-35.9178.200000112.8R494 D495 A496 R501 K502R494-A498 VanDerWaalsContact O-CB 3.29Å; R494-A498 WeakPolarHBondContact O-CB 3.35Å; R494-A498 PolarHBondContact O-N 3.36Å; D495-A498 PolarHBondContact O-N 3.19Å; A496-A498 VanDerWaalsContact C-N 3.34Å; A496-A498 PolarHBondContact O-N 3.36Å; A498-R501 WeakPolarHBondContact O-CB 3.4Å; A498-R501 PolarHBondContact O-N 3.4Å; A498-K502 PolarHBondContact O-N 3.2Å
499A74.3Confident71Confident44 Ų44103.8 Ų103.836%0.36449%0.487SS..Hα-helixtrans-70-45.1176.600000111.8D495 A496 I497 R501 K502 R503D495-A499 VanDerWaalsContact O-CB 3.29Å; D495-A499 WeakPolarHBondContact O-CB 3.41Å; D495-A499 PolarHBondContact O-N 3.02Å; A496-A499 PolarHBondContact O-N 2.97Å; I497-A499 PolarHBondContact O-N 3.28Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 2.98Å; A499-K502 PolarHBondContact O-N 2.9Å; A499-R503 WeakPolarHBondContact O-CG 3.4Å; A499-R503 PolarHBondContact O-N 3.06Å
500I67.5Low72.1Confident37 Ų37104.4 Ų104.419%0.1949%0.491CS..Hα-helixtrans-59.1-45.2171.9-68.6168.1000109.3P449 M492 A496 I497 K502 R503 H504P449-I500 HydrophobicContact CB-CG2 4.49Å; P449-I500 HydrophobicContact CG-CG2 4.44Å; M492-I500 HydrophobicContact SD-CD1 3.55Å; M492-I500 VanDerWaalsContact SD-CD1 3.55Å; A496-I500 WeakPolarHBondContact O-CB 3.25Å; A496-I500 VanDerWaalsContact O-CG1 3.26Å; A496-I500 WeakPolarHBondContact O-CG1 3.23Å; A496-I500 PolarHBondContact O-N 3.42Å; I497-I500 PolarHBondContact O-N 2.92Å; I500-K502 PolarHBondContact O-N 2.88Å; I500-R503 PolarHBondContact O-N 3.03Å; I500-R503 VanDerWaalsContact O-N 3.12Å; I500-H504 PolarHBondContact O-CD2 3.41Å; I500-H504 VanDerWaalsContact O-CD2 3.29Å; I500-H504 PolarHBondContact O-N 2.88Å
501R67.7Low73.3Confident165 Ų16595.1 Ų95.162%0.62346%0.456SS*.Hα-helixtrans-56.4-50175.5-172178.5-177.3177.82.5111.2I497 A498 A499 R503 H504 Q505I497-R501 WeakPolarHBondContact O-CB 3.23Å; I497-R501 PolarHBondContact O-N 3.3Å; A498-R501 WeakPolarHBondContact O-CB 3.4Å; A498-R501 PolarHBondContact O-N 3.4Å; A499-R501 VanDerWaalsContact C-N 3.29Å; A499-R501 PolarHBondContact O-N 2.98Å; R501-R503 VanDerWaalsContact C-N 3.3Å; R501-R503 PolarHBondContact O-N 3.36Å; R501-H504 PolarHBondContact O-N 2.98Å; R501-Q505 WeakPolarHBondContact O-CA 3.31Å; R501-Q505 WeakPolarHBondContact O-CB 3.4Å; R501-Q505 PolarHBondContact O-N 3.01Å
502K75.8Confident74.5Confident164 Ų16492.9 Ų92.971%0.71345%0.445SS*.Hα-helixtrans-61.6-34.7177.2-81.1-175.2177.1-179.10113.1A498 A499 I500A498-K502 PolarHBondContact O-N 3.2Å; A499-K502 PolarHBondContact O-N 2.9Å; I500-K502 PolarHBondContact O-N 2.88Å
503R72.8Confident75.8Confident196 Ų19692 Ų9274%0.7445%0.45SS*.Hα-helixtrans-69.2-47.5178-74.2176.5-175.8177.51.4112A499 I500 R501A499-R503 WeakPolarHBondContact O-CG 3.4Å; A499-R503 PolarHBondContact O-N 3.06Å; I500-R503 PolarHBondContact O-N 3.03Å; I500-R503 VanDerWaalsContact O-N 3.12Å; R501-R503 VanDerWaalsContact C-N 3.3Å; R501-R503 PolarHBondContact O-N 3.36Å
504H74.4Confident76.9Confident34 Ų3489.7 Ų89.716%0.15743%0.433CS..Hα-helixtrans-86.9-10.5-178.4-65.9-70000113.8E446 I500 R501 K506 E507 E508E446-H504 IonicContact OE1-CE1 3.32Å; I500-H504 PolarHBondContact O-CD2 3.41Å; I500-H504 VanDerWaalsContact O-CD2 3.29Å; I500-H504 PolarHBondContact O-N 2.88Å; R501-H504 PolarHBondContact O-N 2.98Å; H504-K506 VanDerWaalsContact C-N 3.32Å; H504-K506 PolarHBondContact O-N 3.28Å; H504-E507 IonicContact CE1-OE2 2.64Å; H504-E507 IonicContact CG-OE2 2.66Å; H504-E507 IonicContact ND1-OE2 2.65Å; H504-E507 PolarHBondContact ND1-OE2 3.22Å; H504-E507 PolarHBondContact O-N 3.31Å; H504-E508 WeakPolarHBondContact O-CB 3.35Å; H504-E508 PolarHBondContact O-N 3.36Å
