G4VHY4_SCHMA Loading...

N-acetyl-D-glucosamine kinase

AlphaFold DB , UniProt , Accession G4VHY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 342 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
1M61.3Low91.6Very high205 Ų20533.8 Ų33.8100%1.0119%0.189SC*.  0142.40-83-178.3-89.900108.1
2A79.2Confident91.2Very high52 Ų5232.1 Ų32.143%0.4318%0.182SC..  trans-66.3140.6172.300000109.1L4A2-L4 HydrophobicContact CB-CD2 4.1Å; A2-L4 HydrophobicContact CB-CG 4.18Å; A2-L4 PolarHBondContact O-N 3.13Å; A2-L4 VanDerWaalsContact O-N 3.1Å
3F92.3Very high90.9Very high67 Ų6736.2 Ų36.229%0.29421%0.209SC..  trans-78.495.6174.9-165.9-85000108.5I5 A69 R70 V317 V323F3-I5 HydrophobicContact CD1-CD1 3.92Å; F3-I5 HydrophobicContact CD1-CG1 3.8Å; F3-I5 HydrophobicContact CE1-CD1 3.74Å; F3-I5 HydrophobicContact CE1-CG1 3.68Å; F3-A69 HydrophobicContact CD1-CB 4.22Å; F3-A69 HydrophobicContact CD2-CB 3.79Å; F3-A69 HydrophobicContact CE1-CB 4.18Å; F3-A69 HydrophobicContact CE2-CB 3.76Å; F3-A69 HydrophobicContact CG-CB 4.03Å; F3-A69 HydrophobicContact CZ-CB 3.97Å; F3-R70 HydrophobicContact CE1-CG 4.13Å; F3-R70 HydrophobicContact CZ-CG 3.96Å; F3-V317 HydrophobicContact CE1-CG1 4.32Å; F3-V323 HydrophobicContact CD1-CG2 4.37Å; F3-V323 HydrophobicContact CE1-CG1 4.28Å; F3-V323 HydrophobicContact CE1-CG2 3.79Å; F3-V323 HydrophobicContact CZ-CG2 3.94Å
4L97.5Very high91Very high1 Ų137.9 Ų37.91%0.00522%0.216CC..  trans-100.7132.8-175.7-63179000111.6A2 L19 L27 E66 L68 A69 R70A2-L4 HydrophobicContact CB-CD2 4.1Å; A2-L4 HydrophobicContact CB-CG 4.18Å; A2-L4 PolarHBondContact O-N 3.13Å; A2-L4 VanDerWaalsContact O-N 3.1Å; L4-L19 HydrophobicContact CB-CD1 4.14Å; L4-L19 HydrophobicContact CD2-CD2 4.48Å; L4-L27 HydrophobicContact CD2-CD1 3.61Å; L4-E66 HydrophobicContact CD1-CG 4.22Å; L4-E66 WeakPolarHBondContact CD1-OE1 3.49Å; L4-L68 HydrophobicContact CB-CD2 3.96Å; L4-L68 HydrophobicContact CD1-CD2 4.36Å; L4-A69 WeakPolarHBondContact O-CB 3.25Å; L4-A69 PolarHBondContact O-N 3.26Å; L4-R70 PolarHBondContact O-N 3.28Å
5I98.2Very high91.4Very high0 Ų035.3 Ų35.30%020%0.201CC..EExtended strand (participates in β ladder)trans-121.8114.3-175.9-54167.9000107.6F3 L20 R70 A313 S316 V317 V323 I325F3-I5 HydrophobicContact CD1-CD1 3.92Å; F3-I5 HydrophobicContact CD1-CG1 3.8Å; F3-I5 HydrophobicContact CE1-CD1 3.74Å; F3-I5 HydrophobicContact CE1-CG1 3.68Å; I5-L20 HydrophobicContact CB-CB 4.36Å; I5-L20 PolarHBondContact N-O 2.81Å; I5-L20 PolarHBondContact O-N 3.18Å; I5-R70 WeakPolarHBondContact CA-O 3.43Å; I5-R70 HydrophobicContact CB-CB 4.47Å; I5-R70 HydrophobicContact CG1-CB 4.32Å; I5-R70 HydrophobicContact CG2-CB 4.07Å; I5-A313 HydrophobicContact CG2-CB 3.87Å; I5-S316 WeakPolarHBondContact CG2-OG 3.38Å; I5-V317 HydrophobicContact CD1-CG1 3.83Å; I5-V317 HydrophobicContact CG1-CG1 4.29Å; I5-V317 HydrophobicContact CG2-CG1 4.42Å; I5-V323 HydrophobicContact CD1-CG1 3.83Å; I5-I325 HydrophobicContact CD1-CD1 3.77Å; I5-I325 HydrophobicContact CD1-CG1 4.46Å; I5-I325 HydrophobicContact CG2-CD1 4.29Å
6G98.4Very high91.8Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-92.2142.8172.800000110.9V18 R70 L71 G72G6-V18 WeakPolarHBondContact CA-O 3.42Å; G6-R70 PolarHBondContact N-O 3.34Å; G6-L71 CarbonylContact O-C 3.53Å; G6-L71 WeakPolarHBondContact O-CA 3.39Å; G6-G72 PolarHBondContact O-N 3.42Å
7G98.5Very high92.2Very high0 Ų035.8 Ų35.80%020%0.195CC..EExtended strand (participates in β ladder)trans-133.6133.6168.500000110.5M17 V18 G72 A309G7-M17 CarbonylContact O-C 3.59Å; G7-M17 VanDerWaalsContact O-CA 3.22Å; G7-M17 WeakPolarHBondContact O-CA 3.47Å; G7-M17 WeakPolarHBondContact O-CG 3.27Å; G7-V18 PolarHBondContact N-O 3.4Å; G7-V18 PolarHBondContact O-N 2.81Å; G7-G72 CarbonylContact C-O 3.48Å; G7-G72 WeakPolarHBondContact CA-O 3.28Å; G7-A309 CarbonylContact C-O 3.56Å; G7-A309 VanDerWaalsContact CA-O 3.3Å; G7-A309 WeakPolarHBondContact CA-O 3.5Å; G7-A309 WeakPolarHBondContact O-CB 3.3Å
8I98.7Very high92.6Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-122.9128.1179.2-64.6174000109.3R16 M17 I49 L52 V53 L71 G72 L73 S74 L75 A312I8-R16 CarbonylContact C-O 3.59Å; I8-R16 VanDerWaalsContact CA-O 3.3Å; I8-R16 WeakPolarHBondContact CA-O 3.26Å; I8-M17 HydrophobicContact CD1-CE 4.49Å; I8-M17 HydrophobicContact CD1-CG 4.29Å; I8-M17 HydrophobicContact CD1-SD 3.85Å; I8-M17 HydrophobicContact CG1-CB 3.87Å; I8-M17 HydrophobicContact CG1-CE 4.43Å; I8-M17 HydrophobicContact CG1-CG 3.57Å; I8-M17 HydrophobicContact CG1-SD 3.8Å; I8-I49 HydrophobicContact CD1-CG2 3.73Å; I8-L52 HydrophobicContact CD1-CB 4.24Å; I8-L52 HydrophobicContact CD1-CD1 4.4Å; I8-L52 HydrophobicContact CG2-CD1 3.95Å; I8-V53 HydrophobicContact CD1-CG2 4.17Å; I8-L71 HydrophobicContact CD1-CD1 4.14Å; I8-L71 HydrophobicContact CG1-CD1 4.36Å; I8-G72 PolarHBondContact N-O 3.2Å; I8-L73 HydrophobicContact CB-CD2 3.83Å; I8-L73 HydrophobicContact CD1-CD2 3.77Å; I8-L73 HydrophobicContact CG1-CD2 4.14Å; I8-S74 PolarHBondContact O-N 2.89Å; I8-L75 HydrophobicContact CG2-CD2 4.07Å; I8-A312 WeakPolarHBondContact O-CB 3.45Å
9E97.3Very high92.9Very high25 Ų2532.2 Ų32.212%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-101.5146.5158.772.1175.3176.300110S15 R16 S74 S307 A308 A309E9-S15 CarbonylContact O-C 3.56Å; E9-S15 WeakPolarHBondContact O-CA 3.25Å; E9-S15 WeakPolarHBondContact O-CB 3.32Å; E9-R16 HydrophobicContact CG-CB 3.92Å; E9-R16 HydrophobicContact CG-CG 4.32Å; E9-R16 PolarHBondContact N-O 2.86Å; E9-R16 PolarHBondContact O-N 2.93Å; E9-R16 WeakPolarHBondContact OE1-CD 3.28Å; E9-R16 WeakPolarHBondContact OE1-CG 3.3Å; E9-R16 IonicContact OE1-CZ 3.65Å; E9-R16 IonicContact OE1-NE 3.05Å; E9-R16 IonicContact OE1-NH1 3.15Å; E9-R16 PolarHBondContact OE1-NH1 3.44Å; E9-S74 WeakPolarHBondContact CA-O 3.43Å; E9-S307 VanDerWaalsContact CG-OG 3.27Å; E9-S307 WeakPolarHBondContact CG-OG 3.46Å; E9-S307 WeakPolarHBondContact OE1-CB 3.44Å; E9-S307 PolarHBondContact OE1-OG 2.74Å; E9-S307 PolarHBondContact OE2-OG 2.94Å; E9-A308 HydrophobicContact CB-CB 4.07Å; E9-A308 WeakPolarHBondContact OE2-CA 3.21Å; E9-A308 WeakPolarHBondContact OE2-CB 3.4Å; E9-A308 PolarHBondContact OE2-N 3.11Å; E9-A309 HydrophobicContact CB-CB 4.36Å; E9-A309 HydrophobicContact CG-CB 4.24Å
10G94.9Very high93.1Very high7 Ų730.6 Ų30.67%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-161.1142-177.300000113.7T35 S74 L75 S76G10-T35 WeakPolarHBondContact CA-OG1 3.33Å; G10-S74 PolarHBondContact N-O 3.41Å; G10-L75 CarbonylContact O-C 3.42Å; G10-L75 WeakPolarHBondContact O-CA 3.47Å; G10-S76 PolarHBondContact O-N 3.4Å
11G91.2Very high93.2Very high15 Ų1531 Ų3116%0.15517%0.169CC..  trans-151.5-141.4-18000000112.6P34 T35 N36G11-P34 WeakPolarHBondContact O-CA 3.34Å; G11-P34 VanDerWaalsContact O-CB 3.28Å; G11-P34 WeakPolarHBondContact O-CB 3.41Å; G11-T35 PolarHBondContact O-N 2.96Å; G11-N36 PolarHBondContact O-N 3.04Å
12A87.4Confident94.7Very high13 Ų1323.8 Ų23.811%0.10714%0.139CC..SBendtrans-89.4-6.8-175.400000114.8P34 L39 T127A12-P34 VanDerWaalsContact O-CG 3.29Å; A12-P34 WeakPolarHBondContact O-CG 3.48Å; A12-L39 HydrophobicContact CB-CD1 3.94Å; A12-T127 HydrophobicContact CB-CG2 3.93Å
13T86.4Confident95.3Very high86 Ų8624.9 Ų24.953%0.52814%0.143SC..SBendtrans-124.1-53-171.6-52.20000113P34 T127T13-P34 WeakPolarHBondContact O-CD 3.29Å; T13-P34 WeakPolarHBondContact O-CG 3.48Å; T13-T127 PolarHBondContact OG1-OG1 3.34Å
14I93.4Very high95.3Very high59 Ų5922 Ų2230%0.30313%0.133SC..  trans-144155.3-179.1-167.5168000108.4E31I14-E31 HydrophobicContact CD1-CB 4.32Å; I14-E31 HydrophobicContact CD1-CG 4.42Å
15S97Very high95.2Very high0 Ų026.6 Ų26.60%016%0.157CC..EExtended strand (participates in β ladder)trans-122.9146.7168-50.80000109.2E9 E31 G32 P33 T35E9-S15 CarbonylContact O-C 3.56Å; E9-S15 WeakPolarHBondContact O-CA 3.25Å; E9-S15 WeakPolarHBondContact O-CB 3.32Å; S15-E31 WeakPolarHBondContact O-CA 3.42Å; S15-G32 PolarHBondContact N-O 2.69Å; S15-G32 PolarHBondContact O-N 3.17Å; S15-P33 WeakPolarHBondContact CB-O 3.48Å; S15-P33 PolarHBondContact OG-O 3.02Å; S15-T35 VanDerWaalsContact OG-CG2 3.25Å; S15-T35 WeakPolarHBondContact OG-CG2 3.2Å; S15-T35 PolarHBondContact OG-OG1 3.15Å
16R98Very high95.1Very high79 Ų7931.3 Ų31.330%0.29818%0.179SC..EExtended strand (participates in β ladder)trans-130.9144.9178.5-53.3-174.2174.198.31.5109.8I8 E9 Y29 S30 E31I8-R16 CarbonylContact C-O 3.59Å; I8-R16 VanDerWaalsContact CA-O 3.3Å; I8-R16 WeakPolarHBondContact CA-O 3.26Å; E9-R16 HydrophobicContact CG-CB 3.92Å; E9-R16 HydrophobicContact CG-CG 4.32Å; E9-R16 PolarHBondContact N-O 2.86Å; E9-R16 PolarHBondContact O-N 2.93Å; E9-R16 WeakPolarHBondContact OE1-CD 3.28Å; E9-R16 WeakPolarHBondContact OE1-CG 3.3Å; E9-R16 IonicContact OE1-CZ 3.65Å; E9-R16 IonicContact OE1-NE 3.05Å; E9-R16 IonicContact OE1-NH1 3.15Å; E9-R16 PolarHBondContact OE1-NH1 3.44Å; R16-Y29 HydrophobicContact CB-CE2 4.17Å; R16-Y29 WeakPolarHBondContact CD-OH 3.28Å; R16-Y29 PolarHBondContact NE-OH 3.43Å; R16-S30 WeakPolarHBondContact CA-O 3.36Å; R16-E31 HydrophobicContact CG-CG 4.21Å; R16-E31 IonicContact NE-OE1 2.68Å; R16-E31 PolarHBondContact NE-OE1 3.39Å; R16-E31 VanDerWaalsContact NE-OE1 3.14Å
17M98.4Very high95Very high0 Ų034.5 Ų34.50%020%0.196CC..EExtended strand (participates in β ladder)trans-125.8140.6173.9-172173178.600110.9G7 I8 Y29 S30 L52 V53 V56 L68 L71G7-M17 CarbonylContact O-C 3.59Å; G7-M17 VanDerWaalsContact O-CA 3.22Å; G7-M17 WeakPolarHBondContact O-CA 3.47Å; G7-M17 WeakPolarHBondContact O-CG 3.27Å; I8-M17 HydrophobicContact CD1-CE 4.49Å; I8-M17 HydrophobicContact CD1-CG 4.29Å; I8-M17 HydrophobicContact CD1-SD 3.85Å; I8-M17 HydrophobicContact CG1-CB 3.87Å; I8-M17 HydrophobicContact CG1-CE 4.43Å; I8-M17 HydrophobicContact CG1-CG 3.57Å; I8-M17 HydrophobicContact CG1-SD 3.8Å; M17-Y29 WeakPolarHBondContact O-CA 3.31Å; M17-Y29 VanDerWaalsContact O-CD2 3.28Å; M17-Y29 WeakPolarHBondContact O-CD2 3.21Å; M17-S30 WeakPolarHBondContact CB-OG 3.36Å; M17-S30 PolarHBondContact N-O 3.35Å; M17-S30 PolarHBondContact O-N 2.94Å; M17-S30 VanDerWaalsContact O-N 3.08Å; M17-L52 HydrophobicContact CB-CB 4.26Å; M17-L52 HydrophobicContact SD-CB 4.12Å; M17-L52 VanDerWaalsContact SD-O 3.38Å; M17-V53 HydrophobicContact CE-CB 4.24Å; M17-V53 HydrophobicContact CE-CG1 4.41Å; M17-V53 HydrophobicContact CE-CG2 3.74Å; M17-V53 WeakPolarHBondContact SD-CA 3.17Å; M17-V53 HydrophobicContact SD-CB 4.26Å; M17-V53 HydrophobicContact SD-CG2 3.88Å; M17-V56 HydrophobicContact CE-CB 4.5Å; M17-V56 HydrophobicContact CE-CG1 3.46Å; M17-V56 VanDerWaalsContact CE-CG1 3.46Å; M17-V56 HydrophobicContact CG-CB 4.3Å; M17-V56 HydrophobicContact CG-CG1 4.19Å; M17-V56 HydrophobicContact CG-CG2 4.49Å; M17-V56 HydrophobicContact SD-CB 3.98Å; M17-V56 HydrophobicContact SD-CG1 3.48Å; M17-V56 WeakPolarHBondContact SD-CG1 3.44Å; M17-L68 HydrophobicContact CE-CD1 3.96Å; M17-L71 HydrophobicContact CE-CD1 4.08Å
18V98.4Very high95Very high3 Ų334.9 Ų34.92%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-117.4145.6166.4-63.30000109.7G6 G7 L20 Q26 Y29 A309 A313G6-V18 WeakPolarHBondContact CA-O 3.42Å; G7-V18 PolarHBondContact N-O 3.4Å; G7-V18 PolarHBondContact O-N 2.81Å; V18-L20 HydrophobicContact CB-CD2 4.22Å; V18-L20 HydrophobicContact CG2-CD2 4.13Å; V18-L20 HydrophobicContact CG2-CG 4.25Å; V18-Q26 HydrophobicContact CB-CG 4.46Å; V18-Y29 HydrophobicContact CG1-CD2 4.1Å; V18-A309 HydrophobicContact CG1-CB 4.21Å; V18-A309 HydrophobicContact CG2-CB 3.99Å; V18-A313 HydrophobicContact CG2-CB 4.47Å
19L98.4Very high94.9Very high0 Ų038.8 Ų38.80%022%0.216CC..EExtended strand (participates in β ladder)trans-111.5124.3168.9-174.270.6000108.4L4 Q26 L27 G28 V56 L57 S60 L68L4-L19 HydrophobicContact CB-CD1 4.14Å; L4-L19 HydrophobicContact CD2-CD2 4.48Å; L19-Q26 CarbonylContact O-C 3.56Å; L19-L27 HydrophobicContact CD2-CB 4.29Å; L19-L27 HydrophobicContact CG-CB 4.37Å; L19-L27 PolarHBondContact O-N 3.1Å; L19-G28 PolarHBondContact N-O 2.95Å; L19-G28 PolarHBondContact O-N 3.29Å; L19-V56 HydrophobicContact CB-CG1 4.26Å; L19-V56 HydrophobicContact CB-CG2 3.74Å; L19-L57 HydrophobicContact CD2-CD2 4.35Å; L19-S60 WeakPolarHBondContact CD2-OG 3.41Å; L19-L68 HydrophobicContact CD1-CD2 3.6Å
20L97.4Very high95Very high0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-117.8154.2-177.4-48.7-178000111.5I5 V18 N25 Q26 Y310 A313 I325I5-L20 HydrophobicContact CB-CB 4.36Å; I5-L20 PolarHBondContact N-O 2.81Å; I5-L20 PolarHBondContact O-N 3.18Å; V18-L20 HydrophobicContact CB-CD2 4.22Å; V18-L20 HydrophobicContact CG2-CD2 4.13Å; V18-L20 HydrophobicContact CG2-CG 4.25Å; L20-N25 VanDerWaalsContact CA-O 3.27Å; L20-N25 WeakPolarHBondContact CA-O 3.47Å; L20-Q26 HydrophobicContact CD2-CB 3.94Å; L20-Q26 HydrophobicContact CD2-CG 4.23Å; L20-Y310 HydrophobicContact CD1-CD2 3.73Å; L20-Y310 HydrophobicContact CD1-CE2 3.66Å; L20-Y310 HydrophobicContact CD2-CD2 4.11Å; L20-Y310 HydrophobicContact CD2-CE2 4.15Å; L20-A313 HydrophobicContact CD1-CB 3.53Å; L20-A313 HydrophobicContact CG-CB 4.19Å; L20-I325 HydrophobicContact CD1-CD1 3.99Å; L20-I325 HydrophobicContact CD1-CG2 4.41Å
21D95.1Very high95.1Very high38 Ų3842 Ų4220%0.20323%0.229CC..  trans-83.5178.2160.570.514.4000111.8S23 G24 N25 L27D21-S23 PolarHBondContact O-N 3.39Å; D21-S23 VanDerWaalsContact O-N 3.15Å; D21-S23 WeakPolarHBondContact OD1-CA 3.45Å; D21-S23 WeakPolarHBondContact OD1-CB 3.4Å; D21-S23 PolarHBondContact OD1-N 2.9Å; D21-G24 PolarHBondContact O-N 3.41Å; D21-G24 VanDerWaalsContact O-N 3.11Å; D21-G24 PolarHBondContact OD1-N 3.37Å; D21-N25 PolarHBondContact N-O 3.25Å; D21-N25 VanDerWaalsContact N-O 3.09Å; D21-N25 PolarHBondContact OD1-N 2.92Å; D21-N25 PolarHBondContact OD1-ND2 2.97Å; D21-N25 WeakPolarHBondContact OD2-CB 3.49Å; D21-N25 PolarHBondContact OD2-ND2 3.48Å; D21-L27 HydrophobicContact CB-CD1 4.1Å; D21-L27 HydrophobicContact CB-CD2 4.4Å; D21-L27 HydrophobicContact CB-CG 4.37Å
22S93.1Very high95.4Very high55 Ų5542.1 Ų42.139%0.38523%0.23SC..THydrogen-bonded Turntrans-66.3-10.2178.357.90000114.9
23S92.3Very high95.8Very high74 Ų7444.9 Ų44.952%0.51725%0.247SC..THydrogen-bonded Turntrans-99.4-1.5177.1-57.10000112.1D21D21-S23 PolarHBondContact O-N 3.39Å; D21-S23 VanDerWaalsContact O-N 3.15Å; D21-S23 WeakPolarHBondContact OD1-CA 3.45Å; D21-S23 WeakPolarHBondContact OD1-CB 3.4Å; D21-S23 PolarHBondContact OD1-N 2.9Å
24G92.4Very high96.2Very high8 Ų842 Ų428%0.08223%0.23CC..  trans84.110.2-178.200000114.8D21D21-G24 PolarHBondContact O-N 3.41Å; D21-G24 VanDerWaalsContact O-N 3.11Å; D21-G24 PolarHBondContact OD1-N 3.37Å
25N94.3Very high96.3Very high96 Ų9639.2 Ų39.251%0.51322%0.216SC..  trans-75.2132.4175.3-56.6-58.9000110L20 D21 L27L20-N25 VanDerWaalsContact CA-O 3.27Å; L20-N25 WeakPolarHBondContact CA-O 3.47Å; D21-N25 PolarHBondContact N-O 3.25Å; D21-N25 VanDerWaalsContact N-O 3.09Å; D21-N25 PolarHBondContact OD1-N 2.92Å; D21-N25 PolarHBondContact OD1-ND2 2.97Å; D21-N25 WeakPolarHBondContact OD2-CB 3.49Å; D21-N25 PolarHBondContact OD2-ND2 3.48Å; N25-L27 PolarHBondContact O-N 3.22Å
26Q95.8Very high96.2Very high99 Ų9939.7 Ų39.746%0.46322%0.218SC..EExtended strand (participates in β ladder)trans-74.7117176.9-170.2179.1-60.700111.2V18 L19 L20 G28V18-Q26 HydrophobicContact CB-CG 4.46Å; L19-Q26 CarbonylContact O-C 3.56Å; L20-Q26 HydrophobicContact CD2-CB 3.94Å; L20-Q26 HydrophobicContact CD2-CG 4.23Å; Q26-G28 WeakPolarHBondContact CG-O 3.13Å
27L97Very high96Very high67 Ų6736.6 Ų36.635%0.35121%0.209SC..EExtended strand (participates in β ladder)trans-93.1-24.2177.4-56.1179.7000112.8L4 L19 D21 N25 S60L4-L27 HydrophobicContact CD2-CD1 3.61Å; L19-L27 HydrophobicContact CD2-CB 4.29Å; L19-L27 HydrophobicContact CG-CB 4.37Å; L19-L27 PolarHBondContact O-N 3.1Å; D21-L27 HydrophobicContact CB-CD1 4.1Å; D21-L27 HydrophobicContact CB-CD2 4.4Å; D21-L27 HydrophobicContact CB-CG 4.37Å; N25-L27 PolarHBondContact O-N 3.22Å; L27-S60 WeakPolarHBondContact O-CB 3.47Å
28G97.4Very high95.6Very high9 Ų945 Ų459%0.09324%0.24CC..EExtended strand (participates in β ladder)trans-164.5162.6-174.500000113.3L19 Q26 V56L19-G28 PolarHBondContact N-O 2.95Å; L19-G28 PolarHBondContact O-N 3.29Å; Q26-G28 WeakPolarHBondContact CG-O 3.13Å; G28-V56 VanDerWaalsContact C-CG2 3.5Å
29Y98.2Very high95.1Very high82 Ų8249 Ų4932%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-146.2143.8-179.9-178.9-103.7000111.1R16 M17 V18 E31 N59R16-Y29 HydrophobicContact CB-CE2 4.17Å; R16-Y29 WeakPolarHBondContact CD-OH 3.28Å; R16-Y29 PolarHBondContact NE-OH 3.43Å; M17-Y29 WeakPolarHBondContact O-CA 3.31Å; M17-Y29 VanDerWaalsContact O-CD2 3.28Å; M17-Y29 WeakPolarHBondContact O-CD2 3.21Å; V18-Y29 HydrophobicContact CG1-CD2 4.1Å; Y29-E31 HydrophobicContact CD1-CG 4.45Å; Y29-E31 HydrophobicContact CE1-CG 3.39Å; Y29-E31 VanDerWaalsContact CZ-CG 3.47Å; Y29-E31 WeakPolarHBondContact OH-CG 3.26Å; Y29-E31 PolarHBondContact OH-OE1 2.88Å; Y29-N59 PolarHBondContact O-ND2 2.84Å
30S98.3Very high94.8Very high4 Ų451.5 Ų51.53%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-144.7154.916862.70000110.8R16 M17 L52R16-S30 WeakPolarHBondContact CA-O 3.36Å; M17-S30 WeakPolarHBondContact CB-OG 3.36Å; M17-S30 PolarHBondContact N-O 3.35Å; M17-S30 PolarHBondContact O-N 2.94Å; M17-S30 VanDerWaalsContact O-N 3.08Å; S30-L52 PolarHBondContact OG-O 3.41Å
31E98Very high94.6Very high94 Ų9453.2 Ų53.244%0.43929%0.292SS..EExtended strand (participates in β ladder)trans-125.2154.5171.7-62.4-167.6141.100109.5I14 S15 R16 Y29I14-E31 HydrophobicContact CD1-CB 4.32Å; I14-E31 HydrophobicContact CD1-CG 4.42Å; S15-E31 WeakPolarHBondContact O-CA 3.42Å; R16-E31 HydrophobicContact CG-CG 4.21Å; R16-E31 IonicContact NE-OE1 2.68Å; R16-E31 PolarHBondContact NE-OE1 3.39Å; R16-E31 VanDerWaalsContact NE-OE1 3.14Å; Y29-E31 HydrophobicContact CD1-CG 4.45Å; Y29-E31 HydrophobicContact CE1-CG 3.39Å; Y29-E31 VanDerWaalsContact CZ-CG 3.47Å; Y29-E31 WeakPolarHBondContact OH-CG 3.26Å; Y29-E31 PolarHBondContact OH-OE1 2.88Å
32G96.8Very high94.6Very high18 Ų1854.2 Ų54.219%0.18630%0.297CS..EExtended strand (participates in β ladder)trans-158-178.3-178.600000113.3S15S15-G32 PolarHBondContact N-O 2.69Å; S15-G32 PolarHBondContact O-N 3.17Å
33P95.9Very high94.8Very high71 Ų7155.7 Ų55.746%0.46130%0.298SS..SBendtrans-64.2170.1179.727.3-34.5000112.6S15 R48S15-P33 WeakPolarHBondContact CB-O 3.48Å; S15-P33 PolarHBondContact OG-O 3.02Å; P33-R48 HydrophobicContact CG-CG 4.03Å
34P94.4Very high95.1Very high26 Ų2655.7 Ų55.717%0.16929%0.289CS..  trans-50.5150.7173.4-26.633.4000113G11 A12 T13 L40 R48G11-P34 WeakPolarHBondContact O-CA 3.34Å; G11-P34 VanDerWaalsContact O-CB 3.28Å; G11-P34 WeakPolarHBondContact O-CB 3.41Å; A12-P34 VanDerWaalsContact O-CG 3.29Å; A12-P34 WeakPolarHBondContact O-CG 3.48Å; T13-P34 WeakPolarHBondContact O-CD 3.29Å; T13-P34 WeakPolarHBondContact O-CG 3.48Å; P34-L40 WeakPolarHBondContact O-CD1 3.36Å; P34-R48 WeakPolarHBondContact O-CD 3.48Å; P34-R48 PolarHBondContact O-NH1 3.16Å
35T95.7Very high95.3Very high0 Ų055.3 Ų55.30%029%0.286CS..  trans-131.111.7-178.243.70000113.4G10 G11 S15 P37 R48 I49 L52G10-T35 WeakPolarHBondContact CA-OG1 3.33Å; G11-T35 PolarHBondContact O-N 2.96Å; S15-T35 VanDerWaalsContact OG-CG2 3.25Å; S15-T35 WeakPolarHBondContact OG-CG2 3.2Å; S15-T35 PolarHBondContact OG-OG1 3.15Å; T35-P37 VanDerWaalsContact O-CD 3.28Å; T35-P37 WeakPolarHBondContact O-CD 3.4Å; T35-R48 HydrophobicContact CG2-CB 3.79Å; T35-I49 HydrophobicContact CG2-CG1 4.07Å; T35-L52 HydrophobicContact CG2-CD1 4.49Å
36N94.1Very high95.5Very high11 Ų1150.7 Ų50.76%0.05926%0.261CS..  trans-65.7114.9178.6-175.2-38.9000111.2G11 W38 L39 L40 S76G11-N36 PolarHBondContact O-N 3.04Å; N36-W38 VanDerWaalsContact C-N 3.28Å; N36-W38 PolarHBondContact O-N 3.08Å; N36-W38 WeakPolarHBondContact OD1-CB 3.36Å; N36-W38 PolarHBondContact OD1-N 2.89Å; N36-L39 HydrophobicContact CB-CD1 4.23Å; N36-L39 HydrophobicContact CB-CG 4.37Å; N36-L39 PolarHBondContact O-N 3.08Å; N36-L39 VanDerWaalsContact O-N 3.13Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 2.94Å; N36-S76 WeakPolarHBondContact CA-O 3.32Å; N36-S76 VanDerWaalsContact CG-O 3.28Å; N36-S76 PolarHBondContact ND2-O 2.75Å; N36-S76 PolarHBondContact ND2-OG 2.87Å
37P93.5Very high95.6Very high14 Ų1451 Ų519%0.09126%0.262CS..Hα-helixtrans-67.5-25-174.327.3-34.7000113.3T35 L39 G41 L42 A45 S76T35-P37 VanDerWaalsContact O-CD 3.28Å; T35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-L39 PolarHBondContact O-N 3.25Å; P37-G41 VanDerWaalsContact O-CA 3.32Å; P37-G41 WeakPolarHBondContact O-CA 3.32Å; P37-G41 PolarHBondContact O-N 3.3Å; P37-L42 HydrophobicContact CB-CD2 4.19Å; P37-A45 HydrophobicContact CB-CB 4.18Å; P37-S76 WeakPolarHBondContact CD-O 3.48Å
38W90.5Very high95.6Very high176 Ų17650.1 Ų50.167%0.66725%0.254SS*.Hα-helixtrans-67.2-25.3175.5-64.2121.9000113.1N36 G77 D79N36-W38 VanDerWaalsContact C-N 3.28Å; N36-W38 PolarHBondContact O-N 3.08Å; N36-W38 WeakPolarHBondContact OD1-CB 3.36Å; N36-W38 PolarHBondContact OD1-N 2.89Å; W38-G77 PolarHBondContact NE1-O 3.09Å; W38-G77 VanDerWaalsContact NE1-O 3.15Å; W38-D79 PolarHBondContact NE1-OD2 2.91Å
39L88.6Confident95.7Very high88 Ų8849.7 Ų49.746%0.46125%0.25SC..Hα-helixtrans-94.2-28.7-179.6-61.7178.8000112.7A12 N36 P37A12-L39 HydrophobicContact CB-CD1 3.94Å; N36-L39 HydrophobicContact CB-CD1 4.23Å; N36-L39 HydrophobicContact CB-CG 4.37Å; N36-L39 PolarHBondContact O-N 3.08Å; N36-L39 VanDerWaalsContact O-N 3.13Å; P37-L39 PolarHBondContact O-N 3.25Å
40L91.4Very high95.7Very high52 Ų5247.1 Ų47.127%0.27224%0.242SC..Hα-helixtrans-108.3-24.9-169.5-59173.1000113.3P34 N36 E44P34-L40 WeakPolarHBondContact O-CD1 3.36Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 2.94Å; L40-E44 HydrophobicContact CB-CB 4.09Å; L40-E44 HydrophobicContact CB-CG 3.96Å; L40-E44 HydrophobicContact CD1-CG 4.46Å; L40-E44 HydrophobicContact CD2-CG 4.35Å; L40-E44 HydrophobicContact CG-CG 4.49Å
41G94Very high95.7Very high36 Ų3650.2 Ų50.237%0.37126%0.258SS..  trans82.6160.9-159.300000112.3P37 A45P37-G41 VanDerWaalsContact O-CA 3.32Å; P37-G41 WeakPolarHBondContact O-CA 3.32Å; P37-G41 PolarHBondContact O-N 3.3Å; G41-A45 WeakPolarHBondContact O-CB 3.42Å; G41-A45 PolarHBondContact O-N 3.21Å
42L95.4Very high95.7Very high59 Ų5945.9 Ų45.931%0.30924%0.238SC..Hα-helixtrans-65.1-41.3-173.6-69.5168.6000113.4P37 A45 A46 E86 L87P37-L42 HydrophobicContact CB-CD2 4.19Å; L42-A45 PolarHBondContact O-N 2.83Å; L42-A46 WeakPolarHBondContact O-CB 3.33Å; L42-A46 PolarHBondContact O-N 3Å; L42-E86 HydrophobicContact CD1-CB 3.9Å; L42-E86 HydrophobicContact CD2-CB 4.19Å; L42-L87 HydrophobicContact CD2-CB 4.12Å; L42-L87 HydrophobicContact CD2-CD1 4.43Å
43E97Very high95.8Very high85 Ų8545.3 Ų45.340%0.39723%0.23SC..Hα-helixtrans-67-48.5-174.3-64-70.1-178.500111.3A45 A46 E47 K93 H94E43-A45 PolarHBondContact O-N 2.65Å; E43-A46 PolarHBondContact O-N 2.64Å; E43-E47 PolarHBondContact O-N 3.37Å; E43-K93 IonicContact OE1-NZ 3.55Å; E43-K93 PolarHBondContact OE1-NZ 3.2Å; E43-H94 IonicContact OE2-CD2 2.64Å; E43-H94 IonicContact OE2-CE1 3.28Å; E43-H94 PolarHBondContact OE2-CE1 3.29Å; E43-H94 IonicContact OE2-NE2 4Å; E43-H94 PolarHBondContact OE2-NE2 2.84Å
44E97.2Very high95.9Very high74 Ų7446.8 Ų46.835%0.34623%0.23SC..Hα-helixtrans-64-39.7176.2178.667.1-163.500111.7L40 E47 R48L40-E44 HydrophobicContact CB-CB 4.09Å; L40-E44 HydrophobicContact CB-CG 3.96Å; L40-E44 HydrophobicContact CD1-CG 4.46Å; L40-E44 HydrophobicContact CD2-CG 4.35Å; L40-E44 HydrophobicContact CG-CG 4.49Å; E44-E47 PolarHBondContact O-N 3.42Å; E44-R48 VanDerWaalsContact O-CG 3.31Å; E44-R48 WeakPolarHBondContact O-CG 3.3Å; E44-R48 PolarHBondContact O-N 3.23Å; E44-R48 IonicContact OE1-CZ 3.64Å; E44-R48 IonicContact OE1-NE 3.92Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 3.61Å; E44-R48 PolarHBondContact OE1-NH2 3.07Å
45A97.3Very high96.1Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-62.5-44175.400000111.5P37 G41 L42 E43 R48 I49 L87P37-A45 HydrophobicContact CB-CB 4.18Å; G41-A45 WeakPolarHBondContact O-CB 3.42Å; G41-A45 PolarHBondContact O-N 3.21Å; L42-A45 PolarHBondContact O-N 2.83Å; E43-A45 PolarHBondContact O-N 2.65Å; A45-R48 PolarHBondContact O-N 2.62Å; A45-I49 WeakPolarHBondContact O-CD1 3.15Å; A45-I49 VanDerWaalsContact O-CG1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 2.87Å; A45-I49 VanDerWaalsContact O-N 3.1Å; A45-L87 HydrophobicContact CB-CD1 4.03Å
46A98.1Very high96.3Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-62.7-44.6176.900000112L42 E43 R48 I49 L50 L87 A90 I91L42-A46 WeakPolarHBondContact O-CB 3.33Å; L42-A46 PolarHBondContact O-N 3Å; E43-A46 PolarHBondContact O-N 2.64Å; A46-R48 PolarHBondContact O-N 2.99Å; A46-I49 PolarHBondContact O-N 3.41Å; A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 3.09Å; A46-L87 HydrophobicContact CB-CD1 4.27Å; A46-A90 HydrophobicContact CB-CB 3.9Å; A46-I91 HydrophobicContact CB-CG1 3.82Å
47E98.1Very high96.5Very high104 Ų10448.1 Ų48.149%0.48624%0.236SC..Hα-helixtrans-60.4-44.5177.7-175.3173.3176.900111.8E43 E44 I49 L50 N51E43-E47 PolarHBondContact O-N 3.37Å; E44-E47 PolarHBondContact O-N 3.42Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.38Å; E47-L50 PolarHBondContact O-N 2.83Å; E47-N51 PolarHBondContact O-N 2.98Å; E47-N51 PolarHBondContact O-ND2 3.49Å
48R98Very high96.7Very high49 Ų4951.1 Ų51.119%0.18525%0.25CS..Hα-helixtrans-62.6-38.9177-70.9177.4-174.2-165.35.2112.9P33 P34 T35 E44 A45 A46 N51 L52P33-R48 HydrophobicContact CG-CG 4.03Å; P34-R48 WeakPolarHBondContact O-CD 3.48Å; P34-R48 PolarHBondContact O-NH1 3.16Å; T35-R48 HydrophobicContact CG2-CB 3.79Å; E44-R48 VanDerWaalsContact O-CG 3.31Å; E44-R48 WeakPolarHBondContact O-CG 3.3Å; E44-R48 PolarHBondContact O-N 3.23Å; E44-R48 IonicContact OE1-CZ 3.64Å; E44-R48 IonicContact OE1-NE 3.92Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 3.61Å; E44-R48 PolarHBondContact OE1-NH2 3.07Å; A45-R48 PolarHBondContact O-N 2.62Å; A46-R48 PolarHBondContact O-N 2.99Å; R48-N51 PolarHBondContact O-N 3.3Å; R48-L52 WeakPolarHBondContact O-CG 3.38Å; R48-L52 PolarHBondContact O-N 2.96Å
49I98.4Very high97Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-63.5-44.4174.9-69.8167000110.4I8 T35 A45 A46 E47 N51 L52 V53 L73 L75 L87 I91I8-I49 HydrophobicContact CD1-CG2 3.73Å; T35-I49 HydrophobicContact CG2-CG1 4.07Å; A45-I49 WeakPolarHBondContact O-CD1 3.15Å; A45-I49 VanDerWaalsContact O-CG1 3.25Å; A45-I49 WeakPolarHBondContact O-CG1 3.37Å; A45-I49 PolarHBondContact O-N 2.87Å; A45-I49 VanDerWaalsContact O-N 3.1Å; A46-I49 PolarHBondContact O-N 3.41Å; E47-I49 VanDerWaalsContact C-N 3.34Å; E47-I49 PolarHBondContact O-N 3.38Å; I49-N51 VanDerWaalsContact C-N 3.33Å; I49-N51 PolarHBondContact O-N 2.94Å; I49-L52 WeakPolarHBondContact O-CB 3.39Å; I49-L52 PolarHBondContact O-N 2.95Å; I49-V53 WeakPolarHBondContact O-CG2 3.16Å; I49-V53 PolarHBondContact O-N 3.42Å; I49-V53 VanDerWaalsContact O-N 3.12Å; I49-L73 HydrophobicContact CD1-CD1 4.45Å; I49-L73 HydrophobicContact CG2-CD2 4.04Å; I49-L75 HydrophobicContact CD1-CD1 3.72Å; I49-L87 HydrophobicContact CD1-CD1 4.33Å; I49-L87 HydrophobicContact CD1-CD2 4.11Å; I49-L87 HydrophobicContact CD1-CG 4.42Å; I49-I91 HydrophobicContact CD1-CD1 3.85Å; I49-I91 HydrophobicContact CD1-CG1 4.49Å; I49-I91 HydrophobicContact CG2-CD1 4.02Å; I49-I91 HydrophobicContact CG2-CG1 4.44Å
50L98.5Very high97.4Very high28 Ų2844.2 Ų44.215%0.14723%0.228CC..Hα-helixtrans-65-37.2178.2-68.9175.5000112.4A46 E47 V53 K54 I91 H94 C95 V98A46-L50 WeakPolarHBondContact O-CG 3.36Å; A46-L50 PolarHBondContact O-N 3.09Å; E47-L50 PolarHBondContact O-N 2.83Å; L50-V53 PolarHBondContact O-N 3.19Å; L50-K54 WeakPolarHBondContact O-CB 3.49Å; L50-K54 PolarHBondContact O-N 3.28Å; L50-I91 HydrophobicContact CD2-CG2 3.95Å; L50-H94 HydrophobicContact CD1-CB 3.46Å; L50-H94 VanDerWaalsContact CD1-CB 3.46Å; L50-C95 HydrophobicContact CD1-CB 3.92Å; L50-C95 HydrophobicContact CD2-CB 3.6Å; L50-C95 HydrophobicContact CG-CB 4.42Å; L50-V98 HydrophobicContact CD2-CB 4Å; L50-V98 HydrophobicContact CD2-CG1 4.36Å; L50-V98 HydrophobicContact CD2-CG2 3.71Å
