A0A077Z718_TRITR Loading...

Signal recognition particle receptor subunit

AlphaFold DB , UniProt , Accession A0A077Z718, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 634 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
1M78Confident84.2Confident116 Ų11630 Ų3057%0.57119%0.187SC*.  0149.80-169173.7-77.700106.5Q20 H72 S76M1-Q20 PolarHBondContact SD-OE1 3.11Å; M1-H72 VanDerWaalsContact O-CB 3.26Å; M1-H72 WeakPolarHBondContact O-CB 3.49Å; M1-S76 PolarHBondContact N-OG 2.89Å; M1-S76 VanDerWaalsContact N-OG 3.11Å
2I85.3Confident83.5Confident0 Ų032.3 Ų32.30%022%0.221CC..EExtended strand (participates in β ladder)trans-80.2121.4177.8-58.8-55.3000108Q20 V70 H72 P78 Y80 V81 L84 L127I2-Q20 PolarHBondContact O-OE1 3.14Å; I2-Q20 VanDerWaalsContact O-OE1 3.13Å; I2-V70 HydrophobicContact CD1-CG1 3.64Å; I2-V70 HydrophobicContact CG1-CG1 4.27Å; I2-V70 HydrophobicContact CG2-CG1 3.77Å; I2-H72 HydrophobicContact CD1-CB 4.27Å; I2-P78 HydrophobicContact CD1-CG 4.42Å; I2-Y80 HydrophobicContact CD1-CE2 4.35Å; I2-Y80 HydrophobicContact CG1-CE2 4.21Å; I2-V81 HydrophobicContact CD1-CG1 4.45Å; I2-V81 HydrophobicContact CD1-CG2 3.92Å; I2-L84 HydrophobicContact CD1-CD2 4.04Å; I2-L84 HydrophobicContact CG1-CD2 3.69Å; I2-L127 HydrophobicContact CB-CD1 4.07Å; I2-L127 HydrophobicContact CG1-CD1 3.64Å
3D86.1Confident83.1Confident17 Ų1732.2 Ų32.29%0.09122%0.223CC..EExtended strand (participates in β ladder)trans-97.1-27-174.5-58.2-66.1000111.9Q20 I27 A71 H72 Q73D3-Q20 PolarHBondContact O-N 3.47Å; D3-I27 HydrophobicContact CB-CD1 3.35Å; D3-A71 PolarHBondContact N-O 2.82Å; D3-H72 WeakPolarHBondContact OD2-CA 3.23Å; D3-Q73 WeakPolarHBondContact OD2-CG 3.11Å; D3-Q73 PolarHBondContact OD2-N 3.37Å
4Y89.9Confident83.1Confident0 Ų035.3 Ų35.30%024%0.24CC..EExtended strand (participates in β ladder)trans-149.3140.1-178.6-173.4-98.5000111.3A6 Y8 A17 Y18 E19 I27 Q28 V31 L69 A71Y4-A6 HydrophobicContact CE1-CB 3.59Å; Y4-Y8 WeakPolarHBondContact CE1-OH 3.42Å; Y4-Y8 PolarHBondContact OH-OH 3.02Å; Y4-A17 HydrophobicContact CE2-CB 4.49Å; Y4-Y18 WeakPolarHBondContact CA-O 3.36Å; Y4-E19 HydrophobicContact CD2-CG 3.8Å; Y4-E19 HydrophobicContact CE2-CG 3.76Å; Y4-I27 HydrophobicContact CD1-CG2 4.3Å; Y4-I27 HydrophobicContact CG-CG2 4.05Å; Y4-Q28 HydrophobicContact CE2-CB 4.1Å; Y4-Q28 HydrophobicContact CE2-CG 4.26Å; Y4-V31 HydrophobicContact CD1-CG2 4.11Å; Y4-V31 HydrophobicContact CE1-CG2 3.72Å; Y4-L69 HydrophobicContact CD1-CD2 3.66Å; Y4-L69 HydrophobicContact CE1-CD2 3.92Å; Y4-A71 PolarHBondContact N-O 2.84Å; Y4-A71 PolarHBondContact O-N 2.91Å
5A91Very high83.1Confident0 Ų033.8 Ų33.80%023%0.229CC..EExtended strand (participates in β ladder)trans-143.1144.3167.200000110.2W16 A17 Y18 L69 V70 F123A5-W16 HydrophobicContact CB-CH2 4.43Å; A5-W16 HydrophobicContact CB-CZ3 4.09Å; A5-A17 CarbonylContact O-C 3.39Å; A5-A17 WeakPolarHBondContact O-CA 3.5Å; A5-Y18 PolarHBondContact N-O 3.01Å; A5-Y18 PolarHBondContact O-N 3.13Å; A5-L69 CarbonylContact C-O 3.53Å; A5-L69 WeakPolarHBondContact CA-O 3.33Å; A5-V70 HydrophobicContact CB-CG2 4.07Å; A5-F123 HydrophobicContact CB-CE1 3.85Å; A5-F123 HydrophobicContact CB-CE2 4.02Å; A5-F123 HydrophobicContact CB-CZ 3.41Å; A5-F123 VanDerWaalsContact CB-CZ 3.41Å
6A90.6Very high83.4Confident0 Ų032.5 Ų32.50%022%0.218CC..EExtended strand (participates in β ladder)trans-153.2156.3179.900000112.8Y4 Y8 W16 A17 L69Y4-A6 HydrophobicContact CE1-CB 3.59Å; A6-Y8 HydrophobicContact CB-CD2 4.24Å; A6-Y8 HydrophobicContact CB-CE2 3.44Å; A6-Y8 VanDerWaalsContact CB-CE2 3.44Å; A6-Y8 WeakPolarHBondContact CB-OH 3.22Å; A6-W16 CarbonylContact C-O 3.5Å; A6-W16 VanDerWaalsContact CA-O 3.25Å; A6-W16 WeakPolarHBondContact CA-O 3.44Å; A6-W16 WeakPolarHBondContact CB-O 3.24Å; A6-A17 HydrophobicContact CB-CB 4.12Å; A6-L69 PolarHBondContact N-O 3.41Å; A6-L69 PolarHBondContact O-N 2.9Å
7V89.4Confident83.7Confident0 Ų032.8 Ų32.80%022%0.223CC..EExtended strand (participates in β ladder)trans-116.6122.1169.5-171.70000108.1L15 W16 L66 I67 F68 F88 F92V7-L15 HydrophobicContact CB-CB 4.44Å; V7-L15 HydrophobicContact CG1-CB 4.49Å; V7-L15 HydrophobicContact CG1-CD1 4.34Å; V7-L15 PolarHBondContact O-N 3.04Å; V7-W16 HydrophobicContact CG2-CE3 4.16Å; V7-W16 PolarHBondContact N-O 2.99Å; V7-W16 PolarHBondContact O-N 3.18Å; V7-L66 HydrophobicContact CG1-CB 4.3Å; V7-L66 HydrophobicContact CG1-CD1 4.31Å; V7-I67 CarbonylContact C-O 3.26Å; V7-I67 WeakPolarHBondContact CA-O 3.34Å; V7-F68 HydrophobicContact CB-CE1 4.46Å; V7-F68 HydrophobicContact CG1-CD1 4.31Å; V7-F68 HydrophobicContact CG1-CE1 3.97Å; V7-F68 HydrophobicContact CG1-CZ 4.13Å; V7-F68 HydrophobicContact CG2-CD1 3.68Å; V7-F68 HydrophobicContact CG2-CE1 3.63Å; V7-F88 HydrophobicContact CG2-CE1 3.88Å; V7-F88 HydrophobicContact CG2-CE2 4.36Å; V7-F88 HydrophobicContact CG2-CZ 3.43Å; V7-F88 VanDerWaalsContact CG2-CZ 3.43Å; V7-F92 HydrophobicContact CB-CE2 4.23Å; V7-F92 HydrophobicContact CB-CZ 4.35Å; V7-F92 HydrophobicContact CG1-CE1 4.18Å; V7-F92 HydrophobicContact CG1-CE2 4.32Å; V7-F92 HydrophobicContact CG1-CZ 4.01Å; V7-F92 HydrophobicContact CG2-CD2 3.87Å; V7-F92 HydrophobicContact CG2-CE2 3.83Å; V7-F92 HydrophobicContact CG2-CG 4.46Å; V7-F92 HydrophobicContact CG2-CZ 4.36Å
8Y86.5Confident84Confident12 Ų1232.4 Ų32.45%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-111.7147.9175.4-55.1-92.6000110.1Y4 A6 A13 V14 V31 L35 L66 I67 L69Y4-Y8 WeakPolarHBondContact CE1-OH 3.42Å; Y4-Y8 PolarHBondContact OH-OH 3.02Å; A6-Y8 HydrophobicContact CB-CD2 4.24Å; A6-Y8 HydrophobicContact CB-CE2 3.44Å; A6-Y8 VanDerWaalsContact CB-CE2 3.44Å; A6-Y8 WeakPolarHBondContact CB-OH 3.22Å; Y8-A13 CarbonylContact C-O 3.44Å; Y8-A13 VanDerWaalsContact CA-O 3.23Å; Y8-A13 WeakPolarHBondContact CA-O 3.4Å; Y8-V14 HydrophobicContact CD1-CB 4.29Å; Y8-V14 HydrophobicContact CD1-CG1 4.43Å; Y8-V14 HydrophobicContact CD1-CG2 3.79Å; Y8-V14 HydrophobicContact CE1-CB 4.29Å; Y8-V14 HydrophobicContact CE1-CG1 4.19Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; Y8-V31 HydrophobicContact CE2-CG1 4.07Å; Y8-V31 WeakPolarHBondContact OH-CG1 2.98Å; Y8-L35 HydrophobicContact CD1-CD1 4.42Å; Y8-L35 HydrophobicContact CD2-CD1 4.1Å; Y8-L35 HydrophobicContact CE1-CD1 4.46Å; Y8-L35 HydrophobicContact CE2-CD1 4.14Å; Y8-L35 HydrophobicContact CG-CD1 4.26Å; Y8-L66 CarbonylContact O-C 3.54Å; Y8-L66 WeakPolarHBondContact O-CA 3.44Å; Y8-I67 PolarHBondContact N-O 3.42Å; Y8-I67 PolarHBondContact O-N 3.11Å; Y8-L69 HydrophobicContact CE2-CB 4.2Å
9C82.8Confident84Confident27 Ų2734.5 Ų34.518%0.18222%0.223CC..EExtended strand (participates in β ladder)trans-68.9149.5157.2-67.90000109.2G11 G12 A13 L15C9-G11 PolarHBondContact O-N 3.37Å; C9-G12 PolarHBondContact O-N 2.66Å; C9-A13 HydrophobicContact CB-CB 4.36Å; C9-A13 PolarHBondContact N-O 3.2Å; C9-L15 WeakPolarHBondContact SG-CD2 3.43Å; C9-L15 VanDerWaalsContact SG-CG 3.58Å
10K76Confident83.8Confident77 Ų7736.3 Ų36.334%0.33523%0.228SC..THydrogen-bonded Turntrans-57.1-20.7169.6-74.7-178.1-171.8166.60113.6G12 N62 D65 I67K10-G12 PolarHBondContact O-N 2.8Å; K10-N62 WeakPolarHBondContact CE-OD1 3.45Å; K10-N62 PolarHBondContact NZ-OD1 2.98Å; K10-D65 HydrophobicContact CB-CB 4.21Å; K10-D65 HydrophobicContact CD-CB 3.86Å; K10-D65 HydrophobicContact CG-CB 4.14Å; K10-D65 WeakPolarHBondContact CG-O 3.02Å; K10-D65 PolarHBondContact N-O 3.45Å; K10-D65 IonicContact NZ-OD1 2.77Å; K10-D65 PolarHBondContact NZ-OD1 3.25Å; K10-I67 HydrophobicContact CG-CD1 4.21Å; K10-I67 HydrophobicContact CG-CG1 4.03Å
11G71.2Confident83.1Confident81 Ų8137.4 Ų37.484%0.83525%0.247SC*.THydrogen-bonded Turntrans-73.7-2.7170.600000115.3C9C9-G11 PolarHBondContact O-N 3.37Å
12G74.8Confident82.4Confident57 Ų5737.2 Ų37.259%0.58825%0.253SS*.SBendtrans92.60.3176.500000115.7C9 K10C9-G12 PolarHBondContact O-N 2.66Å; K10-G12 PolarHBondContact O-N 2.8Å
13A78.5Confident81.4Confident31 Ų3141.3 Ų41.326%0.25627%0.272SS..  trans-79.4141.6175.700000111.6Y8 C9 L110Y8-A13 CarbonylContact C-O 3.44Å; Y8-A13 VanDerWaalsContact CA-O 3.23Å; Y8-A13 WeakPolarHBondContact CA-O 3.4Å; C9-A13 HydrophobicContact CB-CB 4.36Å; C9-A13 PolarHBondContact N-O 3.2Å; A13-L110 HydrophobicContact CB-CD2 3.14Å
14V83.5Confident80.3Confident76 Ų7640.5 Ų40.546%0.46127%0.267SS..EExtended strand (participates in β ladder)trans-85.2121.4175.3-165.80000108.9Y8 A17Y8-V14 HydrophobicContact CD1-CB 4.29Å; Y8-V14 HydrophobicContact CD1-CG1 4.43Å; Y8-V14 HydrophobicContact CD1-CG2 3.79Å; Y8-V14 HydrophobicContact CE1-CB 4.29Å; Y8-V14 HydrophobicContact CE1-CG1 4.19Å; Y8-V14 HydrophobicContact CE1-CG2 3.54Å; V14-A17 HydrophobicContact CG1-CB 4.22Å
15L83.2Confident79.1Confident13 Ų1346.5 Ų46.57%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-88.2-40.3173.7-63.7-172.5000111.5V7 C9 L66 F92 L109 F116V7-L15 HydrophobicContact CB-CB 4.44Å; V7-L15 HydrophobicContact CG1-CB 4.49Å; V7-L15 HydrophobicContact CG1-CD1 4.34Å; V7-L15 PolarHBondContact O-N 3.04Å; C9-L15 WeakPolarHBondContact SG-CD2 3.43Å; C9-L15 VanDerWaalsContact SG-CG 3.58Å; L15-L66 HydrophobicContact CD1-CD2 3.43Å; L15-L66 VanDerWaalsContact CD1-CD2 3.43Å; L15-F92 HydrophobicContact CD1-CZ 4.48Å; L15-L109 HydrophobicContact CD2-CB 4.33Å; L15-F116 HydrophobicContact CB-CD2 3.97Å; L15-F116 HydrophobicContact CB-CE2 3.88Å; L15-F116 HydrophobicContact CB-CZ 4.44Å; L15-F116 HydrophobicContact CD1-CE2 4.24Å; L15-F116 HydrophobicContact CD1-CZ 4.1Å; L15-F116 HydrophobicContact CD2-CE2 3.85Å; L15-F116 HydrophobicContact CD2-CZ 4.41Å; L15-F116 HydrophobicContact CG-CE2 4.22Å; L15-F116 VanDerWaalsContact O-CD2 3.3Å; L15-F116 WeakPolarHBondContact O-CD2 3.31Å
16W87.9Confident78.1Confident13 Ų1351.6 Ų51.65%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-154.8146.7-179.4175.688.9000110.2A5 A6 V7 Y18 F88 F92 F116 M119 F123A5-W16 HydrophobicContact CB-CH2 4.43Å; A5-W16 HydrophobicContact CB-CZ3 4.09Å; A6-W16 CarbonylContact C-O 3.5Å; A6-W16 VanDerWaalsContact CA-O 3.25Å; A6-W16 WeakPolarHBondContact CA-O 3.44Å; A6-W16 WeakPolarHBondContact CB-O 3.24Å; V7-W16 HydrophobicContact CG2-CE3 4.16Å; V7-W16 PolarHBondContact N-O 2.99Å; V7-W16 PolarHBondContact O-N 3.18Å; W16-Y18 HydrophobicContact CH2-CG 4.31Å; W16-F88 HydrophobicContact CE3-CE2 4.29Å; W16-F88 AromaticContact CE3-CZ 3.6Å; W16-F88 HydrophobicContact CE3-CZ 3.6Å; W16-F88 HydrophobicContact CH2-CE2 4.23Å; W16-F88 HydrophobicContact CH2-CZ 4Å; W16-F88 AromaticContact CZ3-CE1 3.97Å; W16-F88 HydrophobicContact CZ3-CE1 3.97Å; W16-F88 AromaticContact CZ3-CE2 3.9Å; W16-F88 HydrophobicContact CZ3-CE2 3.9Å; W16-F88 AromaticContact CZ3-CZ 3.25Å; W16-F88 HydrophobicContact CZ3-CZ 3.25Å; W16-F92 HydrophobicContact CB-CE2 4.47Å; W16-F116 HydrophobicContact CB-CB 4.07Å; W16-M119 HydrophobicContact CD2-CB 4.2Å; W16-M119 HydrophobicContact CG-CB 4.16Å; W16-M119 HydrophobicContact CZ2-CB 4.29Å; W16-F123 HydrophobicContact CH2-CB 3.64Å; W16-F123 AromaticContact CH2-CD1 3.66Å; W16-F123 HydrophobicContact CH2-CD1 3.66Å; W16-F123 AromaticContact CH2-CD2 3.87Å; W16-F123 HydrophobicContact CH2-CD2 3.87Å; W16-F123 HydrophobicContact CH2-CE1 4.26Å; W16-F123 HydrophobicContact CH2-CE2 4.45Å; W16-F123 AromaticContact CH2-CG 3.43Å; W16-F123 HydrophobicContact CH2-CG 3.43Å; W16-F123 VanDerWaalsContact CH2-CG 3.43Å; W16-F123 HydrophobicContact CZ2-CB 3.7Å; W16-F123 HydrophobicContact CZ2-CD1 4.27Å; W16-F123 HydrophobicContact CZ2-CG 4.02Å; W16-F123 HydrophobicContact CZ3-CD2 4.48Å; W16-F123 HydrophobicContact CZ3-CG 4.43Å
17A88.4Confident77.3Confident38 Ų3851.8 Ų51.831%0.31432%0.323SS..EExtended strand (participates in β ladder)trans-143.8149.1173.300000111.1Y4 A5 A6 V14Y4-A17 HydrophobicContact CE2-CB 4.49Å; A5-A17 CarbonylContact O-C 3.39Å; A5-A17 WeakPolarHBondContact O-CA 3.5Å; A6-A17 HydrophobicContact CB-CB 4.12Å; V14-A17 HydrophobicContact CG1-CB 4.22Å
18Y88.3Confident76.5Confident26 Ų2656 Ų5610%0.10234%0.343CS..EExtended strand (participates in β ladder)trans-126.7129.7173.6173-93.9000108.7Y4 A5 W16 Q20 F123 E124 L127Y4-Y18 WeakPolarHBondContact CA-O 3.36Å; A5-Y18 PolarHBondContact N-O 3.01Å; A5-Y18 PolarHBondContact O-N 3.13Å; W16-Y18 HydrophobicContact CH2-CG 4.31Å; Y18-Q20 HydrophobicContact CE1-CB 4.08Å; Y18-F123 HydrophobicContact CD1-CD1 4.04Å; Y18-F123 AromaticContact CD1-CE1 3.65Å; Y18-F123 HydrophobicContact CD1-CE1 3.65Å; Y18-F123 HydrophobicContact CD2-CD1 4.16Å; Y18-F123 HydrophobicContact CE1-CD1 4.48Å; Y18-F123 HydrophobicContact CE1-CE1 4.09Å; Y18-F123 AromaticContact CG-CD1 3.86Å; Y18-F123 HydrophobicContact CG-CD1 3.86Å; Y18-F123 AromaticContact CG-CE1 3.93Å; Y18-F123 HydrophobicContact CG-CE1 3.93Å; Y18-E124 HydrophobicContact CE2-CG 3.79Å; Y18-L127 HydrophobicContact CE1-CD2 4.24Å
19E85.6Confident75.8Confident72 Ų7259 Ų5934%0.33637%0.37SS..EExtended strand (participates in β ladder)trans-129.9127.1-178-54.1-170.6171.400109.2Y4Y4-E19 HydrophobicContact CD2-CG 3.8Å; Y4-E19 HydrophobicContact CE2-CG 3.76Å
20Q78.7Confident75.4Confident69 Ų6960.9 Ų60.932%0.32238%0.379SS..  trans-107.9109.7176-161.3170.72100110.7M1 I2 D3 Y18M1-Q20 PolarHBondContact SD-OE1 3.11Å; I2-Q20 PolarHBondContact O-OE1 3.14Å; I2-Q20 VanDerWaalsContact O-OE1 3.13Å; D3-Q20 PolarHBondContact O-N 3.47Å; Y18-Q20 HydrophobicContact CE1-CB 4.08Å
21G68.6Low75.6Confident61 Ų6157.3 Ų57.363%0.62936%0.363SS*.Hα-helixtrans70-171.1177.400000114.6Q23 G24G21-Q23 PolarHBondContact O-N 2.76Å; G21-G24 PolarHBondContact O-N 3.49Å
22T64.2Low75.8Confident112 Ų11258.4 Ų58.469%0.68735%0.35SS*.Hα-helixtrans-67.8-17.8-179.943.10000113.6
23Q65Low75.6Confident86 Ų8658.1 Ų58.140%0.40234%0.339SS..Hα-helixtrans-69.5-35.1177.6-66.8-70.3-17.500111.9G21 Q25 N26 I27G21-Q23 PolarHBondContact O-N 2.76Å; Q23-Q25 VanDerWaalsContact C-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q23-N26 PolarHBondContact O-N 3Å; Q23-I27 WeakPolarHBondContact O-CG1 3.25Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q23-I27 VanDerWaalsContact O-N 3.13Å
24G63.4Low75.1Confident0 Ų056.7 Ų56.70%033%0.327CS..Hα-helixtrans-58.4-40.8179.700000113.6G21 N26 I27 Q28G21-G24 PolarHBondContact O-N 3.49Å; G24-N26 PolarHBondContact O-N 3.42Å; G24-I27 PolarHBondContact O-N 3.1Å; G24-Q28 PolarHBondContact O-N 3.46Å
25Q64.3Low74.7Confident126 Ų12654 Ų5459%0.58931%0.31SS*.Hα-helixtrans-64.5-38.9178.9-69.7-176.6-8.600112.7Q23 I27 Q28Q23-Q25 VanDerWaalsContact C-N 3.33Å; Q23-Q25 PolarHBondContact O-N 2.89Å; Q25-I27 VanDerWaalsContact C-N 3.32Å; Q25-Q28 PolarHBondContact O-N 3.17Å
26N69.2Low74Confident107 Ų10761.2 Ų61.257%0.57234%0.336SS*.Hα-helixtrans-68.1-35.9176.1-71.9-26.2000111.5Q23 G24 A29Q23-N26 PolarHBondContact O-N 3Å; G24-N26 PolarHBondContact O-N 3.42Å; N26-A29 PolarHBondContact O-N 2.92Å
27I73.3Confident72.7Confident3 Ų361.3 Ų61.32%0.01534%0.339CS..Hα-helixtrans-66.1-42.6177.7-67.1169.6000110.5D3 Y4 Q23 G24 Q25 A29 N30 V31 V54 Y56 A71D3-I27 HydrophobicContact CB-CD1 3.35Å; Y4-I27 HydrophobicContact CD1-CG2 4.3Å; Y4-I27 HydrophobicContact CG-CG2 4.05Å; Q23-I27 WeakPolarHBondContact O-CG1 3.25Å; Q23-I27 PolarHBondContact O-N 3.33Å; Q23-I27 VanDerWaalsContact O-N 3.13Å; G24-I27 PolarHBondContact O-N 3.1Å; Q25-I27 VanDerWaalsContact C-N 3.32Å; I27-A29 PolarHBondContact O-N 3.36Å; I27-N30 PolarHBondContact O-N 2.97Å; I27-V31 HydrophobicContact CG2-CG2 4.46Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 2.92Å; I27-V54 HydrophobicContact CD1-CG1 4.29Å; I27-V54 HydrophobicContact CG1-CG1 4.19Å; I27-V54 HydrophobicContact CG1-CG2 4.03Å; I27-V54 HydrophobicContact CG2-CG1 4.26Å; I27-Y56 HydrophobicContact CG2-CE1 3.73Å; I27-Y56 PolarHBondContact O-OH 3.09Å; I27-A71 HydrophobicContact CG2-CB 3.86Å
28Q73.6Confident71.4Confident89 Ų8960 Ų6042%0.41633%0.327SS..Hα-helixtrans-54.3-40.1178.9-168.7-171.72200112.2Y4 G24 Q25 N30 V31Y4-Q28 HydrophobicContact CE2-CB 4.1Å; Y4-Q28 HydrophobicContact CE2-CG 4.26Å; G24-Q28 PolarHBondContact O-N 3.46Å; Q25-Q28 PolarHBondContact O-N 3.17Å; Q28-N30 PolarHBondContact O-N 3.06Å; Q28-V31 PolarHBondContact O-N 3.49Å
29A71.6Confident70.2Confident75 Ų7560.9 Ų60.962%0.6234%0.335SS*.Hα-helixtrans-59.2-31.4178.500000113N26 I27N26-A29 PolarHBondContact O-N 2.92Å; I27-A29 PolarHBondContact O-N 3.36Å
30N75.2Confident68.9Low67 Ų6762.9 Ų62.936%0.35835%0.347SS..Hα-helixtrans-94.8-10.8-178.2-66.5-20.4000113.4I27 Q28 N32 S33 A34 Y56I27-N30 PolarHBondContact O-N 2.97Å; Q28-N30 PolarHBondContact O-N 3.06Å; N30-N32 PolarHBondContact O-N 2.83Å; N30-N32 VanDerWaalsContact O-N 3.15Å; N30-S33 WeakPolarHBondContact O-CB 3.5Å; N30-S33 PolarHBondContact O-N 2.9Å; N30-A34 PolarHBondContact O-N 3.01Å; N30-Y56 VanDerWaalsContact CB-OH 3.25Å; N30-Y56 WeakPolarHBondContact CB-OH 3.44Å
31V78.7Confident67.6Low2 Ų263.6 Ų63.61%0.01235%0.35CS..Hα-helixtrans-57.1-36.2-177.7174.10000112.4Y4 Y8 I27 Q28 S33 A34 L35 Y56 L69Y4-V31 HydrophobicContact CD1-CG2 4.11Å; Y4-V31 HydrophobicContact CE1-CG2 3.72Å; Y8-V31 HydrophobicContact CE2-CG1 4.07Å; Y8-V31 WeakPolarHBondContact OH-CG1 2.98Å; I27-V31 HydrophobicContact CG2-CG2 4.46Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 2.92Å; Q28-V31 PolarHBondContact O-N 3.49Å; V31-S33 VanDerWaalsContact C-N 3.27Å; V31-S33 PolarHBondContact O-N 3.46Å; V31-A34 PolarHBondContact O-N 3.35Å; V31-L35 HydrophobicContact CG1-CD1 3.71Å; V31-L35 HydrophobicContact CG1-CG 3.83Å; V31-L35 WeakPolarHBondContact O-CB 3.37Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 3.28Å; V31-Y56 HydrophobicContact CG2-CE1 4.03Å; V31-L69 HydrophobicContact CG1-CD1 3.73Å; V31-L69 HydrophobicContact CG2-CD2 4.49Å
32N76.5Confident66.7Low104 Ų10462.5 Ų62.556%0.55634%0.339SS*.Hα-helixtrans-61.4-35.5177.6-74.4-28.6000112.7N30 R36N30-N32 PolarHBondContact O-N 2.83Å; N30-N32 VanDerWaalsContact O-N 3.15Å; N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.14Å; N32-R36 VanDerWaalsContact O-CD 3.29Å; N32-R36 WeakPolarHBondContact O-CD 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.49Å; N32-R36 PolarHBondContact O-N 3.46Å
33S70.1Confident66.1Low51 Ų5163.7 Ų63.736%0.35733%0.331SS..Hα-helixtrans-68.5-47175.5-172.10000110.1N30 V31 R36 S37 E51N30-S33 WeakPolarHBondContact O-CB 3.5Å; N30-S33 PolarHBondContact O-N 2.9Å; V31-S33 VanDerWaalsContact C-N 3.27Å; V31-S33 PolarHBondContact O-N 3.46Å; S33-R36 WeakPolarHBondContact O-CB 3.42Å; S33-R36 PolarHBondContact O-N 3.25Å; S33-S37 PolarHBondContact O-N 3.19Å; S33-E51 VanDerWaalsContact CB-OE1 3.3Å; S33-E51 WeakPolarHBondContact CB-OE1 2.9Å; S33-E51 VanDerWaalsContact CB-OE2 3.24Å; S33-E51 WeakPolarHBondContact CB-OE2 3.43Å; S33-E51 VanDerWaalsContact OG-CD 3.32Å; S33-E51 PolarHBondContact OG-OE1 3.49Å; S33-E51 PolarHBondContact OG-OE2 2.86Å
34A68.8Low65.2Low0 Ų060.8 Ų60.80%032%0.324CS..Hα-helixtrans-57.8-52.4175.500000112.4N30 V31 R36 S37 T38 Y56N30-A34 PolarHBondContact O-N 3.01Å; V31-A34 PolarHBondContact O-N 3.35Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.43Å; A34-S37 PolarHBondContact O-N 2.81Å; A34-S37 PolarHBondContact O-OG 3.36Å; A34-T38 PolarHBondContact O-N 3.01Å; A34-T38 PolarHBondContact O-OG1 2.89Å; A34-Y56 HydrophobicContact CB-CD1 3.74Å; A34-Y56 HydrophobicContact CB-CD2 3.78Å; A34-Y56 HydrophobicContact CB-CE1 4.06Å; A34-Y56 HydrophobicContact CB-CE2 4.1Å; A34-Y56 HydrophobicContact CB-CG 3.6Å
35L74.9Confident64.6Low21 Ų2165.6 Ų65.611%0.1135%0.349CS..Hα-helixtrans-60.9-37.3177.6-71.6177.6000112.5Y8 V31 S37 V39 I40 I67 L69Y8-L35 HydrophobicContact CD1-CD1 4.42Å; Y8-L35 HydrophobicContact CD2-CD1 4.1Å; Y8-L35 HydrophobicContact CE1-CD1 4.46Å; Y8-L35 HydrophobicContact CE2-CD1 4.14Å; Y8-L35 HydrophobicContact CG-CD1 4.26Å; V31-L35 HydrophobicContact CG1-CD1 3.71Å; V31-L35 HydrophobicContact CG1-CG 3.83Å; V31-L35 WeakPolarHBondContact O-CB 3.37Å; V31-L35 WeakPolarHBondContact O-CG 3.31Å; V31-L35 PolarHBondContact O-N 3.28Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.48Å; L35-V39 HydrophobicContact CD2-CG2 4.04Å; L35-V39 WeakPolarHBondContact O-CA 3.45Å; L35-V39 VanDerWaalsContact O-CB 3.29Å; L35-V39 WeakPolarHBondContact O-CB 3.29Å; L35-V39 PolarHBondContact O-N 3.48Å; L35-I40 PolarHBondContact O-N 3.31Å; L35-I67 HydrophobicContact CD2-CG2 3.76Å; L35-L69 HydrophobicContact CD2-CD1 3.91Å; L35-L69 HydrophobicContact CG-CD1 4.22Å
36R68.3Low64.2Low164 Ų16462.3 Ų62.362%0.61934%0.338SS*.Iπ-helixtrans-63.9-38.4174.4-78.2167.9-175.3-166.22.5111.8N32 S33 A34 I40 Q41N32-R36 VanDerWaalsContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CB 3.14Å; N32-R36 VanDerWaalsContact O-CD 3.29Å; N32-R36 WeakPolarHBondContact O-CD 3.4Å; N32-R36 WeakPolarHBondContact O-CG 3.49Å; N32-R36 PolarHBondContact O-N 3.46Å; S33-R36 WeakPolarHBondContact O-CB 3.42Å; S33-R36 PolarHBondContact O-N 3.25Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.43Å; R36-I40 HydrophobicContact CB-CD1 4.46Å; R36-I40 HydrophobicContact CG-CD1 3.84Å; R36-I40 WeakPolarHBondContact O-CB 3.43Å; R36-I40 PolarHBondContact O-N 3.25Å; R36-Q41 WeakPolarHBondContact O-CG 3.28Å; R36-Q41 PolarHBondContact O-N 2.94Å
37S61.4Low64.2Low15 Ų1560.8 Ų60.811%0.10533%0.332CS..Iπ-helixtrans-74.7-35-179.978.70000113.3S33 A34 L35 Q41 H49S33-S37 PolarHBondContact O-N 3.19Å; A34-S37 PolarHBondContact O-N 2.81Å; A34-S37 PolarHBondContact O-OG 3.36Å; L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 3.48Å; S37-Q41 WeakPolarHBondContact O-CB 3.5Å; S37-H49 PolarHBondContact OG-CD2 2.79Å; S37-H49 PolarHBondContact OG-CE1 3.12Å; S37-H49 VanDerWaalsContact OG-CE1 3.22Å; S37-H49 PolarHBondContact OG-ND1 3.49Å
38T60.6Low64.3Low10 Ų1064 Ų646%0.06135%0.347CS..Iπ-helixtrans-92.4-47.5-175.2530000112.3A34 H49 V58A34-T38 PolarHBondContact O-N 3.01Å; A34-T38 PolarHBondContact O-OG1 2.89Å; T38-H49 HydrophobicContact CG2-CB 3.65Å; T38-V58 HydrophobicContact CG2-CG2 4.2Å
39V63.3Low64.3Low44 Ų4461.8 Ų61.827%0.26734%0.337SS..Iπ-helixtrans-89.4-43.9-173.7-172.10000111.6L35 V58 L60 I67L35-V39 HydrophobicContact CD2-CG2 4.04Å; L35-V39 WeakPolarHBondContact O-CA 3.45Å; L35-V39 VanDerWaalsContact O-CB 3.29Å; L35-V39 WeakPolarHBondContact O-CB 3.29Å; L35-V39 PolarHBondContact O-N 3.48Å; V39-V58 HydrophobicContact CG2-CG1 4.27Å; V39-L60 HydrophobicContact CG1-CD2 4.39Å; V39-L60 HydrophobicContact CG2-CD2 4.18Å; V39-I67 HydrophobicContact CG1-CD1 4.07Å; V39-I67 HydrophobicContact CG2-CD1 4.14Å; V39-I67 HydrophobicContact CG2-CG2 4.18Å
40I56.7Low64.7Low114 Ų11463.7 Ų63.759%0.58533%0.333SS*.Iπ-helixtrans-86.2-25.1-172.4-64.5168.9000112.9L35 R36 G42L35-I40 PolarHBondContact O-N 3.31Å; R36-I40 HydrophobicContact CB-CD1 4.46Å; R36-I40 HydrophobicContact CG-CD1 3.84Å; R36-I40 WeakPolarHBondContact O-CB 3.43Å; R36-I40 PolarHBondContact O-N 3.25Å; I40-G42 PolarHBondContact O-N 3.41Å
41Q52.3Low64.6Low85 Ų8562.9 Ų62.940%0.39733%0.327SS..THydrogen-bonded Turntrans-77.94.9176.7-66.4-1781400114R36 S37 R43R36-Q41 WeakPolarHBondContact O-CG 3.28Å; R36-Q41 PolarHBondContact O-N 2.94Å; S37-Q41 WeakPolarHBondContact O-CB 3.5Å; Q41-R43 PolarHBondContact O-N 3.23Å
42G49.7Very low64.5Low37 Ų3767.3 Ų67.338%0.38136%0.364SS..THydrogen-bonded Turntrans56.730.7171.900000113.1I40 G44 S368I40-G42 PolarHBondContact O-N 3.41Å; G42-G44 PolarHBondContact O-N 3.22Å; G42-S368 WeakPolarHBondContact O-CB 3.43Å; G42-S368 PolarHBondContact O-OG 3.21Å
43R50.8Low64.7Low138 Ų13868.3 Ų68.352%0.52137%0.369SS..  trans-97.278172.7-63.9-176.4179-179.60.3107.3Q41 N45 V46Q41-R43 PolarHBondContact O-N 3.23Å; R43-N45 PolarHBondContact O-N 3.06Å; R43-V46 HydrophobicContact CB-CB 4.26Å; R43-V46 HydrophobicContact CB-CG2 3.7Å; R43-V46 PolarHBondContact O-N 3.01Å
44G47.7Very low65.4Low25 Ų2566.7 Ų66.726%0.25836%0.357SS..THydrogen-bonded Turntrans-54.3-17.7-17400000115G42 S368G42-G44 PolarHBondContact O-N 3.22Å; G44-S368 PolarHBondContact N-OG 3.32Å
45N50.2Low66.3Low101 Ų10166.9 Ų66.954%0.5436%0.358SS..THydrogen-bonded Turntrans-91.8-5.5179.8-60.5-7.6000114.2R43 T47 Q367R43-N45 PolarHBondContact O-N 3.06Å; N45-T47 PolarHBondContact O-N 2.85Å; N45-Q367 PolarHBondContact ND2-OE1 3.44Å
46V55.1Low66.8Low56 Ų5665.9 Ų65.934%0.33935%0.353SS..  trans-93.990.6-176-176.40000109.7R43 Q48R43-V46 HydrophobicContact CB-CB 4.26Å; R43-V46 HydrophobicContact CB-CG2 3.7Å; R43-V46 PolarHBondContact O-N 3.01Å; V46-Q48 VanDerWaalsContact C-N 3.27Å; V46-Q48 WeakPolarHBondContact CG1-O 3.42Å
47T69.8Low67.8Low75 Ų7558.6 Ų58.646%0.4633%0.326SS..  trans-81.5-7.7172.854.50000112.7N45 H57 V58N45-T47 PolarHBondContact O-N 2.85Å; T47-H57 CarbonylContact O-C 3.17Å; T47-H57 VanDerWaalsContact O-CA 3.25Å; T47-H57 WeakPolarHBondContact O-CA 3.44Å; T47-V58 PolarHBondContact O-N 3.03Å
48Q76.2Confident69Low71 Ų7158.3 Ų58.333%0.33232%0.323SS..EExtended strand (participates in β ladder)trans-132.7131.5-173.9-66.7-179.9-9.100112.1V46 Y56 H57V46-Q48 VanDerWaalsContact C-N 3.27Å; V46-Q48 WeakPolarHBondContact CG1-O 3.42Å; Q48-Y56 CarbonylContact C-O 3.5Å; Q48-Y56 VanDerWaalsContact CA-O 3.27Å; Q48-Y56 WeakPolarHBondContact CA-O 3.29Å; Q48-H57 WeakPolarHBondContact CG-ND1 3.18Å; Q48-H57 PolarHBondContact NE2-CE1 3.1Å; Q48-H57 PolarHBondContact NE2-ND1 3.42Å
49H73.7Confident70.2Confident42 Ų4258.6 Ų58.619%0.19433%0.326CS..EExtended strand (participates in β ladder)trans-127134.5172.9-175.869.6000110.5S37 T38 E51 Y56S37-H49 PolarHBondContact OG-CD2 2.79Å; S37-H49 PolarHBondContact OG-CE1 3.12Å; S37-H49 VanDerWaalsContact OG-CE1 3.22Å; S37-H49 PolarHBondContact OG-ND1 3.49Å; T38-H49 HydrophobicContact CG2-CB 3.65Å; H49-E51 IonicContact NE2-OE2 3.36Å; H49-Y56 PolarHBondContact N-O 2.54Å; H49-Y56 PolarHBondContact O-N 3.31Å
50H78.1Confident71.2Confident115 Ų11558.8 Ų58.853%0.53233%0.326SS..EExtended strand (participates in β ladder)trans-109.8122.6175.6-61.9-82.2000108.8T55H50-T55 WeakPolarHBondContact CE1-CG2 3.42Å; H50-T55 PolarHBondContact CE1-OG1 2.97Å; H50-T55 WeakPolarHBondContact ND1-CG2 3.46Å; H50-T55 PolarHBondContact ND1-OG1 3.1Å
51E73.8Confident72.6Confident51 Ų5153.5 Ų53.524%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-134.7118.6175.9-165.1169.6-162.600109S33 H49 D53 V54 Y56S33-E51 VanDerWaalsContact CB-OE1 3.3Å; S33-E51 WeakPolarHBondContact CB-OE1 2.9Å; S33-E51 VanDerWaalsContact CB-OE2 3.24Å; S33-E51 WeakPolarHBondContact CB-OE2 3.43Å; S33-E51 VanDerWaalsContact OG-CD 3.32Å; S33-E51 PolarHBondContact OG-OE1 3.49Å; S33-E51 PolarHBondContact OG-OE2 2.86Å; H49-E51 IonicContact NE2-OE2 3.36Å; E51-D53 PolarHBondContact O-N 2.89Å; E51-V54 PolarHBondContact N-O 2.63Å; E51-V54 PolarHBondContact O-N 3.38Å; E51-Y56 HydrophobicContact CB-CE2 4.08Å
52A75.8Confident74Confident95 Ų9550.1 Ų50.179%0.78528%0.283SS*.THydrogen-bonded Turntrans52.8-116.7-172.200000112.2
53D82.7Confident75.5Confident124 Ų12449.9 Ų49.966%0.66327%0.272SS*.THydrogen-bonded Turntrans-100.513.1-178.4-63.8-35.5000112.9E51 Q73 A74E51-D53 PolarHBondContact O-N 2.89Å; D53-Q73 WeakPolarHBondContact O-CA 3.24Å; D53-A74 WeakPolarHBondContact O-CB 3.4Å; D53-A74 PolarHBondContact O-N 2.9Å
54V84.6Confident76.9Confident17 Ų1743.8 Ų43.810%0.10325%0.25CC..EExtended strand (participates in β ladder)trans-120.3139.4-175.1-174.10000110.5I27 E51 Y56 A71I27-V54 HydrophobicContact CD1-CG1 4.29Å; I27-V54 HydrophobicContact CG1-CG1 4.19Å; I27-V54 HydrophobicContact CG1-CG2 4.03Å; I27-V54 HydrophobicContact CG2-CG1 4.26Å; E51-V54 PolarHBondContact N-O 2.63Å; E51-V54 PolarHBondContact O-N 3.38Å; V54-Y56 HydrophobicContact CB-CE2 3.89Å; V54-Y56 HydrophobicContact CG1-CD2 4.2Å; V54-Y56 HydrophobicContact CG1-CE1 4.2Å; V54-Y56 HydrophobicContact CG1-CE2 3.66Å; V54-A71 HydrophobicContact CG1-CB 4.07Å
55T86.5Confident78.4Confident4 Ų445.2 Ų45.23%0.02525%0.252CS..EExtended strand (participates in β ladder)trans-112.1125172.4-54.70000109.4H50 H57 A71 H72H50-T55 WeakPolarHBondContact CE1-CG2 3.42Å; H50-T55 PolarHBondContact CE1-OG1 2.97Å; H50-T55 WeakPolarHBondContact ND1-CG2 3.46Å; H50-T55 PolarHBondContact ND1-OG1 3.1Å; T55-H57 WeakPolarHBondContact CG2-NE2 3.33Å; T55-A71 VanDerWaalsContact O-CA 3.27Å; T55-A71 WeakPolarHBondContact O-CA 3.24Å; T55-H72 PolarHBondContact N-O 3.01Å; T55-H72 PolarHBondContact O-N 3.14Å
56Y86.8Confident80.2Confident0 Ų040.5 Ų40.50%023%0.226CC..EExtended strand (participates in β ladder)trans-105129.1178.4-60.2-93.4000109.4I27 N30 V31 A34 Q48 H49 E51 V54 L69 A71I27-Y56 HydrophobicContact CG2-CE1 3.73Å; I27-Y56 PolarHBondContact O-OH 3.09Å; N30-Y56 VanDerWaalsContact CB-OH 3.25Å; N30-Y56 WeakPolarHBondContact CB-OH 3.44Å; V31-Y56 HydrophobicContact CG2-CE1 4.03Å; A34-Y56 HydrophobicContact CB-CD1 3.74Å; A34-Y56 HydrophobicContact CB-CD2 3.78Å; A34-Y56 HydrophobicContact CB-CE1 4.06Å; A34-Y56 HydrophobicContact CB-CE2 4.1Å; A34-Y56 HydrophobicContact CB-CG 3.6Å; Q48-Y56 CarbonylContact C-O 3.5Å; Q48-Y56 VanDerWaalsContact CA-O 3.27Å; Q48-Y56 WeakPolarHBondContact CA-O 3.29Å; H49-Y56 PolarHBondContact N-O 2.54Å; H49-Y56 PolarHBondContact O-N 3.31Å; E51-Y56 HydrophobicContact CB-CE2 4.08Å; V54-Y56 HydrophobicContact CB-CE2 3.89Å; V54-Y56 HydrophobicContact CG1-CD2 4.2Å; V54-Y56 HydrophobicContact CG1-CE1 4.2Å; V54-Y56 HydrophobicContact CG1-CE2 3.66Å; Y56-L69 HydrophobicContact CD1-CD1 4.17Å; Y56-L69 HydrophobicContact CD1-CD2 4.18Å; Y56-L69 HydrophobicContact CD1-CG 4.48Å; Y56-A71 HydrophobicContact CD1-CB 3.71Å; Y56-A71 HydrophobicContact CE1-CB 3.96Å; Y56-A71 HydrophobicContact CG-CB 4.37Å
57H88Confident81.7Confident12 Ų1238.3 Ų38.36%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-111.4130.2171.7-59.7-112.8000108.3T47 Q48 T55 L69 V70 H72 V81 L85T47-H57 CarbonylContact O-C 3.17Å; T47-H57 VanDerWaalsContact O-CA 3.25Å; T47-H57 WeakPolarHBondContact O-CA 3.44Å; Q48-H57 WeakPolarHBondContact CG-ND1 3.18Å; Q48-H57 PolarHBondContact NE2-CE1 3.1Å; Q48-H57 PolarHBondContact NE2-ND1 3.42Å; T55-H57 WeakPolarHBondContact CG2-NE2 3.33Å; H57-L69 CarbonylContact O-C 3.41Å; H57-L69 WeakPolarHBondContact O-CA 3.16Å; H57-V70 PolarHBondContact N-O 3.39Å; H57-V70 PolarHBondContact O-N 3.04Å; H57-H72 AromaticContact CD2-CD2 3.81Å; H57-H72 AromaticContact CD2-NE2 3.7Å; H57-H72 AromaticContact NE2-CD2 3.51Å; H57-H72 AromaticContact NE2-NE2 2.94Å; H57-H72 PolarHBondContact NE2-NE2 2.92Å; H57-V81 HydrophobicContact CB-CG1 4.08Å; H57-V81 VanDerWaalsContact CD2-CG1 3.44Å; H57-V81 WeakPolarHBondContact CD2-CG1 3.26Å; H57-L85 HydrophobicContact CB-CD2 4.03Å
58V87.1Confident82.7Confident9 Ų934.7 Ų34.76%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-127.1132.7-174.1-1770000110T38 V39 T47 I67 F68 L69T38-V58 HydrophobicContact CG2-CG2 4.2Å; V39-V58 HydrophobicContact CG2-CG1 4.27Å; T47-V58 PolarHBondContact O-N 3.03Å; V58-I67 HydrophobicContact CG1-CG2 3.66Å; V58-F68 CarbonylContact C-O 3.54Å; V58-F68 VanDerWaalsContact CA-O 3.31Å; V58-F68 WeakPolarHBondContact CA-O 3.2Å; V58-L69 HydrophobicContact CG2-CD1 4.1Å; V58-L69 HydrophobicContact CG2-CG 4.33Å
59A86.3Confident83.4Confident15 Ų1531.3 Ų31.312%0.12418%0.175CC..EExtended strand (participates in β ladder)trans-125.9137.3171.300000109.7F68 L85A59-F68 HydrophobicContact CB-CB 4.36Å; A59-F68 PolarHBondContact N-O 3.39Å; A59-F68 PolarHBondContact O-N 3.4Å; A59-L85 HydrophobicContact CB-CD1 4.2Å; A59-L85 HydrophobicContact CB-CD2 3.68Å; A59-L85 HydrophobicContact CB-CG 3.81Å
60L84.2Confident84.2Confident48 Ų4829.3 Ų29.325%0.25117%0.165SC..EExtended strand (participates in β ladder)trans-97.3147.1178.3-60.1178000110.3V39 I67 R89V39-L60 HydrophobicContact CG1-CD2 4.39Å; V39-L60 HydrophobicContact CG2-CD2 4.18Å; L60-I67 HydrophobicContact CD2-CB 4.36Å; L60-I67 HydrophobicContact CD2-CG1 3.8Å; L60-I67 HydrophobicContact CD2-CG2 4.14Å; L60-R89 PolarHBondContact O-NH1 3.5Å
61D85.7Confident84.8Confident3 Ų323.9 Ų23.92%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-125.4105.7164.9-170.6-29.2000108.6E63 F64 D65 L66 F68 R93D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 2.91Å; D61-F64 PolarHBondContact OD1-N 3.24Å; D61-D65 CarbonylContact O-C 3.59Å; D61-D65 VanDerWaalsContact O-CA 3.3Å; D61-D65 WeakPolarHBondContact O-CA 3.3Å; D61-D65 PolarHBondContact O-N 3.49Å; D61-D65 VanDerWaalsContact O-N 3.08Å; D61-L66 HydrophobicContact CB-CB 4.19Å; D61-L66 PolarHBondContact N-O 2.99Å; D61-L66 PolarHBondContact O-N 3.45Å; D61-F68 HydrophobicContact CB-CD2 4.41Å; D61-F68 HydrophobicContact CB-CE2 3.84Å; D61-R93 VanDerWaalsContact CG-NH1 3.3Å; D61-R93 IonicContact OD1-NH1 3.81Å; D61-R93 PolarHBondContact OD1-NH1 2.76Å; D61-R93 WeakPolarHBondContact OD2-CD 3.49Å; D61-R93 VanDerWaalsContact OD2-CG 3.32Å; D61-R93 WeakPolarHBondContact OD2-CG 3.14Å; D61-R93 IonicContact OD2-CZ 2.69Å; D61-R93 IonicContact OD2-NE 2.63Å; D61-R93 IonicContact OD2-NH1 3.56Å; D61-R93 PolarHBondContact OD2-NH1 2.77Å
62N81Confident85.5Confident14 Ų1421.7 Ų21.78%0.07513%0.13CC..THydrogen-bonded Turntrans-86-12.5-177.6-53-56000113.7K10 V371 K372 D374K10-N62 WeakPolarHBondContact CE-OD1 3.45Å; K10-N62 PolarHBondContact NZ-OD1 2.98Å; N62-V371 PolarHBondContact ND2-O 3.44Å; N62-K372 PolarHBondContact ND2-O 3.03Å; N62-K372 PolarHBondContact OD1-O 2.89Å; N62-D374 WeakPolarHBondContact CB-O 3.44Å; N62-D374 PolarHBondContact ND2-O 3.37Å