505Q78.9Confident77.9Confident89 Ų8982.3 Ų82.342%0.41641%0.405SS..Hα-helixtrans-55.2-46.1-177.6174.1168.88.700111.9R501 E507 E508 E509R501-Q505 WeakPolarHBondContact O-CA 3.31Å; R501-Q505 WeakPolarHBondContact O-CB 3.4Å; R501-Q505 PolarHBondContact O-N 3.01Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; Q505-E508 PolarHBondContact O-N 2.85Å; Q505-E509 HydrophobicContact CG-CG 4.2Å; Q505-E509 WeakPolarHBondContact CG-OE1 3.47Å; Q505-E509 PolarHBondContact NE2-OE1 2.82Å; Q505-E509 VanDerWaalsContact O-CB 3.26Å; Q505-E509 WeakPolarHBondContact O-CB 3.43Å; Q505-E509 WeakPolarHBondContact O-CG 3.32Å; Q505-E509 PolarHBondContact O-N 3.47Å
506K80.8Confident78.8Confident171 Ų17179.3 Ų79.374%0.74339%0.394SS*.Hα-helixtrans-63.3-39178.1-71.1-172.8177.2-177.20112.6H504 F510H504-K506 VanDerWaalsContact C-N 3.32Å; H504-K506 PolarHBondContact O-N 3.28Å; K506-F510 WeakPolarHBondContact O-CB 3.45Å; K506-F510 PolarHBondContact O-N 3.17Å; K506-F510 VanDerWaalsContact O-N 3.08Å
507E80.4Confident79.8Confident75 Ų7583.2 Ų83.235%0.3540%0.404SS..Hα-helixtrans-68.1-42.5178.1-62.1-178.8151.400110.8H504 Q505 F510 R511H504-E507 IonicContact CE1-OE2 2.64Å; H504-E507 IonicContact CG-OE2 2.66Å; H504-E507 IonicContact ND1-OE2 2.65Å; H504-E507 PolarHBondContact ND1-OE2 3.22Å; H504-E507 PolarHBondContact O-N 3.31Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; E507-F510 WeakPolarHBondContact O-CB 3.26Å; E507-F510 PolarHBondContact O-N 3.02Å; E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.87Å
508E81.4Confident80.8Confident71 Ų7180.7 Ų80.733%0.33239%0.392SS..Hα-helixtrans-73.1-36.2-179.2-166.655-148.200112.2H504 Q505 F510 R511 A512 R515H504-E508 WeakPolarHBondContact O-CB 3.35Å; H504-E508 PolarHBondContact O-N 3.36Å; Q505-E508 PolarHBondContact O-N 2.85Å; E508-F510 VanDerWaalsContact C-N 3.3Å; E508-F510 PolarHBondContact O-N 3.38Å; E508-R511 PolarHBondContact O-N 2.95Å; E508-R511 IonicContact OE2-NH1 2.94Å; E508-R511 PolarHBondContact OE2-NH1 3.22Å; E508-A512 VanDerWaalsContact O-CB 3.23Å; E508-A512 WeakPolarHBondContact O-CB 3.36Å; E508-A512 PolarHBondContact O-N 2.84Å; E508-R515 IonicContact OE1-CZ 2.93Å; E508-R515 IonicContact OE1-NH1 3.79Å; E508-R515 PolarHBondContact OE1-NH1 3.32Å; E508-R515 IonicContact OE1-NH2 3.96Å; E508-R515 PolarHBondContact OE1-NH2 2.98Å
509E84.7Confident81.4Confident104 Ų10480.7 Ų80.749%0.48639%0.392SS..Hα-helixtrans-59.7-42.8169.4-78170.5-176.900110.7Q505 A512 A513Q505-E509 HydrophobicContact CG-CG 4.2Å; Q505-E509 WeakPolarHBondContact CG-OE1 3.47Å; Q505-E509 PolarHBondContact NE2-OE1 2.82Å; Q505-E509 VanDerWaalsContact O-CB 3.26Å; Q505-E509 WeakPolarHBondContact O-CB 3.43Å; Q505-E509 WeakPolarHBondContact O-CG 3.32Å; Q505-E509 PolarHBondContact O-N 3.47Å; E509-A512 PolarHBondContact O-N 3.38Å; E509-A513 WeakPolarHBondContact O-CB 3.47Å; E509-A513 PolarHBondContact O-N 3.2Å
510F86Confident82Confident99 Ų9983.2 Ų83.243%0.43440%0.399SS..Hα-helixtrans-63.8-46.9175-172.8-98.2000111.8Q349 K506 E507 E508 A512 A513 V514Q349-F510 VanDerWaalsContact OE1-CD1 3.3Å; K506-F510 WeakPolarHBondContact O-CB 3.45Å; K506-F510 PolarHBondContact O-N 3.17Å; K506-F510 VanDerWaalsContact O-N 3.08Å; E507-F510 WeakPolarHBondContact O-CB 3.26Å; E507-F510 PolarHBondContact O-N 3.02Å; E508-F510 VanDerWaalsContact C-N 3.3Å; E508-F510 PolarHBondContact O-N 3.38Å; F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 3.27Å; F510-A513 PolarHBondContact O-N 3.16Å; F510-V514 HydrophobicContact CD1-CG2 4.26Å; F510-V514 HydrophobicContact CE1-CG2 3.95Å; F510-V514 HydrophobicContact CZ-CG2 4.31Å; F510-V514 WeakPolarHBondContact O-CG2 3.41Å; F510-V514 PolarHBondContact O-N 3.41Å