51N98.4Very high97.7Very high70 Ų7049.4 Ų49.437%0.37426%0.256SS..Hα-helixtrans-63.7-42.1173.8-72.5-29.4000111.7E47 R48 I49 V53 K54 D55E47-N51 PolarHBondContact O-N 2.98Å; E47-N51 PolarHBondContact O-ND2 3.49Å; R48-N51 PolarHBondContact O-N 3.3Å; I49-N51 VanDerWaalsContact C-N 3.33Å; I49-N51 PolarHBondContact O-N 2.94Å; N51-V53 VanDerWaalsContact C-N 3.31Å; N51-V53 PolarHBondContact O-N 3.35Å; N51-K54 WeakPolarHBondContact O-CB 3.21Å; N51-K54 PolarHBondContact O-N 2.96Å; N51-D55 WeakPolarHBondContact O-CB 3.09Å; N51-D55 PolarHBondContact O-N 3.23Å
52L98.5Very high97.8Very high3 Ų350.8 Ų50.82%0.01625%0.25CS..Hα-helixtrans-57.9-42.9173.5-73.9167.2000112.3I8 M17 S30 T35 R48 I49 D55 V56I8-L52 HydrophobicContact CD1-CB 4.24Å; I8-L52 HydrophobicContact CD1-CD1 4.4Å; I8-L52 HydrophobicContact CG2-CD1 3.95Å; M17-L52 HydrophobicContact CB-CB 4.26Å; M17-L52 HydrophobicContact SD-CB 4.12Å; M17-L52 VanDerWaalsContact SD-O 3.38Å; S30-L52 PolarHBondContact OG-O 3.41Å; T35-L52 HydrophobicContact CG2-CD1 4.49Å; R48-L52 WeakPolarHBondContact O-CG 3.38Å; R48-L52 PolarHBondContact O-N 2.96Å; I49-L52 WeakPolarHBondContact O-CB 3.39Å; I49-L52 PolarHBondContact O-N 2.95Å; L52-D55 PolarHBondContact O-N 3.48Å; L52-V56 PolarHBondContact O-N 3.33Å
53V98.7Very high97.9Very high5 Ų554.3 Ų54.33%0.0327%0.265CS..Hα-helixtrans-63.3-46.1176.9177.30000111I8 M17 I49 L50 N51 D55 V56 L57 L68 L71 V98I8-V53 HydrophobicContact CD1-CG2 4.17Å; M17-V53 HydrophobicContact CE-CB 4.24Å; M17-V53 HydrophobicContact CE-CG1 4.41Å; M17-V53 HydrophobicContact CE-CG2 3.74Å; M17-V53 WeakPolarHBondContact SD-CA 3.17Å; M17-V53 HydrophobicContact SD-CB 4.26Å; M17-V53 HydrophobicContact SD-CG2 3.88Å; I49-V53 WeakPolarHBondContact O-CG2 3.16Å; I49-V53 PolarHBondContact O-N 3.42Å; I49-V53 VanDerWaalsContact O-N 3.12Å; L50-V53 PolarHBondContact O-N 3.19Å; N51-V53 VanDerWaalsContact C-N 3.31Å; N51-V53 PolarHBondContact O-N 3.35Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.15Å; V53-V56 WeakPolarHBondContact O-CG1 3.45Å; V53-V56 PolarHBondContact O-N 3.15Å; V53-L57 HydrophobicContact CG1-CD1 4.03Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 3.42Å; V53-L68 HydrophobicContact CG1-CD1 4.05Å; V53-L71 HydrophobicContact CG2-CD1 4.4Å; V53-L71 HydrophobicContact CG2-CD2 4.23Å; V53-V98 HydrophobicContact CB-CG2 4.23Å; V53-V98 HydrophobicContact CG1-CG2 3.81Å; V53-V98 HydrophobicContact CG2-CG2 4.06Å
54K98.4Very high97.8Very high102 Ų10252.7 Ų52.744%0.44326%0.262SS..Hα-helixtrans-59-46.5176.9-171.8-171.1174.9-176.90111.3L50 N51 L57 I58 P64L50-K54 WeakPolarHBondContact O-CB 3.49Å; L50-K54 PolarHBondContact O-N 3.28Å; N51-K54 WeakPolarHBondContact O-CB 3.21Å; N51-K54 PolarHBondContact O-N 2.96Å; K54-L57 PolarHBondContact O-N 3Å; K54-I58 HydrophobicContact CG-CD1 4.07Å; K54-I58 WeakPolarHBondContact O-CG1 3.37Å; K54-I58 PolarHBondContact O-N 2.71Å; K54-P64 HydrophobicContact CG-CB 3.75Å
55D98.6Very high97.7Very high65 Ų6555 Ų5535%0.34828%0.281SS..Hα-helixtrans-67.6-41.3-176.9-68.6-16.2000111.7N51 L52 V53 L57 I58 N59N51-D55 WeakPolarHBondContact O-CB 3.09Å; N51-D55 PolarHBondContact O-N 3.23Å; L52-D55 PolarHBondContact O-N 3.48Å; V53-D55 VanDerWaalsContact C-N 3.33Å; V53-D55 PolarHBondContact O-N 3.15Å; D55-L57 VanDerWaalsContact C-N 3.3Å; D55-L57 PolarHBondContact O-N 2.98Å; D55-I58 PolarHBondContact O-N 2.78Å; D55-N59 VanDerWaalsContact O-CB 3.31Å; D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 PolarHBondContact O-N 2.83Å; D55-N59 PolarHBondContact O-ND2 3.08Å; D55-N59 PolarHBondContact O-OD1 2.99Å
56V98.5Very high97.7Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-65.9-34.6178.283.80000112M17 L19 G28 L52 V53 S60M17-V56 HydrophobicContact CE-CB 4.5Å; M17-V56 HydrophobicContact CE-CG1 3.46Å; M17-V56 VanDerWaalsContact CE-CG1 3.46Å; M17-V56 HydrophobicContact CG-CB 4.3Å; M17-V56 HydrophobicContact CG-CG1 4.19Å; M17-V56 HydrophobicContact CG-CG2 4.49Å; M17-V56 HydrophobicContact SD-CB 3.98Å; M17-V56 HydrophobicContact SD-CG1 3.48Å; M17-V56 WeakPolarHBondContact SD-CG1 3.44Å; L19-V56 HydrophobicContact CB-CG1 4.26Å; L19-V56 HydrophobicContact CB-CG2 3.74Å; G28-V56 VanDerWaalsContact C-CG2 3.5Å; L52-V56 PolarHBondContact O-N 3.33Å; V53-V56 WeakPolarHBondContact O-CG1 3.45Å; V53-V56 PolarHBondContact O-N 3.15Å; V56-S60 WeakPolarHBondContact O-CB 3.49Å; V56-S60 PolarHBondContact O-N 3.14Å; V56-S60 VanDerWaalsContact O-N 3.11Å; V56-S60 PolarHBondContact O-OG 2.84Å
57L98.5Very high97.7Very high1 Ų159.2 Ų59.21%0.00530%0.304CS..Hα-helixtrans-67.1-46.5175.4-71.6169.7000110.5L19 V53 K54 D55 N59 S60 N61 R62 E66 L68L19-L57 HydrophobicContact CD2-CD2 4.35Å; V53-L57 HydrophobicContact CG1-CD1 4.03Å; V53-L57 VanDerWaalsContact O-CG 3.29Å; V53-L57 WeakPolarHBondContact O-CG 3.35Å; V53-L57 PolarHBondContact O-N 3.42Å; K54-L57 PolarHBondContact O-N 3Å; D55-L57 VanDerWaalsContact C-N 3.3Å; D55-L57 PolarHBondContact O-N 2.98Å; L57-N59 PolarHBondContact O-N 2.88Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 PolarHBondContact O-N 3.34Å; L57-S60 PolarHBondContact O-OG 3.24Å; L57-S60 VanDerWaalsContact O-OG 3.11Å; L57-N61 PolarHBondContact O-N 3.1Å; L57-R62 HydrophobicContact CB-CB 4.17Å; L57-R62 HydrophobicContact CD2-CB 3.93Å; L57-R62 WeakPolarHBondContact O-CA 3.34Å; L57-R62 VanDerWaalsContact O-CB 3.31Å; L57-R62 WeakPolarHBondContact O-CB 3.29Å; L57-R62 PolarHBondContact O-N 2.99Å; L57-E66 HydrophobicContact CD1-CB 4.44Å; L57-E66 WeakPolarHBondContact CD1-O 3.36Å; L57-E66 HydrophobicContact CD2-CB 4.18Å; L57-L68 HydrophobicContact CD2-CD2 4.17Å
58I98.1Very high97.7Very high77 Ų7754.3 Ų54.340%0.39528%0.281SS..Hα-helixtrans-59.7-49.2175.5-68.9166.3000110.8K54 D55 S60 N61 P64K54-I58 HydrophobicContact CG-CD1 4.07Å; K54-I58 WeakPolarHBondContact O-CG1 3.37Å; K54-I58 PolarHBondContact O-N 2.71Å; D55-I58 PolarHBondContact O-N 2.78Å; I58-S60 PolarHBondContact O-N 3.23Å; I58-S60 VanDerWaalsContact O-N 3.14Å; I58-N61 PolarHBondContact O-N 2.99Å; I58-P64 HydrophobicContact CD1-CB 4.23Å; I58-P64 HydrophobicContact CD1-CG 4.04Å; I58-P64 HydrophobicContact CG1-CB 4.09Å; I58-P64 HydrophobicContact CG1-CG 3.72Å
59N97.7Very high97.7Very high99 Ų9952.2 Ų52.253%0.52927%0.274SS..Hα-helixtrans-63.5-20.8-178.7-68.6-11.6000113.2Y29 D55 L57Y29-N59 PolarHBondContact O-ND2 2.84Å; D55-N59 VanDerWaalsContact O-CB 3.31Å; D55-N59 WeakPolarHBondContact O-CB 3.47Å; D55-N59 PolarHBondContact O-N 2.83Å; D55-N59 PolarHBondContact O-ND2 3.08Å; D55-N59 PolarHBondContact O-OD1 2.99Å; L57-N59 PolarHBondContact O-N 2.88Å
60S96.7Very high97.6Very high20 Ų2053.5 Ų53.514%0.1428%0.279CS..THydrogen-bonded Turntrans-100.316.4176580000113.6L19 L27 V56 L57 I58 R62L19-S60 WeakPolarHBondContact CD2-OG 3.41Å; L27-S60 WeakPolarHBondContact O-CB 3.47Å; V56-S60 WeakPolarHBondContact O-CB 3.49Å; V56-S60 PolarHBondContact O-N 3.14Å; V56-S60 VanDerWaalsContact O-N 3.11Å; V56-S60 PolarHBondContact O-OG 2.84Å; L57-S60 CarbonylContact O-C 3.58Å; L57-S60 PolarHBondContact O-N 3.34Å; L57-S60 PolarHBondContact O-OG 3.24Å; L57-S60 VanDerWaalsContact O-OG 3.11Å; I58-S60 PolarHBondContact O-N 3.23Å; I58-S60 VanDerWaalsContact O-N 3.14Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.16Å; S60-R62 WeakPolarHBondContact OG-CD 3.41Å
61N96.9Very high97.6Very high161 Ų16152.1 Ų52.186%0.86127%0.272SS*.THydrogen-bonded Turntrans58.336.2-179-57.8-66.5000113.6L57 I58L57-N61 PolarHBondContact O-N 3.1Å; I58-N61 PolarHBondContact O-N 2.99Å
62R97Very high97.6Very high64 Ų6448.8 Ų48.824%0.24225%0.254CS..  trans-108.4166.7178.6-65.2-179172.3-74.6-6.7111.7L57 S60 E66L57-R62 HydrophobicContact CB-CB 4.17Å; L57-R62 HydrophobicContact CD2-CB 3.93Å; L57-R62 WeakPolarHBondContact O-CA 3.34Å; L57-R62 VanDerWaalsContact O-CB 3.31Å; L57-R62 WeakPolarHBondContact O-CB 3.29Å; L57-R62 PolarHBondContact O-N 2.99Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.16Å; S60-R62 WeakPolarHBondContact OG-CD 3.41Å; R62-E66 WeakPolarHBondContact CB-OE2 3.31Å; R62-E66 WeakPolarHBondContact CD-OE2 3.38Å; R62-E66 WeakPolarHBondContact CG-OE2 3.32Å; R62-E66 IonicContact NH1-OE1 2.73Å; R62-E66 PolarHBondContact NH1-OE1 3.37Å; R62-E66 VanDerWaalsContact NH1-OE1 3.15Å; R62-E66 IonicContact NH1-OE2 3.63Å; R62-E66 PolarHBondContact NH1-OE2 2.66Å
63Q96.4Very high97.6Very high133 Ų13348.7 Ų48.762%0.62125%0.253SS*.  trans-69132.1173.4-65.6-58-50.500109.3T65 E66Q63-T65 PolarHBondContact O-N 3.3Å; Q63-E66 HydrophobicContact CB-CB 4.36Å; Q63-E66 WeakPolarHBondContact O-CB 3.48Å; Q63-E66 PolarHBondContact O-N 2.83Å
64P95.8Very high97.5Very high51 Ų5148.5 Ų48.533%0.33125%0.252SS..THydrogen-bonded Turntrans-62-12.9-179.1-1625.1000114.1K54 I58K54-P64 HydrophobicContact CG-CB 3.75Å; I58-P64 HydrophobicContact CD1-CB 4.23Å; I58-P64 HydrophobicContact CD1-CG 4.04Å; I58-P64 HydrophobicContact CG1-CB 4.09Å; I58-P64 HydrophobicContact CG1-CG 3.72Å
65T95.3Very high97.5Very high122 Ų12243.6 Ų43.675%0.74823%0.231SC*.THydrogen-bonded Turntrans-109.410.9178.461.80000112.9Q63 T67Q63-T65 PolarHBondContact O-N 3.3Å; T65-T67 PolarHBondContact O-N 3.03Å
66E97Very high97.2Very high46 Ų4641.9 Ų41.922%0.21522%0.224CC..PPolyproline II helixtrans-65.4122.8176-173.1171.8-175.700109.8L4 L57 R62 Q63 L68L4-E66 HydrophobicContact CD1-CG 4.22Å; L4-E66 WeakPolarHBondContact CD1-OE1 3.49Å; L57-E66 HydrophobicContact CD1-CB 4.44Å; L57-E66 WeakPolarHBondContact CD1-O 3.36Å; L57-E66 HydrophobicContact CD2-CB 4.18Å; R62-E66 WeakPolarHBondContact CB-OE2 3.31Å; R62-E66 WeakPolarHBondContact CD-OE2 3.38Å; R62-E66 WeakPolarHBondContact CG-OE2 3.32Å; R62-E66 IonicContact NH1-OE1 2.73Å; R62-E66 PolarHBondContact NH1-OE1 3.37Å; R62-E66 VanDerWaalsContact NH1-OE1 3.15Å; R62-E66 IonicContact NH1-OE2 3.63Å; R62-E66 PolarHBondContact NH1-OE2 2.66Å; Q63-E66 HydrophobicContact CB-CB 4.36Å; Q63-E66 WeakPolarHBondContact O-CB 3.48Å; Q63-E66 PolarHBondContact O-N 2.83Å; E66-L68 PolarHBondContact O-N 3.14Å
67T97.8Very high96.8Very high44 Ų4441.9 Ų41.927%0.2722%0.224SC..PPolyproline II helixtrans-70.8127179.3-61.20000111.1T65 N97 Q100T65-T67 PolarHBondContact O-N 3.03Å; T67-N97 WeakPolarHBondContact CA-O 3.46Å; T67-N97 VanDerWaalsContact CB-O 3.26Å; T67-N97 WeakPolarHBondContact CB-O 3.39Å; T67-N97 WeakPolarHBondContact CG2-O 3.47Å; T67-N97 PolarHBondContact OG1-O 3.09Å; T67-Q100 HydrophobicContact CG2-CG 4.05Å
68L98.2Very high96.6Very high0 Ų041.9 Ų41.90%023%0.225CC..EExtended strand (participates in β ladder)trans-72.9145.5172.9-55.1-179.8000110.9L4 M17 L19 V53 L57 E66 R70 L71 V98 A99 Q100L4-L68 HydrophobicContact CB-CD2 3.96Å; L4-L68 HydrophobicContact CD1-CD2 4.36Å; M17-L68 HydrophobicContact CE-CD1 3.96Å; L19-L68 HydrophobicContact CD1-CD2 3.6Å; V53-L68 HydrophobicContact CG1-CD1 4.05Å; L57-L68 HydrophobicContact CD2-CD2 4.17Å; E66-L68 PolarHBondContact O-N 3.14Å; L68-R70 VanDerWaalsContact C-N 3.31Å; L68-L71 HydrophobicContact CD1-CB 4.38Å; L68-L71 HydrophobicContact CD1-CD1 4.09Å; L68-V98 PolarHBondContact N-O 3.33Å; L68-A99 HydrophobicContact CB-CB 3.96Å; L68-A99 CarbonylContact O-C 3.55Å; L68-A99 WeakPolarHBondContact O-CA 3.46Å; L68-Q100 PolarHBondContact O-N 3.43Å
69A97.4Very high96.1Very high5 Ų540.4 Ų40.44%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-69.8-37.1171.200000110.5F3 L4F3-A69 HydrophobicContact CD1-CB 4.22Å; F3-A69 HydrophobicContact CD2-CB 3.79Å; F3-A69 HydrophobicContact CE1-CB 4.18Å; F3-A69 HydrophobicContact CE2-CB 3.76Å; F3-A69 HydrophobicContact CG-CB 4.03Å; F3-A69 HydrophobicContact CZ-CB 3.97Å; L4-A69 WeakPolarHBondContact O-CB 3.25Å; L4-A69 PolarHBondContact O-N 3.26Å
70R97.7Very high95.8Very high27 Ų2739.2 Ų39.210%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-143.3141.4-177.4-59.8-67.6-176.7-115.918.9110.4F3 L4 I5 G6 L68 E101 S316 V317 D320F3-R70 HydrophobicContact CE1-CG 4.13Å; F3-R70 HydrophobicContact CZ-CG 3.96Å; L4-R70 PolarHBondContact O-N 3.28Å; I5-R70 WeakPolarHBondContact CA-O 3.43Å; I5-R70 HydrophobicContact CB-CB 4.47Å; I5-R70 HydrophobicContact CG1-CB 4.32Å; I5-R70 HydrophobicContact CG2-CB 4.07Å; G6-R70 PolarHBondContact N-O 3.34Å; L68-R70 VanDerWaalsContact C-N 3.31Å; R70-E101 IonicContact CZ-OE1 3.07Å; R70-E101 IonicContact CZ-OE2 3.59Å; R70-E101 IonicContact NE-OE2 3.14Å; R70-E101 IonicContact NH1-OE1 2.62Å; R70-E101 PolarHBondContact NH1-OE1 3.35Å; R70-E101 IonicContact NH1-OE2 3.67Å; R70-E101 VanDerWaalsContact NH2-CD 3.31Å; R70-E101 IonicContact NH2-OE1 2.68Å; R70-E101 PolarHBondContact NH2-OE1 3.49Å; R70-E101 IonicContact NH2-OE2 3.63Å; R70-E101 PolarHBondContact NH2-OE2 3.45Å; R70-S316 WeakPolarHBondContact CB-OG 3.45Å; R70-S316 VanDerWaalsContact CD-O 3.31Å; R70-S316 WeakPolarHBondContact CD-O 3.49Å; R70-V317 HydrophobicContact CB-CG1 4.31Å; R70-V317 HydrophobicContact CG-CG1 3.72Å; R70-D320 IonicContact NH2-OD2 3.34Å
71L98.4Very high95.5Very high0 Ų045.2 Ų45.20%024%0.24CC..EExtended strand (participates in β ladder)trans-133.8116.9171.517861.1000109.8G6 I8 M17 V53 L68 L73 V98 A99 E101 I102 H103G6-L71 CarbonylContact O-C 3.53Å; G6-L71 WeakPolarHBondContact O-CA 3.39Å; I8-L71 HydrophobicContact CD1-CD1 4.14Å; I8-L71 HydrophobicContact CG1-CD1 4.36Å; M17-L71 HydrophobicContact CE-CD1 4.08Å; V53-L71 HydrophobicContact CG2-CD1 4.4Å; V53-L71 HydrophobicContact CG2-CD2 4.23Å; L68-L71 HydrophobicContact CD1-CB 4.38Å; L68-L71 HydrophobicContact CD1-CD1 4.09Å; L71-L73 HydrophobicContact CD1-CD2 4.12Å; L71-L73 HydrophobicContact CD2-CD2 4.2Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.45Å; L71-V98 HydrophobicContact CD2-CG2 4.44Å; L71-A99 HydrophobicContact CB-CB 3.61Å; L71-A99 HydrophobicContact CD2-CB 4.48Å; L71-E101 PolarHBondContact N-O 3.15Å; L71-I102 HydrophobicContact CB-CG1 4.35Å; L71-I102 HydrophobicContact CD2-CG1 4.44Å; L71-I102 CarbonylContact O-C 3.58Å; L71-I102 VanDerWaalsContact O-CA 3.28Å; L71-I102 WeakPolarHBondContact O-CA 3.39Å; L71-H103 PolarHBondContact O-N 2.85Å
72G98.3Very high95.4Very high0 Ų040.5 Ų40.50%022%0.223CC..EExtended strand (participates in β ladder)trans-101.9135.3174.300000112.1G6 G7 I8 H103 A312G6-G72 PolarHBondContact O-N 3.42Å; G7-G72 CarbonylContact C-O 3.48Å; G7-G72 WeakPolarHBondContact CA-O 3.28Å; I8-G72 PolarHBondContact N-O 3.2Å; G72-H103 CarbonylContact C-O 3.52Å; G72-H103 WeakPolarHBondContact CA-O 3.39Å; G72-A312 WeakPolarHBondContact CA-O 3.34Å
73L98.4Very high95.2Very high0 Ų038 Ų380%022%0.215CC..EExtended strand (participates in β ladder)trans-122121.7-179.5-53.1178.7000109I8 I49 L71 L75 I91 I102 H103 I104 C105I8-L73 HydrophobicContact CB-CD2 3.83Å; I8-L73 HydrophobicContact CD1-CD2 3.77Å; I8-L73 HydrophobicContact CG1-CD2 4.14Å; I49-L73 HydrophobicContact CD1-CD1 4.45Å; I49-L73 HydrophobicContact CG2-CD2 4.04Å; L71-L73 HydrophobicContact CD1-CD2 4.12Å; L71-L73 HydrophobicContact CD2-CD2 4.2Å; L71-L73 HydrophobicContact CG-CD2 3.93Å; L71-L73 HydrophobicContact CG-CG 4.45Å; L73-L75 HydrophobicContact CB-CD1 4.14Å; L73-L75 HydrophobicContact CB-CG 4.12Å; L73-I91 HydrophobicContact CD1-CD1 3.64Å; L73-I102 HydrophobicContact CD1-CG2 3.83Å; L73-I102 HydrophobicContact CG-CG2 4.21Å; L73-H103 PolarHBondContact N-O 3.21Å; L73-I104 HydrophobicContact CB-CB 4Å; L73-I104 HydrophobicContact CB-CD1 4.25Å; L73-I104 HydrophobicContact CB-CG1 3.84Å; L73-I104 HydrophobicContact CD1-CB 4.35Å; L73-I104 HydrophobicContact CD1-CD1 4.16Å; L73-I104 HydrophobicContact CD1-CG1 4.45Å; L73-I104 CarbonylContact O-C 3.58Å; L73-I104 VanDerWaalsContact O-CA 3.32Å; L73-I104 WeakPolarHBondContact O-CA 3.29Å; L73-C105 PolarHBondContact O-N 3.2Å; L73-C105 PolarHBondContact O-SG 3.2Å; L73-C105 VanDerWaalsContact O-SG 3.37Å
74S97.3Very high95.2Very high1 Ų133.4 Ų33.41%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-119.690.3176.1178.60000108.7I8 E9 G10 N106 D107 G110I8-S74 PolarHBondContact O-N 2.89Å; E9-S74 WeakPolarHBondContact CA-O 3.43Å; G10-S74 PolarHBondContact N-O 3.41Å; S74-N106 PolarHBondContact OG-O 2.97Å; S74-D107 WeakPolarHBondContact OG-CA 3.33Å; S74-D107 PolarHBondContact OG-O 3.27Å; S74-G110 VanDerWaalsContact OG-CA 3.24Å; S74-G110 WeakPolarHBondContact OG-CA 3.3Å; S74-G110 PolarHBondContact OG-N 2.87Å
75L96.5Very high95.3Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-120.6137.1-163.9-54.5179.4000112.2I8 G10 I49 L73 G77 A78 L87 I104 C105 N106 D107I8-L75 HydrophobicContact CG2-CD2 4.07Å; G10-L75 CarbonylContact O-C 3.42Å; G10-L75 WeakPolarHBondContact O-CA 3.47Å; I49-L75 HydrophobicContact CD1-CD1 3.72Å; L73-L75 HydrophobicContact CB-CD1 4.14Å; L73-L75 HydrophobicContact CB-CG 4.12Å; L75-G77 PolarHBondContact O-N 3.23Å; L75-A78 HydrophobicContact CB-CB 4.11Å; L75-A78 PolarHBondContact O-N 3Å; L75-L87 HydrophobicContact CD1-CD2 3.64Å; L75-I104 HydrophobicContact CD1-CD1 4.1Å; L75-C105 PolarHBondContact N-O 3.32Å; L75-N106 WeakPolarHBondContact O-CA 3.35Å; L75-D107 PolarHBondContact O-N 3.15Å
76S93.1Very high95.4Very high28 Ų2834 Ų3420%0.19619%0.185CC..THydrogen-bonded Turntrans-65133164.3-166.50000109.4G10 N36 P37 D107G10-S76 PolarHBondContact O-N 3.4Å; N36-S76 WeakPolarHBondContact CA-O 3.32Å; N36-S76 VanDerWaalsContact CG-O 3.28Å; N36-S76 PolarHBondContact ND2-O 2.75Å; N36-S76 PolarHBondContact ND2-OG 2.87Å; P37-S76 WeakPolarHBondContact CD-O 3.48Å; S76-D107 WeakPolarHBondContact CA-OD2 3.22Å; S76-D107 VanDerWaalsContact CB-OD2 3.23Å; S76-D107 WeakPolarHBondContact CB-OD2 3.45Å; S76-D107 PolarHBondContact OG-OD2 3.15Å
77G91.1Very high95.4Very high1 Ų131.8 Ų31.81%0.0118%0.175CC..THydrogen-bonded Turntrans90.1-3.6-176.700000115.3W38 L75 D79 N83W38-G77 PolarHBondContact NE1-O 3.09Å; W38-G77 VanDerWaalsContact NE1-O 3.15Å; L75-G77 PolarHBondContact O-N 3.23Å; G77-D79 VanDerWaalsContact C-N 3.26Å; G77-D79 WeakPolarHBondContact CA-OD2 3.3Å; G77-D79 PolarHBondContact O-N 2.88Å; G77-N83 PolarHBondContact O-ND2 3.2Å; G77-N83 VanDerWaalsContact O-ND2 3.14Å
78A92.7Very high95.4Very high1 Ų130.4 Ų30.41%0.00817%0.166CC..  trans-91.552169.900000111.2L75 N83 Q84 I104L75-A78 HydrophobicContact CB-CB 4.11Å; L75-A78 PolarHBondContact O-N 3Å; A78-N83 WeakPolarHBondContact CA-OD1 3.42Å; A78-Q84 HydrophobicContact CB-CG 4Å; A78-Q84 PolarHBondContact O-NE2 2.86Å; A78-I104 HydrophobicContact CB-CD1 3.81Å; A78-I104 HydrophobicContact CB-CG1 3.93Å
79D88.1Confident95.4Very high45 Ų4535.4 Ų35.424%0.24119%0.193CC..  trans-81.2-20.4-168.1-56.3-71.9000115.6W38 G77 N83 R142W38-D79 PolarHBondContact NE1-OD2 2.91Å; G77-D79 VanDerWaalsContact C-N 3.26Å; G77-D79 WeakPolarHBondContact CA-OD2 3.3Å; G77-D79 PolarHBondContact O-N 2.88Å; D79-N83 PolarHBondContact N-ND2 3.49Å; D79-N83 PolarHBondContact N-OD1 3.38Å; D79-N83 VanDerWaalsContact N-OD1 3.16Å; D79-R142 IonicContact OD1-CZ 3.37Å; D79-R142 IonicContact OD1-NH1 2.83Å; D79-R142 PolarHBondContact OD1-NH1 2.96Å; D79-R142 IonicContact OD1-NH2 3.21Å; D79-R142 PolarHBondContact OD1-NH2 3.49Å; D79-R142 VanDerWaalsContact OD1-NH2 3.09Å
80T90.7Very high95.4Very high74 Ų7435.6 Ų35.645%0.45420%0.195SC..SBendtrans-129.6153.1-174.969.40000110.9A82 N83 Q84T80-A82 PolarHBondContact O-N 3.19Å; T80-N83 PolarHBondContact N-ND2 3.18Å; T80-N83 PolarHBondContact N-OD1 2.91Å; T80-N83 PolarHBondContact O-N 3.33Å; T80-N83 PolarHBondContact O-OD1 3.01Å; T80-N83 VanDerWaalsContact OG1-CG 3.31Å; T80-N83 PolarHBondContact OG1-N 3.34Å; T80-N83 PolarHBondContact OG1-ND2 3.4Å; T80-Q84 VanDerWaalsContact O-CB 3.3Å; T80-Q84 WeakPolarHBondContact O-CB 3.34Å; T80-Q84 WeakPolarHBondContact O-CG 3.27Å; T80-Q84 PolarHBondContact O-N 3.07Å
81E92.4Very high95.4Very high147 Ų14734.3 Ų34.369%0.68719%0.19SC*.Hα-helixtrans-57.5-34.7177.2-170.1-179170.900112.1N85E81-N85 VanDerWaalsContact O-CB 3.32Å; E81-N85 WeakPolarHBondContact O-CB 3.37Å; E81-N85 PolarHBondContact O-N 2.93Å; E81-N85 PolarHBondContact O-ND2 3.5Å; E81-N85 VanDerWaalsContact O-ND2 3.13Å
82A94.4Very high95.4Very high62 Ų6238.4 Ų38.451%0.51221%0.208SC..Hα-helixtrans-62.9-51.9176.400000112.4T80 Q84 N85 E86T80-A82 PolarHBondContact O-N 3.19Å; A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 3.34Å; A82-N85 PolarHBondContact O-N 2.76Å; A82-E86 WeakPolarHBondContact O-CG 3.38Å; A82-E86 PolarHBondContact O-N 2.94Å
83N92.7Very high95.3Very high12 Ų1245 Ų456%0.06424%0.236CC..Hα-helixtrans-69.8-31-178.768.822.8000112.5G77 A78 D79 T80 L87G77-N83 PolarHBondContact O-ND2 3.2Å; G77-N83 VanDerWaalsContact O-ND2 3.14Å; A78-N83 WeakPolarHBondContact CA-OD1 3.42Å; D79-N83 PolarHBondContact N-ND2 3.49Å; D79-N83 PolarHBondContact N-OD1 3.38Å; D79-N83 VanDerWaalsContact N-OD1 3.16Å; T80-N83 PolarHBondContact N-ND2 3.18Å; T80-N83 PolarHBondContact N-OD1 2.91Å; T80-N83 PolarHBondContact O-N 3.33Å; T80-N83 PolarHBondContact O-OD1 3.01Å; T80-N83 VanDerWaalsContact OG1-CG 3.31Å; T80-N83 PolarHBondContact OG1-N 3.34Å; T80-N83 PolarHBondContact OG1-ND2 3.4Å; N83-L87 PolarHBondContact O-N 2.97Å; N83-L87 VanDerWaalsContact O-N 3.08Å
84Q96.2Very high95.2Very high36 Ų3649.7 Ų49.717%0.16826%0.258CS..Hα-helixtrans-60.6-50.8171.5-78.8172.71000110.9A78 T80 A82 L87 V88 I104A78-Q84 HydrophobicContact CB-CG 4Å; A78-Q84 PolarHBondContact O-NE2 2.86Å; T80-Q84 VanDerWaalsContact O-CB 3.3Å; T80-Q84 WeakPolarHBondContact O-CB 3.34Å; T80-Q84 WeakPolarHBondContact O-CG 3.27Å; T80-Q84 PolarHBondContact O-N 3.07Å; A82-Q84 VanDerWaalsContact C-N 3.31Å; A82-Q84 PolarHBondContact O-N 3.34Å; Q84-L87 PolarHBondContact O-N 3.27Å; Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 3.47Å; Q84-I104 HydrophobicContact CB-CG2 3.49Å; Q84-I104 VanDerWaalsContact CB-CG2 3.49Å; Q84-I104 HydrophobicContact CG-CD1 4.41Å; Q84-I104 HydrophobicContact CG-CG1 4.12Å; Q84-I104 HydrophobicContact CG-CG2 3.77Å
85N96.9Very high95.3Very high79 Ų7951.9 Ų51.942%0.42227%0.273SS..Hα-helixtrans-64.2-40.9178.8-75-28.4000112.3E81 A82 L87 V88 N89E81-N85 VanDerWaalsContact O-CB 3.32Å; E81-N85 WeakPolarHBondContact O-CB 3.37Å; E81-N85 PolarHBondContact O-N 2.93Å; E81-N85 PolarHBondContact O-ND2 3.5Å; E81-N85 VanDerWaalsContact O-ND2 3.13Å; A82-N85 PolarHBondContact O-N 2.76Å; N85-L87 PolarHBondContact O-N 2.79Å; N85-V88 PolarHBondContact O-N 3.36Å; N85-N89 WeakPolarHBondContact O-CB 3.38Å; N85-N89 PolarHBondContact O-N 3.08Å; N85-N89 PolarHBondContact O-ND2 3.27Å
86E97.2Very high95.3Very high105 Ų10555.9 Ų55.949%0.49130%0.299SS..Hα-helixtrans-58.9-45175-75.6176.8176.300112.1L42 A82 N89 A90L42-E86 HydrophobicContact CD1-CB 3.9Å; L42-E86 HydrophobicContact CD2-CB 4.19Å; A82-E86 WeakPolarHBondContact O-CG 3.38Å; A82-E86 PolarHBondContact O-N 2.94Å; E86-N89 PolarHBondContact O-N 2.96Å; E86-A90 PolarHBondContact O-N 2.99Å
87L97.5Very high95.4Very high1 Ų160.2 Ų60.21%0.00532%0.32CS..Hα-helixtrans-68.1-41.9178.4-176.955.7000112.1L42 A45 A46 I49 L75 N83 Q84 N85 N89 A90 I91 I104L42-L87 HydrophobicContact CD2-CB 4.12Å; L42-L87 HydrophobicContact CD2-CD1 4.43Å; A45-L87 HydrophobicContact CB-CD1 4.03Å; A46-L87 HydrophobicContact CB-CD1 4.27Å; I49-L87 HydrophobicContact CD1-CD1 4.33Å; I49-L87 HydrophobicContact CD1-CD2 4.11Å; I49-L87 HydrophobicContact CD1-CG 4.42Å; L75-L87 HydrophobicContact CD1-CD2 3.64Å; N83-L87 PolarHBondContact O-N 2.97Å; N83-L87 VanDerWaalsContact O-N 3.08Å; Q84-L87 PolarHBondContact O-N 3.27Å; N85-L87 PolarHBondContact O-N 2.79Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 3.44Å; L87-A90 PolarHBondContact O-N 2.94Å; L87-I91 HydrophobicContact CD1-CD1 4.37Å; L87-I91 HydrophobicContact CD1-CG1 4.45Å; L87-I91 HydrophobicContact CG-CD1 4.1Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 3.3Å; L87-I104 HydrophobicContact CB-CD1 4.36Å; L87-I104 HydrophobicContact CD2-CD1 3.75Å; L87-I104 HydrophobicContact CG-CD1 4.31Å
88V97.8Very high95.7Very high14 Ų1460.6 Ų60.69%0.08532%0.322CS..Hα-helixtrans-60.5-41174.7170.90000111.1Q84 N85 I91 K92 I102 I104Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 3.47Å; N85-V88 PolarHBondContact O-N 3.36Å; V88-I91 PolarHBondContact O-N 3.21Å; V88-K92 HydrophobicContact CG1-CD 4.18Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 WeakPolarHBondContact O-CG 3.34Å; V88-K92 PolarHBondContact O-N 3.05Å; V88-I102 HydrophobicContact CG1-CB 4.39Å; V88-I102 HydrophobicContact CG2-CG2 4.04Å; V88-I104 HydrophobicContact CG2-CB 4.28Å; V88-I104 HydrophobicContact CG2-CG2 3.65Å
89N97.7Very high96Very high106 Ų10660.8 Ų60.857%0.56732%0.323SS*.Hα-helixtrans-64.8-41.6176.3-72.9-25.7000111.9N85 E86 L87 K92 K93N85-N89 WeakPolarHBondContact O-CB 3.38Å; N85-N89 PolarHBondContact O-N 3.08Å; N85-N89 PolarHBondContact O-ND2 3.27Å; E86-N89 PolarHBondContact O-N 2.96Å; L87-N89 VanDerWaalsContact C-N 3.29Å; L87-N89 PolarHBondContact O-N 3.44Å; N89-K92 PolarHBondContact O-N 3.46Å; N89-K93 VanDerWaalsContact O-CB 3.27Å; N89-K93 WeakPolarHBondContact O-CB 3.37Å; N89-K93 PolarHBondContact O-N 3.35Å
90A97.8Very high96.4Very high8 Ų864.1 Ų64.17%0.06634%0.337CS..Hα-helixtrans-62.1-44.5175.200000112A46 E86 L87 K92 K93 H94A46-A90 HydrophobicContact CB-CB 3.9Å; E86-A90 PolarHBondContact O-N 2.99Å; L87-A90 PolarHBondContact O-N 2.94Å; A90-K92 PolarHBondContact O-N 2.88Å; A90-K93 PolarHBondContact O-N 2.93Å; A90-H94 PolarHBondContact O-CD2 2.94Å; A90-H94 PolarHBondContact O-N 3.1Å
91I98.3Very high96.7Very high0 Ų064.2 Ų64.20%033%0.333CS..Hα-helixtrans-59.1-49.6175.3-67.7162.3000110.7A46 I49 L50 L73 L87 V88 K93 H94 C95 V98 I102A46-I91 HydrophobicContact CB-CG1 3.82Å; I49-I91 HydrophobicContact CD1-CD1 3.85Å; I49-I91 HydrophobicContact CD1-CG1 4.49Å; I49-I91 HydrophobicContact CG2-CD1 4.02Å; I49-I91 HydrophobicContact CG2-CG1 4.44Å; L50-I91 HydrophobicContact CD2-CG2 3.95Å; L73-I91 HydrophobicContact CD1-CD1 3.64Å; L87-I91 HydrophobicContact CD1-CD1 4.37Å; L87-I91 HydrophobicContact CD1-CG1 4.45Å; L87-I91 HydrophobicContact CG-CD1 4.1Å; L87-I91 VanDerWaalsContact O-CG1 3.29Å; L87-I91 WeakPolarHBondContact O-CG1 3.44Å; L87-I91 PolarHBondContact O-N 3.3Å; V88-I91 PolarHBondContact O-N 3.21Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.44Å; I91-H94 PolarHBondContact O-N 3.12Å; I91-C95 PolarHBondContact O-N 2.96Å; I91-V98 HydrophobicContact CG2-CG1 3.9Å; I91-I102 HydrophobicContact CG2-CD1 4.01Å
92K97.9Very high96.9Very high86 Ų8658.2 Ų58.237%0.37431%0.305SS..Hα-helixtrans-68-30.5-178.9-75.4-176174.2-178.20113.2V88 N89 A90 H94 C95 P96 I102V88-K92 HydrophobicContact CG1-CD 4.18Å; V88-K92 WeakPolarHBondContact O-CB 3.42Å; V88-K92 WeakPolarHBondContact O-CG 3.34Å; V88-K92 PolarHBondContact O-N 3.05Å; N89-K92 PolarHBondContact O-N 3.46Å; A90-K92 PolarHBondContact O-N 2.88Å; K92-H94 VanDerWaalsContact C-N 3.33Å; K92-C95 CarbonylContact O-C 3.55Å; K92-P96 VanDerWaalsContact O-CA 3.25Å; K92-P96 WeakPolarHBondContact O-CA 3.24Å; K92-P96 VanDerWaalsContact O-CD 3.3Å; K92-P96 WeakPolarHBondContact O-CD 3.38Å; K92-P96 VanDerWaalsContact O-CG 3.26Å; K92-P96 WeakPolarHBondContact O-CG 3.47Å; K92-P96 VanDerWaalsContact O-N 3.13Å; K92-I102 HydrophobicContact CG-CD1 4.08Å
93K97.4Very high97Very high139 Ų13957.4 Ų57.460%0.60429%0.291SS*.Hα-helixtrans-61.8-41.3174174.2-173.6167-164.20111.4E43 N89 A90 I91E43-K93 IonicContact OE1-NZ 3.55Å; E43-K93 PolarHBondContact OE1-NZ 3.2Å; N89-K93 VanDerWaalsContact O-CB 3.27Å; N89-K93 WeakPolarHBondContact O-CB 3.37Å; N89-K93 PolarHBondContact O-N 3.35Å; A90-K93 PolarHBondContact O-N 2.93Å; I91-K93 VanDerWaalsContact C-N 3.33Å; I91-K93 PolarHBondContact O-N 3.44Å
94H96.6Very high97.2Very high98 Ų9857.9 Ų57.945%0.45429%0.293SS..Hα-helixtrans-81.5-39.4179.7-71.7-56.1000113.7E43 L50 A90 I91 K92E43-H94 IonicContact OE2-CD2 2.64Å; E43-H94 IonicContact OE2-CE1 3.28Å; E43-H94 PolarHBondContact OE2-CE1 3.29Å; E43-H94 IonicContact OE2-NE2 4Å; E43-H94 PolarHBondContact OE2-NE2 2.84Å; L50-H94 HydrophobicContact CD1-CB 3.46Å; L50-H94 VanDerWaalsContact CD1-CB 3.46Å; A90-H94 PolarHBondContact O-CD2 2.94Å; A90-H94 PolarHBondContact O-N 3.1Å; I91-H94 PolarHBondContact O-N 3.12Å; K92-H94 VanDerWaalsContact C-N 3.33Å