63E81.2Confident86Confident33 Ų3320.5 Ų20.515%0.15411%0.108CC..THydrogen-bonded Turntrans-67.8-43.8174.9-175.5172169.300109.6D61 R93 R101 G375 V377D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 2.91Å; E63-R93 IonicContact OE2-CZ 2.99Å; E63-R93 IonicContact OE2-NH1 2.77Å; E63-R93 IonicContact OE2-NH2 2.75Å; E63-R93 PolarHBondContact OE2-NH2 3.33Å; E63-R101 IonicContact OE1-CZ 3.5Å; E63-R101 IonicContact OE1-NH1 3.99Å; E63-R101 PolarHBondContact OE1-NH1 3.28Å; E63-R101 IonicContact OE1-NH2 2.79Å; E63-R101 PolarHBondContact OE1-NH2 2.89Å; E63-G375 WeakPolarHBondContact CA-O 3.34Å; E63-G375 WeakPolarHBondContact CB-O 3.32Å; E63-V377 HydrophobicContact CG-CG2 3.91Å
64F81.1Confident85.9Confident9 Ų916 Ų164%0.0399%0.088CC..THydrogen-bonded Turntrans-108.23.6-176.3-58.2-62.8000114.5D61 L66 R93 D97 L100 R101D61-F64 PolarHBondContact OD1-N 3.24Å; F64-L66 HydrophobicContact CB-CD1 3.96Å; F64-L66 HydrophobicContact CB-CG 3.88Å; F64-R93 HydrophobicContact CD2-CG 4.26Å; F64-R93 HydrophobicContact CE2-CG 4.19Å; F64-D97 WeakPolarHBondContact CZ-OD1 3.48Å; F64-L100 HydrophobicContact CB-CB 4.41Å; F64-L100 HydrophobicContact CB-CD1 4.31Å; F64-L100 HydrophobicContact CD1-CB 3.46Å; F64-L100 VanDerWaalsContact CD1-CB 3.46Å; F64-L100 HydrophobicContact CD1-CD1 4.33Å; F64-L100 HydrophobicContact CD1-CG 4.45Å; F64-L100 HydrophobicContact CD2-CD1 3.98Å; F64-L100 HydrophobicContact CE1-CB 3.73Å; F64-L100 HydrophobicContact CE2-CD1 4.35Å; F64-L100 HydrophobicContact CG-CB 3.91Å; F64-L100 HydrophobicContact CG-CD1 3.95Å; F64-L100 HydrophobicContact CG-CG 4.44Å; F64-L100 HydrophobicContact CZ-CB 4.39Å; F64-R101 HydrophobicContact CE1-CG 3.87Å; F64-R101 HydrophobicContact CZ-CG 4.46Å
65D79.7Confident85.7Confident56 Ų5621.7 Ų21.730%0.29912%0.122SC..THydrogen-bonded Turntrans54.249.1-174-62.9-52.7000113.9K10 D61 R106K10-D65 HydrophobicContact CB-CB 4.21Å; K10-D65 HydrophobicContact CD-CB 3.86Å; K10-D65 HydrophobicContact CG-CB 4.14Å; K10-D65 WeakPolarHBondContact CG-O 3.02Å; K10-D65 PolarHBondContact N-O 3.45Å; K10-D65 IonicContact NZ-OD1 2.77Å; K10-D65 PolarHBondContact NZ-OD1 3.25Å; D61-D65 CarbonylContact O-C 3.59Å; D61-D65 VanDerWaalsContact O-CA 3.3Å; D61-D65 WeakPolarHBondContact O-CA 3.3Å; D61-D65 PolarHBondContact O-N 3.49Å; D61-D65 VanDerWaalsContact O-N 3.08Å; D65-R106 IonicContact OD2-CZ 2.68Å; D65-R106 IonicContact OD2-NH1 3.85Å; D65-R106 IonicContact OD2-NH2 3.94Å; D65-R106 PolarHBondContact OD2-NH2 3.45Å
66L86.6Confident85.3Confident2 Ų223.8 Ų23.81%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-111.4155.3179.4-53.8178.7000112V7 Y8 L15 D61 F64 F68 F92 L100V7-L66 HydrophobicContact CG1-CB 4.3Å; V7-L66 HydrophobicContact CG1-CD1 4.31Å; Y8-L66 CarbonylContact O-C 3.54Å; Y8-L66 WeakPolarHBondContact O-CA 3.44Å; L15-L66 HydrophobicContact CD1-CD2 3.43Å; L15-L66 VanDerWaalsContact CD1-CD2 3.43Å; D61-L66 HydrophobicContact CB-CB 4.19Å; D61-L66 PolarHBondContact N-O 2.99Å; D61-L66 PolarHBondContact O-N 3.45Å; F64-L66 HydrophobicContact CB-CD1 3.96Å; F64-L66 HydrophobicContact CB-CG 3.88Å; L66-F68 HydrophobicContact CB-CD2 4.48Å; L66-F68 HydrophobicContact CB-CE2 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.37Å; L66-F68 HydrophobicContact CD1-CE2 4.29Å; L66-F68 HydrophobicContact CD1-CZ 4.11Å; L66-F92 HydrophobicContact CD1-CD1 4.1Å; L66-F92 HydrophobicContact CD1-CE1 3.74Å; L66-L100 HydrophobicContact CD1-CD1 4.02Å; L66-L100 HydrophobicContact CD1-CD2 3.97Å
67I87.6Confident84.9Confident9 Ų930.8 Ų30.85%0.04617%0.17CC..EExtended strand (participates in β ladder)trans-126.8119.4174.8-55.3162.5000107.1V7 Y8 K10 L35 V39 V58 L60V7-I67 CarbonylContact C-O 3.26Å; V7-I67 WeakPolarHBondContact CA-O 3.34Å; Y8-I67 PolarHBondContact N-O 3.42Å; Y8-I67 PolarHBondContact O-N 3.11Å; K10-I67 HydrophobicContact CG-CD1 4.21Å; K10-I67 HydrophobicContact CG-CG1 4.03Å; L35-I67 HydrophobicContact CD2-CG2 3.76Å; V39-I67 HydrophobicContact CG1-CD1 4.07Å; V39-I67 HydrophobicContact CG2-CD1 4.14Å; V39-I67 HydrophobicContact CG2-CG2 4.18Å; V58-I67 HydrophobicContact CG1-CG2 3.66Å; L60-I67 HydrophobicContact CD2-CB 4.36Å; L60-I67 HydrophobicContact CD2-CG1 3.8Å; L60-I67 HydrophobicContact CD2-CG2 4.14Å
68F90.7Very high84.6Confident0 Ų031 Ų310%017%0.172CC..EExtended strand (participates in β ladder)trans-99.1130.3175.4-65.3-95.5000108.9V7 V58 A59 D61 L66 L85 F88 R89 F92V7-F68 HydrophobicContact CB-CE1 4.46Å; V7-F68 HydrophobicContact CG1-CD1 4.31Å; V7-F68 HydrophobicContact CG1-CE1 3.97Å; V7-F68 HydrophobicContact CG1-CZ 4.13Å; V7-F68 HydrophobicContact CG2-CD1 3.68Å; V7-F68 HydrophobicContact CG2-CE1 3.63Å; V58-F68 CarbonylContact C-O 3.54Å; V58-F68 VanDerWaalsContact CA-O 3.31Å; V58-F68 WeakPolarHBondContact CA-O 3.2Å; A59-F68 HydrophobicContact CB-CB 4.36Å; A59-F68 PolarHBondContact N-O 3.39Å; A59-F68 PolarHBondContact O-N 3.4Å; D61-F68 HydrophobicContact CB-CD2 4.41Å; D61-F68 HydrophobicContact CB-CE2 3.84Å; L66-F68 HydrophobicContact CB-CD2 4.48Å; L66-F68 HydrophobicContact CB-CE2 3.82Å; L66-F68 HydrophobicContact CB-CZ 4.37Å; L66-F68 HydrophobicContact CD1-CE2 4.29Å; L66-F68 HydrophobicContact CD1-CZ 4.11Å; F68-L85 HydrophobicContact CB-CD1 3.76Å; F68-F88 AromaticContact CD1-CD1 3.93Å; F68-F88 HydrophobicContact CD1-CD1 3.93Å; F68-F88 AromaticContact CD1-CE1 3.75Å; F68-F88 HydrophobicContact CD1-CE1 3.75Å; F68-F88 HydrophobicContact CD1-CZ 4.24Å; F68-F88 HydrophobicContact CE1-CE1 4.46Å; F68-R89 HydrophobicContact CD1-CB 4.32Å; F68-R89 HydrophobicContact CD2-CB 4.28Å; F68-R89 HydrophobicContact CD2-CG 3.9Å; F68-R89 HydrophobicContact CE1-CB 4.4Å; F68-R89 HydrophobicContact CE2-CB 4.36Å; F68-R89 HydrophobicContact CE2-CG 3.72Å; F68-R89 HydrophobicContact CG-CB 4.27Å; F68-R89 HydrophobicContact CG-CG 4.39Å; F68-R89 HydrophobicContact CZ-CB 4.42Å; F68-R89 HydrophobicContact CZ-CG 4.06Å; F68-F92 HydrophobicContact CE1-CB 3.65Å; F68-F92 HydrophobicContact CE1-CD1 4.01Å; F68-F92 HydrophobicContact CE1-CD2 4.35Å; F68-F92 AromaticContact CE1-CG 3.75Å; F68-F92 HydrophobicContact CE1-CG 3.75Å; F68-F92 HydrophobicContact CZ-CB 4.03Å; F68-F92 AromaticContact CZ-CD1 3.84Å; F68-F92 HydrophobicContact CZ-CD1 3.84Å; F68-F92 HydrophobicContact CZ-CG 4.04Å
69L90.8Very high84.5Confident0 Ų035 Ų350%020%0.201CC..EExtended strand (participates in β ladder)trans-130.6135.1-179.2-178.1149.6000110.2Y4 A5 A6 Y8 V31 L35 Y56 H57 V58 A71Y4-L69 HydrophobicContact CD1-CD2 3.66Å; Y4-L69 HydrophobicContact CE1-CD2 3.92Å; A5-L69 CarbonylContact C-O 3.53Å; A5-L69 WeakPolarHBondContact CA-O 3.33Å; A6-L69 PolarHBondContact N-O 3.41Å; A6-L69 PolarHBondContact O-N 2.9Å; Y8-L69 HydrophobicContact CE2-CB 4.2Å; V31-L69 HydrophobicContact CG1-CD1 3.73Å; V31-L69 HydrophobicContact CG2-CD2 4.49Å; L35-L69 HydrophobicContact CD2-CD1 3.91Å; L35-L69 HydrophobicContact CG-CD1 4.22Å; Y56-L69 HydrophobicContact CD1-CD1 4.17Å; Y56-L69 HydrophobicContact CD1-CD2 4.18Å; Y56-L69 HydrophobicContact CD1-CG 4.48Å; H57-L69 CarbonylContact O-C 3.41Å; H57-L69 WeakPolarHBondContact O-CA 3.16Å; V58-L69 HydrophobicContact CG2-CD1 4.1Å; V58-L69 HydrophobicContact CG2-CG 4.33Å; L69-A71 HydrophobicContact CD2-CB 4.28Å
70V91.1Very high84.6Confident0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-131.5130.1172.3172.30000108.3I2 A5 H57 V81 L84 L85I2-V70 HydrophobicContact CD1-CG1 3.64Å; I2-V70 HydrophobicContact CG1-CG1 4.27Å; I2-V70 HydrophobicContact CG2-CG1 3.77Å; A5-V70 HydrophobicContact CB-CG2 4.07Å; H57-V70 PolarHBondContact N-O 3.39Å; H57-V70 PolarHBondContact O-N 3.04Å; V70-V81 HydrophobicContact CG1-CG1 3.93Å; V70-L84 HydrophobicContact CG1-CD2 4.31Å; V70-L85 HydrophobicContact CB-CD1 4.4Å; V70-L85 HydrophobicContact CG2-CB 4.47Å; V70-L85 HydrophobicContact CG2-CD1 3.77Å
71A89.8Confident84.8Confident0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-127.9144.7-179.200000112.4D3 Y4 I27 V54 T55 Y56 L69D3-A71 PolarHBondContact N-O 2.82Å; Y4-A71 PolarHBondContact N-O 2.84Å; Y4-A71 PolarHBondContact O-N 2.91Å; I27-A71 HydrophobicContact CG2-CB 3.86Å; V54-A71 HydrophobicContact CG1-CB 4.07Å; T55-A71 VanDerWaalsContact O-CA 3.27Å; T55-A71 WeakPolarHBondContact O-CA 3.24Å; Y56-A71 HydrophobicContact CD1-CB 3.71Å; Y56-A71 HydrophobicContact CE1-CB 3.96Å; Y56-A71 HydrophobicContact CG-CB 4.37Å; L69-A71 HydrophobicContact CD2-CB 4.28Å
72H88.1Confident84.8Confident6 Ų638.4 Ų38.43%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-144.5156.817766.182.9000110.9M1 I2 D3 T55 H57 A74 P78M1-H72 VanDerWaalsContact O-CB 3.26Å; M1-H72 WeakPolarHBondContact O-CB 3.49Å; I2-H72 HydrophobicContact CD1-CB 4.27Å; D3-H72 WeakPolarHBondContact OD2-CA 3.23Å; T55-H72 PolarHBondContact N-O 3.01Å; T55-H72 PolarHBondContact O-N 3.14Å; H57-H72 AromaticContact CD2-CD2 3.81Å; H57-H72 AromaticContact CD2-NE2 3.7Å; H57-H72 AromaticContact NE2-CD2 3.51Å; H57-H72 AromaticContact NE2-NE2 2.94Å; H57-H72 PolarHBondContact NE2-NE2 2.92Å; H72-A74 PolarHBondContact O-N 2.94Å; H72-P78 HydrophobicContact CB-CG 4.43Å; H72-P78 VanDerWaalsContact CE1-CD 3.46Å; H72-P78 WeakPolarHBondContact CE1-CD 3.36Å; H72-P78 WeakPolarHBondContact ND1-CD 3.18Å
73Q85.7Confident85.2Confident69 Ų6944 Ų4432%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-59.3135.6169.3-72.4-179.5-2.300111.3D3 D53 V75 S76D3-Q73 WeakPolarHBondContact OD2-CG 3.11Å; D3-Q73 PolarHBondContact OD2-N 3.37Å; D53-Q73 WeakPolarHBondContact O-CA 3.24Å; Q73-V75 PolarHBondContact O-N 2.76Å; Q73-V75 VanDerWaalsContact O-N 3.16Å; Q73-S76 PolarHBondContact O-N 3.04Å; Q73-S76 PolarHBondContact O-OG 2.96Å
74A80.6Confident85.7Confident29 Ų2942.4 Ų42.424%0.2423%0.231CC..G310 helixtrans-58.7-28.8-177.600000112.7D53 H72 S76 Q77D53-A74 WeakPolarHBondContact O-CB 3.4Å; D53-A74 PolarHBondContact O-N 2.9Å; H72-A74 PolarHBondContact O-N 2.94Å; A74-S76 VanDerWaalsContact C-N 3.28Å; A74-S76 PolarHBondContact O-N 2.81Å; A74-Q77 WeakPolarHBondContact O-CG 3.32Å
75V80.3Confident86.1Confident137 Ų13742.5 Ų42.583%0.8323%0.232SC*.G310 helixtrans-67-27.4178.1-176.20000112.5Q73Q73-V75 PolarHBondContact O-N 2.76Å; Q73-V75 VanDerWaalsContact O-N 3.16Å
76S78.6Confident86.6Confident48 Ų4843.9 Ų43.934%0.33624%0.236SC..G310 helixtrans-87-18.1-171.372.30000115.4M1 Q73 A74M1-S76 PolarHBondContact N-OG 2.89Å; M1-S76 VanDerWaalsContact N-OG 3.11Å; Q73-S76 PolarHBondContact O-N 3.04Å; Q73-S76 PolarHBondContact O-OG 2.96Å; A74-S76 VanDerWaalsContact C-N 3.28Å; A74-S76 PolarHBondContact O-N 2.81Å
77Q79.2Confident86.8Confident148 Ų14845 Ų4569%0.69225%0.246SC*.  trans1569.4-175.4-58.8-165.3-19.600115.3A74 S79A74-Q77 WeakPolarHBondContact O-CG 3.32Å; Q77-S79 PolarHBondContact O-N 3.47Å
78P80.9Confident87.1Confident16 Ų1644.6 Ų44.610%0.10424%0.244CC..  trans-69.1131.1-177.42.410.3000110.2I2 H72 Y80 V81I2-P78 HydrophobicContact CD1-CG 4.42Å; H72-P78 HydrophobicContact CB-CG 4.43Å; H72-P78 VanDerWaalsContact CE1-CD 3.46Å; H72-P78 WeakPolarHBondContact CE1-CD 3.36Å; H72-P78 WeakPolarHBondContact ND1-CD 3.18Å; P78-Y80 HydrophobicContact CB-CD1 3.85Å; P78-Y80 HydrophobicContact CB-CD2 4.49Å; P78-Y80 HydrophobicContact CB-CE1 3.39Å; P78-Y80 HydrophobicContact CB-CE2 4.1Å; P78-Y80 HydrophobicContact CB-CG 4.38Å; P78-Y80 PolarHBondContact O-N 3Å; P78-V81 HydrophobicContact CB-CG2 3.7Å; P78-V81 HydrophobicContact CG-CG2 3.46Å; P78-V81 VanDerWaalsContact CG-CG2 3.46Å; P78-V81 VanDerWaalsContact O-CG2 3.28Å; P78-V81 WeakPolarHBondContact O-CG2 3.45Å
79S84.7Confident87.1Confident94 Ų9447.6 Ų47.666%0.65726%0.255SS*.THydrogen-bonded Turntrans-61.7-291799.40000113Q77 D134Q77-S79 PolarHBondContact O-N 3.47Å; S79-D134 PolarHBondContact OG-OD1 3.2Å
80Y88.8Confident87.1Confident18 Ų1853.5 Ų53.57%0.07128%0.283CS..THydrogen-bonded Turntrans-88-0.1-169.659.5-97.8000114.9I2 P78 Q82 E83 L84 L127 F130 I131 D134I2-Y80 HydrophobicContact CD1-CE2 4.35Å; I2-Y80 HydrophobicContact CG1-CE2 4.21Å; P78-Y80 HydrophobicContact CB-CD1 3.85Å; P78-Y80 HydrophobicContact CB-CD2 4.49Å; P78-Y80 HydrophobicContact CB-CE1 3.39Å; P78-Y80 HydrophobicContact CB-CE2 4.1Å; P78-Y80 HydrophobicContact CB-CG 4.38Å; P78-Y80 PolarHBondContact O-N 3Å; Y80-Q82 PolarHBondContact O-N 2.89Å; Y80-E83 PolarHBondContact O-N 2.89Å; Y80-L84 HydrophobicContact CD2-CB 4.28Å; Y80-L84 HydrophobicContact CD2-CD2 4.48Å; Y80-L84 HydrophobicContact CE2-CD2 4.37Å; Y80-L84 VanDerWaalsContact O-CB 3.26Å; Y80-L84 WeakPolarHBondContact O-CB 3.17Å; Y80-L84 PolarHBondContact O-N 2.9Å; Y80-L127 HydrophobicContact CE2-CD1 4.33Å; Y80-F130 HydrophobicContact CD2-CB 3.83Å; Y80-F130 HydrophobicContact CE2-CB 4.46Å; Y80-F130 HydrophobicContact CG-CB 4.1Å; Y80-I131 HydrophobicContact CE2-CG1 4.49Å; Y80-D134 HydrophobicContact CD1-CB 3.77Å; Y80-D134 HydrophobicContact CE1-CB 4.21Å
81V88.6Confident87.1Confident2 Ų255.6 Ų55.61%0.01229%0.294CS..Hα-helixtrans-62.5-41.2-168.3-178.90000113I2 H57 V70 P78 L84 L85I2-V81 HydrophobicContact CD1-CG1 4.45Å; I2-V81 HydrophobicContact CD1-CG2 3.92Å; H57-V81 HydrophobicContact CB-CG1 4.08Å; H57-V81 VanDerWaalsContact CD2-CG1 3.44Å; H57-V81 WeakPolarHBondContact CD2-CG1 3.26Å; V70-V81 HydrophobicContact CG1-CG1 3.93Å; P78-V81 HydrophobicContact CB-CG2 3.7Å; P78-V81 HydrophobicContact CG-CG2 3.46Å; P78-V81 VanDerWaalsContact CG-CG2 3.46Å; P78-V81 VanDerWaalsContact O-CG2 3.28Å; P78-V81 WeakPolarHBondContact O-CG2 3.45Å; V81-L84 WeakPolarHBondContact O-CB 3.27Å; V81-L84 PolarHBondContact O-N 3.05Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 PolarHBondContact O-N 3.41Å
82Q85.8Confident87.1Confident117 Ų11755.6 Ų55.655%0.54729%0.294SS..Hα-helixtrans-68.8-43.5-179.7-69.9-173.8-7.800111.7Y80 L84 L85 E86Y80-Q82 PolarHBondContact O-N 2.89Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 3.41Å; Q82-L85 PolarHBondContact O-N 3.18Å; Q82-E86 PolarHBondContact O-N 3.39Å
83E88.9Confident87.1Confident130 Ų13058.7 Ų58.761%0.60731%0.305SS*.Hα-helixtrans-64.9-37.8176.3-62.1-179-171.400111.7Y80 A87 F130Y80-E83 PolarHBondContact O-N 2.89Å; E83-A87 VanDerWaalsContact O-CB 3.3Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.09Å; E83-F130 HydrophobicContact CB-CD1 4.39Å; E83-F130 HydrophobicContact CB-CE1 3.53Å; E83-F130 HydrophobicContact CB-CZ 4.04Å
84L91.4Very high87.2Confident0 Ų060.3 Ų60.30%032%0.32CS..Hα-helixtrans-60.9-47.6173.3179.883.6000111.2I2 V70 Y80 V81 Q82 E86 A87 F88 F123 L126 L127 F130I2-L84 HydrophobicContact CD1-CD2 4.04Å; I2-L84 HydrophobicContact CG1-CD2 3.69Å; V70-L84 HydrophobicContact CG1-CD2 4.31Å; Y80-L84 HydrophobicContact CD2-CB 4.28Å; Y80-L84 HydrophobicContact CD2-CD2 4.48Å; Y80-L84 HydrophobicContact CE2-CD2 4.37Å; Y80-L84 VanDerWaalsContact O-CB 3.26Å; Y80-L84 WeakPolarHBondContact O-CB 3.17Å; Y80-L84 PolarHBondContact O-N 2.9Å; V81-L84 WeakPolarHBondContact O-CB 3.27Å; V81-L84 PolarHBondContact O-N 3.05Å; Q82-L84 VanDerWaalsContact C-N 3.32Å; Q82-L84 PolarHBondContact O-N 3.41Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.47Å; L84-A87 PolarHBondContact O-N 3.25Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 2.73Å; L84-F123 HydrophobicContact CD2-CZ 4.48Å; L84-L126 HydrophobicContact CD1-CD2 3.31Å; L84-L126 HydrophobicContact CG-CD2 4.14Å; L84-L127 HydrophobicContact CD1-CB 4.47Å; L84-L127 HydrophobicContact CD1-CD1 4.2Å; L84-L127 HydrophobicContact CD2-CD1 4.03Å; L84-F130 HydrophobicContact CB-CD2 4.36Å; L84-F130 HydrophobicContact CB-CG 4.44Å; L84-F130 HydrophobicContact CD1-CB 4.14Å; L84-F130 HydrophobicContact CD1-CD2 3.63Å; L84-F130 HydrophobicContact CD1-CE2 4.37Å; L84-F130 HydrophobicContact CD1-CG 4.08Å
85L90.5Very high87.5Confident12 Ų1264.8 Ų64.86%0.06333%0.331CS..Hα-helixtrans-62-42.2-179.6179.462.6000111.5H57 A59 F68 V70 V81 Q82 F88 R89H57-L85 HydrophobicContact CB-CD2 4.03Å; A59-L85 HydrophobicContact CB-CD1 4.2Å; A59-L85 HydrophobicContact CB-CD2 3.68Å; A59-L85 HydrophobicContact CB-CG 3.81Å; F68-L85 HydrophobicContact CB-CD1 3.76Å; V70-L85 HydrophobicContact CB-CD1 4.4Å; V70-L85 HydrophobicContact CG2-CB 4.47Å; V70-L85 HydrophobicContact CG2-CD1 3.77Å; V81-L85 WeakPolarHBondContact O-CB 3.46Å; V81-L85 PolarHBondContact O-N 3.41Å; Q82-L85 PolarHBondContact O-N 3.18Å; L85-F88 PolarHBondContact O-N 3.34Å; L85-R89 WeakPolarHBondContact O-CB 3.44Å; L85-R89 PolarHBondContact O-N 2.84Å
86E89.4Confident87.8Confident85 Ų8558.9 Ų58.940%0.39729%0.294SS..Hα-helixtrans-68-45.9177.8-172.454.8-139.300112Q82 L84 F88 R89 Q90Q82-E86 PolarHBondContact O-N 3.39Å; L84-E86 VanDerWaalsContact C-N 3.34Å; L84-E86 PolarHBondContact O-N 3.47Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.3Å; E86-R89 WeakPolarHBondContact O-CB 3.48Å; E86-R89 PolarHBondContact O-N 3.06Å; E86-R89 IonicContact OE1-CZ 3.75Å; E86-R89 IonicContact OE1-NE 2.87Å; E86-R89 PolarHBondContact OE1-NE 3.26Å; E86-R89 IonicContact OE1-NH2 3.66Å; E86-R89 PolarHBondContact OE1-NH2 3.42Å; E86-R89 IonicContact OE2-CZ 3.61Å; E86-R89 VanDerWaalsContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NE 3.84Å; E86-R89 PolarHBondContact OE2-NE 3.23Å; E86-R89 IonicContact OE2-NH2 3.38Å; E86-R89 PolarHBondContact OE2-NH2 3.15Å; E86-Q90 PolarHBondContact O-N 3.37Å
87A91.5Very high88Confident26 Ų2659.1 Ų59.122%0.21529%0.291CS..Hα-helixtrans-61.9-39.3175.900000111.6E83 L84 Q90 D91 L126 F130E83-A87 VanDerWaalsContact O-CB 3.3Å; E83-A87 WeakPolarHBondContact O-CB 3.35Å; E83-A87 PolarHBondContact O-N 3.09Å; L84-A87 PolarHBondContact O-N 3.25Å; A87-Q90 PolarHBondContact O-N 3.19Å; A87-D91 WeakPolarHBondContact O-CB 3.31Å; A87-D91 PolarHBondContact O-N 2.5Å; A87-L126 HydrophobicContact CB-CD1 4.05Å; A87-L126 HydrophobicContact CB-CD2 4.09Å; A87-L126 HydrophobicContact CB-CG 4.4Å; A87-F130 HydrophobicContact CB-CE2 3.84Å; A87-F130 HydrophobicContact CB-CZ 4.03Å
88F93Very high88.1Confident0 Ų060.3 Ų60.30%030%0.297CS..Hα-helixtrans-63-45.9175.8172.9-138.8000111.8V7 W16 F68 L84 L85 E86 Q90 D91 F92 M119 F123V7-F88 HydrophobicContact CG2-CE1 3.88Å; V7-F88 HydrophobicContact CG2-CE2 4.36Å; V7-F88 HydrophobicContact CG2-CZ 3.43Å; V7-F88 VanDerWaalsContact CG2-CZ 3.43Å; W16-F88 HydrophobicContact CE3-CE2 4.29Å; W16-F88 AromaticContact CE3-CZ 3.6Å; W16-F88 HydrophobicContact CE3-CZ 3.6Å; W16-F88 HydrophobicContact CH2-CE2 4.23Å; W16-F88 HydrophobicContact CH2-CZ 4Å; W16-F88 AromaticContact CZ3-CE1 3.97Å; W16-F88 HydrophobicContact CZ3-CE1 3.97Å; W16-F88 AromaticContact CZ3-CE2 3.9Å; W16-F88 HydrophobicContact CZ3-CE2 3.9Å; W16-F88 AromaticContact CZ3-CZ 3.25Å; W16-F88 HydrophobicContact CZ3-CZ 3.25Å; F68-F88 AromaticContact CD1-CD1 3.93Å; F68-F88 HydrophobicContact CD1-CD1 3.93Å; F68-F88 AromaticContact CD1-CE1 3.75Å; F68-F88 HydrophobicContact CD1-CE1 3.75Å; F68-F88 HydrophobicContact CD1-CZ 4.24Å; F68-F88 HydrophobicContact CE1-CE1 4.46Å; L84-F88 WeakPolarHBondContact O-CB 3.48Å; L84-F88 PolarHBondContact O-N 2.73Å; L85-F88 PolarHBondContact O-N 3.34Å; E86-F88 VanDerWaalsContact C-N 3.29Å; E86-F88 PolarHBondContact O-N 3.3Å; F88-Q90 PolarHBondContact O-N 2.9Å; F88-D91 PolarHBondContact O-N 3.41Å; F88-F92 HydrophobicContact CE2-CD2 4.4Å; F88-F92 WeakPolarHBondContact O-CB 3.38Å; F88-F92 PolarHBondContact O-N 3.07Å; F88-M119 HydrophobicContact CD2-CE 3.97Å; F88-M119 HydrophobicContact CE2-CE 3.68Å; F88-F123 HydrophobicContact CB-CD2 4.34Å; F88-F123 HydrophobicContact CB-CE2 4.21Å; F88-F123 HydrophobicContact CD1-CD2 4.26Å; F88-F123 AromaticContact CD1-CE2 3.95Å; F88-F123 HydrophobicContact CD1-CE2 3.95Å; F88-F123 AromaticContact CD2-CD2 3.52Å; F88-F123 HydrophobicContact CD2-CD2 3.52Å; F88-F123 HydrophobicContact CD2-CE2 4.04Å; F88-F123 HydrophobicContact CE1-CD2 4.47Å; F88-F123 HydrophobicContact CE1-CE2 4.3Å; F88-F123 AromaticContact CE2-CD2 3.77Å; F88-F123 HydrophobicContact CE2-CD2 3.77Å; F88-F123 HydrophobicContact CE2-CE2 4.39Å; F88-F123 AromaticContact CG-CD2 3.78Å; F88-F123 HydrophobicContact CG-CD2 3.78Å; F88-F123 AromaticContact CG-CE2 3.8Å; F88-F123 HydrophobicContact CG-CE2 3.8Å; F88-F123 HydrophobicContact CZ-CD2 4.24Å
89R90.7Very high88Confident63 Ų6361.3 Ų61.324%0.23830%0.303CS..Hα-helixtrans-57.4-48.1174.7-178.9174.875.4162.44.8111.3L60 F68 L85 E86 F92 R93L60-R89 PolarHBondContact O-NH1 3.5Å; F68-R89 HydrophobicContact CD1-CB 4.32Å; F68-R89 HydrophobicContact CD2-CB 4.28Å; F68-R89 HydrophobicContact CD2-CG 3.9Å; F68-R89 HydrophobicContact CE1-CB 4.4Å; F68-R89 HydrophobicContact CE2-CB 4.36Å; F68-R89 HydrophobicContact CE2-CG 3.72Å; F68-R89 HydrophobicContact CG-CB 4.27Å; F68-R89 HydrophobicContact CG-CG 4.39Å; F68-R89 HydrophobicContact CZ-CB 4.42Å; F68-R89 HydrophobicContact CZ-CG 4.06Å; L85-R89 WeakPolarHBondContact O-CB 3.44Å; L85-R89 PolarHBondContact O-N 2.84Å; E86-R89 WeakPolarHBondContact O-CB 3.48Å; E86-R89 PolarHBondContact O-N 3.06Å; E86-R89 IonicContact OE1-CZ 3.75Å; E86-R89 IonicContact OE1-NE 2.87Å; E86-R89 PolarHBondContact OE1-NE 3.26Å; E86-R89 IonicContact OE1-NH2 3.66Å; E86-R89 PolarHBondContact OE1-NH2 3.42Å; E86-R89 IonicContact OE2-CZ 3.61Å; E86-R89 VanDerWaalsContact OE2-CZ 3.22Å; E86-R89 IonicContact OE2-NE 3.84Å; E86-R89 PolarHBondContact OE2-NE 3.23Å; E86-R89 IonicContact OE2-NH2 3.38Å; E86-R89 PolarHBondContact OE2-NH2 3.15Å; R89-F92 PolarHBondContact O-N 3.4Å; R89-R93 VanDerWaalsContact O-CG 3.29Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 3.25Å
90Q91Very high87.8Confident124 Ų12457.1 Ų57.158%0.57927%0.273SS*.Hα-helixtrans-65-43.3-179.1-170176.921.200112.7E86 A87 F88 R93 T94E86-Q90 PolarHBondContact O-N 3.37Å; A87-Q90 PolarHBondContact O-N 3.19Å; F88-Q90 PolarHBondContact O-N 2.9Å; Q90-R93 PolarHBondContact O-N 3.06Å; Q90-T94 WeakPolarHBondContact O-CB 2.89Å; Q90-T94 PolarHBondContact O-N 2.95Å; Q90-T94 PolarHBondContact O-OG1 3.15Å
91D91.5Very high87.2Confident43 Ų4362.3 Ų62.323%0.2329%0.292CS..Hα-helixtrans-64.5-43.2177.1-172.156.1000111.3A87 F88 R93 T94 R95 L126A87-D91 WeakPolarHBondContact O-CB 3.31Å; A87-D91 PolarHBondContact O-N 2.5Å; F88-D91 PolarHBondContact O-N 3.41Å; D91-R93 PolarHBondContact O-N 3.11Å; D91-T94 PolarHBondContact O-N 2.93Å; D91-R95 VanDerWaalsContact O-CB 3.26Å; D91-R95 WeakPolarHBondContact O-CB 3.24Å; D91-R95 PolarHBondContact O-N 3.35Å; D91-R95 IonicContact OD1-NH2 3.21Å; D91-R95 PolarHBondContact OD1-NH2 3.11Å; D91-R95 IonicContact OD2-NE 3.74Å; D91-R95 IonicContact OD2-NH2 3.93Å; D91-L126 HydrophobicContact CB-CD1 4.21Å
92F90.5Very high86.4Confident0 Ų065.4 Ų65.40%031%0.309CS..Hα-helixtrans-60.1-48176.8-167.8-82.9000111.6V7 L15 W16 L66 F68 F88 R89 T94 R95 F96 L100 F116 M119V7-F92 HydrophobicContact CB-CE2 4.23Å; V7-F92 HydrophobicContact CB-CZ 4.35Å; V7-F92 HydrophobicContact CG1-CE1 4.18Å; V7-F92 HydrophobicContact CG1-CE2 4.32Å; V7-F92 HydrophobicContact CG1-CZ 4.01Å; V7-F92 HydrophobicContact CG2-CD2 3.87Å; V7-F92 HydrophobicContact CG2-CE2 3.83Å; V7-F92 HydrophobicContact CG2-CG 4.46Å; V7-F92 HydrophobicContact CG2-CZ 4.36Å; L15-F92 HydrophobicContact CD1-CZ 4.48Å; W16-F92 HydrophobicContact CB-CE2 4.47Å; L66-F92 HydrophobicContact CD1-CD1 4.1Å; L66-F92 HydrophobicContact CD1-CE1 3.74Å; F68-F92 HydrophobicContact CE1-CB 3.65Å; F68-F92 HydrophobicContact CE1-CD1 4.01Å; F68-F92 HydrophobicContact CE1-CD2 4.35Å; F68-F92 AromaticContact CE1-CG 3.75Å; F68-F92 HydrophobicContact CE1-CG 3.75Å; F68-F92 HydrophobicContact CZ-CB 4.03Å; F68-F92 AromaticContact CZ-CD1 3.84Å; F68-F92 HydrophobicContact CZ-CD1 3.84Å; F68-F92 HydrophobicContact CZ-CG 4.04Å; F88-F92 HydrophobicContact CE2-CD2 4.4Å; F88-F92 WeakPolarHBondContact O-CB 3.38Å; F88-F92 PolarHBondContact O-N 3.07Å; R89-F92 PolarHBondContact O-N 3.4Å; F92-T94 PolarHBondContact O-N 2.99Å; F92-R95 PolarHBondContact O-N 2.82Å; F92-F96 HydrophobicContact CD1-CD2 4.12Å; F92-F96 HydrophobicContact CD2-CD2 4.09Å; F92-F96 HydrophobicContact CD2-CE2 4Å; F92-F96 HydrophobicContact CE1-CD2 4.05Å; F92-F96 HydrophobicContact CE2-CD2 4.01Å; F92-F96 AromaticContact CE2-CE2 3.92Å; F92-F96 HydrophobicContact CE2-CE2 3.92Å; F92-F96 HydrophobicContact CG-CD2 4.13Å; F92-F96 HydrophobicContact CG-CE2 4.44Å; F92-F96 AromaticContact CZ-CD2 3.99Å; F92-F96 HydrophobicContact CZ-CD2 3.99Å; F92-F96 HydrophobicContact CZ-CE2 4.31Å; F92-F96 VanDerWaalsContact O-CD2 3.3Å; F92-F96 WeakPolarHBondContact O-CD2 3.39Å; F92-F96 PolarHBondContact O-N 2.83Å; F92-F96 VanDerWaalsContact O-N 3.12Å; F92-L100 HydrophobicContact CD1-CD1 4.32Å; F92-L100 HydrophobicContact CE1-CD1 4.17Å; F92-L100 HydrophobicContact CE1-CD2 4.42Å; F92-F116 HydrophobicContact CE1-CD1 4.45Å; F92-F116 HydrophobicContact CE1-CE1 4.18Å; F92-F116 AromaticContact CE2-CD1 3.89Å; F92-F116 HydrophobicContact CE2-CD1 3.89Å; F92-F116 HydrophobicContact CE2-CE1 4.42Å; F92-F116 HydrophobicContact CE2-CG 4.46Å; F92-F116 AromaticContact CZ-CD1 3.5Å; F92-F116 HydrophobicContact CZ-CD1 3.5Å; F92-F116 AromaticContact CZ-CE1 3.59Å; F92-F116 HydrophobicContact CZ-CE1 3.59Å; F92-F116 HydrophobicContact CZ-CG 4.25Å; F92-F116 HydrophobicContact CZ-CZ 4.39Å; F92-M119 HydrophobicContact CB-CE 3.9Å; F92-M119 HydrophobicContact CD2-CE 3.83Å; F92-M119 HydrophobicContact CD2-CG 3.83Å; F92-M119 HydrophobicContact CD2-SD 4.22Å; F92-M119 HydrophobicContact CE2-CG 4.04Å; F92-M119 HydrophobicContact CG-CE 4.33Å
93R87.1Confident85.2Confident72 Ų7266.7 Ų66.727%0.27232%0.315SS..Hα-helixtrans-58.9-48.3177-72.1170.866.8123.2-3.2111.8D61 E63 F64 R89 Q90 D91 R95 D97D61-R93 VanDerWaalsContact CG-NH1 3.3Å; D61-R93 IonicContact OD1-NH1 3.81Å; D61-R93 PolarHBondContact OD1-NH1 2.76Å; D61-R93 WeakPolarHBondContact OD2-CD 3.49Å; D61-R93 VanDerWaalsContact OD2-CG 3.32Å; D61-R93 WeakPolarHBondContact OD2-CG 3.14Å; D61-R93 IonicContact OD2-CZ 2.69Å; D61-R93 IonicContact OD2-NE 2.63Å; D61-R93 IonicContact OD2-NH1 3.56Å; D61-R93 PolarHBondContact OD2-NH1 2.77Å; E63-R93 IonicContact OE2-CZ 2.99Å; E63-R93 IonicContact OE2-NH1 2.77Å; E63-R93 IonicContact OE2-NH2 2.75Å; E63-R93 PolarHBondContact OE2-NH2 3.33Å; F64-R93 HydrophobicContact CD2-CG 4.26Å; F64-R93 HydrophobicContact CE2-CG 4.19Å; R89-R93 VanDerWaalsContact O-CG 3.29Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 3.25Å; Q90-R93 PolarHBondContact O-N 3.06Å; D91-R93 PolarHBondContact O-N 3.11Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.14Å; R93-D97 WeakPolarHBondContact O-CA 3.45Å; R93-D97 WeakPolarHBondContact O-CB 3.35Å; R93-D97 PolarHBondContact O-N 3.11Å
94T88.1Confident83.7Confident103 Ų10368.4 Ų68.463%0.63232%0.323SS*.Hα-helixtrans-65.7-38.1-175.8-52.30000111.4Q90 D91 F92Q90-T94 WeakPolarHBondContact O-CB 2.89Å; Q90-T94 PolarHBondContact O-N 2.95Å; Q90-T94 PolarHBondContact O-OG1 3.15Å; D91-T94 PolarHBondContact O-N 2.93Å; F92-T94 PolarHBondContact O-N 2.99Å
95R87.9Confident82Confident123 Ų12370.5 Ų70.546%0.46434%0.335SS..Hα-helixtrans-73.7-35.5-177.5-169.8176.2-60.4-81.4-8.7113.1D91 F92 R93 M119D91-R95 VanDerWaalsContact O-CB 3.26Å; D91-R95 WeakPolarHBondContact O-CB 3.24Å; D91-R95 PolarHBondContact O-N 3.35Å; D91-R95 IonicContact OD1-NH2 3.21Å; D91-R95 PolarHBondContact OD1-NH2 3.11Å; D91-R95 IonicContact OD2-NE 3.74Å; D91-R95 IonicContact OD2-NH2 3.93Å; F92-R95 PolarHBondContact O-N 2.82Å; R93-R95 VanDerWaalsContact C-N 3.31Å; R93-R95 PolarHBondContact O-N 3.14Å; R95-M119 VanDerWaalsContact CD-SD 3.57Å
96F86Confident80.4Confident12 Ų1274.1 Ų74.15%0.05335%0.348CS..Hα-helixtrans-115.420.5-176-53.9-71.9000113.9F92 E98 T99 L100 F116 M119F92-F96 HydrophobicContact CD1-CD2 4.12Å; F92-F96 HydrophobicContact CD2-CD2 4.09Å; F92-F96 HydrophobicContact CD2-CE2 4Å; F92-F96 HydrophobicContact CE1-CD2 4.05Å; F92-F96 HydrophobicContact CE2-CD2 4.01Å; F92-F96 AromaticContact CE2-CE2 3.92Å; F92-F96 HydrophobicContact CE2-CE2 3.92Å; F92-F96 HydrophobicContact CG-CD2 4.13Å; F92-F96 HydrophobicContact CG-CE2 4.44Å; F92-F96 AromaticContact CZ-CD2 3.99Å; F92-F96 HydrophobicContact CZ-CD2 3.99Å; F92-F96 HydrophobicContact CZ-CE2 4.31Å; F92-F96 VanDerWaalsContact O-CD2 3.3Å; F92-F96 WeakPolarHBondContact O-CD2 3.39Å; F92-F96 PolarHBondContact O-N 2.83Å; F92-F96 VanDerWaalsContact O-N 3.12Å; F96-E98 VanDerWaalsContact C-N 3.28Å; F96-E98 PolarHBondContact O-N 3.12Å; F96-T99 PolarHBondContact O-N 2.89Å; F96-L100 HydrophobicContact CB-CD1 4.23Å; F96-L100 HydrophobicContact CB-CG 4.12Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 VanDerWaalsContact O-CG 3.25Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.13Å; F96-F116 HydrophobicContact CB-CE1 4.28Å; F96-F116 HydrophobicContact CD1-CD1 4Å; F96-F116 HydrophobicContact CD1-CE1 4.15Å; F96-F116 AromaticContact CD2-CD1 3.82Å; F96-F116 HydrophobicContact CD2-CD1 3.82Å; F96-F116 HydrophobicContact CD2-CE1 4.09Å; F96-F116 AromaticContact CE1-CD1 3.96Å; F96-F116 HydrophobicContact CE1-CD1 3.96Å; F96-F116 AromaticContact CE2-CD1 3.78Å; F96-F116 HydrophobicContact CE2-CD1 3.78Å; F96-F116 HydrophobicContact CE2-CE1 4.49Å; F96-F116 AromaticContact CG-CD1 3.94Å; F96-F116 HydrophobicContact CG-CD1 3.94Å; F96-F116 AromaticContact CG-CE1 3.91Å; F96-F116 HydrophobicContact CG-CE1 3.91Å; F96-F116 HydrophobicContact CZ-CB 4.49Å; F96-F116 AromaticContact CZ-CD1 3.86Å; F96-F116 HydrophobicContact CZ-CD1 3.86Å; F96-M119 HydrophobicContact CD2-CG 4.47Å; F96-M119 HydrophobicContact CD2-SD 4.5Å; F96-M119 HydrophobicContact CE2-CG 3.25Å; F96-M119 HydrophobicContact CE2-SD 3.48Å; F96-M119 WeakPolarHBondContact CE2-SD 3.46Å; F96-M119 HydrophobicContact CZ-CG 3.61Å; F96-M119 HydrophobicContact CZ-SD 4.04Å
97D82.8Confident78.7Confident54 Ų5476.8 Ų76.829%0.28936%0.364SS..Hα-helixtrans-53.2-46.1-177.5-173.972.5000111.5F64 R93 T99 L100 R101F64-D97 WeakPolarHBondContact CZ-OD1 3.48Å; R93-D97 WeakPolarHBondContact O-CA 3.45Å; R93-D97 WeakPolarHBondContact O-CB 3.35Å; R93-D97 PolarHBondContact O-N 3.11Å; D97-T99 PolarHBondContact O-N 3.09Å; D97-L100 PolarHBondContact O-N 3.17Å; D97-R101 VanDerWaalsContact CG-NE 3.29Å; D97-R101 WeakPolarHBondContact O-CB 3.34Å; D97-R101 VanDerWaalsContact O-CG 3.29Å; D97-R101 WeakPolarHBondContact O-CG 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD1-CZ 3.57Å; D97-R101 IonicContact OD1-NE 3.46Å; D97-R101 PolarHBondContact OD1-NE 2.96Å; D97-R101 IonicContact OD1-NH2 2.89Å; D97-R101 PolarHBondContact OD1-NH2 2.72Å; D97-R101 IonicContact OD2-CZ 3.39Å; D97-R101 IonicContact OD2-NE 3.01Å; D97-R101 PolarHBondContact OD2-NE 3.22Å; D97-R101 IonicContact OD2-NH2 2.94Å
98E80.7Confident76.9Confident173 Ų17383.4 Ų83.481%0.80839%0.385SS*.Hα-helixtrans-61.2-44.2177.3-63.8-173168.600112.2F96 D102F96-E98 VanDerWaalsContact C-N 3.28Å; F96-E98 PolarHBondContact O-N 3.12Å; E98-D102 PolarHBondContact O-N 3.46Å
99T79.8Confident75.3Confident36 Ų3683.9 Ų83.922%0.22139%0.388CS..Hα-helixtrans-68.8-36.4-179.4-43.90000112.1F96 D97 T105 L109 T115F96-T99 PolarHBondContact O-N 2.89Å; D97-T99 PolarHBondContact O-N 3.09Å; T99-T105 HydrophobicContact CG2-CG2 3.83Å; T99-L109 HydrophobicContact CG2-CD2 3.73Å; T99-T115 HydrophobicContact CG2-CG2 4.03Å
100L79.7Confident73.6Confident6 Ų685.9 Ų85.93%0.03140%0.402CS..Hα-helixtrans-77.1-30.5-178.5-67173.2000112.4F64 L66 F92 F96 D97 L109F64-L100 HydrophobicContact CB-CB 4.41Å; F64-L100 HydrophobicContact CB-CD1 4.31Å; F64-L100 HydrophobicContact CD1-CB 3.46Å; F64-L100 VanDerWaalsContact CD1-CB 3.46Å; F64-L100 HydrophobicContact CD1-CD1 4.33Å; F64-L100 HydrophobicContact CD1-CG 4.45Å; F64-L100 HydrophobicContact CD2-CD1 3.98Å; F64-L100 HydrophobicContact CE1-CB 3.73Å; F64-L100 HydrophobicContact CE2-CD1 4.35Å; F64-L100 HydrophobicContact CG-CB 3.91Å; F64-L100 HydrophobicContact CG-CD1 3.95Å; F64-L100 HydrophobicContact CG-CG 4.44Å; F64-L100 HydrophobicContact CZ-CB 4.39Å; L66-L100 HydrophobicContact CD1-CD1 4.02Å; L66-L100 HydrophobicContact CD1-CD2 3.97Å; F92-L100 HydrophobicContact CD1-CD1 4.32Å; F92-L100 HydrophobicContact CE1-CD1 4.17Å; F92-L100 HydrophobicContact CE1-CD2 4.42Å; F96-L100 HydrophobicContact CB-CD1 4.23Å; F96-L100 HydrophobicContact CB-CG 4.12Å; F96-L100 WeakPolarHBondContact O-CB 3.43Å; F96-L100 VanDerWaalsContact O-CG 3.25Å; F96-L100 WeakPolarHBondContact O-CG 3.32Å; F96-L100 PolarHBondContact O-N 3.13Å; D97-L100 PolarHBondContact O-N 3.17Å; L100-L109 HydrophobicContact CD2-CD1 4.4Å
101R76.8Confident71.7Confident127 Ų12785 Ų8548%0.47941%0.408SS..Hα-helixtrans-76.2-28176.7-73.2-177.7-170.4-69.3-19.2113.5E63 F64 D97 H103E63-R101 IonicContact OE1-CZ 3.5Å; E63-R101 IonicContact OE1-NH1 3.99Å; E63-R101 PolarHBondContact OE1-NH1 3.28Å; E63-R101 IonicContact OE1-NH2 2.79Å; E63-R101 PolarHBondContact OE1-NH2 2.89Å; F64-R101 HydrophobicContact CE1-CG 3.87Å; F64-R101 HydrophobicContact CZ-CG 4.46Å; D97-R101 VanDerWaalsContact CG-NE 3.29Å; D97-R101 WeakPolarHBondContact O-CB 3.34Å; D97-R101 VanDerWaalsContact O-CG 3.29Å; D97-R101 WeakPolarHBondContact O-CG 3.4Å; D97-R101 PolarHBondContact O-N 3.45Å; D97-R101 IonicContact OD1-CZ 3.57Å; D97-R101 IonicContact OD1-NE 3.46Å; D97-R101 PolarHBondContact OD1-NE 2.96Å; D97-R101 IonicContact OD1-NH2 2.89Å; D97-R101 PolarHBondContact OD1-NH2 2.72Å; D97-R101 IonicContact OD2-CZ 3.39Å; D97-R101 IonicContact OD2-NE 3.01Å; D97-R101 PolarHBondContact OD2-NE 3.22Å; D97-R101 IonicContact OD2-NH2 2.94Å; R101-H103 PolarHBondContact O-N 3.41Å; R101-H103 VanDerWaalsContact O-N 3.12Å