511R85.4Confident82.6Confident17 Ų1782.7 Ų82.76%0.06440%0.397CS..Hα-helixtrans-60.9-41.4175.4-72.1-179.3-173.4139.84.5111.8D353 E507 E508 V514 R515D353-R511 IonicContact OD1-CZ 3.58Å; D353-R511 IonicContact OD1-NE 3.03Å; D353-R511 PolarHBondContact OD1-NE 2.96Å; D353-R511 IonicContact OD1-NH2 2.69Å; D353-R511 PolarHBondContact OD1-NH2 2.82Å; D353-R511 IonicContact OD2-CZ 3.06Å; D353-R511 IonicContact OD2-NE 2.67Å; D353-R511 PolarHBondContact OD2-NE 3.2Å; D353-R511 IonicContact OD2-NH2 3.4Å; E507-R511 WeakPolarHBondContact O-CG 3.33Å; E507-R511 PolarHBondContact O-N 2.87Å; E508-R511 PolarHBondContact O-N 2.95Å; E508-R511 IonicContact OE2-NH1 2.94Å; E508-R511 PolarHBondContact OE2-NH1 3.22Å; R511-V514 PolarHBondContact O-N 3.28Å; R511-R515 WeakPolarHBondContact O-CG 3.38Å; R511-R515 PolarHBondContact O-N 2.93Å
512A86.6Confident83.1Confident43 Ų4380.7 Ų80.736%0.35539%0.389SS..Hα-helixtrans-63.6-41.1176.500000111.7E508 E509 F510 R515 S516E508-A512 VanDerWaalsContact O-CB 3.23Å; E508-A512 WeakPolarHBondContact O-CB 3.36Å; E508-A512 PolarHBondContact O-N 2.84Å; E509-A512 PolarHBondContact O-N 3.38Å; F510-A512 VanDerWaalsContact C-N 3.33Å; F510-A512 PolarHBondContact O-N 3.27Å; A512-R515 PolarHBondContact O-N 3.09Å; A512-S516 WeakPolarHBondContact O-CB 3.4Å; A512-S516 PolarHBondContact O-N 2.83Å
513A89.2Confident83.3Confident58 Ų5876.2 Ų76.248%0.47938%0.376SS..Hα-helixtrans-63.2-43174.400000111.9E509 F510 S516 K517E509-A513 WeakPolarHBondContact O-CB 3.47Å; E509-A513 PolarHBondContact O-N 3.2Å; F510-A513 PolarHBondContact O-N 3.16Å; A513-S516 PolarHBondContact O-N 3.42Å; A513-K517 WeakPolarHBondContact O-CB 3.47Å; A513-K517 PolarHBondContact O-N 3.24Å
514V88.9Confident83.3Confident15 Ų1570.3 Ų70.39%0.09136%0.359CS..Hα-helixtrans-59.4-49.2173.8168.80000110.8I345 Q349 F417 F510 R511 S516 K517 L518I345-V514 HydrophobicContact CG2-CG1 3.73Å; Q349-V514 HydrophobicContact CB-CG1 4.37Å; F417-V514 HydrophobicContact CE2-CG1 4.3Å; F510-V514 HydrophobicContact CD1-CG2 4.26Å; F510-V514 HydrophobicContact CE1-CG2 3.95Å; F510-V514 HydrophobicContact CZ-CG2 4.31Å; F510-V514 WeakPolarHBondContact O-CG2 3.41Å; F510-V514 PolarHBondContact O-N 3.41Å; R511-V514 PolarHBondContact O-N 3.28Å; V514-S516 VanDerWaalsContact C-N 3.34Å; V514-S516 PolarHBondContact O-N 3.05Å; V514-K517 WeakPolarHBondContact O-CB 3.47Å; V514-K517 PolarHBondContact O-N 3.14Å; V514-L518 HydrophobicContact CG1-CD1 4.04Å; V514-L518 WeakPolarHBondContact O-CG 3.26Å; V514-L518 PolarHBondContact O-N 3.44Å
515R85.9Confident83.2Confident69 Ų6969 Ų6926%0.2635%0.353SS..Hα-helixtrans-61-41.3177.5-71.7-176.2-60.6-1111.7112.4E508 R511 A512 L518 A519E508-R515 IonicContact OE1-CZ 2.93Å; E508-R515 IonicContact OE1-NH1 3.79Å; E508-R515 PolarHBondContact OE1-NH1 3.32Å; E508-R515 IonicContact OE1-NH2 3.96Å; E508-R515 PolarHBondContact OE1-NH2 2.98Å; R511-R515 WeakPolarHBondContact O-CG 3.38Å; R511-R515 PolarHBondContact O-N 2.93Å; A512-R515 PolarHBondContact O-N 3.09Å; R515-L518 PolarHBondContact O-N 2.92Å; R515-A519 WeakPolarHBondContact O-CB 3.35Å; R515-A519 PolarHBondContact O-N 2.92Å
516S88.8Confident82.6Confident66 Ų6666.9 Ų66.946%0.46236%0.355SS..Hα-helixtrans-60.8-45.2175179.50000111.4A512 A513 V514 L518 A519 N520A512-S516 WeakPolarHBondContact O-CB 3.4Å; A512-S516 PolarHBondContact O-N 2.83Å; A513-S516 PolarHBondContact O-N 3.42Å; V514-S516 VanDerWaalsContact C-N 3.34Å; V514-S516 PolarHBondContact O-N 3.05Å; S516-L518 VanDerWaalsContact C-N 3.34Å; S516-L518 PolarHBondContact O-N 3.25Å; S516-A519 PolarHBondContact O-N 3.36Å; S516-N520 PolarHBondContact O-N 3.19Å
517K88.4Confident82Confident118 Ų11865.9 Ų65.951%0.51335%0.35SS..Hα-helixtrans-60.4-42.6175.4-170.4172.9-179.7-175.20111.8I345 A513 V514 N520 I521I345-K517 HydrophobicContact CD1-CD 3.86Å; I345-K517 HydrophobicContact CD1-CG 4.31Å; A513-K517 WeakPolarHBondContact O-CB 3.47Å; A513-K517 PolarHBondContact O-N 3.24Å; V514-K517 WeakPolarHBondContact O-CB 3.47Å; V514-K517 PolarHBondContact O-N 3.14Å; K517-N520 PolarHBondContact O-N 3.08Å; K517-I521 HydrophobicContact CG-CD1 4.42Å; K517-I521 WeakPolarHBondContact O-CG1 3.35Å; K517-I521 PolarHBondContact O-N 3.45Å