95C97.6Very high97.2Very high48 Ų4856.6 Ų56.632%0.32429%0.288SS..  trans-140.784.5179.5-167.60000110.9L50 I91 K92 N97 V98L50-C95 HydrophobicContact CD1-CB 3.92Å; L50-C95 HydrophobicContact CD2-CB 3.6Å; L50-C95 HydrophobicContact CG-CB 4.42Å; I91-C95 PolarHBondContact O-N 2.96Å; K92-C95 CarbonylContact O-C 3.55Å; C95-N97 PolarHBondContact O-N 2.79Å; C95-N97 VanDerWaalsContact O-N 3.1Å; C95-V98 HydrophobicContact CB-CB 4.13Å; C95-V98 WeakPolarHBondContact O-CG1 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; C95-V98 VanDerWaalsContact O-N 3.15Å
96P96.7Very high97Very high84 Ų8453 Ų5355%0.54527%0.269SS..THydrogen-bonded Turntrans-57.5-29.5-176.5-25.431.8000114.2K92K92-P96 VanDerWaalsContact O-CA 3.25Å; K92-P96 WeakPolarHBondContact O-CA 3.24Å; K92-P96 VanDerWaalsContact O-CD 3.3Å; K92-P96 WeakPolarHBondContact O-CD 3.38Å; K92-P96 VanDerWaalsContact O-CG 3.26Å; K92-P96 WeakPolarHBondContact O-CG 3.47Å; K92-P96 VanDerWaalsContact O-N 3.13Å
97N96.2Very high96.8Very high119 Ų11949.2 Ų49.264%0.63625%0.252SS*.THydrogen-bonded Turntrans-102.317.3-175.3-61.5-33.3000113T67 C95 A99T67-N97 WeakPolarHBondContact CA-O 3.46Å; T67-N97 VanDerWaalsContact CB-O 3.26Å; T67-N97 WeakPolarHBondContact CB-O 3.39Å; T67-N97 WeakPolarHBondContact CG2-O 3.47Å; T67-N97 PolarHBondContact OG1-O 3.09Å; C95-N97 PolarHBondContact O-N 2.79Å; C95-N97 VanDerWaalsContact O-N 3.1Å; N97-A99 VanDerWaalsContact C-N 3.29Å; N97-A99 PolarHBondContact O-N 2.85Å
98V98Very high96.7Very high8 Ų849.2 Ų49.25%0.04825%0.252CS..SBendtrans-60.1-41.517967.50000111.6L50 V53 L68 L71 I91 C95 I102L50-V98 HydrophobicContact CD2-CB 4Å; L50-V98 HydrophobicContact CD2-CG1 4.36Å; L50-V98 HydrophobicContact CD2-CG2 3.71Å; V53-V98 HydrophobicContact CB-CG2 4.23Å; V53-V98 HydrophobicContact CG1-CG2 3.81Å; V53-V98 HydrophobicContact CG2-CG2 4.06Å; L68-V98 PolarHBondContact N-O 3.33Å; L71-V98 HydrophobicContact CD2-CG2 4.44Å; I91-V98 HydrophobicContact CG2-CG1 3.9Å; C95-V98 HydrophobicContact CB-CB 4.13Å; C95-V98 WeakPolarHBondContact O-CG1 3.33Å; C95-V98 PolarHBondContact O-N 2.92Å; C95-V98 VanDerWaalsContact O-N 3.15Å; V98-I102 HydrophobicContact CG1-CD1 3.86Å
99A97.9Very high96.6Very high5 Ų548.9 Ų48.94%0.04125%0.25CC..EExtended strand (participates in β ladder)trans-152.6149.7176.600000110.6L68 L71 N97 I102L68-A99 HydrophobicContact CB-CB 3.96Å; L68-A99 CarbonylContact O-C 3.55Å; L68-A99 WeakPolarHBondContact O-CA 3.46Å; L71-A99 HydrophobicContact CB-CB 3.61Å; L71-A99 HydrophobicContact CD2-CB 4.48Å; N97-A99 VanDerWaalsContact C-N 3.29Å; N97-A99 PolarHBondContact O-N 2.85Å; A99-I102 HydrophobicContact CB-CG1 4.01Å
100Q96.7Very high96.5Very high115 Ų11543.8 Ų43.854%0.53722%0.223SC..EExtended strand (participates in β ladder)trans-65.9-42.2175.2-60.5173.820.500111.1T67 L68T67-Q100 HydrophobicContact CG2-CG 4.05Å; L68-Q100 PolarHBondContact O-N 3.43Å
101E96.4Very high96.5Very high77 Ų7743.6 Ų43.636%0.3622%0.221SC..EExtended strand (participates in β ladder)trans-132.3137.1176.3-70.9170.4-130.800110.1R70 L71R70-E101 IonicContact CZ-OE1 3.07Å; R70-E101 IonicContact CZ-OE2 3.59Å; R70-E101 IonicContact NE-OE2 3.14Å; R70-E101 IonicContact NH1-OE1 2.62Å; R70-E101 PolarHBondContact NH1-OE1 3.35Å; R70-E101 IonicContact NH1-OE2 3.67Å; R70-E101 VanDerWaalsContact NH2-CD 3.31Å; R70-E101 IonicContact NH2-OE1 2.68Å; R70-E101 PolarHBondContact NH2-OE1 3.49Å; R70-E101 IonicContact NH2-OE2 3.63Å; R70-E101 PolarHBondContact NH2-OE2 3.45Å; L71-E101 PolarHBondContact N-O 3.15Å
102I97.8Very high96.4Very high20 Ų2043.8 Ų43.810%0.10322%0.221CC..EExtended strand (participates in β ladder)trans-122.1121.7178-55.3177.4000107.6L71 L73 V88 I91 K92 V98 A99L71-I102 HydrophobicContact CB-CG1 4.35Å; L71-I102 HydrophobicContact CD2-CG1 4.44Å; L71-I102 CarbonylContact O-C 3.58Å; L71-I102 VanDerWaalsContact O-CA 3.28Å; L71-I102 WeakPolarHBondContact O-CA 3.39Å; L73-I102 HydrophobicContact CD1-CG2 3.83Å; L73-I102 HydrophobicContact CG-CG2 4.21Å; V88-I102 HydrophobicContact CG1-CB 4.39Å; V88-I102 HydrophobicContact CG2-CG2 4.04Å; I91-I102 HydrophobicContact CG2-CD1 4.01Å; K92-I102 HydrophobicContact CG-CD1 4.08Å; V98-I102 HydrophobicContact CG1-CD1 3.86Å; A99-I102 HydrophobicContact CB-CG1 4.01Å
103H96.8Very high96.4Very high46 Ų4640.3 Ų40.321%0.21321%0.207CC..EExtended strand (participates in β ladder)trans-111.4134.8173.3-73.4-154.7000108L71 G72 L73 L315L71-H103 PolarHBondContact O-N 2.85Å; G72-H103 CarbonylContact C-O 3.52Å; G72-H103 WeakPolarHBondContact CA-O 3.39Å; L73-H103 PolarHBondContact N-O 3.21Å; H103-L315 HydrophobicContact CB-CD2 4.1Å; H103-L315 HydrophobicContact CB-CG 4.28Å
104I96.9Very high96.3Very high22 Ų2233.7 Ų33.711%0.11318%0.178CC..EExtended strand (participates in β ladder)trans-129143.5179.4-176.9167.6000109.8L73 L75 A78 Q84 L87 V88L73-I104 HydrophobicContact CB-CB 4Å; L73-I104 HydrophobicContact CB-CD1 4.25Å; L73-I104 HydrophobicContact CB-CG1 3.84Å; L73-I104 HydrophobicContact CD1-CB 4.35Å; L73-I104 HydrophobicContact CD1-CD1 4.16Å; L73-I104 HydrophobicContact CD1-CG1 4.45Å; L73-I104 CarbonylContact O-C 3.58Å; L73-I104 VanDerWaalsContact O-CA 3.32Å; L73-I104 WeakPolarHBondContact O-CA 3.29Å; L75-I104 HydrophobicContact CD1-CD1 4.1Å; A78-I104 HydrophobicContact CB-CD1 3.81Å; A78-I104 HydrophobicContact CB-CG1 3.93Å; Q84-I104 HydrophobicContact CB-CG2 3.49Å; Q84-I104 VanDerWaalsContact CB-CG2 3.49Å; Q84-I104 HydrophobicContact CG-CD1 4.41Å; Q84-I104 HydrophobicContact CG-CG1 4.12Å; Q84-I104 HydrophobicContact CG-CG2 3.77Å; L87-I104 HydrophobicContact CB-CD1 4.36Å; L87-I104 HydrophobicContact CD2-CD1 3.75Å; L87-I104 HydrophobicContact CG-CD1 4.31Å; V88-I104 HydrophobicContact CG2-CB 4.28Å; V88-I104 HydrophobicContact CG2-CG2 3.65Å
105C94.5Very high96.3Very high9 Ų930 Ų306%0.06116%0.163CC..EExtended strand (participates in β ladder)trans-146172.6175.7670000109.6L73 L75 I109 L315L73-C105 PolarHBondContact O-N 3.2Å; L73-C105 PolarHBondContact O-SG 3.2Å; L73-C105 VanDerWaalsContact O-SG 3.37Å; L75-C105 PolarHBondContact N-O 3.32Å; C105-I109 HydrophobicContact CB-CB 3.85Å; C105-I109 HydrophobicContact CB-CG1 4.34Å; C105-I109 HydrophobicContact CB-CG2 4.09Å; C105-L315 HydrophobicContact CB-CD2 3.73Å; C105-L315 VanDerWaalsContact SG-CD2 3.51Å
106N94Very high96.2Very high2 Ų228.2 Ų28.21%0.01115%0.15CC..EExtended strand (participates in β ladder)trans-71.5160.4168.584.7-31.4000111.4S74 L75 S108 I109S74-N106 PolarHBondContact OG-O 2.97Å; L75-N106 WeakPolarHBondContact O-CA 3.35Å; N106-S108 PolarHBondContact ND2-OG 2.88Å; N106-S108 PolarHBondContact O-N 3.13Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; N106-I109 PolarHBondContact O-N 3.41Å; N106-I109 WeakPolarHBondContact OD1-CG1 3.46Å; N106-I109 PolarHBondContact OD1-N 3.31Å
107D93.7Very high95.9Very high27 Ų2729.6 Ų29.614%0.14415%0.153CC..Hα-helixtrans-51.6-27.9179.951.713.2000115.1S74 L75 S76 T111 I124S74-D107 WeakPolarHBondContact OG-CA 3.33Å; S74-D107 PolarHBondContact OG-O 3.27Å; L75-D107 PolarHBondContact O-N 3.15Å; S76-D107 WeakPolarHBondContact CA-OD2 3.22Å; S76-D107 VanDerWaalsContact CB-OD2 3.23Å; S76-D107 WeakPolarHBondContact CB-OD2 3.45Å; S76-D107 PolarHBondContact OG-OD2 3.15Å; D107-T111 WeakPolarHBondContact O-CB 3.38Å; D107-T111 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-OG1 2.82Å; D107-I124 HydrophobicContact CB-CD1 4.16Å
108S94.9Very high95.7Very high1 Ų130.5 Ų30.51%0.00715%0.151CC..Hα-helixtrans-69.4-34.6178.575.70000114.1N106 T111 F112 C132N106-S108 PolarHBondContact ND2-OG 2.88Å; N106-S108 PolarHBondContact O-N 3.13Å; N106-S108 PolarHBondContact OD1-OG 3.21Å; S108-T111 PolarHBondContact O-N 2.7Å; S108-F112 WeakPolarHBondContact O-CB 3.3Å; S108-F112 PolarHBondContact O-N 2.94Å; S108-C132 PolarHBondContact OG-SG 2.78Å
109I95.4Very high95.5Very high6 Ų631.2 Ų31.23%0.03116%0.158CC..Hα-helixtrans-76.6-41.6-175.2-63.8-60.6000111.4C105 N106 T111 F112 L113 V134 F140 L315C105-I109 HydrophobicContact CB-CB 3.85Å; C105-I109 HydrophobicContact CB-CG1 4.34Å; C105-I109 HydrophobicContact CB-CG2 4.09Å; N106-I109 PolarHBondContact O-N 3.41Å; N106-I109 WeakPolarHBondContact OD1-CG1 3.46Å; N106-I109 PolarHBondContact OD1-N 3.31Å; I109-T111 VanDerWaalsContact C-N 3.28Å; I109-T111 PolarHBondContact O-N 3.18Å; I109-F112 WeakPolarHBondContact O-CB 3.18Å; I109-F112 PolarHBondContact O-N 3.34Å; I109-L113 HydrophobicContact CG2-CD1 4.02Å; I109-L113 WeakPolarHBondContact O-CB 3.24Å; I109-L113 PolarHBondContact O-N 2.88Å; I109-V134 HydrophobicContact CD1-CG1 3.73Å; I109-V134 HydrophobicContact CD1-CG2 3.91Å; I109-F140 HydrophobicContact CD1-CB 4.17Å; I109-F140 HydrophobicContact CD1-CD1 3.73Å; I109-F140 HydrophobicContact CD1-CE1 4.36Å; I109-F140 HydrophobicContact CD1-CG 4.03Å; I109-F140 HydrophobicContact CG1-CD1 4.24Å; I109-F140 HydrophobicContact CG1-CE1 4.38Å; I109-L315 HydrophobicContact CG2-CD1 3.99Å
110G95.5Very high95.5Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-62.7-38.3170.700000111.6S74 F112 L113 T114 G311S74-G110 VanDerWaalsContact OG-CA 3.24Å; S74-G110 WeakPolarHBondContact OG-CA 3.3Å; S74-G110 PolarHBondContact OG-N 2.87Å; G110-F112 PolarHBondContact O-N 3Å; G110-L113 PolarHBondContact O-N 3.11Å; G110-T114 PolarHBondContact O-N 3.42Å; G110-T114 PolarHBondContact O-OG1 3.28Å; G110-T114 VanDerWaalsContact O-OG1 3.05Å; G110-G311 WeakPolarHBondContact O-CA 3.26Å
111T97Very high95.6Very high4 Ų425.5 Ų25.53%0.02513%0.131CC..Hα-helixtrans-60.8-46.4174.9-630000111.9D107 S108 I109 T114 V122 V267 C269 L304D107-T111 WeakPolarHBondContact O-CB 3.38Å; D107-T111 PolarHBondContact O-N 3.34Å; D107-T111 PolarHBondContact O-OG1 2.82Å; S108-T111 PolarHBondContact O-N 2.7Å; I109-T111 VanDerWaalsContact C-N 3.28Å; I109-T111 PolarHBondContact O-N 3.18Å; T111-T114 PolarHBondContact O-N 2.96Å; T111-V122 HydrophobicContact CG2-CG1 3.58Å; T111-V267 HydrophobicContact CG2-CB 4.43Å; T111-V267 HydrophobicContact CG2-CG1 3.65Å; T111-C269 HydrophobicContact CG2-CB 3.99Å; T111-L304 HydrophobicContact CG2-CD1 4.2Å; T111-L304 HydrophobicContact CG2-CD2 4.41Å
112F97.5Very high95.6Very high3 Ų321.9 Ų21.91%0.01311%0.114CC..Hα-helixtrans-56.7-54.5173.8172.5-102.7000111.3S108 I109 G110 T114 V115 C116 K118 A120 V122 V134 L138S108-F112 WeakPolarHBondContact O-CB 3.3Å; S108-F112 PolarHBondContact O-N 2.94Å; I109-F112 WeakPolarHBondContact O-CB 3.18Å; I109-F112 PolarHBondContact O-N 3.34Å; G110-F112 PolarHBondContact O-N 3Å; F112-T114 PolarHBondContact O-N 2.68Å; F112-T114 VanDerWaalsContact O-N 3.12Å; F112-V115 PolarHBondContact O-N 3.06Å; F112-C116 HydrophobicContact CD2-CB 3.63Å; F112-C116 HydrophobicContact CE1-CB 4.46Å; F112-C116 HydrophobicContact CE2-CB 3.42Å; F112-C116 VanDerWaalsContact CE2-CB 3.42Å; F112-C116 HydrophobicContact CG-CB 4.26Å; F112-C116 HydrophobicContact CZ-CB 3.87Å; F112-C116 WeakPolarHBondContact O-CB 3.45Å; F112-C116 PolarHBondContact O-N 3.02Å; F112-K118 WeakPolarHBondContact CE2-O 3.33Å; F112-K118 WeakPolarHBondContact CZ-O 3.31Å; F112-A120 HydrophobicContact CD2-CB 4.05Å; F112-A120 HydrophobicContact CE2-CB 3.82Å; F112-V122 HydrophobicContact CB-CG2 3.65Å; F112-V122 HydrophobicContact CD2-CG2 4.34Å; F112-V134 HydrophobicContact CB-CB 4.41Å; F112-V134 HydrophobicContact CB-CG1 4.31Å; F112-V134 HydrophobicContact CB-CG2 4.23Å; F112-V134 HydrophobicContact CD1-CB 4.32Å; F112-V134 HydrophobicContact CD1-CG1 3.59Å; F112-V134 HydrophobicContact CD2-CB 3.68Å; F112-V134 HydrophobicContact CD2-CG1 3.89Å; F112-V134 HydrophobicContact CD2-CG2 4.27Å; F112-V134 HydrophobicContact CE1-CG1 3.78Å; F112-V134 HydrophobicContact CE2-CB 3.93Å; F112-V134 HydrophobicContact CE2-CG1 4.03Å; F112-V134 HydrophobicContact CG-CB 3.89Å; F112-V134 HydrophobicContact CG-CG1 3.66Å; F112-V134 HydrophobicContact CG-CG2 4.25Å; F112-V134 HydrophobicContact CZ-CB 4.38Å; F112-V134 HydrophobicContact CZ-CG1 3.99Å; F112-L138 HydrophobicContact CD1-CD2 3.93Å; F112-L138 HydrophobicContact CE1-CD2 3.68Å
113L96.6Very high95.7Very high14 Ų1421 Ų217%0.07311%0.109CC..Hα-helixtrans-66.1-13.1-177.1-78.1173.4000113I109 G110 L138 R314 L315I109-L113 HydrophobicContact CG2-CD1 4.02Å; I109-L113 WeakPolarHBondContact O-CB 3.24Å; I109-L113 PolarHBondContact O-N 2.88Å; G110-L113 PolarHBondContact O-N 3.11Å; L113-L138 HydrophobicContact CD1-CD1 4.25Å; L113-L138 HydrophobicContact CD1-CD2 4.35Å; L113-L138 HydrophobicContact CD2-CD2 3.84Å; L113-L138 HydrophobicContact CG-CD2 4.12Å; L113-R314 HydrophobicContact CB-CB 4.48Å; L113-R314 VanDerWaalsContact O-CD 3.29Å; L113-R314 WeakPolarHBondContact O-CD 3.47Å; L113-R314 PolarHBondContact O-NH1 3.09Å; L113-L315 HydrophobicContact CD1-CB 3.61Å; L113-L315 HydrophobicContact CD1-CD1 3.64Å; L113-L315 HydrophobicContact CD1-CG 4.25Å
114T96.8Very high95.7Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-68.3-38.3173.8-62.10000111.7G110 T111 F112 L304 H306 A308 Y310 G311 D328G110-T114 PolarHBondContact O-N 3.42Å; G110-T114 PolarHBondContact O-OG1 3.28Å; G110-T114 VanDerWaalsContact O-OG1 3.05Å; T111-T114 PolarHBondContact O-N 2.96Å; F112-T114 PolarHBondContact O-N 2.68Å; F112-T114 VanDerWaalsContact O-N 3.12Å; T114-L304 HydrophobicContact CG2-CD1 4.39Å; T114-L304 HydrophobicContact CG2-CD2 4.05Å; T114-H306 HydrophobicContact CG2-CB 4.5Å; T114-A308 WeakPolarHBondContact OG1-CA 3.38Å; T114-Y310 HydrophobicContact CG2-CD1 4.38Å; T114-G311 WeakPolarHBondContact OG1-CA 3.19Å; T114-G311 PolarHBondContact OG1-N 3.37Å; T114-D328 HydrophobicContact CG2-CB 4.2Å; T114-D328 WeakPolarHBondContact O-CB 3.38Å; T114-D328 PolarHBondContact O-N 2.87Å
115V96.1Very high95.8Very high21 Ų2118.7 Ų18.713%0.12710%0.098CC..Hα-helixtrans-127.8-11.6-168.5-66.80000115.1F112 V267 V302 L304 D328F112-V115 PolarHBondContact O-N 3.06Å; V115-V267 HydrophobicContact CG2-CB 4.35Å; V115-V267 HydrophobicContact CG2-CG1 3.74Å; V115-V267 HydrophobicContact CG2-CG2 3.59Å; V115-V302 HydrophobicContact CG2-CG2 4.41Å; V115-L304 HydrophobicContact CB-CD2 4.38Å; V115-L304 HydrophobicContact CG1-CD2 3.67Å; V115-L304 HydrophobicContact CG2-CD2 3.78Å; V115-D328 WeakPolarHBondContact CA-O 3.39Å; V115-D328 HydrophobicContact CG1-CB 4.27Å
116C94.2Very high95.8Very high9 Ų918.7 Ų18.76%0.06110%0.1CC..  trans-116.5147.4-175.2-62.90000112.9F112 A120 V267F112-C116 HydrophobicContact CD2-CB 3.63Å; F112-C116 HydrophobicContact CE1-CB 4.46Å; F112-C116 HydrophobicContact CE2-CB 3.42Å; F112-C116 VanDerWaalsContact CE2-CB 3.42Å; F112-C116 HydrophobicContact CG-CB 4.26Å; F112-C116 HydrophobicContact CZ-CB 3.87Å; F112-C116 WeakPolarHBondContact O-CB 3.45Å; F112-C116 PolarHBondContact O-N 3.02Å; C116-A120 HydrophobicContact CB-CB 4.39Å; C116-V267 VanDerWaalsContact SG-CG2 3.56Å
117D91Very high95.9Very high113 Ų11319.3 Ų19.360%0.60410%0.104SC*.SBendtrans-122.3-18.7166.159.9-10.2000112T327D117-T327 HydrophobicContact CB-CG2 4.4Å
118K92.4Very high96Very high138 Ų13818.7 Ų18.760%0.610%0.104SC*.SBendtrans-103.5162.3174.3-66.9-175-177.7-179.70112.1F112 A120F112-K118 WeakPolarHBondContact CE2-O 3.33Å; F112-K118 WeakPolarHBondContact CZ-O 3.31Å; K118-A120 PolarHBondContact O-N 2.8Å
119A94.6Very high96.1Very high23 Ų2318.8 Ų18.819%0.1910%0.104CC..  trans-53.8134.5176.100000111.9Y133 V134 L264A119-Y133 HydrophobicContact CB-CE2 4.05Å; A119-V134 CarbonylContact C-O 3.55Å; A119-V134 WeakPolarHBondContact CA-O 3.21Å; A119-V134 WeakPolarHBondContact CB-O 3.47Å; A119-L264 WeakPolarHBondContact O-CD1 3.41Å
120A96.7Very high96.2Very high1 Ų119 Ų191%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-151.9164.8-175.600000111.2F112 C116 K118 V134F112-A120 HydrophobicContact CD2-CB 4.05Å; F112-A120 HydrophobicContact CE2-CB 3.82Å; C116-A120 HydrophobicContact CB-CB 4.39Å; K118-A120 PolarHBondContact O-N 2.8Å; A120-V134 PolarHBondContact N-O 2.85Å; A120-V134 PolarHBondContact O-N 3.17Å
121I98Very high96.3Very high0 Ų019 Ų190%011%0.105CC..EExtended strand (participates in β ladder)trans-93.4135.3168.1-63.3171.5000108.1C131 C132 Y133 V246 A249 L250 L264 T265 V266 V267I121-C131 VanDerWaalsContact CG2-SG 3.56Å; I121-C132 CarbonylContact C-O 3.52Å; I121-C132 WeakPolarHBondContact CA-O 3.01Å; I121-Y133 HydrophobicContact CG1-CD2 4.35Å; I121-V246 HydrophobicContact CD1-CG1 4.06Å; I121-V246 HydrophobicContact CG2-CG2 4.44Å; I121-A249 HydrophobicContact CD1-CB 3.73Å; I121-A249 HydrophobicContact CG1-CB 3.87Å; I121-A249 HydrophobicContact CG2-CB 4.06Å; I121-L250 HydrophobicContact CD1-CD2 4.18Å; I121-L250 HydrophobicContact CD1-CG 4.02Å; I121-L264 HydrophobicContact CD1-CD2 3.52Å; I121-L264 HydrophobicContact CG1-CD2 3.73Å; I121-L264 HydrophobicContact CG1-CG 4.48Å; I121-T265 PolarHBondContact N-O 3.26Å; I121-V266 HydrophobicContact CB-CG1 4.31Å; I121-V266 HydrophobicContact CB-CG2 4.23Å; I121-V266 HydrophobicContact CG2-CG1 4.1Å; I121-V266 CarbonylContact O-C 3.52Å; I121-V266 VanDerWaalsContact O-CA 3.31Å; I121-V266 WeakPolarHBondContact O-CA 3.43Å; I121-V267 PolarHBondContact O-N 3.45Å
122V98.3Very high96.4Very high1 Ų118.8 Ų18.81%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-108.4121.9167.21780000108T111 F112 I124 C131 C132 V134 V267T111-V122 HydrophobicContact CG2-CG1 3.58Å; F112-V122 HydrophobicContact CB-CG2 3.65Å; F112-V122 HydrophobicContact CD2-CG2 4.34Å; V122-I124 HydrophobicContact CG1-CD1 4.1Å; V122-I124 HydrophobicContact CG1-CG1 3.93Å; V122-C131 CarbonylContact O-C 3.34Å; V122-C131 VanDerWaalsContact O-CA 3.26Å; V122-C131 WeakPolarHBondContact O-CA 3.47Å; V122-C132 PolarHBondContact N-O 2.94Å; V122-C132 PolarHBondContact O-N 3.22Å; V122-V134 HydrophobicContact CG2-CG2 4.17Å; V122-V267 HydrophobicContact CG2-CB 4.34Å
123L98.6Very high96.4Very high0 Ų018.9 Ų18.90%011%0.105CC..EExtended strand (participates in β ladder)trans-119.7105.1178-177.166.5000109C131 L242 H245 V246 V266 V267 C268 C269 F273 F283L123-C131 HydrophobicContact CD1-CB 3.79Å; L123-L242 HydrophobicContact CD1-CD2 4.13Å; L123-L242 HydrophobicContact CD2-CB 4.19Å; L123-H245 HydrophobicContact CD1-CB 4.28Å; L123-V246 HydrophobicContact CD1-CG2 4.36Å; L123-V246 HydrophobicContact CD2-CG2 3.78Å; L123-V246 HydrophobicContact CG-CG2 4.49Å; L123-V266 HydrophobicContact CB-CG1 4Å; L123-V267 PolarHBondContact N-O 2.96Å; L123-C268 WeakPolarHBondContact O-CA 3.32Å; L123-C269 PolarHBondContact O-N 3.41Å; L123-F273 HydrophobicContact CB-CZ 4.4Å; L123-F273 HydrophobicContact CD2-CE1 4.28Å; L123-F273 HydrophobicContact CD2-CZ 3.66Å; L123-F273 HydrophobicContact CG-CZ 3.85Å; L123-F273 WeakPolarHBondContact O-CE2 3.38Å; L123-F283 HydrophobicContact CD2-CE2 3.86Å; L123-F283 HydrophobicContact CD2-CZ 4.32Å
124I97.6Very high96.4Very high20 Ų2018.2 Ų18.210%0.10310%0.101CC..EExtended strand (participates in β ladder)trans-100.2126.3177.5-62.4166.5000108.3D107 V122 S129 I130 C269D107-I124 HydrophobicContact CB-CD1 4.16Å; V122-I124 HydrophobicContact CG1-CD1 4.1Å; V122-I124 HydrophobicContact CG1-CG1 3.93Å; I124-S129 CarbonylContact O-C 3.5Å; I124-S129 WeakPolarHBondContact O-CA 3.4Å; I124-S129 WeakPolarHBondContact O-CB 3.31Å; I124-I130 HydrophobicContact CB-CG2 3.78Å; I124-I130 HydrophobicContact CD1-CG2 4.05Å; I124-I130 HydrophobicContact CG1-CG2 4.36Å; I124-I130 HydrophobicContact CG2-CG2 4.42Å; I124-I130 PolarHBondContact N-O 2.64Å; I124-I130 PolarHBondContact O-N 3.33Å; I124-C269 CarbonylContact C-O 3.08Å; I124-C269 VanDerWaalsContact CA-O 3.27Å; I124-C269 WeakPolarHBondContact CA-O 3.47Å; I124-C269 HydrophobicContact CG1-CB 4.16Å
125S97.7Very high96.3Very high0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-138.397.1171.3-168.60000110.9G154 C269 G270 S271 V272S125-G154 PolarHBondContact OG-O 3.05Å; S125-C269 PolarHBondContact N-O 3.36Å; S125-G270 CarbonylContact O-C 3.53Å; S125-G270 VanDerWaalsContact O-CA 3.26Å; S125-G270 WeakPolarHBondContact O-CA 3.18Å; S125-S271 PolarHBondContact O-N 3.43Å; S125-V272 WeakPolarHBondContact O-CB 3.25Å; S125-V272 WeakPolarHBondContact O-CG2 3.25Å; S125-V272 PolarHBondContact O-N 3.5Å; S125-V272 WeakPolarHBondContact OG-CB 3.37Å; S125-V272 WeakPolarHBondContact OG-CG2 3.23Å
126G95.9Very high96Very high9 Ų926 Ų269%0.09313%0.134CC..SBendtrans-127.6-127.1174.700000109.6G128 A156G126-G128 CarbonylContact C-O 3.58Å; G126-G128 PolarHBondContact N-O 3.12Å; G126-G128 PolarHBondContact O-N 3.07Å; G126-A156 WeakPolarHBondContact O-CB 3.37Å; G126-A156 PolarHBondContact O-N 3.03Å
127T95.6Very high95.9Very high16 Ų1630.9 Ų30.910%0.09816%0.159CC..SBendtrans-56-40.5173.6-56.90000112.1A12 T13 Y157 K210 N211 A214A12-T127 HydrophobicContact CB-CG2 3.93Å; T13-T127 PolarHBondContact OG1-OG1 3.34Å; T127-Y157 WeakPolarHBondContact O-CB 3.31Å; T127-Y157 PolarHBondContact O-N 2.9Å; T127-K210 HydrophobicContact CG2-CD 3.99Å; T127-K210 HydrophobicContact CG2-CG 3.84Å; T127-N211 HydrophobicContact CG2-CB 4.47Å; T127-A214 HydrophobicContact CG2-CB 3.77Å
128G95.9Very high96Very high14 Ų1427.2 Ų27.214%0.14414%0.139CC..SBendtrans-117.1-176.1166.800000110.7G126 E152G126-G128 CarbonylContact C-O 3.58Å; G126-G128 PolarHBondContact N-O 3.12Å; G126-G128 PolarHBondContact O-N 3.07Å; G128-E152 WeakPolarHBondContact CA-OE1 3.23Å
129S97.2Very high96Very high2 Ų223.9 Ų23.91%0.01413%0.13CC..EExtended strand (participates in β ladder)trans-136.3144.6173.359.50000111.5I124 G145 E152 K153I124-S129 CarbonylContact O-C 3.5Å; I124-S129 WeakPolarHBondContact O-CA 3.4Å; I124-S129 WeakPolarHBondContact O-CB 3.31Å; S129-G145 WeakPolarHBondContact O-CA 3.38Å; S129-G145 PolarHBondContact O-N 2.96Å; S129-E152 VanDerWaalsContact OG-CA 3.26Å; S129-E152 WeakPolarHBondContact OG-CA 3.37Å; S129-E152 PolarHBondContact OG-O 3.34Å; S129-K153 PolarHBondContact OG-O 3.44Å
130I96.9Very high96Very high10 Ų1026.6 Ų26.65%0.05114%0.138CC..EExtended strand (participates in β ladder)trans-149.6144.6175.4-177.3177.9000108.4I124 R142I124-I130 HydrophobicContact CB-CG2 3.78Å; I124-I130 HydrophobicContact CD1-CG2 4.05Å; I124-I130 HydrophobicContact CG1-CG2 4.36Å; I124-I130 HydrophobicContact CG2-CG2 4.42Å; I124-I130 PolarHBondContact N-O 2.64Å; I124-I130 PolarHBondContact O-N 3.33Å; I130-R142 HydrophobicContact CD1-CG 4.17Å; I130-R142 HydrophobicContact CG1-CG 4.41Å
131C98.1Very high96Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-122.2140.7169.7-176.70000109.4I121 V122 L123 I143 H245I121-C131 VanDerWaalsContact CG2-SG 3.56Å; V122-C131 CarbonylContact O-C 3.34Å; V122-C131 VanDerWaalsContact O-CA 3.26Å; V122-C131 WeakPolarHBondContact O-CA 3.47Å; L123-C131 HydrophobicContact CD1-CB 3.79Å; C131-I143 HydrophobicContact CB-CB 4.08Å; C131-I143 HydrophobicContact CB-CG2 4.48Å; C131-I143 PolarHBondContact N-O 2.99Å; C131-I143 CarbonylContact O-C 3.59Å; C131-I143 WeakPolarHBondContact O-CA 3.37Å; C131-I143 PolarHBondContact O-N 3.22Å; C131-H245 HydrophobicContact CB-CB 3.59Å
132C97.6Very high95.9Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-133.4140.2173.2-700000109.7S108 I121 V122 V134 Q141S108-C132 PolarHBondContact OG-SG 2.78Å; I121-C132 CarbonylContact C-O 3.52Å; I121-C132 WeakPolarHBondContact CA-O 3.01Å; V122-C132 PolarHBondContact N-O 2.94Å; V122-C132 PolarHBondContact O-N 3.22Å; C132-V134 HydrophobicContact CB-CG2 4.03Å; C132-Q141 VanDerWaalsContact CA-O 3.24Å; C132-Q141 WeakPolarHBondContact CA-O 3.44Å
133Y97.4Very high95.8Very high6 Ų633 Ų332%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-96.1117.8159169.6-116.2000108A119 I121 R135 F140 Q141 H253 D256A119-Y133 HydrophobicContact CB-CE2 4.05Å; I121-Y133 HydrophobicContact CG1-CD2 4.35Å; Y133-R135 HydrophobicContact CE1-CG 3.85Å; Y133-F140 CarbonylContact O-C 3.54Å; Y133-F140 WeakPolarHBondContact O-CA 3.28Å; Y133-F140 WeakPolarHBondContact O-CB 3.35Å; Y133-Q141 PolarHBondContact N-O 3.43Å; Y133-Q141 PolarHBondContact O-N 2.83Å; Y133-H253 HydrophobicContact CD2-CB 4.11Å; Y133-H253 HydrophobicContact CE2-CB 3.64Å; Y133-H253 AromaticContact CE2-CG 3.87Å; Y133-H253 AromaticContact CE2-ND1 3.45Å; Y133-H253 WeakPolarHBondContact CE2-ND1 3.33Å; Y133-H253 AromaticContact CZ-ND1 3.64Å; Y133-H253 PolarHBondContact OH-ND1 3.23Å; Y133-D256 WeakPolarHBondContact CE1-OD2 3.28Å; Y133-D256 PolarHBondContact OH-OD2 3.08Å
134V96.6Very high95.6Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-111129.7-175-172.70000108.8I109 F112 A119 A120 V122 C132 F140I109-V134 HydrophobicContact CD1-CG1 3.73Å; I109-V134 HydrophobicContact CD1-CG2 3.91Å; F112-V134 HydrophobicContact CB-CB 4.41Å; F112-V134 HydrophobicContact CB-CG1 4.31Å; F112-V134 HydrophobicContact CB-CG2 4.23Å; F112-V134 HydrophobicContact CD1-CB 4.32Å; F112-V134 HydrophobicContact CD1-CG1 3.59Å; F112-V134 HydrophobicContact CD2-CB 3.68Å; F112-V134 HydrophobicContact CD2-CG1 3.89Å; F112-V134 HydrophobicContact CD2-CG2 4.27Å; F112-V134 HydrophobicContact CE1-CG1 3.78Å; F112-V134 HydrophobicContact CE2-CB 3.93Å; F112-V134 HydrophobicContact CE2-CG1 4.03Å; F112-V134 HydrophobicContact CG-CB 3.89Å; F112-V134 HydrophobicContact CG-CG1 3.66Å; F112-V134 HydrophobicContact CG-CG2 4.25Å; F112-V134 HydrophobicContact CZ-CB 4.38Å; F112-V134 HydrophobicContact CZ-CG1 3.99Å; A119-V134 CarbonylContact C-O 3.55Å; A119-V134 WeakPolarHBondContact CA-O 3.21Å; A119-V134 WeakPolarHBondContact CB-O 3.47Å; A120-V134 PolarHBondContact N-O 2.85Å; A120-V134 PolarHBondContact O-N 3.17Å; V122-V134 HydrophobicContact CG2-CG2 4.17Å; C132-V134 HydrophobicContact CB-CG2 4.03Å; V134-F140 HydrophobicContact CB-CB 4.44Å; V134-F140 HydrophobicContact CG1-CB 4.49Å; V134-F140 HydrophobicContact CG2-CB 4.07Å
135R94.7Very high95.4Very high56 Ų5633.2 Ų33.221%0.21117%0.173CC..  trans-92.1165.9178.8-62.9178.2176.681.83.9111.1Y133 N137 L138 T139 D256Y133-R135 HydrophobicContact CE1-CG 3.85Å; R135-N137 WeakPolarHBondContact CB-OD1 3.47Å; R135-N137 PolarHBondContact O-N 2.8Å; R135-L138 WeakPolarHBondContact O-CA 3.48Å; R135-L138 PolarHBondContact O-N 2.78Å; R135-T139 WeakPolarHBondContact CB-O 3.38Å; R135-T139 WeakPolarHBondContact CD-OG1 3.47Å; R135-T139 PolarHBondContact N-O 3.36Å; R135-D256 WeakPolarHBondContact CD-OD2 3.25Å; R135-D256 IonicContact CZ-OD1 3.77Å; R135-D256 IonicContact CZ-OD2 3.62Å; R135-D256 VanDerWaalsContact CZ-OD2 3.28Å; R135-D256 IonicContact NE-OD1 3.08Å; R135-D256 PolarHBondContact NE-OD1 2.9Å; R135-D256 IonicContact NE-OD2 3.28Å; R135-D256 PolarHBondContact NE-OD2 2.9Å; R135-D256 IonicContact NH2-OD1 2.81Å; R135-D256 PolarHBondContact NH2-OD1 3.2Å; R135-D256 IonicContact NH2-OD2 2.81Å; R135-D256 PolarHBondContact NH2-OD2 2.82Å
136E91.6Very high95.2Very high129 Ų12940.4 Ų40.460%0.60320%0.201SC*.THydrogen-bonded Turntrans-57.9-33.4178.8-64.1-173.2-179.900113.4L138E136-L138 PolarHBondContact O-N 2.98Å
137N91.8Very high95Very high110 Ų11041.1 Ų41.159%0.58821%0.208SC*.THydrogen-bonded Turntrans-82.913.3176.470.8-4.5000113.9R135 T139R135-N137 WeakPolarHBondContact CB-OD1 3.47Å; R135-N137 PolarHBondContact O-N 2.8Å; N137-T139 PolarHBondContact O-N 3.06Å; N137-T139 VanDerWaalsContact O-N 3.08Å; N137-T139 WeakPolarHBondContact OD1-CB 3.45Å; N137-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N137-T139 PolarHBondContact OD1-N 3.4Å; N137-T139 VanDerWaalsContact OD1-N 3.09Å; N137-T139 PolarHBondContact OD1-OG1 3.25Å
138L92Very high94.8Very high37 Ų3742.5 Ų42.519%0.19421%0.214CC..SBendtrans62.45.6-177.6-53.8-179.7000116.1F112 L113 R135 E136 L315 H318F112-L138 HydrophobicContact CD1-CD2 3.93Å; F112-L138 HydrophobicContact CE1-CD2 3.68Å; L113-L138 HydrophobicContact CD1-CD1 4.25Å; L113-L138 HydrophobicContact CD1-CD2 4.35Å; L113-L138 HydrophobicContact CD2-CD2 3.84Å; L113-L138 HydrophobicContact CG-CD2 4.12Å; R135-L138 WeakPolarHBondContact O-CA 3.48Å; R135-L138 PolarHBondContact O-N 2.78Å; E136-L138 PolarHBondContact O-N 2.98Å; L138-L315 HydrophobicContact CD1-CD1 4.1Å; L138-H318 HydrophobicContact CD1-CB 4.43Å
139T93.2Very high94.7Very high67 Ų6748.3 Ų48.341%0.41124%0.241SC..  trans-69.4145.8163.465.60000109.3R135 N137R135-T139 WeakPolarHBondContact CB-O 3.38Å; R135-T139 WeakPolarHBondContact CD-OG1 3.47Å; R135-T139 PolarHBondContact N-O 3.36Å; N137-T139 PolarHBondContact O-N 3.06Å; N137-T139 VanDerWaalsContact O-N 3.08Å; N137-T139 WeakPolarHBondContact OD1-CB 3.45Å; N137-T139 WeakPolarHBondContact OD1-CG2 3.38Å; N137-T139 PolarHBondContact OD1-N 3.4Å; N137-T139 VanDerWaalsContact OD1-N 3.09Å; N137-T139 PolarHBondContact OD1-OG1 3.25Å