102D72.3Confident70Confident67 Ų6784.1 Ų84.136%0.35841%0.408SS..  trans-73.9106.1-179.6-178.620.7000112.1E98 Q104 T105 R106E98-D102 PolarHBondContact O-N 3.46Å; D102-Q104 PolarHBondContact O-N 2.88Å; D102-Q104 PolarHBondContact OD1-N 2.7Å; D102-Q104 VanDerWaalsContact OD1-N 3.12Å; D102-T105 PolarHBondContact O-N 3.21Å; D102-T105 VanDerWaalsContact O-N 3.11Å; D102-T105 WeakPolarHBondContact OD2-CB 3.43Å; D102-T105 PolarHBondContact OD2-N 3.27Å; D102-T105 PolarHBondContact OD2-OG1 3.42Å; D102-R106 PolarHBondContact O-N 2.9Å
103H60.2Low68.4Low145 Ų14593 Ų9367%0.67145%0.449SS*.Hα-helixtrans-58.8-30.7178.5-82.1-71.7000113.6R101R101-H103 PolarHBondContact O-N 3.41Å; R101-H103 VanDerWaalsContact O-N 3.12Å
104Q56.3Low67.4Low166 Ų16695 Ų9578%0.77647%0.465SS*.Hα-helixtrans-72-39176.8-71-171.3-1400111.1D102D102-Q104 PolarHBondContact O-N 2.88Å; D102-Q104 PolarHBondContact OD1-N 2.7Å; D102-Q104 VanDerWaalsContact OD1-N 3.12Å
105T56.3Low66.7Low43 Ų4392.7 Ų92.726%0.26445%0.451SS..Hα-helixtrans-70.3-29.1177.7-60.10000112.2T99 D102 L107 Y108 L109T99-T105 HydrophobicContact CG2-CG2 3.83Å; D102-T105 PolarHBondContact O-N 3.21Å; D102-T105 VanDerWaalsContact O-N 3.11Å; D102-T105 WeakPolarHBondContact OD2-CB 3.43Å; D102-T105 PolarHBondContact OD2-N 3.27Å; D102-T105 PolarHBondContact OD2-OG1 3.42Å; T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 3.34Å; T105-L107 VanDerWaalsContact O-N 3.14Å; T105-Y108 CarbonylContact O-C 3.53Å; T105-Y108 VanDerWaalsContact O-CA 3.3Å; T105-Y108 WeakPolarHBondContact O-CA 3.38Å; T105-Y108 WeakPolarHBondContact O-CB 3.31Å; T105-Y108 PolarHBondContact O-N 2.61Å; T105-L109 HydrophobicContact CG2-CD2 4.07Å; T105-L109 HydrophobicContact CG2-CG 4.19Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3Å
106R57.2Low66.3Low89 Ų8987 Ų8734%0.33643%0.429SS..Hα-helixtrans-55.6-32.7177.7-78.9-175.972.7171.60.5114.8D65 D102 L109D65-R106 IonicContact OD2-CZ 2.68Å; D65-R106 IonicContact OD2-NH1 3.85Å; D65-R106 IonicContact OD2-NH2 3.94Å; D65-R106 PolarHBondContact OD2-NH2 3.45Å; D102-R106 PolarHBondContact O-N 2.9Å; R106-L109 HydrophobicContact CG-CD1 4.36Å
107L53.1Low65.9Low140 Ų14094.4 Ų94.473%0.73346%0.457SS*.Hα-helixtrans-73.8-33.6172-98.4136.6000112.1T105T105-L107 VanDerWaalsContact C-N 3.25Å; T105-L107 PolarHBondContact O-N 3.34Å; T105-L107 VanDerWaalsContact O-N 3.14Å
108Y54.9Low65.7Low165 Ų16597.6 Ų97.665%0.64747%0.474SS*.Hα-helixtrans-76.2-27.2178.5-139.9-89.3000113.2T105 L110 C111 A112T105-Y108 CarbonylContact O-C 3.53Å; T105-Y108 VanDerWaalsContact O-CA 3.3Å; T105-Y108 WeakPolarHBondContact O-CA 3.38Å; T105-Y108 WeakPolarHBondContact O-CB 3.31Å; T105-Y108 PolarHBondContact O-N 2.61Å; Y108-L110 PolarHBondContact O-N 2.96Å; Y108-L110 VanDerWaalsContact O-N 3.14Å; Y108-C111 WeakPolarHBondContact O-CA 3.24Å; Y108-C111 PolarHBondContact O-N 3.04Å; Y108-A112 HydrophobicContact CD1-CB 4.19Å; Y108-A112 HydrophobicContact CE1-CB 4.49Å; Y108-A112 PolarHBondContact O-N 3.01Å
109L58.1Low66Low11 Ų1189.3 Ų89.36%0.05844%0.435CS..THydrogen-bonded Turntrans-57.5-27.1176.6-72.5-178.8000112.7L15 T99 L100 T105 R106 C111 T115 F116L15-L109 HydrophobicContact CD2-CB 4.33Å; T99-L109 HydrophobicContact CG2-CD2 3.73Å; L100-L109 HydrophobicContact CD2-CD1 4.4Å; T105-L109 HydrophobicContact CG2-CD2 4.07Å; T105-L109 HydrophobicContact CG2-CG 4.19Å; T105-L109 WeakPolarHBondContact O-CG 3.37Å; T105-L109 PolarHBondContact O-N 3Å; R106-L109 HydrophobicContact CG-CD1 4.36Å; L109-C111 PolarHBondContact O-N 3.48Å; L109-T115 HydrophobicContact CD2-CG2 4.22Å; L109-F116 HydrophobicContact CD1-CZ 4.12Å; L109-F116 HydrophobicContact CD2-CE2 3.66Å; L109-F116 HydrophobicContact CD2-CZ 3.43Å; L109-F116 VanDerWaalsContact CD2-CZ 3.43Å; L109-F116 HydrophobicContact CG-CZ 4.27Å
110L55Low66.3Low105 Ų10590.3 Ų90.355%0.5544%0.441SS..THydrogen-bonded Turntrans-70.7-19.1174.8-63.7172.4000113.1A13 Y108A13-L110 HydrophobicContact CB-CD2 3.14Å; Y108-L110 PolarHBondContact O-N 2.96Å; Y108-L110 VanDerWaalsContact O-N 3.14Å
111C51.2Low66.6Low104 Ų10496.4 Ų96.470%0.70347%0.469SS*.THydrogen-bonded Turntrans-112.3-14.9-171.8-64.20000114Y108 L109Y108-C111 WeakPolarHBondContact O-CA 3.24Å; Y108-C111 PolarHBondContact O-N 3.04Å; L109-C111 PolarHBondContact O-N 3.48Å
112A56.1Low67.2Low26 Ų2691 Ų9122%0.21545%0.452CS..  trans-113.484.9-174.800000111.4Y108 D114 T115Y108-A112 HydrophobicContact CD1-CB 4.19Å; Y108-A112 HydrophobicContact CE1-CB 4.49Å; Y108-A112 PolarHBondContact O-N 3.01Å; A112-D114 PolarHBondContact O-N 3.45Å; A112-T115 WeakPolarHBondContact CB-OG1 3.46Å; A112-T115 PolarHBondContact O-N 2.97Å; A112-T115 PolarHBondContact O-OG1 3.47Å; A112-T115 VanDerWaalsContact O-OG1 3.13Å
113Q57.3Low68.1Low185 Ų18587.9 Ų87.986%0.86444%0.435SS*.THydrogen-bonded Turntrans-60.4-24.6177.3-74-176.5-18.200113.3T115Q113-T115 PolarHBondContact O-N 2.75Å
114D66.6Low69.5Low116 Ų11684.2 Ų84.262%0.6242%0.419SS*.THydrogen-bonded Turntrans-77.1-18.1-177.2-73.4-52000113.9A112 F116 R117A112-D114 PolarHBondContact O-N 3.45Å; D114-F116 VanDerWaalsContact C-N 3.29Å; D114-F116 PolarHBondContact O-N 2.84Å; D114-R117 VanDerWaalsContact O-CB 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.32Å; D114-R117 PolarHBondContact O-N 3.32Å; D114-R117 IonicContact OD1-NH1 2.77Å
115T73.3Confident71.2Confident53 Ų5379.8 Ų79.833%0.32540%0.403SS..THydrogen-bonded Turntrans-60.7-36.5-173.7-49.70000112.9T99 L109 A112 Q113T99-T115 HydrophobicContact CG2-CG2 4.03Å; L109-T115 HydrophobicContact CD2-CG2 4.22Å; A112-T115 WeakPolarHBondContact CB-OG1 3.46Å; A112-T115 PolarHBondContact O-N 2.97Å; A112-T115 PolarHBondContact O-OG1 3.47Å; A112-T115 VanDerWaalsContact O-OG1 3.13Å; Q113-T115 PolarHBondContact O-N 2.75Å
116F79.7Confident72.8Confident3 Ų378.8 Ų78.81%0.01340%0.396CS..THydrogen-bonded Turntrans-100.68.3-176.3-57.3-72.1000113.4L15 W16 F92 F96 L109 D114 D118 M119L15-F116 HydrophobicContact CB-CD2 3.97Å; L15-F116 HydrophobicContact CB-CE2 3.88Å; L15-F116 HydrophobicContact CB-CZ 4.44Å; L15-F116 HydrophobicContact CD1-CE2 4.24Å; L15-F116 HydrophobicContact CD1-CZ 4.1Å; L15-F116 HydrophobicContact CD2-CE2 3.85Å; L15-F116 HydrophobicContact CD2-CZ 4.41Å; L15-F116 HydrophobicContact CG-CE2 4.22Å; L15-F116 VanDerWaalsContact O-CD2 3.3Å; L15-F116 WeakPolarHBondContact O-CD2 3.31Å; W16-F116 HydrophobicContact CB-CB 4.07Å; F92-F116 HydrophobicContact CE1-CD1 4.45Å; F92-F116 HydrophobicContact CE1-CE1 4.18Å; F92-F116 AromaticContact CE2-CD1 3.89Å; F92-F116 HydrophobicContact CE2-CD1 3.89Å; F92-F116 HydrophobicContact CE2-CE1 4.42Å; F92-F116 HydrophobicContact CE2-CG 4.46Å; F92-F116 AromaticContact CZ-CD1 3.5Å; F92-F116 HydrophobicContact CZ-CD1 3.5Å; F92-F116 AromaticContact CZ-CE1 3.59Å; F92-F116 HydrophobicContact CZ-CE1 3.59Å; F92-F116 HydrophobicContact CZ-CG 4.25Å; F92-F116 HydrophobicContact CZ-CZ 4.39Å; F96-F116 HydrophobicContact CB-CE1 4.28Å; F96-F116 HydrophobicContact CD1-CD1 4Å; F96-F116 HydrophobicContact CD1-CE1 4.15Å; F96-F116 AromaticContact CD2-CD1 3.82Å; F96-F116 HydrophobicContact CD2-CD1 3.82Å; F96-F116 HydrophobicContact CD2-CE1 4.09Å; F96-F116 AromaticContact CE1-CD1 3.96Å; F96-F116 HydrophobicContact CE1-CD1 3.96Å; F96-F116 AromaticContact CE2-CD1 3.78Å; F96-F116 HydrophobicContact CE2-CD1 3.78Å; F96-F116 HydrophobicContact CE2-CE1 4.49Å; F96-F116 AromaticContact CG-CD1 3.94Å; F96-F116 HydrophobicContact CG-CD1 3.94Å; F96-F116 AromaticContact CG-CE1 3.91Å; F96-F116 HydrophobicContact CG-CE1 3.91Å; F96-F116 HydrophobicContact CZ-CB 4.49Å; F96-F116 AromaticContact CZ-CD1 3.86Å; F96-F116 HydrophobicContact CZ-CD1 3.86Å; L109-F116 HydrophobicContact CD1-CZ 4.12Å; L109-F116 HydrophobicContact CD2-CE2 3.66Å; L109-F116 HydrophobicContact CD2-CZ 3.43Å; L109-F116 VanDerWaalsContact CD2-CZ 3.43Å; L109-F116 HydrophobicContact CG-CZ 4.27Å; D114-F116 VanDerWaalsContact C-N 3.29Å; D114-F116 PolarHBondContact O-N 2.84Å; F116-D118 PolarHBondContact O-N 3.38Å; F116-M119 WeakPolarHBondContact O-CB 3.47Å; F116-M119 PolarHBondContact O-N 2.88Å
117R76.3Confident74.4Confident169 Ų16974.8 Ų74.864%0.63838%0.381SS*.THydrogen-bonded Turntrans-61-31.3-173.8-168172.1-178.8175.5-2.2112.9D114 M119 V120D114-R117 VanDerWaalsContact O-CB 3.3Å; D114-R117 WeakPolarHBondContact O-CB 3.32Å; D114-R117 PolarHBondContact O-N 3.32Å; D114-R117 IonicContact OD1-NH1 2.77Å; R117-M119 PolarHBondContact O-N 3.03Å; R117-M119 VanDerWaalsContact O-N 3.12Å; R117-V120 WeakPolarHBondContact O-CG2 3.48Å; R117-V120 PolarHBondContact O-N 2.79Å; R117-V120 VanDerWaalsContact O-N 3.13Å
118D79.1Confident76.2Confident120 Ų12074.5 Ų74.564%0.64238%0.376SS*.THydrogen-bonded Turntrans-62.7-17177.2-67.5-15.4000113.3F116 V120F116-D118 PolarHBondContact O-N 3.38Å; D118-V120 VanDerWaalsContact C-N 3.28Å; D118-V120 PolarHBondContact O-N 3.34Å
119M87.7Confident77.9Confident0 Ų075.5 Ų75.50%038%0.379CS..Hα-helixtrans-70.4-20.7174.7-75-53.6-76.500114.4W16 F88 F92 R95 F96 F116 R117 H121 A122 F123W16-M119 HydrophobicContact CD2-CB 4.2Å; W16-M119 HydrophobicContact CG-CB 4.16Å; W16-M119 HydrophobicContact CZ2-CB 4.29Å; F88-M119 HydrophobicContact CD2-CE 3.97Å; F88-M119 HydrophobicContact CE2-CE 3.68Å; F92-M119 HydrophobicContact CB-CE 3.9Å; F92-M119 HydrophobicContact CD2-CE 3.83Å; F92-M119 HydrophobicContact CD2-CG 3.83Å; F92-M119 HydrophobicContact CD2-SD 4.22Å; F92-M119 HydrophobicContact CE2-CG 4.04Å; F92-M119 HydrophobicContact CG-CE 4.33Å; R95-M119 VanDerWaalsContact CD-SD 3.57Å; F96-M119 HydrophobicContact CD2-CG 4.47Å; F96-M119 HydrophobicContact CD2-SD 4.5Å; F96-M119 HydrophobicContact CE2-CG 3.25Å; F96-M119 HydrophobicContact CE2-SD 3.48Å; F96-M119 WeakPolarHBondContact CE2-SD 3.46Å; F96-M119 HydrophobicContact CZ-CG 3.61Å; F96-M119 HydrophobicContact CZ-SD 4.04Å; F116-M119 WeakPolarHBondContact O-CB 3.47Å; F116-M119 PolarHBondContact O-N 2.88Å; R117-M119 PolarHBondContact O-N 3.03Å; R117-M119 VanDerWaalsContact O-N 3.12Å; M119-H121 VanDerWaalsContact C-N 3.33Å; M119-H121 PolarHBondContact O-N 2.81Å; M119-A122 PolarHBondContact O-N 2.85Å; M119-A122 HydrophobicContact SD-CB 4.21Å; M119-F123 VanDerWaalsContact O-CB 3.23Å; M119-F123 WeakPolarHBondContact O-CB 3.47Å; M119-F123 PolarHBondContact O-N 3Å
120V85.1Confident79.4Confident56 Ų5676.4 Ų76.434%0.33938%0.382SS..Hα-helixtrans-58.4-50.4-179.5178.20000109.9R117 D118 E124R117-V120 WeakPolarHBondContact O-CG2 3.48Å; R117-V120 PolarHBondContact O-N 2.79Å; R117-V120 VanDerWaalsContact O-N 3.13Å; D118-V120 VanDerWaalsContact C-N 3.28Å; D118-V120 PolarHBondContact O-N 3.34Å; V120-E124 WeakPolarHBondContact O-CB 3.42Å; V120-E124 VanDerWaalsContact O-CG 3.31Å; V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 2.83Å
121H86.7Confident80.8Confident134 Ų13474 Ų7462%0.6237%0.369SS*.Hα-helixtrans-71.7-36.7-178.8-167.553.3000112.9M119 T125M119-H121 VanDerWaalsContact C-N 3.33Å; M119-H121 PolarHBondContact O-N 2.81Å; H121-T125 WeakPolarHBondContact O-CB 3.47Å; H121-T125 PolarHBondContact O-N 3.13Å; H121-T125 PolarHBondContact O-OG1 3.05Å
122A88.8Confident82.5Confident15 Ų1571.8 Ų71.812%0.12436%0.355CS..Hα-helixtrans-63.6-47177.200000111.3M119 T125 L126M119-A122 PolarHBondContact O-N 2.85Å; M119-A122 HydrophobicContact SD-CB 4.21Å; A122-T125 PolarHBondContact O-N 2.53Å; A122-L126 WeakPolarHBondContact O-CB 3.03Å; A122-L126 PolarHBondContact O-N 2.74Å
123F91.1Very high83.7Confident0 Ų072.9 Ų72.90%036%0.364CS..Hα-helixtrans-65-42.2177.5-174.8-99.8000112.1A5 W16 Y18 L84 F88 M119 T125 L126 L127A5-F123 HydrophobicContact CB-CE1 3.85Å; A5-F123 HydrophobicContact CB-CE2 4.02Å; A5-F123 HydrophobicContact CB-CZ 3.41Å; A5-F123 VanDerWaalsContact CB-CZ 3.41Å; W16-F123 HydrophobicContact CH2-CB 3.64Å; W16-F123 AromaticContact CH2-CD1 3.66Å; W16-F123 HydrophobicContact CH2-CD1 3.66Å; W16-F123 AromaticContact CH2-CD2 3.87Å; W16-F123 HydrophobicContact CH2-CD2 3.87Å; W16-F123 HydrophobicContact CH2-CE1 4.26Å; W16-F123 HydrophobicContact CH2-CE2 4.45Å; W16-F123 AromaticContact CH2-CG 3.43Å; W16-F123 HydrophobicContact CH2-CG 3.43Å; W16-F123 VanDerWaalsContact CH2-CG 3.43Å; W16-F123 HydrophobicContact CZ2-CB 3.7Å; W16-F123 HydrophobicContact CZ2-CD1 4.27Å; W16-F123 HydrophobicContact CZ2-CG 4.02Å; W16-F123 HydrophobicContact CZ3-CD2 4.48Å; W16-F123 HydrophobicContact CZ3-CG 4.43Å; Y18-F123 HydrophobicContact CD1-CD1 4.04Å; Y18-F123 AromaticContact CD1-CE1 3.65Å; Y18-F123 HydrophobicContact CD1-CE1 3.65Å; Y18-F123 HydrophobicContact CD2-CD1 4.16Å; Y18-F123 HydrophobicContact CE1-CD1 4.48Å; Y18-F123 HydrophobicContact CE1-CE1 4.09Å; Y18-F123 AromaticContact CG-CD1 3.86Å; Y18-F123 HydrophobicContact CG-CD1 3.86Å; Y18-F123 AromaticContact CG-CE1 3.93Å; Y18-F123 HydrophobicContact CG-CE1 3.93Å; L84-F123 HydrophobicContact CD2-CZ 4.48Å; F88-F123 HydrophobicContact CB-CD2 4.34Å; F88-F123 HydrophobicContact CB-CE2 4.21Å; F88-F123 HydrophobicContact CD1-CD2 4.26Å; F88-F123 AromaticContact CD1-CE2 3.95Å; F88-F123 HydrophobicContact CD1-CE2 3.95Å; F88-F123 AromaticContact CD2-CD2 3.52Å; F88-F123 HydrophobicContact CD2-CD2 3.52Å; F88-F123 HydrophobicContact CD2-CE2 4.04Å; F88-F123 HydrophobicContact CE1-CD2 4.47Å; F88-F123 HydrophobicContact CE1-CE2 4.3Å; F88-F123 AromaticContact CE2-CD2 3.77Å; F88-F123 HydrophobicContact CE2-CD2 3.77Å; F88-F123 HydrophobicContact CE2-CE2 4.39Å; F88-F123 AromaticContact CG-CD2 3.78Å; F88-F123 HydrophobicContact CG-CD2 3.78Å; F88-F123 AromaticContact CG-CE2 3.8Å; F88-F123 HydrophobicContact CG-CE2 3.8Å; F88-F123 HydrophobicContact CZ-CD2 4.24Å; M119-F123 VanDerWaalsContact O-CB 3.23Å; M119-F123 WeakPolarHBondContact O-CB 3.47Å; M119-F123 PolarHBondContact O-N 3Å; F123-T125 VanDerWaalsContact C-N 3.32Å; F123-T125 PolarHBondContact O-N 3.36Å; F123-L126 PolarHBondContact O-N 2.75Å; F123-L127 HydrophobicContact CE1-CD2 4.33Å; F123-L127 VanDerWaalsContact O-CB 3.28Å; F123-L127 WeakPolarHBondContact O-CB 3.36Å; F123-L127 PolarHBondContact O-N 3.32Å
124E90.4Very high84.6Confident69 Ų6966.5 Ų66.532%0.32234%0.335SS..Hα-helixtrans-59.9-42.4175.4-77.5178.6166.100112.2Y18 V120 L127 Q128Y18-E124 HydrophobicContact CE2-CG 3.79Å; V120-E124 WeakPolarHBondContact O-CB 3.42Å; V120-E124 VanDerWaalsContact O-CG 3.31Å; V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 2.83Å; E124-L127 PolarHBondContact O-N 2.85Å; E124-Q128 WeakPolarHBondContact O-CB 3.36Å; E124-Q128 VanDerWaalsContact O-CG 3.3Å; E124-Q128 WeakPolarHBondContact O-CG 2.96Å; E124-Q128 PolarHBondContact O-N 2.83Å
125T90.9Very high84.8Confident72 Ų7266 Ų6644%0.44234%0.336SS..Hα-helixtrans-64.2-43176.9-57.30000111.1H121 A122 F123 Q128 R129H121-T125 WeakPolarHBondContact O-CB 3.47Å; H121-T125 PolarHBondContact O-N 3.13Å; H121-T125 PolarHBondContact O-OG1 3.05Å; A122-T125 PolarHBondContact O-N 2.53Å; F123-T125 VanDerWaalsContact C-N 3.32Å; F123-T125 PolarHBondContact O-N 3.36Å; T125-Q128 PolarHBondContact O-N 2.82Å; T125-R129 PolarHBondContact O-N 3.13Å
126L90.4Very high84.4Confident22 Ų2273.7 Ų73.712%0.11536%0.359CS..Hα-helixtrans-64.3-45.9177.8-165.3151.6000110.4L84 A87 D91 A122 F123 Q128 R129 F130L84-L126 HydrophobicContact CD1-CD2 3.31Å; L84-L126 HydrophobicContact CG-CD2 4.14Å; A87-L126 HydrophobicContact CB-CD1 4.05Å; A87-L126 HydrophobicContact CB-CD2 4.09Å; A87-L126 HydrophobicContact CB-CG 4.4Å; D91-L126 HydrophobicContact CB-CD1 4.21Å; A122-L126 WeakPolarHBondContact O-CB 3.03Å; A122-L126 PolarHBondContact O-N 2.74Å; F123-L126 PolarHBondContact O-N 2.75Å; L126-Q128 PolarHBondContact O-N 2.81Å; L126-R129 WeakPolarHBondContact O-CB 3.46Å; L126-R129 PolarHBondContact O-N 3.1Å; L126-F130 HydrophobicContact CD2-CD2 3.83Å; L126-F130 HydrophobicContact CD2-CE2 3.78Å; L126-F130 HydrophobicContact CG-CD2 4.48Å; L126-F130 HydrophobicContact CG-CE2 4.32Å; L126-F130 VanDerWaalsContact O-CD2 3.32Å; L126-F130 WeakPolarHBondContact O-CD2 3.34Å; L126-F130 PolarHBondContact O-N 2.85Å; L126-F130 VanDerWaalsContact O-N 3.14Å
127L90.8Very high83.5Confident6 Ų678.7 Ų78.73%0.03139%0.391CS..Hα-helixtrans-59.8-46.2175-179.560.6000112.3I2 Y18 Y80 L84 F123 E124 R129 F130 I131I2-L127 HydrophobicContact CB-CD1 4.07Å; I2-L127 HydrophobicContact CG1-CD1 3.64Å; Y18-L127 HydrophobicContact CE1-CD2 4.24Å; Y80-L127 HydrophobicContact CE2-CD1 4.33Å; L84-L127 HydrophobicContact CD1-CB 4.47Å; L84-L127 HydrophobicContact CD1-CD1 4.2Å; L84-L127 HydrophobicContact CD2-CD1 4.03Å; F123-L127 HydrophobicContact CE1-CD2 4.33Å; F123-L127 VanDerWaalsContact O-CB 3.28Å; F123-L127 WeakPolarHBondContact O-CB 3.36Å; F123-L127 PolarHBondContact O-N 3.32Å; E124-L127 PolarHBondContact O-N 2.85Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.79Å; L127-F130 PolarHBondContact O-N 3.25Å; L127-I131 HydrophobicContact CD1-CD1 3.86Å; L127-I131 HydrophobicContact CD1-CG1 4.18Å; L127-I131 HydrophobicContact CD2-CD1 4.45Å; L127-I131 HydrophobicContact CG-CD1 3.74Å; L127-I131 HydrophobicContact CG-CG1 4.45Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.5Å; L127-I131 PolarHBondContact O-N 3.24Å
128Q90.1Very high82.6Confident134 Ų13473.4 Ų73.463%0.62638%0.383SS*.Hα-helixtrans-61.8-37.7176.8-75.91796.500112.5E124 T125 L126 S132E124-Q128 WeakPolarHBondContact O-CB 3.36Å; E124-Q128 VanDerWaalsContact O-CG 3.3Å; E124-Q128 WeakPolarHBondContact O-CG 2.96Å; E124-Q128 PolarHBondContact O-N 2.83Å; T125-Q128 PolarHBondContact O-N 2.82Å; L126-Q128 PolarHBondContact O-N 2.81Å; Q128-S132 VanDerWaalsContact O-CB 3.29Å; Q128-S132 WeakPolarHBondContact O-CB 3.41Å; Q128-S132 PolarHBondContact O-N 3.25Å; Q128-S132 PolarHBondContact O-OG 3.33Å
129R90.9Very high81.4Confident186 Ų18673.6 Ų73.670%0.70239%0.39SS*.Hα-helixtrans-62-44.8175.6178.3-179.5165.4-176.4-5.6111.6T125 L126 L127 S132 A133T125-R129 PolarHBondContact O-N 3.13Å; L126-R129 WeakPolarHBondContact O-CB 3.46Å; L126-R129 PolarHBondContact O-N 3.1Å; L127-R129 VanDerWaalsContact C-N 3.31Å; L127-R129 PolarHBondContact O-N 2.79Å; R129-S132 PolarHBondContact O-OG 3.48Å; R129-A133 WeakPolarHBondContact O-CB 3.36Å; R129-A133 PolarHBondContact O-N 3.46Å; R129-A133 VanDerWaalsContact O-N 3.07Å
130F89.2Confident79.8Confident29 Ų2984.6 Ų84.613%0.12743%0.432CS..Hα-helixtrans-71.1-41.2178.7-81.9-80.3000112.5Y80 E83 L84 A87 L126 L127 S132 A133 D134Y80-F130 HydrophobicContact CD2-CB 3.83Å; Y80-F130 HydrophobicContact CE2-CB 4.46Å; Y80-F130 HydrophobicContact CG-CB 4.1Å; E83-F130 HydrophobicContact CB-CD1 4.39Å; E83-F130 HydrophobicContact CB-CE1 3.53Å; E83-F130 HydrophobicContact CB-CZ 4.04Å; L84-F130 HydrophobicContact CB-CD2 4.36Å; L84-F130 HydrophobicContact CB-CG 4.44Å; L84-F130 HydrophobicContact CD1-CB 4.14Å; L84-F130 HydrophobicContact CD1-CD2 3.63Å; L84-F130 HydrophobicContact CD1-CE2 4.37Å; L84-F130 HydrophobicContact CD1-CG 4.08Å; A87-F130 HydrophobicContact CB-CE2 3.84Å; A87-F130 HydrophobicContact CB-CZ 4.03Å; L126-F130 HydrophobicContact CD2-CD2 3.83Å; L126-F130 HydrophobicContact CD2-CE2 3.78Å; L126-F130 HydrophobicContact CG-CD2 4.48Å; L126-F130 HydrophobicContact CG-CE2 4.32Å; L126-F130 VanDerWaalsContact O-CD2 3.32Å; L126-F130 WeakPolarHBondContact O-CD2 3.34Å; L126-F130 PolarHBondContact O-N 2.85Å; L126-F130 VanDerWaalsContact O-N 3.14Å; L127-F130 PolarHBondContact O-N 3.25Å; F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 2.93Å; F130-A133 PolarHBondContact O-N 2.97Å; F130-D134 WeakPolarHBondContact O-CB 3.06Å; F130-D134 PolarHBondContact O-N 3.03Å
131I86.4Confident78.5Confident56 Ų5688.2 Ų88.229%0.28746%0.455SS..Hα-helixtrans-59.9-45.5174.7-67.9169.1000110.9Y80 L127 A133 D134 V135Y80-I131 HydrophobicContact CE2-CG1 4.49Å; L127-I131 HydrophobicContact CD1-CD1 3.86Å; L127-I131 HydrophobicContact CD1-CG1 4.18Å; L127-I131 HydrophobicContact CD2-CD1 4.45Å; L127-I131 HydrophobicContact CG-CD1 3.74Å; L127-I131 HydrophobicContact CG-CG1 4.45Å; L127-I131 VanDerWaalsContact O-CG1 3.28Å; L127-I131 WeakPolarHBondContact O-CG1 3.5Å; L127-I131 PolarHBondContact O-N 3.24Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.38Å; I131-D134 PolarHBondContact O-N 3.23Å; I131-V135 WeakPolarHBondContact O-CG2 3.46Å; I131-V135 PolarHBondContact O-N 3.42Å; I131-V135 VanDerWaalsContact O-N 3.12Å
132S85.1Confident77Confident57 Ų5790.8 Ų90.840%0.39947%0.469SS..Hα-helixtrans-70.2-28-179.558.20000113.5Q128 R129 F130 R136Q128-S132 VanDerWaalsContact O-CB 3.29Å; Q128-S132 WeakPolarHBondContact O-CB 3.41Å; Q128-S132 PolarHBondContact O-N 3.25Å; Q128-S132 PolarHBondContact O-OG 3.33Å; R129-S132 PolarHBondContact O-OG 3.48Å; F130-S132 VanDerWaalsContact C-N 3.35Å; F130-S132 PolarHBondContact O-N 2.93Å; S132-R136 WeakPolarHBondContact O-CG 3.49Å
133A82.3Confident75.7Confident48 Ų4898.3 Ų98.340%0.39749%0.494SS..Hα-helixtrans-69.9-43171.800000111.7R129 F130 I131 V135 R136 T137R129-A133 WeakPolarHBondContact O-CB 3.36Å; R129-A133 PolarHBondContact O-N 3.46Å; R129-A133 VanDerWaalsContact O-N 3.07Å; F130-A133 PolarHBondContact O-N 2.97Å; I131-A133 VanDerWaalsContact C-N 3.33Å; I131-A133 PolarHBondContact O-N 3.38Å; A133-V135 PolarHBondContact O-N 3.36Å; A133-R136 WeakPolarHBondContact O-CB 3.45Å; A133-R136 PolarHBondContact O-N 2.97Å; A133-R136 VanDerWaalsContact O-N 3.11Å; A133-T137 PolarHBondContact O-N 3.34Å; A133-T137 PolarHBondContact O-OG1 3.49Å
134D76.9Confident74.8Confident51 Ų51102.1 Ų102.127%0.27352%0.518SS..Hα-helixtrans-66.9-35.8-178.9-159.550.2000112.4S79 Y80 F130 I131 R136 T137 A138S79-D134 PolarHBondContact OG-OD1 3.2Å; Y80-D134 HydrophobicContact CD1-CB 3.77Å; Y80-D134 HydrophobicContact CE1-CB 4.21Å; F130-D134 WeakPolarHBondContact O-CB 3.06Å; F130-D134 PolarHBondContact O-N 3.03Å; I131-D134 PolarHBondContact O-N 3.23Å; D134-R136 PolarHBondContact O-N 3.47Å; D134-T137 WeakPolarHBondContact CA-OG1 3.28Å; D134-T137 PolarHBondContact O-N 3.08Å; D134-T137 PolarHBondContact O-OG1 3.07Å; D134-A138 PolarHBondContact O-N 3.25Å
135V70.7Confident73.5Confident106 Ų106106.1 Ų106.164%0.64253%0.534SS*.Hα-helixtrans-65.1-28.9173.5174.30000112I131 A133I131-V135 WeakPolarHBondContact O-CG2 3.46Å; I131-V135 PolarHBondContact O-N 3.42Å; I131-V135 VanDerWaalsContact O-N 3.12Å; A133-V135 PolarHBondContact O-N 3.36Å
136R64.3Low72.4Confident214 Ų214110.1 Ų110.181%0.80855%0.548SS*.Hα-helixtrans-78.5-25.3179.4-71.4174.3-179.9-169.42113S132 A133 D134S132-R136 WeakPolarHBondContact O-CG 3.49Å; A133-R136 WeakPolarHBondContact O-CB 3.45Å; A133-R136 PolarHBondContact O-N 2.97Å; A133-R136 VanDerWaalsContact O-N 3.11Å; D134-R136 PolarHBondContact O-N 3.47Å
137T61.3Low71.5Confident109 Ų109114.6 Ų114.667%0.66957%0.568SS**Hα-helixtrans-89.1-13.4179.444.30000113.3A133 D134A133-T137 PolarHBondContact O-N 3.34Å; A133-T137 PolarHBondContact O-OG1 3.49Å; D134-T137 WeakPolarHBondContact CA-OG1 3.28Å; D134-T137 PolarHBondContact O-N 3.08Å; D134-T137 PolarHBondContact O-OG1 3.07Å
138A56.8Low70.6Confident57 Ų57116.3 Ų116.347%0.47158%0.581SS.*SBendtrans-54.8133.6173.500000111.4D134 R140D134-A138 PolarHBondContact O-N 3.25Å; A138-R140 PolarHBondContact O-N 3.44Å
139P53.4Low69.9Low124 Ų124116.1 Ų116.181%0.80558%0.58SS**PPolyproline II helixtrans-59.6124-174.422.1-31.5000110.4T141P139-T141 PolarHBondContact O-N 3.35Å
140R54.7Low69Low232 Ų232115.2 Ų115.288%0.87558%0.581SS**PPolyproline II helixtrans-54.2124175-71.1-177.5172.9-173.3-2.8108.9A138 M142A138-R140 PolarHBondContact O-N 3.44Å; R140-M142 PolarHBondContact O-N 3.45Å
141T57Low68.2Low132 Ų132113.9 Ų113.981%0.8158%0.575SS**PPolyproline II helixtrans-52.5137.8172.4460000109.7P139 R143P139-T141 PolarHBondContact O-N 3.35Å; T141-R143 PolarHBondContact O-N 3.02Å; T141-R143 VanDerWaalsContact O-N 3.12Å
142M56.3Low67.4Low188 Ų188117.4 Ų117.493%0.92659%0.589SS**PPolyproline II helixtrans-57.8119.7180-138.8-176.7-63.500108.3R140 T144R140-M142 PolarHBondContact O-N 3.45Å; M142-T144 PolarHBondContact O-N 3.39Å
143R61.1Low66.9Low172 Ų172121.6 Ų121.665%0.64960%0.599SS**PPolyproline II helixtrans-54.5135.8176.1-73.3-177.6-179.7174.8-0.7109.3T141 E147T141-R143 PolarHBondContact O-N 3.02Å; T141-R143 VanDerWaalsContact O-N 3.12Å; R143-E147 HydrophobicContact CB-CB 4.09Å
144T71.1Confident66.4Low81 Ų81122.8 Ų122.850%0.49760%0.602SS.*PPolyproline II helixtrans-62.1156.3173.449.50000110.2M142 E146 E147 S148M142-T144 PolarHBondContact O-N 3.39Å; T144-E146 PolarHBondContact O-N 2.81Å; T144-E146 VanDerWaalsContact O-N 3.16Å; T144-E147 PolarHBondContact N-OE2 3.01Å; T144-E147 WeakPolarHBondContact O-CB 3.24Å; T144-E147 PolarHBondContact O-N 3.09Å; T144-E147 VanDerWaalsContact OG1-CG 3.28Å; T144-E147 WeakPolarHBondContact OG1-CG 3.23Å; T144-E147 PolarHBondContact OG1-OE2 3.2Å; T144-S148 PolarHBondContact O-N 3.38Å
145F63.7Low66Low152 Ų152124.3 Ų124.367%0.66761%0.61SS**G310 helixtrans-53.7-39.6-178-179.1-99.6000111.4E147 S148 S151F145-E147 VanDerWaalsContact C-N 3.27Å; F145-E147 PolarHBondContact O-N 3.41Å; F145-S148 WeakPolarHBondContact O-CB 2.95Å; F145-S148 PolarHBondContact O-N 3.27Å; F145-S151 WeakPolarHBondContact O-CB 3.36Å; F145-S151 PolarHBondContact O-OG 3.09Å
146E68.8Low66.1Low157 Ų157122.3 Ų122.373%0.73460%0.6SS**G310 helixtrans-65.4-24.5178-65.4-178.4164.500114.1T144 S151T144-E146 PolarHBondContact O-N 2.81Å; T144-E146 VanDerWaalsContact O-N 3.16Å; E146-S151 PolarHBondContact O-OG 3.33Å
147E70.8Confident66.5Low115 Ų115115.2 Ų115.254%0.53759%0.588SS.*G310 helixtrans-88.1-8.3177.6-68.2171.5149.100113.3R143 T144 F145R143-E147 HydrophobicContact CB-CB 4.09Å; T144-E147 PolarHBondContact N-OE2 3.01Å; T144-E147 WeakPolarHBondContact O-CB 3.24Å; T144-E147 PolarHBondContact O-N 3.09Å; T144-E147 VanDerWaalsContact OG1-CG 3.28Å; T144-E147 WeakPolarHBondContact OG1-CG 3.23Å; T144-E147 PolarHBondContact OG1-OE2 3.2Å; F145-E147 VanDerWaalsContact C-N 3.27Å; F145-E147 PolarHBondContact O-N 3.41Å
148S72.8Confident66.9Low42 Ų42115.4 Ų115.429%0.29458%0.584SS.*SBendtrans-75.1128.2176.6-178.10000111.1T144 F145 K150 S151 K152T144-S148 PolarHBondContact O-N 3.38Å; F145-S148 WeakPolarHBondContact O-CB 2.95Å; F145-S148 PolarHBondContact O-N 3.27Å; S148-K150 PolarHBondContact O-N 3.15Å; S148-K150 PolarHBondContact OG-N 3.05Å; S148-S151 PolarHBondContact O-N 3.46Å; S148-S151 PolarHBondContact O-OG 2.78Å; S148-K152 PolarHBondContact O-N 3.04Å
149E73.9Confident67.5Low131 Ų131120.1 Ų120.161%0.61259%0.594SS**Hα-helixtrans-48.8-31.5168.2-86.6-88.6129.700112.6K153E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 VanDerWaalsContact O-N 3.15Å
150K72.7Confident67.8Low167 Ų167121.1 Ų121.173%0.72659%0.592SS**Hα-helixtrans-65.5-40.4175.1-105.8-179.2178.1179.10112.2S148 K153 T154S148-K150 PolarHBondContact O-N 3.15Å; S148-K150 PolarHBondContact OG-N 3.05Å; K150-K153 PolarHBondContact O-N 3.32Å; K150-T154 PolarHBondContact O-N 3.19Å; K150-T154 PolarHBondContact O-OG1 2.97Å
151S71.5Confident67.8Low0 Ų0114.5 Ų114.50%058%0.582CS.*Hα-helixtrans-71.8-35179.170.30000111.7F145 E146 S148 K153 T154 L155F145-S151 WeakPolarHBondContact O-CB 3.36Å; F145-S151 PolarHBondContact O-OG 3.09Å; E146-S151 PolarHBondContact O-OG 3.33Å; S148-S151 PolarHBondContact O-N 3.46Å; S148-S151 PolarHBondContact O-OG 2.78Å; S151-K153 VanDerWaalsContact C-N 3.28Å; S151-K153 PolarHBondContact O-N 2.94Å; S151-T154 PolarHBondContact O-N 2.59Å; S151-T154 VanDerWaalsContact O-N 3.15Å; S151-L155 WeakPolarHBondContact O-CB 3.39Å; S151-L155 WeakPolarHBondContact O-CG 3.4Å; S151-L155 PolarHBondContact O-N 3.4Å
152K70.7Confident67.3Low131 Ų131113.5 Ų113.557%0.5758%0.581SS**Hα-helixtrans-58.4-41.5170.8-74.8-175.3178.9178.50111.6S148 S156S148-K152 PolarHBondContact O-N 3.04Å; K152-S156 WeakPolarHBondContact O-CB 3.3Å; K152-S156 PolarHBondContact O-N 3.03Å; K152-S156 PolarHBondContact O-OG 3.19Å; K152-S156 VanDerWaalsContact O-OG 3.06Å
153K73.4Confident66.9Low144 Ų144111.3 Ų111.363%0.62657%0.572SS**Hα-helixtrans-66.2-39.6173.4-80.2-177.7178.1177.10113.3E149 K150 S151 S156 A157E149-K153 PolarHBondContact O-N 3.41Å; E149-K153 VanDerWaalsContact O-N 3.15Å; K150-K153 PolarHBondContact O-N 3.32Å; S151-K153 VanDerWaalsContact C-N 3.28Å; S151-K153 PolarHBondContact O-N 2.94Å; K153-S156 WeakPolarHBondContact CA-OG 3.32Å; K153-S156 PolarHBondContact O-OG 3.16Å; K153-A157 VanDerWaalsContact O-CB 3.26Å; K153-A157 WeakPolarHBondContact O-CB 3.13Å; K153-A157 PolarHBondContact O-N 3.35Å
154T72Confident66.1Low74 Ų74112.6 Ų112.645%0.45458%0.583SS.*Hα-helixtrans-68.4-40.9177.4-45.10000111.4K150 S151 A157 L158K150-T154 PolarHBondContact O-N 3.19Å; K150-T154 PolarHBondContact O-OG1 2.97Å; S151-T154 PolarHBondContact O-N 2.59Å; S151-T154 VanDerWaalsContact O-N 3.15Å; T154-A157 PolarHBondContact O-N 3.36Å; T154-L158 HydrophobicContact CG2-CD1 4.47Å; T154-L158 PolarHBondContact O-N 3.05Å
155L70.1Confident64.7Low83 Ų83112.4 Ų112.444%0.43560%0.596SS.*Hα-helixtrans-66.9-44.3176.1-73.4172.7000111S151 A157 L158 F159S151-L155 WeakPolarHBondContact O-CB 3.39Å; S151-L155 WeakPolarHBondContact O-CG 3.4Å; S151-L155 PolarHBondContact O-N 3.4Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.35Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 3.42Å; L155-L158 VanDerWaalsContact O-N 3.15Å; L155-F159 HydrophobicContact CB-CE2 4.46Å; L155-F159 WeakPolarHBondContact O-CD2 2.98Å; L155-F159 PolarHBondContact O-N 2.89Å; L155-F159 VanDerWaalsContact O-N 3.09Å
156S71.5Confident63.7Low63 Ų63111 Ų11144%0.44160%0.603SS.*Hα-helixtrans-64-38.1176.363.90000112.2K152 K153 L158 F159 D160K152-S156 WeakPolarHBondContact O-CB 3.3Å; K152-S156 PolarHBondContact O-N 3.03Å; K152-S156 PolarHBondContact O-OG 3.19Å; K152-S156 VanDerWaalsContact O-OG 3.06Å; K153-S156 WeakPolarHBondContact CA-OG 3.32Å; K153-S156 PolarHBondContact O-OG 3.16Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 2.93Å; S156-F159 PolarHBondContact O-N 3.4Å; S156-D160 PolarHBondContact O-N 2.92Å; S156-D160 VanDerWaalsContact O-N 3.09Å
157A72.6Confident62.6Low66 Ų66108.9 Ų108.955%0.54560%0.603SS.*Hα-helixtrans-66.7-28.8174.600000113.4K153 T154 L155K153-A157 VanDerWaalsContact O-CB 3.26Å; K153-A157 WeakPolarHBondContact O-CB 3.13Å; K153-A157 PolarHBondContact O-N 3.35Å; T154-A157 PolarHBondContact O-N 3.36Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 3.35Å
158L69.9Low61Low112 Ų112113.8 Ų113.859%0.58662%0.622SS**Hα-helixtrans-71.7-41.4173.9-89.9154.4000111.6T154 L155 S156 S161T154-L158 HydrophobicContact CG2-CD1 4.47Å; T154-L158 PolarHBondContact O-N 3.05Å; L155-L158 WeakPolarHBondContact O-CB 3.39Å; L155-L158 PolarHBondContact O-N 3.42Å; L155-L158 VanDerWaalsContact O-N 3.15Å; S156-L158 VanDerWaalsContact C-N 3.3Å; S156-L158 PolarHBondContact O-N 2.93Å; L158-S161 PolarHBondContact O-OG 3.45Å
159F69.6Low59.1Low157 Ų157123.7 Ų123.769%0.68965%0.653SS**Hα-helixtrans-75.4-28.3-178.7-69.9-66.8000114.2L155 S156 S161L155-F159 HydrophobicContact CB-CE2 4.46Å; L155-F159 WeakPolarHBondContact O-CD2 2.98Å; L155-F159 PolarHBondContact O-N 2.89Å; L155-F159 VanDerWaalsContact O-N 3.09Å; S156-F159 PolarHBondContact O-N 3.4Å; F159-S161 PolarHBondContact O-N 3.49Å
160D60.4Low57.5Low144 Ų144122.1 Ų122.177%0.7766%0.662SS**G310 helixtrans-72.4-9.9177.4-95.1-17.6000114.2S156 S162S156-D160 PolarHBondContact O-N 2.92Å; S156-D160 VanDerWaalsContact O-N 3.09Å; D160-S162 VanDerWaalsContact C-N 3.25Å; D160-S162 PolarHBondContact O-N 3.41Å
161S53.2Low55.9Low93 Ų93119.7 Ų119.765%0.6567%0.666SS**G310 helixtrans-82.311.5-174.466.50000115.5L158 F159 N163L158-S161 PolarHBondContact O-OG 3.45Å; F159-S161 PolarHBondContact O-N 3.49Å; S161-N163 PolarHBondContact O-N 3.25Å
162S47.7Very low54.4Low112 Ų112127.2 Ų127.278%0.78371%0.706SS**G310 helixtrans-85.48.1-174.960.50000115.9D160D160-S162 VanDerWaalsContact C-N 3.25Å; D160-S162 PolarHBondContact O-N 3.41Å
163N46.9Very low53.1Low141 Ų141129 Ų12975%0.75472%0.72SS**SBendtrans-145.3122.5176.2-141.7-9.8000112.1S161S161-N163 PolarHBondContact O-N 3.25Å
164K45.7Very low51.4Low200 Ų200127.3 Ų127.387%0.8772%0.724SS**SBendtrans98.2101.2173.8-56.4174.3178.9177.30117.6
165G40.4Very low49.6Very low76 Ų76131 Ų13178%0.78474%0.74SS**  trans68.3118.5133.800000120
166P43.1Very low48Very low123 Ų123137.2 Ų137.280%0.79976%0.763SS**  trans-97.6-178.4176.440.9-33.6000111.9
167P46.2Very low46.2Very low113 Ų113140.4 Ų140.473%0.73478%0.78SS**  -134.4176.3-57.538.6-22.8000112
168K37.9Very low44.4Very low217 Ų217140.9 Ų140.994%0.94379%0.792SS**  trans-140.9127.4152.2-79.9-168.2179.5176.30111.8
169R32.9Very low42.7Very low251 Ų251142.2 Ų142.295%0.94781%0.805SS**  trans-79145.1-176.5-80.3171.5156.9171-6.5113.5
170A39.1Very low41.3Very low97 Ų97139.8 Ų139.880%0.80280%0.804SS**  trans-176.4143.1138.300000107.9