518L87.1Confident81.2Confident12 Ų1263.6 Ų63.66%0.06334%0.34CS..Hα-helixtrans-65.8-40.3175.9-66.9171.5000112.3A342 I345 A346 F417 V514 R515 S516 N520 I521 R522A342-L518 HydrophobicContact CB-CD2 3.74Å; A342-L518 VanDerWaalsContact O-CD2 3.25Å; A342-L518 WeakPolarHBondContact O-CD2 3.27Å; I345-L518 HydrophobicContact CB-CD2 4.3Å; I345-L518 HydrophobicContact CG2-CD2 4.2Å; I345-L518 HydrophobicContact CG2-CG 4.41Å; A346-L518 HydrophobicContact CB-CD1 4.47Å; F417-L518 HydrophobicContact CE1-CD1 4.37Å; F417-L518 HydrophobicContact CE2-CD1 4.06Å; F417-L518 HydrophobicContact CZ-CD1 3.42Å; F417-L518 VanDerWaalsContact CZ-CD1 3.42Å; V514-L518 HydrophobicContact CG1-CD1 4.04Å; V514-L518 WeakPolarHBondContact O-CG 3.26Å; V514-L518 PolarHBondContact O-N 3.44Å; R515-L518 PolarHBondContact O-N 2.92Å; S516-L518 VanDerWaalsContact C-N 3.34Å; S516-L518 PolarHBondContact O-N 3.25Å; L518-N520 VanDerWaalsContact C-N 3.32Å; L518-N520 PolarHBondContact O-N 3.42Å; L518-I521 PolarHBondContact O-N 3.18Å; L518-R522 VanDerWaalsContact O-CB 3.31Å; L518-R522 WeakPolarHBondContact O-CB 3.35Å; L518-R522 PolarHBondContact O-N 2.99Å
519A85.1Confident79.8Confident47 Ų4763.5 Ų63.539%0.38834%0.34SS..Hα-helixtrans-64.4-36.417500000112.3R515 S516 R522 T523R515-A519 WeakPolarHBondContact O-CB 3.35Å; R515-A519 PolarHBondContact O-N 2.92Å; S516-A519 PolarHBondContact O-N 3.36Å; A519-R522 WeakPolarHBondContact O-CB 3.49Å; A519-R522 PolarHBondContact O-N 3.37Å; A519-T523 WeakPolarHBondContact O-CB 3.44Å; A519-T523 PolarHBondContact O-N 2.86Å; A519-T523 PolarHBondContact O-OG1 3.42Å
520N85.4Confident78.1Confident98 Ų9859.2 Ų59.252%0.52432%0.32SS..Hα-helixtrans-65.5-48.5173-72.1-20.1000111.1S516 K517 L518 R522 T523 D524S516-N520 PolarHBondContact O-N 3.19Å; K517-N520 PolarHBondContact O-N 3.08Å; L518-N520 VanDerWaalsContact C-N 3.32Å; L518-N520 PolarHBondContact O-N 3.42Å; N520-R522 PolarHBondContact O-N 3.04Å; N520-T523 PolarHBondContact O-N 3.08Å; N520-T523 VanDerWaalsContact O-N 3.15Å; N520-D524 VanDerWaalsContact O-CB 3.24Å; N520-D524 WeakPolarHBondContact O-CB 3.49Å; N520-D524 PolarHBondContact O-N 3.4Å
521I81.5Confident75.9Confident26 Ų2659.8 Ų59.813%0.13333%0.328CS..Hα-helixtrans-56.4-41.7174.3-66.3165.2000110.5K338 A342 I345 K517 L518 D524 I525K338-I521 HydrophobicContact CB-CG2 4.06Å; K338-I521 WeakPolarHBondContact O-CG2 3.46Å; A342-I521 HydrophobicContact CB-CD1 4.34Å; A342-I521 HydrophobicContact CB-CG2 4.09Å; I345-I521 HydrophobicContact CD1-CD1 3.96Å; K517-I521 HydrophobicContact CG-CD1 4.42Å; K517-I521 WeakPolarHBondContact O-CG1 3.35Å; K517-I521 PolarHBondContact O-N 3.45Å; L518-I521 PolarHBondContact O-N 3.18Å; I521-D524 WeakPolarHBondContact O-CB 3.41Å; I521-D524 PolarHBondContact O-N 2.91Å; I521-I525 HydrophobicContact CG2-CD1 3.87Å; I521-I525 HydrophobicContact CG2-CG1 4.42Å; I521-I525 VanDerWaalsContact O-CG1 3.23Å; I521-I525 WeakPolarHBondContact O-CG1 3.42Å; I521-I525 PolarHBondContact O-N 3.04Å
522R77.8Confident73.8Confident122 Ų12263.2 Ų63.246%0.4635%0.354SS..Hα-helixtrans-59.9-49.2177-170.2-168.3175.3169.2-2.7111.7Y169 L518 A519 N520 D524 I525 G526Y169-R522 HydrophobicContact CE2-CG 4.26Å; Y169-R522 VanDerWaalsContact OH-C 3.24Å; Y169-R522 WeakPolarHBondContact OH-CA 3.46Å; Y169-R522 WeakPolarHBondContact OH-CB 3.45Å; Y169-R522 WeakPolarHBondContact OH-CG 3.47Å; Y169-R522 PolarHBondContact OH-O 2.98Å; L518-R522 VanDerWaalsContact O-CB 3.31Å; L518-R522 WeakPolarHBondContact O-CB 3.35Å; L518-R522 PolarHBondContact O-N 2.99Å; A519-R522 WeakPolarHBondContact O-CB 3.49Å; A519-R522 PolarHBondContact O-N 3.37Å; N520-R522 PolarHBondContact O-N 3.04Å; R522-D524 VanDerWaalsContact C-N 3.33Å; R522-D524 PolarHBondContact O-N 3.29Å; R522-I525 PolarHBondContact O-N 2.86Å; R522-G526 PolarHBondContact O-N 3.38Å