140F94.9Very high94.5Very high80 Ų8055.1 Ų55.135%0.35128%0.276SS..EExtended strand (participates in β ladder)trans-143.3156.5-174.265.5-83.1000111.7I109 Y133 V134I109-F140 HydrophobicContact CD1-CB 4.17Å; I109-F140 HydrophobicContact CD1-CD1 3.73Å; I109-F140 HydrophobicContact CD1-CE1 4.36Å; I109-F140 HydrophobicContact CD1-CG 4.03Å; I109-F140 HydrophobicContact CG1-CD1 4.24Å; I109-F140 HydrophobicContact CG1-CE1 4.38Å; Y133-F140 CarbonylContact O-C 3.54Å; Y133-F140 WeakPolarHBondContact O-CA 3.28Å; Y133-F140 WeakPolarHBondContact O-CB 3.35Å; V134-F140 HydrophobicContact CB-CB 4.44Å; V134-F140 HydrophobicContact CG1-CB 4.49Å; V134-F140 HydrophobicContact CG2-CB 4.07Å
141Q96.1Very high94Very high68 Ų6855.3 Ų55.332%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-108.5127.2167.4-176.359.95300108.9C132 Y133 I143 Y252C132-Q141 VanDerWaalsContact CA-O 3.24Å; C132-Q141 WeakPolarHBondContact CA-O 3.44Å; Y133-Q141 PolarHBondContact N-O 3.43Å; Y133-Q141 PolarHBondContact O-N 2.83Å; Q141-I143 HydrophobicContact CG-CD1 4.19Å; Q141-I143 WeakPolarHBondContact O-CD1 3.19Å; Q141-Y252 HydrophobicContact CB-CD1 4.3Å; Q141-Y252 HydrophobicContact CB-CD2 4.15Å; Q141-Y252 HydrophobicContact CB-CE2 4.41Å; Q141-Y252 HydrophobicContact CB-CG 4.09Å; Q141-Y252 HydrophobicContact CG-CD1 3.88Å; Q141-Y252 HydrophobicContact CG-CD2 3.6Å; Q141-Y252 HydrophobicContact CG-CE1 3.66Å; Q141-Y252 HydrophobicContact CG-CE2 3.39Å; Q141-Y252 HydrophobicContact CG-CG 3.84Å; Q141-Y252 VanDerWaalsContact CG-CZ 3.41Å
142R95.3Very high93.8Very high49 Ų4956.2 Ų56.219%0.18529%0.285CS..EExtended strand (participates in β ladder)trans-85.7136.6174.7-173.4-168.7-172.898.9-10.5110.8D79 I130 G144 G145D79-R142 IonicContact OD1-CZ 3.37Å; D79-R142 IonicContact OD1-NH1 2.83Å; D79-R142 PolarHBondContact OD1-NH1 2.96Å; D79-R142 IonicContact OD1-NH2 3.21Å; D79-R142 PolarHBondContact OD1-NH2 3.49Å; D79-R142 VanDerWaalsContact OD1-NH2 3.09Å; I130-R142 HydrophobicContact CD1-CG 4.17Å; I130-R142 HydrophobicContact CG1-CG 4.41Å; R142-G144 PolarHBondContact NE-O 3.15Å; R142-G145 PolarHBondContact NH2-O 3.02Å
143I96.7Very high93.8Very high21 Ų2161.3 Ų61.311%0.10831%0.307CS..EExtended strand (participates in β ladder)trans-129.8117.7173.1-59.989.6000108.3C131 Q141 H245 A248 A249 Y252C131-I143 HydrophobicContact CB-CB 4.08Å; C131-I143 HydrophobicContact CB-CG2 4.48Å; C131-I143 PolarHBondContact N-O 2.99Å; C131-I143 CarbonylContact O-C 3.59Å; C131-I143 WeakPolarHBondContact O-CA 3.37Å; C131-I143 PolarHBondContact O-N 3.22Å; Q141-I143 HydrophobicContact CG-CD1 4.19Å; Q141-I143 WeakPolarHBondContact O-CD1 3.19Å; I143-H245 HydrophobicContact CG2-CB 4.15Å; I143-A248 HydrophobicContact CG1-CB 4.17Å; I143-A248 HydrophobicContact CG2-CB 3.77Å; I143-A249 HydrophobicContact CD1-CB 3.83Å; I143-Y252 HydrophobicContact CG1-CE2 4.5Å
144G95.2Very high93.8Very high13 Ų1361 Ų6113%0.13431%0.306CS..EExtended strand (participates in β ladder)trans70.7-156-17700000113.3R142R142-G144 PolarHBondContact NE-O 3.15Å
145G93.5Very high93.9Very high10 Ų1061 Ų6110%0.10331%0.306CS..  trans74.924.7-178.400000114.5S129 R142 G147 G151S129-G145 WeakPolarHBondContact O-CA 3.38Å; S129-G145 PolarHBondContact O-N 2.96Å; R142-G145 PolarHBondContact NH2-O 3.02Å; G145-G147 PolarHBondContact O-N 3.13Å; G145-G151 PolarHBondContact N-O 3.06Å
146Y93.1Very high94.1Very high152 Ų15258.5 Ų58.560%0.59630%0.297SS*.SBendtrans-82.316.3-178.4-68.9-80.2000113.8L150 G151Y146-L150 WeakPolarHBondContact O-CB 3.2Å; Y146-G151 PolarHBondContact N-O 2.89Å
147G91.7Very high94.4Very high23 Ų2352.9 Ų52.924%0.23727%0.27CS..  trans84.6166.1-174.400000113.3G145 L149 L150 G151 E152G145-G147 PolarHBondContact O-N 3.13Å; G147-L149 VanDerWaalsContact C-N 3.26Å; G147-L149 PolarHBondContact O-N 2.78Å; G147-L150 PolarHBondContact O-N 2.7Å; G147-G151 PolarHBondContact O-N 3.38Å; G147-E152 VanDerWaalsContact C-CD 3.43Å; G147-E152 VanDerWaalsContact C-CG 3.5Å; G147-E152 VanDerWaalsContact CA-CD 3.43Å; G147-E152 PolarHBondContact O-N 2.83Å
148H91.8Very high94.7Very high46 Ų4649.1 Ų49.121%0.21325%0.248CC..THydrogen-bonded Turntrans-62.3-29.3-16757.5-74.6000114.6E152 Y157 F208H148-E152 WeakPolarHBondContact CA-OE2 3.28Å; H148-E152 PolarHBondContact N-OE2 3.28Å; H148-Y157 HydrophobicContact CB-CD1 3.55Å; H148-Y157 HydrophobicContact CB-CD2 4.39Å; H148-Y157 HydrophobicContact CB-CE1 3.56Å; H148-Y157 HydrophobicContact CB-CE2 4.4Å; H148-Y157 HydrophobicContact CB-CG 3.99Å; H148-Y157 AromaticContact CD2-CE1 3.85Å; H148-Y157 AromaticContact CD2-CZ 3.54Å; H148-Y157 PolarHBondContact CD2-OH 3.33Å; H148-F208 AromaticContact NE2-CE1 3.93Å; H148-F208 AromaticContact NE2-CZ 3.51Å
149L93.5Very high95.1Very high136 Ų13647.4 Ų47.471%0.71224%0.239SC*.THydrogen-bonded Turntrans-80.2-25.5177.7-60.9177.7000113.1G147G147-L149 VanDerWaalsContact C-N 3.26Å; G147-L149 PolarHBondContact O-N 2.78Å
150L93.1Very high95.3Very high145 Ų14544.2 Ų44.276%0.75922%0.219SC*.THydrogen-bonded Turntrans-115.9-33.5-165.5-58.3177.4000114Y146 G147Y146-L150 WeakPolarHBondContact O-CB 3.2Å; G147-L150 PolarHBondContact O-N 2.7Å
151G86.4Confident95.5Very high14 Ų1442.3 Ų42.314%0.14421%0.212CC..SBendtrans-178.350.1-167.400000116.4G145 Y146 G147G145-G151 PolarHBondContact N-O 3.06Å; Y146-G151 PolarHBondContact N-O 2.89Å; G147-G151 PolarHBondContact O-N 3.38Å
152E93.6Very high95.6Very high19 Ų1941.8 Ų41.89%0.08921%0.207CC..  trans-119.744.8170.1-70179.4149.200111.1G128 S129 G147 H148 S155 W158 K210G128-E152 WeakPolarHBondContact CA-OE1 3.23Å; S129-E152 VanDerWaalsContact OG-CA 3.26Å; S129-E152 WeakPolarHBondContact OG-CA 3.37Å; S129-E152 PolarHBondContact OG-O 3.34Å; G147-E152 VanDerWaalsContact C-CD 3.43Å; G147-E152 VanDerWaalsContact C-CG 3.5Å; G147-E152 VanDerWaalsContact CA-CD 3.43Å; G147-E152 PolarHBondContact O-N 2.83Å; H148-E152 WeakPolarHBondContact CA-OE2 3.28Å; H148-E152 PolarHBondContact N-OE2 3.28Å; E152-S155 WeakPolarHBondContact O-CB 3.07Å; E152-S155 PolarHBondContact O-N 3.42Å; E152-S155 PolarHBondContact O-OG 3.07Å; E152-W158 WeakPolarHBondContact O-CB 3.41Å; E152-K210 IonicContact OE1-NZ 2.83Å; E152-K210 PolarHBondContact OE1-NZ 3.42Å; E152-K210 WeakPolarHBondContact OE2-CE 3.43Å; E152-K210 IonicContact OE2-NZ 3.42Å; E152-K210 PolarHBondContact OE2-NZ 2.84Å
153K97.7Very high95.7Very high106 Ų10639.5 Ų39.546%0.46120%0.198SC..THydrogen-bonded Turntrans-64.1144.2178.6-60.2-170.7-177.71770110.9S129 S155 W158 Q241S129-K153 PolarHBondContact OG-O 3.44Å; K153-S155 PolarHBondContact O-N 2.92Å; K153-W158 HydrophobicContact CB-CD2 4.46Å; K153-W158 HydrophobicContact CB-CG 4.4Å; K153-Q241 HydrophobicContact CB-CB 3.97Å; K153-Q241 HydrophobicContact CB-CG 3.93Å
154G98.3Very high95.8Very high0 Ų038.8 Ų38.80%020%0.195CC..THydrogen-bonded Turntrans772.3-174.900000115.2S125S125-G154 PolarHBondContact OG-O 3.05Å
155S98.5Very high95.9Very high0 Ų041.1 Ų41.10%020%0.202CC..SBendtrans-77.9167171.768.20000112.8E152 K153 Y157 W158 I159E152-S155 WeakPolarHBondContact O-CB 3.07Å; E152-S155 PolarHBondContact O-N 3.42Å; E152-S155 PolarHBondContact O-OG 3.07Å; K153-S155 PolarHBondContact O-N 2.92Å; S155-Y157 VanDerWaalsContact C-N 3.3Å; S155-Y157 PolarHBondContact O-N 2.86Å; S155-W158 PolarHBondContact O-N 3.46Å; S155-W158 VanDerWaalsContact O-N 3.16Å; S155-W158 WeakPolarHBondContact OG-CB 3.34Å; S155-W158 PolarHBondContact OG-N 3.26Å; S155-W158 VanDerWaalsContact OG-N 3.11Å; S155-I159 WeakPolarHBondContact O-CG1 3.4Å; S155-I159 PolarHBondContact O-N 3.45Å
156A98.6Very high96.2Very high4 Ų443.5 Ų43.53%0.03321%0.209CC..Hα-helixtrans-61.8-38.1174.100000112.1G126 A160 A214 C217 V272G126-A156 WeakPolarHBondContact O-CB 3.37Å; G126-A156 PolarHBondContact O-N 3.03Å; A156-A160 WeakPolarHBondContact O-CB 3.27Å; A156-A160 PolarHBondContact O-N 3.37Å; A156-A214 HydrophobicContact CB-CB 4Å; A156-C217 HydrophobicContact CB-CB 3.7Å; A156-V272 HydrophobicContact CB-CG2 3.84Å
157Y98.1Very high96.4Very high10 Ų1036.2 Ų36.24%0.03918%0.181CC..Hα-helixtrans-61.3-46.7172.9-178.4-83000110.8T127 H148 S155 I159 A160 Q161 F208 K210 V213T127-Y157 WeakPolarHBondContact O-CB 3.31Å; T127-Y157 PolarHBondContact O-N 2.9Å; H148-Y157 HydrophobicContact CB-CD1 3.55Å; H148-Y157 HydrophobicContact CB-CD2 4.39Å; H148-Y157 HydrophobicContact CB-CE1 3.56Å; H148-Y157 HydrophobicContact CB-CE2 4.4Å; H148-Y157 HydrophobicContact CB-CG 3.99Å; H148-Y157 AromaticContact CD2-CE1 3.85Å; H148-Y157 AromaticContact CD2-CZ 3.54Å; H148-Y157 PolarHBondContact CD2-OH 3.33Å; S155-Y157 VanDerWaalsContact C-N 3.3Å; S155-Y157 PolarHBondContact O-N 2.86Å; Y157-I159 PolarHBondContact O-N 3.22Å; Y157-A160 PolarHBondContact O-N 3.42Å; Y157-Q161 HydrophobicContact CD1-CB 4.39Å; Y157-Q161 HydrophobicContact CE1-CB 4.16Å; Y157-Q161 HydrophobicContact CE1-CG 4.48Å; Y157-Q161 VanDerWaalsContact O-CB 3.3Å; Y157-Q161 WeakPolarHBondContact O-CB 3.21Å; Y157-Q161 PolarHBondContact O-N 3.38Å; Y157-F208 HydrophobicContact CE2-CE2 4.07Å; Y157-F208 HydrophobicContact CE2-CZ 4.14Å; Y157-K210 HydrophobicContact CD2-CG 3.77Å; Y157-K210 HydrophobicContact CE2-CG 4.23Å; Y157-K210 HydrophobicContact CG-CG 4.45Å; Y157-V213 HydrophobicContact CD2-CB 3.79Å; Y157-V213 HydrophobicContact CD2-CG1 3.72Å; Y157-V213 HydrophobicContact CE2-CB 3.71Å; Y157-V213 HydrophobicContact CE2-CG1 3.62Å; Y157-V213 HydrophobicContact CE2-CG2 4.18Å; Y157-V213 HydrophobicContact CG-CG1 4.48Å
158W98.6Very high96.7Very high31 Ų3137.5 Ų37.512%0.11718%0.182CC..Hα-helixtrans-62.9-43.5-178.7-177.485.1000112.3E152 K153 S155 Q161 R162 D237 A238 Q241E152-W158 WeakPolarHBondContact O-CB 3.41Å; K153-W158 HydrophobicContact CB-CD2 4.46Å; K153-W158 HydrophobicContact CB-CG 4.4Å; S155-W158 PolarHBondContact O-N 3.46Å; S155-W158 VanDerWaalsContact O-N 3.16Å; S155-W158 WeakPolarHBondContact OG-CB 3.34Å; S155-W158 PolarHBondContact OG-N 3.26Å; S155-W158 VanDerWaalsContact OG-N 3.11Å; W158-Q161 PolarHBondContact O-N 3.48Å; W158-R162 HydrophobicContact CD2-CG 3.89Å; W158-R162 HydrophobicContact CE3-CG 4.17Å; W158-R162 HydrophobicContact CG-CG 4.45Å; W158-R162 HydrophobicContact CH2-CG 4.04Å; W158-R162 HydrophobicContact CZ2-CG 3.76Å; W158-R162 HydrophobicContact CZ3-CG 4.23Å; W158-R162 WeakPolarHBondContact O-CB 3.14Å; W158-R162 WeakPolarHBondContact O-CG 3.26Å; W158-R162 PolarHBondContact O-N 3.23Å; W158-D237 HydrophobicContact CH2-CB 3.97Å; W158-D237 HydrophobicContact CZ3-CB 4.4Å; W158-A238 HydrophobicContact CE3-CB 4.33Å; W158-A238 HydrophobicContact CZ3-CB 3.97Å; W158-Q241 HydrophobicContact CH2-CG 3.96Å; W158-Q241 HydrophobicContact CZ2-CG 4.08Å; W158-Q241 HydrophobicContact CZ3-CG 4.41Å
159I98.9Very high97Very high1 Ų137.9 Ų37.91%0.00519%0.185CC..Hα-helixtrans-58.5-49.4174.5-69.3164.4000110.2S155 Y157 R162 M163 V234 F235 A238 V272S155-I159 WeakPolarHBondContact O-CG1 3.4Å; S155-I159 PolarHBondContact O-N 3.45Å; Y157-I159 PolarHBondContact O-N 3.22Å; I159-R162 PolarHBondContact O-N 3.14Å; I159-M163 WeakPolarHBondContact O-CG 3.15Å; I159-M163 PolarHBondContact O-N 3.11Å; I159-V234 HydrophobicContact CB-CG1 4.48Å; I159-V234 HydrophobicContact CG2-CG1 4.06Å; I159-F235 HydrophobicContact CD1-CD1 4.03Å; I159-F235 HydrophobicContact CD1-CE1 3.85Å; I159-F235 HydrophobicContact CG2-CE1 4.44Å; I159-F235 HydrophobicContact CG2-CE2 4.22Å; I159-F235 HydrophobicContact CG2-CZ 4.08Å; I159-A238 HydrophobicContact CD1-CB 3.73Å; I159-A238 HydrophobicContact CG1-CB 3.73Å; I159-V272 HydrophobicContact CD1-CG1 4.08Å
160A98.7Very high97.3Very high0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-62.2-47.3-179.400000112.3A156 Y157 R162 M163 I164 V213 L216 F220A156-A160 WeakPolarHBondContact O-CB 3.27Å; A156-A160 PolarHBondContact O-N 3.37Å; Y157-A160 PolarHBondContact O-N 3.42Å; A160-R162 VanDerWaalsContact C-N 3.3Å; A160-R162 PolarHBondContact O-N 3.41Å; A160-M163 PolarHBondContact O-N 3.04Å; A160-I164 WeakPolarHBondContact O-CG1 3.33Å; A160-I164 PolarHBondContact O-N 3.31Å; A160-I164 VanDerWaalsContact O-N 3.08Å; A160-V213 HydrophobicContact CB-CG1 4.17Å; A160-V213 WeakPolarHBondContact CB-O 3.35Å; A160-L216 HydrophobicContact CB-CB 4.02Å; A160-L216 HydrophobicContact CB-CD2 4.34Å; A160-F220 HydrophobicContact CB-CE2 4.45Å
161Q98Very high97.4Very high41 Ų4127.2 Ų27.219%0.19213%0.13CC..Hα-helixtrans-58.2-43176.6-179.3-1766.900111.3Y157 W158 M163 I164 E165Y157-Q161 HydrophobicContact CD1-CB 4.39Å; Y157-Q161 HydrophobicContact CE1-CB 4.16Å; Y157-Q161 HydrophobicContact CE1-CG 4.48Å; Y157-Q161 VanDerWaalsContact O-CB 3.3Å; Y157-Q161 WeakPolarHBondContact O-CB 3.21Å; Y157-Q161 PolarHBondContact O-N 3.38Å; W158-Q161 PolarHBondContact O-N 3.48Å; Q161-M163 VanDerWaalsContact C-N 3.32Å; Q161-M163 PolarHBondContact O-N 3.18Å; Q161-I164 PolarHBondContact O-N 3.49Å; Q161-E165 VanDerWaalsContact CD-OE1 3.32Å; Q161-E165 HydrophobicContact CG-CG 4.31Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.35Å; Q161-E165 PolarHBondContact NE2-OE1 3.28Å; Q161-E165 WeakPolarHBondContact O-CB 3.39Å; Q161-E165 WeakPolarHBondContact O-CG 3.36Å; Q161-E165 PolarHBondContact O-N 3.4Å
162R98.2Very high98Very high56 Ų5631.3 Ų31.321%0.21115%0.149CC..Hα-helixtrans-63.3-38.5-179-73.8-88.144.290-0.7113.1W158 I159 A160 E165 K166 V234W158-R162 HydrophobicContact CD2-CG 3.89Å; W158-R162 HydrophobicContact CE3-CG 4.17Å; W158-R162 HydrophobicContact CG-CG 4.45Å; W158-R162 HydrophobicContact CH2-CG 4.04Å; W158-R162 HydrophobicContact CZ2-CG 3.76Å; W158-R162 HydrophobicContact CZ3-CG 4.23Å; W158-R162 WeakPolarHBondContact O-CB 3.14Å; W158-R162 WeakPolarHBondContact O-CG 3.26Å; W158-R162 PolarHBondContact O-N 3.23Å; I159-R162 PolarHBondContact O-N 3.14Å; A160-R162 VanDerWaalsContact C-N 3.3Å; A160-R162 PolarHBondContact O-N 3.41Å; R162-E165 IonicContact CZ-OE2 3.6Å; R162-E165 VanDerWaalsContact NH1-CD 3.34Å; R162-E165 IonicContact NH1-OE1 3.56Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; R162-E165 IonicContact NH2-OE2 3.47Å; R162-E165 PolarHBondContact NH2-OE2 2.95Å; R162-K166 WeakPolarHBondContact O-CB 3.41Å; R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.98Å; R162-K166 VanDerWaalsContact O-N 3.08Å; R162-V234 HydrophobicContact CB-CG1 3.98Å
163M98.6Very high98.1Very high1 Ų138 Ų381%0.00518%0.178CC..Hα-helixtrans-67.5-45.1175.5-66.5-68.3-80.700111.7I159 A160 Q161 K166 L167 V184 F220 I223 L230 A231 V234I159-M163 WeakPolarHBondContact O-CG 3.15Å; I159-M163 PolarHBondContact O-N 3.11Å; A160-M163 PolarHBondContact O-N 3.04Å; Q161-M163 VanDerWaalsContact C-N 3.32Å; Q161-M163 PolarHBondContact O-N 3.18Å; M163-K166 PolarHBondContact O-N 2.72Å; M163-L167 PolarHBondContact O-N 3.13Å; M163-V184 HydrophobicContact CB-CG1 4.41Å; M163-V184 HydrophobicContact CE-CB 4.24Å; M163-V184 HydrophobicContact CE-CG1 3.88Å; M163-V184 HydrophobicContact CE-CG2 3.36Å; M163-F220 HydrophobicContact CB-CD1 4.49Å; M163-F220 HydrophobicContact CB-CD2 3.96Å; M163-F220 HydrophobicContact CB-CE1 3.98Å; M163-F220 HydrophobicContact CB-CE2 3.33Å; M163-F220 HydrophobicContact CB-CG 4.49Å; M163-F220 HydrophobicContact CB-CZ 3.34Å; M163-F220 HydrophobicContact CE-CD1 3.52Å; M163-F220 HydrophobicContact CE-CE1 3.72Å; M163-F220 HydrophobicContact CE-CG 4Å; M163-F220 HydrophobicContact CE-CZ 4.33Å; M163-F220 HydrophobicContact CG-CD1 4.23Å; M163-F220 HydrophobicContact CG-CD2 3.68Å; M163-F220 HydrophobicContact CG-CE1 4.21Å; M163-F220 HydrophobicContact CG-CE2 3.62Å; M163-F220 HydrophobicContact CG-CG 3.99Å; M163-F220 HydrophobicContact CG-CZ 3.9Å; M163-I223 HydrophobicContact CE-CD1 4.43Å; M163-L230 HydrophobicContact CE-CG 4.27Å; M163-L230 HydrophobicContact SD-CD2 4.38Å; M163-L230 HydrophobicContact SD-CG 3.94Å; M163-A231 HydrophobicContact CE-CB 3.73Å; M163-V234 HydrophobicContact CG-CG1 4.28Å; M163-V234 HydrophobicContact CG-CG2 4.46Å; M163-V234 HydrophobicContact SD-CB 3.94Å; M163-V234 HydrophobicContact SD-CG1 4.32Å; M163-V234 HydrophobicContact SD-CG2 3.62Å
164I98.5Very high98.1Very high7 Ų738.3 Ų38.34%0.03618%0.183CC..Hα-helixtrans-62.8-48.1178.4-66.9167.7000110.8A160 Q161 K166 L167 I168 I188 F192 L200 F204 L216A160-I164 WeakPolarHBondContact O-CG1 3.33Å; A160-I164 PolarHBondContact O-N 3.31Å; A160-I164 VanDerWaalsContact O-N 3.08Å; Q161-I164 PolarHBondContact O-N 3.49Å; I164-K166 PolarHBondContact O-N 3.11Å; I164-L167 WeakPolarHBondContact O-CB 3.46Å; I164-L167 PolarHBondContact O-N 2.85Å; I164-I168 HydrophobicContact CG2-CD1 3.74Å; I164-I168 HydrophobicContact CG2-CG1 4.46Å; I164-I168 WeakPolarHBondContact O-CG1 3.27Å; I164-I168 PolarHBondContact O-N 3.37Å; I164-I188 HydrophobicContact CB-CD1 4.48Å; I164-I188 HydrophobicContact CG1-CD1 3.86Å; I164-I188 HydrophobicContact CG1-CG1 4.08Å; I164-I188 HydrophobicContact CG1-CG2 4.41Å; I164-F192 HydrophobicContact CD1-CE2 4.01Å; I164-L200 HydrophobicContact CG2-CD1 4.24Å; I164-F204 HydrophobicContact CD1-CE2 3.99Å; I164-F204 HydrophobicContact CD1-CZ 3.51Å; I164-L216 HydrophobicContact CD1-CD2 3.79Å; I164-L216 HydrophobicContact CG1-CD2 4.04Å
165E97.7Very high98.1Very high61 Ų6141.3 Ų41.329%0.28520%0.199SC..Hα-helixtrans-62.6-42.1179-76.4-178.3-152.400112Q161 R162 L167 I168 L169Q161-E165 VanDerWaalsContact CD-OE1 3.32Å; Q161-E165 HydrophobicContact CG-CG 4.31Å; Q161-E165 WeakPolarHBondContact CG-OE1 3.35Å; Q161-E165 PolarHBondContact NE2-OE1 3.28Å; Q161-E165 WeakPolarHBondContact O-CB 3.39Å; Q161-E165 WeakPolarHBondContact O-CG 3.36Å; Q161-E165 PolarHBondContact O-N 3.4Å; R162-E165 IonicContact CZ-OE2 3.6Å; R162-E165 VanDerWaalsContact NH1-CD 3.34Å; R162-E165 IonicContact NH1-OE1 3.56Å; R162-E165 IonicContact NH1-OE2 2.74Å; R162-E165 PolarHBondContact NH1-OE2 2.8Å; R162-E165 IonicContact NH2-OE2 3.47Å; R162-E165 PolarHBondContact NH2-OE2 2.95Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.4Å; E165-I168 PolarHBondContact O-N 3.34Å; E165-L169 WeakPolarHBondContact O-CB 3.44Å; E165-L169 WeakPolarHBondContact O-CG 3.38Å; E165-L169 PolarHBondContact O-N 3Å
166K98.2Very high97.9Very high60 Ų6048.9 Ų48.926%0.26124%0.239SC..Hα-helixtrans-63.2-37.4176.3-80.4-179.4178.3-106.10112.3R162 M163 I164 S170 L230 V234R162-K166 WeakPolarHBondContact O-CB 3.41Å; R162-K166 WeakPolarHBondContact O-CG 3.46Å; R162-K166 PolarHBondContact O-N 2.98Å; R162-K166 VanDerWaalsContact O-N 3.08Å; M163-K166 PolarHBondContact O-N 2.72Å; I164-K166 PolarHBondContact O-N 3.11Å; K166-S170 WeakPolarHBondContact O-CB 3.47Å; K166-S170 PolarHBondContact O-N 2.91Å; K166-L230 HydrophobicContact CB-CD2 4.4Å; K166-L230 HydrophobicContact CD-CD1 3.42Å; K166-L230 VanDerWaalsContact CD-CD1 3.42Å; K166-L230 HydrophobicContact CD-CD2 4.42Å; K166-V234 HydrophobicContact CD-CG2 4.4Å
167L98.5Very high97.8Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-61.1-55.1173.8175.366.6000111M163 I164 E165 L169 S170 D171 L181 R185 I188 Y189M163-L167 PolarHBondContact O-N 3.13Å; I164-L167 WeakPolarHBondContact O-CB 3.46Å; I164-L167 PolarHBondContact O-N 2.85Å; E165-L167 VanDerWaalsContact C-N 3.32Å; E165-L167 PolarHBondContact O-N 3.4Å; L167-L169 PolarHBondContact O-N 3.06Å; L167-S170 PolarHBondContact O-N 2.92Å; L167-D171 WeakPolarHBondContact CD1-OD2 3.22Å; L167-D171 WeakPolarHBondContact O-CB 3.39Å; L167-D171 PolarHBondContact O-N 3.01Å; L167-L181 HydrophobicContact CD1-CB 4.12Å; L167-L181 HydrophobicContact CD1-CD1 4.16Å; L167-R185 HydrophobicContact CD1-CB 3.91Å; L167-R185 HydrophobicContact CD1-CG 4.24Å; L167-R185 HydrophobicContact CD2-CB 4.18Å; L167-R185 HydrophobicContact CD2-CG 4.19Å; L167-I188 HydrophobicContact CB-CD1 4.17Å; L167-I188 HydrophobicContact CD2-CB 4.46Å; L167-I188 HydrophobicContact CD2-CD1 3.55Å; L167-I188 HydrophobicContact CG-CD1 4.5Å; L167-Y189 HydrophobicContact CD2-CE1 4.17Å
168I98.3Very high97.7Very high50 Ų5057.6 Ų57.626%0.25629%0.293SS..Hα-helixtrans-60.4-51.2-176-65.7171.1000110.6I164 E165 S170 D171 D172 N197 L200I164-I168 HydrophobicContact CG2-CD1 3.74Å; I164-I168 HydrophobicContact CG2-CG1 4.46Å; I164-I168 WeakPolarHBondContact O-CG1 3.27Å; I164-I168 PolarHBondContact O-N 3.37Å; E165-I168 PolarHBondContact O-N 3.34Å; I168-S170 PolarHBondContact O-N 2.87Å; I168-D171 PolarHBondContact O-N 3.37Å; I168-D172 WeakPolarHBondContact O-CB 3.34Å; I168-D172 PolarHBondContact O-N 2.73Å; I168-N197 HydrophobicContact CG1-CB 4.19Å; I168-L200 HydrophobicContact CD1-CD1 4.25Å
169L98.3Very high97.6Very high53 Ų5359.3 Ų59.328%0.27730%0.3SS..Hα-helixtrans-60.7-33.9-178.7-66.9172.7000112.5E165 L167 K173 I174 I175E165-L169 WeakPolarHBondContact O-CB 3.44Å; E165-L169 WeakPolarHBondContact O-CG 3.38Å; E165-L169 PolarHBondContact O-N 3Å; L167-L169 PolarHBondContact O-N 3.06Å; L169-K173 PolarHBondContact O-N 3.29Å; L169-I174 HydrophobicContact CB-CB 4.45Å; L169-I174 HydrophobicContact CD2-CB 4.06Å; L169-I174 HydrophobicContact CD2-CD1 3.81Å; L169-I174 HydrophobicContact CD2-CG2 3.9Å; L169-I174 PolarHBondContact O-N 2.79Å; L169-I175 HydrophobicContact CB-CD1 3.79Å; L169-I175 HydrophobicContact CB-CG1 3.78Å; L169-I175 HydrophobicContact CB-CG2 4.27Å; L169-I175 HydrophobicContact CD1-CD1 4.4Å; L169-I175 PolarHBondContact O-N 2.83Å
170S97.8Very high97.5Very high12 Ų1263.8 Ų63.88%0.08432%0.324CS..Hα-helixtrans-79.5-36.8178.8-178.50000113.2K166 L167 I168 D172 K173 T177 L181K166-S170 WeakPolarHBondContact O-CB 3.47Å; K166-S170 PolarHBondContact O-N 2.91Å; L167-S170 PolarHBondContact O-N 2.92Å; I168-S170 PolarHBondContact O-N 2.87Å; S170-D172 VanDerWaalsContact C-N 3.32Å; S170-K173 PolarHBondContact O-N 3.33Å; S170-K173 PolarHBondContact O-NZ 3.11Å; S170-T177 WeakPolarHBondContact OG-CG2 3.34Å; S170-L181 VanDerWaalsContact CB-CD1 3.46Å; S170-L181 WeakPolarHBondContact OG-CD1 3.16Å
171D97.2Very high97.4Very high45 Ų4564.3 Ų64.324%0.24133%0.327CS..Hα-helixtrans-65.4-40.7175.4-78.9-13.5000109.8L167 I168 K173 R185 N197L167-D171 WeakPolarHBondContact CD1-OD2 3.22Å; L167-D171 WeakPolarHBondContact O-CB 3.39Å; L167-D171 PolarHBondContact O-N 3.01Å; I168-D171 PolarHBondContact O-N 3.37Å; D171-K173 PolarHBondContact O-N 3.04Å; D171-R185 IonicContact OD1-CZ 2.95Å; D171-R185 IonicContact OD1-NE 3.78Å; D171-R185 IonicContact OD1-NH2 3.93Å; D171-R185 PolarHBondContact OD1-NH2 2.85Å; D171-R185 IonicContact OD2-NE 3.75Å; D171-R185 IonicContact OD2-NH2 2.79Å; D171-N197 WeakPolarHBondContact CB-ND2 3.26Å; D171-N197 PolarHBondContact OD2-ND2 2.79Å
172D97.2Very high97.4Very high100 Ų10066.8 Ų66.854%0.53534%0.341SS..THydrogen-bonded Turntrans-77.50.5177.5-70.4-10.6000114.2I168 S170 I174I168-D172 WeakPolarHBondContact O-CB 3.34Å; I168-D172 PolarHBondContact O-N 2.73Å; S170-D172 VanDerWaalsContact C-N 3.32Å; D172-I174 HydrophobicContact CB-CD1 4Å; D172-I174 HydrophobicContact CB-CG1 4.07Å; D172-I174 PolarHBondContact O-N 3.29Å
173K97.1Very high97.4Very high160 Ų16066.7 Ų66.770%0.69635%0.345SS*.THydrogen-bonded Turntrans58.424.2-178.2-49.1-59.5171.4-1560114.4L169 S170 D171L169-K173 PolarHBondContact O-N 3.29Å; S170-K173 PolarHBondContact O-N 3.33Å; S170-K173 PolarHBondContact O-NZ 3.11Å; D171-K173 PolarHBondContact O-N 3.04Å
174I98.1Very high97.4Very high113 Ų11366.6 Ų66.658%0.57935%0.345SS*.SBendtrans-72.9-35.5172.4-63.9168.7000110L169 D172L169-I174 HydrophobicContact CB-CB 4.45Å; L169-I174 HydrophobicContact CD2-CB 4.06Å; L169-I174 HydrophobicContact CD2-CD1 3.81Å; L169-I174 HydrophobicContact CD2-CG2 3.9Å; L169-I174 PolarHBondContact O-N 2.79Å; D172-I174 HydrophobicContact CB-CD1 4Å; D172-I174 HydrophobicContact CB-CG1 4.07Å; D172-I174 PolarHBondContact O-N 3.29Å
175I96.9Very high97.4Very high62 Ų6268.9 Ų68.932%0.31835%0.353SS..SBendtrans-122.9146.7172.268.8178.7000110.7L169L169-I175 HydrophobicContact CB-CD1 3.79Å; L169-I175 HydrophobicContact CB-CG1 3.78Å; L169-I175 HydrophobicContact CB-CG2 4.27Å; L169-I175 HydrophobicContact CD1-CD1 4.4Å; L169-I175 PolarHBondContact O-N 2.83Å
176D95.7Very high97.4Very high159 Ų15973.5 Ų73.585%0.8537%0.368SS*.  trans-83146.7164.8-67.7-48.3000110.3
177T95.5Very high97.4Very high55 Ų5571.5 Ų71.534%0.33736%0.361SS..  trans-147.3145.9172.8-165.90000111.8S170 Y179 L181S170-T177 WeakPolarHBondContact OG-CG2 3.34Å; T177-Y179 WeakPolarHBondContact OG1-CD2 3.36Å; T177-Y179 PolarHBondContact OG1-N 2.97Å; T177-L181 HydrophobicContact CG2-CD1 4.2Å; T177-L181 HydrophobicContact CG2-CG 4.43Å
178T95.1Very high97.5Very high142 Ų14271.5 Ų71.587%0.87136%0.361SS*.  trans-92.5-9.4173.255.20000112.6
179Y96.6Very high97.5Very high67 Ų6771.2 Ų71.226%0.26336%0.357SS..SBendtrans-72.9141178.7-56.4-64.6000111.1T177 P229 L230 D233T177-Y179 WeakPolarHBondContact OG1-CD2 3.36Å; T177-Y179 PolarHBondContact OG1-N 2.97Å; Y179-P229 HydrophobicContact CD1-CB 3.87Å; Y179-P229 HydrophobicContact CD1-CG 3.84Å; Y179-P229 HydrophobicContact CE1-CB 4.02Å; Y179-P229 HydrophobicContact CE1-CG 4.49Å; Y179-L230 HydrophobicContact CD1-CB 4.17Å; Y179-L230 HydrophobicContact CD2-CB 4.06Å; Y179-L230 HydrophobicContact CD2-CD1 3.97Å; Y179-L230 HydrophobicContact CD2-CG 4.43Å; Y179-L230 HydrophobicContact CE2-CD1 4.07Å; Y179-L230 HydrophobicContact CG-CB 3.85Å; Y179-D233 WeakPolarHBondContact CE1-OD2 3.17Å; Y179-D233 PolarHBondContact OH-OD2 2.62Å
180N96.6Very high97.5Very high96 Ų9672.3 Ų72.351%0.51337%0.373SS..  trans-74.7124.4162.1-178.5-34.1000108.6D182N180-D182 PolarHBondContact ND2-OD2 3.45Å; N180-D182 WeakPolarHBondContact OD1-CB 3.32Å; N180-D182 PolarHBondContact OD1-N 2.92Å; N180-D182 PolarHBondContact OD1-OD2 2.89Å; N180-D182 VanDerWaalsContact OD1-OD2 3.13Å
181L97.6Very high97.5Very high11 Ų1174.9 Ų74.96%0.05838%0.382CS..  trans-97.23.1-176.2-58.1-178.4000114.3L167 S170 T177 N183 V184 R185 L230L167-L181 HydrophobicContact CD1-CB 4.12Å; L167-L181 HydrophobicContact CD1-CD1 4.16Å; S170-L181 VanDerWaalsContact CB-CD1 3.46Å; S170-L181 WeakPolarHBondContact OG-CD1 3.16Å; T177-L181 HydrophobicContact CG2-CD1 4.2Å; T177-L181 HydrophobicContact CG2-CG 4.43Å; L181-N183 PolarHBondContact O-N 3.04Å; L181-V184 PolarHBondContact O-N 3.19Å; L181-R185 WeakPolarHBondContact O-CB 3.34Å; L181-R185 PolarHBondContact O-N 2.86Å; L181-L230 HydrophobicContact CD2-CD2 3.42Å; L181-L230 VanDerWaalsContact CD2-CD2 3.42Å
182D97.8Very high97.6Very high92 Ų9273.1 Ų73.149%0.49237%0.372SS..Hα-helixtrans-62.6-41.5-172-65-21.8000112.6N180 R185 R186N180-D182 PolarHBondContact ND2-OD2 3.45Å; N180-D182 WeakPolarHBondContact OD1-CB 3.32Å; N180-D182 PolarHBondContact OD1-N 2.92Å; N180-D182 PolarHBondContact OD1-OD2 2.89Å; N180-D182 VanDerWaalsContact OD1-OD2 3.13Å; D182-R185 IonicContact OD1-NH1 2.78Å; D182-R185 PolarHBondContact OD1-NH1 2.95Å; D182-R186 WeakPolarHBondContact O-CB 3.34Å; D182-R186 PolarHBondContact O-N 3Å
183N98Very high97.6Very high54 Ų5475.4 Ų75.429%0.28938%0.384SS..Hα-helixtrans-64.5-45.2175.1-76.2-35.7000111.8L181 R186 V187 I223 D228L181-N183 PolarHBondContact O-N 3.04Å; N183-R186 PolarHBondContact O-N 3.43Å; N183-R186 PolarHBondContact OD1-NH2 3.3Å; N183-V187 WeakPolarHBondContact O-CB 3.31Å; N183-V187 WeakPolarHBondContact O-CG2 3.5Å; N183-V187 PolarHBondContact O-N 2.74Å; N183-I223 HydrophobicContact CB-CD1 4.19Å; N183-D228 WeakPolarHBondContact CB-OD2 3.28Å; N183-D228 PolarHBondContact ND2-OD2 2.87Å
184V98.4Very high97.7Very high0 Ų068.4 Ų68.40%036%0.355CS..Hα-helixtrans-63.2-48.3-179.5175.90000110.5M163 L181 V187 I188 F220 I223 L230M163-V184 HydrophobicContact CB-CG1 4.41Å; M163-V184 HydrophobicContact CE-CB 4.24Å; M163-V184 HydrophobicContact CE-CG1 3.88Å; M163-V184 HydrophobicContact CE-CG2 3.36Å; L181-V184 PolarHBondContact O-N 3.19Å; V184-V187 PolarHBondContact O-N 3.13Å; V184-I188 HydrophobicContact CG1-CD1 3.67Å; V184-I188 WeakPolarHBondContact O-CG1 3.29Å; V184-I188 PolarHBondContact O-N 3.46Å; V184-F220 HydrophobicContact CG1-CE1 4.04Å; V184-F220 HydrophobicContact CG1-CZ 4.45Å; V184-I223 HydrophobicContact CG2-CD1 3.98Å; V184-L230 HydrophobicContact CG2-CD2 4.13Å