171S39.9Very low40.1Very low116 Ų116142.9 Ų142.981%0.81181%0.811SS**  cis-168.1135.9-18.641.60000104.4
172L39.8Very low39.3Very low158 Ų158142.4 Ų142.483%0.82782%0.821SS**  trans-78.6157.9-175.3-66.1111000113.7
173I42Very low38.8Very low168 Ų168149 Ų14986%0.86283%0.829SS**  trans-136.6128.9141.9-55.4-179.3000108.9
174P39.3Very low38.6Very low110 Ų110147.9 Ų147.971%0.71483%0.829SS**  trans-112167.8-165.718.64.5000117.1
175L34.1Very low38.2Very low150 Ų150145.6 Ų145.679%0.78583%0.827SS**  trans-45.9157.8175.3-100.170.7000118.6T177L175-T177 HydrophobicContact CD2-CG2 4.3Å
176K35.5Very low38.2Very low214 Ų214146.5 Ų146.593%0.9382%0.817SS**  trans-136.9121.9144.3-94-176177.5177.70111.9
177T33.3Very low38Very low131 Ų131149.2 Ų149.280%0.80482%0.818SS**  trans-102.5151.4170.737.20000110.4L175L175-T177 HydrophobicContact CD2-CG2 4.3Å
178G36Very low37.6Very low76 Ų76149.4 Ų149.478%0.78482%0.82SS**  trans-166.1110.3169.800000112.3
179T33Very low37.6Very low140 Ų140146.9 Ų146.986%0.85982%0.815SS**  trans-116.5177.5159.446.40000106.6
180P41Very low37.6Very low105 Ų105144 Ų14468%0.68281%0.809SS**  cis-149-168.212.732.9-5.7000116.4
181K34.7Very low37.6Very low209 Ų209146.2 Ų146.291%0.90981%0.812SS**  trans89.3125.1151-64.4178.9-177.3-179.30121.5
182G36.9Very low37.4Very low83 Ų83146.1 Ų146.186%0.85681%0.807SS**  trans161.7126.6156.400000113.6
183R36.2Very low37.1Very low251 Ų251144.5 Ų144.595%0.94781%0.806SS**  trans-98.5174.8-170.4-106.7-170.8-176.6173.30.3112.7
184P43.9Very low36.8Very low118 Ų118145.3 Ų145.377%0.76681%0.806SS**  trans-100.6172.9-141.341.7-37.6000115.3
185N37.3Very low36.5Very low152 Ų152145.8 Ų145.881%0.81381%0.809SS**  178.1147.7127.1-145.64.9000114.7
186V40.1Very low36.4Very low95 Ų95144 Ų14458%0.57681%0.809SS**  trans83.8111.3150.9-162.10000123.7
187E39Very low36.3Very low179 Ų179140.5 Ų140.584%0.83681%0.806SS**  trans66.1164.5140.9-63.6171.1-166.800123.7
188P38.8Very low36.1Very low118 Ų118143.3 Ų143.377%0.76681%0.81SS**  -114164.2-8128.7-8000113.3
189I36.5Very low36Very low163 Ų163146.7 Ų146.784%0.83682%0.815SS**PPolyproline II helixtrans-73.9125.5-171.6-64.9169.4000112.4
190K33.2Very low35.9Very low192 Ų192144.4 Ų144.484%0.83581%0.81SS**PPolyproline II helixtrans-76.4129.4158.2-90.8178.2172.4177.20109.8
191V39.7Very low35.5Very low142 Ų142144.4 Ų144.486%0.86182%0.819SS**PPolyproline II helixtrans-81.3123167.2-179.90000108.9
192V35.8Very low35.4Very low115 Ų115143.5 Ų143.570%0.69782%0.815SS**  trans-106.7138.9171.9174.60000106.9
193P33.2Very low35.3Very low123 Ų123144.8 Ų144.880%0.79981%0.811SS**PPolyproline II helixtrans-76.1141.2-179.930.5-31.2000111.4
194Q34.5Very low35.8Very low186 Ų186138.7 Ų138.787%0.86980%0.797SS**PPolyproline II helixtrans-87.1155.4175.9-89-170.9-9.500112.5
195P33.4Very low36.3Very low120 Ų120139.9 Ų139.978%0.77980%0.797SS**PPolyproline II helixtrans-95152.3-155.836.6-32.5000114
196S32.5Very low37.1Very low113 Ų113137.9 Ų137.979%0.7979%0.791SS**PPolyproline II helixtrans-78.7138.7164.645.80000111.2
197T34.4Very low38.3Very low140 Ų140137.6 Ų137.686%0.85979%0.786SS**PPolyproline II helixtrans-62.2127.5176.733.70000112.7
198E28.3Very low39.6Very low190 Ų190133.7 Ų133.789%0.88877%0.77SS**PPolyproline II helixtrans-72.5133.2171.4-65.4173.5152.800111.5
199T33Very low41.2Very low147 Ų147131 Ų13190%0.90276%0.758SS**  trans-125.4105.2148.623.20000109.3
200A31.5Very low43.1Very low91 Ų91129.9 Ų129.975%0.75275%0.747SS**  trans-14.5117.2165.400000118.4
201A32.9Very low45Very low105 Ų105127.3 Ų127.387%0.86874%0.739SS**  trans-137.1116.2135.200000107.5
202K32.6Very low46.7Very low191 Ų191129.7 Ų129.783%0.8373%0.733SS**  trans-82.2159.1-172.7-69.7169.3175170.90110.3
203S33.8Very low48.6Very low110 Ų110130.1 Ų130.177%0.76973%0.727SS**  trans79.195.6171.374.10000116.4
204D47.4Very low50.8Low122 Ų122129.2 Ų129.265%0.65272%0.716SS**  trans-172.1-11.4143.9-95.7-13.3000113.4T206 D207D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 2.97Å; D204-D207 PolarHBondContact O-N 2.89Å
205D53.7Low52.7Low143 Ų143126.5 Ų126.577%0.76570%0.702SS**Hα-helixtrans-68.8-20.9-174.9-87.7-28.3000116.2
206T55.6Low54.7Low111 Ų111126.5 Ų126.568%0.68169%0.692SS**Hα-helixtrans-77.3-23.7-179.248.70000113.8D204D204-T206 VanDerWaalsContact C-N 3.34Å; D204-T206 PolarHBondContact O-N 2.97Å
207D64.9Low56.7Low88 Ų88129.7 Ų129.747%0.47169%0.687SS.*Hα-helixtrans-86.8-30.9-176.5-73.6-17.4000112.4D204 K210 M211D204-D207 PolarHBondContact O-N 2.89Å; D207-K210 PolarHBondContact O-N 2.9Å; D207-M211 WeakPolarHBondContact O-CG 3.33Å; D207-M211 PolarHBondContact O-N 3.48Å
208I66.2Low58.5Low98 Ų98133.5 Ų133.550%0.50369%0.686SS.*Hα-helixtrans-67.7-37.2176-56.7176.2000111M211 R212I208-M211 PolarHBondContact O-N 3.18Å; I208-R212 PolarHBondContact O-N 2.92Å
209A72.7Confident60Low62 Ų62131.2 Ų131.251%0.51268%0.677SS.*Hα-helixtrans-66-43.7176.400000112.4R212 E213A209-R212 PolarHBondContact O-N 3.2Å; A209-E213 PolarHBondContact O-N 3.39Å
210K76.6Confident61.3Low138 Ų138131.4 Ų131.460%0.667%0.668SS**Hα-helixtrans-65.4-37.3176.1-85.8179.6178.1170.30112.7D207 E213 N214D207-K210 PolarHBondContact O-N 2.9Å; K210-E213 PolarHBondContact O-N 2.66Å; K210-N214 PolarHBondContact O-N 3.32Å
211M73.3Confident62.4Low138 Ų138131.3 Ų131.368%0.6867%0.666SS**Hα-helixtrans-66.6-39.6175.1-73.9-159.2-134.700112.2D207 I208 N214 F215D207-M211 WeakPolarHBondContact O-CG 3.33Å; D207-M211 PolarHBondContact O-N 3.48Å; I208-M211 PolarHBondContact O-N 3.18Å; M211-N214 PolarHBondContact O-N 3.08Å; M211-F215 WeakPolarHBondContact O-CB 3.2Å; M211-F215 PolarHBondContact O-N 2.83Å
212R73.7Confident63Low192 Ų192129.6 Ų129.673%0.72566%0.659SS**Hα-helixtrans-63.3-41.1174.2-101.5-179.6167.9159.8-1.8112.6I208 A209 F215 M216I208-R212 PolarHBondContact O-N 2.92Å; A209-R212 PolarHBondContact O-N 3.2Å; R212-F215 PolarHBondContact O-N 3.43Å; R212-M216 WeakPolarHBondContact O-CG 3.38Å; R212-M216 PolarHBondContact O-N 2.97Å
213E76.4Confident63.2Low124 Ų124130 Ų13058%0.57966%0.661SS**Hα-helixtrans-65.6-44.2178-165-179.4176.700111.6A209 K210 F215 M216 R217A209-E213 PolarHBondContact O-N 3.39Å; K210-E213 PolarHBondContact O-N 2.66Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 2.97Å; E213-M216 PolarHBondContact O-N 2.6Å; E213-R217 PolarHBondContact O-N 3.36Å
214N78.5Confident63.3Low105 Ų105134.3 Ų134.356%0.56167%0.669SS**Hα-helixtrans-65.4-35176-85.4-18.8000112.9K210 M211 R218K210-N214 PolarHBondContact O-N 3.32Å; M211-N214 PolarHBondContact O-N 3.08Å; N214-R218 PolarHBondContact O-N 3.38Å; N214-R218 VanDerWaalsContact O-N 3.07Å
215F74.8Confident62.5Low129 Ų129138.5 Ų138.557%0.56668%0.681SS**Hα-helixtrans-67.1-43.9175.1-173.9-100000111.9M211 R212 E213 R217 R218 M219M211-F215 WeakPolarHBondContact O-CB 3.2Å; M211-F215 PolarHBondContact O-N 2.83Å; R212-F215 PolarHBondContact O-N 3.43Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 2.97Å; F215-R217 PolarHBondContact O-N 3.03Å; F215-R218 PolarHBondContact O-N 3.16Å; F215-M219 HydrophobicContact CE1-CE 4.08Å; F215-M219 HydrophobicContact CE1-CG 4.49Å; F215-M219 HydrophobicContact CE1-SD 4.33Å; F215-M219 HydrophobicContact CZ-CE 3.9Å; F215-M219 PolarHBondContact O-N 3.13Å; F215-M219 VanDerWaalsContact O-N 3.08Å
216M76.6Confident61.6Low119 Ų119142.2 Ų142.259%0.58669%0.691SS**Hα-helixtrans-63.2-39.5175.7-76.5-85.8-86.100112.1R212 E213 R218 M219 Q220R212-M216 WeakPolarHBondContact O-CG 3.38Å; R212-M216 PolarHBondContact O-N 2.97Å; E213-M216 PolarHBondContact O-N 2.6Å; M216-R218 PolarHBondContact O-N 2.92Å; M216-M219 PolarHBondContact O-N 2.95Å; M216-Q220 PolarHBondContact O-N 3.37Å
217R74.3Confident60.5Low181 Ų181142.1 Ų142.168%0.68369%0.694SS**Hα-helixtrans-64.2-38.3175.1-118.5176.5167.7170-2.7112.5E213 F215 Q220 A221E213-R217 PolarHBondContact O-N 3.36Å; F215-R217 PolarHBondContact O-N 3.03Å; R217-Q220 PolarHBondContact O-N 2.88Å; R217-A221 PolarHBondContact O-N 2.81Å
218R70.7Confident59.2Low220 Ų220147.9 Ų147.983%0.8372%0.715SS**Hα-helixtrans-68.7-33.4176.1-93-178.1152.5173.2-5.5113.2N214 F215 M216N214-R218 PolarHBondContact O-N 3.38Å; N214-R218 VanDerWaalsContact O-N 3.07Å; F215-R218 PolarHBondContact O-N 3.16Å; M216-R218 PolarHBondContact O-N 2.92Å
219M61.4Low57.7Low141 Ų141147.9 Ų147.970%0.69573%0.73SS**Hα-helixtrans-72.6-28.2175.1-88.7-154.1172.800113.7F215 M216F215-M219 HydrophobicContact CE1-CE 4.08Å; F215-M219 HydrophobicContact CE1-CG 4.49Å; F215-M219 HydrophobicContact CE1-SD 4.33Å; F215-M219 HydrophobicContact CZ-CE 3.9Å; F215-M219 PolarHBondContact O-N 3.13Å; F215-M219 VanDerWaalsContact O-N 3.08Å; M216-M219 PolarHBondContact O-N 2.95Å
220Q59.5Low56Low152 Ų152148.7 Ų148.771%0.7174%0.744SS**Hα-helixtrans-85.4-20.4-177.9-70.8-178.66.100114.3M216 R217 G222M216-Q220 PolarHBondContact O-N 3.37Å; R217-Q220 PolarHBondContact O-N 2.88Å; Q220-G222 VanDerWaalsContact C-N 3.27Å; Q220-G222 PolarHBondContact O-N 3.36Å
221A55.2Low54.3Low88 Ų88151.1 Ų151.173%0.72776%0.758SS**THydrogen-bonded Turntrans-77.6-0-177.600000115.4R217R217-A221 PolarHBondContact O-N 2.81Å
222G44.6Very low52.7Low69 Ų69149.4 Ų149.471%0.71176%0.757SS**THydrogen-bonded Turntrans-91.512.5-171.400000117.6Q220Q220-G222 VanDerWaalsContact C-N 3.27Å; Q220-G222 PolarHBondContact O-N 3.36Å
223K37.3Very low51Low199 Ų199149.6 Ų149.687%0.86576%0.763SS**  trans-133.884.3-175.8-85.8179.8175.7170.90112.8
224E35.7Very low49Very low201 Ų201151 Ų15194%0.93977%0.77SS**  trans-133.3122.8154.5-78.8-165.1156.900111.1
225K30.2Very low46.9Very low210 Ų210155.1 Ų155.191%0.91378%0.782SS**  trans-91.1139.1176.5-81.7175.8170.9176.60109.5
226K34.8Very low45.2Very low222 Ų222152.2 Ų152.297%0.96579%0.789SS**  trans-117.2131.8154.8-91.5-177.7176.8173.90110.1
227S32.6Very low43Very low109 Ų109157.1 Ų157.176%0.76281%0.807SS**  trans-116.8144.6-175.750.30000111.1
228K37.3Very low41.2Very low209 Ų209159.9 Ų159.991%0.90982%0.818SS**  trans169.1148.2149.1-98.1172.2-178.2-173.30108.4
229A36.3Very low40Very low98 Ų98155.6 Ų155.681%0.8182%0.816SS**  cis-176.9144.1-25.400000107
230G35.9Very low38.9Very low79 Ų79158.2 Ų158.281%0.81482%0.823SS**  trans92.214215600000117.7
231E42.3Very low38.3Very low189 Ų189159.8 Ų159.888%0.88383%0.83SS**  cis-173.2175.1-19.2-126.3-162.5172.400106.5
232P38.2Very low38.2Very low102 Ų102162.6 Ų162.666%0.66283%0.833SS**  -122170.5-123.137.8-19.7000115.8
233K37.7Very low38.6Very low196 Ų196171 Ų17185%0.85284%0.843SS**  174.1127.9129.3-96.7170.3-175.8-178.50114.5
234E36.1Very low39.2Very low154 Ų154166.1 Ų166.172%0.7283%0.833SS**  trans75.6127.8139.5-92.8-173.4-173.400124.7
235K34.1Very low39.5Very low190 Ų190166.8 Ų166.883%0.82683%0.827SS**  trans90.3114.2147.3-67.6171.1-1741710119.1
236G37.7Very low40Very low69 Ų69165.2 Ų165.271%0.71183%0.829SS**  trans125.8101.7160.700000112.9R238G236-R238 VanDerWaalsContact C-N 3.27Å; G236-R238 PolarHBondContact O-N 2.89Å
237K30.1Very low41.1Very low222 Ų222158.5 Ų158.597%0.96582%0.823SS**  trans-59.890.7164.3-93.6178.9173.4175.40108.4
238R38.1Very low42Very low239 Ų239157.8 Ų157.890%0.90281%0.814SS**  trans-90.9105.3162.9-90.4-178.4158.7175.4-6.4107.8G236G236-R238 VanDerWaalsContact C-N 3.27Å; G236-R238 PolarHBondContact O-N 2.89Å
239V44.4Very low42.7Very low130 Ų130151.4 Ų151.479%0.78879%0.794SS**  trans-57.8134.6164.6175.40000107.3E241V239-E241 PolarHBondContact O-N 2.87Å
240K39Very low43.6Very low196 Ų196150 Ų15085%0.85278%0.778SS**  trans-63.9102.6179.7-149.7176.7-172.1-179.60107.9N242K240-N242 PolarHBondContact O-N 3.29Å
241E46.9Very low44.8Very low184 Ų184155.9 Ų155.986%0.8678%0.781SS**  trans-63.6128.9172.1-82.5176161.500109V239V239-E241 PolarHBondContact O-N 2.87Å
242N52.8Low45.7Very low148 Ų148149.3 Ų149.379%0.79177%0.765SS**  trans-64.1139.3171.7-74.5-18.9000108.8K240 C244K240-N242 PolarHBondContact O-N 3.29Å; N242-C244 PolarHBondContact O-N 3.03Å
243R53.7Low46.9Very low244 Ų244147.3 Ų147.392%0.92175%0.748SS**  trans-62.7104.7172.9-144.3178.4-155.71693.2108.1
244C49Very low48Very low97 Ų97140.8 Ų140.866%0.65573%0.731SS**PPolyproline II helixtrans-80137.1166.2-76.50000108.8N242N242-C244 PolarHBondContact O-N 3.03Å
245W42.5Very low49.3Very low215 Ų215142.3 Ų142.381%0.81474%0.735SS**PPolyproline II helixtrans-78.9131.2166.6-67.184.9000107.5G247 V248W245-G247 PolarHBondContact O-N 3.42Å; W245-G247 VanDerWaalsContact O-N 3.09Å; W245-V248 HydrophobicContact CB-CG2 3.93Å; W245-V248 PolarHBondContact O-N 3.16Å; W245-V248 VanDerWaalsContact O-N 3.15Å
246D41.2Very low50.5Low177 Ų177140.7 Ų140.795%0.94773%0.73SS**THydrogen-bonded Turntrans-55.1117.7173.8-68-38.2000108.8
247G57.2Low51.6Low82 Ų82141.7 Ų141.785%0.84572%0.719SS**THydrogen-bonded Turntrans105.81.5-178.300000116.9W245W245-G247 PolarHBondContact O-N 3.42Å; W245-G247 VanDerWaalsContact O-N 3.09Å
248V51.2Low53Low94 Ų94134.6 Ų134.657%0.5769%0.692SS**PPolyproline II helixtrans-102.2121.1174.3-176.10000110.6W245 S250W245-V248 HydrophobicContact CB-CG2 3.93Å; W245-V248 PolarHBondContact O-N 3.16Å; W245-V248 VanDerWaalsContact O-N 3.15Å; V248-S250 PolarHBondContact O-N 2.84Å
249P51.5Low54Low75 Ų75128.8 Ų128.849%0.48767%0.673SS.*PPolyproline II helixtrans-61.5135-177.9-18.729.1000112.9D253 L257P249-D253 HydrophobicContact CB-CB 3.81Å; P249-L257 HydrophobicContact CB-CD1 3.37Å; P249-L257 HydrophobicContact CG-CD1 3.46Å; P249-L257 VanDerWaalsContact CG-CD1 3.46Å
250S56.4Low54.6Low67 Ų67125.9 Ų125.947%0.46966%0.659SS.*PPolyproline II helixtrans-75.1164.2176178.20000111.7V248 G252 D253 A254V248-S250 PolarHBondContact O-N 2.84Å; S250-G252 PolarHBondContact O-N 3.4Å; S250-D253 PolarHBondContact N-OD2 3.33Å; S250-D253 WeakPolarHBondContact O-CA 3.45Å; S250-D253 WeakPolarHBondContact O-CB 3.47Å; S250-D253 PolarHBondContact O-N 2.8Å; S250-A254 PolarHBondContact O-N 2.98Å
251K61.3Low55.2Low203 Ų203119.9 Ų119.988%0.88364%0.636SS**THydrogen-bonded Turntrans-54.6-22.6172.5-103.8-174.7177.6-177.90113.5
252G61.6Low55.5Low52 Ų52116.3 Ų116.354%0.53663%0.629SS.*THydrogen-bonded Turntrans-74.7-32.5172.500000113.6S250 A254S250-G252 PolarHBondContact O-N 3.4Å; G252-A254 VanDerWaalsContact C-N 3.29Å; G252-A254 PolarHBondContact O-N 3.21Å
253D61.8Low55.6Low60 Ų60114.8 Ų114.832%0.32163%0.625SS.*G310 helixtrans-78.9-17.3-179.6-53-31.7000111.5P249 S250 K255 Q256 L257P249-D253 HydrophobicContact CB-CB 3.81Å; S250-D253 PolarHBondContact N-OD2 3.33Å; S250-D253 WeakPolarHBondContact O-CA 3.45Å; S250-D253 WeakPolarHBondContact O-CB 3.47Å; S250-D253 PolarHBondContact O-N 2.8Å; D253-K255 PolarHBondContact O-N 2.87Å; D253-K255 VanDerWaalsContact O-N 3.12Å; D253-Q256 CarbonylContact O-C 3.45Å; D253-Q256 WeakPolarHBondContact O-CA 3.19Å; D253-Q256 PolarHBondContact O-N 3.45Å; D253-L257 HydrophobicContact CB-CD1 4.38Å; D253-L257 WeakPolarHBondContact O-CB 3.33Å; D253-L257 WeakPolarHBondContact O-CG 3.19Å; D253-L257 PolarHBondContact O-N 3.06Å
254A61.3Low55.5Low59 Ų59108 Ų10849%0.48861%0.61SS.*G310 helixtrans-56.5-27.5174.900000113.5S250 G252 D258S250-A254 PolarHBondContact O-N 2.98Å; G252-A254 VanDerWaalsContact C-N 3.29Å; G252-A254 PolarHBondContact O-N 3.21Å; A254-D258 PolarHBondContact O-N 3.24Å
255K63.3Low55.3Low185 Ų185107.6 Ų107.680%0.80460%0.601SS**G310 helixtrans-80.5-27.7172.7-74.1-173.2177.4-1760113.3D253D253-K255 PolarHBondContact O-N 2.87Å; D253-K255 VanDerWaalsContact O-N 3.12Å
256Q59.7Low55.2Low156 Ų15699.5 Ų99.573%0.72959%0.585SS**THydrogen-bonded Turntrans-81-25.3176-65.4-1776.900111.6D253D253-Q256 CarbonylContact O-C 3.45Å; D253-Q256 WeakPolarHBondContact O-CA 3.19Å; D253-Q256 PolarHBondContact O-N 3.45Å
257L60.1Low55.3Low90 Ų9097.3 Ų97.347%0.47158%0.58SS.*SBendtrans-924.4175-64.2169.5000113.2P249 D253 F259P249-L257 HydrophobicContact CB-CD1 3.37Å; P249-L257 HydrophobicContact CG-CD1 3.46Å; P249-L257 VanDerWaalsContact CG-CD1 3.46Å; D253-L257 HydrophobicContact CB-CD1 4.38Å; D253-L257 WeakPolarHBondContact O-CB 3.33Å; D253-L257 WeakPolarHBondContact O-CG 3.19Å; D253-L257 PolarHBondContact O-N 3.06Å; L257-F259 HydrophobicContact CD2-CE2 4.5Å; L257-F259 WeakPolarHBondContact O-CD2 3.47Å; L257-F259 PolarHBondContact O-N 3.44Å
258D59.1Low54.5Low73 Ų73101.4 Ų101.439%0.3958%0.578SS.*  trans-83.688.2177.5-175.49.8000110.7A254 S260A254-D258 PolarHBondContact O-N 3.24Å; D258-S260 PolarHBondContact O-N 3.49Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.47Å; D258-S260 PolarHBondContact OD1-N 3.3Å; D258-S260 VanDerWaalsContact OD1-N 3.09Å; D258-S260 PolarHBondContact OD1-OG 2.94Å
259F59.4Low54.2Low118 Ų118105.2 Ų105.252%0.51859%0.587SS.*THydrogen-bonded Turntrans-81.77.4175.6-59.6-78.8000113.5L257 N261 N265L257-F259 HydrophobicContact CD2-CE2 4.5Å; L257-F259 WeakPolarHBondContact O-CD2 3.47Å; L257-F259 PolarHBondContact O-N 3.44Å; F259-N261 VanDerWaalsContact C-N 3.34Å; F259-N265 PolarHBondContact O-ND2 3.41Å
260S58.7Low54.1Low69 Ų69106 Ų10648%0.48359%0.59SS.*THydrogen-bonded Turntrans-82.4-11.3-17874.50000113.7D258 P262D258-S260 PolarHBondContact O-N 3.49Å; D258-S260 VanDerWaalsContact OD1-CB 3.28Å; D258-S260 WeakPolarHBondContact OD1-CB 3.47Å; D258-S260 PolarHBondContact OD1-N 3.3Å; D258-S260 VanDerWaalsContact OD1-N 3.09Å; D258-S260 PolarHBondContact OD1-OG 2.94Å; S260-P262 WeakPolarHBondContact O-CD 3.46Å
261N50.5Low54.2Low69 Ų69109 Ų10937%0.36960%0.6SS.*  trans-88.8117.1-175.3-163.1-10.6000112.1F259 T263 V264 N265F259-N261 VanDerWaalsContact C-N 3.34Å; N261-T263 PolarHBondContact ND2-OG1 3.3Å; N261-T263 PolarHBondContact O-N 3.31Å; N261-T263 PolarHBondContact OD1-N 3.08Å; N261-T263 PolarHBondContact OD1-OG1 3.1Å; N261-V264 HydrophobicContact CB-CG2 4.23Å; N261-V264 PolarHBondContact O-N 3.41Å; N261-V264 VanDerWaalsContact O-N 3.1Å; N261-N265 PolarHBondContact O-N 2.81Å
262P54.2Low54.5Low110 Ų110102.3 Ų102.371%0.71458%0.575SS**THydrogen-bonded Turntrans-66.3-8-178.924.9-33000114.3S260S260-P262 WeakPolarHBondContact O-CD 3.46Å
263T53.3Low55.1Low115 Ų115106.7 Ų106.771%0.70658%0.581SS**THydrogen-bonded Turntrans-86.4-18.4174.549.20000114N261N261-T263 PolarHBondContact ND2-OG1 3.3Å; N261-T263 PolarHBondContact O-N 3.31Å; N261-T263 PolarHBondContact OD1-N 3.08Å; N261-T263 PolarHBondContact OD1-OG1 3.1Å
264V51.4Low55.8Low102 Ų102106.9 Ų106.962%0.61859%0.591SS**THydrogen-bonded Turntrans-94-32.8176.9-176.80000110.6N261 G266N261-V264 HydrophobicContact CB-CG2 4.23Å; N261-V264 PolarHBondContact O-N 3.41Å; N261-V264 VanDerWaalsContact O-N 3.1Å; V264-G266 PolarHBondContact O-N 2.99Å
265N45.2Very low56.5Low88 Ų88107.7 Ų107.747%0.47159%0.586SS.*SBendtrans-90.483.8168.3-70-33.5000109.4F259 N261F259-N265 PolarHBondContact O-ND2 3.41Å; N261-N265 PolarHBondContact O-N 2.81Å
266G41.8Very low57.3Low46 Ų4699.5 Ų99.547%0.47455%0.552SS.*  trans-53.6169.8162.400000111V264 E268V264-G266 PolarHBondContact O-N 2.99Å; G266-E268 PolarHBondContact O-N 2.68Å
267P41.8Very low58.3Low130 Ų13094.9 Ų94.984%0.84454%0.541SS*.  trans-72.970.8176.734.2-33.3000108.5K269P267-K269 VanDerWaalsContact C-N 3.28Å; P267-K269 PolarHBondContact O-N 3.01Å
268E41.5Very low59.3Low168 Ų16892.8 Ų92.879%0.78553%0.533SS*.  trans-69.297167.5-90.2-166.9166.200107.1G266 V270G266-E268 PolarHBondContact O-N 2.68Å; E268-V270 HydrophobicContact CB-CG2 4.01Å; E268-V270 PolarHBondContact O-N 3.15Å
269K44.4Very low60.4Low175 Ų17589.7 Ų89.776%0.76152%0.517SS*.  trans-61.365.9168.5-69.4179.7166.8-169.20110.7P267P267-K269 VanDerWaalsContact C-N 3.28Å; P267-K269 PolarHBondContact O-N 3.01Å
270V49.2Very low61.6Low91 Ų9190.6 Ų90.655%0.55252%0.516SS*.  trans-109.6109178.9-174.40000107.5E268 D272E268-V270 HydrophobicContact CB-CG2 4.01Å; E268-V270 PolarHBondContact O-N 3.15Å; V270-D272 PolarHBondContact O-N 3.23Å
271D58.5Low62.8Low129 Ų12993 Ų9369%0.6952%0.52SS*.SBendtrans53.4-9.7174.6-71.3-20.8000120.6E273 A274 L275D271-E273 PolarHBondContact O-N 3.18Å; D271-A274 PolarHBondContact O-N 3.27Å; D271-L275 PolarHBondContact O-N 3.27Å; D271-L275 VanDerWaalsContact O-N 3.08Å
272D68.5Low64.2Low64 Ų6491.9 Ų91.934%0.34251%0.511SS..Hα-helixtrans-61.1-41.3-179-84.6-14.2000113.1V270 A274 V276 H474V270-D272 PolarHBondContact O-N 3.23Å; D272-A274 VanDerWaalsContact C-N 3.35Å; D272-V276 WeakPolarHBondContact O-CB 3.47Å; D272-V276 VanDerWaalsContact O-CG2 3.23Å; D272-V276 WeakPolarHBondContact O-CG2 3.38Å; D272-V276 PolarHBondContact O-N 3.36Å; D272-H474 IonicContact OD1-CD2 3.23Å; D272-H474 IonicContact OD1-CE1 3.13Å; D272-H474 IonicContact OD1-NE2 3.36Å; D272-H474 PolarHBondContact OD1-NE2 2.93Å
273E74.1Confident65.4Low144 Ų14489.5 Ų89.567%0.67349%0.494SS*.Hα-helixtrans-67.3-35.8178.6-76.6-177.6-173.500112.1D271 A277D271-E273 PolarHBondContact O-N 3.18Å; E273-A277 WeakPolarHBondContact O-CB 3.3Å; E273-A277 PolarHBondContact O-N 3.44Å
274A75.9Confident66.7Low63 Ų6385.9 Ų85.952%0.52148%0.48SS..Hα-helixtrans-69.3-44.4179.700000111.2D271 D272 A277 S278D271-A274 PolarHBondContact O-N 3.27Å; D272-A274 VanDerWaalsContact C-N 3.35Å; A274-A277 PolarHBondContact O-N 3.35Å; A274-S278 PolarHBondContact O-N 3.13Å
275L75.9Confident68.1Low76 Ų7686.2 Ų86.240%0.39848%0.476SS..Hα-helixtrans-65.6-44.6175.5-171.973.3000111.3D271 A277 S278 E279 H474D271-L275 PolarHBondContact O-N 3.27Å; D271-L275 VanDerWaalsContact O-N 3.08Å; L275-A277 VanDerWaalsContact C-N 3.27Å; L275-A277 PolarHBondContact O-N 3.19Å; L275-S278 WeakPolarHBondContact CA-OG 3.24Å; L275-S278 PolarHBondContact O-N 3.47Å; L275-S278 PolarHBondContact O-OG 3.12Å; L275-E279 VanDerWaalsContact O-CG 3.32Å; L275-E279 WeakPolarHBondContact O-CG 3.3Å; L275-E279 PolarHBondContact O-N 3Å; L275-H474 VanDerWaalsContact CD2-CE1 3.48Å; L275-H474 WeakPolarHBondContact CD2-CE1 3.33Å
276V80.4Confident69.8Low14 Ų1482.9 Ų82.99%0.08546%0.458CS..Hα-helixtrans-61-40175171.20000110.4D272 E279 R280 H474 A477 L478D272-V276 WeakPolarHBondContact O-CB 3.47Å; D272-V276 VanDerWaalsContact O-CG2 3.23Å; D272-V276 WeakPolarHBondContact O-CG2 3.38Å; D272-V276 PolarHBondContact O-N 3.36Å; V276-E279 PolarHBondContact O-N 2.98Å; V276-R280 HydrophobicContact CG1-CG 4.38Å; V276-R280 WeakPolarHBondContact O-CB 3.36Å; V276-R280 VanDerWaalsContact O-CG 3.27Å; V276-R280 WeakPolarHBondContact O-CG 3.33Å; V276-R280 PolarHBondContact O-N 3.14Å; V276-H474 HydrophobicContact CG2-CB 4.02Å; V276-A477 HydrophobicContact CG1-CB 3.82Å; V276-A477 HydrophobicContact CG2-CB 4.19Å; V276-L478 HydrophobicContact CG1-CD2 4.14Å
277A81.1Confident71.4Confident59 Ų5987.8 Ų87.849%0.48847%0.466SS..Hα-helixtrans-64.1-4017600000112.6E273 A274 L275 R280E273-A277 WeakPolarHBondContact O-CB 3.3Å; E273-A277 PolarHBondContact O-N 3.44Å; A274-A277 PolarHBondContact O-N 3.35Å; L275-A277 VanDerWaalsContact C-N 3.27Å; L275-A277 PolarHBondContact O-N 3.19Å; A277-R280 PolarHBondContact O-N 3.32Å
278S80.6Confident73.2Confident46 Ų4683 Ų8332%0.32244%0.44SS..Hα-helixtrans-68-35.9174.964.80000112.2A274 L275 Q281A274-S278 PolarHBondContact O-N 3.13Å; L275-S278 WeakPolarHBondContact CA-OG 3.24Å; L275-S278 PolarHBondContact O-N 3.47Å; L275-S278 PolarHBondContact O-OG 3.12Å; S278-Q281 WeakPolarHBondContact O-CG 3.42Å; S278-Q281 PolarHBondContact O-NE2 3.25Å
279E82Confident74.9Confident8 Ų882.7 Ų82.74%0.03744%0.439CS..Hα-helixtrans-77-27.3177.8-63.7-64.2138.300112.5L275 V276 Q281 Y282 L478 T616 Y617L275-E279 VanDerWaalsContact O-CG 3.32Å; L275-E279 WeakPolarHBondContact O-CG 3.3Å; L275-E279 PolarHBondContact O-N 3Å; V276-E279 PolarHBondContact O-N 2.98Å; E279-Q281 PolarHBondContact O-N 3.42Å; E279-Q281 VanDerWaalsContact O-N 3.12Å; E279-Y282 PolarHBondContact O-N 2.96Å; E279-L478 HydrophobicContact CB-CD1 3.87Å; E279-L478 HydrophobicContact CB-CD2 4.22Å; E279-T616 WeakPolarHBondContact OE1-CB 3.29Å; E279-Y617 HydrophobicContact CB-CD2 4.41Å; E279-Y617 HydrophobicContact CG-CD2 4.01Å; E279-Y617 HydrophobicContact CG-CE2 4.29Å; E279-Y617 PolarHBondContact OE2-N 2.95Å
280R84Confident76.6Confident136 Ų13675.5 Ų75.551%0.51341%0.409SS..Hα-helixtrans-55.4-30.4176.7-87179.8-164.6-73.2-8.7113V276 A277 Y282 V283 A477 L478V276-R280 HydrophobicContact CG1-CG 4.38Å; V276-R280 WeakPolarHBondContact O-CB 3.36Å; V276-R280 VanDerWaalsContact O-CG 3.27Å; V276-R280 WeakPolarHBondContact O-CG 3.33Å; V276-R280 PolarHBondContact O-N 3.14Å; A277-R280 PolarHBondContact O-N 3.32Å; R280-Y282 PolarHBondContact O-N 3.44Å; R280-V283 PolarHBondContact O-N 3.04Å; R280-A477 PolarHBondContact NH1-O 3.09Å; R280-A477 PolarHBondContact NH2-O 3.48Å; R280-L478 HydrophobicContact CB-CD2 4.2Å; R280-L478 HydrophobicContact CG-CD2 3.53Å
281Q84Confident78Confident119 Ų11977.1 Ų77.156%0.55641%0.41SS*.THydrogen-bonded Turntrans-65.1-19.6178.983.3-169-5900113S278 E279S278-Q281 WeakPolarHBondContact O-CG 3.42Å; S278-Q281 PolarHBondContact O-NE2 3.25Å; E279-Q281 PolarHBondContact O-N 3.42Å; E279-Q281 VanDerWaalsContact O-N 3.12Å
282Y79.9Confident78.7Confident47 Ų4772.8 Ų72.818%0.18440%0.396CS..THydrogen-bonded Turntrans-96-7.8-178.6-53.3-53.2000113.5E279 R280 G284 M285 R618E279-Y282 PolarHBondContact O-N 2.96Å; R280-Y282 PolarHBondContact O-N 3.44Å; Y282-G284 PolarHBondContact O-N 3.32Å; Y282-M285 HydrophobicContact CD1-SD 3.96Å; Y282-M285 WeakPolarHBondContact O-CB 3.15Å; Y282-M285 PolarHBondContact O-N 3.46Å; Y282-M285 VanDerWaalsContact O-N 3.11Å; Y282-R618 HydrophobicContact CD2-CB 4.34Å; Y282-R618 HydrophobicContact CG-CB 4.25Å
283V79.9Confident78.6Confident60 Ų6071 Ų7136%0.36439%0.386SS..THydrogen-bonded Turntrans-63.2129.7177.8176.10000109.8R280 F443 E447 L478R280-V283 PolarHBondContact O-N 3.04Å; V283-F443 HydrophobicContact CG2-CE2 4.18Å; V283-F443 HydrophobicContact CG2-CZ 4.28Å; V283-E447 VanDerWaalsContact CA-OE1 3.29Å; V283-E447 WeakPolarHBondContact CA-OE1 3.34Å; V283-E447 WeakPolarHBondContact CG1-OE1 3.43Å; V283-L478 HydrophobicContact CG2-CB 4.22Å; V283-L478 HydrophobicContact CG2-CD2 3.95Å
284G79.9Confident77.7Confident39 Ų3968.2 Ų68.240%0.40239%0.387SS..THydrogen-bonded Turntrans90.2-11.1-174.800000115.2Y282 E447Y282-G284 PolarHBondContact O-N 3.32Å; G284-E447 WeakPolarHBondContact CA-OE2 3.29Å; G284-E447 PolarHBondContact N-OE1 3.03Å; G284-E447 PolarHBondContact N-OE2 2.78Å
285M81.6Confident76.3Confident108 Ų10870.4 Ų70.453%0.53239%0.387SS..THydrogen-bonded Turntrans-84.4-16.7-174.6-62.2-173.870.100114.1Y282Y282-M285 HydrophobicContact CD1-SD 3.96Å; Y282-M285 WeakPolarHBondContact O-CB 3.15Å; Y282-M285 PolarHBondContact O-N 3.46Å; Y282-M285 VanDerWaalsContact O-N 3.11Å
286M80.1Confident74.7Confident18 Ų1870 Ų709%0.08940%0.401CS..THydrogen-bonded Turntrans-111.726.6-174-55.3-161.7-43.200113.6L290 F443 W444 E447 N448 R618M286-L290 HydrophobicContact SD-CD2 4.5Å; M286-F443 HydrophobicContact CE-CD1 3.13Å; M286-F443 HydrophobicContact CE-CE1 3.48Å; M286-F443 VanDerWaalsContact CE-CE1 3.48Å; M286-F443 HydrophobicContact CE-CG 4.13Å; M286-F443 HydrophobicContact SD-CD1 4.29Å; M286-F443 HydrophobicContact SD-CE1 4.25Å; M286-W444 HydrophobicContact CE-CB 3.74Å; M286-E447 HydrophobicContact CB-CB 4.45Å; M286-E447 HydrophobicContact CB-CG 4.3Å; M286-N448 PolarHBondContact O-ND2 2.92Å; M286-R618 HydrophobicContact SD-CB 4.42Å; M286-R618 HydrophobicContact SD-CG 4.38Å
287K76.4Confident72.1Confident150 Ų15075.8 Ų75.865%0.65244%0.442SS*.  trans-71.1132.8175.5-70.1-171174.3-179.20111
288G79.5Confident69.6Low29 Ų2976.6 Ų76.630%0.29944%0.444SS..SBendtrans87.4-152.7179.500000113.5W444 N448G288-W444 PolarHBondContact O-NE1 2.88Å; G288-W444 VanDerWaalsContact O-NE1 3.12Å; G288-N448 WeakPolarHBondContact CA-OD1 3.1Å; G288-N448 PolarHBondContact N-OD1 3.44Å
289E78.1Confident67Low162 Ų16278.1 Ų78.176%0.75746%0.455SS*.SBendtrans-66.4135.1178.5-64-171.6160.900110.2
290L79.7Confident64.5Low24 Ų2484.9 Ų84.913%0.12649%0.491CS..PPolyproline II helixtrans-65.5144.2176.9-72.3171.2000110.6M286 W444 F610 L620 V622M286-L290 HydrophobicContact SD-CD2 4.5Å; L290-W444 HydrophobicContact CD1-CD2 4.23Å; L290-W444 HydrophobicContact CD1-CG 4.43Å; L290-W444 HydrophobicContact CD1-CZ2 4.45Å; L290-W444 HydrophobicContact CD2-CD2 4.44Å; L290-W444 HydrophobicContact CD2-CG 3.93Å; L290-W444 HydrophobicContact CG-CD2 4.25Å; L290-W444 HydrophobicContact CG-CG 4.26Å; L290-W444 HydrophobicContact CG-CZ2 4.26Å; L290-F610 HydrophobicContact CD1-CD1 3.63Å; L290-F610 HydrophobicContact CD1-CE1 3.54Å; L290-L620 HydrophobicContact CD1-CD2 3.82Å; L290-L620 HydrophobicContact CD1-CG 3.88Å; L290-V622 HydrophobicContact CB-CG2 3.82Å; L290-V622 HydrophobicContact CD1-CG2 4.26Å
291E77.2Confident62.1Low124 Ų12486.5 Ų86.558%0.57951%0.505SS*.PPolyproline II helixtrans-62.5143.7172.3-64.1174.417000111.1K621 V622E291-K621 HydrophobicContact CB-CD 4.21Å; E291-K621 VanDerWaalsContact O-CD 3.28Å; E291-K621 WeakPolarHBondContact O-CD 3.49Å; E291-K621 IonicContact OE2-NZ 2.66Å; E291-K621 PolarHBondContact OE2-NZ 3.42Å; E291-V622 PolarHBondContact O-N 2.79Å
292G73.4Confident59.5Low38 Ų3889.5 Ų89.539%0.39252%0.519SS..BIsolated β-bridgetrans-67.8162.5167.600000111.8A294 V622G292-A294 PolarHBondContact O-N 2.96Å; G292-V622 WeakPolarHBondContact CA-O 3.48Å
293I67.8Low57.3Low27 Ų2793.6 Ų93.614%0.13854%0.542CS..  trans-66.2115.6166.7-57.3169.1000106.9F587 V611 K621 V622 L623 V627I293-F587 HydrophobicContact CD1-CD1 4.01Å; I293-F587 HydrophobicContact CD1-CE1 3.71Å; I293-F587 HydrophobicContact CD1-CZ 4Å; I293-F587 HydrophobicContact CG2-CE1 4.38Å; I293-V611 HydrophobicContact CD1-CB 4.02Å; I293-V611 HydrophobicContact CD1-CG1 3.83Å; I293-V611 HydrophobicContact CD1-CG2 4.04Å; I293-K621 HydrophobicContact CG1-CB 3.97Å; I293-V622 PolarHBondContact N-O 2.86Å; I293-L623 HydrophobicContact CD1-CD1 4.19Å; I293-V627 HydrophobicContact CG2-CG1 4.21Å; I293-V627 WeakPolarHBondContact O-CG2 3.31Å
294A53.4Low54.9Low85 Ų8599.3 Ų99.370%0.70257%0.565SS**  trans-82.3140.8173.400000109.9G292 G296G292-A294 PolarHBondContact O-N 2.96Å; A294-G296 PolarHBondContact O-N 3.04Å; A294-G296 VanDerWaalsContact O-N 3.14Å
295E48Very low52.5Low110 Ų110104.7 Ų104.751%0.51458%0.58SS.*  trans-61.3115.5163.1-76.4179.9-172.500108.2S297 V627 S630E295-S297 PolarHBondContact O-N 3.48Å; E295-V627 HydrophobicContact CG-CB 4.21Å; E295-V627 HydrophobicContact CG-CG1 3.7Å; E295-V627 HydrophobicContact CG-CG2 3.98Å; E295-S630 WeakPolarHBondContact OE1-CB 3.37Å; E295-S630 PolarHBondContact OE1-OG 3.09Å
296G42Very low50.1Low67 Ų67105.8 Ų105.869%0.69159%0.592SS**  trans-58.7124.7166.500000108.1A294 S298A294-G296 PolarHBondContact O-N 3.04Å; A294-G296 VanDerWaalsContact O-N 3.14Å; G296-S298 VanDerWaalsContact C-N 3.25Å; G296-S298 PolarHBondContact O-N 3.07Å
297S26.2Very low47.6Very low135 Ų135110.3 Ų110.394%0.94462%0.617SS**  trans-46.182.7176.8169.90000112.3E295E295-S297 PolarHBondContact O-N 3.48Å
298S28.3Very low45.5Very low77 Ų77110.5 Ų110.554%0.53863%0.625SS.*  trans-116.4102.1166.8165.40000104.5G296 D300 K634G296-S298 VanDerWaalsContact C-N 3.25Å; G296-S298 PolarHBondContact O-N 3.07Å; S298-D300 PolarHBondContact O-N 2.96Å; S298-K634 PolarHBondContact O-NZ 3.47Å; S298-K634 PolarHBondContact OG-NZ 3.5Å; S298-K634 VanDerWaalsContact OG-NZ 3.16Å
299S26.3Very low43.1Very low78 Ų78116.9 Ų116.955%0.54565%0.647SS.*  trans-28.7130.1170.2380000111.7E301S299-E301 PolarHBondContact O-N 3.43Å
300D28.8Very low41Very low150 Ų150118.4 Ų118.480%0.80265%0.654SS**  trans-56.387157.6-70.6-40.7000107.3S298 E302S298-D300 PolarHBondContact O-N 2.96Å; D300-E302 PolarHBondContact O-N 3.03Å
301E33.2Very low38.6Very low169 Ų169126.8 Ų126.879%0.7969%0.692SS**  trans-74.4118162-76-169.9-179.400107S299S299-E301 PolarHBondContact O-N 3.43Å
302E30.6Very low36.4Very low183 Ų183124.2 Ų124.286%0.85570%0.699SS**  trans-41.5130.7-178.5-64.5169.1163.700111.8D300 E304D300-E302 PolarHBondContact O-N 3.03Å; E302-E304 PolarHBondContact O-N 2.91Å
303I33.3Very low34.5Very low132 Ų132127.8 Ų127.868%0.67772%0.718SS**  trans-57.8111.8167.1-63.2168.8000106.5E305I303-E305 PolarHBondContact O-N 3.06Å
304E29.4Very low32.6Very low181 Ų181131.9 Ų131.985%0.84675%0.749SS**  trans-56.8106.8166.9-76.1-167.2161.100108.4E302 V306E302-E304 PolarHBondContact O-N 2.91Å; E304-V306 PolarHBondContact O-N 3.15Å
305E29.5Very low31.7Very low152 Ų152135 Ų13571%0.7176%0.759SS**  trans-59.2107.4165.2-70.4-173.7159.700107.9I303 N307I303-E305 PolarHBondContact O-N 3.06Å; E305-N307 PolarHBondContact O-N 2.87Å
306V30.4Very low31.1Very low131 Ų131139.2 Ų139.279%0.79478%0.775SS**  trans-66.693.9163.5-176.10000106.6E304 D308E304-V306 PolarHBondContact O-N 3.15Å; V306-D308 PolarHBondContact O-N 2.98Å; V306-D308 VanDerWaalsContact O-N 3.14Å
307N27.4Very low30.5Very low113 Ų113148.3 Ų148.360%0.60479%0.789SS**  trans-64102.9167.5-101.7-35.4000108.6E305 H309E305-N307 PolarHBondContact O-N 2.87Å; N307-H309 VanDerWaalsContact C-N 3.29Å; N307-H309 PolarHBondContact O-N 3.4Å
308D33Very low30.9Very low153 Ų153145.5 Ų145.582%0.81878%0.781SS**  trans-68.894.6157.9-80.8-33.1000107.7V306 E310V306-D308 PolarHBondContact O-N 2.98Å; V306-D308 VanDerWaalsContact O-N 3.14Å; D308-E310 PolarHBondContact O-N 3.15Å