523T79Confident71.5Confident71 Ų7163.2 Ų63.244%0.43635%0.352SS..Hα-helixtrans-63-43.8179.3-58.40000110.9A519 N520 I525 G526 K527A519-T523 WeakPolarHBondContact O-CB 3.44Å; A519-T523 PolarHBondContact O-N 2.86Å; A519-T523 PolarHBondContact O-OG1 3.42Å; N520-T523 PolarHBondContact O-N 3.08Å; N520-T523 VanDerWaalsContact O-N 3.15Å; T523-I525 VanDerWaalsContact C-N 3.35Å; T523-I525 PolarHBondContact O-N 3.48Å; T523-G526 PolarHBondContact O-N 3.05Å; T523-G526 VanDerWaalsContact O-N 3.15Å; T523-K527 HydrophobicContact CG2-CD 4.31Å; T523-K527 WeakPolarHBondContact O-CG 3.38Å; T523-K527 PolarHBondContact O-N 3.41Å
524D74.8Confident69.2Low72 Ų7262.4 Ų62.439%0.38534%0.338SS..Hα-helixtrans-57.8-43.5175.4-102.126.9000113K338 N520 I521 R522 K527 I528K338-D524 HydrophobicContact CD-CB 4.25Å; K338-D524 VanDerWaalsContact NZ-CB 3.31Å; K338-D524 IonicContact NZ-OD2 3.39Å; K338-D524 PolarHBondContact NZ-OD2 3.12Å; N520-D524 VanDerWaalsContact O-CB 3.24Å; N520-D524 WeakPolarHBondContact O-CB 3.49Å; N520-D524 PolarHBondContact O-N 3.4Å; I521-D524 WeakPolarHBondContact O-CB 3.41Å; I521-D524 PolarHBondContact O-N 2.91Å; R522-D524 VanDerWaalsContact C-N 3.33Å; R522-D524 PolarHBondContact O-N 3.29Å; D524-K527 PolarHBondContact O-N 3.37Å; D524-I528 VanDerWaalsContact O-CG1 3.31Å; D524-I528 WeakPolarHBondContact O-CG1 3.42Å
525I70.7Confident66.6Low7 Ų765 Ų654%0.03636%0.357CS..Hα-helixtrans-66.6-42.2174.6-66.4164.6000110.2Y169 M335 K338 I521 R522 T523 K527 I528Y169-I525 HydrophobicContact CD1-CB 4.46Å; Y169-I525 HydrophobicContact CD1-CG2 3.45Å; Y169-I525 VanDerWaalsContact CD1-CG2 3.45Å; Y169-I525 HydrophobicContact CD2-CD1 4.2Å; Y169-I525 HydrophobicContact CE1-CB 3.83Å; Y169-I525 HydrophobicContact CE1-CG2 3.23Å; Y169-I525 HydrophobicContact CE2-CD1 3.87Å; Y169-I525 HydrophobicContact CE2-CG2 4.38Å; Y169-I525 HydrophobicContact CG-CG2 4.11Å; M335-I525 HydrophobicContact CE-CG2 3.59Å; M335-I525 HydrophobicContact CG-CG2 4.17Å; K338-I525 HydrophobicContact CB-CD1 3.75Å; K338-I525 HydrophobicContact CB-CG1 3.64Å; K338-I525 HydrophobicContact CD-CG1 3.82Å; K338-I525 HydrophobicContact CG-CG1 4.34Å; I521-I525 HydrophobicContact CG2-CD1 3.87Å; I521-I525 HydrophobicContact CG2-CG1 4.42Å; I521-I525 VanDerWaalsContact O-CG1 3.23Å; I521-I525 WeakPolarHBondContact O-CG1 3.42Å; I521-I525 PolarHBondContact O-N 3.04Å; R522-I525 PolarHBondContact O-N 2.86Å; T523-I525 VanDerWaalsContact C-N 3.35Å; T523-I525 PolarHBondContact O-N 3.48Å; I525-K527 PolarHBondContact O-N 2.9Å; I525-I528 WeakPolarHBondContact O-CB 3.31Å; I525-I528 PolarHBondContact O-N 3.47Å; I525-I528 VanDerWaalsContact O-N 3.11Å
526G67.3Low64.2Low44 Ų4466.9 Ų66.945%0.45438%0.38SS..Hα-helixtrans-64.5-26.6178.500000114.1R522 T523 I528R522-G526 PolarHBondContact O-N 3.38Å; T523-G526 PolarHBondContact O-N 3.05Å; T523-G526 VanDerWaalsContact O-N 3.15Å; G526-I528 VanDerWaalsContact C-N 3.35Å
527K68.5Low61.8Low149 Ų14965.2 Ų65.265%0.64837%0.37SS*.THydrogen-bonded Turntrans-80.2-9.9174.5-75.1175.4178.8174.70114.1T523 D524 I525 E529T523-K527 HydrophobicContact CG2-CD 4.31Å; T523-K527 WeakPolarHBondContact O-CG 3.38Å; T523-K527 PolarHBondContact O-N 3.41Å; D524-K527 PolarHBondContact O-N 3.37Å; I525-K527 PolarHBondContact O-N 2.9Å; K527-E529 PolarHBondContact O-N 3.17Å