185R98.5Very high97.6Very high55 Ų5570.9 Ų70.921%0.20836%0.364CS..Hα-helixtrans-57.5-50.8175-169.9-180-57.698.30.2111.6L167 D171 L181 D182 V187 I188 Y189L167-R185 HydrophobicContact CD1-CB 3.91Å; L167-R185 HydrophobicContact CD1-CG 4.24Å; L167-R185 HydrophobicContact CD2-CB 4.18Å; L167-R185 HydrophobicContact CD2-CG 4.19Å; D171-R185 IonicContact OD1-CZ 2.95Å; D171-R185 IonicContact OD1-NE 3.78Å; D171-R185 IonicContact OD1-NH2 3.93Å; D171-R185 PolarHBondContact OD1-NH2 2.85Å; D171-R185 IonicContact OD2-NE 3.75Å; D171-R185 IonicContact OD2-NH2 2.79Å; L181-R185 WeakPolarHBondContact O-CB 3.34Å; L181-R185 PolarHBondContact O-N 2.86Å; D182-R185 IonicContact OD1-NH1 2.78Å; D182-R185 PolarHBondContact OD1-NH1 2.95Å; R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 3.17Å; R185-I188 PolarHBondContact O-N 3.27Å; R185-Y189 HydrophobicContact CG-CD1 4.22Å; R185-Y189 HydrophobicContact CG-CD2 3.86Å; R185-Y189 HydrophobicContact CG-CE1 3.94Å; R185-Y189 HydrophobicContact CG-CE2 3.55Å; R185-Y189 HydrophobicContact CG-CG 4.17Å; R185-Y189 VanDerWaalsContact O-CB 3.29Å; R185-Y189 WeakPolarHBondContact O-CB 3.46Å; R185-Y189 PolarHBondContact O-N 3.43Å
186R98.5Very high97.7Very high157 Ų15770.8 Ų70.859%0.59236%0.364SS*.Hα-helixtrans-57.1-43.9177.6178.517860.1164.7-5112D182 N183 A190D182-R186 WeakPolarHBondContact O-CB 3.34Å; D182-R186 PolarHBondContact O-N 3Å; N183-R186 PolarHBondContact O-N 3.43Å; N183-R186 PolarHBondContact OD1-NH2 3.3Å; R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 2.95Å
187V98.6Very high97.8Very high19 Ų1964.4 Ų64.412%0.11533%0.33CS..Hα-helixtrans-64-47.8178.4163.90000111.3N183 V184 R185 Y191 L216 H219 F220 I223N183-V187 WeakPolarHBondContact O-CB 3.31Å; N183-V187 WeakPolarHBondContact O-CG2 3.5Å; N183-V187 PolarHBondContact O-N 2.74Å; V184-V187 PolarHBondContact O-N 3.13Å; R185-V187 VanDerWaalsContact C-N 3.31Å; R185-V187 PolarHBondContact O-N 3.17Å; V187-Y191 VanDerWaalsContact O-CB 3.23Å; V187-Y191 WeakPolarHBondContact O-CB 3.47Å; V187-Y191 PolarHBondContact O-N 2.83Å; V187-L216 HydrophobicContact CG1-CD1 3.82Å; V187-H219 HydrophobicContact CG1-CB 3.51Å; V187-F220 HydrophobicContact CB-CE1 4.14Å; V187-F220 HydrophobicContact CG1-CD1 3.86Å; V187-F220 HydrophobicContact CG1-CE1 3.62Å; V187-F220 HydrophobicContact CG1-CZ 4.3Å; V187-I223 HydrophobicContact CG2-CD1 4.4Å; V187-I223 HydrophobicContact CG2-CG2 3.81Å
188I98.8Very high97.8Very high0 Ų067.9 Ų67.90%035%0.346CS..Hα-helixtrans-62.5-51.3179.8-68.8163.4000110.5I164 L167 V184 R185 A190 Y191 F192 L200 L216 F220I164-I188 HydrophobicContact CB-CD1 4.48Å; I164-I188 HydrophobicContact CG1-CD1 3.86Å; I164-I188 HydrophobicContact CG1-CG1 4.08Å; I164-I188 HydrophobicContact CG1-CG2 4.41Å; L167-I188 HydrophobicContact CB-CD1 4.17Å; L167-I188 HydrophobicContact CD2-CB 4.46Å; L167-I188 HydrophobicContact CD2-CD1 3.55Å; L167-I188 HydrophobicContact CG-CD1 4.5Å; V184-I188 HydrophobicContact CG1-CD1 3.67Å; V184-I188 WeakPolarHBondContact O-CG1 3.29Å; V184-I188 PolarHBondContact O-N 3.46Å; R185-I188 PolarHBondContact O-N 3.27Å; I188-A190 PolarHBondContact O-N 2.78Å; I188-Y191 PolarHBondContact O-N 2.92Å; I188-F192 HydrophobicContact CG2-CD2 4.07Å; I188-F192 WeakPolarHBondContact O-CD2 3.16Å; I188-F192 PolarHBondContact O-N 3.19Å; I188-L200 HydrophobicContact CG2-CD1 4.06Å; I188-L200 HydrophobicContact CG2-CD2 3.86Å; I188-L216 HydrophobicContact CG1-CD2 4.03Å; I188-F220 HydrophobicContact CD1-CZ 3.98Å; I188-F220 HydrophobicContact CG1-CE1 4.17Å; I188-F220 HydrophobicContact CG1-CZ 3.62Å
189Y98.7Very high98Very high43 Ų4364.8 Ų64.817%0.16932%0.321CS..Hα-helixtrans-65.5-42.1-175-7513.4000111.6L167 R185 N193 V194 E195 N196 N197L167-Y189 HydrophobicContact CD2-CE1 4.17Å; R185-Y189 HydrophobicContact CG-CD1 4.22Å; R185-Y189 HydrophobicContact CG-CD2 3.86Å; R185-Y189 HydrophobicContact CG-CE1 3.94Å; R185-Y189 HydrophobicContact CG-CE2 3.55Å; R185-Y189 HydrophobicContact CG-CG 4.17Å; R185-Y189 VanDerWaalsContact O-CB 3.29Å; R185-Y189 WeakPolarHBondContact O-CB 3.46Å; R185-Y189 PolarHBondContact O-N 3.43Å; Y189-N193 WeakPolarHBondContact O-CA 3.48Å; Y189-N193 PolarHBondContact O-N 2.86Å; Y189-V194 VanDerWaalsContact CB-O 3.26Å; Y189-V194 WeakPolarHBondContact CB-O 3.22Å; Y189-V194 HydrophobicContact CD1-CG2 3.8Å; Y189-V194 HydrophobicContact CE1-CG2 4.45Å; Y189-V194 HydrophobicContact CG-CG2 4.16Å; Y189-V194 PolarHBondContact O-N 2.94Å; Y189-E195 WeakPolarHBondContact CE2-O 3.41Å; Y189-N196 WeakPolarHBondContact OH-CA 3.18Å; Y189-N197 WeakPolarHBondContact CE1-OD1 3.22Å; Y189-N197 PolarHBondContact OH-N 2.75Å; Y189-N197 PolarHBondContact OH-OD1 3.46Å; Y189-N197 VanDerWaalsContact OH-OD1 3.07Å
190A98.6Very high98Very high76 Ų7661.8 Ų61.863%0.62831%0.31SS*.Hα-helixtrans-66.8-38.1175.400000112.7R186 I188R186-A190 WeakPolarHBondContact O-CB 3.49Å; R186-A190 PolarHBondContact O-N 2.95Å; I188-A190 PolarHBondContact O-N 2.78Å
191Y98.5Very high98Very high67 Ų6761.4 Ų61.426%0.26331%0.307SS..Hα-helixtrans-68.7-41-178.8-174.8-95.5000112.7V187 I188 K212 L216 H219V187-Y191 VanDerWaalsContact O-CB 3.23Å; V187-Y191 WeakPolarHBondContact O-CB 3.47Å; V187-Y191 PolarHBondContact O-N 2.83Å; I188-Y191 PolarHBondContact O-N 2.92Å; Y191-K212 HydrophobicContact CE1-CG 4.1Å; Y191-K212 WeakPolarHBondContact CE1-O 3.34Å; Y191-K212 PolarHBondContact OH-O 3.41Å; Y191-L216 VanDerWaalsContact CB-CD1 3.45Å; Y191-L216 HydrophobicContact CD1-CB 4.25Å; Y191-L216 HydrophobicContact CD1-CD1 3.73Å; Y191-L216 HydrophobicContact CD2-CD1 3.98Å; Y191-L216 HydrophobicContact CE1-CB 4.23Å; Y191-L216 HydrophobicContact CE1-CD1 4.49Å; Y191-L216 HydrophobicContact CG-CD1 3.44Å; Y191-L216 VanDerWaalsContact CG-CD1 3.44Å; Y191-H219 AromaticContact CD2-CD2 3.58Å; Y191-H219 AromaticContact CD2-NE2 3.44Å; Y191-H219 WeakPolarHBondContact CD2-NE2 3.13Å; Y191-H219 AromaticContact CE2-CD2 3.77Å; Y191-H219 AromaticContact CE2-NE2 3.58Å
192F98.1Very high98Very high8 Ų865 Ų654%0.03532%0.324CS..Hα-helixtrans-89.5-10.7178.3-72.5-66.4000113.6I164 I188 V194 L200 H203 F204 K212 V213 L216I164-F192 HydrophobicContact CD1-CE2 4.01Å; I188-F192 HydrophobicContact CG2-CD2 4.07Å; I188-F192 WeakPolarHBondContact O-CD2 3.16Å; I188-F192 PolarHBondContact O-N 3.19Å; F192-V194 HydrophobicContact CB-CG1 4.05Å; F192-V194 HydrophobicContact CB-CG2 4.15Å; F192-L200 HydrophobicContact CB-CD2 4.02Å; F192-L200 HydrophobicContact CD2-CD2 3.62Å; F192-L200 HydrophobicContact CE2-CD2 4.33Å; F192-L200 HydrophobicContact CG-CD2 3.97Å; F192-H203 HydrophobicContact CD1-CB 3.82Å; F192-H203 AromaticContact CD1-CD2 3.46Å; F192-H203 VanDerWaalsContact CD1-CD2 3.46Å; F192-H203 WeakPolarHBondContact CD1-CD2 3.1Å; F192-H203 AromaticContact CD1-CG 3.52Å; F192-H203 HydrophobicContact CE1-CB 3.91Å; F192-H203 AromaticContact CG-CD2 3.79Å; F192-H203 PolarHBondContact O-NE2 3.08Å; F192-H203 VanDerWaalsContact O-NE2 3.09Å; F192-F204 HydrophobicContact CE2-CE2 4.37Å; F192-F204 HydrophobicContact CZ-CE2 4.14Å; F192-F204 HydrophobicContact CZ-CZ 4.39Å; F192-K212 HydrophobicContact CE1-CD 4.39Å; F192-K212 HydrophobicContact CE1-CG 4.34Å; F192-V213 HydrophobicContact CZ-CG2 4.5Å; F192-L216 HydrophobicContact CE2-CD2 4.04Å
193N97.8Very high97.9Very high147 Ų14761.7 Ų61.779%0.78631%0.305SS*.THydrogen-bonded Turntrans56.457.4-173.2-172.367.2000111.8Y189Y189-N193 WeakPolarHBondContact O-CA 3.48Å; Y189-N193 PolarHBondContact O-N 2.86Å
194V98.4Very high97.8Very high14 Ų1461.7 Ų61.79%0.08530%0.303CS..  trans-127.7155.7-179.8-61.60000111.1Y189 F192 E199 L200Y189-V194 VanDerWaalsContact CB-O 3.26Å; Y189-V194 WeakPolarHBondContact CB-O 3.22Å; Y189-V194 HydrophobicContact CD1-CG2 3.8Å; Y189-V194 HydrophobicContact CE1-CG2 4.45Å; Y189-V194 HydrophobicContact CG-CG2 4.16Å; Y189-V194 PolarHBondContact O-N 2.94Å; F192-V194 HydrophobicContact CB-CG1 4.05Å; F192-V194 HydrophobicContact CB-CG2 4.15Å; V194-E199 VanDerWaalsContact CA-OE2 3.27Å; V194-E199 WeakPolarHBondContact CA-OE2 3.2Å; V194-E199 HydrophobicContact CB-CB 3.7Å; V194-E199 WeakPolarHBondContact CB-OE2 3.38Å; V194-E199 HydrophobicContact CG1-CB 3.61Å; V194-L200 HydrophobicContact CG2-CD2 3.74Å; V194-L200 HydrophobicContact CG2-CG 4.25Å
195E97.5Very high97.6Very high164 Ų16470 Ų7077%0.76634%0.336SS*.SBendtrans-102.2-16.5-179.6-62.7-172.7174.900113.4Y189 E199Y189-E195 WeakPolarHBondContact CE2-O 3.41Å; E195-E199 PolarHBondContact N-OE2 3.01Å
196N97.9Very high97.4Very high60 Ų6072.3 Ų72.332%0.32136%0.356SS..SBendtrans-153.2167.1-177.660.274.9000112.1Y189 L198 E199Y189-N196 WeakPolarHBondContact OH-CA 3.18Å; N196-L198 VanDerWaalsContact C-N 3.26Å; N196-L198 PolarHBondContact O-N 3.08Å; N196-L198 VanDerWaalsContact OD1-CB 3.32Å; N196-L198 WeakPolarHBondContact OD1-CB 3.09Å; N196-L198 PolarHBondContact OD1-N 2.81Å; N196-E199 PolarHBondContact ND2-OE1 3.14Å; N196-E199 PolarHBondContact O-N 2.9Å; N196-E199 PolarHBondContact OD1-N 3.23Å
197N97.3Very high97.3Very high26 Ų2668.6 Ų68.614%0.13935%0.348CS..G310 helixtrans-63-27.7-178.3-69.5-29000113.6I168 D171 Y189 L200I168-N197 HydrophobicContact CG1-CB 4.19Å; D171-N197 WeakPolarHBondContact CB-ND2 3.26Å; D171-N197 PolarHBondContact OD2-ND2 2.79Å; Y189-N197 WeakPolarHBondContact CE1-OD1 3.22Å; Y189-N197 PolarHBondContact OH-N 2.75Å; Y189-N197 PolarHBondContact OH-OD1 3.46Å; Y189-N197 VanDerWaalsContact OH-OD1 3.07Å; N197-L200 WeakPolarHBondContact O-CB 3.17Å; N197-L200 PolarHBondContact O-N 2.92Å
198L97.1Very high97.1Very high127 Ų12771.4 Ų71.467%0.66536%0.359SS*.G310 helixtrans-70-34.8-177.7-172.167.5000111.7N196 L200 L201N196-L198 VanDerWaalsContact C-N 3.26Å; N196-L198 PolarHBondContact O-N 3.08Å; N196-L198 VanDerWaalsContact OD1-CB 3.32Å; N196-L198 WeakPolarHBondContact OD1-CB 3.09Å; N196-L198 PolarHBondContact OD1-N 2.81Å; L198-L200 PolarHBondContact O-N 2.98Å; L198-L201 HydrophobicContact CD1-CD1 3.54Å; L198-L201 HydrophobicContact CD1-CG 4.41Å; L198-L201 HydrophobicContact CG-CD1 4.35Å; L198-L201 WeakPolarHBondContact O-CB 3.41Å; L198-L201 VanDerWaalsContact O-CG 3.23Å; L198-L201 WeakPolarHBondContact O-CG 3.45Å; L198-L201 PolarHBondContact O-N 3.09Å; L198-L201 VanDerWaalsContact O-N 3.14Å
199E98Very high96.8Very high78 Ų7873 Ų7336%0.36437%0.37SS..G310 helixtrans-66.4-19.8177-74.5169.6-151.800113.2V194 E195 N196 L201 Q202V194-E199 VanDerWaalsContact CA-OE2 3.27Å; V194-E199 WeakPolarHBondContact CA-OE2 3.2Å; V194-E199 HydrophobicContact CB-CB 3.7Å; V194-E199 WeakPolarHBondContact CB-OE2 3.38Å; V194-E199 HydrophobicContact CG1-CB 3.61Å; E195-E199 PolarHBondContact N-OE2 3.01Å; N196-E199 PolarHBondContact ND2-OE1 3.14Å; N196-E199 PolarHBondContact O-N 2.9Å; N196-E199 PolarHBondContact OD1-N 3.23Å; E199-L201 PolarHBondContact O-N 3.47Å; E199-Q202 PolarHBondContact O-N 2.68Å
200L97.6Very high96.5Very high4 Ų471.9 Ų71.92%0.02137%0.365CS..Hα-helixtrans-61-25.8172.8-64.2172.6000112.2I164 I168 I188 F192 V194 N197 L198 Q202 H203 F204I164-L200 HydrophobicContact CG2-CD1 4.24Å; I168-L200 HydrophobicContact CD1-CD1 4.25Å; I188-L200 HydrophobicContact CG2-CD1 4.06Å; I188-L200 HydrophobicContact CG2-CD2 3.86Å; F192-L200 HydrophobicContact CB-CD2 4.02Å; F192-L200 HydrophobicContact CD2-CD2 3.62Å; F192-L200 HydrophobicContact CE2-CD2 4.33Å; F192-L200 HydrophobicContact CG-CD2 3.97Å; V194-L200 HydrophobicContact CG2-CD2 3.74Å; V194-L200 HydrophobicContact CG2-CG 4.25Å; N197-L200 WeakPolarHBondContact O-CB 3.17Å; N197-L200 PolarHBondContact O-N 2.92Å; L198-L200 PolarHBondContact O-N 2.98Å; L200-Q202 PolarHBondContact O-N 2.97Å; L200-H203 PolarHBondContact O-N 2.92Å; L200-F204 HydrophobicContact CB-CD2 4.43Å; L200-F204 WeakPolarHBondContact O-CD2 3.36Å; L200-F204 PolarHBondContact O-N 2.99Å
201L96.6Very high96.2Very high87 Ų8771.8 Ų71.846%0.45535%0.354SS..Hα-helixtrans-54.3-38.6179.8-66.8179.1000112.2L198 E199 H203 F204 Y205L198-L201 HydrophobicContact CD1-CD1 3.54Å; L198-L201 HydrophobicContact CD1-CG 4.41Å; L198-L201 HydrophobicContact CG-CD1 4.35Å; L198-L201 WeakPolarHBondContact O-CB 3.41Å; L198-L201 VanDerWaalsContact O-CG 3.23Å; L198-L201 WeakPolarHBondContact O-CG 3.45Å; L198-L201 PolarHBondContact O-N 3.09Å; L198-L201 VanDerWaalsContact O-N 3.14Å; E199-L201 PolarHBondContact O-N 3.47Å; L201-H203 PolarHBondContact O-N 2.86Å; L201-F204 PolarHBondContact O-N 3.41Å; L201-F204 VanDerWaalsContact O-N 3.14Å; L201-Y205 HydrophobicContact CB-CD2 4.36Å; L201-Y205 HydrophobicContact CD2-CD2 4.19Å; L201-Y205 HydrophobicContact CD2-CE2 3.74Å; L201-Y205 WeakPolarHBondContact O-CB 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.3Å; L201-Y205 PolarHBondContact O-N 2.57Å
202Q96.6Very high96Very high87 Ų8771.8 Ų71.841%0.40736%0.356SS..Hα-helixtrans-57.6-37.9178179.16318.500111.9E199 L200 T206 D207E199-Q202 PolarHBondContact O-N 2.68Å; L200-Q202 PolarHBondContact O-N 2.97Å; Q202-T206 PolarHBondContact O-N 3.42Å; Q202-T206 PolarHBondContact OE1-OG1 3.42Å; Q202-D207 WeakPolarHBondContact CG-OD2 3.3Å; Q202-D207 PolarHBondContact NE2-OD1 2.99Å; Q202-D207 PolarHBondContact NE2-OD2 2.76Å; Q202-D207 PolarHBondContact O-N 2.69Å
203H97Very high96Very high22 Ų2271.5 Ų71.510%0.10236%0.355CS..Hα-helixtrans-83.3-15.9-179.3-60.6-53.3000114.8F192 L200 L201 F208 K212F192-H203 HydrophobicContact CD1-CB 3.82Å; F192-H203 AromaticContact CD1-CD2 3.46Å; F192-H203 VanDerWaalsContact CD1-CD2 3.46Å; F192-H203 WeakPolarHBondContact CD1-CD2 3.1Å; F192-H203 AromaticContact CD1-CG 3.52Å; F192-H203 HydrophobicContact CE1-CB 3.91Å; F192-H203 AromaticContact CG-CD2 3.79Å; F192-H203 PolarHBondContact O-NE2 3.08Å; F192-H203 VanDerWaalsContact O-NE2 3.09Å; L200-H203 PolarHBondContact O-N 2.92Å; L201-H203 PolarHBondContact O-N 2.86Å; H203-F208 WeakPolarHBondContact O-CA 3.32Å; H203-K212 PolarHBondContact CE1-NZ 2.78Å; H203-K212 PolarHBondContact ND1-NZ 3.3Å
204F95.9Very high96Very high54 Ų5464.8 Ų64.824%0.23732%0.319CS..Hα-helixtrans-104.6-6.3178.6-77.4-89.4000113.3I164 F192 L200 L201 V213I164-F204 HydrophobicContact CD1-CE2 3.99Å; I164-F204 HydrophobicContact CD1-CZ 3.51Å; F192-F204 HydrophobicContact CE2-CE2 4.37Å; F192-F204 HydrophobicContact CZ-CE2 4.14Å; F192-F204 HydrophobicContact CZ-CZ 4.39Å; L200-F204 HydrophobicContact CB-CD2 4.43Å; L200-F204 WeakPolarHBondContact O-CD2 3.36Å; L200-F204 PolarHBondContact O-N 2.99Å; L201-F204 PolarHBondContact O-N 3.41Å; L201-F204 VanDerWaalsContact O-N 3.14Å; F204-V213 HydrophobicContact CD1-CG2 4.48Å; F204-V213 HydrophobicContact CE1-CG1 4.02Å; F204-V213 HydrophobicContact CE1-CG2 3.74Å; F204-V213 HydrophobicContact CZ-CG1 3.98Å; F204-V213 HydrophobicContact CZ-CG2 3.77Å
205Y93.9Very high95.9Very high176 Ų17665.4 Ų65.469%0.6933%0.329SS*.THydrogen-bonded Turntrans-120.2-79.4174.9-72.5-96.1000111.4L201L201-Y205 HydrophobicContact CB-CD2 4.36Å; L201-Y205 HydrophobicContact CD2-CD2 4.19Å; L201-Y205 HydrophobicContact CD2-CE2 3.74Å; L201-Y205 WeakPolarHBondContact O-CB 3.29Å; L201-Y205 WeakPolarHBondContact O-CD2 3.3Å; L201-Y205 PolarHBondContact O-N 2.57Å
206T94.3Very high95.9Very high103 Ų10357.6 Ų57.663%0.63229%0.292SS*.THydrogen-bonded Turntrans-68.7-48.6-170.3-47.90000112.5Q202 F208Q202-T206 PolarHBondContact O-N 3.42Å; Q202-T206 PolarHBondContact OE1-OG1 3.42Å; T206-F208 VanDerWaalsContact C-N 3.33Å
207D95Very high96Very high79 Ų7955.2 Ų55.242%0.42228%0.28SS..THydrogen-bonded Turntrans-101.128.2-175.3-56.1-26.1000111.4Q202 S209Q202-D207 WeakPolarHBondContact CG-OD2 3.3Å; Q202-D207 PolarHBondContact NE2-OD1 2.99Å; Q202-D207 PolarHBondContact NE2-OD2 2.76Å; Q202-D207 PolarHBondContact O-N 2.69Å; D207-S209 PolarHBondContact O-N 2.83Å
208F94.5Very high96Very high78 Ų7859.3 Ų59.334%0.34230%0.298SS..  trans-60.3127.6-174.7176.6-104.4000111.7H148 Y157 H203 T206 K210 V213H148-F208 AromaticContact NE2-CE1 3.93Å; H148-F208 AromaticContact NE2-CZ 3.51Å; Y157-F208 HydrophobicContact CE2-CE2 4.07Å; Y157-F208 HydrophobicContact CE2-CZ 4.14Å; H203-F208 WeakPolarHBondContact O-CA 3.32Å; T206-F208 VanDerWaalsContact C-N 3.33Å; F208-K210 HydrophobicContact CE1-CB 4.41Å; F208-K210 HydrophobicContact CZ-CB 4.18Å; F208-V213 HydrophobicContact CE2-CG2 4.35Å
209S92.6Very high96.1Very high33 Ų3356.1 Ų56.123%0.23128%0.28CS..  trans-144.1111177.2157.30000108.8D207 N211 K212 V213D207-S209 PolarHBondContact O-N 2.83Å; S209-N211 VanDerWaalsContact C-N 3.27Å; S209-N211 PolarHBondContact O-N 2.66Å; S209-N211 PolarHBondContact OG-OD1 3.23Å; S209-K212 WeakPolarHBondContact O-CB 3.09Å; S209-K212 PolarHBondContact O-N 3.11Å; S209-K212 VanDerWaalsContact O-N 3.09Å; S209-K212 WeakPolarHBondContact OG-CB 3.31Å; S209-K212 PolarHBondContact OG-N 2.78Å; S209-K212 VanDerWaalsContact OG-N 3.08Å; S209-V213 PolarHBondContact O-N 3.34Å
210K92.8Very high96.1Very high19 Ų1952.4 Ų52.48%0.08326%0.263CS..Hα-helixtrans-55.7-43-180-174.2-169.9177.6-178.90111.6T127 E152 Y157 F208 V213 A214T127-K210 HydrophobicContact CG2-CD 3.99Å; T127-K210 HydrophobicContact CG2-CG 3.84Å; E152-K210 IonicContact OE1-NZ 2.83Å; E152-K210 PolarHBondContact OE1-NZ 3.42Å; E152-K210 WeakPolarHBondContact OE2-CE 3.43Å; E152-K210 IonicContact OE2-NZ 3.42Å; E152-K210 PolarHBondContact OE2-NZ 2.84Å; Y157-K210 HydrophobicContact CD2-CG 3.77Å; Y157-K210 HydrophobicContact CE2-CG 4.23Å; Y157-K210 HydrophobicContact CG-CG 4.45Å; F208-K210 HydrophobicContact CE1-CB 4.41Å; F208-K210 HydrophobicContact CZ-CB 4.18Å; K210-V213 PolarHBondContact O-N 3.21Å; K210-A214 WeakPolarHBondContact O-CB 3.47Å; K210-A214 PolarHBondContact O-N 2.82Å
211N92.4Very high96.2Very high74 Ų7452.6 Ų52.640%0.39626%0.264SS..Hα-helixtrans-68-36.1177.657.8-44.2000112.6T127 S209 A214 G215T127-N211 HydrophobicContact CG2-CB 4.47Å; S209-N211 VanDerWaalsContact C-N 3.27Å; S209-N211 PolarHBondContact O-N 2.66Å; S209-N211 PolarHBondContact OG-OD1 3.23Å; N211-A214 PolarHBondContact O-N 3.01Å; N211-G215 PolarHBondContact O-N 2.85Å
212K95.2Very high96.3Very high68 Ų6854.6 Ų54.630%0.29627%0.266SS..Hα-helixtrans-62.9-47.9172.8-175.8179.5-179.4-174.50111.1Y191 F192 H203 S209 A214 G215Y191-K212 HydrophobicContact CE1-CG 4.1Å; Y191-K212 WeakPolarHBondContact CE1-O 3.34Å; Y191-K212 PolarHBondContact OH-O 3.41Å; F192-K212 HydrophobicContact CE1-CD 4.39Å; F192-K212 HydrophobicContact CE1-CG 4.34Å; H203-K212 PolarHBondContact CE1-NZ 2.78Å; H203-K212 PolarHBondContact ND1-NZ 3.3Å; S209-K212 WeakPolarHBondContact O-CB 3.09Å; S209-K212 PolarHBondContact O-N 3.11Å; S209-K212 VanDerWaalsContact O-N 3.09Å; S209-K212 WeakPolarHBondContact OG-CB 3.31Å; S209-K212 PolarHBondContact OG-N 2.78Å; S209-K212 VanDerWaalsContact OG-N 3.08Å; K212-A214 PolarHBondContact O-N 2.8Å; K212-G215 PolarHBondContact O-N 2.8Å; K212-G215 VanDerWaalsContact O-N 3.17Å
213V97.1Very high96.4Very high1 Ų151.1 Ų51.11%0.00625%0.25CC..Hα-helixtrans-61.2-45.9177.3178.20000111Y157 A160 F192 F204 F208 S209 K210 G215 L216Y157-V213 HydrophobicContact CD2-CB 3.79Å; Y157-V213 HydrophobicContact CD2-CG1 3.72Å; Y157-V213 HydrophobicContact CE2-CB 3.71Å; Y157-V213 HydrophobicContact CE2-CG1 3.62Å; Y157-V213 HydrophobicContact CE2-CG2 4.18Å; Y157-V213 HydrophobicContact CG-CG1 4.48Å; A160-V213 HydrophobicContact CB-CG1 4.17Å; A160-V213 WeakPolarHBondContact CB-O 3.35Å; F192-V213 HydrophobicContact CZ-CG2 4.5Å; F204-V213 HydrophobicContact CD1-CG2 4.48Å; F204-V213 HydrophobicContact CE1-CG1 4.02Å; F204-V213 HydrophobicContact CE1-CG2 3.74Å; F204-V213 HydrophobicContact CZ-CG1 3.98Å; F204-V213 HydrophobicContact CZ-CG2 3.77Å; F208-V213 HydrophobicContact CE2-CG2 4.35Å; S209-V213 PolarHBondContact O-N 3.34Å; K210-V213 PolarHBondContact O-N 3.21Å; V213-G215 PolarHBondContact O-N 2.81Å; V213-L216 VanDerWaalsContact O-CB 3.3Å; V213-L216 WeakPolarHBondContact O-CB 3.37Å; V213-L216 PolarHBondContact O-N 3.49Å
214A97.2Very high96.4Very high6 Ų650.1 Ų50.15%0.0525%0.245CC..Hα-helixtrans-61.5-30.517700000113.5T127 A156 K210 N211 K212 L216 C217T127-A214 HydrophobicContact CG2-CB 3.77Å; A156-A214 HydrophobicContact CB-CB 4Å; K210-A214 WeakPolarHBondContact O-CB 3.47Å; K210-A214 PolarHBondContact O-N 2.82Å; N211-A214 PolarHBondContact O-N 3.01Å; K212-A214 PolarHBondContact O-N 2.8Å; A214-L216 PolarHBondContact O-N 3.28Å; A214-C217 WeakPolarHBondContact O-CB 3.38Å; A214-C217 PolarHBondContact O-N 3.29Å; A214-C217 VanDerWaalsContact O-N 3.1Å
215G97.5Very high96.6Very high27 Ų2752.9 Ų52.928%0.27825%0.254SS..Hα-helixtrans-60.3-27.3177.600000113.6N211 K212 V213 C217 E218N211-G215 PolarHBondContact O-N 2.85Å; K212-G215 PolarHBondContact O-N 2.8Å; K212-G215 VanDerWaalsContact O-N 3.17Å; V213-G215 PolarHBondContact O-N 2.81Å; G215-C217 PolarHBondContact O-N 3.33Å; G215-E218 PolarHBondContact O-N 2.98Å
216L98.1Very high96.7Very high0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-62.5-26.3176.2-171.167.3000112.9A160 I164 V187 I188 Y191 F192 V213 A214 E218 H219 F220A160-L216 HydrophobicContact CB-CB 4.02Å; A160-L216 HydrophobicContact CB-CD2 4.34Å; I164-L216 HydrophobicContact CD1-CD2 3.79Å; I164-L216 HydrophobicContact CG1-CD2 4.04Å; V187-L216 HydrophobicContact CG1-CD1 3.82Å; I188-L216 HydrophobicContact CG1-CD2 4.03Å; Y191-L216 VanDerWaalsContact CB-CD1 3.45Å; Y191-L216 HydrophobicContact CD1-CB 4.25Å; Y191-L216 HydrophobicContact CD1-CD1 3.73Å; Y191-L216 HydrophobicContact CD2-CD1 3.98Å; Y191-L216 HydrophobicContact CE1-CB 4.23Å; Y191-L216 HydrophobicContact CE1-CD1 4.49Å; Y191-L216 HydrophobicContact CG-CD1 3.44Å; Y191-L216 VanDerWaalsContact CG-CD1 3.44Å; F192-L216 HydrophobicContact CE2-CD2 4.04Å; V213-L216 VanDerWaalsContact O-CB 3.3Å; V213-L216 WeakPolarHBondContact O-CB 3.37Å; V213-L216 PolarHBondContact O-N 3.49Å; A214-L216 PolarHBondContact O-N 3.28Å; L216-E218 PolarHBondContact O-N 3.42Å; L216-H219 WeakPolarHBondContact O-CB 3.48Å; L216-H219 PolarHBondContact O-N 3.28Å; L216-F220 HydrophobicContact CB-CE2 4.36Å; L216-F220 HydrophobicContact CD1-CE2 4.41Å; L216-F220 HydrophobicContact CD1-CZ 4.38Å; L216-F220 HydrophobicContact CD2-CD2 4.35Å; L216-F220 HydrophobicContact CD2-CE2 3.34Å; L216-F220 HydrophobicContact CD2-CZ 3.56Å; L216-F220 HydrophobicContact CG-CD2 3.97Å; L216-F220 HydrophobicContact CG-CE2 3.39Å; L216-F220 HydrophobicContact CG-CZ 3.77Å; L216-F220 PolarHBondContact O-N 3.1Å; L216-F220 VanDerWaalsContact O-N 3.13Å
217C98.6Very high96.9Very high10 Ų1046.8 Ų46.87%0.06824%0.242CC..Hα-helixtrans-55.4-34.7177.1-175.80000112.5A156 A214 G215 H219 F220 S221A156-C217 HydrophobicContact CB-CB 3.7Å; A214-C217 WeakPolarHBondContact O-CB 3.38Å; A214-C217 PolarHBondContact O-N 3.29Å; A214-C217 VanDerWaalsContact O-N 3.1Å; G215-C217 PolarHBondContact O-N 3.33Å; C217-H219 VanDerWaalsContact C-N 3.34Å; C217-H219 PolarHBondContact O-N 3.5Å; C217-F220 PolarHBondContact O-N 2.84Å; C217-S221 PolarHBondContact O-N 3.34Å
218E98.4Very high97Very high112 Ų11243.2 Ų43.252%0.52322%0.223SC..Hα-helixtrans-63.4-42.6177.7-174.2179165.100111.1G215 L216 F220 S221 R222G215-E218 PolarHBondContact O-N 2.98Å; L216-E218 PolarHBondContact O-N 3.42Å; E218-F220 VanDerWaalsContact C-N 3.35Å; E218-F220 PolarHBondContact O-N 3.44Å; E218-S221 WeakPolarHBondContact O-CB 3.46Å; E218-S221 PolarHBondContact O-N 3.32Å; E218-S221 PolarHBondContact O-OG 2.93Å; E218-R222 PolarHBondContact O-N 3.05Å; E218-R222 IonicContact OE1-CZ 2.7Å; E218-R222 IonicContact OE1-NE 2.75Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 3Å
219H98.6Very high97.2Very high61 Ų6142.5 Ų42.528%0.28223%0.227SC..Hα-helixtrans-66.1-38.8178-64.6-96.3000111.6V187 Y191 L216 C217 S221 R222 I223V187-H219 HydrophobicContact CG1-CB 3.51Å; Y191-H219 AromaticContact CD2-CD2 3.58Å; Y191-H219 AromaticContact CD2-NE2 3.44Å; Y191-H219 WeakPolarHBondContact CD2-NE2 3.13Å; Y191-H219 AromaticContact CE2-CD2 3.77Å; Y191-H219 AromaticContact CE2-NE2 3.58Å; L216-H219 WeakPolarHBondContact O-CB 3.48Å; L216-H219 PolarHBondContact O-N 3.28Å; C217-H219 VanDerWaalsContact C-N 3.34Å; C217-H219 PolarHBondContact O-N 3.5Å; H219-S221 VanDerWaalsContact C-N 3.32Å; H219-S221 PolarHBondContact O-N 3.01Å; H219-R222 WeakPolarHBondContact O-CB 3.5Å; H219-R222 PolarHBondContact O-N 3.33Å; H219-I223 PolarHBondContact O-N 3.24Å
220F98.8Very high97.5Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-64.9-35.9174.3-66.6-45.3000112.9A160 M163 V184 V187 I188 L216 C217 E218 R222 I223 A224 F235A160-F220 HydrophobicContact CB-CE2 4.45Å; M163-F220 HydrophobicContact CB-CD1 4.49Å; M163-F220 HydrophobicContact CB-CD2 3.96Å; M163-F220 HydrophobicContact CB-CE1 3.98Å; M163-F220 HydrophobicContact CB-CE2 3.33Å; M163-F220 HydrophobicContact CB-CG 4.49Å; M163-F220 HydrophobicContact CB-CZ 3.34Å; M163-F220 HydrophobicContact CE-CD1 3.52Å; M163-F220 HydrophobicContact CE-CE1 3.72Å; M163-F220 HydrophobicContact CE-CG 4Å; M163-F220 HydrophobicContact CE-CZ 4.33Å; M163-F220 HydrophobicContact CG-CD1 4.23Å; M163-F220 HydrophobicContact CG-CD2 3.68Å; M163-F220 HydrophobicContact CG-CE1 4.21Å; M163-F220 HydrophobicContact CG-CE2 3.62Å; M163-F220 HydrophobicContact CG-CG 3.99Å; M163-F220 HydrophobicContact CG-CZ 3.9Å; V184-F220 HydrophobicContact CG1-CE1 4.04Å; V184-F220 HydrophobicContact CG1-CZ 4.45Å; V187-F220 HydrophobicContact CB-CE1 4.14Å; V187-F220 HydrophobicContact CG1-CD1 3.86Å; V187-F220 HydrophobicContact CG1-CE1 3.62Å; V187-F220 HydrophobicContact CG1-CZ 4.3Å; I188-F220 HydrophobicContact CD1-CZ 3.98Å; I188-F220 HydrophobicContact CG1-CE1 4.17Å; I188-F220 HydrophobicContact CG1-CZ 3.62Å; L216-F220 HydrophobicContact CB-CE2 4.36Å; L216-F220 HydrophobicContact CD1-CE2 4.41Å; L216-F220 HydrophobicContact CD1-CZ 4.38Å; L216-F220 HydrophobicContact CD2-CD2 4.35Å; L216-F220 HydrophobicContact CD2-CE2 3.34Å; L216-F220 HydrophobicContact CD2-CZ 3.56Å; L216-F220 HydrophobicContact CG-CD2 3.97Å; L216-F220 HydrophobicContact CG-CE2 3.39Å; L216-F220 HydrophobicContact CG-CZ 3.77Å; L216-F220 PolarHBondContact O-N 3.1Å; L216-F220 VanDerWaalsContact O-N 3.13Å; C217-F220 PolarHBondContact O-N 2.84Å; E218-F220 VanDerWaalsContact C-N 3.35Å; E218-F220 PolarHBondContact O-N 3.44Å; F220-R222 PolarHBondContact O-N 2.85Å; F220-I223 HydrophobicContact CD1-CD1 3.92Å; F220-I223 HydrophobicContact CD1-CG1 4.43Å; F220-I223 WeakPolarHBondContact O-CG1 3.48Å; F220-I223 PolarHBondContact O-N 3.03Å; F220-A224 WeakPolarHBondContact O-CB 3.42Å; F220-A224 PolarHBondContact O-N 3.5Å; F220-F235 HydrophobicContact CB-CE2 4.02Å
221S98.7Very high97.8Very high7 Ų740.1 Ų40.15%0.04921%0.212CC..Hα-helixtrans-61.3-31.8175.182.70000112.5C217 E218 H219 R225 S275C217-S221 PolarHBondContact O-N 3.34Å; E218-S221 WeakPolarHBondContact O-CB 3.46Å; E218-S221 PolarHBondContact O-N 3.32Å; E218-S221 PolarHBondContact O-OG 2.93Å; H219-S221 VanDerWaalsContact C-N 3.32Å; H219-S221 PolarHBondContact O-N 3.01Å; S221-R225 WeakPolarHBondContact O-CG 3.48Å; S221-R225 PolarHBondContact O-N 3.27Å; S221-R225 PolarHBondContact OG-NH1 2.86Å; S221-S275 WeakPolarHBondContact CB-OG 3.18Å
222R98.7Very high98.1Very high130 Ų13041.3 Ų41.349%0.49121%0.214SC..Hα-helixtrans-70.9-47.7178.4-63.7173.1-171.7172.72.1110.6E218 H219 F220 A224 R225 T226E218-R222 PolarHBondContact O-N 3.05Å; E218-R222 IonicContact OE1-CZ 2.7Å; E218-R222 IonicContact OE1-NE 2.75Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 3Å; H219-R222 WeakPolarHBondContact O-CB 3.5Å; H219-R222 PolarHBondContact O-N 3.33Å; F220-R222 PolarHBondContact O-N 2.85Å; R222-A224 VanDerWaalsContact C-N 3.34Å; R222-A224 PolarHBondContact O-N 3.23Å; R222-R225 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-N 2.95Å; R222-T226 VanDerWaalsContact O-N 3.13Å