309H28.7Very low31.1Very low164 Ų164147.8 Ų147.876%0.75980%0.797SS**  trans-67112.7168.4-82-79000109.8N307N307-H309 VanDerWaalsContact C-N 3.29Å; N307-H309 PolarHBondContact O-N 3.4Å
310E34.1Very low31.4Very low194 Ų194147 Ų14791%0.90780%0.801SS**  trans-106.5120.1152.1-82.8-167.6159.200110D308D308-E310 PolarHBondContact O-N 3.15Å
311E29.6Very low31.7Very low200 Ų200152 Ų15294%0.93581%0.809SS**  trans-65.5137174.7-62.6179139.800111.5
312G31.9Very low32.1Very low69 Ų69146.3 Ų146.371%0.71180%0.795SS**  trans179.770.2175.800000118.1
313S32.6Very low32.8Very low114 Ų114145.3 Ų145.380%0.79779%0.789SS**  trans43.6111.5149.970.90000122.2
314S28.4Very low33.7Very low112 Ų112148 Ų14878%0.78380%0.796SS**  trans-10127.4141.852.20000120.1
315V34.9Very low34.7Very low150 Ų150143 Ų14391%0.90979%0.785SS**  trans-150.5142.2132.7-1790000112.2
316K33.8Very low35.5Very low199 Ų199138.1 Ų138.187%0.86577%0.771SS**  trans-45.9152.4-173.8-70.5165.4175.2173.30120.7
317R29.3Very low36.4Very low258 Ų258138.7 Ų138.797%0.97476%0.763SS**  trans-50.4136.1168.3-64.8176175.8160.9-1.2114.4
318G35Very low37.4Very low76 Ų76141.4 Ų141.478%0.78477%0.772SS**  trans-152.2107.9166.600000111.5
319S32.2Very low38.2Very low126 Ų126138.6 Ų138.688%0.88176%0.764SS**  trans-4.1126.3161-175.50000119.9
320G32.6Very low39Very low60 Ų60134.1 Ų134.162%0.61975%0.746SS**SBend83.9117.4123.400000118.7
321R35.4Very low40.1Very low255 Ų255130.6 Ų130.696%0.96274%0.737SS**SBendtrans9327.7147.5-142.5173.5179142.8-0.1119.3
322G42.4Very low41.4Very low50 Ų50122.2 Ų122.252%0.51570%0.704SS.*  trans-132.87.617800000118.2F324G322-F324 PolarHBondContact O-N 3.32Å
323F44.9Very low43.2Very low162 Ų162123.6 Ų123.671%0.71170%0.699SS**Hα-helixtrans-69.7-21.8-165.4-76.7-83.6000116.1F327F323-F327 VanDerWaalsContact O-CD2 3.32Å; F323-F327 WeakPolarHBondContact O-CD2 3.26Å
324F51.7Low45.3Very low190 Ų190123 Ų12383%0.83368%0.682SS**Hα-helixtrans-86.4-18-177.1-72.8-81.5000114.7G322G322-F324 PolarHBondContact O-N 3.32Å
325A51.1Low47.9Very low75 Ų75121.6 Ų121.662%0.6267%0.669SS**Hα-helixtrans-85.3-26.2179.900000113.3F327A325-F327 VanDerWaalsContact C-N 3.33Å
326A46.8Very low50.2Low50 Ų50114.5 Ų114.541%0.41363%0.626SS.*Hα-helixtrans-73.5-24.2175.400000112.9Q328 S329 L330A326-Q328 VanDerWaalsContact C-N 3.34Å; A326-Q328 PolarHBondContact O-N 3.24Å; A326-S329 PolarHBondContact O-OG 2.87Å; A326-S329 VanDerWaalsContact O-OG 3.06Å; A326-L330 VanDerWaalsContact O-CD1 3.24Å; A326-L330 WeakPolarHBondContact O-CD1 3.38Å; A326-L330 WeakPolarHBondContact O-CG 3.34Å; A326-L330 PolarHBondContact O-N 3.02Å
327F49.8Very low52.6Low143 Ų143108.6 Ų108.663%0.62760%0.604SS**THydrogen-bonded Turntrans-71.4-25.5177.2-91.3-89.9000113.3F323 A325 L330F323-F327 VanDerWaalsContact O-CD2 3.32Å; F323-F327 WeakPolarHBondContact O-CD2 3.26Å; A325-F327 VanDerWaalsContact C-N 3.33Å; F327-L330 PolarHBondContact O-N 3.32Å
328Q47.7Very low55.3Low169 Ų169103.4 Ų103.479%0.7959%0.591SS**THydrogen-bonded Turntrans-79.4-25.5178-76.3-175.2-21.400113.2A326 L330A326-Q328 VanDerWaalsContact C-N 3.34Å; A326-Q328 PolarHBondContact O-N 3.24Å; Q328-L330 VanDerWaalsContact C-N 3.31Å
329S50.2Low57.8Low94 Ų94107.5 Ų107.566%0.65759%0.589SS**THydrogen-bonded Turntrans-84-5.9171.559.60000113.6A326A326-S329 PolarHBondContact O-OG 2.87Å; A326-S329 VanDerWaalsContact O-OG 3.06Å
330L45.1Very low60.4Low71 Ų71102.8 Ų102.837%0.37256%0.558SS.*THydrogen-bonded Turntrans-95.51.6179.4-82.1160.3000113.4A326 F327 Q328 G332 F381A326-L330 VanDerWaalsContact O-CD1 3.24Å; A326-L330 WeakPolarHBondContact O-CD1 3.38Å; A326-L330 WeakPolarHBondContact O-CG 3.34Å; A326-L330 PolarHBondContact O-N 3.02Å; F327-L330 PolarHBondContact O-N 3.32Å; Q328-L330 VanDerWaalsContact C-N 3.31Å; L330-G332 PolarHBondContact O-N 2.82Å; L330-G332 VanDerWaalsContact O-N 3.14Å; L330-F381 HydrophobicContact CD2-CZ 3.85Å
331V55.9Low63.1Low119 Ų119100 Ų10072%0.72153%0.529SS*.  trans-86.349.6165.2-163.90000108.7
332G58.2Low65.7Low24 Ų2496.2 Ų96.225%0.24752%0.515CS..  trans-70.3140.4170.200000109.3L330 Q380L330-G332 PolarHBondContact O-N 2.82Å; L330-G332 VanDerWaalsContact O-N 3.14Å; G332-Q380 WeakPolarHBondContact O-CB 3Å; G332-Q380 PolarHBondContact O-N 2.84Å
333T69.1Low68.2Low98 Ų9897.3 Ų97.360%0.60151%0.512SS*.EExtended strand (participates in β ladder)trans-114.2143.9171.358.40000109.1V377 V378T333-V377 HydrophobicContact CG2-CG1 3.8Å; T333-V378 WeakPolarHBondContact CA-O 3.29Å
334K77.5Confident70.4Confident102 Ų10290.5 Ų90.544%0.44348%0.484SS..EExtended strand (participates in β ladder)trans-112.6124.6176.1-177.7175.4-179.4174.40107.8V378K334-V378 HydrophobicContact CB-CG2 4.25Å; K334-V378 PolarHBondContact N-O 3.21Å; K334-V378 WeakPolarHBondContact O-CG2 3.45Å; K334-V378 PolarHBondContact O-N 3.19Å
335T81.8Confident72.4Confident82 Ų8282.5 Ų82.550%0.50345%0.449SS..EExtended strand (participates in β ladder)trans-78.6130.6167.743.50000108.8V377T335-V377 HydrophobicContact CG2-CG2 3.89Å
336L83.7Confident74.5Confident2 Ų283.1 Ų83.11%0.0144%0.44CS..  trans-80128.4173.5-61.8178.4000108.8L341 L373 G375 R376 V378 I384 V387L336-L341 HydrophobicContact CB-CD1 4.4Å; L336-L341 HydrophobicContact CB-CG 4.44Å; L336-L341 HydrophobicContact CD1-CD2 4.22Å; L336-L373 HydrophobicContact CD1-CB 4.37Å; L336-G375 WeakPolarHBondContact O-CA 3.11Å; L336-G375 PolarHBondContact O-N 3.46Å; L336-R376 HydrophobicContact CD1-CB 4.49Å; L336-R376 PolarHBondContact N-O 3.12Å; L336-V378 HydrophobicContact CD1-CG1 3.7Å; L336-V378 HydrophobicContact CD1-CG2 4.37Å; L336-V378 HydrophobicContact CD2-CG2 3.84Å; L336-V378 HydrophobicContact CG-CG1 4.09Å; L336-V378 HydrophobicContact CG-CG2 4Å; L336-I384 HydrophobicContact CD2-CD1 4.31Å; L336-I384 HydrophobicContact CD2-CG1 3.88Å; L336-I384 HydrophobicContact CD2-CG2 4.3Å; L336-V387 HydrophobicContact CD1-CG1 4.04Å
337N84.2Confident76.8Confident74 Ų7487.5 Ų87.540%0.39645%0.449SS..  trans-112.5160.9170.865.8-10.5000110E339 A340 L341N337-E339 PolarHBondContact O-N 2.86Å; N337-A340 PolarHBondContact O-N 2.86Å; N337-A340 VanDerWaalsContact O-N 3.13Å; N337-A340 WeakPolarHBondContact OD1-CB 3.47Å; N337-A340 PolarHBondContact OD1-N 2.66Å; N337-L341 WeakPolarHBondContact O-CG 3.31Å; N337-L341 PolarHBondContact O-N 3.45Å
338E85.3Confident79Confident150 Ų15081.8 Ų81.870%0.70143%0.425SS*.Hα-helixtrans-50.2-42.3177.8-169.9178.3-17900113.1A340 L341 R342 D374E338-A340 PolarHBondContact O-N 3.21Å; E338-L341 PolarHBondContact O-N 3.18Å; E338-R342 PolarHBondContact O-N 2.85Å; E338-D374 PolarHBondContact N-OD1 2.77Å
339E87.6Confident81.3Confident161 Ų16175.6 Ų75.675%0.75240%0.395SS*.Hα-helixtrans-62.1-41.8-179.8-64.9-176.7165.200113N337 L341N337-E339 PolarHBondContact O-N 2.86Å; E339-L341 VanDerWaalsContact C-N 3.32Å
340A86.6Confident83.4Confident28 Ų2877.2 Ų77.223%0.23139%0.392CS..Hα-helixtrans-72.4-26.7178.400000112.6N337 E338 P344 I384N337-A340 PolarHBondContact O-N 2.86Å; N337-A340 VanDerWaalsContact O-N 3.13Å; N337-A340 WeakPolarHBondContact OD1-CB 3.47Å; N337-A340 PolarHBondContact OD1-N 2.66Å; E338-A340 PolarHBondContact O-N 3.21Å; A340-P344 WeakPolarHBondContact O-CD 2.95Å; A340-I384 HydrophobicContact CB-CD1 4.02Å
341L89.7Confident85.8Confident2 Ų276.9 Ų76.91%0.0139%0.389CS..Hα-helixtrans-81.3-25.7179.2-70.2173.4000113.1L336 N337 E338 E339 V343 P344 L345 L373 I384 V388L336-L341 HydrophobicContact CB-CD1 4.4Å; L336-L341 HydrophobicContact CB-CG 4.44Å; L336-L341 HydrophobicContact CD1-CD2 4.22Å; N337-L341 WeakPolarHBondContact O-CG 3.31Å; N337-L341 PolarHBondContact O-N 3.45Å; E338-L341 PolarHBondContact O-N 3.18Å; E339-L341 VanDerWaalsContact C-N 3.32Å; L341-V343 PolarHBondContact O-N 3.37Å; L341-P344 WeakPolarHBondContact O-CD 3.49Å; L341-L345 HydrophobicContact CB-CD1 3.86Å; L341-L345 HydrophobicContact CB-CG 4.42Å; L341-L345 WeakPolarHBondContact O-CB 3.5Å; L341-L345 VanDerWaalsContact O-CG 3.25Å; L341-L345 WeakPolarHBondContact O-CG 3.43Å; L341-L345 PolarHBondContact O-N 3.31Å; L341-L373 HydrophobicContact CD1-CB 3.77Å; L341-L373 HydrophobicContact CD2-CB 4.13Å; L341-L373 HydrophobicContact CD2-CD1 4.12Å; L341-I384 HydrophobicContact CD2-CG2 3.97Å; L341-V388 HydrophobicContact CD2-CG2 3.8Å
342R91.4Very high87.7Confident174 Ų17471.2 Ų71.266%0.65736%0.355SS*.Hα-helixtrans-53-50.9-173.2-168.9-179.269.589.10.6113.8E338 E346E338-R342 PolarHBondContact O-N 2.85Å; R342-E346 PolarHBondContact O-N 3.14Å
343V93Very high89.4Confident74 Ų7473.3 Ų73.345%0.44836%0.359SS..Hα-helixtrans-69.4-48.6-176.7174.90000112.2L341 L345 E346 K347L341-V343 PolarHBondContact O-N 3.37Å; V343-L345 VanDerWaalsContact C-N 3.33Å; V343-L345 PolarHBondContact O-N 3.01Å; V343-E346 PolarHBondContact O-N 2.84Å; V343-K347 PolarHBondContact O-N 3.48Å; V343-K347 VanDerWaalsContact O-N 3.11Å
344P92.9Very high90.5Very high19 Ų1971.1 Ų71.112%0.12336%0.356CS..Hα-helixtrans-58.2-40173.7-2936.6000114.2A340 L341 M348 I384 T385 V388A340-P344 WeakPolarHBondContact O-CD 2.95Å; L341-P344 WeakPolarHBondContact O-CD 3.49Å; P344-M348 WeakPolarHBondContact O-CB 3.44Å; P344-M348 PolarHBondContact O-N 3.35Å; P344-I384 HydrophobicContact CB-CG2 4.47Å; P344-I384 HydrophobicContact CG-CG2 3.89Å; P344-T385 HydrophobicContact CB-CG2 4.32Å; P344-T385 HydrophobicContact CG-CG2 4.3Å; P344-V388 HydrophobicContact CB-CB 4.39Å; P344-V388 HydrophobicContact CB-CG2 4.02Å
345L93.7Very high91.3Very high21 Ų2167 Ų6711%0.1134%0.338CS..Hα-helixtrans-68.2-40.6179.4-73.4172.7000112.2L341 V343 M348 K349 C366 V369 V388L341-L345 HydrophobicContact CB-CD1 3.86Å; L341-L345 HydrophobicContact CB-CG 4.42Å; L341-L345 WeakPolarHBondContact O-CB 3.5Å; L341-L345 VanDerWaalsContact O-CG 3.25Å; L341-L345 WeakPolarHBondContact O-CG 3.43Å; L341-L345 PolarHBondContact O-N 3.31Å; V343-L345 VanDerWaalsContact C-N 3.33Å; V343-L345 PolarHBondContact O-N 3.01Å; L345-M348 PolarHBondContact O-N 2.76Å; L345-K349 WeakPolarHBondContact O-CB 3.35Å; L345-K349 PolarHBondContact O-N 3.14Å; L345-C366 HydrophobicContact CD2-CB 4.43Å; L345-V369 HydrophobicContact CD2-CB 4.17Å; L345-V369 HydrophobicContact CD2-CG1 3.87Å; L345-V388 HydrophobicContact CD2-CG1 3.76Å; L345-V388 HydrophobicContact CD2-CG2 4.49Å; L345-V388 HydrophobicContact CG-CG1 4.46Å
346E94.9Very high91.8Very high89 Ų8964.9 Ų64.942%0.41632%0.324SS..Hα-helixtrans-66.7-42.5177.8-161.163.6-162.700111.3R342 V343 M348 K349 E350R342-E346 PolarHBondContact O-N 3.14Å; V343-E346 PolarHBondContact O-N 2.84Å; E346-M348 VanDerWaalsContact C-N 3.3Å; E346-M348 PolarHBondContact O-N 3.43Å; E346-K349 WeakPolarHBondContact O-CB 3.34Å; E346-K349 PolarHBondContact O-N 3.49Å; E346-K349 IonicContact OE1-NZ 3.55Å; E346-K349 IonicContact OE2-NZ 2.86Å; E346-E350 WeakPolarHBondContact O-CG 3.18Å; E346-E350 PolarHBondContact O-N 2.99Å
347K95.1Very high92.2Very high141 Ų14165 Ų6561%0.61333%0.325SS*.Hα-helixtrans-60-41173.2-73.5-174.3176.8-174.20112.1V343 E350 H351V343-K347 PolarHBondContact O-N 3.48Å; V343-K347 VanDerWaalsContact O-N 3.11Å; K347-E350 PolarHBondContact O-N 2.88Å; K347-H351 WeakPolarHBondContact O-CB 3.34Å; K347-H351 PolarHBondContact O-N 3.06Å
348M95.1Very high92.6Very high24 Ų2461.5 Ų61.512%0.11831%0.306CS..Hα-helixtrans-65.4-42.1176.8-177.162.46200111.7P344 L345 E346 H351 L352 V388 K389 V392 L633P344-M348 WeakPolarHBondContact O-CB 3.44Å; P344-M348 PolarHBondContact O-N 3.35Å; L345-M348 PolarHBondContact O-N 2.76Å; E346-M348 VanDerWaalsContact C-N 3.3Å; E346-M348 PolarHBondContact O-N 3.43Å; M348-H351 WeakPolarHBondContact O-CB 3.4Å; M348-H351 PolarHBondContact O-N 2.8Å; M348-L352 HydrophobicContact CG-CD1 4.29Å; M348-L352 WeakPolarHBondContact O-CG 3.48Å; M348-L352 PolarHBondContact O-N 3.37Å; M348-L352 HydrophobicContact SD-CG 4.46Å; M348-V388 HydrophobicContact CB-CG1 4.44Å; M348-K389 HydrophobicContact CE-CB 4.04Å; M348-K389 HydrophobicContact CE-CG 4.24Å; M348-V392 HydrophobicContact CG-CG1 4.31Å; M348-V392 HydrophobicContact CG-CG2 3.75Å; M348-V392 HydrophobicContact SD-CG1 4.2Å; M348-V392 HydrophobicContact SD-CG2 4.32Å; M348-L633 HydrophobicContact CE-CD2 4.47Å; M348-L633 HydrophobicContact SD-CD2 3.97Å
349K95.4Very high93Very high39 Ų3956.2 Ų56.217%0.1729%0.288CS..Hα-helixtrans-59.1-48.3175.6174.6-178.5164.9-176.10111.2L345 E346 H351 L352 I353 A362 D363 C366L345-K349 WeakPolarHBondContact O-CB 3.35Å; L345-K349 PolarHBondContact O-N 3.14Å; E346-K349 WeakPolarHBondContact O-CB 3.34Å; E346-K349 PolarHBondContact O-N 3.49Å; E346-K349 IonicContact OE1-NZ 3.55Å; E346-K349 IonicContact OE2-NZ 2.86Å; K349-H351 VanDerWaalsContact C-N 3.32Å; K349-H351 PolarHBondContact O-N 2.91Å; K349-L352 PolarHBondContact O-N 3.37Å; K349-I353 HydrophobicContact CG-CD1 4.03Å; K349-I353 VanDerWaalsContact O-CG1 3.31Å; K349-I353 WeakPolarHBondContact O-CG1 3.32Å; K349-I353 PolarHBondContact O-N 2.82Å; K349-A362 HydrophobicContact CG-CB 4.35Å; K349-D363 HydrophobicContact CD-CB 4.43Å; K349-D363 WeakPolarHBondContact CE-OD1 3.23Å; K349-D363 IonicContact NZ-OD1 2.66Å; K349-D363 PolarHBondContact NZ-OD1 3Å; K349-C366 HydrophobicContact CB-CB 4.37Å
350E95.9Very high93.2Very high127 Ų12753 Ų5359%0.59327%0.273SS*.Hα-helixtrans-59.2-42.6175.7-71.8177.2175.100111.9E346 K347 I353 G354E346-E350 WeakPolarHBondContact O-CG 3.18Å; E346-E350 PolarHBondContact O-N 2.99Å; K347-E350 PolarHBondContact O-N 2.88Å; E350-I353 PolarHBondContact O-N 2.77Å; E350-G354 PolarHBondContact O-N 2.86Å
351H95.2Very high93.4Very high65 Ų6551.8 Ų51.830%0.30126%0.262SS..Hα-helixtrans-60.3-47.9176.3-179.881.2000112.1K347 M348 K349 I353 G354 K355 L632K347-H351 WeakPolarHBondContact O-CB 3.34Å; K347-H351 PolarHBondContact O-N 3.06Å; M348-H351 WeakPolarHBondContact O-CB 3.4Å; M348-H351 PolarHBondContact O-N 2.8Å; K349-H351 VanDerWaalsContact C-N 3.32Å; K349-H351 PolarHBondContact O-N 2.91Å; H351-I353 VanDerWaalsContact C-N 3.34Å; H351-I353 PolarHBondContact O-N 3.37Å; H351-G354 WeakPolarHBondContact O-CA 3.47Å; H351-G354 PolarHBondContact O-N 2.95Å; H351-G354 VanDerWaalsContact O-N 3.13Å; H351-K355 WeakPolarHBondContact O-CG 3.38Å; H351-K355 PolarHBondContact O-N 3.25Å; H351-L632 PolarHBondContact CD2-O 3.21Å; H351-L632 VanDerWaalsContact CD2-O 3.28Å; H351-L632 PolarHBondContact NE2-O 3.14Å
352L94.6Very high93.6Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-61.8-41.1178-68.6173.5000112M348 K349 G354 K355 N356 V357 A362 L365 V392 L396M348-L352 HydrophobicContact CG-CD1 4.29Å; M348-L352 WeakPolarHBondContact O-CG 3.48Å; M348-L352 PolarHBondContact O-N 3.37Å; M348-L352 HydrophobicContact SD-CG 4.46Å; K349-L352 PolarHBondContact O-N 3.37Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-K355 CarbonylContact O-C 3.52Å; L352-K355 PolarHBondContact O-N 3.08Å; L352-K355 VanDerWaalsContact O-N 3.17Å; L352-N356 PolarHBondContact O-N 3.4Å; L352-V357 HydrophobicContact CB-CB 4.15Å; L352-V357 HydrophobicContact CB-CG2 4.08Å; L352-V357 HydrophobicContact CD2-CG2 4.35Å; L352-V357 VanDerWaalsContact O-CB 3.24Å; L352-V357 WeakPolarHBondContact O-CB 3.3Å; L352-V357 WeakPolarHBondContact O-CG2 3.48Å; L352-V357 PolarHBondContact O-N 3.49Å; L352-A362 HydrophobicContact CB-CB 4.1Å; L352-L365 HydrophobicContact CD1-CD2 3.64Å; L352-V392 HydrophobicContact CD1-CG1 4.35Å; L352-L396 HydrophobicContact CD2-CD1 4.28Å
353I94.1Very high93.7Very high67 Ų6745.8 Ų45.834%0.34424%0.243SC..Hα-helixtrans-63.1-42.5174.5-67.3169.7000110.5K349 E350 H351 K355 N356 A359 A362K349-I353 HydrophobicContact CG-CD1 4.03Å; K349-I353 VanDerWaalsContact O-CG1 3.31Å; K349-I353 WeakPolarHBondContact O-CG1 3.32Å; K349-I353 PolarHBondContact O-N 2.82Å; E350-I353 PolarHBondContact O-N 2.77Å; H351-I353 VanDerWaalsContact C-N 3.34Å; H351-I353 PolarHBondContact O-N 3.37Å; I353-K355 PolarHBondContact O-N 2.97Å; I353-N356 PolarHBondContact O-N 3.25Å; I353-A359 HydrophobicContact CD1-CB 4.04Å; I353-A359 HydrophobicContact CG1-CB 4.37Å; I353-A362 HydrophobicContact CD1-CB 4.37Å; I353-A362 HydrophobicContact CG1-CB 3.79Å
354G93.1Very high93.6Very high52 Ų5245.6 Ų45.654%0.53624%0.236SC..Hα-helixtrans-58.2-31.4174.200000113.4E350 H351 L352 N356E350-G354 PolarHBondContact O-N 2.86Å; H351-G354 WeakPolarHBondContact O-CA 3.47Å; H351-G354 PolarHBondContact O-N 2.95Å; H351-G354 VanDerWaalsContact O-N 3.13Å; L352-G354 VanDerWaalsContact C-N 3.34Å; G354-N356 VanDerWaalsContact C-N 3.26Å; G354-N356 PolarHBondContact O-N 2.77Å
355K93.3Very high93.5Very high16 Ų1645.1 Ų45.17%0.0723%0.233CC..THydrogen-bonded Turntrans-86.617.9174.3-62.6-76.6-176.7157.10113.9H351 L352 I353 V357 D592 K593 G595 A631 L632 K634H351-K355 WeakPolarHBondContact O-CG 3.38Å; H351-K355 PolarHBondContact O-N 3.25Å; L352-K355 CarbonylContact O-C 3.52Å; L352-K355 PolarHBondContact O-N 3.08Å; L352-K355 VanDerWaalsContact O-N 3.17Å; I353-K355 PolarHBondContact O-N 2.97Å; K355-V357 VanDerWaalsContact C-N 3.35Å; K355-V357 PolarHBondContact O-N 3.14Å; K355-D592 IonicContact NZ-OD2 2.89Å; K355-D592 PolarHBondContact NZ-OD2 2.9Å; K355-K593 CarbonylContact O-C 3.48Å; K355-K593 VanDerWaalsContact O-C 3.26Å; K355-K593 WeakPolarHBondContact O-CA 3.39Å; K355-G595 WeakPolarHBondContact O-CA 3.25Å; K355-G595 PolarHBondContact O-N 3.24Å; K355-A631 PolarHBondContact NZ-O 3.05Å; K355-A631 VanDerWaalsContact NZ-O 3.16Å; K355-L632 HydrophobicContact CB-CD2 3.7Å; K355-L632 HydrophobicContact CG-CD2 4.48Å; K355-K634 WeakPolarHBondContact CE-OXT 3.32Å; K355-K634 PolarHBondContact NZ-OXT 3.27Å
356N92.6Very high93.5Very high38 Ų3844.4 Ų44.420%0.20323%0.23CC..THydrogen-bonded Turntrans67.225.6177.4-162.542.8000114.8L352 I353 G354 A549 G552 K593 G595 A596L352-N356 PolarHBondContact O-N 3.4Å; I353-N356 PolarHBondContact O-N 3.25Å; G354-N356 VanDerWaalsContact C-N 3.26Å; G354-N356 PolarHBondContact O-N 2.77Å; N356-A549 PolarHBondContact ND2-O 3.11Å; N356-G552 VanDerWaalsContact OD1-CA 3.24Å; N356-G552 WeakPolarHBondContact OD1-CA 3.49Å; N356-K593 HydrophobicContact CB-CB 3.98Å; N356-G595 CarbonylContact O-C 3.49Å; N356-A596 PolarHBondContact O-N 3.46Å
357V93Very high93.3Very high4 Ų443.5 Ų43.52%0.02423%0.225CC..  trans-75.8134.2164.2-177.40000108.1L352 K355 A359 V361 A362 G595 V598 L632L352-V357 HydrophobicContact CB-CB 4.15Å; L352-V357 HydrophobicContact CB-CG2 4.08Å; L352-V357 HydrophobicContact CD2-CG2 4.35Å; L352-V357 VanDerWaalsContact O-CB 3.24Å; L352-V357 WeakPolarHBondContact O-CB 3.3Å; L352-V357 WeakPolarHBondContact O-CG2 3.48Å; L352-V357 PolarHBondContact O-N 3.49Å; K355-V357 VanDerWaalsContact C-N 3.35Å; K355-V357 PolarHBondContact O-N 3.14Å; V357-A359 PolarHBondContact O-N 2.98Å; V357-V361 HydrophobicContact CG1-CB 4.18Å; V357-V361 HydrophobicContact CG1-CG1 4.11Å; V357-A362 HydrophobicContact CG1-CB 4.08Å; V357-G595 VanDerWaalsContact CG2-CA 3.47Å; V357-V598 HydrophobicContact CG1-CG1 4.44Å; V357-L632 HydrophobicContact CG2-CD2 4.16Å
358A92.6Very high92.9Very high0 Ų037.6 Ų37.60%020%0.202CC..  trans-59.4137.2178.900000111.1E360 V361 A362 N553 I556 S599A358-E360 VanDerWaalsContact C-N 3.3Å; A358-E360 PolarHBondContact O-N 2.97Å; A358-V361 HydrophobicContact CB-CB 4.4Å; A358-V361 HydrophobicContact CB-CG2 4.15Å; A358-V361 WeakPolarHBondContact O-CA 3.48Å; A358-V361 WeakPolarHBondContact O-CB 3.45Å; A358-V361 PolarHBondContact O-N 2.86Å; A358-A362 PolarHBondContact O-N 3.04Å; A358-N553 WeakPolarHBondContact CA-OD1 3.31Å; A358-N553 WeakPolarHBondContact CB-OD1 3.29Å; A358-I556 HydrophobicContact CB-CD1 3.54Å; A358-I556 HydrophobicContact CB-CG1 3.98Å; A358-S599 WeakPolarHBondContact CB-OG 3.47Å; A358-S599 PolarHBondContact N-OG 2.83Å
359A93.2Very high92.7Very high39 Ų3936.4 Ų36.432%0.32220%0.196SC..Hα-helixtrans-59.3-40.5-168.500000112.9I353 V357 V361 A362 D363 N553I353-A359 HydrophobicContact CD1-CB 4.04Å; I353-A359 HydrophobicContact CG1-CB 4.37Å; V357-A359 PolarHBondContact O-N 2.98Å; A359-V361 VanDerWaalsContact C-N 3.32Å; A359-V361 PolarHBondContact O-N 2.97Å; A359-A362 PolarHBondContact O-N 2.85Å; A359-D363 WeakPolarHBondContact O-CB 3.36Å; A359-D363 PolarHBondContact O-N 3.11Å; A359-N553 PolarHBondContact N-OD1 2.84Å
360E91.6Very high92.5Very high95 Ų9535.1 Ų35.144%0.44419%0.194SC..Hα-helixtrans-63.6-36.9175.5-172.6-173.7165.700112.2A358 K364 I556A358-E360 VanDerWaalsContact C-N 3.3Å; A358-E360 PolarHBondContact O-N 2.97Å; E360-K364 HydrophobicContact CG-CD 4.42Å; E360-K364 WeakPolarHBondContact O-CB 3.39Å; E360-K364 VanDerWaalsContact O-CG 3.31Å; E360-K364 WeakPolarHBondContact O-CG 3.26Å; E360-K364 PolarHBondContact O-N 2.93Å; E360-K364 VanDerWaalsContact O-N 3.09Å; E360-K364 WeakPolarHBondContact OE1-CE 3.35Å; E360-K364 IonicContact OE1-NZ 3.05Å; E360-K364 PolarHBondContact OE1-NZ 2.82Å; E360-I556 HydrophobicContact CB-CD1 4.4Å
361V91.6Very high92Very high1 Ų131.5 Ų31.51%0.00618%0.18CC..Hα-helixtrans-73.1-43.8179.1177.80000110.5V357 A358 A359 D363 K364 L365 I556 V598 Y602 I603V357-V361 HydrophobicContact CG1-CB 4.18Å; V357-V361 HydrophobicContact CG1-CG1 4.11Å; A358-V361 HydrophobicContact CB-CB 4.4Å; A358-V361 HydrophobicContact CB-CG2 4.15Å; A358-V361 WeakPolarHBondContact O-CA 3.48Å; A358-V361 WeakPolarHBondContact O-CB 3.45Å; A358-V361 PolarHBondContact O-N 2.86Å; A359-V361 VanDerWaalsContact C-N 3.32Å; A359-V361 PolarHBondContact O-N 2.97Å; V361-D363 VanDerWaalsContact C-N 3.34Å; V361-D363 PolarHBondContact O-N 3.22Å; V361-K364 PolarHBondContact O-N 2.86Å; V361-L365 VanDerWaalsContact O-CB 3.28Å; V361-L365 WeakPolarHBondContact O-CB 3.36Å; V361-L365 PolarHBondContact O-N 3.05Å; V361-I556 HydrophobicContact CG2-CD1 3.82Å; V361-V598 HydrophobicContact CG1-CG1 4.31Å; V361-Y602 HydrophobicContact CB-CD1 4.29Å; V361-Y602 HydrophobicContact CG1-CD1 3.82Å; V361-Y602 HydrophobicContact CG1-CD2 4.33Å; V361-Y602 HydrophobicContact CG1-CE1 4.45Å; V361-Y602 HydrophobicContact CG1-CG 3.73Å; V361-Y602 HydrophobicContact CG2-CD1 3.73Å; V361-Y602 HydrophobicContact CG2-CE1 4.37Å; V361-Y602 HydrophobicContact CG2-CG 4.38Å; V361-I603 HydrophobicContact CG2-CD1 4.32Å; V361-I603 HydrophobicContact CG2-CG1 4.38Å
362A93.4Very high91.5Very high0 Ų031.2 Ų31.20%018%0.178CC..Hα-helixtrans-59.5-44.9175.600000111.4K349 L352 I353 V357 A358 A359 L365 C366K349-A362 HydrophobicContact CG-CB 4.35Å; L352-A362 HydrophobicContact CB-CB 4.1Å; I353-A362 HydrophobicContact CD1-CB 4.37Å; I353-A362 HydrophobicContact CG1-CB 3.79Å; V357-A362 HydrophobicContact CG1-CB 4.08Å; A358-A362 PolarHBondContact O-N 3.04Å; A359-A362 PolarHBondContact O-N 2.85Å; A362-L365 PolarHBondContact O-N 2.79Å; A362-C366 WeakPolarHBondContact O-CB 3.44Å; A362-C366 PolarHBondContact O-N 3Å; A362-C366 PolarHBondContact O-SG 3.48Å; A362-C366 VanDerWaalsContact O-SG 3.42Å
363D93.5Very high91.1Very high50 Ų5031.2 Ų31.227%0.26718%0.178SC..Hα-helixtrans-60.7-50.2177.2-171.162.9000112K349 A359 V361 L365 C366 Q367K349-D363 HydrophobicContact CD-CB 4.43Å; K349-D363 WeakPolarHBondContact CE-OD1 3.23Å; K349-D363 IonicContact NZ-OD1 2.66Å; K349-D363 PolarHBondContact NZ-OD1 3Å; A359-D363 WeakPolarHBondContact O-CB 3.36Å; A359-D363 PolarHBondContact O-N 3.11Å; V361-D363 VanDerWaalsContact C-N 3.34Å; V361-D363 PolarHBondContact O-N 3.22Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 2.87Å; D363-C366 PolarHBondContact O-N 3.33Å; D363-Q367 VanDerWaalsContact CG-NE2 3.33Å; D363-Q367 WeakPolarHBondContact O-CB 3.47Å; D363-Q367 VanDerWaalsContact O-CG 3.31Å; D363-Q367 WeakPolarHBondContact O-CG 3.27Å; D363-Q367 PolarHBondContact O-N 3.49Å; D363-Q367 PolarHBondContact OD2-NE2 3.23Å
364K90.8Very high90.8Very high70 Ų7031.4 Ų31.430%0.30418%0.18SC..Hα-helixtrans-62.6-39.2177.1-72.6177-173.9172.70112.7E360 V361 Q367 S368 Y602E360-K364 HydrophobicContact CG-CD 4.42Å; E360-K364 WeakPolarHBondContact O-CB 3.39Å; E360-K364 VanDerWaalsContact O-CG 3.31Å; E360-K364 WeakPolarHBondContact O-CG 3.26Å; E360-K364 PolarHBondContact O-N 2.93Å; E360-K364 VanDerWaalsContact O-N 3.09Å; E360-K364 WeakPolarHBondContact OE1-CE 3.35Å; E360-K364 IonicContact OE1-NZ 3.05Å; E360-K364 PolarHBondContact OE1-NZ 2.82Å; V361-K364 PolarHBondContact O-N 2.86Å; K364-Q367 PolarHBondContact O-N 3.34Å; K364-S368 WeakPolarHBondContact O-CB 3.46Å; K364-S368 PolarHBondContact O-N 3.26Å; K364-S368 PolarHBondContact O-OG 3.15Å; K364-Y602 WeakPolarHBondContact CB-OH 3.19Å; K364-Y602 HydrophobicContact CD-CE1 4Å; K364-Y602 WeakPolarHBondContact CD-OH 3.34Å
365L91.5Very high90.2Very high9 Ų929.9 Ų29.95%0.04716%0.164CC..Hα-helixtrans-62.8-48.8177.4-172.980.4000110.6L352 V361 A362 D363 Q367 S368 V369 V392 C395 L396 L399L352-L365 HydrophobicContact CD1-CD2 3.64Å; V361-L365 VanDerWaalsContact O-CB 3.28Å; V361-L365 WeakPolarHBondContact O-CB 3.36Å; V361-L365 PolarHBondContact O-N 3.05Å; A362-L365 PolarHBondContact O-N 2.79Å; D363-L365 VanDerWaalsContact C-N 3.34Å; D363-L365 PolarHBondContact O-N 2.87Å; L365-Q367 PolarHBondContact O-N 3.43Å; L365-S368 PolarHBondContact O-N 3.2Å; L365-V369 WeakPolarHBondContact O-CG2 3.27Å; L365-V369 PolarHBondContact O-N 2.96Å; L365-V392 HydrophobicContact CD2-CG1 4.11Å; L365-C395 HydrophobicContact CD1-CB 3.89Å; L365-L396 HydrophobicContact CD1-CD2 4.33Å; L365-L396 HydrophobicContact CD2-CD2 3.51Å; L365-L396 HydrophobicContact CD2-CG 3.97Å; L365-L399 HydrophobicContact CD1-CD1 4.26Å
366C93.1Very high89.8Confident7 Ų733.7 Ų33.75%0.04718%0.178CC..Hα-helixtrans-64.9-38.3179-73.70000112.3L345 K349 A362 D363 V369 G370L345-C366 HydrophobicContact CD2-CB 4.43Å; K349-C366 HydrophobicContact CB-CB 4.37Å; A362-C366 WeakPolarHBondContact O-CB 3.44Å; A362-C366 PolarHBondContact O-N 3Å; A362-C366 PolarHBondContact O-SG 3.48Å; A362-C366 VanDerWaalsContact O-SG 3.42Å; D363-C366 PolarHBondContact O-N 3.33Å; C366-V369 PolarHBondContact O-N 3.46Å; C366-G370 PolarHBondContact O-N 3.12Å
367Q91Very high89.3Confident69 Ų6934.5 Ų34.532%0.32218%0.184SC..Hα-helixtrans-61.3-46.9172.4-74.4169.714.800111.6N45 D363 K364 L365 V369 G370 V371N45-Q367 PolarHBondContact ND2-OE1 3.44Å; D363-Q367 VanDerWaalsContact CG-NE2 3.33Å; D363-Q367 WeakPolarHBondContact O-CB 3.47Å; D363-Q367 VanDerWaalsContact O-CG 3.31Å; D363-Q367 WeakPolarHBondContact O-CG 3.27Å; D363-Q367 PolarHBondContact O-N 3.49Å; D363-Q367 PolarHBondContact OD2-NE2 3.23Å; K364-Q367 PolarHBondContact O-N 3.34Å; L365-Q367 PolarHBondContact O-N 3.43Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 3.13Å; Q367-G370 WeakPolarHBondContact O-CA 3.37Å; Q367-G370 PolarHBondContact O-N 2.98Å; Q367-G370 VanDerWaalsContact O-N 3.11Å; Q367-V371 WeakPolarHBondContact O-CG2 3.24Å; Q367-V371 PolarHBondContact O-N 3.16Å
368S87.4Confident88.8Confident17 Ų1734.9 Ų34.912%0.11919%0.187CC..Hα-helixtrans-62.4-37.2177-69.40000112.9G42 G44 K364 L365 K372G42-S368 WeakPolarHBondContact O-CB 3.43Å; G42-S368 PolarHBondContact O-OG 3.21Å; G44-S368 PolarHBondContact N-OG 3.32Å; K364-S368 WeakPolarHBondContact O-CB 3.46Å; K364-S368 PolarHBondContact O-N 3.26Å; K364-S368 PolarHBondContact O-OG 3.15Å; L365-S368 PolarHBondContact O-N 3.2Å; S368-K372 WeakPolarHBondContact O-CB 3.34Å; S368-K372 PolarHBondContact O-N 2.94Å
369V90.8Very high88.2Confident0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-65.9-42.3172.4172.30000110.9L345 L365 C366 Q367 K372 L373 A391 V392 C395L345-V369 HydrophobicContact CD2-CB 4.17Å; L345-V369 HydrophobicContact CD2-CG1 3.87Å; L365-V369 WeakPolarHBondContact O-CG2 3.27Å; L365-V369 PolarHBondContact O-N 2.96Å; C366-V369 PolarHBondContact O-N 3.46Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 3.13Å; V369-K372 PolarHBondContact O-N 3.21Å; V369-L373 HydrophobicContact CG1-CD1 3.73Å; V369-L373 HydrophobicContact CG1-CG 4.2Å; V369-L373 WeakPolarHBondContact O-CB 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.43Å; V369-A391 HydrophobicContact CG1-CB 3.73Å; V369-V392 HydrophobicContact CB-CG2 4.45Å; V369-V392 HydrophobicContact CG1-CG2 4.14Å; V369-V392 HydrophobicContact CG2-CG2 3.9Å; V369-C395 HydrophobicContact CG2-CB 4.36Å
370G89.8Confident87.4Confident12 Ų1240 Ų4012%0.12422%0.215CC..Hα-helixtrans-57.5-51.5175.800000112C366 Q367 K372 L373 D374C366-G370 PolarHBondContact O-N 3.12Å; Q367-G370 WeakPolarHBondContact O-CA 3.37Å; Q367-G370 PolarHBondContact O-N 2.98Å; Q367-G370 VanDerWaalsContact O-N 3.11Å; G370-K372 VanDerWaalsContact C-N 3.25Å; G370-K372 PolarHBondContact O-N 2.99Å; G370-L373 PolarHBondContact O-N 3.17Å; G370-L373 VanDerWaalsContact O-N 3.16Å; G370-D374 WeakPolarHBondContact O-CB 3.25Å; G370-D374 PolarHBondContact O-N 2.83Å
371V85.9Confident86.7Confident51 Ų5143.1 Ų43.131%0.30923%0.228SC..Hα-helixtrans-60.7-33.8176.2174.90000112.1N62 Q367N62-V371 PolarHBondContact ND2-O 3.44Å; Q367-V371 WeakPolarHBondContact O-CG2 3.24Å; Q367-V371 PolarHBondContact O-N 3.16Å
372K84.8Confident86.2Confident59 Ų5945.1 Ų45.126%0.25724%0.241SC..Hα-helixtrans-73.6-32.2177.9-178.4179.6172.5-171.50112.9N62 S368 V369 G370 E394N62-K372 PolarHBondContact ND2-O 3.03Å; N62-K372 PolarHBondContact OD1-O 2.89Å; S368-K372 WeakPolarHBondContact O-CB 3.34Å; S368-K372 PolarHBondContact O-N 2.94Å; V369-K372 PolarHBondContact O-N 3.21Å; G370-K372 VanDerWaalsContact C-N 3.25Å; G370-K372 PolarHBondContact O-N 2.99Å; K372-E394 IonicContact NZ-OE2 3.9Å; K372-E394 PolarHBondContact NZ-OE2 3.01Å
373L87.2Confident85.8Confident0 Ų050.2 Ų50.20%027%0.268CS..Hα-helixtrans-93.1-21.5-176.7-69.9-178.3000113.5L336 L341 V369 G370 G375 R376 V387 V388 A391L336-L373 HydrophobicContact CD1-CB 4.37Å; L341-L373 HydrophobicContact CD1-CB 3.77Å; L341-L373 HydrophobicContact CD2-CB 4.13Å; L341-L373 HydrophobicContact CD2-CD1 4.12Å; V369-L373 HydrophobicContact CG1-CD1 3.73Å; V369-L373 HydrophobicContact CG1-CG 4.2Å; V369-L373 WeakPolarHBondContact O-CB 3.27Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 3.43Å; G370-L373 PolarHBondContact O-N 3.17Å; G370-L373 VanDerWaalsContact O-N 3.16Å; L373-G375 PolarHBondContact O-N 3.19Å; L373-R376 WeakPolarHBondContact O-CB 3.26Å; L373-R376 PolarHBondContact O-N 3Å; L373-V387 HydrophobicContact CD1-CG1 4.27Å; L373-V387 HydrophobicContact CD2-CG1 3.88Å; L373-V388 HydrophobicContact CD1-CB 4.41Å; L373-V388 HydrophobicContact CD1-CG2 3.75Å; L373-A391 HydrophobicContact CD1-CB 3.8Å; L373-A391 HydrophobicContact CD2-CB 3.93Å; L373-A391 HydrophobicContact CG-CB 4Å
374D86.3Confident85.6Confident71 Ų7149.2 Ų49.238%0.3826%0.263SS..THydrogen-bonded Turntrans-61.7127.9178.1-17239.9000111.1N62 E338 G370 R376N62-D374 WeakPolarHBondContact CB-O 3.44Å; N62-D374 PolarHBondContact ND2-O 3.37Å; E338-D374 PolarHBondContact N-OD1 2.77Å; G370-D374 WeakPolarHBondContact O-CB 3.25Å; G370-D374 PolarHBondContact O-N 2.83Å; D374-R376 VanDerWaalsContact C-N 3.27Å; D374-R376 PolarHBondContact O-N 3.25Å
375G81.9Confident85.6Confident20 Ų2049.8 Ų49.821%0.20627%0.272CS..THydrogen-bonded Turntrans79.1-5.6-172.300000115.3E63 L336 L373 V377E63-G375 WeakPolarHBondContact CA-O 3.34Å; E63-G375 WeakPolarHBondContact CB-O 3.32Å; L336-G375 WeakPolarHBondContact O-CA 3.11Å; L336-G375 PolarHBondContact O-N 3.46Å; L373-G375 PolarHBondContact O-N 3.19Å; G375-V377 PolarHBondContact O-N 2.98Å
376R84.5Confident85.5Confident96 Ų9652.1 Ų52.136%0.36229%0.289SS..  trans-68.9133.4-179.9-169.6177.6-176.2-176.62.3110.6L336 L373 D374 V378L336-R376 HydrophobicContact CD1-CB 4.49Å; L336-R376 PolarHBondContact N-O 3.12Å; L373-R376 WeakPolarHBondContact O-CB 3.26Å; L373-R376 PolarHBondContact O-N 3Å; D374-R376 VanDerWaalsContact C-N 3.27Å; D374-R376 PolarHBondContact O-N 3.25Å; R376-V378 HydrophobicContact CG-CG1 4.48Å
377V81.5Confident85.4Confident54 Ų5452.7 Ų52.733%0.32729%0.293SS..EExtended strand (participates in β ladder)trans-86123.4175.8-176.90000109.2E63 T333 T335 G375E63-V377 HydrophobicContact CG-CG2 3.91Å; T333-V377 HydrophobicContact CG2-CG1 3.8Å; T335-V377 HydrophobicContact CG2-CG2 3.89Å; G375-V377 PolarHBondContact O-N 2.98Å
378V83.8Confident85.5Confident13 Ų1349.5 Ų49.58%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-121.5155.4178.6-59.50000111.4T333 K334 L336 R376 S382 V387T333-V378 WeakPolarHBondContact CA-O 3.29Å; K334-V378 HydrophobicContact CB-CG2 4.25Å; K334-V378 PolarHBondContact N-O 3.21Å; K334-V378 WeakPolarHBondContact O-CG2 3.45Å; K334-V378 PolarHBondContact O-N 3.19Å; L336-V378 HydrophobicContact CD1-CG1 3.7Å; L336-V378 HydrophobicContact CD1-CG2 4.37Å; L336-V378 HydrophobicContact CD2-CG2 3.84Å; L336-V378 HydrophobicContact CG-CG1 4.09Å; L336-V378 HydrophobicContact CG-CG2 4Å; R376-V378 HydrophobicContact CG-CG1 4.48Å; V378-S382 WeakPolarHBondContact CB-OG 3.45Å; V378-S382 WeakPolarHBondContact CG2-OG 3.41Å; V378-V387 HydrophobicContact CB-CG2 4.49Å; V378-V387 HydrophobicContact CG1-CG1 4.09Å; V378-V387 HydrophobicContact CG1-CG2 4.1Å
379G79.7Confident85.8Confident42 Ų4251.3 Ų51.343%0.43328%0.283SS..EExtended strand (participates in β ladder)trans-65.2144.3178.100000111.5F381 S382G379-F381 PolarHBondContact O-N 3.32Å; G379-F381 VanDerWaalsContact O-N 3.09Å; G379-S382 WeakPolarHBondContact O-CB 3.48Å; G379-S382 PolarHBondContact O-N 3.39Å; G379-S382 PolarHBondContact O-OG 2.8Å