528I63.5Low59.3Low28 Ų2868 Ų6814%0.14438%0.378CS..  trans-70.788.5177.8-55.5174000107.8V331 I334 M335 K338 D524 I525 G526V331-I528 HydrophobicContact CB-CG2 4.22Å; V331-I528 HydrophobicContact CG1-CG2 3.51Å; V331-I528 HydrophobicContact CG2-CG2 3.89Å; I334-I528 HydrophobicContact CG2-CD1 3.93Å; M335-I528 HydrophobicContact CG-CD1 3.79Å; K338-I528 HydrophobicContact CD-CD1 4.44Å; D524-I528 VanDerWaalsContact O-CG1 3.31Å; D524-I528 WeakPolarHBondContact O-CG1 3.42Å; I525-I528 WeakPolarHBondContact O-CB 3.31Å; I525-I528 PolarHBondContact O-N 3.47Å; I525-I528 VanDerWaalsContact O-N 3.11Å; G526-I528 VanDerWaalsContact C-N 3.35Å
529E51.5Low56.9Low68 Ų6878.5 Ų78.532%0.31842%0.416SS..PPolyproline II helixtrans-78.8143.8168.5-61.1-162.3148.200109.2K527 N531 R538K527-E529 PolarHBondContact O-N 3.17Å; E529-N531 PolarHBondContact O-N 2.84Å; E529-R538 IonicContact OE2-NH2 3.77Å; E529-R538 PolarHBondContact OE2-NH2 3.34Å
530L48.7Very low54.8Low14 Ų1483.8 Ų83.87%0.07343%0.433CS..PPolyproline II helixtrans-69.5122.6163.1-73.8158.3000107.4E327 I328 V331 S532 L545 L549E327-L530 HydrophobicContact CG-CD2 4.26Å; I328-L530 HydrophobicContact CB-CD2 4.11Å; I328-L530 HydrophobicContact CG1-CD1 3.87Å; I328-L530 HydrophobicContact CG1-CD2 3.42Å; I328-L530 VanDerWaalsContact CG1-CD2 3.42Å; I328-L530 HydrophobicContact CG1-CG 4.3Å; V331-L530 HydrophobicContact CB-CD2 4.3Å; V331-L530 HydrophobicContact CG2-CD2 3.94Å; L530-S532 PolarHBondContact O-N 3.5Å; L530-L545 WeakPolarHBondContact O-CD2 3.47Å; L530-L549 HydrophobicContact CD1-CD1 3.34Å
531N40.8Very low52.4Low111 Ų11183 Ų8359%0.59445%0.448SS*.PPolyproline II helixtrans-66134.2-175.9-65.4-63.8000110.1E327 E529 S533E327-N531 WeakPolarHBondContact OE1-CA 3.44Å; E327-N531 WeakPolarHBondContact OE1-CB 3.49Å; E327-N531 PolarHBondContact OE1-N 3.03Å; E327-N531 PolarHBondContact OE1-ND2 3Å; E529-N531 PolarHBondContact O-N 2.84Å; N531-S533 VanDerWaalsContact C-N 3.31Å; N531-S533 PolarHBondContact O-N 3.43Å
532S40.2Very low50.3Low89 Ų8987.1 Ų87.162%0.62247%0.465SS*.SBendtrans65.4-40.4148.771.50000120.3L530 F534 S535L530-S532 PolarHBondContact O-N 3.5Å; S532-F534 VanDerWaalsContact C-N 3.28Å; S532-F534 PolarHBondContact O-N 2.95Å; S532-S535 WeakPolarHBondContact O-CB 3.4Å; S532-S535 PolarHBondContact O-N 3.36Å; S532-S535 PolarHBondContact O-OG 2.92Å
533S38.9Very low48.4Very low43 Ų4384.7 Ų84.730%0.30147%0.465SS..THydrogen-bonded Turntrans-69.6-21.5-174.5-65.10000114.7D324 N531D324-S533 WeakPolarHBondContact OD1-CB 3.47Å; D324-S533 PolarHBondContact OD1-OG 3.15Å; N531-S533 VanDerWaalsContact C-N 3.31Å; N531-S533 PolarHBondContact O-N 3.43Å
534F40.7Very low46.8Very low42 Ų4283.5 Ų83.518%0.18446%0.459CS..THydrogen-bonded Turntrans-109.16.6-179-76-87.3000114.2K183 S532 S536 A537 L545 L549K183-F534 VanDerWaalsContact NZ-CZ 3.35Å; S532-F534 VanDerWaalsContact C-N 3.28Å; S532-F534 PolarHBondContact O-N 2.95Å; F534-S536 PolarHBondContact O-N 2.86Å; F534-A537 PolarHBondContact O-N 2.93Å; F534-L545 HydrophobicContact CB-CD1 4.29Å; F534-L545 HydrophobicContact CB-CD2 3.59Å; F534-L545 HydrophobicContact CB-CG 4.04Å; F534-L549 HydrophobicContact CD1-CD2 3.86Å; F534-L549 HydrophobicContact CD2-CD2 4.4Å; F534-L549 HydrophobicContact CE1-CD2 3.63Å; F534-L549 HydrophobicContact CE2-CD2 4.21Å; F534-L549 HydrophobicContact CG-CD2 4.24Å; F534-L549 HydrophobicContact CZ-CD2 3.82Å
535S34.8Very low45.3Very low70 Ų7080.7 Ų80.749%0.4944%0.444SS..G310 helixtrans-60.5-11.4-175.158.70000115.5S532 A537 R538S532-S535 WeakPolarHBondContact O-CB 3.4Å; S532-S535 PolarHBondContact O-N 3.36Å; S532-S535 PolarHBondContact O-OG 2.92Å; S535-A537 PolarHBondContact O-N 3.48Å; S535-A537 VanDerWaalsContact O-N 3.08Å; S535-R538 PolarHBondContact O-N 3.43Å
536S35.7Very low43.9Very low108 Ų10881.7 Ų81.776%0.75545%0.448SS*.G310 helixtrans-59.2-18.6172.556.20000113.5F534 R538F534-S536 PolarHBondContact O-N 2.86Å; S536-R538 PolarHBondContact O-N 3.27Å