223I98.4Very high98.2Very high14 Ų1441.1 Ų41.17%0.07222%0.216CC..Hα-helixtrans-69-33.6179.966.6168.7000112.4M163 N183 V184 V187 H219 F220 R225 T226 G227 D228 A231M163-I223 HydrophobicContact CE-CD1 4.43Å; N183-I223 HydrophobicContact CB-CD1 4.19Å; V184-I223 HydrophobicContact CG2-CD1 3.98Å; V187-I223 HydrophobicContact CG2-CD1 4.4Å; V187-I223 HydrophobicContact CG2-CG2 3.81Å; H219-I223 PolarHBondContact O-N 3.24Å; F220-I223 HydrophobicContact CD1-CD1 3.92Å; F220-I223 HydrophobicContact CD1-CG1 4.43Å; F220-I223 WeakPolarHBondContact O-CG1 3.48Å; F220-I223 PolarHBondContact O-N 3.03Å; I223-R225 VanDerWaalsContact C-N 3.33Å; I223-R225 PolarHBondContact O-N 3.31Å; I223-T226 VanDerWaalsContact CA-OG1 3.29Å; I223-T226 WeakPolarHBondContact CA-OG1 3.39Å; I223-T226 CarbonylContact O-C 3.6Å; I223-T226 PolarHBondContact O-N 3.09Å; I223-T226 VanDerWaalsContact O-N 3.11Å; I223-T226 PolarHBondContact O-OG1 2.98Å; I223-G227 PolarHBondContact O-N 3.08Å; I223-D228 HydrophobicContact CB-CB 4.03Å; I223-D228 HydrophobicContact CD1-CB 4.14Å; I223-D228 HydrophobicContact CG1-CB 4.05Å; I223-D228 VanDerWaalsContact O-CB 3.31Å; I223-D228 WeakPolarHBondContact O-CB 3.44Å; I223-D228 PolarHBondContact O-N 2.96Å; I223-A231 HydrophobicContact CD1-CB 4.01Å; I223-A231 HydrophobicContact CG1-CB 3.81Å
224A98.7Very high98.3Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-59.2-45173.200000111.1F220 R222 T226 G227 A231 K232 F235 L278F220-A224 WeakPolarHBondContact O-CB 3.42Å; F220-A224 PolarHBondContact O-N 3.5Å; R222-A224 VanDerWaalsContact C-N 3.34Å; R222-A224 PolarHBondContact O-N 3.23Å; A224-T226 VanDerWaalsContact C-N 3.28Å; A224-T226 PolarHBondContact O-N 3.48Å; A224-G227 PolarHBondContact O-N 3.45Å; A224-A231 HydrophobicContact CB-CB 3.76Å; A224-K232 HydrophobicContact CB-CG 4.22Å; A224-K232 WeakPolarHBondContact O-CE 3.32Å; A224-F235 HydrophobicContact CB-CD2 4.02Å; A224-F235 HydrophobicContact CB-CE2 4.29Å; A224-L278 HydrophobicContact CB-CD1 3.78Å; A224-L278 HydrophobicContact CB-CD2 4.02Å
225R98.2Very high98.4Very high112 Ų11240.9 Ų40.942%0.42321%0.214SC..Hα-helixtrans-65.9-27.9175.3-71.9179.7-174.9116.9-7.9113.4S221 R222 I223 G227 K274 S275 D277 L278S221-R225 WeakPolarHBondContact O-CG 3.48Å; S221-R225 PolarHBondContact O-N 3.27Å; S221-R225 PolarHBondContact OG-NH1 2.86Å; R222-R225 PolarHBondContact O-N 3.27Å; I223-R225 VanDerWaalsContact C-N 3.33Å; I223-R225 PolarHBondContact O-N 3.31Å; R225-G227 PolarHBondContact O-N 3.48Å; R225-K274 PolarHBondContact NH2-O 3.25Å; R225-S275 PolarHBondContact NH2-OG 3.26Å; R225-D277 IonicContact CZ-OD1 3.69Å; R225-D277 IonicContact CZ-OD2 2.83Å; R225-D277 IonicContact NE-OD1 3.53Å; R225-D277 IonicContact NE-OD2 3.86Å; R225-D277 PolarHBondContact NE-OD2 3.22Å; R225-D277 IonicContact NH2-OD1 3.84Å; R225-D277 PolarHBondContact NH2-OD1 2.61Å; R225-D277 IonicContact NH2-OD2 2.76Å; R225-D277 PolarHBondContact NH2-OD2 3.14Å; R225-L278 HydrophobicContact CG-CD1 4.25Å; R225-L278 HydrophobicContact CG-CD2 3.92Å; R225-L278 HydrophobicContact CG-CG 4.37Å
226T97.4Very high98.4Very high115 Ų11543.4 Ų43.471%0.70622%0.216SC*.THydrogen-bonded Turntrans-81.40.6172.361.10000114.1R222 I223 A224R222-T226 PolarHBondContact O-N 2.95Å; R222-T226 VanDerWaalsContact O-N 3.13Å; I223-T226 VanDerWaalsContact CA-OG1 3.29Å; I223-T226 WeakPolarHBondContact CA-OG1 3.39Å; I223-T226 CarbonylContact O-C 3.6Å; I223-T226 PolarHBondContact O-N 3.09Å; I223-T226 VanDerWaalsContact O-N 3.11Å; I223-T226 PolarHBondContact O-OG1 2.98Å; A224-T226 VanDerWaalsContact C-N 3.28Å; A224-T226 PolarHBondContact O-N 3.48Å
227G97.6Very high98.5Very high36 Ų3646.6 Ų46.637%0.37123%0.232SC..THydrogen-bonded Turntrans103.79.1173.500000115.8I223 A224 R225 P229I223-G227 PolarHBondContact O-N 3.08Å; A224-G227 PolarHBondContact O-N 3.45Å; R225-G227 PolarHBondContact O-N 3.48Å; G227-P229 WeakPolarHBondContact O-CD 3.48Å
228D98.5Very high98.5Very high5 Ų546.1 Ų46.13%0.02723%0.229CC..  trans-62.1117.1176-171.5-87.1000110.7N183 I223 L230 A231 K232N183-D228 WeakPolarHBondContact CB-OD2 3.28Å; N183-D228 PolarHBondContact ND2-OD2 2.87Å; I223-D228 HydrophobicContact CB-CB 4.03Å; I223-D228 HydrophobicContact CD1-CB 4.14Å; I223-D228 HydrophobicContact CG1-CB 4.05Å; I223-D228 VanDerWaalsContact O-CB 3.31Å; I223-D228 WeakPolarHBondContact O-CB 3.44Å; I223-D228 PolarHBondContact O-N 2.96Å; D228-L230 PolarHBondContact OD1-N 2.84Å; D228-A231 HydrophobicContact CB-CB 4.03Å; D228-A231 WeakPolarHBondContact OD1-CB 3.18Å; D228-A231 PolarHBondContact OD1-N 3.26Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact O-N 3.08Å
229P98Very high98.5Very high63 Ų6340.8 Ų40.841%0.40920%0.204SC..Hα-helixtrans-69.2-39.9-170.525.8-33.9000112.3Y179 G227 K232 D233Y179-P229 HydrophobicContact CD1-CB 3.87Å; Y179-P229 HydrophobicContact CD1-CG 3.84Å; Y179-P229 HydrophobicContact CE1-CB 4.02Å; Y179-P229 HydrophobicContact CE1-CG 4.49Å; G227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-K232 PolarHBondContact O-N 3.05Å; P229-D233 VanDerWaalsContact O-CG 3.29Å; P229-D233 PolarHBondContact O-N 2.72Å
230L98.2Very high98.5Very high1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-65.5-45.1179.117256.8000111M163 K166 Y179 L181 V184 D228 K232 D233 V234M163-L230 HydrophobicContact CE-CG 4.27Å; M163-L230 HydrophobicContact SD-CD2 4.38Å; M163-L230 HydrophobicContact SD-CG 3.94Å; K166-L230 HydrophobicContact CB-CD2 4.4Å; K166-L230 HydrophobicContact CD-CD1 3.42Å; K166-L230 VanDerWaalsContact CD-CD1 3.42Å; K166-L230 HydrophobicContact CD-CD2 4.42Å; Y179-L230 HydrophobicContact CD1-CB 4.17Å; Y179-L230 HydrophobicContact CD2-CB 4.06Å; Y179-L230 HydrophobicContact CD2-CD1 3.97Å; Y179-L230 HydrophobicContact CD2-CG 4.43Å; Y179-L230 HydrophobicContact CE2-CD1 4.07Å; Y179-L230 HydrophobicContact CG-CB 3.85Å; L181-L230 HydrophobicContact CD2-CD2 3.42Å; L181-L230 VanDerWaalsContact CD2-CD2 3.42Å; V184-L230 HydrophobicContact CG2-CD2 4.13Å; D228-L230 PolarHBondContact OD1-N 2.84Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.47Å; L230-D233 PolarHBondContact O-N 3.16Å; L230-V234 HydrophobicContact CD1-CG2 3.99Å; L230-V234 WeakPolarHBondContact O-CG2 3.43Å; L230-V234 PolarHBondContact O-N 2.62Å
231A98.6Very high98.5Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-60.6-44.5177.900000111.2M163 I223 A224 D228 D233 V234 F235M163-A231 HydrophobicContact CE-CB 3.73Å; I223-A231 HydrophobicContact CD1-CB 4.01Å; I223-A231 HydrophobicContact CG1-CB 3.81Å; A224-A231 HydrophobicContact CB-CB 3.76Å; D228-A231 HydrophobicContact CB-CB 4.03Å; D228-A231 WeakPolarHBondContact OD1-CB 3.18Å; D228-A231 PolarHBondContact OD1-N 3.26Å; A231-D233 VanDerWaalsContact C-N 3.34Å; A231-D233 PolarHBondContact O-N 3.48Å; A231-V234 PolarHBondContact O-N 2.68Å; A231-F235 VanDerWaalsContact O-CD2 3.26Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 PolarHBondContact O-N 2.93Å
232K98.7Very high98.5Very high99 Ų9940 Ų4043%0.4320%0.201SC..Hα-helixtrans-56.2-47.4175.1-77.5-179.8172.8-175.40112.2A224 D228 P229 L230 V234 F235 Y236A224-K232 HydrophobicContact CB-CG 4.22Å; A224-K232 WeakPolarHBondContact O-CE 3.32Å; D228-K232 WeakPolarHBondContact O-CG 3.34Å; D228-K232 PolarHBondContact O-N 3.43Å; D228-K232 VanDerWaalsContact O-N 3.08Å; P229-K232 PolarHBondContact O-N 3.05Å; L230-K232 VanDerWaalsContact C-N 3.33Å; L230-K232 PolarHBondContact O-N 3.47Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.93Å; K232-F235 PolarHBondContact O-N 3.29Å; K232-Y236 PolarHBondContact O-N 3.09Å
233D98.6Very high98.5Very high64 Ų6433.8 Ų33.834%0.34218%0.178SC..Hα-helixtrans-65.1-37.6-178.3-69-8.8000111.9Y179 P229 L230 A231 Y236 D237Y179-D233 WeakPolarHBondContact CE1-OD2 3.17Å; Y179-D233 PolarHBondContact OH-OD2 2.62Å; P229-D233 VanDerWaalsContact O-CG 3.29Å; P229-D233 PolarHBondContact O-N 2.72Å; L230-D233 PolarHBondContact O-N 3.16Å; A231-D233 VanDerWaalsContact C-N 3.34Å; A231-D233 PolarHBondContact O-N 3.48Å; D233-Y236 WeakPolarHBondContact O-CB 3.37Å; D233-Y236 PolarHBondContact O-N 3.24Å; D233-D237 PolarHBondContact O-N 3.33Å
234V98.7Very high98.5Very high2 Ų236.4 Ų36.41%0.01219%0.19CC..Hα-helixtrans-68.4-35.9175.5174.90000112.3I159 R162 M163 K166 L230 A231 K232 D237 A238I159-V234 HydrophobicContact CB-CG1 4.48Å; I159-V234 HydrophobicContact CG2-CG1 4.06Å; R162-V234 HydrophobicContact CB-CG1 3.98Å; M163-V234 HydrophobicContact CG-CG1 4.28Å; M163-V234 HydrophobicContact CG-CG2 4.46Å; M163-V234 HydrophobicContact SD-CB 3.94Å; M163-V234 HydrophobicContact SD-CG1 4.32Å; M163-V234 HydrophobicContact SD-CG2 3.62Å; K166-V234 HydrophobicContact CD-CG2 4.4Å; L230-V234 HydrophobicContact CD1-CG2 3.99Å; L230-V234 WeakPolarHBondContact O-CG2 3.43Å; L230-V234 PolarHBondContact O-N 2.62Å; A231-V234 PolarHBondContact O-N 2.68Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 2.93Å; V234-D237 PolarHBondContact O-N 3.3Å; V234-A238 PolarHBondContact O-N 3.4Å
235F98.9Very high98.5Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-69.4-39.2172.8-84.6-82000111.9I159 F220 A224 A231 K232 D237 A238 G239 L278 I279I159-F235 HydrophobicContact CD1-CD1 4.03Å; I159-F235 HydrophobicContact CD1-CE1 3.85Å; I159-F235 HydrophobicContact CG2-CE1 4.44Å; I159-F235 HydrophobicContact CG2-CE2 4.22Å; I159-F235 HydrophobicContact CG2-CZ 4.08Å; F220-F235 HydrophobicContact CB-CE2 4.02Å; A224-F235 HydrophobicContact CB-CD2 4.02Å; A224-F235 HydrophobicContact CB-CE2 4.29Å; A231-F235 VanDerWaalsContact O-CD2 3.26Å; A231-F235 WeakPolarHBondContact O-CD2 3.38Å; A231-F235 PolarHBondContact O-N 2.93Å; K232-F235 PolarHBondContact O-N 3.29Å; F235-D237 VanDerWaalsContact C-N 3.33Å; F235-D237 PolarHBondContact O-N 3.22Å; F235-A238 WeakPolarHBondContact O-CB 3.37Å; F235-A238 PolarHBondContact O-N 2.99Å; F235-G239 PolarHBondContact O-N 3.18Å; F235-L278 HydrophobicContact CB-CB 3.69Å; F235-L278 HydrophobicContact CD1-CB 3.93Å; F235-L278 HydrophobicContact CD1-CD1 4.13Å; F235-L278 HydrophobicContact CD2-CB 4.48Å; F235-L278 HydrophobicContact CD2-CD1 3.97Å; F235-L278 HydrophobicContact CE1-CD1 4.23Å; F235-L278 HydrophobicContact CE2-CD1 4.12Å; F235-L278 HydrophobicContact CG-CB 3.79Å; F235-L278 HydrophobicContact CG-CD1 4.01Å; F235-L278 HydrophobicContact CZ-CD1 4.25Å; F235-I279 HydrophobicContact CB-CG2 4.16Å; F235-I279 HydrophobicContact CD1-CG2 3.67Å; F235-I279 HydrophobicContact CG-CG2 4.42Å; F235-I279 WeakPolarHBondContact O-CG2 3.3Å
236Y98.9Very high98.5Very high81 Ų8132 Ų3232%0.31817%0.174SC..Hα-helixtrans-55.5-50170.9179-84.4000110.5K232 D233 A238 G239 V240 D281 G282 D285K232-Y236 PolarHBondContact O-N 3.09Å; D233-Y236 WeakPolarHBondContact O-CB 3.37Å; D233-Y236 PolarHBondContact O-N 3.24Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 3.01Å; Y236-G239 WeakPolarHBondContact O-CA 3.1Å; Y236-G239 PolarHBondContact O-N 2.96Å; Y236-V240 HydrophobicContact CD1-CG2 4.06Å; Y236-V240 HydrophobicContact CE1-CG2 3.7Å; Y236-V240 PolarHBondContact O-N 2.89Å; Y236-D281 HydrophobicContact CD2-CB 4.03Å; Y236-D281 HydrophobicContact CE2-CB 4.09Å; Y236-G282 VanDerWaalsContact CD2-N 3.31Å; Y236-G282 VanDerWaalsContact CE2-N 3.33Å; Y236-D285 WeakPolarHBondContact CE2-OD2 3.44Å; Y236-D285 WeakPolarHBondContact OH-CB 3.33Å; Y236-D285 PolarHBondContact OH-OD2 3.32Å
237D98.8Very high98.4Very high66 Ų6630.8 Ų30.835%0.35316%0.157SC..Hα-helixtrans-59.7-39.9177.1-74.9-20000111.8W158 D233 V234 F235 G239 V240 Q241W158-D237 HydrophobicContact CH2-CB 3.97Å; W158-D237 HydrophobicContact CZ3-CB 4.4Å; D233-D237 PolarHBondContact O-N 3.33Å; V234-D237 PolarHBondContact O-N 3.3Å; F235-D237 VanDerWaalsContact C-N 3.33Å; F235-D237 PolarHBondContact O-N 3.22Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 3.34Å; D237-V240 WeakPolarHBondContact O-CB 3.35Å; D237-V240 PolarHBondContact O-N 3.35Å; D237-V240 VanDerWaalsContact O-N 3.16Å; D237-Q241 VanDerWaalsContact O-CG 3.31Å; D237-Q241 WeakPolarHBondContact O-CG 3.44Å; D237-Q241 PolarHBondContact O-N 2.9Å
238A98.9Very high98.4Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-60.5-39.5174.700000111.8W158 I159 V234 F235 Y236 Q241 L242 I279W158-A238 HydrophobicContact CE3-CB 4.33Å; W158-A238 HydrophobicContact CZ3-CB 3.97Å; I159-A238 HydrophobicContact CD1-CB 3.73Å; I159-A238 HydrophobicContact CG1-CB 3.73Å; V234-A238 PolarHBondContact O-N 3.4Å; F235-A238 WeakPolarHBondContact O-CB 3.37Å; F235-A238 PolarHBondContact O-N 2.99Å; Y236-A238 VanDerWaalsContact C-N 3.3Å; Y236-A238 PolarHBondContact O-N 3.01Å; A238-Q241 PolarHBondContact O-N 3.31Å; A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 3.06Å; A238-I279 HydrophobicContact CB-CG2 4.35Å
239G98.9Very high98.3Very high0 Ų030.3 Ų30.30%015%0.15CC..Hα-helixtrans-56.3-49.6170.600000112.5F235 Y236 D237 Q241 L242 A243 I279 F283F235-G239 PolarHBondContact O-N 3.18Å; Y236-G239 WeakPolarHBondContact O-CA 3.1Å; Y236-G239 PolarHBondContact O-N 2.96Å; D237-G239 VanDerWaalsContact C-N 3.28Å; D237-G239 PolarHBondContact O-N 3.34Å; G239-Q241 VanDerWaalsContact C-N 3.33Å; G239-Q241 PolarHBondContact O-N 3.12Å; G239-L242 PolarHBondContact O-N 3.37Å; G239-A243 WeakPolarHBondContact O-CB 3.41Å; G239-A243 PolarHBondContact O-N 3.16Å; G239-I279 VanDerWaalsContact CA-O 3.29Å; G239-I279 WeakPolarHBondContact CA-O 3.39Å; G239-F283 WeakPolarHBondContact O-CD2 3.39Å
240V98.8Very high98.1Very high23 Ų2327.4 Ų27.414%0.13913%0.131CC..Hα-helixtrans-58.5-44.7176.3176.40000111.2Y236 D237 L242 A243 Q244 G282 F286Y236-V240 HydrophobicContact CD1-CG2 4.06Å; Y236-V240 HydrophobicContact CE1-CG2 3.7Å; Y236-V240 PolarHBondContact O-N 2.89Å; D237-V240 WeakPolarHBondContact O-CB 3.35Å; D237-V240 PolarHBondContact O-N 3.35Å; D237-V240 VanDerWaalsContact O-N 3.16Å; V240-L242 PolarHBondContact O-N 3.48Å; V240-A243 PolarHBondContact O-N 3.46Å; V240-Q244 WeakPolarHBondContact O-CG 3.42Å; V240-Q244 PolarHBondContact O-N 3.4Å; V240-G282 WeakPolarHBondContact CG2-O 3.49Å; V240-F286 HydrophobicContact CG1-CB 4.36Å; V240-F286 HydrophobicContact CG1-CD2 3.82Å; V240-F286 HydrophobicContact CG1-CG 4.26Å
241Q98.7Very high97.9Very high28 Ų2831.4 Ų31.413%0.13115%0.149CC..Hα-helixtrans-62.4-44.8179.1-65.4-54.3-59.200111.6K153 W158 D237 A238 G239 A243 Q244 H245K153-Q241 HydrophobicContact CB-CB 3.97Å; K153-Q241 HydrophobicContact CB-CG 3.93Å; W158-Q241 HydrophobicContact CH2-CG 3.96Å; W158-Q241 HydrophobicContact CZ2-CG 4.08Å; W158-Q241 HydrophobicContact CZ3-CG 4.41Å; D237-Q241 VanDerWaalsContact O-CG 3.31Å; D237-Q241 WeakPolarHBondContact O-CG 3.44Å; D237-Q241 PolarHBondContact O-N 2.9Å; A238-Q241 PolarHBondContact O-N 3.31Å; G239-Q241 VanDerWaalsContact C-N 3.33Å; G239-Q241 PolarHBondContact O-N 3.12Å; Q241-A243 VanDerWaalsContact C-N 3.34Å; Q241-A243 PolarHBondContact O-N 3.02Å; Q241-Q244 WeakPolarHBondContact O-CB 3.3Å; Q241-Q244 PolarHBondContact O-N 2.9Å; Q241-H245 PolarHBondContact O-N 3.17Å; Q241-H245 PolarHBondContact O-ND1 2.67Å
242L98.8Very high97.7Very high0 Ų034.8 Ų34.80%016%0.162CC..Hα-helixtrans-65.8-38.3177.9-68.3176.5000111.8L123 A238 G239 V240 Q244 H245 V246 I279 F283L123-L242 HydrophobicContact CD1-CD2 4.13Å; L123-L242 HydrophobicContact CD2-CB 4.19Å; A238-L242 WeakPolarHBondContact O-CG 3.44Å; A238-L242 PolarHBondContact O-N 3.06Å; G239-L242 PolarHBondContact O-N 3.37Å; V240-L242 PolarHBondContact O-N 3.48Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-Q244 PolarHBondContact O-N 3.46Å; L242-H245 WeakPolarHBondContact O-CB 3.3Å; L242-H245 PolarHBondContact O-N 2.85Å; L242-H245 VanDerWaalsContact O-N 3.17Å; L242-V246 PolarHBondContact O-N 2.84Å; L242-V246 VanDerWaalsContact O-N 3.13Å; L242-I279 HydrophobicContact CD1-CD1 4.01Å; L242-F283 HydrophobicContact CB-CD2 3.95Å; L242-F283 HydrophobicContact CB-CE2 3.97Å
243A98.5Very high97.4Very high0 Ų030.9 Ų30.90%015%0.145CC..Hα-helixtrans-64.4-35.5174.600000113G239 V240 Q241 H245 V246 R247 F283 F286 L287G239-A243 WeakPolarHBondContact O-CB 3.41Å; G239-A243 PolarHBondContact O-N 3.16Å; V240-A243 PolarHBondContact O-N 3.46Å; Q241-A243 VanDerWaalsContact C-N 3.34Å; Q241-A243 PolarHBondContact O-N 3.02Å; A243-H245 VanDerWaalsContact C-N 3.3Å; A243-H245 PolarHBondContact O-N 2.73Å; A243-V246 PolarHBondContact O-N 2.83Å; A243-R247 PolarHBondContact O-N 3.31Å; A243-F283 HydrophobicContact CB-CB 4.4Å; A243-F283 HydrophobicContact CB-CD1 4.37Å; A243-F283 HydrophobicContact CB-CD2 3.73Å; A243-F283 HydrophobicContact CB-CE2 4.06Å; A243-F283 HydrophobicContact CB-CG 3.91Å; A243-F283 WeakPolarHBondContact CB-O 3.36Å; A243-F286 HydrophobicContact CB-CB 3.82Å; A243-F286 HydrophobicContact CB-CD1 3.67Å; A243-F286 HydrophobicContact CB-CG 4.05Å; A243-L287 HydrophobicContact CB-CD1 4.07Å; A243-L287 HydrophobicContact CB-CG 3.98Å
244Q98.1Very high96.9Very high69 Ų6928.4 Ų28.432%0.32213%0.132SC..Hα-helixtrans-60.8-38.5171.7-75.7174.3-0.900112.4V240 Q241 L242 V246 R247 A248 F286V240-Q244 WeakPolarHBondContact O-CG 3.42Å; V240-Q244 PolarHBondContact O-N 3.4Å; Q241-Q244 WeakPolarHBondContact O-CB 3.3Å; Q241-Q244 PolarHBondContact O-N 2.9Å; L242-Q244 VanDerWaalsContact C-N 3.34Å; L242-Q244 PolarHBondContact O-N 3.46Å; Q244-V246 VanDerWaalsContact C-N 3.35Å; Q244-R247 PolarHBondContact O-N 2.76Å; Q244-A248 PolarHBondContact O-N 3.2Å; Q244-F286 HydrophobicContact CB-CE1 4.26Å; Q244-F286 HydrophobicContact CB-CZ 4.34Å; Q244-F286 HydrophobicContact CG-CD1 4.15Å; Q244-F286 HydrophobicContact CG-CD2 4.16Å; Q244-F286 HydrophobicContact CG-CE1 3.58Å; Q244-F286 HydrophobicContact CG-CE2 3.6Å; Q244-F286 HydrophobicContact CG-CG 4.42Å; Q244-F286 HydrophobicContact CG-CZ 3.3Å
245H98.4Very high96.4Very high21 Ų2131.7 Ų31.710%0.09715%0.152CC..Hα-helixtrans-65.6-40.3174.9-69.673.5000111.5L123 C131 I143 Q241 L242 A243 A248 A249L123-H245 HydrophobicContact CD1-CB 4.28Å; C131-H245 HydrophobicContact CB-CB 3.59Å; I143-H245 HydrophobicContact CG2-CB 4.15Å; Q241-H245 PolarHBondContact O-N 3.17Å; Q241-H245 PolarHBondContact O-ND1 2.67Å; L242-H245 WeakPolarHBondContact O-CB 3.3Å; L242-H245 PolarHBondContact O-N 2.85Å; L242-H245 VanDerWaalsContact O-N 3.17Å; A243-H245 VanDerWaalsContact C-N 3.3Å; A243-H245 PolarHBondContact O-N 2.73Å; H245-A248 PolarHBondContact O-N 3.35Å; H245-A249 PolarHBondContact O-N 3.23Å
246V98Very high96Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-67.4-41.3176.8172.30000111.6I121 L123 L242 A243 Q244 A248 A249 L250 V266 F283 L287 L299I121-V246 HydrophobicContact CD1-CG1 4.06Å; I121-V246 HydrophobicContact CG2-CG2 4.44Å; L123-V246 HydrophobicContact CD1-CG2 4.36Å; L123-V246 HydrophobicContact CD2-CG2 3.78Å; L123-V246 HydrophobicContact CG-CG2 4.49Å; L242-V246 PolarHBondContact O-N 2.84Å; L242-V246 VanDerWaalsContact O-N 3.13Å; A243-V246 PolarHBondContact O-N 2.83Å; Q244-V246 VanDerWaalsContact C-N 3.35Å; V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 PolarHBondContact O-N 3.18Å; V246-A249 PolarHBondContact O-N 3.14Å; V246-A249 VanDerWaalsContact O-N 3.15Å; V246-L250 HydrophobicContact CG1-CD1 4.15Å; V246-L250 HydrophobicContact CG1-CG 4.39Å; V246-L250 WeakPolarHBondContact O-CB 3.37Å; V246-L250 WeakPolarHBondContact O-CG 3.37Å; V246-L250 PolarHBondContact O-N 3.21Å; V246-V266 HydrophobicContact CG2-CG1 4.49Å; V246-F283 HydrophobicContact CB-CZ 4.3Å; V246-F283 HydrophobicContact CG2-CE2 4.16Å; V246-F283 HydrophobicContact CG2-CZ 3.84Å; V246-L287 HydrophobicContact CG1-CD1 4.2Å; V246-L299 HydrophobicContact CG1-CD1 3.64Å
247R96.6Very high95.2Very high88 Ų8833.5 Ų33.533%0.33217%0.171SC..Hα-helixtrans-55.3-47.8171.8-169.8-164.7102.2-128.26.8111A243 Q244 A249 L250 F251 F286 L287 V340 F342A243-R247 PolarHBondContact O-N 3.31Å; Q244-R247 PolarHBondContact O-N 2.76Å; R247-A249 VanDerWaalsContact C-N 3.32Å; R247-A249 PolarHBondContact O-N 3.2Å; R247-L250 WeakPolarHBondContact O-CB 3.48Å; R247-L250 PolarHBondContact O-N 3.46Å; R247-F251 PolarHBondContact O-N 2.85Å; R247-F286 HydrophobicContact CB-CE1 4Å; R247-F286 HydrophobicContact CG-CE1 4.45Å; R247-L287 HydrophobicContact CB-CD2 4.18Å; R247-V340 HydrophobicContact CG-CB 4.25Å; R247-V340 HydrophobicContact CG-CG1 3.8Å; R247-F342 HydrophobicContact CG-CE1 4.13Å; R247-F342 WeakPolarHBondContact O-CE1 3.46Å
248A96.9Very high93.9Very high32 Ų3238.1 Ų38.126%0.26419%0.192SC..Hα-helixtrans-64.6-35.6178.500000112.6I143 Q244 H245 V246 F251 Y252I143-A248 HydrophobicContact CG1-CB 4.17Å; I143-A248 HydrophobicContact CG2-CB 3.77Å; Q244-A248 PolarHBondContact O-N 3.2Å; H245-A248 PolarHBondContact O-N 3.35Å; V246-A248 VanDerWaalsContact C-N 3.31Å; V246-A248 PolarHBondContact O-N 3.18Å; A248-F251 WeakPolarHBondContact O-CB 3.49Å; A248-F251 PolarHBondContact O-N 3.14Å; A248-Y252 WeakPolarHBondContact O-CD2 3.47Å; A248-Y252 WeakPolarHBondContact O-CE2 3.29Å
249A96.6Very high92.5Very high0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-68.3-38.4173.700000112.5I121 I143 H245 V246 R247 F251 Y252 H253I121-A249 HydrophobicContact CD1-CB 3.73Å; I121-A249 HydrophobicContact CG1-CB 3.87Å; I121-A249 HydrophobicContact CG2-CB 4.06Å; I143-A249 HydrophobicContact CD1-CB 3.83Å; H245-A249 PolarHBondContact O-N 3.23Å; V246-A249 PolarHBondContact O-N 3.14Å; V246-A249 VanDerWaalsContact O-N 3.15Å; R247-A249 VanDerWaalsContact C-N 3.32Å; R247-A249 PolarHBondContact O-N 3.2Å; A249-F251 VanDerWaalsContact C-N 3.26Å; A249-F251 PolarHBondContact O-N 3.24Å; A249-Y252 PolarHBondContact O-N 3.28Å; A249-H253 PolarHBondContact O-N 2.96Å
250L94.5Very high90.8Very high1 Ų150 Ų501%0.00525%0.245CC..Hα-helixtrans-59.8-33.7175.8-79.8168.2000112.7I121 V246 R247 Y252 H253 V254 L264 L299 F338 V340 F342I121-L250 HydrophobicContact CD1-CD2 4.18Å; I121-L250 HydrophobicContact CD1-CG 4.02Å; V246-L250 HydrophobicContact CG1-CD1 4.15Å; V246-L250 HydrophobicContact CG1-CG 4.39Å; V246-L250 WeakPolarHBondContact O-CB 3.37Å; V246-L250 WeakPolarHBondContact O-CG 3.37Å; V246-L250 PolarHBondContact O-N 3.21Å; R247-L250 WeakPolarHBondContact O-CB 3.48Å; R247-L250 PolarHBondContact O-N 3.46Å; L250-Y252 VanDerWaalsContact C-N 3.29Å; L250-Y252 PolarHBondContact O-N 3.17Å; L250-H253 PolarHBondContact O-N 3.23Å; L250-V254 WeakPolarHBondContact O-CB 3.33Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.2Å; L250-L264 HydrophobicContact CD2-CD2 3.74Å; L250-L299 HydrophobicContact CD2-CD2 4.14Å; L250-F338 HydrophobicContact CD1-CD2 3.83Å; L250-F338 HydrophobicContact CD1-CE2 3.96Å; L250-F338 HydrophobicContact CD1-CG 4.18Å; L250-F338 HydrophobicContact CD1-CZ 4.39Å; L250-F338 HydrophobicContact CD2-CE1 4.35Å; L250-F338 HydrophobicContact CD2-CE2 4.19Å; L250-F338 HydrophobicContact CD2-CZ 3.93Å; L250-V340 HydrophobicContact CD1-CG1 4.38Å; L250-F342 HydrophobicContact CB-CZ 4.03Å
251F94Very high88.9Confident86 Ų8653 Ų5338%0.37727%0.267SS..Hα-helixtrans-52.8-48.5174.7174.1-99.5000111.5R247 A248 A249 H253 V254 V255 F342R247-F251 PolarHBondContact O-N 2.85Å; A248-F251 WeakPolarHBondContact O-CB 3.49Å; A248-F251 PolarHBondContact O-N 3.14Å; A249-F251 VanDerWaalsContact C-N 3.26Å; A249-F251 PolarHBondContact O-N 3.24Å; F251-H253 PolarHBondContact O-N 2.87Å; F251-V254 PolarHBondContact O-N 3.24Å; F251-V255 HydrophobicContact CD1-CG2 4.45Å; F251-V255 HydrophobicContact CE1-CG2 4.09Å; F251-V255 HydrophobicContact CE2-CG2 4.21Å; F251-V255 HydrophobicContact CZ-CG2 3.97Å; F251-V255 VanDerWaalsContact O-CG2 3.28Å; F251-V255 WeakPolarHBondContact O-CG2 3.35Å; F251-V255 PolarHBondContact O-N 3.45Å; F251-F342 HydrophobicContact CB-CD1 3.86Å; F251-F342 HydrophobicContact CB-CE1 3.65Å; F251-F342 HydrophobicContact CB-CE2 4.37Å; F251-F342 HydrophobicContact CB-CG 4.33Å; F251-F342 HydrophobicContact CB-CZ 3.94Å; F251-F342 HydrophobicContact CD2-CB 3.82Å; F251-F342 AromaticContact CD2-CD1 3.89Å; F251-F342 HydrophobicContact CD2-CD1 3.89Å; F251-F342 AromaticContact CD2-CD2 3.86Å; F251-F342 HydrophobicContact CD2-CD2 3.86Å; F251-F342 HydrophobicContact CD2-CE1 4.44Å; F251-F342 HydrophobicContact CD2-CE2 4.41Å; F251-F342 AromaticContact CD2-CG 3.59Å; F251-F342 HydrophobicContact CD2-CG 3.59Å; F251-F342 HydrophobicContact CE2-CB 4.26Å; F251-F342 HydrophobicContact CE2-CG 4.45Å; F251-F342 HydrophobicContact CG-CD1 4.35Å; F251-F342 HydrophobicContact CG-CG 4.45Å; F251-F342 VanDerWaalsContact N-CZ 3.28Å
252Y94.2Very high87.8Confident71 Ų7153.1 Ų53.128%0.27827%0.267SS..Hα-helixtrans-69.3-35.3-179.2-61.8-80.3000112.4Q141 I143 A248 A249 L250 V255 D256Q141-Y252 HydrophobicContact CB-CD1 4.3Å; Q141-Y252 HydrophobicContact CB-CD2 4.15Å; Q141-Y252 HydrophobicContact CB-CE2 4.41Å; Q141-Y252 HydrophobicContact CB-CG 4.09Å; Q141-Y252 HydrophobicContact CG-CD1 3.88Å; Q141-Y252 HydrophobicContact CG-CD2 3.6Å; Q141-Y252 HydrophobicContact CG-CE1 3.66Å; Q141-Y252 HydrophobicContact CG-CE2 3.39Å; Q141-Y252 HydrophobicContact CG-CG 3.84Å; Q141-Y252 VanDerWaalsContact CG-CZ 3.41Å; I143-Y252 HydrophobicContact CG1-CE2 4.5Å; A248-Y252 WeakPolarHBondContact O-CD2 3.47Å; A248-Y252 WeakPolarHBondContact O-CE2 3.29Å; A249-Y252 PolarHBondContact O-N 3.28Å; L250-Y252 VanDerWaalsContact C-N 3.29Å; L250-Y252 PolarHBondContact O-N 3.17Å; Y252-V255 PolarHBondContact O-N 2.9Å; Y252-D256 VanDerWaalsContact O-CG 3.3Å; Y252-D256 PolarHBondContact O-N 3.25Å
253H91.9Very high87.3Confident17 Ų1758 Ų588%0.07929%0.294CS..Hα-helixtrans-64.3-43.2174.7-175.857.7000112.6Y133 A249 L250 F251 D256 S257 Q262 L264Y133-H253 HydrophobicContact CD2-CB 4.11Å; Y133-H253 HydrophobicContact CE2-CB 3.64Å; Y133-H253 AromaticContact CE2-CG 3.87Å; Y133-H253 AromaticContact CE2-ND1 3.45Å; Y133-H253 WeakPolarHBondContact CE2-ND1 3.33Å; Y133-H253 AromaticContact CZ-ND1 3.64Å; Y133-H253 PolarHBondContact OH-ND1 3.23Å; A249-H253 PolarHBondContact O-N 2.96Å; L250-H253 PolarHBondContact O-N 3.23Å; F251-H253 PolarHBondContact O-N 2.87Å; H253-D256 PolarHBondContact O-N 3.01Å; H253-S257 WeakPolarHBondContact O-CB 3.34Å; H253-S257 PolarHBondContact O-N 3.4Å; H253-S257 VanDerWaalsContact O-N 3.09Å; H253-S257 PolarHBondContact O-OG 3.39Å; H253-Q262 PolarHBondContact CD2-OE1 3.08Å; H253-Q262 PolarHBondContact NE2-NE2 3.44Å; H253-Q262 PolarHBondContact NE2-OE1 3.43Å; H253-L264 HydrophobicContact CB-CD2 4.18Å
254V88.4Confident87Confident12 Ų1258.3 Ų58.37%0.07330%0.295CS..Hα-helixtrans-63.7-44.3176.8162.40000111L250 F251 D256 S257 M258 W295 F342L250-V254 WeakPolarHBondContact O-CB 3.33Å; L250-V254 WeakPolarHBondContact O-CG2 3.45Å; L250-V254 PolarHBondContact O-N 3.2Å; F251-V254 PolarHBondContact O-N 3.24Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 3.28Å; V254-S257 PolarHBondContact O-N 3.3Å; V254-M258 PolarHBondContact O-N 3.18Å; V254-W295 HydrophobicContact CG1-CD2 4.09Å; V254-W295 HydrophobicContact CG1-CG 4.12Å; V254-W295 HydrophobicContact CG1-CZ2 4.07Å; V254-W295 HydrophobicContact CG2-CB 4.37Å; V254-W295 HydrophobicContact CG2-CG 3.98Å; V254-F342 HydrophobicContact CB-CE2 4.06Å; V254-F342 HydrophobicContact CG1-CE2 4.22Å; V254-F342 HydrophobicContact CG2-CE2 3.98Å
255V88.3Confident86.9Confident71 Ų7157 Ų5743%0.4329%0.292SS..Hα-helixtrans-60.2-40.9177.2168.20000111.7F251 Y252 M258F251-V255 HydrophobicContact CD1-CG2 4.45Å; F251-V255 HydrophobicContact CE1-CG2 4.09Å; F251-V255 HydrophobicContact CE2-CG2 4.21Å; F251-V255 HydrophobicContact CZ-CG2 3.97Å; F251-V255 VanDerWaalsContact O-CG2 3.28Å; F251-V255 WeakPolarHBondContact O-CG2 3.35Å; F251-V255 PolarHBondContact O-N 3.45Å; Y252-V255 PolarHBondContact O-N 2.9Å; V255-M258 WeakPolarHBondContact O-CE 3.23Å
256D89.1Confident86.9Confident73 Ų7356 Ų5639%0.3929%0.287SS..Hα-helixtrans-70.9-39.5-179.9-74.3-2.4000113.4Y133 R135 Y252 H253 V254Y133-D256 WeakPolarHBondContact CE1-OD2 3.28Å; Y133-D256 PolarHBondContact OH-OD2 3.08Å; R135-D256 WeakPolarHBondContact CD-OD2 3.25Å; R135-D256 IonicContact CZ-OD1 3.77Å; R135-D256 IonicContact CZ-OD2 3.62Å; R135-D256 VanDerWaalsContact CZ-OD2 3.28Å; R135-D256 IonicContact NE-OD1 3.08Å; R135-D256 PolarHBondContact NE-OD1 2.9Å; R135-D256 IonicContact NE-OD2 3.28Å; R135-D256 PolarHBondContact NE-OD2 2.9Å; R135-D256 IonicContact NH2-OD1 2.81Å; R135-D256 PolarHBondContact NH2-OD1 3.2Å; R135-D256 IonicContact NH2-OD2 2.81Å; R135-D256 PolarHBondContact NH2-OD2 2.82Å; Y252-D256 VanDerWaalsContact O-CG 3.3Å; Y252-D256 PolarHBondContact O-N 3.25Å; H253-D256 PolarHBondContact O-N 3.01Å; V254-D256 VanDerWaalsContact C-N 3.32Å; V254-D256 PolarHBondContact O-N 3.28Å