380Q74.9Confident85.9Confident105 Ų10555.3 Ų55.349%0.49130%0.302SS..THydrogen-bonded Turntrans-54.4-31.2-177.9178.7174.20.600114.3G332G332-Q380 WeakPolarHBondContact O-CB 3Å; G332-Q380 PolarHBondContact O-N 2.84Å
381F77.7Confident85.9Confident160 Ų16054.7 Ų54.770%0.70230%0.296SS*.THydrogen-bonded Turntrans-87.5-3179.2-56.8-74.4000114.3L330 G379L330-F381 HydrophobicContact CD2-CZ 3.85Å; G379-F381 PolarHBondContact O-N 3.32Å; G379-F381 VanDerWaalsContact O-N 3.09Å
382S80.3Confident86.3Confident42 Ų4252.3 Ų52.329%0.29428%0.281SS..SBendtrans-78.9128177.765.40000110.7V378 G379V378-S382 WeakPolarHBondContact CB-OG 3.45Å; V378-S382 WeakPolarHBondContact CG2-OG 3.41Å; G379-S382 WeakPolarHBondContact O-CB 3.48Å; G379-S382 PolarHBondContact O-N 3.39Å; G379-S382 PolarHBondContact O-OG 2.8Å
383L86.4Confident86.7Confident108 Ų10853.1 Ų53.157%0.56528%0.283SS*.  trans-71.3130171.7-66.7169.6000109T385 S386 V387L383-T385 PolarHBondContact O-N 3.02Å; L383-T385 VanDerWaalsContact O-N 3.17Å; L383-S386 PolarHBondContact O-N 3.32Å; L383-S386 PolarHBondContact O-OG 3.24Å; L383-V387 PolarHBondContact O-N 2.95Å; L383-V387 VanDerWaalsContact O-N 3.11Å
384I88.6Confident86.9Confident29 Ų2956.3 Ų56.315%0.14930%0.298CS..Hα-helixtrans-57.2-36.3178.1-61.3168.7000110.4L336 A340 L341 P344 S386 V387 V388L336-I384 HydrophobicContact CD2-CD1 4.31Å; L336-I384 HydrophobicContact CD2-CG1 3.88Å; L336-I384 HydrophobicContact CD2-CG2 4.3Å; A340-I384 HydrophobicContact CB-CD1 4.02Å; L341-I384 HydrophobicContact CD2-CG2 3.97Å; P344-I384 HydrophobicContact CB-CG2 4.47Å; P344-I384 HydrophobicContact CG-CG2 3.89Å; I384-S386 PolarHBondContact O-N 3.43Å; I384-V387 PolarHBondContact O-N 3.18Å; I384-V388 HydrophobicContact CG2-CG2 4.26Å; I384-V388 WeakPolarHBondContact O-CB 3.24Å; I384-V388 VanDerWaalsContact O-CG2 3.31Å; I384-V388 WeakPolarHBondContact O-CG2 3.48Å; I384-V388 PolarHBondContact O-N 3.45Å
385T89.9Confident87Confident81 Ų8153.9 Ų53.950%0.49729%0.286SS..Hα-helixtrans-60.8-39.917651.10000112.7P344 L383 K389P344-T385 HydrophobicContact CB-CG2 4.32Å; P344-T385 HydrophobicContact CG-CG2 4.3Å; L383-T385 PolarHBondContact O-N 3.02Å; L383-T385 VanDerWaalsContact O-N 3.17Å; T385-K389 VanDerWaalsContact O-CB 3.29Å; T385-K389 WeakPolarHBondContact O-CB 3.4Å; T385-K389 PolarHBondContact O-N 2.75Å
386S90.8Very high87.5Confident59 Ų5953 Ų5341%0.41328%0.276SS..Hα-helixtrans-72-37.9177.769.20000111.6L383 I384 K389 E390L383-S386 PolarHBondContact O-N 3.32Å; L383-S386 PolarHBondContact O-OG 3.24Å; I384-S386 PolarHBondContact O-N 3.43Å; S386-K389 PolarHBondContact O-N 3.25Å; S386-E390 WeakPolarHBondContact O-CB 3.44Å; S386-E390 PolarHBondContact O-N 2.77Å
387V91Very high87.7Confident19 Ų1949.8 Ų49.812%0.11527%0.268CS..Hα-helixtrans-62.5-43.8173.8179.10000111.1L336 L373 V378 L383 I384 E390 A391L336-V387 HydrophobicContact CD1-CG1 4.04Å; L373-V387 HydrophobicContact CD1-CG1 4.27Å; L373-V387 HydrophobicContact CD2-CG1 3.88Å; V378-V387 HydrophobicContact CB-CG2 4.49Å; V378-V387 HydrophobicContact CG1-CG1 4.09Å; V378-V387 HydrophobicContact CG1-CG2 4.1Å; L383-V387 PolarHBondContact O-N 2.95Å; L383-V387 VanDerWaalsContact O-N 3.11Å; I384-V387 PolarHBondContact O-N 3.18Å; V387-E390 PolarHBondContact O-N 3.21Å; V387-A391 WeakPolarHBondContact O-CB 3.38Å; V387-A391 PolarHBondContact O-N 3.19Å
388V92.5Very high88Confident1 Ų153.4 Ų53.41%0.00628%0.281CS..Hα-helixtrans-64-46.6175.5169.80000110.8L341 P344 L345 M348 L373 I384 E390 A391 V392L341-V388 HydrophobicContact CD2-CG2 3.8Å; P344-V388 HydrophobicContact CB-CB 4.39Å; P344-V388 HydrophobicContact CB-CG2 4.02Å; L345-V388 HydrophobicContact CD2-CG1 3.76Å; L345-V388 HydrophobicContact CD2-CG2 4.49Å; L345-V388 HydrophobicContact CG-CG1 4.46Å; M348-V388 HydrophobicContact CB-CG1 4.44Å; L373-V388 HydrophobicContact CD1-CB 4.41Å; L373-V388 HydrophobicContact CD1-CG2 3.75Å; I384-V388 HydrophobicContact CG2-CG2 4.26Å; I384-V388 WeakPolarHBondContact O-CB 3.24Å; I384-V388 VanDerWaalsContact O-CG2 3.31Å; I384-V388 WeakPolarHBondContact O-CG2 3.48Å; I384-V388 PolarHBondContact O-N 3.45Å; V388-E390 VanDerWaalsContact C-N 3.31Å; V388-E390 PolarHBondContact O-N 3.31Å; V388-A391 PolarHBondContact O-N 3.31Å; V388-V392 HydrophobicContact CG1-CG2 4.21Å; V388-V392 WeakPolarHBondContact O-CB 3.12Å; V388-V392 WeakPolarHBondContact O-CG2 3.3Å; V388-V392 PolarHBondContact O-N 2.78Å
389K93.4Very high88.1Confident55 Ų5554.6 Ų54.624%0.23929%0.287CS..Hα-helixtrans-57.4-43.9177.5-172.9174.2-172.6170.30111.8M348 T385 S386 V392 R393 L633M348-K389 HydrophobicContact CE-CB 4.04Å; M348-K389 HydrophobicContact CE-CG 4.24Å; T385-K389 VanDerWaalsContact O-CB 3.29Å; T385-K389 WeakPolarHBondContact O-CB 3.4Å; T385-K389 PolarHBondContact O-N 2.75Å; S386-K389 PolarHBondContact O-N 3.25Å; K389-V392 PolarHBondContact O-N 2.94Å; K389-R393 WeakPolarHBondContact O-CB 3.4Å; K389-R393 PolarHBondContact O-N 2.86Å; K389-L633 WeakPolarHBondContact CE-O 3.39Å; K389-L633 PolarHBondContact NZ-O 3.06Å
390E92.5Very high88.4Confident84 Ų8452.9 Ų52.939%0.39327%0.268SS..Hα-helixtrans-68.6-41.5178.1-168.755.9-147.800112.2S386 V387 V388 V392 R393 E394S386-E390 WeakPolarHBondContact O-CB 3.44Å; S386-E390 PolarHBondContact O-N 2.77Å; V387-E390 PolarHBondContact O-N 3.21Å; V388-E390 VanDerWaalsContact C-N 3.31Å; V388-E390 PolarHBondContact O-N 3.31Å; E390-V392 VanDerWaalsContact C-N 3.29Å; E390-V392 PolarHBondContact O-N 2.8Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 3.32Å; E390-R393 IonicContact OE2-CZ 2.61Å; E390-R393 IonicContact OE2-NH1 2.68Å; E390-R393 PolarHBondContact OE2-NH1 3.11Å; E390-E394 WeakPolarHBondContact O-CG 3.24Å; E390-E394 PolarHBondContact O-N 3.48Å
391A91.2Very high88.8Confident0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-63.8-36.1176.100000112.4V369 L373 V387 V388 C395V369-A391 HydrophobicContact CG1-CB 3.73Å; L373-A391 HydrophobicContact CD1-CB 3.8Å; L373-A391 HydrophobicContact CD2-CB 3.93Å; L373-A391 HydrophobicContact CG-CB 4Å; V387-A391 WeakPolarHBondContact O-CB 3.38Å; V387-A391 PolarHBondContact O-N 3.19Å; V388-A391 PolarHBondContact O-N 3.31Å; A391-C395 PolarHBondContact O-N 3.26Å; A391-C395 VanDerWaalsContact O-N 3.12Å; A391-C395 PolarHBondContact O-SG 2.84Å
392V93.4Very high88.3Confident0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-67.4-45.2174175.50000110.4M348 L352 L365 V369 V388 K389 E390 E394 C395 L396 L633M348-V392 HydrophobicContact CG-CG1 4.31Å; M348-V392 HydrophobicContact CG-CG2 3.75Å; M348-V392 HydrophobicContact SD-CG1 4.2Å; M348-V392 HydrophobicContact SD-CG2 4.32Å; L352-V392 HydrophobicContact CD1-CG1 4.35Å; L365-V392 HydrophobicContact CD2-CG1 4.11Å; V369-V392 HydrophobicContact CB-CG2 4.45Å; V369-V392 HydrophobicContact CG1-CG2 4.14Å; V369-V392 HydrophobicContact CG2-CG2 3.9Å; V388-V392 HydrophobicContact CG1-CG2 4.21Å; V388-V392 WeakPolarHBondContact O-CB 3.12Å; V388-V392 WeakPolarHBondContact O-CG2 3.3Å; V388-V392 PolarHBondContact O-N 2.78Å; K389-V392 PolarHBondContact O-N 2.94Å; E390-V392 VanDerWaalsContact C-N 3.29Å; E390-V392 PolarHBondContact O-N 2.8Å; V392-E394 PolarHBondContact O-N 2.94Å; V392-C395 PolarHBondContact O-N 3.05Å; V392-C395 VanDerWaalsContact O-N 3.15Å; V392-L396 HydrophobicContact CG1-CD1 3.81Å; V392-L396 HydrophobicContact CG1-CG 4.13Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.71Å; V392-L633 HydrophobicContact CG1-CD2 3.99Å
393R94.3Very high87.8Confident76 Ų7652.8 Ų52.829%0.28727%0.269SS..Hα-helixtrans-51.5-53.6173.2174.3174.8-72.6116.6-3.4111.1K389 E390 C395 L396 T397 V629 L633K389-R393 WeakPolarHBondContact O-CB 3.4Å; K389-R393 PolarHBondContact O-N 2.86Å; E390-R393 WeakPolarHBondContact O-CB 3.42Å; E390-R393 PolarHBondContact O-N 3.32Å; E390-R393 IonicContact OE2-CZ 2.61Å; E390-R393 IonicContact OE2-NH1 2.68Å; E390-R393 PolarHBondContact OE2-NH1 3.11Å; R393-C395 VanDerWaalsContact C-N 3.32Å; R393-C395 PolarHBondContact O-N 3.04Å; R393-L396 PolarHBondContact O-N 3.11Å; R393-T397 WeakPolarHBondContact O-CB 3.36Å; R393-T397 PolarHBondContact O-N 2.97Å; R393-T397 PolarHBondContact O-OG1 2.76Å; R393-V629 HydrophobicContact CB-CG1 4.17Å; R393-V629 HydrophobicContact CG-CG1 3.73Å; R393-L633 HydrophobicContact CB-CD1 3.54Å; R393-L633 HydrophobicContact CG-CD1 4.23Å
394E90Very high87Confident68 Ų6853.8 Ų53.832%0.31827%0.271SS..Hα-helixtrans-56-45.6177.8-71.6176.6-173.300112.1K372 E390 V392 Q398K372-E394 IonicContact NZ-OE2 3.9Å; K372-E394 PolarHBondContact NZ-OE2 3.01Å; E390-E394 WeakPolarHBondContact O-CG 3.24Å; E390-E394 PolarHBondContact O-N 3.48Å; V392-E394 PolarHBondContact O-N 2.94Å; E394-Q398 WeakPolarHBondContact O-CB 3.49Å; E394-Q398 VanDerWaalsContact O-CG 3.26Å; E394-Q398 WeakPolarHBondContact O-CG 3.46Å; E394-Q398 PolarHBondContact O-N 3.12Å
395C89.2Confident86.3Confident19 Ų1963 Ų6313%0.12830%0.304CS..Hα-helixtrans-66.3-42.7-179.3-66.40000112.1L365 V369 A391 V392 R393 Q398 L399L365-C395 HydrophobicContact CD1-CB 3.89Å; V369-C395 HydrophobicContact CG2-CB 4.36Å; A391-C395 PolarHBondContact O-N 3.26Å; A391-C395 VanDerWaalsContact O-N 3.12Å; A391-C395 PolarHBondContact O-SG 2.84Å; V392-C395 PolarHBondContact O-N 3.05Å; V392-C395 VanDerWaalsContact O-N 3.15Å; R393-C395 VanDerWaalsContact C-N 3.32Å; R393-C395 PolarHBondContact O-N 3.04Å; C395-Q398 PolarHBondContact O-N 3.44Å; C395-L399 VanDerWaalsContact O-CB 3.26Å; C395-L399 WeakPolarHBondContact O-CB 3.47Å; C395-L399 PolarHBondContact O-N 2.84Å
396L91.8Very high85.9Confident1 Ų161.2 Ų61.21%0.00529%0.291CS..Hα-helixtrans-65.3-43.2177.6-69.4174000111.6L352 L365 V392 R393 Q398 L399 L400 V598 V629 L632 L633L352-L396 HydrophobicContact CD2-CD1 4.28Å; L365-L396 HydrophobicContact CD1-CD2 4.33Å; L365-L396 HydrophobicContact CD2-CD2 3.51Å; L365-L396 HydrophobicContact CD2-CG 3.97Å; V392-L396 HydrophobicContact CG1-CD1 3.81Å; V392-L396 HydrophobicContact CG1-CG 4.13Å; V392-L396 WeakPolarHBondContact O-CG 3.33Å; V392-L396 PolarHBondContact O-N 2.71Å; R393-L396 PolarHBondContact O-N 3.11Å; L396-Q398 VanDerWaalsContact C-N 3.35Å; L396-Q398 PolarHBondContact O-N 3.19Å; L396-L399 PolarHBondContact O-N 3.05Å; L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 2.71Å; L396-V598 HydrophobicContact CD2-CG1 3.72Å; L396-V598 HydrophobicContact CD2-CG2 3.98Å; L396-V629 HydrophobicContact CB-CG1 4.29Å; L396-V629 HydrophobicContact CB-CG2 3.69Å; L396-V629 HydrophobicContact CD1-CG1 4.46Å; L396-L632 HydrophobicContact CD1-CB 4.44Å; L396-L632 HydrophobicContact CD1-CD1 4.21Å; L396-L633 HydrophobicContact CD1-CD2 4.38Å; L396-L633 HydrophobicContact CD1-CG 4.46Å
397T89.8Confident85.8Confident29 Ų2961.3 Ų61.318%0.17829%0.287CS..Hα-helixtrans-61.1-45176-58.90000110.8R393 L399 L400 L401R393-T397 WeakPolarHBondContact O-CB 3.36Å; R393-T397 PolarHBondContact O-N 2.97Å; R393-T397 PolarHBondContact O-OG1 2.76Å; T397-L399 VanDerWaalsContact C-N 3.29Å; T397-L399 PolarHBondContact O-N 3.31Å; T397-L400 PolarHBondContact O-N 3.32Å; T397-L401 HydrophobicContact CG2-CD1 3.97Å; T397-L401 HydrophobicContact CG2-CG 4.37Å; T397-L401 WeakPolarHBondContact O-CB 3.28Å; T397-L401 WeakPolarHBondContact O-CG 3.49Å; T397-L401 PolarHBondContact O-N 3.28Å
398Q86.3Confident85.8Confident131 Ų13160.6 Ų60.661%0.61228%0.282SS*.Hα-helixtrans-62-36.2176.5-75.9178.7-2.400113.2E394 C395 L396E394-Q398 WeakPolarHBondContact O-CB 3.49Å; E394-Q398 VanDerWaalsContact O-CG 3.26Å; E394-Q398 WeakPolarHBondContact O-CG 3.46Å; E394-Q398 PolarHBondContact O-N 3.12Å; C395-Q398 PolarHBondContact O-N 3.44Å; L396-Q398 VanDerWaalsContact C-N 3.35Å; L396-Q398 PolarHBondContact O-N 3.19Å
399L86.2Confident85.8Confident37 Ų3761.6 Ų61.619%0.19429%0.288CS..Hα-helixtrans-71.4-41.2-179.9-177.1166.5000111.8L365 C395 L396 T397 V598 T601 Y602L365-L399 HydrophobicContact CD1-CD1 4.26Å; C395-L399 VanDerWaalsContact O-CB 3.26Å; C395-L399 WeakPolarHBondContact O-CB 3.47Å; C395-L399 PolarHBondContact O-N 2.84Å; L396-L399 PolarHBondContact O-N 3.05Å; T397-L399 VanDerWaalsContact C-N 3.29Å; T397-L399 PolarHBondContact O-N 3.31Å; L399-V598 HydrophobicContact CD1-CG1 3.97Å; L399-V598 HydrophobicContact CD2-CG1 3.97Å; L399-T601 WeakPolarHBondContact CD2-OG1 3.39Å; L399-Y602 HydrophobicContact CD1-CD2 3.47Å; L399-Y602 VanDerWaalsContact CD1-CD2 3.47Å; L399-Y602 HydrophobicContact CD1-CE2 4.4Å; L399-Y602 HydrophobicContact CD1-CG 4.18Å; L399-Y602 HydrophobicContact CG-CD2 4.2Å
400L86.4Confident85.8Confident7 Ų767.1 Ų67.14%0.03731%0.307CS..Hα-helixtrans-79.3-19.7179.5-69.5172.7000113.3L396 T397 P402 V598 T601 L623 P625 V628 V629L396-L400 WeakPolarHBondContact O-CG 3.49Å; L396-L400 PolarHBondContact O-N 2.71Å; T397-L400 PolarHBondContact O-N 3.32Å; L400-P402 WeakPolarHBondContact O-CD 3.5Å; L400-V598 HydrophobicContact CD1-CG2 4.19Å; L400-V598 HydrophobicContact CD2-CG2 4.14Å; L400-V598 HydrophobicContact CG-CG2 4.33Å; L400-T601 HydrophobicContact CD2-CG2 4.18Å; L400-L623 HydrophobicContact CD2-CD2 4.22Å; L400-P625 HydrophobicContact CB-CB 3.88Å; L400-P625 HydrophobicContact CB-CG 4.3Å; L400-V628 HydrophobicContact CD1-CB 3.89Å; L400-V628 HydrophobicContact CD1-CG1 3.63Å; L400-V629 HydrophobicContact CD1-CG2 3.88Å
401L82.1Confident85.9Confident90 Ų9065.4 Ų65.447%0.47130%0.3SS..SBendtrans-69.4122.7175.6-81.3169.2000111.1T397 K403 P625T397-L401 HydrophobicContact CG2-CD1 3.97Å; T397-L401 HydrophobicContact CG2-CG 4.37Å; T397-L401 WeakPolarHBondContact O-CB 3.28Å; T397-L401 WeakPolarHBondContact O-CG 3.49Å; T397-L401 PolarHBondContact O-N 3.28Å; L401-K403 PolarHBondContact O-N 3.36Å; L401-P625 HydrophobicContact CD2-CG 4.22Å
402P69Low86Confident53 Ų5365.4 Ų65.434%0.34430%0.3SS..  trans-59.9123.7177.7-22.131.5000111.8L400 Q404 R405 P607L400-P402 WeakPolarHBondContact O-CD 3.5Å; P402-Q404 VanDerWaalsContact CB-O 3.26Å; P402-Q404 WeakPolarHBondContact CB-O 3.27Å; P402-R405 HydrophobicContact CB-CG 4.45Å; P402-P607 HydrophobicContact CB-CB 3.8Å; P402-P607 HydrophobicContact CG-CB 3.91Å
403K69.1Low86.1Confident162 Ų16271.3 Ų71.370%0.70433%0.329SS*.SBendtrans-65.5-32.9163.3-67.7-175.5-178.5177.60111.3L401L401-K403 PolarHBondContact O-N 3.36Å
404Q68.9Low86.1Confident128 Ų12872.1 Ų72.160%0.59834%0.336SS*.SBendtrans-119.1115.1175.2-68.8179.1-2000108P402 I406P402-Q404 VanDerWaalsContact CB-O 3.26Å; P402-Q404 WeakPolarHBondContact CB-O 3.27Å; Q404-I406 PolarHBondContact O-N 2.84Å
405R74.7Confident86.2Confident223 Ų22369.1 Ų69.184%0.84232%0.324SS*.  trans-79119.3173.1-66.5-173.2-179.3-166.9-0.3108.3P402P402-R405 HydrophobicContact CB-CG 4.45Å
406I82.1Confident86.3Confident43 Ų4373.1 Ų73.122%0.22134%0.339CS..  trans-90.6111.7170.6-62.2175.7000106.5Q404 L542 D580 P607 V609Q404-I406 PolarHBondContact O-N 2.84Å; I406-L542 HydrophobicContact CD1-CD1 3.92Å; I406-L542 HydrophobicContact CG2-CD1 4.3Å; I406-L542 HydrophobicContact CG2-CD2 4.48Å; I406-D580 WeakPolarHBondContact CD1-O 3.3Å; I406-P607 HydrophobicContact CD1-CG 3.78Å; I406-P607 HydrophobicContact CG1-CG 4.17Å; I406-V609 HydrophobicContact CB-CG2 4.39Å; I406-V609 HydrophobicContact CD1-CG2 3.79Å; I406-V609 HydrophobicContact CG2-CG1 4.27Å
407N87.6Confident86.3Confident61 Ų6181 Ų8133%0.32638%0.376SS..  trans-109.989.8171.8-173.8-38.6000107.9L409 R410 D411N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 2.84Å; N407-L409 PolarHBondContact OD1-N 3.21Å; N407-R410 HydrophobicContact CB-CB 4.08Å; N407-R410 PolarHBondContact O-N 2.9Å; N407-R410 VanDerWaalsContact O-N 3.14Å; N407-R410 PolarHBondContact OD1-N 3.36Å; N407-R410 VanDerWaalsContact OD1-N 3.12Å; N407-D411 VanDerWaalsContact O-CG 3.22Å; N407-D411 PolarHBondContact O-N 3.29Å
408L91.4Very high86.5Confident5 Ų585.8 Ų85.83%0.02640%0.396CS..Hα-helixtrans-58.1-39.1-172.1-176.553.6000112.4D411 I412 Y422 W444 L542 F610L408-D411 PolarHBondContact O-N 2.94Å; L408-I412 HydrophobicContact CD1-CD1 3.83Å; L408-I412 HydrophobicContact CD1-CG1 4.02Å; L408-I412 HydrophobicContact CG-CD1 3.75Å; L408-I412 HydrophobicContact CG-CG1 4.42Å; L408-I412 WeakPolarHBondContact O-CB 3.42Å; L408-I412 WeakPolarHBondContact O-CD1 3.29Å; L408-I412 WeakPolarHBondContact O-CG1 3.44Å; L408-I412 PolarHBondContact O-N 2.85Å; L408-Y422 HydrophobicContact CD1-CD1 3.91Å; L408-Y422 HydrophobicContact CD1-CE1 3.23Å; L408-W444 HydrophobicContact CB-CH2 4.34Å; L408-W444 HydrophobicContact CB-CZ3 4.4Å; L408-W444 HydrophobicContact CD2-CZ3 4.04Å; L408-W444 HydrophobicContact CG-CZ3 4.39Å; L408-L542 HydrophobicContact CD1-CD2 4.21Å; L408-F610 HydrophobicContact CD2-CE2 3.94Å; L408-F610 HydrophobicContact CD2-CZ 3.91Å
409L93Very high86.6Confident22 Ų2288.2 Ų88.212%0.11540%0.404CS..Hα-helixtrans-63-45.3178.5-58.9178.2000111.6N407 I412 M413 W444 L445 N448 F450N407-L409 VanDerWaalsContact C-N 3.28Å; N407-L409 PolarHBondContact O-N 2.84Å; N407-L409 PolarHBondContact OD1-N 3.21Å; L409-I412 PolarHBondContact O-N 2.96Å; L409-M413 VanDerWaalsContact O-CG 3.31Å; L409-M413 WeakPolarHBondContact O-CG 3.05Å; L409-M413 PolarHBondContact O-N 2.8Å; L409-W444 HydrophobicContact CD1-CH2 4.25Å; L409-W444 HydrophobicContact CD1-CZ2 3.7Å; L409-W444 HydrophobicContact CD2-CH2 3.54Å; L409-W444 HydrophobicContact CD2-CZ2 3.6Å; L409-W444 HydrophobicContact CD2-CZ3 4.04Å; L409-W444 HydrophobicContact CG-CH2 3.59Å; L409-W444 HydrophobicContact CG-CZ2 3.58Å; L409-L445 HydrophobicContact CD2-CD2 4.11Å; L409-N448 HydrophobicContact CD2-CB 3.95Å; L409-F450 HydrophobicContact CD2-CD2 4.27Å; L409-F450 HydrophobicContact CD2-CE2 3.72Å
410R92.6Very high86.9Confident171 Ų17190 Ų9065%0.64541%0.411SS*.Hα-helixtrans-62.3-44.5177-180-176.8175.4177.3-0.4111.5N407 I412 M413 Q414N407-R410 HydrophobicContact CB-CB 4.08Å; N407-R410 PolarHBondContact O-N 2.9Å; N407-R410 VanDerWaalsContact O-N 3.14Å; N407-R410 PolarHBondContact OD1-N 3.36Å; N407-R410 VanDerWaalsContact OD1-N 3.12Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 2.7Å; R410-M413 PolarHBondContact O-N 2.79Å; R410-Q414 PolarHBondContact O-N 2.9Å
411D93.9Very high87.2Confident48 Ų4889.8 Ų89.826%0.25741%0.411SS..Hα-helixtrans-65.9-38.7-177.2-61.5-18.4000111N407 L408 Q414 A415 Y422N407-D411 VanDerWaalsContact O-CG 3.22Å; N407-D411 PolarHBondContact O-N 3.29Å; L408-D411 PolarHBondContact O-N 2.94Å; D411-Q414 PolarHBondContact O-N 2.77Å; D411-A415 WeakPolarHBondContact O-CB 3.44Å; D411-A415 PolarHBondContact O-N 2.97Å; D411-Y422 HydrophobicContact CB-CD2 4.37Å; D411-Y422 HydrophobicContact CB-CE2 3.57Å
412I95Very high87.9Confident0 Ų086.1 Ų86.10%039%0.39CS..Hα-helixtrans-64.4-43.4173.1-65.7161.5000111.1L408 L409 R410 Q414 A415 K416 Y422 L445 F450 D511 V512L408-I412 HydrophobicContact CD1-CD1 3.83Å; L408-I412 HydrophobicContact CD1-CG1 4.02Å; L408-I412 HydrophobicContact CG-CD1 3.75Å; L408-I412 HydrophobicContact CG-CG1 4.42Å; L408-I412 WeakPolarHBondContact O-CB 3.42Å; L408-I412 WeakPolarHBondContact O-CD1 3.29Å; L408-I412 WeakPolarHBondContact O-CG1 3.44Å; L408-I412 PolarHBondContact O-N 2.85Å; L409-I412 PolarHBondContact O-N 2.96Å; R410-I412 VanDerWaalsContact C-N 3.33Å; R410-I412 PolarHBondContact O-N 2.7Å; I412-Q414 VanDerWaalsContact C-N 3.31Å; I412-Q414 PolarHBondContact O-N 3.41Å; I412-A415 PolarHBondContact O-N 3.12Å; I412-K416 WeakPolarHBondContact O-CB 3.22Å; I412-K416 PolarHBondContact O-N 2.79Å; I412-Y422 HydrophobicContact CG1-CD1 3.84Å; I412-Y422 HydrophobicContact CG1-CD2 4.29Å; I412-Y422 HydrophobicContact CG1-CE1 4.45Å; I412-Y422 HydrophobicContact CG1-CG 3.73Å; I412-L445 HydrophobicContact CD1-CD1 4.47Å; I412-L445 HydrophobicContact CD1-CD2 3.47Å; I412-L445 VanDerWaalsContact CD1-CD2 3.47Å; I412-F450 HydrophobicContact CB-CE1 4.28Å; I412-F450 HydrophobicContact CB-CZ 4.38Å; I412-F450 HydrophobicContact CG2-CD1 3.51Å; I412-F450 HydrophobicContact CG2-CE1 3.47Å; I412-F450 VanDerWaalsContact CG2-CE1 3.47Å; I412-F450 HydrophobicContact CG2-CG 4.08Å; I412-F450 HydrophobicContact CG2-CZ 4.02Å; I412-D511 HydrophobicContact CG2-CB 4.39Å; I412-V512 HydrophobicContact CB-CG2 4.42Å; I412-V512 HydrophobicContact CD1-CG2 3.65Å; I412-V512 HydrophobicContact CG1-CG2 3.87Å; I412-V512 HydrophobicContact CG2-CG2 3.61Å
413M93.8Very high89.3Confident123 Ų12383.7 Ų83.761%0.60638%0.375SS*.Hα-helixtrans-60.5-41.6176.7-71.717971.400111.9L409 R410 K416 E417 F450L409-M413 VanDerWaalsContact O-CG 3.31Å; L409-M413 WeakPolarHBondContact O-CG 3.05Å; L409-M413 PolarHBondContact O-N 2.8Å; R410-M413 PolarHBondContact O-N 2.79Å; M413-K416 PolarHBondContact O-N 2.8Å; M413-E417 PolarHBondContact O-N 3.06Å; M413-F450 HydrophobicContact CG-CE1 4.16Å; M413-F450 HydrophobicContact CG-CZ 3.82Å
414Q94.3Very high90.7Very high93 Ų9376 Ų7644%0.43534%0.341SS..Hα-helixtrans-67-42.8177.3-175.6176-4.300111.9R410 D411 I412 K416 E417 Q418R410-Q414 PolarHBondContact O-N 2.9Å; D411-Q414 PolarHBondContact O-N 2.77Å; I412-Q414 VanDerWaalsContact C-N 3.31Å; I412-Q414 PolarHBondContact O-N 3.41Å; Q414-K416 VanDerWaalsContact C-N 3.32Å; Q414-K416 PolarHBondContact O-N 2.99Å; Q414-E417 PolarHBondContact O-N 2.78Å; Q414-Q418 WeakPolarHBondContact O-CG 3.2Å; Q414-Q418 PolarHBondContact O-N 3.35Å
415A93.8Very high92Very high6 Ų669.9 Ų69.95%0.0531%0.313CS..Hα-helixtrans-60.5-43174.400000111.5D411 I412 E417 Q418 K419 H420 Y422D411-A415 WeakPolarHBondContact O-CB 3.44Å; D411-A415 PolarHBondContact O-N 2.97Å; I412-A415 PolarHBondContact O-N 3.12Å; A415-E417 VanDerWaalsContact C-N 3.35Å; A415-E417 PolarHBondContact O-N 3.47Å; A415-Q418 CarbonylContact O-C 3.46Å; A415-Q418 WeakPolarHBondContact O-CA 3.41Å; A415-Q418 WeakPolarHBondContact O-CB 3.43Å; A415-Q418 PolarHBondContact O-N 2.76Å; A415-K419 PolarHBondContact O-N 3.44Å; A415-H420 CarbonylContact C-O 3.56Å; A415-H420 VanDerWaalsContact C-O 3.31Å; A415-H420 HydrophobicContact CB-CB 4.36Å; A415-H420 PolarHBondContact O-N 3.25Å; A415-H420 VanDerWaalsContact O-O 3.1Å; A415-Y422 HydrophobicContact CB-CD2 3.94Å
416K91.2Very high93.1Very high102 Ų10259.3 Ų59.344%0.44327%0.273SS..Hα-helixtrans-59.7-41.9176.4-175.8175.7-174.8147.60112.5I412 M413 Q414 Q418 K419 D511I412-K416 WeakPolarHBondContact O-CB 3.22Å; I412-K416 PolarHBondContact O-N 2.79Å; M413-K416 PolarHBondContact O-N 2.8Å; Q414-K416 VanDerWaalsContact C-N 3.32Å; Q414-K416 PolarHBondContact O-N 2.99Å; K416-Q418 PolarHBondContact O-N 2.97Å; K416-K419 PolarHBondContact O-N 3.24Å; K416-D511 VanDerWaalsContact CD-OD1 3.23Å; K416-D511 WeakPolarHBondContact CD-OD1 3.23Å; K416-D511 WeakPolarHBondContact CE-OD1 3.41Å; K416-D511 IonicContact NZ-OD1 3.5Å; K416-D511 PolarHBondContact NZ-OD1 3.4Å; K416-D511 IonicContact NZ-OD2 2.82Å; K416-D511 PolarHBondContact NZ-OD2 3.13Å
417E92.1Very high93.7Very high168 Ų16857.2 Ų57.279%0.78526%0.262SS*.Hα-helixtrans-61.3-35.4174.7-172.9174.3-166.100112M413 Q414 A415 K419M413-E417 PolarHBondContact O-N 3.06Å; Q414-E417 PolarHBondContact O-N 2.78Å; A415-E417 VanDerWaalsContact C-N 3.35Å; A415-E417 PolarHBondContact O-N 3.47Å; E417-K419 PolarHBondContact O-N 3.06Å
418Q92.2Very high94.1Very high129 Ų12954.3 Ų54.360%0.60325%0.247SC*.THydrogen-bonded Turntrans-80.34.8176.3-64174.48.900113.7Q414 A415 K416 H420Q414-Q418 WeakPolarHBondContact O-CG 3.2Å; Q414-Q418 PolarHBondContact O-N 3.35Å; A415-Q418 CarbonylContact O-C 3.46Å; A415-Q418 WeakPolarHBondContact O-CA 3.41Å; A415-Q418 WeakPolarHBondContact O-CB 3.43Å; A415-Q418 PolarHBondContact O-N 2.76Å; K416-Q418 PolarHBondContact O-N 2.97Å; Q418-H420 HydrophobicContact CB-CB 4.41Å; Q418-H420 PolarHBondContact O-N 3.47Å
419K89.6Confident94.2Very high181 Ų18154.7 Ų54.779%0.78725%0.249SC*.THydrogen-bonded Turntrans54.430.7-172.2-55.9-179.7-179.21770112.7A415 K416 E417 L506A415-K419 PolarHBondContact O-N 3.44Å; K416-K419 PolarHBondContact O-N 3.24Å; E417-K419 PolarHBondContact O-N 3.06Å; K419-L506 WeakPolarHBondContact O-CD1 3.4Å
420H91.7Very high94.2Very high74 Ų7458 Ų5834%0.34327%0.267SS..PPolyproline II helixtrans-102.7144.7175.3179.356.7000109.4A415 Q418 D541A415-H420 CarbonylContact C-O 3.56Å; A415-H420 VanDerWaalsContact C-O 3.31Å; A415-H420 HydrophobicContact CB-CB 4.36Å; A415-H420 PolarHBondContact O-N 3.25Å; A415-H420 VanDerWaalsContact O-O 3.1Å; Q418-H420 HydrophobicContact CB-CB 4.41Å; Q418-H420 PolarHBondContact O-N 3.47Å; H420-D541 IonicContact CD2-OD1 3.2Å; H420-D541 PolarHBondContact CD2-OD1 3.03Å; H420-D541 IonicContact CD2-OD2 3.34Å; H420-D541 IonicContact CE1-OD2 3.32Å; H420-D541 VanDerWaalsContact NE2-CG 3.29Å; H420-D541 IonicContact NE2-OD1 2.7Å; H420-D541 PolarHBondContact NE2-OD1 3.29Å; H420-D541 IonicContact NE2-OD2 2.89Å; H420-D541 PolarHBondContact NE2-OD2 3.18Å
421C93.7Very high94.1Very high3 Ų352.5 Ų52.52%0.0226%0.264CS..PPolyproline II helixtrans-96.5117.5177.8-169.10000108.8S423 F510 V513C421-S423 PolarHBondContact O-N 3.11Å; C421-F510 PolarHBondContact SG-O 3.23Å; C421-V513 VanDerWaalsContact SG-CG2 3.59Å
422Y97.5Very high94.1Very high13 Ų1350.2 Ų50.25%0.05125%0.252CS..EExtended strand (participates in β ladder)trans-71.1121.3-173.9-165.7-86.2000110.7L408 D411 I412 A415 V424 D511 V512 V513 D541 L542L408-Y422 HydrophobicContact CD1-CD1 3.91Å; L408-Y422 HydrophobicContact CD1-CE1 3.23Å; D411-Y422 HydrophobicContact CB-CD2 4.37Å; D411-Y422 HydrophobicContact CB-CE2 3.57Å; I412-Y422 HydrophobicContact CG1-CD1 3.84Å; I412-Y422 HydrophobicContact CG1-CD2 4.29Å; I412-Y422 HydrophobicContact CG1-CE1 4.45Å; I412-Y422 HydrophobicContact CG1-CG 3.73Å; A415-Y422 HydrophobicContact CB-CD2 3.94Å; Y422-V424 HydrophobicContact CD1-CG2 3.72Å; Y422-V424 HydrophobicContact CE1-CG2 3.63Å; Y422-D511 PolarHBondContact N-O 3.28Å; Y422-V512 CarbonylContact O-C 3.21Å; Y422-V512 VanDerWaalsContact O-CA 3.24Å; Y422-V512 WeakPolarHBondContact O-CA 3.44Å; Y422-V512 WeakPolarHBondContact O-CG1 3.45Å; Y422-V513 PolarHBondContact O-N 3.2Å; Y422-D541 WeakPolarHBondContact CA-OD2 3.37Å; Y422-D541 HydrophobicContact CD1-CB 4.02Å; Y422-D541 HydrophobicContact CD2-CB 3.58Å; Y422-D541 HydrophobicContact CE1-CB 3.83Å; Y422-D541 HydrophobicContact CE2-CB 3.38Å; Y422-D541 HydrophobicContact CG-CB 3.91Å; Y422-L542 HydrophobicContact CE1-CB 4.02Å
423S97.3Very high94.1Very high2 Ų251.2 Ų51.21%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-111.5127.1-171.156.80000112.1C421 V513 P540 D541 L542C421-S423 PolarHBondContact O-N 3.11Å; S423-V513 CarbonylContact C-O 3.57Å; S423-V513 WeakPolarHBondContact CA-O 3.32Å; S423-P540 WeakPolarHBondContact OG-CA 3.43Å; S423-D541 PolarHBondContact N-OD2 3.39Å; S423-D541 WeakPolarHBondContact O-CA 3.42Å; S423-D541 PolarHBondContact O-N 3.4Å; S423-D541 PolarHBondContact OG-N 3.22Å; S423-D541 PolarHBondContact OG-OD2 2.94Å; S423-L542 PolarHBondContact O-N 3.04Å
424V97.8Very high94.3Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-121.7125.4-178.2-171.80000110.2Y422 F426 V513 L514 I515 L542 L544Y422-V424 HydrophobicContact CD1-CG2 3.72Å; Y422-V424 HydrophobicContact CE1-CG2 3.63Å; V424-F426 HydrophobicContact CB-CE2 4.08Å; V424-F426 HydrophobicContact CG1-CD2 4.27Å; V424-F426 HydrophobicContact CG1-CE2 3.65Å; V424-F426 HydrophobicContact CG1-CZ 3.92Å; V424-V513 PolarHBondContact N-O 3.04Å; V424-L514 HydrophobicContact CB-CD2 3.69Å; V424-L514 HydrophobicContact CG2-CD2 3.78Å; V424-I515 PolarHBondContact O-N 3.49Å; V424-L542 CarbonylContact C-O 3.5Å; V424-L542 WeakPolarHBondContact CA-O 3.45Å; V424-L542 HydrophobicContact CG1-CB 4.2Å; V424-L542 HydrophobicContact CG1-CD2 4.09Å; V424-L542 HydrophobicContact CG1-CG 4.32Å; V424-L542 HydrophobicContact CG2-CB 4.24Å; V424-L542 HydrophobicContact CG2-CD2 4.49Å; V424-L544 HydrophobicContact CG1-CD1 3.94Å; V424-L544 HydrophobicContact CG1-CG 4.17Å
425V97.3Very high94.4Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-101.5127.3175.71740000110.3I515 T517 L534 I535 P540 L542 L544V425-I515 HydrophobicContact CG2-CB 4.1Å; V425-I515 HydrophobicContact CG2-CD1 3.75Å; V425-I515 HydrophobicContact CG2-CG1 4.46Å; V425-I515 HydrophobicContact CG2-CG2 4.41Å; V425-T517 HydrophobicContact CG1-CG2 3.88Å; V425-L534 HydrophobicContact CG1-CD2 4.19Å; V425-L534 HydrophobicContact CG2-CD2 3.85Å; V425-I535 HydrophobicContact CG1-CD1 4.49Å; V425-I535 HydrophobicContact CG1-CG1 4.34Å; V425-P540 HydrophobicContact CB-CG 4.49Å; V425-P540 HydrophobicContact CG2-CB 3.79Å; V425-P540 HydrophobicContact CG2-CG 3.75Å; V425-L542 PolarHBondContact N-O 2.74Å; V425-L544 PolarHBondContact O-N 2.88Å
426F97.6Very high94.5Very high1 Ų142.5 Ų42.50%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-100.7114.7173.5-66.4-97000109.8V424 L438 I441 L514 I515 T517 L544 V546 M583V424-F426 HydrophobicContact CB-CE2 4.08Å; V424-F426 HydrophobicContact CG1-CD2 4.27Å; V424-F426 HydrophobicContact CG1-CE2 3.65Å; V424-F426 HydrophobicContact CG1-CZ 3.92Å; F426-L438 HydrophobicContact CD2-CB 4.39Å; F426-L438 HydrophobicContact CD2-CD1 3.59Å; F426-L438 HydrophobicContact CD2-CG 4.09Å; F426-L438 HydrophobicContact CE2-CB 4.35Å; F426-L438 HydrophobicContact CE2-CD1 3.92Å; F426-L438 HydrophobicContact CE2-CG 3.94Å; F426-L438 HydrophobicContact CG-CB 4.5Å; F426-L438 HydrophobicContact CG-CD1 4.2Å; F426-L438 HydrophobicContact CZ-CB 4.43Å; F426-L438 HydrophobicContact CZ-CG 4.41Å; F426-I441 HydrophobicContact CE1-CD1 3.47Å; F426-I441 VanDerWaalsContact CE1-CD1 3.47Å; F426-I441 HydrophobicContact CZ-CD1 3.57Å; F426-L514 HydrophobicContact CE2-CB 4.05Å; F426-L514 HydrophobicContact CE2-CD2 4.03Å; F426-L514 HydrophobicContact CE2-CG 4.42Å; F426-L514 HydrophobicContact CZ-CD2 4.49Å; F426-I515 PolarHBondContact N-O 3.41Å; F426-T517 WeakPolarHBondContact O-CB 3.49Å; F426-T517 WeakPolarHBondContact O-CG2 3.45Å; F426-T517 PolarHBondContact O-N 3.13Å; F426-T517 PolarHBondContact O-OG1 3.18Å; F426-L544 HydrophobicContact CD1-CB 4.49Å; F426-L544 HydrophobicContact CE1-CD1 3.89Å; F426-L544 HydrophobicContact CZ-CD1 4.19Å; F426-V546 HydrophobicContact CB-CG2 4.31Å; F426-V546 HydrophobicContact CD1-CG2 3.91Å; F426-M583 HydrophobicContact CE1-SD 4.2Å
427C95.1Very high94.9Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-127.8155.9179.469.70000111.2L531 L544 F545 V546 F562C427-L531 HydrophobicContact CB-CD1 4Å; C427-L531 HydrophobicContact CB-CD2 3.81Å; C427-L544 PolarHBondContact N-O 2.9Å; C427-L544 PolarHBondContact SG-O 2.61Å; C427-L544 VanDerWaalsContact SG-O 3.39Å; C427-F545 CarbonylContact O-C 3.57Å; C427-F545 WeakPolarHBondContact O-CA 3.48Å; C427-V546 PolarHBondContact O-N 2.93Å; C427-F562 HydrophobicContact CB-CE1 4.35Å
428G94.7Very high95.1Very high0 Ų030 Ų300%016%0.163CC..  trans158.9177.5-178.100000111.9R520G428-R520 PolarHBondContact O-N 2.79Å
429V93.6Very high95.4Very high13 Ų1323.9 Ų23.98%0.07914%0.135CC..SBendtrans-71.1179.4-178.5-56.40000112.5V432 K434 R520 Q558 F562V429-V432 HydrophobicContact CB-CG1 4.35Å; V429-V432 HydrophobicContact CG2-CG1 3.26Å; V429-V432 WeakPolarHBondContact O-CG2 3.28Å; V429-K434 PolarHBondContact O-NZ 3.19Å; V429-R520 WeakPolarHBondContact CA-O 3.33Å; V429-Q558 HydrophobicContact CG1-CG 3.92Å; V429-F562 HydrophobicContact CG1-CE2 4.04Å; V429-F562 HydrophobicContact CG1-CZ 4.44Å
430N92.7Very high95.7Very high91 Ų9115.3 Ų15.349%0.48710%0.098SC..THydrogen-bonded Turntrans-69.5143.1179.6-68.1-28.8000110.9V432 G519 R520N430-V432 VanDerWaalsContact C-N 3.26Å; N430-V432 PolarHBondContact O-N 3.12Å; N430-G519 WeakPolarHBondContact OD1-CA 3.44Å; N430-G519 PolarHBondContact OD1-O 2.85Å; N430-G519 VanDerWaalsContact OD1-O 3.05Å; N430-R520 PolarHBondContact OD1-N 2.88Å
431G92.4Very high96Very high56 Ų5611.8 Ų11.858%0.5778%0.081SC*.THydrogen-bonded Turntrans78.5-617100000117.1G433 E548 K586G431-G433 PolarHBondContact O-N 3.1Å; G431-E548 VanDerWaalsContact O-OE1 3.06Å; G431-K586 PolarHBondContact O-NZ 3.16Å
432V94Very high96.2Very high0 Ų011.6 Ų11.60%08%0.08CC..SBendtrans-70.81.8-177.1-50.80000116.3V429 N430 K434 V546 E548 T585V429-V432 HydrophobicContact CB-CG1 4.35Å; V429-V432 HydrophobicContact CG2-CG1 3.26Å; V429-V432 WeakPolarHBondContact O-CG2 3.28Å; N430-V432 VanDerWaalsContact C-N 3.26Å; N430-V432 PolarHBondContact O-N 3.12Å; V432-K434 HydrophobicContact CG2-CD 4.43Å; V432-K434 HydrophobicContact CG2-CG 3.75Å; V432-V546 HydrophobicContact CB-CG1 4.37Å; V432-V546 HydrophobicContact CG2-CB 3.96Å; V432-V546 HydrophobicContact CG2-CG1 3.83Å; V432-V546 WeakPolarHBondContact CG2-O 3.39Å; V432-E548 WeakPolarHBondContact CA-OE1 3.48Å; V432-E548 HydrophobicContact CB-CG 3.75Å; V432-E548 HydrophobicContact CG1-CG 3.79Å; V432-E548 PolarHBondContact N-OE1 3.36Å; V432-T585 WeakPolarHBondContact O-CB 3.3Å; V432-T585 WeakPolarHBondContact O-CG2 3.25Å; V432-T585 PolarHBondContact O-OG1 2.69Å
433G94.9Very high96.1Very high20 Ų2011 Ų1121%0.2068%0.078CC..  trans80.128.4177.700000115.9G431 N437G431-G433 PolarHBondContact O-N 3.1Å; G433-N437 VanDerWaalsContact O-CB 3.3Å; G433-N437 WeakPolarHBondContact O-CB 3.47Å; G433-N437 PolarHBondContact O-N 3.34Å; G433-N437 PolarHBondContact O-ND2 3.33Å