537A36.8Very low42.8Very low31 Ų3183 Ų8326%0.25644%0.444SS..G310 helixtrans-78.3-10.7179.200000115.3F534 S535 R539 L545 C548F534-A537 PolarHBondContact O-N 2.93Å; S535-A537 PolarHBondContact O-N 3.48Å; S535-A537 VanDerWaalsContact O-N 3.08Å; A537-R539 VanDerWaalsContact C-N 3.3Å; A537-R539 PolarHBondContact O-N 2.95Å; A537-L545 HydrophobicContact CB-CD1 4.25Å; A537-C548 HydrophobicContact CB-CB 4.37Å
538R36Very low41.6Very low177 Ų17776.4 Ų76.467%0.66842%0.417SS*.G310 helixtrans-71.2-13.2-175.8-84.3-166.9-169.4-176.74.7115.4E529 S535 S536 H540E529-R538 IonicContact OE2-NH2 3.77Å; E529-R538 PolarHBondContact OE2-NH2 3.34Å; S535-R538 PolarHBondContact O-N 3.43Å; S536-R538 PolarHBondContact O-N 3.27Å; R538-H540 PolarHBondContact O-N 3.37Å
539R36.6Very low40.6Very low232 Ų23276.2 Ų76.288%0.87542%0.416SS*.G310 helixtrans-65.4-7.3-173.5-78.2-168.2-176.9-176.42.1115.5A537A537-R539 VanDerWaalsContact C-N 3.3Å; A537-R539 PolarHBondContact O-N 2.95Å
540H40.9Very low40.1Very low158 Ų15874.7 Ų74.773%0.73141%0.41SS*.G310 helixtrans-127.328.6-174.4-66.6-27.3000116R538 K542R538-H540 PolarHBondContact O-N 3.37Å; H540-K542 HydrophobicContact CB-CG 4.49Å; H540-K542 PolarHBondContact O-N 2.9Å; H540-K542 VanDerWaalsContact O-N 3.08Å
541G36.6Very low39.7Very low81 Ų8178.7 Ų78.784%0.83543%0.428SS*.  trans61.824.417200000114.2
542K35.8Very low39.6Very low113 Ų11377.3 Ų77.349%0.49142%0.42SS..  trans-79.7156.1-176.8-75.1-163.1172.1-1590112.4H540 E551H540-K542 HydrophobicContact CB-CG 4.49Å; H540-K542 PolarHBondContact O-N 2.9Å; H540-K542 VanDerWaalsContact O-N 3.08Å; K542-E551 IonicContact NZ-OE2 3.61Å
543P39.7Very low39.7Very low71 Ų7176.5 Ų76.546%0.46142%0.419SS..SBendtrans-61.2172.7-177.3-15.229.1000112.7I547 C548P543-I547 HydrophobicContact CB-CB 4.12Å; P543-I547 HydrophobicContact CB-CD1 3.81Å; P543-I547 HydrophobicContact CB-CG2 4.12Å; P543-I547 HydrophobicContact CG-CG2 4.27Å; P543-C548 PolarHBondContact O-SG 2.83Å
544S44.6Very low39.6Very low46 Ų4682 Ų8232%0.32245%0.445SS..  trans-41.6144.6-175.778.50000112.8F546 I547 C548S544-F546 PolarHBondContact O-N 2.84Å; S544-I547 WeakPolarHBondContact O-CA 3.3Å; S544-I547 WeakPolarHBondContact O-CB 3.48Å; S544-I547 PolarHBondContact O-N 2.73Å; S544-C548 PolarHBondContact O-N 3.36Å
545L43.2Very low39.3Very low13 Ų1385.6 Ų85.67%0.06847%0.465CS..Hα-helixtrans-56.4-26.7-170.6-151.474.4000113.3L530 F534 A537 I547 C548 L549L530-L545 WeakPolarHBondContact O-CD2 3.47Å; F534-L545 HydrophobicContact CB-CD1 4.29Å; F534-L545 HydrophobicContact CB-CD2 3.59Å; F534-L545 HydrophobicContact CB-CG 4.04Å; A537-L545 HydrophobicContact CB-CD1 4.25Å; L545-I547 VanDerWaalsContact C-N 3.32Å; L545-I547 PolarHBondContact O-N 3.34Å; L545-C548 WeakPolarHBondContact O-CB 3.48Å; L545-C548 PolarHBondContact O-N 2.88Å; L545-L549 PolarHBondContact O-N 3.04Å
546F41.4Very low39Very low27 Ų2791.3 Ų91.312%0.11848%0.484CS..Hα-helixtrans-61.7-38173.2-154.5-79.5000112.2N172 A176 M335 S544 L550N172-F546 HydrophobicContact CB-CE1 3.55Å; N172-F546 HydrophobicContact CB-CZ 4.03Å; A176-F546 HydrophobicContact CB-CZ 4.18Å; M335-F546 HydrophobicContact SD-CE2 4.5Å; S544-F546 PolarHBondContact O-N 2.84Å; F546-L550 HydrophobicContact CD1-CD1 4.17Å; F546-L550 HydrophobicContact CE1-CD1 4.29Å; F546-L550 WeakPolarHBondContact O-CG 3.36Å; F546-L550 PolarHBondContact O-N 3.25Å
547I44.6Very low38.7Very low73 Ų7398 Ų9837%0.37451%0.51SS..Hα-helixtrans-73.5-39.2173.3-61.6174.5000110.6P543 S544 L545 L549 L550 E551P543-I547 HydrophobicContact CB-CB 4.12Å; P543-I547 HydrophobicContact CB-CD1 3.81Å; P543-I547 HydrophobicContact CB-CG2 4.12Å; P543-I547 HydrophobicContact CG-CG2 4.27Å; S544-I547 WeakPolarHBondContact O-CA 3.3Å; S544-I547 WeakPolarHBondContact O-CB 3.48Å; S544-I547 PolarHBondContact O-N 2.73Å; L545-I547 VanDerWaalsContact C-N 3.32Å; L545-I547 PolarHBondContact O-N 3.34Å; I547-L549 VanDerWaalsContact C-N 3.26Å; I547-L549 PolarHBondContact O-N 3.02Å; I547-L550 WeakPolarHBondContact O-CA 3.38Å; I547-L550 WeakPolarHBondContact O-CB 3.22Å; I547-L550 PolarHBondContact O-N 3.35Å; I547-E551 HydrophobicContact CG2-CG 4.48Å; I547-E551 PolarHBondContact O-N 2.85Å