257S83.6Confident86.9Confident45 Ų4556 Ų5632%0.31529%0.287SS..Hα-helixtrans-98.5-20.8-165.163.80000114.2H253 V254 S259 Q262H253-S257 WeakPolarHBondContact O-CB 3.34Å; H253-S257 PolarHBondContact O-N 3.4Å; H253-S257 VanDerWaalsContact O-N 3.09Å; H253-S257 PolarHBondContact O-OG 3.39Å; V254-S257 PolarHBondContact O-N 3.3Å; S257-S259 PolarHBondContact O-N 3.48Å; S257-Q262 VanDerWaalsContact OG-CD 3.29Å; S257-Q262 PolarHBondContact OG-NE2 3.1Å; S257-Q262 PolarHBondContact OG-OE1 3.18Å; S257-Q262 VanDerWaalsContact OG-OE1 3.07Å
258M70.8Confident87Confident164 Ų16451.9 Ų51.981%0.80827%0.272SS*.  trans55.415.1-177.9-60.9-80.4171.500114.3V254 V255V254-M258 PolarHBondContact O-N 3.18Å; V255-M258 WeakPolarHBondContact O-CE 3.23Å
259S69.3Low87Confident48 Ų4852 Ų5234%0.33627%0.27SS..  trans-96.5140.3178.3-177.80000111.5S257 S261S257-S259 PolarHBondContact O-N 3.48Å; S259-S261 PolarHBondContact OG-N 2.96Å; S259-S261 PolarHBondContact OG-O 3.33Å; S259-S261 VanDerWaalsContact OG-O 3.08Å
260R63.1Low86.9Confident201 Ų20153.5 Ų53.576%0.75829%0.285SS*.SBendtrans-85-18.9179.3-69.8-175177-175.8-3.2114.6T296R260-T296 PolarHBondContact O-N 3.24Å; R260-T296 VanDerWaalsContact O-O 3.05Å
261S59.9Low86.9Confident86 Ų8656.4 Ų56.460%0.60131%0.306SS*.EExtended strand (participates in β ladder)trans-130.8119.7179.91800000109.9S259 T296S259-S261 PolarHBondContact OG-N 2.96Å; S259-S261 PolarHBondContact OG-O 3.33Å; S259-S261 VanDerWaalsContact OG-O 3.08Å; S261-T296 WeakPolarHBondContact CA-O 3.47Å
262Q75.3Confident87.1Confident30 Ų3052.4 Ų52.414%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-141.5139.8-173.3-60.5-165.1-65.600112H253 S257 G297 T298H253-Q262 PolarHBondContact CD2-OE1 3.08Å; H253-Q262 PolarHBondContact NE2-NE2 3.44Å; H253-Q262 PolarHBondContact NE2-OE1 3.43Å; S257-Q262 VanDerWaalsContact OG-CD 3.29Å; S257-Q262 PolarHBondContact OG-NE2 3.1Å; S257-Q262 PolarHBondContact OG-OE1 3.18Å; S257-Q262 VanDerWaalsContact OG-OE1 3.07Å; Q262-G297 CarbonylContact O-C 3.55Å; Q262-G297 VanDerWaalsContact O-CA 3.25Å; Q262-G297 WeakPolarHBondContact O-CA 3.33Å; Q262-T298 PolarHBondContact O-N 2.93Å
263N87.1Confident87.3Confident104 Ų10449.3 Ų49.356%0.55628%0.276SS*.EExtended strand (participates in β ladder)trans-98.4122.9162.2-65.8-28.6000106.7T298N263-T298 VanDerWaalsContact CA-O 3.31Å; N263-T298 WeakPolarHBondContact CA-O 3.4Å; N263-T298 WeakPolarHBondContact OD1-CB 3.21Å; N263-T298 PolarHBondContact OD1-OG1 3.26Å
264L93.2Very high87.6Confident5 Ų556.5 Ų56.53%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-128.1133.2-177.7-172.362.2000110.1A119 I121 L250 H253 T298 L299 E300A119-L264 WeakPolarHBondContact O-CD1 3.41Å; I121-L264 HydrophobicContact CD1-CD2 3.52Å; I121-L264 HydrophobicContact CG1-CD2 3.73Å; I121-L264 HydrophobicContact CG1-CG 4.48Å; L250-L264 HydrophobicContact CD2-CD2 3.74Å; H253-L264 HydrophobicContact CB-CD2 4.18Å; L264-T298 PolarHBondContact N-O 3.38Å; L264-L299 HydrophobicContact CB-CD2 4.1Å; L264-L299 WeakPolarHBondContact O-CA 3.46Å; L264-E300 PolarHBondContact O-N 3.5Å
265T96.1Very high88Confident43 Ų4356.3 Ų56.326%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-75.1133.8173.6-56.60000109.8I121 V267 E300 V302I121-T265 PolarHBondContact N-O 3.26Å; T265-V267 HydrophobicContact CG2-CG2 4.14Å; T265-E300 WeakPolarHBondContact CA-O 3.37Å; T265-V302 HydrophobicContact CG2-CB 4.48Å; T265-V302 HydrophobicContact CG2-CG1 4.1Å; T265-V302 HydrophobicContact CG2-CG2 3.51Å
266V98.2Very high88.5Confident0 Ų054.1 Ų54.10%029%0.291CS..EExtended strand (participates in β ladder)trans-115.1107.4168.1-1730000107.9I121 L123 V246 C268 L299 E300 L301 V302I121-V266 HydrophobicContact CB-CG1 4.31Å; I121-V266 HydrophobicContact CB-CG2 4.23Å; I121-V266 HydrophobicContact CG2-CG1 4.1Å; I121-V266 CarbonylContact O-C 3.52Å; I121-V266 VanDerWaalsContact O-CA 3.31Å; I121-V266 WeakPolarHBondContact O-CA 3.43Å; L123-V266 HydrophobicContact CB-CG1 4Å; V246-V266 HydrophobicContact CG2-CG1 4.49Å; V266-C268 PolarHBondContact O-N 3.03Å; V266-L299 HydrophobicContact CG2-CB 3.98Å; V266-L299 HydrophobicContact CG2-CD1 4.16Å; V266-L299 HydrophobicContact CG2-CD2 3.93Å; V266-L299 HydrophobicContact CG2-CG 4.23Å; V266-E300 PolarHBondContact N-O 3.04Å; V266-L301 HydrophobicContact CB-CG 4.36Å; V266-L301 WeakPolarHBondContact O-CA 3.3Å; V266-V302 PolarHBondContact O-N 3.24Å
267V98.3Very high89Confident0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-80104.8175.7-170.40000108.5T111 V115 C116 I121 V122 L123 T265 V302 L304T111-V267 HydrophobicContact CG2-CB 4.43Å; T111-V267 HydrophobicContact CG2-CG1 3.65Å; V115-V267 HydrophobicContact CG2-CB 4.35Å; V115-V267 HydrophobicContact CG2-CG1 3.74Å; V115-V267 HydrophobicContact CG2-CG2 3.59Å; C116-V267 VanDerWaalsContact SG-CG2 3.56Å; I121-V267 PolarHBondContact O-N 3.45Å; V122-V267 HydrophobicContact CG2-CB 4.34Å; L123-V267 PolarHBondContact N-O 2.96Å; T265-V267 HydrophobicContact CG2-CG2 4.14Å; V267-V302 CarbonylContact C-O 3.47Å; V267-V302 HydrophobicContact CB-CG2 4.2Å; V267-V302 HydrophobicContact CG1-CG2 4.33Å; V267-V302 HydrophobicContact CG2-CG2 3.87Å; V267-L304 HydrophobicContact CG1-CD2 3.56Å; V267-L304 HydrophobicContact CG1-CG 4.43Å
268C98.3Very high89.7Confident1 Ų154 Ų541%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-92.3123.8179.8-63.50000110.3L123 V266 F273 V302 F333L123-C268 WeakPolarHBondContact O-CA 3.32Å; V266-C268 PolarHBondContact O-N 3.03Å; C268-F273 HydrophobicContact CB-CD1 3.81Å; C268-F273 HydrophobicContact CB-CD2 3.94Å; C268-F273 HydrophobicContact CB-CE1 3.62Å; C268-F273 HydrophobicContact CB-CE2 3.74Å; C268-F273 HydrophobicContact CB-CG 3.96Å; C268-F273 HydrophobicContact CB-CZ 3.58Å; C268-F273 VanDerWaalsContact SG-CE1 3.56Å; C268-V302 PolarHBondContact N-O 3.31Å; C268-F333 HydrophobicContact CB-CE1 3.9Å; C268-F333 HydrophobicContact CB-CZ 4.06Å
269C96Very high91Very high34 Ų3446.1 Ų46.123%0.2325%0.248CC..EExtended strand (participates in β ladder)trans-136155.5177.8-173.10000111.5T111 L123 I124 S125 F273T111-C269 HydrophobicContact CG2-CB 3.99Å; L123-C269 PolarHBondContact O-N 3.41Å; I124-C269 CarbonylContact C-O 3.08Å; I124-C269 VanDerWaalsContact CA-O 3.27Å; I124-C269 WeakPolarHBondContact CA-O 3.47Å; I124-C269 HydrophobicContact CG1-CB 4.16Å; S125-C269 PolarHBondContact N-O 3.36Å; C269-F273 VanDerWaalsContact O-CD2 3.3Å; C269-F273 WeakPolarHBondContact O-CD2 3.42Å; C269-F273 VanDerWaalsContact O-CE2 3.29Å; C269-F273 WeakPolarHBondContact O-CE2 3.16Å
270G94.9Very high92.4Very high31 Ų3147 Ų4732%0.3225%0.246SC..SBendtrans102.6159.5-179.700000114.2S125 V272 F273S125-G270 CarbonylContact O-C 3.53Å; S125-G270 VanDerWaalsContact O-CA 3.26Å; S125-G270 WeakPolarHBondContact O-CA 3.18Å; G270-V272 VanDerWaalsContact C-N 3.29Å; G270-V272 PolarHBondContact O-N 3.06Å; G270-F273 PolarHBondContact O-N 3.48Å
271S95.4Very high94.1Very high62 Ų6242.3 Ų42.343%0.43424%0.236SC..G310 helixtrans-69.1-20.4-16851.10000114.7S125 F273 K274S125-S271 PolarHBondContact O-N 3.43Å; S271-F273 PolarHBondContact O-N 3.17Å; S271-K274 VanDerWaalsContact O-CB 3.3Å; S271-K274 WeakPolarHBondContact O-CB 3.33Å; S271-K274 WeakPolarHBondContact O-CG 3.35Å; S271-K274 PolarHBondContact O-N 2.92Å; S271-K274 VanDerWaalsContact O-N 3.09Å
272V98.2Very high95.9Very high3 Ų338.2 Ų38.22%0.01821%0.207CC..G310 helixtrans-65-29.9178.6178.20000111S125 A156 I159 G270 K274 S275 I279S125-V272 WeakPolarHBondContact O-CB 3.25Å; S125-V272 WeakPolarHBondContact O-CG2 3.25Å; S125-V272 PolarHBondContact O-N 3.5Å; S125-V272 WeakPolarHBondContact OG-CB 3.37Å; S125-V272 WeakPolarHBondContact OG-CG2 3.23Å; A156-V272 HydrophobicContact CB-CG2 3.84Å; I159-V272 HydrophobicContact CD1-CG1 4.08Å; G270-V272 VanDerWaalsContact C-N 3.29Å; G270-V272 PolarHBondContact O-N 3.06Å; V272-K274 PolarHBondContact O-N 3.08Å; V272-S275 CarbonylContact O-C 3.5Å; V272-S275 WeakPolarHBondContact O-CA 3.47Å; V272-S275 WeakPolarHBondContact O-CB 3.39Å; V272-S275 PolarHBondContact O-N 3.21Å; V272-I279 HydrophobicContact CG1-CD1 4.06Å
273F98Very high97.1Very high5 Ų536.8 Ų36.82%0.02220%0.2CC..G310 helixtrans-69.4-12175.4-68.3-75.8000114.3L123 C268 C269 G270 S271 S275 W276 I279 F333L123-F273 HydrophobicContact CB-CZ 4.4Å; L123-F273 HydrophobicContact CD2-CE1 4.28Å; L123-F273 HydrophobicContact CD2-CZ 3.66Å; L123-F273 HydrophobicContact CG-CZ 3.85Å; L123-F273 WeakPolarHBondContact O-CE2 3.38Å; C268-F273 HydrophobicContact CB-CD1 3.81Å; C268-F273 HydrophobicContact CB-CD2 3.94Å; C268-F273 HydrophobicContact CB-CE1 3.62Å; C268-F273 HydrophobicContact CB-CE2 3.74Å; C268-F273 HydrophobicContact CB-CG 3.96Å; C268-F273 HydrophobicContact CB-CZ 3.58Å; C268-F273 VanDerWaalsContact SG-CE1 3.56Å; C269-F273 VanDerWaalsContact O-CD2 3.3Å; C269-F273 WeakPolarHBondContact O-CD2 3.42Å; C269-F273 VanDerWaalsContact O-CE2 3.29Å; C269-F273 WeakPolarHBondContact O-CE2 3.16Å; G270-F273 PolarHBondContact O-N 3.48Å; S271-F273 PolarHBondContact O-N 3.17Å; F273-S275 PolarHBondContact O-N 3.35Å; F273-W276 HydrophobicContact CD1-CE3 4.3Å; F273-W276 WeakPolarHBondContact O-CB 3.33Å; F273-W276 PolarHBondContact O-N 3.2Å; F273-W276 VanDerWaalsContact O-N 3.12Å; F273-I279 HydrophobicContact CD1-CD1 4.4Å; F273-F333 HydrophobicContact CD1-CZ 4.37Å
274K97.3Very high97.6Very high168 Ų16834.1 Ų34.173%0.7319%0.185SC*.G310 helixtrans-68.1-10.7165.8-59.5-178.6178.9-177.30112.4R225 S271 V272R225-K274 PolarHBondContact NH2-O 3.25Å; S271-K274 VanDerWaalsContact O-CB 3.3Å; S271-K274 WeakPolarHBondContact O-CB 3.33Å; S271-K274 WeakPolarHBondContact O-CG 3.35Å; S271-K274 PolarHBondContact O-N 2.92Å; S271-K274 VanDerWaalsContact O-N 3.09Å; V272-K274 PolarHBondContact O-N 3.08Å
275S98.2Very high97.8Very high8 Ų837.8 Ų37.86%0.05621%0.205CC..G310 helixtrans-111.931.7172.1-70.60000111.5S221 R225 V272 F273 D277 L278 I279S221-S275 WeakPolarHBondContact CB-OG 3.18Å; R225-S275 PolarHBondContact NH2-OG 3.26Å; V272-S275 CarbonylContact O-C 3.5Å; V272-S275 WeakPolarHBondContact O-CA 3.47Å; V272-S275 WeakPolarHBondContact O-CB 3.39Å; V272-S275 PolarHBondContact O-N 3.21Å; F273-S275 PolarHBondContact O-N 3.35Å; S275-D277 WeakPolarHBondContact CA-OD1 3.42Å; S275-D277 PolarHBondContact O-N 2.87Å; S275-L278 PolarHBondContact O-N 3.37Å; S275-I279 PolarHBondContact O-N 3.03Å; S275-I279 VanDerWaalsContact O-N 3.17Å
276W98.5Very high97.9Very high25 Ų2538.8 Ų38.810%0.09521%0.206CC..Hα-helixtrans-52.7-40.6174.9-178.7-122.6000111.9F273 L278 I279 K280 F283 L301 F333 D334F273-W276 HydrophobicContact CD1-CE3 4.3Å; F273-W276 WeakPolarHBondContact O-CB 3.33Å; F273-W276 PolarHBondContact O-N 3.2Å; F273-W276 VanDerWaalsContact O-N 3.12Å; W276-L278 PolarHBondContact O-N 3.09Å; W276-L278 VanDerWaalsContact O-N 3.08Å; W276-I279 HydrophobicContact CD2-CG1 4.5Å; W276-I279 HydrophobicContact CE3-CD1 3.85Å; W276-I279 HydrophobicContact CE3-CG1 3.52Å; W276-I279 HydrophobicContact CZ3-CD1 4.27Å; W276-I279 HydrophobicContact CZ3-CG1 3.91Å; W276-I279 PolarHBondContact O-N 3.28Å; W276-K280 HydrophobicContact CD2-CB 4.04Å; W276-K280 HydrophobicContact CE3-CB 4.48Å; W276-K280 HydrophobicContact CH2-CB 4.35Å; W276-K280 HydrophobicContact CH2-CG 4.5Å; W276-K280 HydrophobicContact CZ2-CB 3.92Å; W276-K280 HydrophobicContact CZ2-CD 4.31Å; W276-K280 HydrophobicContact CZ2-CG 3.79Å; W276-K280 WeakPolarHBondContact O-CA 3.37Å; W276-K280 WeakPolarHBondContact O-CB 3.34Å; W276-K280 PolarHBondContact O-N 3.25Å; W276-F283 HydrophobicContact CH2-CB 3.86Å; W276-F283 AromaticContact CH2-CD1 3.73Å; W276-F283 HydrophobicContact CH2-CD1 3.73Å; W276-F283 HydrophobicContact CH2-CD2 4.44Å; W276-F283 HydrophobicContact CH2-CE1 4.35Å; W276-F283 AromaticContact CH2-CG 3.76Å; W276-F283 HydrophobicContact CH2-CG 3.76Å; W276-F283 HydrophobicContact CZ3-CB 4.01Å; W276-F283 HydrophobicContact CZ3-CD1 4.35Å; W276-F283 HydrophobicContact CZ3-CD2 4.26Å; W276-F283 AromaticContact CZ3-CG 3.97Å; W276-F283 HydrophobicContact CZ3-CG 3.97Å; W276-L301 HydrophobicContact CH2-CD2 3.67Å; W276-L301 HydrophobicContact CZ2-CD2 3.8Å; W276-L301 HydrophobicContact CZ3-CD2 4.26Å; W276-F333 HydrophobicContact CB-CE2 4.34Å; W276-F333 AromaticContact CD1-CD2 3.78Å; W276-F333 AromaticContact CD1-CE2 3.64Å; W276-F333 AromaticContact CD2-CE2 3.73Å; W276-F333 HydrophobicContact CD2-CE2 3.73Å; W276-F333 AromaticContact CE2-CE2 3.81Å; W276-F333 HydrophobicContact CE3-CE2 4.38Å; W276-F333 HydrophobicContact CG-CD2 4.16Å; W276-F333 AromaticContact CG-CE2 3.65Å; W276-F333 HydrophobicContact CG-CE2 3.65Å; W276-F333 AromaticContact NE1-CD2 3.99Å; W276-F333 AromaticContact NE1-CE2 3.7Å; W276-D334 HydrophobicContact CZ2-CB 4.39Å; W276-D334 PolarHBondContact NE1-OD2 3.3Å
277D98.4Very high97.9Very high91 Ų9138.8 Ų38.849%0.48721%0.206SC..Hα-helixtrans-55.4-25.717560.7-55.5000114.4R225 S275R225-D277 IonicContact CZ-OD1 3.69Å; R225-D277 IonicContact CZ-OD2 2.83Å; R225-D277 IonicContact NE-OD1 3.53Å; R225-D277 IonicContact NE-OD2 3.86Å; R225-D277 PolarHBondContact NE-OD2 3.22Å; R225-D277 IonicContact NH2-OD1 3.84Å; R225-D277 PolarHBondContact NH2-OD1 2.61Å; R225-D277 IonicContact NH2-OD2 2.76Å; R225-D277 PolarHBondContact NH2-OD2 3.14Å; S275-D277 WeakPolarHBondContact CA-OD1 3.42Å; S275-D277 PolarHBondContact O-N 2.87Å
278L98.8Very high97.7Very high24 Ų2445.2 Ų45.213%0.12623%0.234CC..Hα-helixtrans-96.6-28.3-179.7-59176.6000113.4A224 R225 F235 S275 W276A224-L278 HydrophobicContact CB-CD1 3.78Å; A224-L278 HydrophobicContact CB-CD2 4.02Å; R225-L278 HydrophobicContact CG-CD1 4.25Å; R225-L278 HydrophobicContact CG-CD2 3.92Å; R225-L278 HydrophobicContact CG-CG 4.37Å; F235-L278 HydrophobicContact CB-CB 3.69Å; F235-L278 HydrophobicContact CD1-CB 3.93Å; F235-L278 HydrophobicContact CD1-CD1 4.13Å; F235-L278 HydrophobicContact CD2-CB 4.48Å; F235-L278 HydrophobicContact CD2-CD1 3.97Å; F235-L278 HydrophobicContact CE1-CD1 4.23Å; F235-L278 HydrophobicContact CE2-CD1 4.12Å; F235-L278 HydrophobicContact CG-CB 3.79Å; F235-L278 HydrophobicContact CG-CD1 4.01Å; F235-L278 HydrophobicContact CZ-CD1 4.25Å; S275-L278 PolarHBondContact O-N 3.37Å; W276-L278 PolarHBondContact O-N 3.09Å; W276-L278 VanDerWaalsContact O-N 3.08Å
279I98.7Very high97.5Very high0 Ų047.9 Ų47.90%025%0.251CS..Hα-helixtrans-99.9-14.1-177.372.3-174000113F235 A238 G239 L242 V272 F273 S275 W276 D281 G282 F283F235-I279 HydrophobicContact CB-CG2 4.16Å; F235-I279 HydrophobicContact CD1-CG2 3.67Å; F235-I279 HydrophobicContact CG-CG2 4.42Å; F235-I279 WeakPolarHBondContact O-CG2 3.3Å; A238-I279 HydrophobicContact CB-CG2 4.35Å; G239-I279 VanDerWaalsContact CA-O 3.29Å; G239-I279 WeakPolarHBondContact CA-O 3.39Å; L242-I279 HydrophobicContact CD1-CD1 4.01Å; V272-I279 HydrophobicContact CG1-CD1 4.06Å; F273-I279 HydrophobicContact CD1-CD1 4.4Å; S275-I279 PolarHBondContact O-N 3.03Å; S275-I279 VanDerWaalsContact O-N 3.17Å; W276-I279 HydrophobicContact CD2-CG1 4.5Å; W276-I279 HydrophobicContact CE3-CD1 3.85Å; W276-I279 HydrophobicContact CE3-CG1 3.52Å; W276-I279 HydrophobicContact CZ3-CD1 4.27Å; W276-I279 HydrophobicContact CZ3-CG1 3.91Å; W276-I279 PolarHBondContact O-N 3.28Å; I279-D281 PolarHBondContact O-N 3.27Å; I279-G282 PolarHBondContact O-N 2.92Å; I279-F283 WeakPolarHBondContact O-CB 3.42Å; I279-F283 PolarHBondContact O-N 3.13Å
280K98.7Very high97.4Very high66 Ų6649.7 Ų49.729%0.28726%0.264SS..Hα-helixtrans-55.9-48.2-174.4172.1172.4-179.6154.10112.5W276 G282 F283 I284 D334W276-K280 HydrophobicContact CD2-CB 4.04Å; W276-K280 HydrophobicContact CE3-CB 4.48Å; W276-K280 HydrophobicContact CH2-CB 4.35Å; W276-K280 HydrophobicContact CH2-CG 4.5Å; W276-K280 HydrophobicContact CZ2-CB 3.92Å; W276-K280 HydrophobicContact CZ2-CD 4.31Å; W276-K280 HydrophobicContact CZ2-CG 3.79Å; W276-K280 WeakPolarHBondContact O-CA 3.37Å; W276-K280 WeakPolarHBondContact O-CB 3.34Å; W276-K280 PolarHBondContact O-N 3.25Å; K280-G282 PolarHBondContact O-N 3.38Å; K280-F283 WeakPolarHBondContact O-CB 3.44Å; K280-F283 PolarHBondContact O-N 3.5Å; K280-F283 VanDerWaalsContact O-N 3.17Å; K280-I284 HydrophobicContact CD-CD1 4.22Å; K280-I284 VanDerWaalsContact CE-CD1 3.47Å; K280-I284 HydrophobicContact CG-CD1 3.65Å; K280-I284 HydrophobicContact CG-CG1 4.29Å; K280-I284 WeakPolarHBondContact O-CB 3.47Å; K280-I284 WeakPolarHBondContact O-CG1 3.26Å; K280-I284 PolarHBondContact O-N 3.49Å; K280-D334 WeakPolarHBondContact CE-OD2 3.31Å; K280-D334 IonicContact NZ-OD1 3.79Å; K280-D334 IonicContact NZ-OD2 2.79Å; K280-D334 PolarHBondContact NZ-OD2 3.46Å
281D98.6Very high97.2Very high103 Ų10357.9 Ų57.955%0.55129%0.294SS*.Hα-helixtrans-62.8-47-174.1-67.6-16000111Y236 I279 F283 I284 D285Y236-D281 HydrophobicContact CD2-CB 4.03Å; Y236-D281 HydrophobicContact CE2-CB 4.09Å; I279-D281 PolarHBondContact O-N 3.27Å; D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.3Å; D281-I284 PolarHBondContact O-N 3.18Å; D281-D285 VanDerWaalsContact O-CB 3.28Å; D281-D285 WeakPolarHBondContact O-CB 3.46Å; D281-D285 VanDerWaalsContact O-CG 3.25Å; D281-D285 PolarHBondContact O-N 3.03Å
282G98.8Very high96.9Very high0 Ų061.4 Ų61.40%031%0.308CS..Hα-helixtrans-64.7-34.1175.900000113.2Y236 V240 I279 K280 F286Y236-G282 VanDerWaalsContact CD2-N 3.31Å; Y236-G282 VanDerWaalsContact CE2-N 3.33Å; V240-G282 WeakPolarHBondContact CG2-O 3.49Å; I279-G282 PolarHBondContact O-N 2.92Å; K280-G282 PolarHBondContact O-N 3.38Å; G282-F286 WeakPolarHBondContact O-CB 3.23Å; G282-F286 PolarHBondContact O-N 2.66Å
283F98.7Very high96.6Very high0 Ų062.3 Ų62.30%032%0.315CS..Hα-helixtrans-67.3-44.9176-166.4-82.9000112L123 G239 L242 A243 V246 W276 I279 K280 D281 L287 L301 I336L123-F283 HydrophobicContact CD2-CE2 3.86Å; L123-F283 HydrophobicContact CD2-CZ 4.32Å; G239-F283 WeakPolarHBondContact O-CD2 3.39Å; L242-F283 HydrophobicContact CB-CD2 3.95Å; L242-F283 HydrophobicContact CB-CE2 3.97Å; A243-F283 HydrophobicContact CB-CB 4.4Å; A243-F283 HydrophobicContact CB-CD1 4.37Å; A243-F283 HydrophobicContact CB-CD2 3.73Å; A243-F283 HydrophobicContact CB-CE2 4.06Å; A243-F283 HydrophobicContact CB-CG 3.91Å; A243-F283 WeakPolarHBondContact CB-O 3.36Å; V246-F283 HydrophobicContact CB-CZ 4.3Å; V246-F283 HydrophobicContact CG2-CE2 4.16Å; V246-F283 HydrophobicContact CG2-CZ 3.84Å; W276-F283 HydrophobicContact CH2-CB 3.86Å; W276-F283 AromaticContact CH2-CD1 3.73Å; W276-F283 HydrophobicContact CH2-CD1 3.73Å; W276-F283 HydrophobicContact CH2-CD2 4.44Å; W276-F283 HydrophobicContact CH2-CE1 4.35Å; W276-F283 AromaticContact CH2-CG 3.76Å; W276-F283 HydrophobicContact CH2-CG 3.76Å; W276-F283 HydrophobicContact CZ3-CB 4.01Å; W276-F283 HydrophobicContact CZ3-CD1 4.35Å; W276-F283 HydrophobicContact CZ3-CD2 4.26Å; W276-F283 AromaticContact CZ3-CG 3.97Å; W276-F283 HydrophobicContact CZ3-CG 3.97Å; I279-F283 WeakPolarHBondContact O-CB 3.42Å; I279-F283 PolarHBondContact O-N 3.13Å; K280-F283 WeakPolarHBondContact O-CB 3.44Å; K280-F283 PolarHBondContact O-N 3.5Å; K280-F283 VanDerWaalsContact O-N 3.17Å; D281-F283 VanDerWaalsContact C-N 3.3Å; D281-F283 PolarHBondContact O-N 3.3Å; F283-L287 HydrophobicContact CD1-CD1 4Å; F283-L287 HydrophobicContact CE1-CD1 3.55Å; F283-L287 HydrophobicContact CZ-CD1 4.06Å; F283-L287 PolarHBondContact O-N 2.68Å; F283-L301 HydrophobicContact CE1-CD2 4.43Å; F283-I336 HydrophobicContact CD1-CD1 3.54Å; F283-I336 HydrophobicContact CE1-CD1 3.42Å; F283-I336 VanDerWaalsContact CE1-CD1 3.42Å
284I98.4Very high96.2Very high47 Ų4767.6 Ų67.624%0.24134%0.34CS..Hα-helixtrans-69.6-47.9179.5-73178.3000110.9K280 D281 F286 L287 K288 I336K280-I284 HydrophobicContact CD-CD1 4.22Å; K280-I284 VanDerWaalsContact CE-CD1 3.47Å; K280-I284 HydrophobicContact CG-CD1 3.65Å; K280-I284 HydrophobicContact CG-CG1 4.29Å; K280-I284 WeakPolarHBondContact O-CB 3.47Å; K280-I284 WeakPolarHBondContact O-CG1 3.26Å; K280-I284 PolarHBondContact O-N 3.49Å; D281-I284 PolarHBondContact O-N 3.18Å; I284-F286 PolarHBondContact O-N 3.24Å; I284-L287 CarbonylContact O-C 3.53Å; I284-L287 PolarHBondContact O-N 3.18Å; I284-L287 VanDerWaalsContact O-N 3.1Å; I284-K288 WeakPolarHBondContact O-CA 3.08Å; I284-K288 WeakPolarHBondContact O-CB 3.32Å; I284-K288 PolarHBondContact O-N 3.46Å; I284-I336 HydrophobicContact CD1-CG2 3.92Å; I284-I336 HydrophobicContact CG1-CB 4.44Å; I284-I336 HydrophobicContact CG1-CD1 4.35Å; I284-I336 HydrophobicContact CG1-CG2 3.96Å
285D98.2Very high95.8Very high82 Ų8262.2 Ų62.244%0.43931%0.314SS..Hα-helixtrans-57.5-38.9-177.5-78.2-14.7000111.5Y236 D281Y236-D285 WeakPolarHBondContact CE2-OD2 3.44Å; Y236-D285 WeakPolarHBondContact OH-CB 3.33Å; Y236-D285 PolarHBondContact OH-OD2 3.32Å; D281-D285 VanDerWaalsContact O-CB 3.28Å; D281-D285 WeakPolarHBondContact O-CB 3.46Å; D281-D285 VanDerWaalsContact O-CG 3.25Å; D281-D285 PolarHBondContact O-N 3.03Å
286F98Very high95.5Very high65 Ų6564.7 Ų64.729%0.28533%0.329SS..Hα-helixtrans-69.2-35.6178.3-173.8-93.7000113.6V240 A243 Q244 R247 G282 I284V240-F286 HydrophobicContact CG1-CB 4.36Å; V240-F286 HydrophobicContact CG1-CD2 3.82Å; V240-F286 HydrophobicContact CG1-CG 4.26Å; A243-F286 HydrophobicContact CB-CB 3.82Å; A243-F286 HydrophobicContact CB-CD1 3.67Å; A243-F286 HydrophobicContact CB-CG 4.05Å; Q244-F286 HydrophobicContact CB-CE1 4.26Å; Q244-F286 HydrophobicContact CB-CZ 4.34Å; Q244-F286 HydrophobicContact CG-CD1 4.15Å; Q244-F286 HydrophobicContact CG-CD2 4.16Å; Q244-F286 HydrophobicContact CG-CE1 3.58Å; Q244-F286 HydrophobicContact CG-CE2 3.6Å; Q244-F286 HydrophobicContact CG-CG 4.42Å; Q244-F286 HydrophobicContact CG-CZ 3.3Å; R247-F286 HydrophobicContact CB-CE1 4Å; R247-F286 HydrophobicContact CG-CE1 4.45Å; G282-F286 WeakPolarHBondContact O-CB 3.23Å; G282-F286 PolarHBondContact O-N 2.66Å; I284-F286 PolarHBondContact O-N 3.24Å
287L97Very high95.3Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-94.7-2.4-178.5-69172.6000113.1A243 V246 R247 F283 I284 L299 I336 F338 G339 V340A243-L287 HydrophobicContact CB-CD1 4.07Å; A243-L287 HydrophobicContact CB-CG 3.98Å; V246-L287 HydrophobicContact CG1-CD1 4.2Å; R247-L287 HydrophobicContact CB-CD2 4.18Å; F283-L287 HydrophobicContact CD1-CD1 4Å; F283-L287 HydrophobicContact CE1-CD1 3.55Å; F283-L287 HydrophobicContact CZ-CD1 4.06Å; F283-L287 PolarHBondContact O-N 2.68Å; I284-L287 CarbonylContact O-C 3.53Å; I284-L287 PolarHBondContact O-N 3.18Å; I284-L287 VanDerWaalsContact O-N 3.1Å; L287-L299 HydrophobicContact CD1-CD1 3.9Å; L287-I336 HydrophobicContact CD1-CD1 4.24Å; L287-F338 HydrophobicContact CB-CB 4.12Å; L287-F338 CarbonylContact O-C 3.55Å; L287-F338 WeakPolarHBondContact O-CA 3.2Å; L287-G339 PolarHBondContact O-N 3.13Å; L287-V340 HydrophobicContact CD2-CG1 4.08Å
288K95.6Very high95.2Very high134 Ų13461 Ų6158%0.58332%0.315SS*.  trans-57.7131-171.7-172.9176.9-179.6177.10111.4I284 S290I284-K288 WeakPolarHBondContact O-CA 3.08Å; I284-K288 WeakPolarHBondContact O-CB 3.32Å; I284-K288 PolarHBondContact O-N 3.46Å; K288-S290 PolarHBondContact O-N 2.9Å
289P93.8Very high95.1Very high58 Ų5859.9 Ų59.938%0.37731%0.309SS..  trans-57.6140.7174.3-18.826.5000112.8
290S92.7Very high95Very high72 Ų7262.3 Ų62.350%0.50332%0.321SS..  trans-129165.1172.466.20000110.4K288 N292 S293K288-S290 PolarHBondContact O-N 2.9Å; S290-N292 PolarHBondContact O-N 3.37Å; S290-N292 VanDerWaalsContact O-N 3.09Å; S290-S293 PolarHBondContact N-OG 3.19Å; S290-S293 VanDerWaalsContact O-CB 3.28Å; S290-S293 WeakPolarHBondContact O-CB 3.41Å; S290-S293 PolarHBondContact O-N 2.96Å; S290-S293 PolarHBondContact O-OG 3.26Å; S290-S293 PolarHBondContact OG-OG 3.29Å; S290-S293 VanDerWaalsContact OG-OG 3.14Å
291E90.9Very high95Very high202 Ų20259.1 Ų59.194%0.94431%0.307SS*.THydrogen-bonded Turntrans-57.9-23.6176.8-65.2-178172.500113.2
292N90.3Very high94.9Very high136 Ų13655.1 Ų55.173%0.72729%0.286SS*.THydrogen-bonded Turntrans-93.64.8179.3-61.8-34.3000113.5S290 E294 T341S290-N292 PolarHBondContact O-N 3.37Å; S290-N292 VanDerWaalsContact O-N 3.09Å; N292-E294 PolarHBondContact O-N 3.34Å; N292-T341 PolarHBondContact O-OG1 2.87Å
293S90.5Very high94.8Very high22 Ų2258.2 Ų58.215%0.15430%0.3CS..  trans-71.9117.6-179.6-59.30000110.6S290S290-S293 PolarHBondContact N-OG 3.19Å; S290-S293 VanDerWaalsContact O-CB 3.28Å; S290-S293 WeakPolarHBondContact O-CB 3.41Å; S290-S293 PolarHBondContact O-N 2.96Å; S290-S293 PolarHBondContact O-OG 3.26Å; S290-S293 PolarHBondContact OG-OG 3.29Å; S290-S293 VanDerWaalsContact OG-OG 3.14Å
294E89.3Confident94.7Very high117 Ų11759.8 Ų59.855%0.54731%0.309SS..SBendtrans-76.8-33.2179.2-73.1-175.2178.300112.4N292 V340 T341N292-E294 PolarHBondContact O-N 3.34Å; E294-V340 PolarHBondContact N-O 3.23Å; E294-V340 VanDerWaalsContact N-O 3.13Å; E294-T341 HydrophobicContact CB-CG2 4.47Å; E294-T341 HydrophobicContact CG-CG2 3.9Å; E294-T341 PolarHBondContact N-OG1 3.28Å
295W89.8Confident94.3Very high54 Ų5463.4 Ų63.421%0.20532%0.323CS..EExtended strand (participates in β ladder)trans-121.6134.4175.1-60.8-90.7000110.1V254 G339 V340 F342V254-W295 HydrophobicContact CG1-CD2 4.09Å; V254-W295 HydrophobicContact CG1-CG 4.12Å; V254-W295 HydrophobicContact CG1-CZ2 4.07Å; V254-W295 HydrophobicContact CG2-CB 4.37Å; V254-W295 HydrophobicContact CG2-CG 3.98Å; W295-G339 CarbonylContact O-C 3.52Å; W295-G339 VanDerWaalsContact O-CA 3.25Å; W295-G339 WeakPolarHBondContact O-CA 3.48Å; W295-V340 HydrophobicContact CB-CG2 3.99Å; W295-V340 PolarHBondContact N-O 2.79Å; W295-V340 PolarHBondContact O-N 2.9Å; W295-F342 HydrophobicContact CD2-CD2 4.05Å; W295-F342 AromaticContact CD2-CE2 3.99Å; W295-F342 HydrophobicContact CD2-CE2 3.99Å; W295-F342 AromaticContact CE3-CD2 3.44Å; W295-F342 HydrophobicContact CE3-CD2 3.44Å; W295-F342 VanDerWaalsContact CE3-CD2 3.44Å; W295-F342 AromaticContact CE3-CE2 3.7Å; W295-F342 HydrophobicContact CE3-CE2 3.7Å; W295-F342 HydrophobicContact CE3-CG 4.35Å; W295-F342 HydrophobicContact CG-CE2 4.48Å; W295-F342 AromaticContact CH2-CD2 3.89Å; W295-F342 HydrophobicContact CH2-CD2 3.89Å; W295-F342 HydrophobicContact CZ2-CD2 4.41Å; W295-F342 HydrophobicContact CZ3-CB 4.11Å; W295-F342 AromaticContact CZ3-CD2 3.36Å; W295-F342 HydrophobicContact CZ3-CD2 3.36Å; W295-F342 HydrophobicContact CZ3-CE2 4.11Å; W295-F342 HydrophobicContact CZ3-CG 4.06Å
296T92.7Very high93.8Very high60 Ų6063.6 Ų63.637%0.36832%0.321SS..EExtended strand (participates in β ladder)trans-135158.3177.659.20000110.3R260 S261 F338R260-T296 PolarHBondContact O-N 3.24Å; R260-T296 VanDerWaalsContact O-O 3.05Å; S261-T296 WeakPolarHBondContact CA-O 3.47Å; T296-F338 VanDerWaalsContact CA-O 3.23Å; T296-F338 WeakPolarHBondContact CA-O 3.32Å
297G93.4Very high93.5Very high11 Ų1161.6 Ų61.611%0.11332%0.315CS..EExtended strand (participates in β ladder)trans173.6-161.2179.400000111.8Q262 S337 F338Q262-G297 CarbonylContact O-C 3.55Å; Q262-G297 VanDerWaalsContact O-CA 3.25Å; Q262-G297 WeakPolarHBondContact O-CA 3.33Å; G297-S337 CarbonylContact O-C 3.59Å; G297-S337 WeakPolarHBondContact O-CA 3.48Å; G297-F338 VanDerWaalsContact CA-CE1 3.41Å; G297-F338 PolarHBondContact N-O 2.95Å; G297-F338 VanDerWaalsContact N-O 3.08Å; G297-F338 WeakPolarHBondContact O-CD1 3.18Å; G297-F338 PolarHBondContact O-N 3.37Å
298T95.7Very high93.4Very high28 Ų2861.7 Ų61.717%0.17232%0.316CS..EExtended strand (participates in β ladder)trans-126.8137.9177.8-36.80000111Q262 N263 L264 K335 I336Q262-T298 PolarHBondContact O-N 2.93Å; N263-T298 VanDerWaalsContact CA-O 3.31Å; N263-T298 WeakPolarHBondContact CA-O 3.4Å; N263-T298 WeakPolarHBondContact OD1-CB 3.21Å; N263-T298 PolarHBondContact OD1-OG1 3.26Å; L264-T298 PolarHBondContact N-O 3.38Å; T298-K335 HydrophobicContact CG2-CD 3.98Å; T298-K335 HydrophobicContact CG2-CG 3.35Å; T298-I336 CarbonylContact C-O 3.56Å; T298-I336 WeakPolarHBondContact CA-O 3.47Å; T298-I336 WeakPolarHBondContact CG2-O 3.34Å