434K97Very high96.1Very high14 Ų1411.4 Ų11.46%0.0618%0.079CC..Hα-helixtrans-50.5-60.2175.6-67.1-177.2-62.2-61.20113V429 V432 T436 N437 L438 T517 V546V429-K434 PolarHBondContact O-NZ 3.19Å; V432-K434 HydrophobicContact CG2-CD 4.43Å; V432-K434 HydrophobicContact CG2-CG 3.75Å; K434-T436 PolarHBondContact O-N 3.32Å; K434-N437 PolarHBondContact O-N 3.24Å; K434-L438 WeakPolarHBondContact O-CB 3.36Å; K434-L438 PolarHBondContact O-N 3.36Å; K434-T517 WeakPolarHBondContact CE-O 3.28Å; K434-V546 HydrophobicContact CG-CB 3.89Å; K434-V546 HydrophobicContact CG-CG1 4.27Å; K434-V546 HydrophobicContact CG-CG2 3.95Å
435S96.7Very high96Very high5 Ų511.4 Ų11.44%0.0358%0.079CC..Hα-helixtrans-61.8-43-176.4-42.80000112.6L438 A439 R461 D516S435-L438 PolarHBondContact O-N 2.95Å; S435-A439 PolarHBondContact O-N 3.35Å; S435-A439 VanDerWaalsContact O-N 3.14Å; S435-R461 PolarHBondContact OG-NH2 3.23Å; S435-D516 VanDerWaalsContact CB-OD2 3.3Å; S435-D516 WeakPolarHBondContact CB-OD2 3.41Å; S435-D516 PolarHBondContact OG-OD2 3.21Å
436T96.7Very high96Very high21 Ų2111.7 Ų11.713%0.1298%0.08CC..Hα-helixtrans-63.2-48.3178.7-510000111.2K434 A439 K440K434-T436 PolarHBondContact O-N 3.32Å; T436-A439 WeakPolarHBondContact O-CB 3.48Å; T436-A439 PolarHBondContact O-N 3.35Å; T436-A439 VanDerWaalsContact O-N 3.14Å; T436-K440 WeakPolarHBondContact O-CG 3.19Å; T436-K440 PolarHBondContact O-N 3.21Å; T436-K440 VanDerWaalsContact O-N 3.11Å
437N97.6Very high95.8Very high7 Ų712.2 Ų12.24%0.0378%0.083CC..Hα-helixtrans-72.9-28.9-177.6-77.9-75.1000113G433 K434 A439 K440 I441 M583 T585G433-N437 VanDerWaalsContact O-CB 3.3Å; G433-N437 WeakPolarHBondContact O-CB 3.47Å; G433-N437 PolarHBondContact O-N 3.34Å; G433-N437 PolarHBondContact O-ND2 3.33Å; K434-N437 PolarHBondContact O-N 3.24Å; N437-A439 VanDerWaalsContact C-N 3.29Å; N437-A439 PolarHBondContact O-N 3.42Å; N437-K440 WeakPolarHBondContact O-CB 3.47Å; N437-K440 PolarHBondContact O-N 3.28Å; N437-K440 PolarHBondContact OD1-NZ 3.03Å; N437-I441 PolarHBondContact O-N 3.45Å; N437-M583 HydrophobicContact CB-CE 3.43Å; N437-M583 VanDerWaalsContact CB-CE 3.43Å; N437-M583 HydrophobicContact CB-SD 3.6Å; N437-M583 VanDerWaalsContact CB-SD 3.6Å; N437-T585 WeakPolarHBondContact ND2-CG2 3.37Å
438L98Very high95.7Very high0 Ų014.1 Ų14.10%09%0.093CC..Hα-helixtrans-59.5-41.9167.2-177158.5000111F426 K434 S435 I441 T442 I454 L514 D516F426-L438 HydrophobicContact CD2-CB 4.39Å; F426-L438 HydrophobicContact CD2-CD1 3.59Å; F426-L438 HydrophobicContact CD2-CG 4.09Å; F426-L438 HydrophobicContact CE2-CB 4.35Å; F426-L438 HydrophobicContact CE2-CD1 3.92Å; F426-L438 HydrophobicContact CE2-CG 3.94Å; F426-L438 HydrophobicContact CG-CB 4.5Å; F426-L438 HydrophobicContact CG-CD1 4.2Å; F426-L438 HydrophobicContact CZ-CB 4.43Å; F426-L438 HydrophobicContact CZ-CG 4.41Å; K434-L438 WeakPolarHBondContact O-CB 3.36Å; K434-L438 PolarHBondContact O-N 3.36Å; S435-L438 PolarHBondContact O-N 2.95Å; L438-I441 PolarHBondContact O-N 2.96Å; L438-T442 PolarHBondContact O-N 2.91Å; L438-T442 PolarHBondContact O-OG1 2.91Å; L438-I454 HydrophobicContact CD2-CB 4.44Å; L438-I454 HydrophobicContact CD2-CD1 3.96Å; L438-I454 HydrophobicContact CD2-CG1 3.92Å; L438-I454 HydrophobicContact CD2-CG2 3.81Å; L438-L514 HydrophobicContact CD1-CB 3.93Å; L438-L514 HydrophobicContact CD2-CB 4Å; L438-L514 HydrophobicContact CD2-CD1 4.14Å; L438-L514 HydrophobicContact CG-CB 3.83Å; L438-L514 HydrophobicContact CG-CD1 4.09Å; L438-D516 HydrophobicContact CD1-CB 3.71Å
439A97.5Very high95.7Very high0 Ų015.9 Ų15.90%011%0.111CC..Hα-helixtrans-65-38.1175.500000112.2S435 T436 N437 T442 F443 H471 L475 Y617S435-A439 PolarHBondContact O-N 3.35Å; S435-A439 VanDerWaalsContact O-N 3.14Å; T436-A439 WeakPolarHBondContact O-CB 3.48Å; T436-A439 PolarHBondContact O-N 3.35Å; T436-A439 VanDerWaalsContact O-N 3.14Å; N437-A439 VanDerWaalsContact C-N 3.29Å; N437-A439 PolarHBondContact O-N 3.42Å; A439-T442 WeakPolarHBondContact O-CB 3.33Å; A439-T442 PolarHBondContact O-N 3.14Å; A439-F443 PolarHBondContact O-N 3.36Å; A439-H471 HydrophobicContact CB-CB 3.91Å; A439-L475 HydrophobicContact CB-CD1 4.24Å; A439-Y617 HydrophobicContact CB-CD1 4.25Å; A439-Y617 HydrophobicContact CB-CE1 3.68Å
440K97.2Very high95.8Very high1 Ų116 Ų160%0.00411%0.111CC..Hα-helixtrans-61.3-45.8172.8-54.7-174.2-175.7173.20112.5T436 N437 T442 F443 W444 G614 T616 D619 L620T436-K440 WeakPolarHBondContact O-CG 3.19Å; T436-K440 PolarHBondContact O-N 3.21Å; T436-K440 VanDerWaalsContact O-N 3.11Å; N437-K440 WeakPolarHBondContact O-CB 3.47Å; N437-K440 PolarHBondContact O-N 3.28Å; N437-K440 PolarHBondContact OD1-NZ 3.03Å; K440-T442 VanDerWaalsContact C-N 3.28Å; K440-T442 PolarHBondContact O-N 3.34Å; K440-F443 WeakPolarHBondContact O-CB 3.4Å; K440-F443 PolarHBondContact O-N 2.83Å; K440-W444 PolarHBondContact O-N 3.21Å; K440-G614 PolarHBondContact NZ-O 2.66Å; K440-T616 WeakPolarHBondContact CE-O 3.5Å; K440-D619 WeakPolarHBondContact CD-O 3.36Å; K440-D619 PolarHBondContact NZ-O 2.9Å; K440-L620 HydrophobicContact CB-CB 4.19Å; K440-L620 HydrophobicContact CB-CD1 4.38Å; K440-L620 HydrophobicContact CB-CD2 4.31Å; K440-L620 HydrophobicContact CD-CB 4.34Å
441I97.1Very high96Very high0 Ų015.6 Ų15.60%011%0.105CC..Hα-helixtrans-63.3-38.5176.2-70.7165.2000110.3F426 N437 L438 F443 W444 L445 L514 M583 F610 L620F426-I441 HydrophobicContact CE1-CD1 3.47Å; F426-I441 VanDerWaalsContact CE1-CD1 3.47Å; F426-I441 HydrophobicContact CZ-CD1 3.57Å; N437-I441 PolarHBondContact O-N 3.45Å; L438-I441 PolarHBondContact O-N 2.96Å; I441-F443 PolarHBondContact O-N 3.1Å; I441-W444 PolarHBondContact O-N 3.33Å; I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.2Å; I441-L445 WeakPolarHBondContact O-CB 3.3Å; I441-L445 VanDerWaalsContact O-CG 3.27Å; I441-L445 WeakPolarHBondContact O-CG 3.42Å; I441-L445 PolarHBondContact O-N 3.26Å; I441-L514 HydrophobicContact CG2-CD1 4.09Å; I441-M583 HydrophobicContact CD1-CE 3.78Å; I441-M583 HydrophobicContact CD1-SD 3.81Å; I441-M583 HydrophobicContact CG1-CE 4.24Å; I441-F610 HydrophobicContact CD1-CD2 3.78Å; I441-F610 HydrophobicContact CD1-CE2 3.96Å; I441-F610 HydrophobicContact CD1-CG 4.49Å; I441-F610 HydrophobicContact CG1-CD2 4.27Å; I441-F610 HydrophobicContact CG1-CE2 4.28Å; I441-L620 HydrophobicContact CG1-CD1 4.28Å; I441-L620 HydrophobicContact CG1-CD2 3.84Å
442T97.5Very high96.3Very high0 Ų012.9 Ų12.90%08%0.077CC..Hα-helixtrans-59.8-46.4174.3-53.80000111.5L438 A439 K440 W444 L445 N446 V452 I454 L475 V483 L514L438-T442 PolarHBondContact O-N 2.91Å; L438-T442 PolarHBondContact O-OG1 2.91Å; A439-T442 WeakPolarHBondContact O-CB 3.33Å; A439-T442 PolarHBondContact O-N 3.14Å; K440-T442 VanDerWaalsContact C-N 3.28Å; K440-T442 PolarHBondContact O-N 3.34Å; T442-W444 PolarHBondContact O-N 3.02Å; T442-L445 PolarHBondContact O-N 3.07Å; T442-N446 WeakPolarHBondContact O-CB 3.38Å; T442-N446 PolarHBondContact O-N 3.46Å; T442-N446 PolarHBondContact O-OD1 3.28Å; T442-V452 HydrophobicContact CG2-CB 3.89Å; T442-V452 HydrophobicContact CG2-CG1 3.86Å; T442-V452 HydrophobicContact CG2-CG2 4.25Å; T442-I454 HydrophobicContact CG2-CD1 4.23Å; T442-L475 HydrophobicContact CG2-CD1 3.75Å; T442-V483 HydrophobicContact CG2-CB 4.38Å; T442-V483 HydrophobicContact CG2-CG2 3.72Å; T442-L514 VanDerWaalsContact OG1-CD1 3.3Å; T442-L514 WeakPolarHBondContact OG1-CD1 3.31Å
443F96.3Very high96.5Very high0 Ų012.9 Ų12.90%08%0.077CC..Hα-helixtrans-58.3-48.6176.4-175.7-120.9000111.3V283 M286 A439 K440 I441 L445 N446 E447 L475 L478 H479 Y617V283-F443 HydrophobicContact CG2-CE2 4.18Å; V283-F443 HydrophobicContact CG2-CZ 4.28Å; M286-F443 HydrophobicContact CE-CD1 3.13Å; M286-F443 HydrophobicContact CE-CE1 3.48Å; M286-F443 VanDerWaalsContact CE-CE1 3.48Å; M286-F443 HydrophobicContact CE-CG 4.13Å; M286-F443 HydrophobicContact SD-CD1 4.29Å; M286-F443 HydrophobicContact SD-CE1 4.25Å; A439-F443 PolarHBondContact O-N 3.36Å; K440-F443 WeakPolarHBondContact O-CB 3.4Å; K440-F443 PolarHBondContact O-N 2.83Å; I441-F443 PolarHBondContact O-N 3.1Å; F443-L445 PolarHBondContact O-N 2.7Å; F443-N446 PolarHBondContact O-N 2.69Å; F443-E447 HydrophobicContact CE1-CG 4.37Å; F443-E447 HydrophobicContact CE2-CG 4.38Å; F443-E447 HydrophobicContact CZ-CG 4.2Å; F443-E447 WeakPolarHBondContact O-CG 3.49Å; F443-E447 PolarHBondContact O-N 3.28Å; F443-L475 HydrophobicContact CB-CD2 3.62Å; F443-L475 HydrophobicContact CD2-CD2 3.98Å; F443-L475 HydrophobicContact CG-CD2 4.21Å; F443-L478 HydrophobicContact CD2-CD1 4.08Å; F443-L478 HydrophobicContact CE2-CB 4.45Å; F443-L478 HydrophobicContact CE2-CD1 3.81Å; F443-H479 AromaticContact CD2-CD2 3.95Å; F443-H479 AromaticContact CD2-NE2 3.65Å; F443-H479 AromaticContact CE2-CD2 3.95Å; F443-H479 AromaticContact CE2-NE2 3.32Å; F443-H479 VanDerWaalsContact CE2-NE2 3.32Å; F443-H479 WeakPolarHBondContact CE2-NE2 3.38Å; F443-Y617 HydrophobicContact CB-CG 4.22Å; F443-Y617 VanDerWaalsContact CD1-CB 3.42Å; F443-Y617 HydrophobicContact CD1-CG 4.49Å; F443-Y617 HydrophobicContact CG-CG 4.28Å
444W95.8Very high96.6Very high11 Ų1112 Ų124%0.0427%0.067CC..Hα-helixtrans-61.7-39.6176.8173.863.1000113.8M286 G288 L290 L408 L409 K440 I441 T442 E447 N448 F610 L620M286-W444 HydrophobicContact CE-CB 3.74Å; G288-W444 PolarHBondContact O-NE1 2.88Å; G288-W444 VanDerWaalsContact O-NE1 3.12Å; L290-W444 HydrophobicContact CD1-CD2 4.23Å; L290-W444 HydrophobicContact CD1-CG 4.43Å; L290-W444 HydrophobicContact CD1-CZ2 4.45Å; L290-W444 HydrophobicContact CD2-CD2 4.44Å; L290-W444 HydrophobicContact CD2-CG 3.93Å; L290-W444 HydrophobicContact CG-CD2 4.25Å; L290-W444 HydrophobicContact CG-CG 4.26Å; L290-W444 HydrophobicContact CG-CZ2 4.26Å; L408-W444 HydrophobicContact CB-CH2 4.34Å; L408-W444 HydrophobicContact CB-CZ3 4.4Å; L408-W444 HydrophobicContact CD2-CZ3 4.04Å; L408-W444 HydrophobicContact CG-CZ3 4.39Å; L409-W444 HydrophobicContact CD1-CH2 4.25Å; L409-W444 HydrophobicContact CD1-CZ2 3.7Å; L409-W444 HydrophobicContact CD2-CH2 3.54Å; L409-W444 HydrophobicContact CD2-CZ2 3.6Å; L409-W444 HydrophobicContact CD2-CZ3 4.04Å; L409-W444 HydrophobicContact CG-CH2 3.59Å; L409-W444 HydrophobicContact CG-CZ2 3.58Å; K440-W444 PolarHBondContact O-N 3.21Å; I441-W444 PolarHBondContact O-N 3.33Å; T442-W444 PolarHBondContact O-N 3.02Å; W444-E447 WeakPolarHBondContact O-CB 3.34Å; W444-E447 PolarHBondContact O-N 3.31Å; W444-N448 PolarHBondContact NE1-ND2 3.05Å; W444-N448 VanDerWaalsContact NE1-ND2 3.17Å; W444-N448 PolarHBondContact O-N 2.95Å; W444-N448 VanDerWaalsContact O-N 3.16Å; W444-N448 PolarHBondContact O-ND2 2.9Å; W444-F610 HydrophobicContact CE3-CE1 4.33Å; W444-F610 HydrophobicContact CE3-CZ 4.23Å; W444-F610 HydrophobicContact CH2-CE1 4.13Å; W444-F610 HydrophobicContact CH2-CZ 4.02Å; W444-F610 AromaticContact CZ3-CE1 3.96Å; W444-F610 HydrophobicContact CZ3-CE1 3.96Å; W444-F610 AromaticContact CZ3-CZ 3.62Å; W444-F610 HydrophobicContact CZ3-CZ 3.62Å; W444-L620 HydrophobicContact CB-CD2 4.14Å
445L96.9Very high96.7Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-67-40.3176.1-72.6176000112L409 I412 I441 T442 F443 N448 G449 F450 V452 V512 L514L409-L445 HydrophobicContact CD2-CD2 4.11Å; I412-L445 HydrophobicContact CD1-CD1 4.47Å; I412-L445 HydrophobicContact CD1-CD2 3.47Å; I412-L445 VanDerWaalsContact CD1-CD2 3.47Å; I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.2Å; I441-L445 WeakPolarHBondContact O-CB 3.3Å; I441-L445 VanDerWaalsContact O-CG 3.27Å; I441-L445 WeakPolarHBondContact O-CG 3.42Å; I441-L445 PolarHBondContact O-N 3.26Å; T442-L445 PolarHBondContact O-N 3.07Å; F443-L445 PolarHBondContact O-N 2.7Å; L445-N448 CarbonylContact O-C 3.58Å; L445-N448 WeakPolarHBondContact O-CA 3.47Å; L445-N448 PolarHBondContact O-N 3.45Å; L445-N448 VanDerWaalsContact O-N 3.15Å; L445-G449 PolarHBondContact O-N 3.14Å; L445-F450 HydrophobicContact CB-CB 4.34Å; L445-F450 HydrophobicContact CD2-CD2 4.08Å; L445-F450 PolarHBondContact O-N 3.1Å; L445-V452 HydrophobicContact CB-CG2 3.67Å; L445-V452 HydrophobicContact CD1-CG2 3.89Å; L445-V452 HydrophobicContact CG-CG2 4.46Å; L445-V512 HydrophobicContact CD1-CB 4.36Å; L445-V512 HydrophobicContact CD1-CG1 3.96Å; L445-V512 HydrophobicContact CD1-CG2 4.25Å; L445-L514 HydrophobicContact CD1-CD1 4.34Å; L445-L514 HydrophobicContact CD1-CD2 4.34Å
446N95.8Very high96.7Very high5 Ų511.2 Ų11.23%0.0276%0.064CC..Hα-helixtrans-64.6-40.2175.6-69.6-1000111.6T442 F443 N448 G449 F450 H479T442-N446 WeakPolarHBondContact O-CB 3.38Å; T442-N446 PolarHBondContact O-N 3.46Å; T442-N446 PolarHBondContact O-OD1 3.28Å; F443-N446 PolarHBondContact O-N 2.69Å; N446-N448 PolarHBondContact O-N 3.01Å; N446-G449 PolarHBondContact O-N 2.93Å; N446-F450 PolarHBondContact OD1-O 3.26Å; N446-H479 HydrophobicContact CB-CB 4.05Å
447E93.4Very high96.7Very high12 Ų1210.3 Ų10.36%0.0566%0.058CC..Hα-helixtrans-57.3-35.1172.4-78.7-71.7135.900112.1V283 G284 M286 F443 W444 G449 H479V283-E447 VanDerWaalsContact CA-OE1 3.29Å; V283-E447 WeakPolarHBondContact CA-OE1 3.34Å; V283-E447 WeakPolarHBondContact CG1-OE1 3.43Å; G284-E447 WeakPolarHBondContact CA-OE2 3.29Å; G284-E447 PolarHBondContact N-OE1 3.03Å; G284-E447 PolarHBondContact N-OE2 2.78Å; M286-E447 HydrophobicContact CB-CB 4.45Å; M286-E447 HydrophobicContact CB-CG 4.3Å; F443-E447 HydrophobicContact CE1-CG 4.37Å; F443-E447 HydrophobicContact CE2-CG 4.38Å; F443-E447 HydrophobicContact CZ-CG 4.2Å; F443-E447 WeakPolarHBondContact O-CG 3.49Å; F443-E447 PolarHBondContact O-N 3.28Å; W444-E447 WeakPolarHBondContact O-CB 3.34Å; W444-E447 PolarHBondContact O-N 3.31Å; E447-G449 VanDerWaalsContact C-N 3.3Å; E447-H479 IonicContact OE1-CE1 3.45Å; E447-H479 PolarHBondContact OE1-CE1 2.9Å; E447-H479 IonicContact OE1-NE2 3.63Å; E447-H479 PolarHBondContact OE1-NE2 2.87Å
448N94Very high96.6Very high40 Ų4010.1 Ų10.121%0.2146%0.057CC..THydrogen-bonded Turntrans-86.78174.9-74.4-80000114.1M286 G288 L409 W444 L445 N446 F450M286-N448 PolarHBondContact O-ND2 2.92Å; G288-N448 WeakPolarHBondContact CA-OD1 3.1Å; G288-N448 PolarHBondContact N-OD1 3.44Å; L409-N448 HydrophobicContact CD2-CB 3.95Å; W444-N448 PolarHBondContact NE1-ND2 3.05Å; W444-N448 VanDerWaalsContact NE1-ND2 3.17Å; W444-N448 PolarHBondContact O-N 2.95Å; W444-N448 VanDerWaalsContact O-N 3.16Å; W444-N448 PolarHBondContact O-ND2 2.9Å; L445-N448 CarbonylContact O-C 3.58Å; L445-N448 WeakPolarHBondContact O-CA 3.47Å; L445-N448 PolarHBondContact O-N 3.45Å; L445-N448 VanDerWaalsContact O-N 3.15Å; N446-N448 PolarHBondContact O-N 3.01Å; N448-F450 HydrophobicContact CB-CD2 3.98Å; N448-F450 HydrophobicContact CB-CE2 4.02Å
449G93.8Very high96.1Very high37 Ų3711.1 Ų11.138%0.3816%0.064SC..THydrogen-bonded Turntrans81.116172.300000115.5L445 N446 E447L445-G449 PolarHBondContact O-N 3.14Å; N446-G449 PolarHBondContact O-N 2.93Å; E447-G449 VanDerWaalsContact C-N 3.3Å
450F96.3Very high95.7Very high17 Ų1718.8 Ų18.88%0.07510%0.097CC..  trans-90.9139.9175-63.5-69000111.8L409 I412 M413 L445 N446 N448 D511 V512L409-F450 HydrophobicContact CD2-CD2 4.27Å; L409-F450 HydrophobicContact CD2-CE2 3.72Å; I412-F450 HydrophobicContact CB-CE1 4.28Å; I412-F450 HydrophobicContact CB-CZ 4.38Å; I412-F450 HydrophobicContact CG2-CD1 3.51Å; I412-F450 HydrophobicContact CG2-CE1 3.47Å; I412-F450 VanDerWaalsContact CG2-CE1 3.47Å; I412-F450 HydrophobicContact CG2-CG 4.08Å; I412-F450 HydrophobicContact CG2-CZ 4.02Å; M413-F450 HydrophobicContact CG-CE1 4.16Å; M413-F450 HydrophobicContact CG-CZ 3.82Å; L445-F450 HydrophobicContact CB-CB 4.34Å; L445-F450 HydrophobicContact CD2-CD2 4.08Å; L445-F450 PolarHBondContact O-N 3.1Å; N446-F450 PolarHBondContact OD1-O 3.26Å; N448-F450 HydrophobicContact CB-CD2 3.98Å; N448-F450 HydrophobicContact CB-CE2 4.02Å; F450-D511 WeakPolarHBondContact CA-OD2 3.34Å; F450-D511 HydrophobicContact CB-CB 4.26Å; F450-D511 HydrophobicContact CD1-CB 3.99Å; F450-V512 HydrophobicContact CB-CG2 4.42Å
451K97.2Very high95.4Very high81 Ų8123.9 Ų23.935%0.35212%0.116SC..  trans-85.1124.8171.1-65.1-179.1-179.1177.20110.3Y482 F510 D511 V512K451-Y482 CarbonylContact C-O 3.5Å; K451-Y482 WeakPolarHBondContact CA-O 3.29Å; K451-Y482 HydrophobicContact CG-CD1 4.17Å; K451-F510 HydrophobicContact CB-CD1 3.79Å; K451-F510 HydrophobicContact CB-CE1 4.31Å; K451-F510 HydrophobicContact CB-CG 4.43Å; K451-D511 PolarHBondContact N-OD2 3.14Å; K451-D511 PolarHBondContact O-N 3.37Å; K451-V512 PolarHBondContact O-N 3.02Å; K451-V512 VanDerWaalsContact O-N 3.1Å
452V98.2Very high95Very high0 Ų028.3 Ų28.30%015%0.153CC..EExtended strand (participates in β ladder)trans-114.9128.4-174.4-175.70000112T442 L445 Y482 V483 Q484 F510 V512 L514T442-V452 HydrophobicContact CG2-CB 3.89Å; T442-V452 HydrophobicContact CG2-CG1 3.86Å; T442-V452 HydrophobicContact CG2-CG2 4.25Å; L445-V452 HydrophobicContact CB-CG2 3.67Å; L445-V452 HydrophobicContact CD1-CG2 3.89Å; L445-V452 HydrophobicContact CG-CG2 4.46Å; V452-Y482 PolarHBondContact N-O 3.14Å; V452-V483 VanDerWaalsContact O-CA 3.31Å; V452-V483 WeakPolarHBondContact O-CA 3.49Å; V452-Q484 PolarHBondContact O-N 3.29Å; V452-Q484 VanDerWaalsContact O-N 3.13Å; V452-F510 VanDerWaalsContact C-CD1 3.43Å; V452-F510 WeakPolarHBondContact O-CE1 3.46Å; V452-V512 WeakPolarHBondContact CA-O 3.17Å; V452-V512 HydrophobicContact CG2-CB 4.34Å; V452-L514 HydrophobicContact CG1-CD1 3.76Å; V452-L514 HydrophobicContact CG1-CG 3.73Å
453M98.1Very high94.8Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-98.7123.4165.9-171.9164.5-69.700109.9Q484 Y486 H504 A505 F510 V512 V513 L514M453-Q484 CarbonylContact C-O 3.31Å; M453-Q484 WeakPolarHBondContact CA-O 3.4Å; M453-Y486 HydrophobicContact SD-CD2 4.4Å; M453-H504 WeakPolarHBondContact CE-ND1 3.25Å; M453-H504 HydrophobicContact SD-CB 4.4Å; M453-A505 HydrophobicContact CB-CB 4.13Å; M453-A505 HydrophobicContact CE-CB 4.09Å; M453-A505 HydrophobicContact CG-CB 4.5Å; M453-A505 HydrophobicContact SD-CB 3.68Å; M453-F510 HydrophobicContact CB-CB 4.36Å; M453-F510 HydrophobicContact CB-CD1 4.1Å; M453-F510 HydrophobicContact CB-CG 4.11Å; M453-F510 HydrophobicContact CE-CD2 3.42Å; M453-F510 VanDerWaalsContact CE-CD2 3.42Å; M453-F510 HydrophobicContact CE-CE2 3.45Å; M453-F510 VanDerWaalsContact CE-CE2 3.45Å; M453-F510 HydrophobicContact CE-CG 4.03Å; M453-F510 HydrophobicContact CE-CZ 4.11Å; M453-V512 PolarHBondContact N-O 3.12Å; M453-V513 HydrophobicContact CB-CG2 4.19Å; M453-V513 CarbonylContact O-C 3.6Å; M453-V513 VanDerWaalsContact O-CA 3.31Å; M453-V513 WeakPolarHBondContact O-CA 3.38Å; M453-L514 PolarHBondContact O-N 3.21Å
454I98.4Very high94.6Very high0 Ų030 Ų300%017%0.171CC..EExtended strand (participates in β ladder)trans-91.2123.1172.9-60.6178000108.1L438 T442 L468 L475 V483 Q484 L485 Y486L438-I454 HydrophobicContact CD2-CB 4.44Å; L438-I454 HydrophobicContact CD2-CD1 3.96Å; L438-I454 HydrophobicContact CD2-CG1 3.92Å; L438-I454 HydrophobicContact CD2-CG2 3.81Å; T442-I454 HydrophobicContact CG2-CD1 4.23Å; I454-L468 HydrophobicContact CG2-CD1 4.14Å; I454-L468 HydrophobicContact CG2-CD2 4.24Å; I454-L475 HydrophobicContact CD1-CD1 4.38Å; I454-V483 HydrophobicContact CD1-CG2 4.01Å; I454-V483 HydrophobicContact CG1-CG2 4.28Å; I454-Q484 PolarHBondContact N-O 2.88Å; I454-L485 HydrophobicContact CB-CD1 4.04Å; I454-L485 HydrophobicContact CG2-CD1 3.79Å; I454-Y486 PolarHBondContact O-N 2.95Å
455A98.1Very high94.6Very high0 Ų029.6 Ų29.60%017%0.17CC..EExtended strand (participates in β ladder)trans-102111.2176.300000110.6C457 A501 V513 L514 I515 D516A455-C457 PolarHBondContact O-N 3.47Å; A455-A501 HydrophobicContact CB-CB 3.51Å; A455-V513 HydrophobicContact CB-CG1 4.22Å; A455-L514 PolarHBondContact N-O 3.25Å; A455-I515 HydrophobicContact CB-CG1 4.16Å; A455-D516 PolarHBondContact O-N 3.14Å
456A97.2Very high94.5Very high3 Ų331.9 Ų31.93%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-77.984.1179.500000111.3V465 L468 L485 Y486 E487A456-V465 HydrophobicContact CB-CG2 4.43Å; A456-L468 HydrophobicContact CB-CD1 3.73Å; A456-L485 HydrophobicContact CB-CD1 4.15Å; A456-Y486 PolarHBondContact N-O 3.35Å; A456-E487 HydrophobicContact CB-CB 4.15Å
457C96.3Very high94.4Very high2 Ų234.4 Ų34.41%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-99.25.2179.4-58.30000113.5A455 T459 A494 I515 D516 L534A455-C457 PolarHBondContact O-N 3.47Å; C457-T459 VanDerWaalsContact C-N 3.3Å; C457-T459 PolarHBondContact O-N 2.9Å; C457-T459 VanDerWaalsContact O-N 3.12Å; C457-A494 HydrophobicContact CB-CB 4.11Å; C457-A494 WeakPolarHBondContact O-CB 3.28Å; C457-I515 HydrophobicContact CB-CG2 4.02Å; C457-D516 CarbonylContact C-O 3.51Å; C457-D516 WeakPolarHBondContact CA-O 3.34Å; C457-D516 WeakPolarHBondContact CB-O 3.42Å; C457-D516 PolarHBondContact N-O 3.32Å; C457-L534 HydrophobicContact CB-CD1 4.4Å
458D95Very high94.6Very high3 Ų333.9 Ų33.92%0.01619%0.19CC..  trans-78.480161.8-172.9-3.4000109.8F460 R461 A464 D516 A518D458-F460 VanDerWaalsContact C-N 3.3Å; D458-F460 PolarHBondContact OD1-N 3.07Å; D458-R461 WeakPolarHBondContact OD1-CB 3.48Å; D458-R461 PolarHBondContact OD1-N 3.23Å; D458-R461 WeakPolarHBondContact OD2-CB 3.29Å; D458-R461 IonicContact OD2-CZ 3.78Å; D458-R461 IonicContact OD2-NE 3.47Å; D458-R461 PolarHBondContact OD2-NE 3.41Å; D458-R461 IonicContact OD2-NH2 2.96Å; D458-R461 PolarHBondContact OD2-NH2 3.38Å; D458-A464 HydrophobicContact CB-CB 3.82Å; D458-A464 VanDerWaalsContact CG-CB 3.48Å; D458-A464 VanDerWaalsContact OD2-CB 3.31Å; D458-A464 WeakPolarHBondContact OD2-CB 3.39Å; D458-D516 PolarHBondContact N-O 2.82Å; D458-A518 HydrophobicContact CB-CB 4.33Å; D458-A518 WeakPolarHBondContact OD1-CB 3.46Å
459T88.8Confident94.7Very high22 Ų2234.1 Ų34.114%0.13519%0.187CC..  trans-89.86.2-179.862.60000113.1C457 G491 K492 V497C457-T459 VanDerWaalsContact C-N 3.3Å; C457-T459 PolarHBondContact O-N 2.9Å; C457-T459 VanDerWaalsContact O-N 3.12Å; T459-G491 PolarHBondContact O-N 3.22Å; T459-K492 WeakPolarHBondContact CB-O 3.25Å; T459-K492 HydrophobicContact CG2-CB 4.23Å; T459-K492 PolarHBondContact OG1-O 3.49Å; T459-V497 HydrophobicContact CG2-CG2 4.44Å
460F88.4Confident94.7Very high161 Ų16134.8 Ų34.871%0.70618%0.184SC*.SBendtrans-108.1-43.1-172.9-177.9-99.7000113.1D458 A518D458-F460 VanDerWaalsContact C-N 3.3Å; D458-F460 PolarHBondContact OD1-N 3.07Å; F460-A518 HydrophobicContact CB-CB 4.4Å
461R90.1Very high94.7Very high107 Ų10735.2 Ų35.240%0.40419%0.186SC..SBendtrans-84.6125.8-176.4179.3175.460.8132.99.4111.2S435 D458 G463 A464 Q467 Y490S435-R461 PolarHBondContact OG-NH2 3.23Å; D458-R461 WeakPolarHBondContact OD1-CB 3.48Å; D458-R461 PolarHBondContact OD1-N 3.23Å; D458-R461 WeakPolarHBondContact OD2-CB 3.29Å; D458-R461 IonicContact OD2-CZ 3.78Å; D458-R461 IonicContact OD2-NE 3.47Å; D458-R461 PolarHBondContact OD2-NE 3.41Å; D458-R461 IonicContact OD2-NH2 2.96Å; D458-R461 PolarHBondContact OD2-NH2 3.38Å; R461-G463 PolarHBondContact O-N 3.23Å; R461-A464 HydrophobicContact CB-CB 4.19Å; R461-A464 VanDerWaalsContact O-CB 3.26Å; R461-A464 WeakPolarHBondContact O-CB 3.24Å; R461-A464 PolarHBondContact O-N 2.96Å; R461-Q467 VanDerWaalsContact NH2-OE1 3.1Å; R461-Y490 WeakPolarHBondContact O-CE1 3.24Å
462A89.7Confident94.7Very high94 Ų9432.1 Ų32.178%0.77717%0.174SC*.THydrogen-bonded Turntrans-60.4136.6174.700000111.5A464A462-A464 VanDerWaalsContact C-N 3.28Å; A462-A464 PolarHBondContact O-N 3Å
463G92.3Very high94.5Very high35 Ų3539.1 Ų39.136%0.36120%0.2SC..THydrogen-bonded Turntrans79.5-2.7-178.200000115.2R461 E466 Q467 Y490R461-G463 PolarHBondContact O-N 3.23Å; G463-E466 WeakPolarHBondContact CA-OE2 3.44Å; G463-E466 PolarHBondContact O-N 2.9Å; G463-Q467 WeakPolarHBondContact O-CB 3.14Å; G463-Q467 PolarHBondContact O-N 2.89Å; G463-Y490 VanDerWaalsContact CA-OH 3.27Å; G463-Y490 WeakPolarHBondContact CA-OH 3.35Å; G463-Y490 PolarHBondContact N-OH 3.23Å
464A93.7Very high94.3Very high1 Ų139.6 Ų39.61%0.00820%0.203CC..Hα-helixtrans-66-39.4-179.900000112.6D458 R461 A462 Q467 L468 Y490D458-A464 HydrophobicContact CB-CB 3.82Å; D458-A464 VanDerWaalsContact CG-CB 3.48Å; D458-A464 VanDerWaalsContact OD2-CB 3.31Å; D458-A464 WeakPolarHBondContact OD2-CB 3.39Å; R461-A464 HydrophobicContact CB-CB 4.19Å; R461-A464 VanDerWaalsContact O-CB 3.26Å; R461-A464 WeakPolarHBondContact O-CB 3.24Å; R461-A464 PolarHBondContact O-N 2.96Å; A462-A464 VanDerWaalsContact C-N 3.28Å; A462-A464 PolarHBondContact O-N 3Å; A464-Q467 PolarHBondContact O-N 2.84Å; A464-L468 PolarHBondContact O-N 3.03Å; A464-Y490 PolarHBondContact N-OH 3.46Å; A464-Y490 VanDerWaalsContact N-OH 3.15Å
465V94.2Very high94.2Very high2 Ų239.6 Ų39.61%0.01220%0.203CC..Hα-helixtrans-68.3-45.1177.2178.50000110.1A456 Q467 L468 R469 E487 Y490A456-V465 HydrophobicContact CB-CG2 4.43Å; V465-Q467 VanDerWaalsContact C-N 3.32Å; V465-Q467 PolarHBondContact O-N 3.4Å; V465-L468 PolarHBondContact O-N 3.23Å; V465-R469 WeakPolarHBondContact O-CB 3.39Å; V465-R469 PolarHBondContact O-N 3.48Å; V465-E487 HydrophobicContact CG1-CB 3.97Å; V465-E487 HydrophobicContact CG1-CG 4.38Å; V465-E487 WeakPolarHBondContact CG1-OE2 3.45Å; V465-Y490 HydrophobicContact CB-CE1 4.31Å; V465-Y490 HydrophobicContact CB-CE2 4.4Å; V465-Y490 HydrophobicContact CG2-CD1 4.31Å; V465-Y490 HydrophobicContact CG2-CE1 3.73Å; V465-Y490 HydrophobicContact CG2-CE2 4.38Å; V465-Y490 PolarHBondContact N-OH 2.99Å; V465-Y490 VanDerWaalsContact N-OH 3.11Å
466E94.9Very high94Very high48 Ų4841.2 Ų41.222%0.22422%0.216CC..Hα-helixtrans-58.7-41.9174.8-74.561.7-134.200112.1G463 L468 R469 T470 Y490G463-E466 WeakPolarHBondContact CA-OE2 3.44Å; G463-E466 PolarHBondContact O-N 2.9Å; E466-L468 PolarHBondContact O-N 3.45Å; E466-R469 WeakPolarHBondContact O-CB 3.46Å; E466-R469 PolarHBondContact O-N 3.43Å; E466-R469 IonicContact OE1-CZ 3.67Å; E466-R469 IonicContact OE1-NH1 3.37Å; E466-R469 PolarHBondContact OE1-NH1 3.34Å; E466-R469 IonicContact OE1-NH2 3.6Å; E466-T470 PolarHBondContact O-N 2.79Å; E466-T470 PolarHBondContact O-OG1 2.87Å; E466-Y490 PolarHBondContact OE2-OH 2.91Å
467Q95.2Very high93.8Very high58 Ų5842.8 Ų42.827%0.27123%0.229SC..Hα-helixtrans-57.8-49.6176.7-176.4-178.2500111.4R461 G463 A464 V465 R469 T470 H471R461-Q467 VanDerWaalsContact NH2-OE1 3.1Å; G463-Q467 WeakPolarHBondContact O-CB 3.14Å; G463-Q467 PolarHBondContact O-N 2.89Å; A464-Q467 PolarHBondContact O-N 2.84Å; V465-Q467 VanDerWaalsContact C-N 3.32Å; V465-Q467 PolarHBondContact O-N 3.4Å; Q467-R469 VanDerWaalsContact C-N 3.31Å; Q467-R469 PolarHBondContact O-N 3.17Å; Q467-T470 PolarHBondContact O-N 3.4Å; Q467-H471 PolarHBondContact O-CD2 2.84Å; Q467-H471 PolarHBondContact O-N 2.85Å; Q467-H471 VanDerWaalsContact O-N 3.08Å
468L96.5Very high93.6Very high1 Ų143.2 Ų43.21%0.00523%0.231CC..Hα-helixtrans-67.2-32.7177.2-68.5179000112.3I454 A456 A464 V465 E466 H471 T472 L485 D516I454-L468 HydrophobicContact CG2-CD1 4.14Å; I454-L468 HydrophobicContact CG2-CD2 4.24Å; A456-L468 HydrophobicContact CB-CD1 3.73Å; A464-L468 PolarHBondContact O-N 3.03Å; V465-L468 PolarHBondContact O-N 3.23Å; E466-L468 PolarHBondContact O-N 3.45Å; L468-H471 PolarHBondContact O-N 3Å; L468-T472 WeakPolarHBondContact O-CB 3.4Å; L468-T472 PolarHBondContact O-N 3.42Å; L468-T472 PolarHBondContact O-OG1 3.27Å; L468-L485 HydrophobicContact CB-CD1 3.94Å; L468-D516 HydrophobicContact CD1-CB 3.77Å
469R95.7Very high93.5Very high44 Ų4444.1 Ų44.117%0.16624%0.235CC..Hα-helixtrans-63.3-43.8174.6-167.3-176.5-62.9133.8-3.7111.5V465 E466 Q467 T472 R473 L485 E487V465-R469 WeakPolarHBondContact O-CB 3.39Å; V465-R469 PolarHBondContact O-N 3.48Å; E466-R469 WeakPolarHBondContact O-CB 3.46Å; E466-R469 PolarHBondContact O-N 3.43Å; E466-R469 IonicContact OE1-CZ 3.67Å; E466-R469 IonicContact OE1-NH1 3.37Å; E466-R469 PolarHBondContact OE1-NH1 3.34Å; E466-R469 IonicContact OE1-NH2 3.6Å; Q467-R469 VanDerWaalsContact C-N 3.31Å; Q467-R469 PolarHBondContact O-N 3.17Å; R469-T472 PolarHBondContact O-N 2.68Å; R469-R473 WeakPolarHBondContact O-CG 3.32Å; R469-R473 PolarHBondContact O-N 3.42Å; R469-L485 HydrophobicContact CB-CD2 3.85Å; R469-L485 HydrophobicContact CG-CD2 4.26Å; R469-E487 IonicContact CZ-OE1 3.66Å; R469-E487 IonicContact CZ-OE2 3.57Å; R469-E487 IonicContact NE-OE1 3.22Å; R469-E487 IonicContact NE-OE2 3.52Å; R469-E487 PolarHBondContact NE-OE2 3.06Å; R469-E487 VanDerWaalsContact NH2-CD 3.29Å; R469-E487 IonicContact NH2-OE1 2.77Å; R469-E487 PolarHBondContact NH2-OE1 3.03Å; R469-E487 IonicContact NH2-OE2 3.03Å; R469-E487 PolarHBondContact NH2-OE2 3.05Å
470T95.1Very high93.6Very high51 Ų5147.8 Ų47.831%0.31326%0.259SS..Hα-helixtrans-61.5-50.3174.3-620000111.2E466 Q467 T472 R473 H474E466-T470 PolarHBondContact O-N 2.79Å; E466-T470 PolarHBondContact O-OG1 2.87Å; Q467-T470 PolarHBondContact O-N 3.4Å; T470-T472 VanDerWaalsContact C-N 3.31Å; T470-T472 PolarHBondContact O-N 3.42Å; T470-R473 PolarHBondContact O-N 2.84Å; T470-R473 VanDerWaalsContact O-N 3.16Å; T470-H474 WeakPolarHBondContact CG2-CE1 3.36Å; T470-H474 PolarHBondContact O-N 3.23Å
471H95.8Very high93.8Very high27 Ų2743.1 Ų43.113%0.12526%0.257CS..Hα-helixtrans-56-45.3175-76.7-54.2000112.3A439 Q467 L468 R473 H474 L475 Y617A439-H471 HydrophobicContact CB-CB 3.91Å; Q467-H471 PolarHBondContact O-CD2 2.84Å; Q467-H471 PolarHBondContact O-N 2.85Å; Q467-H471 VanDerWaalsContact O-N 3.08Å; L468-H471 PolarHBondContact O-N 3Å; H471-R473 VanDerWaalsContact C-N 3.34Å; H471-R473 PolarHBondContact O-N 2.83Å; H471-H474 PolarHBondContact O-N 2.97Å; H471-L475 WeakPolarHBondContact O-CB 3.46Å; H471-L475 WeakPolarHBondContact O-CD1 3.36Å; H471-L475 WeakPolarHBondContact O-CG 3.42Å; H471-L475 PolarHBondContact O-N 3.43Å; H471-Y617 AromaticContact ND1-CE1 3.55Å; H471-Y617 AromaticContact ND1-CZ 3.66Å; H471-Y617 PolarHBondContact ND1-OH 2.84Å
472T96.3Very high94.1Very high15 Ų1542.3 Ų42.39%0.09225%0.254CS..Hα-helixtrans-61.2-42.1179-58.20000111.6L468 R469 T470 A476 V483 L485L468-T472 WeakPolarHBondContact O-CB 3.4Å; L468-T472 PolarHBondContact O-N 3.42Å; L468-T472 PolarHBondContact O-OG1 3.27Å; R469-T472 PolarHBondContact O-N 2.68Å; T470-T472 VanDerWaalsContact C-N 3.31Å; T470-T472 PolarHBondContact O-N 3.42Å; T472-A476 WeakPolarHBondContact O-CB 3.2Å; T472-A476 PolarHBondContact O-N 3.35Å; T472-V483 HydrophobicContact CG2-CG1 4.38Å; T472-V483 HydrophobicContact CG2-CG2 4.25Å; T472-L485 HydrophobicContact CG2-CB 3.95Å
473R95.3Very high94.4Very high147 Ų14738.5 Ų38.556%0.55522%0.221SC*.Hα-helixtrans-62.7-46.3176.8-73.8173-175.7164.6-0.2111.6R469 T470 H471 A476 A477R469-R473 WeakPolarHBondContact O-CG 3.32Å; R469-R473 PolarHBondContact O-N 3.42Å; T470-R473 PolarHBondContact O-N 2.84Å; T470-R473 VanDerWaalsContact O-N 3.16Å; H471-R473 VanDerWaalsContact C-N 3.34Å; H471-R473 PolarHBondContact O-N 2.83Å; R473-A476 PolarHBondContact O-N 2.83Å; R473-A477 WeakPolarHBondContact O-CB 3.41Å; R473-A477 PolarHBondContact O-N 2.78Å
474H94.1Very high94.6Very high11 Ų1140.5 Ų40.55%0.05122%0.221CC..Hα-helixtrans-62.7-47.8177.6-61.3162.2000111.3D272 L275 V276 T470 H471 A476 A477 L478 Y617D272-H474 IonicContact OD1-CD2 3.23Å; D272-H474 IonicContact OD1-CE1 3.13Å; D272-H474 IonicContact OD1-NE2 3.36Å; D272-H474 PolarHBondContact OD1-NE2 2.93Å; L275-H474 VanDerWaalsContact CD2-CE1 3.48Å; L275-H474 WeakPolarHBondContact CD2-CE1 3.33Å; V276-H474 HydrophobicContact CG2-CB 4.02Å; T470-H474 WeakPolarHBondContact CG2-CE1 3.36Å; T470-H474 PolarHBondContact O-N 3.23Å; H471-H474 PolarHBondContact O-N 2.97Å; H474-A476 VanDerWaalsContact C-N 3.33Å; H474-A476 PolarHBondContact O-N 3.41Å; H474-A477 WeakPolarHBondContact O-CB 3.04Å; H474-A477 PolarHBondContact O-N 3.46Å; H474-A477 VanDerWaalsContact O-N 3.1Å; H474-L478 WeakPolarHBondContact O-CG 3.46Å; H474-L478 PolarHBondContact O-N 3.46Å; H474-L478 VanDerWaalsContact O-N 3.08Å; H474-Y617 HydrophobicContact CB-CE2 4.27Å
475L95.1Very high94.8Very high0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-62.5-38.1178-69.4167000112.2A439 T442 F443 I454 H471 A477 L478 H479 V483 Y617A439-L475 HydrophobicContact CB-CD1 4.24Å; T442-L475 HydrophobicContact CG2-CD1 3.75Å; F443-L475 HydrophobicContact CB-CD2 3.62Å; F443-L475 HydrophobicContact CD2-CD2 3.98Å; F443-L475 HydrophobicContact CG-CD2 4.21Å; I454-L475 HydrophobicContact CD1-CD1 4.38Å; H471-L475 WeakPolarHBondContact O-CB 3.46Å; H471-L475 WeakPolarHBondContact O-CD1 3.36Å; H471-L475 WeakPolarHBondContact O-CG 3.42Å; H471-L475 PolarHBondContact O-N 3.43Å; L475-A477 VanDerWaalsContact C-N 3.32Å; L475-L478 PolarHBondContact O-N 3.37Å; L475-H479 PolarHBondContact O-N 2.83Å; L475-V483 HydrophobicContact CB-CG1 3.83Å; L475-Y617 HydrophobicContact CD2-CD2 4.2Å; L475-Y617 HydrophobicContact CD2-CE1 4.45Å; L475-Y617 HydrophobicContact CD2-CE2 4.1Å; L475-Y617 HydrophobicContact CD2-CG 4.43Å; L475-Y617 HydrophobicContact CG-CE2 4.41Å