548C41.8Very low38.8Very low10 Ų10101.3 Ų101.37%0.06852%0.523CS..Hα-helixtrans-59.7-36.1173.9-790000112.7A537 P543 S544 L545 L550 N552A537-C548 HydrophobicContact CB-CB 4.37Å; P543-C548 PolarHBondContact O-SG 2.83Å; S544-C548 PolarHBondContact O-N 3.36Å; L545-C548 WeakPolarHBondContact O-CB 3.48Å; L545-C548 PolarHBondContact O-N 2.88Å; C548-L550 VanDerWaalsContact C-N 3.26Å; C548-L550 PolarHBondContact O-N 2.94Å; C548-N552 PolarHBondContact O-N 2.68Å; C548-N552 PolarHBondContact O-ND2 3.46Å
549L43.8Very low38.9Very low23 Ų2397.3 Ų97.312%0.1252%0.515CS..Hα-helixtrans-65.2-30.3173.5-82.3161.6000112.7F179 L530 F534 L545 I547F179-L549 HydrophobicContact CD1-CD2 4.47Å; F179-L549 HydrophobicContact CE1-CD2 3.75Å; F179-L549 HydrophobicContact CZ-CD2 4.21Å; L530-L549 HydrophobicContact CD1-CD1 3.34Å; F534-L549 HydrophobicContact CD1-CD2 3.86Å; F534-L549 HydrophobicContact CD2-CD2 4.4Å; F534-L549 HydrophobicContact CE1-CD2 3.63Å; F534-L549 HydrophobicContact CE2-CD2 4.21Å; F534-L549 HydrophobicContact CG-CD2 4.24Å; F534-L549 HydrophobicContact CZ-CD2 3.82Å; L545-L549 PolarHBondContact O-N 3.04Å; I547-L549 VanDerWaalsContact C-N 3.26Å; I547-L549 PolarHBondContact O-N 3.02Å
550L40.8Very low39.1Very low37 Ų3789.8 Ų89.819%0.19450%0.495CS..Hα-helixtrans-80.9-37.6178.4-67.9169.4000112.5R175 F546 I547 C548 A553R175-L550 HydrophobicContact CB-CD2 3.44Å; R175-L550 VanDerWaalsContact CB-CD2 3.44Å; R175-L550 HydrophobicContact CG-CD2 4.13Å; F546-L550 HydrophobicContact CD1-CD1 4.17Å; F546-L550 HydrophobicContact CE1-CD1 4.29Å; F546-L550 WeakPolarHBondContact O-CG 3.36Å; F546-L550 PolarHBondContact O-N 3.25Å; I547-L550 WeakPolarHBondContact O-CA 3.38Å; I547-L550 WeakPolarHBondContact O-CB 3.22Å; I547-L550 PolarHBondContact O-N 3.35Å; C548-L550 VanDerWaalsContact C-N 3.26Å; C548-L550 PolarHBondContact O-N 2.94Å; L550-A553 WeakPolarHBondContact O-CB 3.18Å; L550-A553 PolarHBondContact O-N 3.07Å
551E40.4Very low39Very low98 Ų9885.8 Ų85.846%0.45848%0.481SS..Hα-helixtrans-74.2-32.2-179.9-76.6-173.3170.600113.5K542 I547 A553 N554K542-E551 IonicContact NZ-OE2 3.61Å; I547-E551 HydrophobicContact CG2-CG 4.48Å; I547-E551 PolarHBondContact O-N 2.85Å; E551-A553 PolarHBondContact O-N 3.25Å; E551-N554 PolarHBondContact O-N 2.99Å; E551-N554 VanDerWaalsContact O-N 3.1Å
552N38.4Very low39.1Very low81 Ų8186.1 Ų86.143%0.43346%0.459SS..G310 helixtrans-64.6-5.1174.3-79-28.9000113.2C548 N554C548-N552 PolarHBondContact O-N 2.68Å; C548-N552 PolarHBondContact O-ND2 3.46Å; N552-N554 PolarHBondContact O-N 2.85Å
553A42.9Very low39.3Very low73 Ų7384.3 Ų84.360%0.60346%0.457SS*.G310 helixtrans-67.2-14.8169.600000113.9L550 E551L550-A553 WeakPolarHBondContact O-CB 3.18Å; L550-A553 PolarHBondContact O-N 3.07Å; E551-A553 PolarHBondContact O-N 3.25Å
554N36.7Very low39.3Very low158 Ų15885.3 Ų85.385%0.84546%0.456SS*.G310 helixtrans-10011179.3-92.1-7.2000114.7E551 N552E551-N554 PolarHBondContact O-N 2.99Å; E551-N554 VanDerWaalsContact O-N 3.1Å; N552-N554 PolarHBondContact O-N 2.85Å
555I32.6Very low38.9Very low118 Ų11888.3 Ų88.361%0.60547%0.467SS*.SBendtrans-109.5113.7178.7-58.3177.3000109.1
556Q29.7Very low38.5Very low189 Ų18994.6 Ų94.688%0.88350%0.5SS*.  trans83.178.1176-63.9-177.7-18.100116.8
557L29.2Very low38.3Very low248 Ų248100.7 Ų100.7100%1.29854%0.535SS*.  trans-890132-100.1162.5000108.4

Retrieved 557 of 557 residues in 1228.3 ms (Link to these results)

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