299L96.8Very high93.5Very high0 Ų055.3 Ų55.30%029%0.288CS..EExtended strand (participates in β ladder)trans-100.8125.4169.7-58178.7000109.1V246 L250 L264 V266 L287 L301 K335 I336 F338V246-L299 HydrophobicContact CG1-CD1 3.64Å; L250-L299 HydrophobicContact CD2-CD2 4.14Å; L264-L299 HydrophobicContact CB-CD2 4.1Å; L264-L299 WeakPolarHBondContact O-CA 3.46Å; V266-L299 HydrophobicContact CG2-CB 3.98Å; V266-L299 HydrophobicContact CG2-CD1 4.16Å; V266-L299 HydrophobicContact CG2-CD2 3.93Å; V266-L299 HydrophobicContact CG2-CG 4.23Å; L287-L299 HydrophobicContact CD1-CD1 3.9Å; L299-L301 HydrophobicContact CB-CD1 3.71Å; L299-L301 WeakPolarHBondContact O-CD1 3.35Å; L299-K335 WeakPolarHBondContact O-CA 3.06Å; L299-I336 HydrophobicContact CB-CG1 3.95Å; L299-I336 HydrophobicContact CD1-CD1 4.3Å; L299-I336 HydrophobicContact CD1-CG1 4.36Å; L299-I336 HydrophobicContact CG-CG1 4.48Å; L299-I336 PolarHBondContact N-O 3.18Å; L299-I336 PolarHBondContact O-N 3.03Å; L299-F338 HydrophobicContact CD1-CD1 4.43Å; L299-F338 HydrophobicContact CD2-CD1 3.82Å; L299-F338 HydrophobicContact CD2-CE1 3.9Å; L299-F338 HydrophobicContact CG-CD1 3.69Å; L299-F338 HydrophobicContact CG-CE1 4.27Å; L299-F338 HydrophobicContact CG-CG 4.39Å
300E97Very high93.7Very high51 Ų5153.6 Ų53.624%0.23827%0.274CS..EExtended strand (participates in β ladder)trans-97105.9172.4-66.1-176167.400108.3L264 T265 V266 K335L264-E300 PolarHBondContact O-N 3.5Å; T265-E300 WeakPolarHBondContact CA-O 3.37Å; V266-E300 PolarHBondContact N-O 3.04Å; E300-K335 HydrophobicContact CG-CD 4.22Å; E300-K335 HydrophobicContact CG-CG 4.31Å; E300-K335 IonicContact OE1-NZ 2.62Å; E300-K335 PolarHBondContact OE1-NZ 3.46Å
301L98.3Very high93.9Very high0 Ų050.2 Ų50.20%025%0.25CS..EExtended strand (participates in β ladder)trans-87.8116.7-175.3-78.368.6000108.8V266 W276 F283 L299 Q332 F333 D334 I336V266-L301 HydrophobicContact CB-CG 4.36Å; V266-L301 WeakPolarHBondContact O-CA 3.3Å; W276-L301 HydrophobicContact CH2-CD2 3.67Å; W276-L301 HydrophobicContact CZ2-CD2 3.8Å; W276-L301 HydrophobicContact CZ3-CD2 4.26Å; F283-L301 HydrophobicContact CE1-CD2 4.43Å; L299-L301 HydrophobicContact CB-CD1 3.71Å; L299-L301 WeakPolarHBondContact O-CD1 3.35Å; L301-Q332 WeakPolarHBondContact O-CA 3.29Å; L301-F333 HydrophobicContact CB-CD1 4.34Å; L301-F333 HydrophobicContact CB-CE1 3.68Å; L301-F333 HydrophobicContact CB-CE2 4.24Å; L301-F333 HydrophobicContact CB-CZ 3.64Å; L301-F333 HydrophobicContact CD2-CE2 4.23Å; L301-F333 HydrophobicContact CD2-CZ 3.9Å; L301-F333 HydrophobicContact CG-CZ 4.34Å; L301-F333 VanDerWaalsContact O-CD1 3.3Å; L301-F333 WeakPolarHBondContact O-CD1 3.35Å; L301-F333 PolarHBondContact O-N 2.96Å; L301-D334 HydrophobicContact CB-CB 4.34Å; L301-D334 PolarHBondContact N-O 3.11Å; L301-I336 HydrophobicContact CD1-CD1 4.33Å; L301-I336 HydrophobicContact CD1-CG1 3.98Å
302V97.8Very high94.2Very high18 Ų1840.6 Ų40.611%0.10921%0.205CC..EExtended strand (participates in β ladder)trans-119.8141.1-175.8-56.50000111.3V115 T265 V266 V267 C268 V331 Q332V115-V302 HydrophobicContact CG2-CG2 4.41Å; T265-V302 HydrophobicContact CG2-CB 4.48Å; T265-V302 HydrophobicContact CG2-CG1 4.1Å; T265-V302 HydrophobicContact CG2-CG2 3.51Å; V266-V302 PolarHBondContact O-N 3.24Å; V267-V302 CarbonylContact C-O 3.47Å; V267-V302 HydrophobicContact CB-CG2 4.2Å; V267-V302 HydrophobicContact CG1-CG2 4.33Å; V267-V302 HydrophobicContact CG2-CG2 3.87Å; C268-V302 PolarHBondContact N-O 3.31Å; V302-V331 CarbonylContact C-O 3.6Å; V302-V331 WeakPolarHBondContact CA-O 3.17Å; V302-Q332 HydrophobicContact CG1-CB 4.15Å; V302-Q332 HydrophobicContact CG1-CG 4.46Å
303Q96.8Very high94.5Very high65 Ų6534.1 Ų34.130%0.30417%0.171SC..EExtended strand (participates in β ladder)trans-105.7154.9168.2-78.5-179.8-16.700110.4G330 V331 F333Q303-G330 CarbonylContact O-C 3.51Å; Q303-G330 VanDerWaalsContact O-CA 3.3Å; Q303-G330 WeakPolarHBondContact O-CA 3.33Å; Q303-V331 PolarHBondContact N-O 3.31Å; Q303-V331 PolarHBondContact O-N 3.27Å; Q303-F333 HydrophobicContact CB-CD1 4.35Å; Q303-F333 HydrophobicContact CG-CD1 3.7Å; Q303-F333 HydrophobicContact CG-CE1 3.7Å
304L95Very high94.8Very high34 Ų3435 Ų3518%0.17817%0.171CC..  trans-74.9141175.8-46.6-178000110.8T111 T114 V115 V267 H306 A308T111-L304 HydrophobicContact CG2-CD1 4.2Å; T111-L304 HydrophobicContact CG2-CD2 4.41Å; T114-L304 HydrophobicContact CG2-CD1 4.39Å; T114-L304 HydrophobicContact CG2-CD2 4.05Å; V115-L304 HydrophobicContact CB-CD2 4.38Å; V115-L304 HydrophobicContact CG1-CD2 3.67Å; V115-L304 HydrophobicContact CG2-CD2 3.78Å; V267-L304 HydrophobicContact CG1-CD2 3.56Å; V267-L304 HydrophobicContact CG1-CG 4.43Å; L304-H306 WeakPolarHBondContact CB-O 3.44Å; L304-A308 HydrophobicContact CD1-CB 4.02Å
305K90.6Very high95.1Very high123 Ų12330 Ų3054%0.53515%0.147SC..SBendtrans-84.9-43.6165.1-63.4174.2172.8159.80110.6D328 S329 G330 V331K305-D328 WeakPolarHBondContact CB-OD2 3.36Å; K305-S329 PolarHBondContact NZ-OG 3.48Å; K305-G330 WeakPolarHBondContact CE-O 3.14Å; K305-G330 PolarHBondContact NZ-O 3.23Å; K305-V331 HydrophobicContact CD-CG2 4.08Å; K305-V331 HydrophobicContact CG-CG2 3.5Å
306H87.4Confident95.4Very high86 Ų8627.4 Ų27.440%0.39814%0.138SC..SBendtrans-92.3156.1173.4-60.787.6000111.4T114 L304 D328T114-H306 HydrophobicContact CG2-CB 4.5Å; L304-H306 WeakPolarHBondContact CB-O 3.44Å; H306-D328 IonicContact CE1-OD1 3.09Å; H306-D328 IonicContact CE1-OD2 3.33Å; H306-D328 IonicContact CG-OD2 3.17Å; H306-D328 PolarHBondContact N-OD2 3.21Å; H306-D328 IonicContact ND1-OD1 2.78Å; H306-D328 IonicContact ND1-OD2 2.68Å; H306-D328 PolarHBondContact ND1-OD2 3.47Å
307S91.4Very high95.5Very high23 Ų2324.8 Ų24.816%0.16112%0.122CC..  trans-54.7150.8170.8167.80000111.6E9 A309 Y310E9-S307 VanDerWaalsContact CG-OG 3.27Å; E9-S307 WeakPolarHBondContact CG-OG 3.46Å; E9-S307 WeakPolarHBondContact OE1-CB 3.44Å; E9-S307 PolarHBondContact OE1-OG 2.74Å; E9-S307 PolarHBondContact OE2-OG 2.94Å; S307-A309 PolarHBondContact O-N 3.45Å; S307-A309 WeakPolarHBondContact OG-CB 3.44Å; S307-A309 PolarHBondContact OG-N 3.36Å; S307-A309 VanDerWaalsContact OG-N 3.11Å; S307-Y310 WeakPolarHBondContact O-CB 3.27Å; S307-Y310 PolarHBondContact O-N 3.08Å
308A95.9Very high95.4Very high2 Ų229.3 Ų29.32%0.01714%0.14CC..Hα-helixtrans-63.2-9.4171.100000112.8E9 T114 L304 Y310 G311 A312E9-A308 HydrophobicContact CB-CB 4.07Å; E9-A308 WeakPolarHBondContact OE2-CA 3.21Å; E9-A308 WeakPolarHBondContact OE2-CB 3.4Å; E9-A308 PolarHBondContact OE2-N 3.11Å; T114-A308 WeakPolarHBondContact OG1-CA 3.38Å; L304-A308 HydrophobicContact CD1-CB 4.02Å; A308-Y310 PolarHBondContact O-N 3.37Å; A308-G311 PolarHBondContact O-N 2.93Å; A308-A312 PolarHBondContact O-N 3.28Å
309A97.7Very high95.1Very high0 Ų032 Ų320%016%0.16CC..Hα-helixtrans-56.2-34166.600000111.7G7 E9 V18 S307 A312 A313G7-A309 CarbonylContact C-O 3.56Å; G7-A309 VanDerWaalsContact CA-O 3.3Å; G7-A309 WeakPolarHBondContact CA-O 3.5Å; G7-A309 WeakPolarHBondContact O-CB 3.3Å; E9-A309 HydrophobicContact CB-CB 4.36Å; E9-A309 HydrophobicContact CG-CB 4.24Å; V18-A309 HydrophobicContact CG1-CB 4.21Å; V18-A309 HydrophobicContact CG2-CB 3.99Å; S307-A309 PolarHBondContact O-N 3.45Å; S307-A309 WeakPolarHBondContact OG-CB 3.44Å; S307-A309 PolarHBondContact OG-N 3.36Å; S307-A309 VanDerWaalsContact OG-N 3.11Å; A309-A312 WeakPolarHBondContact O-CB 3.17Å; A309-A312 PolarHBondContact O-N 3.43Å; A309-A313 PolarHBondContact O-N 2.49Å
310Y97.2Very high94.7Very high22 Ų2233.8 Ų33.89%0.08617%0.169CC..Hα-helixtrans-64.3-48.4174.8-171.8-96.9000111.6L20 T114 S307 A308 A312 A313 R314 I325 P326L20-Y310 HydrophobicContact CD1-CD2 3.73Å; L20-Y310 HydrophobicContact CD1-CE2 3.66Å; L20-Y310 HydrophobicContact CD2-CD2 4.11Å; L20-Y310 HydrophobicContact CD2-CE2 4.15Å; T114-Y310 HydrophobicContact CG2-CD1 4.38Å; S307-Y310 WeakPolarHBondContact O-CB 3.27Å; S307-Y310 PolarHBondContact O-N 3.08Å; A308-Y310 PolarHBondContact O-N 3.37Å; Y310-A312 VanDerWaalsContact C-N 3.29Å; Y310-A312 PolarHBondContact O-N 2.79Å; Y310-A313 WeakPolarHBondContact O-CB 3.45Å; Y310-A313 PolarHBondContact O-N 3.01Å; Y310-A313 VanDerWaalsContact O-N 3.13Å; Y310-R314 HydrophobicContact CD1-CG 4.31Å; Y310-R314 HydrophobicContact CE1-CG 4.17Å; Y310-R314 WeakPolarHBondContact O-CG 3.26Å; Y310-R314 PolarHBondContact O-N 2.8Å; Y310-I325 HydrophobicContact CE1-CG2 3.97Å; Y310-I325 HydrophobicContact CE2-CG2 4.18Å; Y310-I325 WeakPolarHBondContact OH-CG2 3.33Å; Y310-P326 VanDerWaalsContact CE1-O 3.3Å; Y310-P326 WeakPolarHBondContact CE1-O 3.32Å; Y310-P326 PolarHBondContact OH-O 3.29Å
311G96.9Very high94.2Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-65.5-30.5174.300000113.5G110 T114 A308 R314 L315G110-G311 WeakPolarHBondContact O-CA 3.26Å; T114-G311 WeakPolarHBondContact OG1-CA 3.19Å; T114-G311 PolarHBondContact OG1-N 3.37Å; A308-G311 PolarHBondContact O-N 2.93Å; G311-R314 WeakPolarHBondContact O-CB 3.29Å; G311-R314 PolarHBondContact O-N 3.06Å; G311-L315 PolarHBondContact O-N 2.82Å
312A97.7Very high93.7Very high0 Ų045.9 Ų45.90%024%0.236CC..Hα-helixtrans-61.9-45.2169.100000111.2I8 G72 A308 A309 Y310 R314 L315 S316I8-A312 WeakPolarHBondContact O-CB 3.45Å; G72-A312 WeakPolarHBondContact CA-O 3.34Å; A308-A312 PolarHBondContact O-N 3.28Å; A309-A312 WeakPolarHBondContact O-CB 3.17Å; A309-A312 PolarHBondContact O-N 3.43Å; Y310-A312 VanDerWaalsContact C-N 3.29Å; Y310-A312 PolarHBondContact O-N 2.79Å; A312-R314 VanDerWaalsContact C-N 3.32Å; A312-R314 PolarHBondContact O-N 2.87Å; A312-L315 VanDerWaalsContact O-CB 3.3Å; A312-L315 WeakPolarHBondContact O-CB 3.14Å; A312-L315 PolarHBondContact O-N 3.07Å; A312-S316 PolarHBondContact O-N 3.26Å
313A97.8Very high93.3Very high0 Ų045.6 Ų45.60%023%0.234CC..Hα-helixtrans-59.3-42.9173.400000111.5I5 V18 L20 A309 Y310 L315 S316I5-A313 HydrophobicContact CG2-CB 3.87Å; V18-A313 HydrophobicContact CG2-CB 4.47Å; L20-A313 HydrophobicContact CD1-CB 3.53Å; L20-A313 HydrophobicContact CG-CB 4.19Å; A309-A313 PolarHBondContact O-N 2.49Å; Y310-A313 WeakPolarHBondContact O-CB 3.45Å; Y310-A313 PolarHBondContact O-N 3.01Å; Y310-A313 VanDerWaalsContact O-N 3.13Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.02Å; A313-S316 PolarHBondContact O-N 2.95Å; A313-S316 VanDerWaalsContact O-N 3.14Å; A313-S316 PolarHBondContact O-OG 3.27Å
314R96.2Very high92.9Very high40 Ų4048 Ų4815%0.15125%0.253CS..Hα-helixtrans-59.7-40.7174.8-66.3-171.271.1-1363.6112.9L113 Y310 G311 A312 S316 V317 H318 I325 P326L113-R314 HydrophobicContact CB-CB 4.48Å; L113-R314 VanDerWaalsContact O-CD 3.29Å; L113-R314 WeakPolarHBondContact O-CD 3.47Å; L113-R314 PolarHBondContact O-NH1 3.09Å; Y310-R314 HydrophobicContact CD1-CG 4.31Å; Y310-R314 HydrophobicContact CE1-CG 4.17Å; Y310-R314 WeakPolarHBondContact O-CG 3.26Å; Y310-R314 PolarHBondContact O-N 2.8Å; G311-R314 WeakPolarHBondContact O-CB 3.29Å; G311-R314 PolarHBondContact O-N 3.06Å; A312-R314 VanDerWaalsContact C-N 3.32Å; A312-R314 PolarHBondContact O-N 2.87Å; R314-S316 VanDerWaalsContact C-N 3.26Å; R314-S316 PolarHBondContact O-N 3.35Å; R314-V317 WeakPolarHBondContact O-CG2 3.42Å; R314-V317 PolarHBondContact O-N 2.93Å; R314-V317 VanDerWaalsContact O-N 3.16Å; R314-H318 PolarHBondContact O-N 2.81Å; R314-H318 VanDerWaalsContact O-N 3.08Å; R314-I325 HydrophobicContact CG-CB 3.86Å; R314-I325 HydrophobicContact CG-CG2 3.51Å; R314-I325 PolarHBondContact NE-O 2.79Å; R314-I325 PolarHBondContact NH2-O 3.13Å; R314-I325 VanDerWaalsContact NH2-O 3.15Å; R314-P326 WeakPolarHBondContact CD-O 3.45Å; R314-P326 PolarHBondContact NE-O 3.02Å
315L95.6Very high92.8Very high12 Ų1246.6 Ų46.66%0.06325%0.246CC..Hα-helixtrans-55-44.8174.6-17976.8000110.9H103 C105 I109 L113 L138 G311 A312 A313 V317 H318H103-L315 HydrophobicContact CB-CD2 4.1Å; H103-L315 HydrophobicContact CB-CG 4.28Å; C105-L315 HydrophobicContact CB-CD2 3.73Å; C105-L315 VanDerWaalsContact SG-CD2 3.51Å; I109-L315 HydrophobicContact CG2-CD1 3.99Å; L113-L315 HydrophobicContact CD1-CB 3.61Å; L113-L315 HydrophobicContact CD1-CD1 3.64Å; L113-L315 HydrophobicContact CD1-CG 4.25Å; L138-L315 HydrophobicContact CD1-CD1 4.1Å; G311-L315 PolarHBondContact O-N 2.82Å; A312-L315 VanDerWaalsContact O-CB 3.3Å; A312-L315 WeakPolarHBondContact O-CB 3.14Å; A312-L315 PolarHBondContact O-N 3.07Å; A313-L315 VanDerWaalsContact C-N 3.34Å; A313-L315 PolarHBondContact O-N 3.02Å; L315-V317 PolarHBondContact O-N 3.43Å; L315-H318 PolarHBondContact O-CD2 2.85Å; L315-H318 PolarHBondContact O-N 2.99Å; L315-H318 VanDerWaalsContact O-N 3.15Å
316S96.2Very high92.9Very high1 Ų144.1 Ų44.11%0.00724%0.242CC..Hα-helixtrans-64.7-14-175.774.70000114.4I5 R70 A312 A313 R314I5-S316 WeakPolarHBondContact CG2-OG 3.38Å; R70-S316 WeakPolarHBondContact CB-OG 3.45Å; R70-S316 VanDerWaalsContact CD-O 3.31Å; R70-S316 WeakPolarHBondContact CD-O 3.49Å; A312-S316 PolarHBondContact O-N 3.26Å; A313-S316 PolarHBondContact O-N 2.95Å; A313-S316 VanDerWaalsContact O-N 3.14Å; A313-S316 PolarHBondContact O-OG 3.27Å; R314-S316 VanDerWaalsContact C-N 3.26Å; R314-S316 PolarHBondContact O-N 3.35Å
317V95.3Very high93.2Very high5 Ų542.6 Ų42.63%0.0324%0.239CC..Hα-helixtrans-1207.6176.8-67.40000113.7F3 I5 R70 R314 L315 S319 D320 V323 I325F3-V317 HydrophobicContact CE1-CG1 4.32Å; I5-V317 HydrophobicContact CD1-CG1 3.83Å; I5-V317 HydrophobicContact CG1-CG1 4.29Å; I5-V317 HydrophobicContact CG2-CG1 4.42Å; R70-V317 HydrophobicContact CB-CG1 4.31Å; R70-V317 HydrophobicContact CG-CG1 3.72Å; R314-V317 WeakPolarHBondContact O-CG2 3.42Å; R314-V317 PolarHBondContact O-N 2.93Å; R314-V317 VanDerWaalsContact O-N 3.16Å; L315-V317 PolarHBondContact O-N 3.43Å; V317-S319 PolarHBondContact O-N 2.92Å; V317-D320 HydrophobicContact CB-CB 4.48Å; V317-D320 PolarHBondContact O-N 3.44Å; V317-V323 HydrophobicContact CB-CB 4.27Å; V317-V323 HydrophobicContact CB-CG1 4.11Å; V317-V323 HydrophobicContact CG1-CB 4.3Å; V317-V323 HydrophobicContact CG1-CG1 3.96Å; V317-V323 HydrophobicContact CG2-CG1 4.23Å; V317-I325 HydrophobicContact CG2-CD1 3.69Å; V317-I325 HydrophobicContact CG2-CG1 4.06Å
318H91.3Very high93.2Very high105 Ų10542.4 Ų42.449%0.48624%0.236SC..THydrogen-bonded Turntrans-60.8-25.3-172.481.767.7000113.4L138 R314 L315L138-H318 HydrophobicContact CD1-CB 4.43Å; R314-H318 PolarHBondContact O-N 2.81Å; R314-H318 VanDerWaalsContact O-N 3.08Å; L315-H318 PolarHBondContact O-CD2 2.85Å; L315-H318 PolarHBondContact O-N 2.99Å; L315-H318 VanDerWaalsContact O-N 3.15Å
319S87.7Confident92.9Very high85 Ų8546.6 Ų46.659%0.59427%0.266SS*.THydrogen-bonded Turntrans-98.3-2.6179.356.10000113.3V317V317-S319 PolarHBondContact O-N 2.92Å
320D89.8Confident92.6Very high37 Ų3746.9 Ų46.920%0.19827%0.268CS..  trans-93.1105.4180-167.4-24.8000110.4R70 V317 K322 V323R70-D320 IonicContact NH2-OD2 3.34Å; V317-D320 HydrophobicContact CB-CB 4.48Å; V317-D320 PolarHBondContact O-N 3.44Å; D320-K322 PolarHBondContact O-N 3.38Å; D320-K322 VanDerWaalsContact O-N 3.11Å; D320-K322 WeakPolarHBondContact OD1-CB 3.48Å; D320-K322 PolarHBondContact OD1-N 2.79Å; D320-V323 HydrophobicContact CB-CB 4.47Å; D320-V323 PolarHBondContact O-N 3.18Å
321S85.2Confident92.5Very high116 Ų11649.1 Ų49.181%0.81128%0.284SS*.THydrogen-bonded Turntrans-67.4-9.2-179.459.10000114.5
322K87.8Confident92.5Very high189 Ų18953.9 Ų53.982%0.82231%0.307SS*.THydrogen-bonded Turntrans-95.1-12.9179.2-59.8178-177.1173.40113.1D320D320-K322 PolarHBondContact O-N 3.38Å; D320-K322 VanDerWaalsContact O-N 3.11Å; D320-K322 WeakPolarHBondContact OD1-CB 3.48Å; D320-K322 PolarHBondContact OD1-N 2.79Å
323V90.5Very high92.5Very high13 Ų1356.7 Ų56.78%0.07932%0.319CS..  trans-125110.1-174.8-176.10000109.3F3 I5 V317 D320 I325F3-V323 HydrophobicContact CD1-CG2 4.37Å; F3-V323 HydrophobicContact CE1-CG1 4.28Å; F3-V323 HydrophobicContact CE1-CG2 3.79Å; F3-V323 HydrophobicContact CZ-CG2 3.94Å; I5-V323 HydrophobicContact CD1-CG1 3.83Å; V317-V323 HydrophobicContact CB-CB 4.27Å; V317-V323 HydrophobicContact CB-CG1 4.11Å; V317-V323 HydrophobicContact CG1-CB 4.3Å; V317-V323 HydrophobicContact CG1-CG1 3.96Å; V317-V323 HydrophobicContact CG2-CG1 4.23Å; D320-V323 HydrophobicContact CB-CB 4.47Å; D320-V323 PolarHBondContact O-N 3.18Å; V323-I325 HydrophobicContact CG1-CG1 4.47Å
324T87.6Confident92.4Very high114 Ų11458 Ų5870%0.69933%0.326SS*.  trans-115.6106.5179.3-54.40000109.6
325I92.8Very high92.5Very high5 Ų560.7 Ų60.73%0.02634%0.339CS..PPolyproline II helixtrans-92.7123.1170.1-60177.6000108.1I5 L20 Y310 R314 V317 V323I5-I325 HydrophobicContact CD1-CD1 3.77Å; I5-I325 HydrophobicContact CD1-CG1 4.46Å; I5-I325 HydrophobicContact CG2-CD1 4.29Å; L20-I325 HydrophobicContact CD1-CD1 3.99Å; L20-I325 HydrophobicContact CD1-CG2 4.41Å; Y310-I325 HydrophobicContact CE1-CG2 3.97Å; Y310-I325 HydrophobicContact CE2-CG2 4.18Å; Y310-I325 WeakPolarHBondContact OH-CG2 3.33Å; R314-I325 HydrophobicContact CG-CB 3.86Å; R314-I325 HydrophobicContact CG-CG2 3.51Å; R314-I325 PolarHBondContact NE-O 2.79Å; R314-I325 PolarHBondContact NH2-O 3.13Å; R314-I325 VanDerWaalsContact NH2-O 3.15Å; V317-I325 HydrophobicContact CG2-CD1 3.69Å; V317-I325 HydrophobicContact CG2-CG1 4.06Å; V323-I325 HydrophobicContact CG1-CG1 4.47Å
326P93.1Very high92.5Very high71 Ų7160.5 Ų60.546%0.46134%0.338SS..PPolyproline II helixtrans-65.2158.9-17927.8-34.5000112.2Y310 R314Y310-P326 VanDerWaalsContact CE1-O 3.3Å; Y310-P326 WeakPolarHBondContact CE1-O 3.32Å; Y310-P326 PolarHBondContact OH-O 3.29Å; R314-P326 WeakPolarHBondContact CD-O 3.45Å; R314-P326 PolarHBondContact NE-O 3.02Å
327T93.6Very high92.5Very high55 Ų5564 Ų6434%0.33736%0.362SS..PPolyproline II helixtrans-68.2152.3164.942.60000110.2D117D117-T327 HydrophobicContact CB-CG2 4.4Å
328D92.3Very high92.5Very high18 Ų1864 Ų6410%0.09636%0.362CS..PPolyproline II helixtrans-78.8153.8161.5-175.416.6000110.3T114 V115 K305 H306 G330T114-D328 HydrophobicContact CG2-CB 4.2Å; T114-D328 WeakPolarHBondContact O-CB 3.38Å; T114-D328 PolarHBondContact O-N 2.87Å; V115-D328 WeakPolarHBondContact CA-O 3.39Å; V115-D328 HydrophobicContact CG1-CB 4.27Å; K305-D328 WeakPolarHBondContact CB-OD2 3.36Å; H306-D328 IonicContact CE1-OD1 3.09Å; H306-D328 IonicContact CE1-OD2 3.33Å; H306-D328 IonicContact CG-OD2 3.17Å; H306-D328 PolarHBondContact N-OD2 3.21Å; H306-D328 IonicContact ND1-OD1 2.78Å; H306-D328 IonicContact ND1-OD2 2.68Å; H306-D328 PolarHBondContact ND1-OD2 3.47Å; D328-G330 VanDerWaalsContact C-N 3.32Å; D328-G330 PolarHBondContact O-N 2.99Å
329S88.2Confident92.6Very high90 Ų9059.3 Ų59.363%0.62934%0.342SS*.  trans-70.9-19.2179.954.90000114.9K305K305-S329 PolarHBondContact NZ-OG 3.48Å
330G91.9Very high92.8Very high6 Ų655.6 Ų55.66%0.06232%0.316CS..  trans57.5-175.9-170.600000113.6Q303 K305 D328Q303-G330 CarbonylContact O-C 3.51Å; Q303-G330 VanDerWaalsContact O-CA 3.3Å; Q303-G330 WeakPolarHBondContact O-CA 3.33Å; K305-G330 WeakPolarHBondContact CE-O 3.14Å; K305-G330 PolarHBondContact NZ-O 3.23Å; D328-G330 VanDerWaalsContact C-N 3.32Å; D328-G330 PolarHBondContact O-N 2.99Å
331V95.6Very high92.8Very high69 Ų6956.9 Ų56.942%0.41833%0.325SS..EExtended strand (participates in β ladder)trans-130.5110.1171.2-176.80000108.5V302 Q303 K305 F333V302-V331 CarbonylContact C-O 3.6Å; V302-V331 WeakPolarHBondContact CA-O 3.17Å; Q303-V331 PolarHBondContact N-O 3.31Å; Q303-V331 PolarHBondContact O-N 3.27Å; K305-V331 HydrophobicContact CD-CG2 4.08Å; K305-V331 HydrophobicContact CG-CG2 3.5Å; V331-F333 PolarHBondContact O-N 3.18Å
332Q96.3Very high92.9Very high101 Ų10156 Ų5647%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-67.9122.3167.7-170.6-168.6-44.200109L301 V302 D334L301-Q332 WeakPolarHBondContact O-CA 3.29Å; V302-Q332 HydrophobicContact CG1-CB 4.15Å; V302-Q332 HydrophobicContact CG1-CG 4.46Å; Q332-D334 WeakPolarHBondContact CG-O 3.39Å
333F97Very high93.2Very high58 Ų5849.3 Ų49.325%0.25428%0.281SS..EExtended strand (participates in β ladder)trans-113.1-16179.770.2-86.8000112.9C268 F273 W276 L301 Q303 V331C268-F333 HydrophobicContact CB-CE1 3.9Å; C268-F333 HydrophobicContact CB-CZ 4.06Å; F273-F333 HydrophobicContact CD1-CZ 4.37Å; W276-F333 HydrophobicContact CB-CE2 4.34Å; W276-F333 AromaticContact CD1-CD2 3.78Å; W276-F333 AromaticContact CD1-CE2 3.64Å; W276-F333 AromaticContact CD2-CE2 3.73Å; W276-F333 HydrophobicContact CD2-CE2 3.73Å; W276-F333 AromaticContact CE2-CE2 3.81Å; W276-F333 HydrophobicContact CE3-CE2 4.38Å; W276-F333 HydrophobicContact CG-CD2 4.16Å; W276-F333 AromaticContact CG-CE2 3.65Å; W276-F333 HydrophobicContact CG-CE2 3.65Å; W276-F333 AromaticContact NE1-CD2 3.99Å; W276-F333 AromaticContact NE1-CE2 3.7Å; L301-F333 HydrophobicContact CB-CD1 4.34Å; L301-F333 HydrophobicContact CB-CE1 3.68Å; L301-F333 HydrophobicContact CB-CE2 4.24Å; L301-F333 HydrophobicContact CB-CZ 3.64Å; L301-F333 HydrophobicContact CD2-CE2 4.23Å; L301-F333 HydrophobicContact CD2-CZ 3.9Å; L301-F333 HydrophobicContact CG-CZ 4.34Å; L301-F333 VanDerWaalsContact O-CD1 3.3Å; L301-F333 WeakPolarHBondContact O-CD1 3.35Å; L301-F333 PolarHBondContact O-N 2.96Å; Q303-F333 HydrophobicContact CB-CD1 4.35Å; Q303-F333 HydrophobicContact CG-CD1 3.7Å; Q303-F333 HydrophobicContact CG-CE1 3.7Å; V331-F333 PolarHBondContact O-N 3.18Å
334D97.3Very high93.3Very high27 Ų2751.2 Ų51.214%0.14429%0.292CS..EExtended strand (participates in β ladder)trans-153.4163.1172.8-141.6-33.8000111.4W276 K280 L301 Q332W276-D334 HydrophobicContact CZ2-CB 4.39Å; W276-D334 PolarHBondContact NE1-OD2 3.3Å; K280-D334 WeakPolarHBondContact CE-OD2 3.31Å; K280-D334 IonicContact NZ-OD1 3.79Å; K280-D334 IonicContact NZ-OD2 2.79Å; K280-D334 PolarHBondContact NZ-OD2 3.46Å; L301-D334 HydrophobicContact CB-CB 4.34Å; L301-D334 PolarHBondContact N-O 3.11Å; Q332-D334 WeakPolarHBondContact CG-O 3.39Å
335K97.3Very high93.7Very high98 Ų9847.7 Ų47.743%0.42627%0.269SS..EExtended strand (participates in β ladder)trans-143.4117.9173.7-176.8167.7-177.41540108.2T298 L299 E300T298-K335 HydrophobicContact CG2-CD 3.98Å; T298-K335 HydrophobicContact CG2-CG 3.35Å; L299-K335 WeakPolarHBondContact O-CA 3.06Å; E300-K335 HydrophobicContact CG-CD 4.22Å; E300-K335 HydrophobicContact CG-CG 4.31Å; E300-K335 IonicContact OE1-NZ 2.62Å; E300-K335 PolarHBondContact OE1-NZ 3.46Å
336I96.3Very high93.7Very high8 Ų850.2 Ų50.24%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-125.1140.3-173.571.4170.5000111.1F283 I284 L287 T298 L299 L301F283-I336 HydrophobicContact CD1-CD1 3.54Å; F283-I336 HydrophobicContact CE1-CD1 3.42Å; F283-I336 VanDerWaalsContact CE1-CD1 3.42Å; I284-I336 HydrophobicContact CD1-CG2 3.92Å; I284-I336 HydrophobicContact CG1-CB 4.44Å; I284-I336 HydrophobicContact CG1-CD1 4.35Å; I284-I336 HydrophobicContact CG1-CG2 3.96Å; L287-I336 HydrophobicContact CD1-CD1 4.24Å; T298-I336 CarbonylContact C-O 3.56Å; T298-I336 WeakPolarHBondContact CA-O 3.47Å; T298-I336 WeakPolarHBondContact CG2-O 3.34Å; L299-I336 HydrophobicContact CB-CG1 3.95Å; L299-I336 HydrophobicContact CD1-CD1 4.3Å; L299-I336 HydrophobicContact CD1-CG1 4.36Å; L299-I336 HydrophobicContact CG-CG1 4.48Å; L299-I336 PolarHBondContact N-O 3.18Å; L299-I336 PolarHBondContact O-N 3.03Å; L301-I336 HydrophobicContact CD1-CD1 4.33Å; L301-I336 HydrophobicContact CD1-CG1 3.98Å
337S95.7Very high93.7Very high74 Ų7448.9 Ų48.952%0.51727%0.272SS..EExtended strand (participates in β ladder)trans-76.2143.4168.9-560000109.8G297G297-S337 CarbonylContact O-C 3.59Å; G297-S337 WeakPolarHBondContact O-CA 3.48Å
338F95.1Very high93.8Very high4 Ų448.5 Ų48.52%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-124.4152.2171.975-89.6000111.5L250 L287 T296 G297 L299 V340L250-F338 HydrophobicContact CD1-CD2 3.83Å; L250-F338 HydrophobicContact CD1-CE2 3.96Å; L250-F338 HydrophobicContact CD1-CG 4.18Å; L250-F338 HydrophobicContact CD1-CZ 4.39Å; L250-F338 HydrophobicContact CD2-CE1 4.35Å; L250-F338 HydrophobicContact CD2-CE2 4.19Å; L250-F338 HydrophobicContact CD2-CZ 3.93Å; L287-F338 HydrophobicContact CB-CB 4.12Å; L287-F338 CarbonylContact O-C 3.55Å; L287-F338 WeakPolarHBondContact O-CA 3.2Å; T296-F338 VanDerWaalsContact CA-O 3.23Å; T296-F338 WeakPolarHBondContact CA-O 3.32Å; G297-F338 VanDerWaalsContact CA-CE1 3.41Å; G297-F338 PolarHBondContact N-O 2.95Å; G297-F338 VanDerWaalsContact N-O 3.08Å; G297-F338 WeakPolarHBondContact O-CD1 3.18Å; G297-F338 PolarHBondContact O-N 3.37Å; L299-F338 HydrophobicContact CD1-CD1 4.43Å; L299-F338 HydrophobicContact CD2-CD1 3.82Å; L299-F338 HydrophobicContact CD2-CE1 3.9Å; L299-F338 HydrophobicContact CG-CD1 3.69Å; L299-F338 HydrophobicContact CG-CE1 4.27Å; L299-F338 HydrophobicContact CG-CG 4.39Å; F338-V340 HydrophobicContact CD2-CG1 4.17Å; F338-V340 HydrophobicContact CD2-CG2 4.2Å; F338-V340 HydrophobicContact CE2-CG2 4.18Å
339G93.8Very high93.9Very high8 Ų850.7 Ų50.78%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-139.7130.4163.400000110.2L287 W295L287-G339 PolarHBondContact O-N 3.13Å; W295-G339 CarbonylContact O-C 3.52Å; W295-G339 VanDerWaalsContact O-CA 3.25Å; W295-G339 WeakPolarHBondContact O-CA 3.48Å
340V91.7Very high94.3Very high7 Ų747.7 Ų47.74%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-138.1152.7-174.7-620000110.6R247 L250 L287 E294 W295 F338 F342R247-V340 HydrophobicContact CG-CB 4.25Å; R247-V340 HydrophobicContact CG-CG1 3.8Å; L250-V340 HydrophobicContact CD1-CG1 4.38Å; L287-V340 HydrophobicContact CD2-CG1 4.08Å; E294-V340 PolarHBondContact N-O 3.23Å; E294-V340 VanDerWaalsContact N-O 3.13Å; W295-V340 HydrophobicContact CB-CG2 3.99Å; W295-V340 PolarHBondContact N-O 2.79Å; W295-V340 PolarHBondContact O-N 2.9Å; F338-V340 HydrophobicContact CD2-CG1 4.17Å; F338-V340 HydrophobicContact CD2-CG2 4.2Å; F338-V340 HydrophobicContact CE2-CG2 4.18Å; V340-F342 HydrophobicContact CB-CE1 4.36Å; V340-F342 HydrophobicContact CB-CZ 4.33Å; V340-F342 HydrophobicContact CG2-CE1 4.02Å; V340-F342 HydrophobicContact CG2-CE2 3.96Å; V340-F342 HydrophobicContact CG2-CZ 3.5Å
341T89.4Confident94.5Very high64 Ų6451.2 Ų51.239%0.39327%0.269SS..  trans-133.5134.9170.4-55.60000106.2N292 E294N292-T341 PolarHBondContact O-OG1 2.87Å; E294-T341 HydrophobicContact CB-CG2 4.47Å; E294-T341 HydrophobicContact CG-CG2 3.9Å; E294-T341 PolarHBondContact N-OG1 3.28Å
342F88.3Confident94.4Very high96 Ų9649.5 Ų49.542%0.42126%0.256SS..  trans-101.60-168.2-67.7-56.5000113.8R247 L250 F251 V254 W295 V340R247-F342 HydrophobicContact CG-CE1 4.13Å; R247-F342 WeakPolarHBondContact O-CE1 3.46Å; L250-F342 HydrophobicContact CB-CZ 4.03Å; F251-F342 HydrophobicContact CB-CD1 3.86Å; F251-F342 HydrophobicContact CB-CE1 3.65Å; F251-F342 HydrophobicContact CB-CE2 4.37Å; F251-F342 HydrophobicContact CB-CG 4.33Å; F251-F342 HydrophobicContact CB-CZ 3.94Å; F251-F342 HydrophobicContact CD2-CB 3.82Å; F251-F342 AromaticContact CD2-CD1 3.89Å; F251-F342 HydrophobicContact CD2-CD1 3.89Å; F251-F342 AromaticContact CD2-CD2 3.86Å; F251-F342 HydrophobicContact CD2-CD2 3.86Å; F251-F342 HydrophobicContact CD2-CE1 4.44Å; F251-F342 HydrophobicContact CD2-CE2 4.41Å; F251-F342 AromaticContact CD2-CG 3.59Å; F251-F342 HydrophobicContact CD2-CG 3.59Å; F251-F342 HydrophobicContact CE2-CB 4.26Å; F251-F342 HydrophobicContact CE2-CG 4.45Å; F251-F342 HydrophobicContact CG-CD1 4.35Å; F251-F342 HydrophobicContact CG-CG 4.45Å; F251-F342 VanDerWaalsContact N-CZ 3.28Å; V254-F342 HydrophobicContact CB-CE2 4.06Å; V254-F342 HydrophobicContact CG1-CE2 4.22Å; V254-F342 HydrophobicContact CG2-CE2 3.98Å; W295-F342 HydrophobicContact CD2-CD2 4.05Å; W295-F342 AromaticContact CD2-CE2 3.99Å; W295-F342 HydrophobicContact CD2-CE2 3.99Å; W295-F342 AromaticContact CE3-CD2 3.44Å; W295-F342 HydrophobicContact CE3-CD2 3.44Å; W295-F342 VanDerWaalsContact CE3-CD2 3.44Å; W295-F342 AromaticContact CE3-CE2 3.7Å; W295-F342 HydrophobicContact CE3-CE2 3.7Å; W295-F342 HydrophobicContact CE3-CG 4.35Å; W295-F342 HydrophobicContact CG-CE2 4.48Å; W295-F342 AromaticContact CH2-CD2 3.89Å; W295-F342 HydrophobicContact CH2-CD2 3.89Å; W295-F342 HydrophobicContact CZ2-CD2 4.41Å; W295-F342 HydrophobicContact CZ3-CB 4.11Å; W295-F342 AromaticContact CZ3-CD2 3.36Å; W295-F342 HydrophobicContact CZ3-CD2 3.36Å; W295-F342 HydrophobicContact CZ3-CE2 4.11Å; W295-F342 HydrophobicContact CZ3-CG 4.06Å; V340-F342 HydrophobicContact CB-CE1 4.36Å; V340-F342 HydrophobicContact CB-CZ 4.33Å; V340-F342 HydrophobicContact CG2-CE1 4.02Å; V340-F342 HydrophobicContact CG2-CE2 3.96Å; V340-F342 HydrophobicContact CG2-CZ 3.5Å

Retrieved 342 of 342 residues in 79.2 ms (Link to these results)

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