476A94Very high95Very high34 Ų3443.8 Ų43.828%0.28124%0.235SC..Hα-helixtrans-68.9-30.3175.100000112.4T472 R473 H474 L478 H479 P480 V483T472-A476 WeakPolarHBondContact O-CB 3.2Å; T472-A476 PolarHBondContact O-N 3.35Å; R473-A476 PolarHBondContact O-N 2.83Å; H474-A476 VanDerWaalsContact C-N 3.33Å; H474-A476 PolarHBondContact O-N 3.41Å; A476-L478 VanDerWaalsContact C-N 3.34Å; A476-H479 CarbonylContact O-C 3.57Å; A476-P480 VanDerWaalsContact O-CA 3.24Å; A476-P480 WeakPolarHBondContact O-CA 3.46Å; A476-V483 HydrophobicContact CB-CG1 3.75Å
477A93.2Very high95Very high35 Ų3544.8 Ų44.829%0.28924%0.24SC..Hα-helixtrans-72.4-28.3174.200000112.8V276 R280 R473 H474 L475V276-A477 HydrophobicContact CG1-CB 3.82Å; V276-A477 HydrophobicContact CG2-CB 4.19Å; R280-A477 PolarHBondContact NH1-O 3.09Å; R280-A477 PolarHBondContact NH2-O 3.48Å; R473-A477 WeakPolarHBondContact O-CB 3.41Å; R473-A477 PolarHBondContact O-N 2.78Å; H474-A477 WeakPolarHBondContact O-CB 3.04Å; H474-A477 PolarHBondContact O-N 3.46Å; H474-A477 VanDerWaalsContact O-N 3.1Å; L475-A477 VanDerWaalsContact C-N 3.32Å
478L92Very high94.9Very high12 Ų1245.5 Ų45.56%0.06324%0.243CC..Hα-helixtrans-81.1-44.6173.8-62173.4000111.8V276 E279 R280 V283 F443 H474 L475 A476 Y617V276-L478 HydrophobicContact CG1-CD2 4.14Å; E279-L478 HydrophobicContact CB-CD1 3.87Å; E279-L478 HydrophobicContact CB-CD2 4.22Å; R280-L478 HydrophobicContact CB-CD2 4.2Å; R280-L478 HydrophobicContact CG-CD2 3.53Å; V283-L478 HydrophobicContact CG2-CB 4.22Å; V283-L478 HydrophobicContact CG2-CD2 3.95Å; F443-L478 HydrophobicContact CD2-CD1 4.08Å; F443-L478 HydrophobicContact CE2-CB 4.45Å; F443-L478 HydrophobicContact CE2-CD1 3.81Å; H474-L478 WeakPolarHBondContact O-CG 3.46Å; H474-L478 PolarHBondContact O-N 3.46Å; H474-L478 VanDerWaalsContact O-N 3.08Å; L475-L478 PolarHBondContact O-N 3.37Å; A476-L478 VanDerWaalsContact C-N 3.34Å; L478-Y617 HydrophobicContact CD1-CD2 4.11Å; L478-Y617 HydrophobicContact CD1-CE2 4.29Å
479H92.8Very high94.5Very high21 Ų2146.8 Ų46.810%0.09726%0.257CS..SBendtrans-127.482.2-179.7-60.4-88.1000111.7F443 N446 E447 L475 A476 G481 Y482F443-H479 AromaticContact CD2-CD2 3.95Å; F443-H479 AromaticContact CD2-NE2 3.65Å; F443-H479 AromaticContact CE2-CD2 3.95Å; F443-H479 AromaticContact CE2-NE2 3.32Å; F443-H479 VanDerWaalsContact CE2-NE2 3.32Å; F443-H479 WeakPolarHBondContact CE2-NE2 3.38Å; N446-H479 HydrophobicContact CB-CB 4.05Å; E447-H479 IonicContact OE1-CE1 3.45Å; E447-H479 PolarHBondContact OE1-CE1 2.9Å; E447-H479 IonicContact OE1-NE2 3.63Å; E447-H479 PolarHBondContact OE1-NE2 2.87Å; L475-H479 PolarHBondContact O-N 2.83Å; A476-H479 CarbonylContact O-C 3.57Å; H479-G481 PolarHBondContact O-N 2.92Å; H479-Y482 HydrophobicContact CB-CD2 4.3Å; H479-Y482 HydrophobicContact CB-CG 4.35Å; H479-Y482 PolarHBondContact O-N 3.27Å
480P92Very high94.2Very high99 Ų9949 Ų4964%0.64327%0.266SS*.THydrogen-bonded Turntrans-58.8125.2-178.3-24.934.7000112.4A476 Y482A476-P480 VanDerWaalsContact O-CA 3.24Å; A476-P480 WeakPolarHBondContact O-CA 3.46Å; P480-Y482 WeakPolarHBondContact O-CD2 3.26Å
481G92.3Very high93.9Very high63 Ų6350 Ų5065%0.64929%0.286SS*.THydrogen-bonded Turntrans82.93.1176.900000116.1H479H479-G481 PolarHBondContact O-N 2.92Å
482Y95.1Very high93.6Very high90 Ų9053.8 Ų53.835%0.35330%0.303SS..THydrogen-bonded Turntrans-98.5-16.2179-77.9-98.4000114.1K451 V452 H479 P480K451-Y482 CarbonylContact C-O 3.5Å; K451-Y482 WeakPolarHBondContact CA-O 3.29Å; K451-Y482 HydrophobicContact CG-CD1 4.17Å; V452-Y482 PolarHBondContact N-O 3.14Å; H479-Y482 HydrophobicContact CB-CD2 4.3Å; H479-Y482 HydrophobicContact CB-CG 4.35Å; H479-Y482 PolarHBondContact O-N 3.27Å; P480-Y482 WeakPolarHBondContact O-CD2 3.26Å
483V97Very high93.4Very high14 Ų1456.2 Ų56.29%0.08532%0.315CS..EExtended strand (participates in β ladder)trans-130.7141-177.1670000112.2T442 V452 I454 T472 L475 A476T442-V483 HydrophobicContact CG2-CB 4.38Å; T442-V483 HydrophobicContact CG2-CG2 3.72Å; V452-V483 VanDerWaalsContact O-CA 3.31Å; V452-V483 WeakPolarHBondContact O-CA 3.49Å; I454-V483 HydrophobicContact CD1-CG2 4.01Å; I454-V483 HydrophobicContact CG1-CG2 4.28Å; T472-V483 HydrophobicContact CG2-CG1 4.38Å; T472-V483 HydrophobicContact CG2-CG2 4.25Å; L475-V483 HydrophobicContact CB-CG1 3.83Å; A476-V483 HydrophobicContact CB-CG1 3.75Å
484Q97.2Very high93.3Very high78 Ų7849.8 Ų49.836%0.36429%0.293SS..EExtended strand (participates in β ladder)trans-143.3142.7173.3-176.8173.3-12.300111.3V452 M453 I454 F510V452-Q484 PolarHBondContact O-N 3.29Å; V452-Q484 VanDerWaalsContact O-N 3.13Å; M453-Q484 CarbonylContact C-O 3.31Å; M453-Q484 WeakPolarHBondContact CA-O 3.4Å; I454-Q484 PolarHBondContact N-O 2.88Å; Q484-F510 HydrophobicContact CB-CE1 3.88Å; Q484-F510 HydrophobicContact CB-CE2 4.37Å; Q484-F510 HydrophobicContact CB-CZ 3.47Å; Q484-F510 VanDerWaalsContact CB-CZ 3.47Å; Q484-F510 HydrophobicContact CG-CZ 4.39Å; Q484-F510 VanDerWaalsContact OE1-CZ 3.31Å
485L97.7Very high93.4Very high29 Ų2949.3 Ų49.315%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-92.4132173.4-175.164.8000110.7I454 A456 L468 R469 T472 E487I454-L485 HydrophobicContact CB-CD1 4.04Å; I454-L485 HydrophobicContact CG2-CD1 3.79Å; A456-L485 HydrophobicContact CB-CD1 4.15Å; L468-L485 HydrophobicContact CB-CD1 3.94Å; R469-L485 HydrophobicContact CB-CD2 3.85Å; R469-L485 HydrophobicContact CG-CD2 4.26Å; T472-L485 HydrophobicContact CG2-CB 3.95Å; L485-E487 HydrophobicContact CD2-CG 4.42Å; L485-E487 WeakPolarHBondContact CD2-OE2 3.31Å; L485-E487 HydrophobicContact CG-CB 4.44Å
486Y97.4Very high93.4Very high42 Ų4251.5 Ų51.517%0.16531%0.309CS..EExtended strand (participates in β ladder)trans-106.7116.2166-170.3-84.6000109.4M453 I454 A456 Q488 V497 S500 A501 H504M453-Y486 HydrophobicContact SD-CD2 4.4Å; I454-Y486 PolarHBondContact O-N 2.95Å; A456-Y486 PolarHBondContact N-O 3.35Å; Y486-Q488 HydrophobicContact CE1-CG 3.99Å; Y486-Q488 PolarHBondContact OH-NE2 2.94Å; Y486-V497 HydrophobicContact CD1-CG1 4.15Å; Y486-V497 HydrophobicContact CE1-CG1 4.14Å; Y486-S500 WeakPolarHBondContact OH-CB 3.43Å; Y486-A501 HydrophobicContact CD1-CB 3.47Å; Y486-A501 VanDerWaalsContact CD1-CB 3.47Å; Y486-A501 HydrophobicContact CD2-CB 4.36Å; Y486-A501 HydrophobicContact CE1-CB 4.06Å; Y486-A501 HydrophobicContact CG-CB 3.65Å; Y486-H504 HydrophobicContact CD2-CB 4.01Å; Y486-H504 HydrophobicContact CE2-CB 3.84Å; Y486-H504 AromaticContact CE2-CG 4Å
487E94.8Very high93.5Very high70 Ų7049.9 Ų49.933%0.32730%0.296SS..  trans-136.8149.4-179.860.2174.1-135.500111A456 V465 R469 L485A456-E487 HydrophobicContact CB-CB 4.15Å; V465-E487 HydrophobicContact CG1-CB 3.97Å; V465-E487 HydrophobicContact CG1-CG 4.38Å; V465-E487 WeakPolarHBondContact CG1-OE2 3.45Å; R469-E487 IonicContact CZ-OE1 3.66Å; R469-E487 IonicContact CZ-OE2 3.57Å; R469-E487 IonicContact NE-OE1 3.22Å; R469-E487 IonicContact NE-OE2 3.52Å; R469-E487 PolarHBondContact NE-OE2 3.06Å; R469-E487 VanDerWaalsContact NH2-CD 3.29Å; R469-E487 IonicContact NH2-OE1 2.77Å; R469-E487 PolarHBondContact NH2-OE1 3.03Å; R469-E487 IonicContact NH2-OE2 3.03Å; R469-E487 PolarHBondContact NH2-OE2 3.05Å; L485-E487 HydrophobicContact CD2-CG 4.42Å; L485-E487 WeakPolarHBondContact CD2-OE2 3.31Å; L485-E487 HydrophobicContact CG-CB 4.44Å
488Q93.1Very high93.7Very high72 Ų7248.2 Ų48.234%0.33628%0.282SS..  trans-126.416.4171.9-64.2-170.98.600112.5Y486 K492 V497Y486-Q488 HydrophobicContact CE1-CG 3.99Å; Y486-Q488 PolarHBondContact OH-NE2 2.94Å; Q488-K492 HydrophobicContact CB-CG 4.02Å; Q488-K492 WeakPolarHBondContact O-CE 3.3Å; Q488-K492 WeakPolarHBondContact O-CG 3.26Å; Q488-V497 HydrophobicContact CB-CG2 4.17Å; Q488-V497 HydrophobicContact CG-CG2 4.32Å
489G88.3Confident93.9Very high28 Ų2849.2 Ų49.229%0.28929%0.292SS..  trans73.5-170.9-17400000114.2
490Y90.7Very high94.1Very high90 Ų9050.2 Ų50.235%0.35330%0.301SS..THydrogen-bonded Turntrans-81157.1-176.2-62.6-72.1000113.4R461 G463 A464 V465 E466 K492R461-Y490 WeakPolarHBondContact O-CE1 3.24Å; G463-Y490 VanDerWaalsContact CA-OH 3.27Å; G463-Y490 WeakPolarHBondContact CA-OH 3.35Å; G463-Y490 PolarHBondContact N-OH 3.23Å; A464-Y490 PolarHBondContact N-OH 3.46Å; A464-Y490 VanDerWaalsContact N-OH 3.15Å; V465-Y490 HydrophobicContact CB-CE1 4.31Å; V465-Y490 HydrophobicContact CB-CE2 4.4Å; V465-Y490 HydrophobicContact CG2-CD1 4.31Å; V465-Y490 HydrophobicContact CG2-CE1 3.73Å; V465-Y490 HydrophobicContact CG2-CE2 4.38Å; V465-Y490 PolarHBondContact N-OH 2.99Å; V465-Y490 VanDerWaalsContact N-OH 3.11Å; E466-Y490 PolarHBondContact OE2-OH 2.91Å; Y490-K492 VanDerWaalsContact C-N 3.3Å; Y490-K492 PolarHBondContact O-N 3.35Å
491G87Confident94.4Very high72 Ų7245.5 Ų45.574%0.74227%0.271SS*.THydrogen-bonded Turntrans75.59174.100000116T459T459-G491 PolarHBondContact O-N 3.22Å
492K89.5Confident94.6Very high108 Ų10843.9 Ų43.947%0.4725%0.247SC..SBendtrans-86.1156.9174.5-57.8-63.1-176.71770111.8T459 Q488 Y490 A494 V497T459-K492 WeakPolarHBondContact CB-O 3.25Å; T459-K492 HydrophobicContact CG2-CB 4.23Å; T459-K492 PolarHBondContact OG1-O 3.49Å; Q488-K492 HydrophobicContact CB-CG 4.02Å; Q488-K492 WeakPolarHBondContact O-CE 3.3Å; Q488-K492 WeakPolarHBondContact O-CG 3.26Å; Y490-K492 VanDerWaalsContact C-N 3.3Å; Y490-K492 PolarHBondContact O-N 3.35Å; K492-A494 PolarHBondContact O-N 3.27Å; K492-V497 HydrophobicContact CB-CG2 3.78Å
493D92.9Very high94.6Very high65 Ų6542.8 Ų42.835%0.34825%0.253SS..  trans-68.7113.4172.8-179.711.8000110.1A495 A496 V497 K533D493-A495 PolarHBondContact O-N 3.05Å; D493-A495 PolarHBondContact OD1-N 2.98Å; D493-A496 HydrophobicContact CB-CB 4.16Å; D493-A496 PolarHBondContact O-N 3.16Å; D493-V497 WeakPolarHBondContact O-CG2 3.44Å; D493-V497 PolarHBondContact O-N 2.59Å; D493-K533 IonicContact OD1-NZ 3.95Å; D493-K533 IonicContact OD2-NZ 2.66Å; D493-K533 PolarHBondContact OD2-NZ 3.37Å
494A94.3Very high94.6Very high12 Ų1245.2 Ų45.210%0.09926%0.263CS..Hα-helixtrans-54.4-35.9-17900000112.7C457 K492 A496 V497 A498 L534C457-A494 HydrophobicContact CB-CB 4.11Å; C457-A494 WeakPolarHBondContact O-CB 3.28Å; K492-A494 PolarHBondContact O-N 3.27Å; A494-A496 VanDerWaalsContact C-N 3.34Å; A494-A496 PolarHBondContact O-N 2.96Å; A494-V497 PolarHBondContact O-N 3.47Å; A494-A498 WeakPolarHBondContact O-CB 3.46Å; A494-A498 PolarHBondContact O-N 2.86Å; A494-L534 HydrophobicContact CB-CD1 3.97Å
495A94.5Very high94.5Very high2 Ų241.5 Ų41.52%0.01725%0.246CC..Hα-helixtrans-65.4-37.5178.400000112.4D493 A499 K533 L534 N538D493-A495 PolarHBondContact O-N 3.05Å; D493-A495 PolarHBondContact OD1-N 2.98Å; A495-A499 PolarHBondContact O-N 3.5Å; A495-A499 VanDerWaalsContact O-N 3.14Å; A495-K533 HydrophobicContact CB-CD 4.26Å; A495-K533 HydrophobicContact CB-CG 4.25Å; A495-L534 HydrophobicContact CB-CB 4.1Å; A495-N538 PolarHBondContact O-ND2 3.45Å; A495-N538 VanDerWaalsContact O-ND2 3.11Å
496A95.6Very high94.4Very high45 Ų4544.6 Ų44.637%0.37226%0.262SS..Hα-helixtrans-76.2-36.4178.800000112.2D493 A494 A499 S500D493-A496 HydrophobicContact CB-CB 4.16Å; D493-A496 PolarHBondContact O-N 3.16Å; A494-A496 VanDerWaalsContact C-N 3.34Å; A494-A496 PolarHBondContact O-N 2.96Å; A496-A499 PolarHBondContact O-N 2.84Å; A496-S500 WeakPolarHBondContact O-CB 3.22Å; A496-S500 PolarHBondContact O-N 3.5Å; A496-S500 PolarHBondContact O-OG 3.45Å
497V96.1Very high94.3Very high1 Ų148.9 Ų48.91%0.00629%0.288CS..Hα-helixtrans-61.9-46.5173.3178.80000110.1T459 Y486 Q488 K492 D493 A494 A499 S500 A501T459-V497 HydrophobicContact CG2-CG2 4.44Å; Y486-V497 HydrophobicContact CD1-CG1 4.15Å; Y486-V497 HydrophobicContact CE1-CG1 4.14Å; Q488-V497 HydrophobicContact CB-CG2 4.17Å; Q488-V497 HydrophobicContact CG-CG2 4.32Å; K492-V497 HydrophobicContact CB-CG2 3.78Å; D493-V497 WeakPolarHBondContact O-CG2 3.44Å; D493-V497 PolarHBondContact O-N 2.59Å; A494-V497 PolarHBondContact O-N 3.47Å; V497-A499 PolarHBondContact O-N 3.04Å; V497-S500 PolarHBondContact O-N 3.29Å; V497-A501 WeakPolarHBondContact O-CB 3.29Å; V497-A501 PolarHBondContact O-N 2.88Å
498A97.1Very high94.2Very high0 Ų048 Ų480%029%0.289CS..Hα-helixtrans-58.6-47.1175.300000112.3A494 S500 A501 I502 I515 L534A494-A498 WeakPolarHBondContact O-CB 3.46Å; A494-A498 PolarHBondContact O-N 2.86Å; A498-S500 VanDerWaalsContact C-N 3.3Å; A498-S500 PolarHBondContact O-N 2.92Å; A498-A501 WeakPolarHBondContact O-CB 3.19Å; A498-A501 PolarHBondContact O-N 3.4Å; A498-I502 WeakPolarHBondContact O-CG1 3.41Å; A498-I502 PolarHBondContact O-N 2.97Å; A498-I515 HydrophobicContact CB-CD1 4.11Å; A498-I515 HydrophobicContact CB-CG2 4.23Å; A498-L534 HydrophobicContact CB-CD1 4.32Å; A498-L534 HydrophobicContact CB-CG 4.25Å
499A96.6Very high94.2Very high32 Ų3251.9 Ų51.926%0.26431%0.307SS..Hα-helixtrans-60.9-41.1179.600000112.2A495 A496 V497 S503 N538A495-A499 PolarHBondContact O-N 3.5Å; A495-A499 VanDerWaalsContact O-N 3.14Å; A496-A499 PolarHBondContact O-N 2.84Å; V497-A499 PolarHBondContact O-N 3.04Å; A499-S503 WeakPolarHBondContact O-CB 3.43Å; A499-S503 PolarHBondContact O-N 3.29Å; A499-S503 PolarHBondContact O-OG 3.41Å; A499-N538 WeakPolarHBondContact CA-OD1 3.46Å; A499-N538 WeakPolarHBondContact CB-OD1 3.26Å; A499-N538 PolarHBondContact N-OD1 2.97Å
500S97Very high94.6Very high42 Ų4251.6 Ų51.629%0.29430%0.298SS..Hα-helixtrans-69.6-37.7178.1-50.50000111.5Y486 A496 V497 A498 S503 H504Y486-S500 WeakPolarHBondContact OH-CB 3.43Å; A496-S500 WeakPolarHBondContact O-CB 3.22Å; A496-S500 PolarHBondContact O-N 3.5Å; A496-S500 PolarHBondContact O-OG 3.45Å; V497-S500 PolarHBondContact O-N 3.29Å; A498-S500 VanDerWaalsContact C-N 3.3Å; A498-S500 PolarHBondContact O-N 2.92Å; S500-S503 PolarHBondContact O-N 3.48Å; S500-H504 VanDerWaalsContact O-CB 3.25Å; S500-H504 WeakPolarHBondContact O-CB 3.28Å; S500-H504 PolarHBondContact O-N 3.3Å
501A97.4Very high94.9Very high0 Ų048 Ų480%029%0.285CS..Hα-helixtrans-64.3-46.6175.600000111.9A455 Y486 V497 A498 S503 H504 A505A455-A501 HydrophobicContact CB-CB 3.51Å; Y486-A501 HydrophobicContact CD1-CB 3.47Å; Y486-A501 VanDerWaalsContact CD1-CB 3.47Å; Y486-A501 HydrophobicContact CD2-CB 4.36Å; Y486-A501 HydrophobicContact CE1-CB 4.06Å; Y486-A501 HydrophobicContact CG-CB 3.65Å; V497-A501 WeakPolarHBondContact O-CB 3.29Å; V497-A501 PolarHBondContact O-N 2.88Å; A498-A501 WeakPolarHBondContact O-CB 3.19Å; A498-A501 PolarHBondContact O-N 3.4Å; A501-S503 VanDerWaalsContact C-N 3.34Å; A501-S503 PolarHBondContact O-N 3.47Å; A501-H504 PolarHBondContact O-N 2.96Å; A501-A505 VanDerWaalsContact O-CB 3.31Å; A501-A505 WeakPolarHBondContact O-CB 3.31Å; A501-A505 PolarHBondContact O-N 3.22Å
502I96.5Very high95.4Very high30 Ų3044.6 Ų44.615%0.15425%0.25CC..Hα-helixtrans-60.3-46.1176.8-66166.3000110.5A498 H504 A505 L506 V513 I515 N538A498-I502 WeakPolarHBondContact O-CG1 3.41Å; A498-I502 PolarHBondContact O-N 2.97Å; I502-H504 VanDerWaalsContact C-N 3.33Å; I502-H504 PolarHBondContact O-N 3.25Å; I502-A505 PolarHBondContact O-N 3.46Å; I502-L506 WeakPolarHBondContact O-CB 3.49Å; I502-L506 PolarHBondContact O-N 2.96Å; I502-V513 HydrophobicContact CG1-CB 4.47Å; I502-V513 HydrophobicContact CG1-CG1 4.14Å; I502-V513 HydrophobicContact CG1-CG2 4.5Å; I502-I515 HydrophobicContact CD1-CD1 4.2Å; I502-N538 HydrophobicContact CD1-CB 3.92Å
503S96.1Very high95.9Very high67 Ų6739.5 Ų39.547%0.46923%0.227SC..Hα-helixtrans-61.8-41.6177.6-57.90000112A499 S500 A501 N507A499-S503 WeakPolarHBondContact O-CB 3.43Å; A499-S503 PolarHBondContact O-N 3.29Å; A499-S503 PolarHBondContact O-OG 3.41Å; S500-S503 PolarHBondContact O-N 3.48Å; A501-S503 VanDerWaalsContact C-N 3.34Å; A501-S503 PolarHBondContact O-N 3.47Å; S503-N507 VanDerWaalsContact O-CG 3.29Å; S503-N507 PolarHBondContact O-N 3.44Å; S503-N507 PolarHBondContact O-ND2 3.29Å; S503-N507 VanDerWaalsContact O-ND2 3.13Å
504H96.5Very high96.1Very high65 Ų6536.4 Ų36.430%0.30121%0.211SC..Hα-helixtrans-67.7-43.2177.8-174.7-87.3000111.7M453 Y486 S500 A501 I502 L506 N507 S508M453-H504 WeakPolarHBondContact CE-ND1 3.25Å; M453-H504 HydrophobicContact SD-CB 4.4Å; Y486-H504 HydrophobicContact CD2-CB 4.01Å; Y486-H504 HydrophobicContact CE2-CB 3.84Å; Y486-H504 AromaticContact CE2-CG 4Å; S500-H504 VanDerWaalsContact O-CB 3.25Å; S500-H504 WeakPolarHBondContact O-CB 3.28Å; S500-H504 PolarHBondContact O-N 3.3Å; A501-H504 PolarHBondContact O-N 2.96Å; I502-H504 VanDerWaalsContact C-N 3.33Å; I502-H504 PolarHBondContact O-N 3.25Å; H504-L506 PolarHBondContact O-N 2.81Å; H504-N507 PolarHBondContact O-N 2.89Å; H504-S508 PolarHBondContact CE1-OG 2.77Å; H504-S508 WeakPolarHBondContact O-CB 3.23Å; H504-S508 PolarHBondContact O-N 3Å; H504-S508 PolarHBondContact O-OG 2.89Å
505A96.4Very high96.3Very high0 Ų035.8 Ų35.80%021%0.206CC..Hα-helixtrans-58.8-44.6176.100000112.5M453 A501 I502 S508 Q509 F510 V513M453-A505 HydrophobicContact CB-CB 4.13Å; M453-A505 HydrophobicContact CE-CB 4.09Å; M453-A505 HydrophobicContact CG-CB 4.5Å; M453-A505 HydrophobicContact SD-CB 3.68Å; A501-A505 VanDerWaalsContact O-CB 3.31Å; A501-A505 WeakPolarHBondContact O-CB 3.31Å; A501-A505 PolarHBondContact O-N 3.22Å; I502-A505 PolarHBondContact O-N 3.46Å; A505-S508 CarbonylContact O-C 3.5Å; A505-S508 PolarHBondContact O-N 3.23Å; A505-Q509 PolarHBondContact O-N 2.83Å; A505-F510 HydrophobicContact CB-CB 3.99Å; A505-F510 PolarHBondContact O-N 3.24Å; A505-V513 HydrophobicContact CB-CG2 3.19Å
506L94.2Very high96.5Very high94 Ų9435.7 Ų35.749%0.49221%0.205SC..Hα-helixtrans-60.4-46.3176.5-175.865000111.6K419 I502 H504 S508 Q509K419-L506 WeakPolarHBondContact O-CD1 3.4Å; I502-L506 WeakPolarHBondContact O-CB 3.49Å; I502-L506 PolarHBondContact O-N 2.96Å; H504-L506 PolarHBondContact O-N 2.81Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.82Å; L506-Q509 PolarHBondContact O-N 3.39Å
507N94.9Very high96.5Very high132 Ų13233.6 Ų33.671%0.70619%0.187SC*.Hα-helixtrans-67.6-33.9178.8-69.6-28.8000112.9S503 H504 Q509S503-N507 VanDerWaalsContact O-CG 3.29Å; S503-N507 PolarHBondContact O-N 3.44Å; S503-N507 PolarHBondContact O-ND2 3.29Å; S503-N507 VanDerWaalsContact O-ND2 3.13Å; H504-N507 PolarHBondContact O-N 2.89Å; N507-Q509 VanDerWaalsContact C-N 3.34Å
508S94Very high96.3Very high50 Ų5033.9 Ų33.935%0.3519%0.19SC..THydrogen-bonded Turntrans-90.78.2179.3-61.30000113.9H504 A505 L506 F510H504-S508 PolarHBondContact CE1-OG 2.77Å; H504-S508 WeakPolarHBondContact O-CB 3.23Å; H504-S508 PolarHBondContact O-N 3Å; H504-S508 PolarHBondContact O-OG 2.89Å; A505-S508 CarbonylContact O-C 3.5Å; A505-S508 PolarHBondContact O-N 3.23Å; L506-S508 VanDerWaalsContact C-N 3.34Å; L506-S508 PolarHBondContact O-N 2.82Å; S508-F510 VanDerWaalsContact C-N 3.34Å; S508-F510 PolarHBondContact O-N 2.83Å
509Q93.1Very high96.1Very high154 Ų15434.3 Ų34.372%0.7220%0.195SC*.THydrogen-bonded Turntrans56.941.9177.6-55.6179.5-19.400113.8A505 L506 N507A505-Q509 PolarHBondContact O-N 2.83Å; L506-Q509 PolarHBondContact O-N 3.39Å; N507-Q509 VanDerWaalsContact C-N 3.34Å
510F96.7Very high95.7Very high23 Ų2333.3 Ų33.310%0.10118%0.184CC..  trans-80.1144.1166-76.5-94.6000110C421 K451 V452 M453 Q484 A505 S508C421-F510 PolarHBondContact SG-O 3.23Å; K451-F510 HydrophobicContact CB-CD1 3.79Å; K451-F510 HydrophobicContact CB-CE1 4.31Å; K451-F510 HydrophobicContact CB-CG 4.43Å; V452-F510 VanDerWaalsContact C-CD1 3.43Å; V452-F510 WeakPolarHBondContact O-CE1 3.46Å; M453-F510 HydrophobicContact CB-CB 4.36Å; M453-F510 HydrophobicContact CB-CD1 4.1Å; M453-F510 HydrophobicContact CB-CG 4.11Å; M453-F510 HydrophobicContact CE-CD2 3.42Å; M453-F510 VanDerWaalsContact CE-CD2 3.42Å; M453-F510 HydrophobicContact CE-CE2 3.45Å; M453-F510 VanDerWaalsContact CE-CE2 3.45Å; M453-F510 HydrophobicContact CE-CG 4.03Å; M453-F510 HydrophobicContact CE-CZ 4.11Å; Q484-F510 HydrophobicContact CB-CE1 3.88Å; Q484-F510 HydrophobicContact CB-CE2 4.37Å; Q484-F510 HydrophobicContact CB-CZ 3.47Å; Q484-F510 VanDerWaalsContact CB-CZ 3.47Å; Q484-F510 HydrophobicContact CG-CZ 4.39Å; Q484-F510 VanDerWaalsContact OE1-CZ 3.31Å; A505-F510 HydrophobicContact CB-CB 3.99Å; A505-F510 PolarHBondContact O-N 3.24Å; S508-F510 VanDerWaalsContact C-N 3.34Å; S508-F510 PolarHBondContact O-N 2.83Å
511D97Very high95.4Very high15 Ų1536 Ų368%0.0819%0.193CC..SBendtrans-82.2-34.5-178.5-59.3-58.5000111.3I412 K416 Y422 F450 K451I412-D511 HydrophobicContact CG2-CB 4.39Å; K416-D511 VanDerWaalsContact CD-OD1 3.23Å; K416-D511 WeakPolarHBondContact CD-OD1 3.23Å; K416-D511 WeakPolarHBondContact CE-OD1 3.41Å; K416-D511 IonicContact NZ-OD1 3.5Å; K416-D511 PolarHBondContact NZ-OD1 3.4Å; K416-D511 IonicContact NZ-OD2 2.82Å; K416-D511 PolarHBondContact NZ-OD2 3.13Å; Y422-D511 PolarHBondContact N-O 3.28Å; F450-D511 WeakPolarHBondContact CA-OD2 3.34Å; F450-D511 HydrophobicContact CB-CB 4.26Å; F450-D511 HydrophobicContact CD1-CB 3.99Å; K451-D511 PolarHBondContact N-OD2 3.14Å; K451-D511 PolarHBondContact O-N 3.37Å
512V97.9Very high94.8Very high0 Ų036.6 Ų36.60%020%0.196CC..EExtended strand (participates in β ladder)trans-135.6141.7-172.4-172.40000111.4I412 Y422 L445 F450 K451 V452 M453 L514I412-V512 HydrophobicContact CB-CG2 4.42Å; I412-V512 HydrophobicContact CD1-CG2 3.65Å; I412-V512 HydrophobicContact CG1-CG2 3.87Å; I412-V512 HydrophobicContact CG2-CG2 3.61Å; Y422-V512 CarbonylContact O-C 3.21Å; Y422-V512 VanDerWaalsContact O-CA 3.24Å; Y422-V512 WeakPolarHBondContact O-CA 3.44Å; Y422-V512 WeakPolarHBondContact O-CG1 3.45Å; L445-V512 HydrophobicContact CD1-CB 4.36Å; L445-V512 HydrophobicContact CD1-CG1 3.96Å; L445-V512 HydrophobicContact CD1-CG2 4.25Å; F450-V512 HydrophobicContact CB-CG2 4.42Å; K451-V512 PolarHBondContact O-N 3.02Å; K451-V512 VanDerWaalsContact O-N 3.1Å; V452-V512 WeakPolarHBondContact CA-O 3.17Å; V452-V512 HydrophobicContact CG2-CB 4.34Å; M453-V512 PolarHBondContact N-O 3.12Å; V512-L514 HydrophobicContact CG1-CD2 3.56Å; V512-L514 HydrophobicContact CG1-CG 4.15Å
513V98.3Very high94.3Very high0 Ų040.2 Ų40.20%022%0.216CC..EExtended strand (participates in β ladder)trans-116.3118.8168.11780000109.5C421 Y422 S423 V424 M453 A455 I502 A505 I515C421-V513 VanDerWaalsContact SG-CG2 3.59Å; Y422-V513 PolarHBondContact O-N 3.2Å; S423-V513 CarbonylContact C-O 3.57Å; S423-V513 WeakPolarHBondContact CA-O 3.32Å; V424-V513 PolarHBondContact N-O 3.04Å; M453-V513 HydrophobicContact CB-CG2 4.19Å; M453-V513 CarbonylContact O-C 3.6Å; M453-V513 VanDerWaalsContact O-CA 3.31Å; M453-V513 WeakPolarHBondContact O-CA 3.38Å; A455-V513 HydrophobicContact CB-CG1 4.22Å; I502-V513 HydrophobicContact CG1-CB 4.47Å; I502-V513 HydrophobicContact CG1-CG1 4.14Å; I502-V513 HydrophobicContact CG1-CG2 4.5Å; A505-V513 HydrophobicContact CB-CG2 3.19Å; V513-I515 HydrophobicContact CG1-CD1 4.46Å; V513-I515 HydrophobicContact CG1-CG1 3.89Å
514L98.4Very high93.9Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-103.4117.3174.6-55.5-175.9000109.8V424 F426 L438 I441 T442 L445 V452 M453 A455 V512V424-L514 HydrophobicContact CB-CD2 3.69Å; V424-L514 HydrophobicContact CG2-CD2 3.78Å; F426-L514 HydrophobicContact CE2-CB 4.05Å; F426-L514 HydrophobicContact CE2-CD2 4.03Å; F426-L514 HydrophobicContact CE2-CG 4.42Å; F426-L514 HydrophobicContact CZ-CD2 4.49Å; L438-L514 HydrophobicContact CD1-CB 3.93Å; L438-L514 HydrophobicContact CD2-CB 4Å; L438-L514 HydrophobicContact CD2-CD1 4.14Å; L438-L514 HydrophobicContact CG-CB 3.83Å; L438-L514 HydrophobicContact CG-CD1 4.09Å; I441-L514 HydrophobicContact CG2-CD1 4.09Å; T442-L514 VanDerWaalsContact OG1-CD1 3.3Å; T442-L514 WeakPolarHBondContact OG1-CD1 3.31Å; L445-L514 HydrophobicContact CD1-CD1 4.34Å; L445-L514 HydrophobicContact CD1-CD2 4.34Å; V452-L514 HydrophobicContact CG1-CD1 3.76Å; V452-L514 HydrophobicContact CG1-CG 3.73Å; M453-L514 PolarHBondContact O-N 3.21Å; A455-L514 PolarHBondContact N-O 3.25Å; V512-L514 HydrophobicContact CG1-CD2 3.56Å; V512-L514 HydrophobicContact CG1-CG 4.15Å
515I98.2Very high93.5Very high0 Ų042.2 Ų42.20%022%0.22CC..EExtended strand (participates in β ladder)trans-100.7106.1-173.1-57168.6000109V424 V425 F426 A455 C457 A498 I502 V513 T517 L534V424-I515 PolarHBondContact O-N 3.49Å; V425-I515 HydrophobicContact CG2-CB 4.1Å; V425-I515 HydrophobicContact CG2-CD1 3.75Å; V425-I515 HydrophobicContact CG2-CG1 4.46Å; V425-I515 HydrophobicContact CG2-CG2 4.41Å; F426-I515 PolarHBondContact N-O 3.41Å; A455-I515 HydrophobicContact CB-CG1 4.16Å; C457-I515 HydrophobicContact CB-CG2 4.02Å; A498-I515 HydrophobicContact CB-CD1 4.11Å; A498-I515 HydrophobicContact CB-CG2 4.23Å; I502-I515 HydrophobicContact CD1-CD1 4.2Å; V513-I515 HydrophobicContact CG1-CD1 4.46Å; V513-I515 HydrophobicContact CG1-CG1 3.89Å; I515-T517 HydrophobicContact CG2-CG2 4.14Å; I515-L534 HydrophobicContact CG2-CD1 4.41Å; I515-L534 HydrophobicContact CG2-CD2 4.47Å
516D97.7Very high93Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-81.3123.4173.2-165.220.6000109.7S435 L438 A455 C457 D458 L468S435-D516 VanDerWaalsContact CB-OD2 3.3Å; S435-D516 WeakPolarHBondContact CB-OD2 3.41Å; S435-D516 PolarHBondContact OG-OD2 3.21Å; L438-D516 HydrophobicContact CD1-CB 3.71Å; A455-D516 PolarHBondContact O-N 3.14Å; C457-D516 CarbonylContact C-O 3.51Å; C457-D516 WeakPolarHBondContact CA-O 3.34Å; C457-D516 WeakPolarHBondContact CB-O 3.42Å; C457-D516 PolarHBondContact N-O 3.32Å; D458-D516 PolarHBondContact N-O 2.82Å; L468-D516 HydrophobicContact CD1-CB 3.77Å
517T95.5Very high92.7Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-111.2152.4179780000111.1V425 F426 K434 I515 R520 L531 L534V425-T517 HydrophobicContact CG1-CG2 3.88Å; F426-T517 WeakPolarHBondContact O-CB 3.49Å; F426-T517 WeakPolarHBondContact O-CG2 3.45Å; F426-T517 PolarHBondContact O-N 3.13Å; F426-T517 PolarHBondContact O-OG1 3.18Å; K434-T517 WeakPolarHBondContact CE-O 3.28Å; I515-T517 HydrophobicContact CG2-CG2 4.14Å; T517-R520 VanDerWaalsContact CB-NH2 3.3Å; T517-R520 PolarHBondContact OG1-NH2 3.4Å; T517-L531 HydrophobicContact CG2-CD1 4.37Å; T517-L534 HydrophobicContact CG2-CD1 4.15Å
518A93.8Very high92.4Very high7 Ų737.5 Ų37.56%0.05820%0.199CC..  trans-52.8147.4173.800000112.2D458 F460 R520D458-A518 HydrophobicContact CB-CB 4.33Å; D458-A518 WeakPolarHBondContact OD1-CB 3.46Å; F460-A518 HydrophobicContact CB-CB 4.4Å; A518-R520 VanDerWaalsContact O-CZ 3.23Å; A518-R520 PolarHBondContact O-NE 3.13Å; A518-R520 PolarHBondContact O-NH2 2.96Å
519G91.6Very high92.1Very high10 Ų1040.5 Ų40.510%0.10320%0.203CC..  trans-66.5145.4164.800000110.6N430N430-G519 WeakPolarHBondContact OD1-CA 3.44Å; N430-G519 PolarHBondContact OD1-O 2.85Å; N430-G519 VanDerWaalsContact OD1-O 3.05Å
520R89.3Confident91.9Very high11 Ų1135 Ų354%0.04218%0.181CC..  trans-147.7138.3179.264.7-156.479.7-126.90.6110.8G428 V429 N430 T517 A518 L527 M528 F562G428-R520 PolarHBondContact O-N 2.79Å; V429-R520 WeakPolarHBondContact CA-O 3.33Å; N430-R520 PolarHBondContact OD1-N 2.88Å; T517-R520 VanDerWaalsContact CB-NH2 3.3Å; T517-R520 PolarHBondContact OG1-NH2 3.4Å; A518-R520 VanDerWaalsContact O-CZ 3.23Å; A518-R520 PolarHBondContact O-NE 3.13Å; A518-R520 PolarHBondContact O-NH2 2.96Å; R520-L527 HydrophobicContact CB-CB 3.83Å; R520-L527 HydrophobicContact CB-CD1 3.92Å; R520-L527 PolarHBondContact NH1-O 3.31Å; R520-M528 VanDerWaalsContact CD-SD 3.58Å; R520-M528 HydrophobicContact CG-SD 3.69Å; R520-F562 HydrophobicContact CG-CE1 4.15Å; R520-F562 HydrophobicContact CG-CZ 3.65Å
521M89Confident91.7Very high98 Ų9834 Ų3448%0.48318%0.177SC..  trans-67.9142.7169-63.8-61.6-70.100109D523 N524M521-D523 PolarHBondContact O-N 2.92Å; M521-N524 HydrophobicContact CB-CB 4.4Å; M521-N524 WeakPolarHBondContact O-CB 3.34Å; M521-N524 PolarHBondContact O-N 3.42Å
522Q85.1Confident91.4Very high13 Ų1333.4 Ų33.46%0.06117%0.174CC..THydrogen-bonded Turntrans-62.8-22.9-177.566.7-83.216.300113.5D557 Q558 K561 F562Q522-D557 WeakPolarHBondContact CG-OD2 3.24Å; Q522-D557 PolarHBondContact NE2-OD2 3.26Å; Q522-Q558 HydrophobicContact CG-CG 4.39Å; Q522-K561 HydrophobicContact CB-CB 3.79Å; Q522-K561 HydrophobicContact CB-CD 4Å; Q522-K561 HydrophobicContact CG-CB 4.11Å; Q522-K561 HydrophobicContact CG-CD 3.44Å; Q522-K561 VanDerWaalsContact CG-CD 3.44Å; Q522-K561 HydrophobicContact CG-CG 4.42Å; Q522-F562 HydrophobicContact CB-CD2 3.9Å; Q522-F562 HydrophobicContact CB-CE2 3.88Å
523D85.9Confident91Very high106 Ų10637.3 Ų37.357%0.56719%0.192SC*.THydrogen-bonded Turntrans-88.6-4.8176.8-61.5-40.8000114.3M521 E525 K561M521-D523 PolarHBondContact O-N 2.92Å; D523-E525 PolarHBondContact O-N 3.34Å; D523-K561 VanDerWaalsContact OD1-CD 3.31Å; D523-K561 WeakPolarHBondContact OD1-CD 3.49Å; D523-K561 WeakPolarHBondContact OD1-CE 3.48Å; D523-K561 IonicContact OD1-NZ 2.73Å; D523-K561 PolarHBondContact OD1-NZ 3.01Å; D523-K561 IonicContact OD2-NZ 3.57Å
524N88.7Confident90.8Very high61 Ų6137.4 Ų37.433%0.32619%0.192SC..  trans-84.284-177.2-167.7-42.7000110.8M521 P526 L527 M528M521-N524 HydrophobicContact CB-CB 4.4Å; M521-N524 WeakPolarHBondContact O-CB 3.34Å; M521-N524 PolarHBondContact O-N 3.42Å; N524-P526 WeakPolarHBondContact OD1-CD 3.37Å; N524-L527 HydrophobicContact CB-CB 4.24Å; N524-L527 HydrophobicContact CB-CD1 4.29Å; N524-L527 HydrophobicContact CB-CG 4.48Å; N524-L527 WeakPolarHBondContact ND2-CD1 3.18Å; N524-L527 PolarHBondContact O-N 3.44Å; N524-L527 WeakPolarHBondContact OD1-CG 3.46Å; N524-L527 PolarHBondContact OD1-N 3.42Å; N524-M528 WeakPolarHBondContact O-CG 3.43Å; N524-M528 PolarHBondContact O-N 3.42Å
525E87.1Confident90.5Very high113 Ų11337.6 Ų37.653%0.52819%0.193SC..Hα-helixtrans-50.9-45.8-177.1-176.7-161.7179.500113.8D523 L527 M528 R529D523-E525 PolarHBondContact O-N 3.34Å; E525-L527 PolarHBondContact O-N 3.01Å; E525-M528 PolarHBondContact O-N 3.46Å; E525-R529 VanDerWaalsContact O-CB 3.29Å; E525-R529 WeakPolarHBondContact O-CB 3.42Å; E525-R529 PolarHBondContact O-N 2.96Å; E525-R529 IonicContact OE1-CZ 3.58Å; E525-R529 IonicContact OE1-NH1 3.84Å; E525-R529 IonicContact OE1-NH2 2.63Å; E525-R529 PolarHBondContact OE1-NH2 3Å
526P87.7Confident90.1Very high84 Ų8443.9 Ų43.955%0.54522%0.217SC..Hα-helixtrans-57.1-44.9174.8-26.634000114.3N524 S530N524-P526 WeakPolarHBondContact OD1-CD 3.37Å; P526-S530 PolarHBondContact O-N 3.36Å; P526-S530 VanDerWaalsContact O-N 3.1Å
527L86.2Confident89.8Confident38 Ų3847.6 Ų47.620%0.19924%0.239CC..Hα-helixtrans-73.1-33.2-180-68.1-179.5000112.3R520 N524 E525 S530 L531R520-L527 HydrophobicContact CB-CB 3.83Å; R520-L527 HydrophobicContact CB-CD1 3.92Å; R520-L527 PolarHBondContact NH1-O 3.31Å; N524-L527 HydrophobicContact CB-CB 4.24Å; N524-L527 HydrophobicContact CB-CD1 4.29Å; N524-L527 HydrophobicContact CB-CG 4.48Å; N524-L527 WeakPolarHBondContact ND2-CD1 3.18Å; N524-L527 PolarHBondContact O-N 3.44Å; N524-L527 WeakPolarHBondContact OD1-CG 3.46Å; N524-L527 PolarHBondContact OD1-N 3.42Å; E525-L527 PolarHBondContact O-N 3.01Å; L527-S530 PolarHBondContact O-N 2.85Å; L527-L531 PolarHBondContact O-N 3.11Å; L527-L531 VanDerWaalsContact O-N 3.09Å
528M89.2Confident89.7Confident4 Ų448.6 Ų48.62%0.0225%0.245CC..Hα-helixtrans-70.1-42175.1-69.6-52.9-66.300111.7R520 N524 E525 S530 L531 G532 F562 A565R520-M528 VanDerWaalsContact CD-SD 3.58Å; R520-M528 HydrophobicContact CG-SD 3.69Å; N524-M528 WeakPolarHBondContact O-CG 3.43Å; N524-M528 PolarHBondContact O-N 3.42Å; E525-M528 PolarHBondContact O-N 3.46Å; M528-S530 VanDerWaalsContact C-N 3.3Å; M528-S530 PolarHBondContact O-N 3.02Å; M528-L531 HydrophobicContact CE-CD2 4.44Å; M528-L531 WeakPolarHBondContact O-CB 3.32Å; M528-L531 PolarHBondContact O-N 3.39Å; M528-L531 VanDerWaalsContact O-N 3.13Å; M528-G532 PolarHBondContact O-N 2.84Å; M528-F562 HydrophobicContact CE-CB 4.28Å; M528-F562 HydrophobicContact CE-CD1 3.83Å; M528-F562 HydrophobicContact CE-CD2 4.01Å; M528-F562 HydrophobicContact CE-CE1 4.15Å; M528-F562 HydrophobicContact CE-CE2 4.34Å; M528-F562 HydrophobicContact CE-CG 3.77Å; M528-F562 HydrophobicContact CE-CZ 4.41Å; M528-F562 HydrophobicContact SD-CD1 4.46Å; M528-F562 HydrophobicContact SD-CD2 4.4Å; M528-F562 HydrophobicContact SD-CE1 4.18Å; M528-F562 HydrophobicContact SD-CE2 4.15Å; M528-F562 HydrophobicContact SD-CZ 4.04Å; M528-A565 HydrophobicContact CB-CB 3.99Å; M528-A565 HydrophobicContact CE-CB 3.42Å; M528-A565 VanDerWaalsContact CE-CB 3.42Å; M528-A565 HydrophobicContact CG-CB 4.42Å
529R88.4Confident89.6Confident113 Ų11352 Ų5243%0.42627%0.268SS..Hα-helixtrans-59.1-41.2171.6-175.8-175.1-71112.9-3.5111.9E525 L531 G532 K533E525-R529 VanDerWaalsContact O-CB 3.29Å; E525-R529 WeakPolarHBondContact O-CB 3.42Å; E525-R529 PolarHBondContact O-N 2.96Å; E525-R529 IonicContact OE1-CZ 3.58Å; E525-R529 IonicContact OE1-NH1 3.84Å; E525-R529 IonicContact OE1-NH2 2.63Å; E525-R529 PolarHBondContact OE1-NH2 3Å; R529-L531 VanDerWaalsContact C-N 3.34Å; R529-G532 PolarHBondContact O-N 3.17Å; R529-K533 WeakPolarHBondContact O-CB 3.3Å; R529-K533 PolarHBondContact O-N 2.93Å
530S89.2Confident89.7Confident39 Ų3951.9 Ų51.927%0.27327%0.265SS..Hα-helixtrans-63.9-38.3175.3-174.50000112.4P526 L527 M528 L534P526-S530 PolarHBondContact O-N 3.36Å; P526-S530 VanDerWaalsContact O-N 3.1Å; L527-S530 PolarHBondContact O-N 2.85Å; M528-S530 VanDerWaalsContact C-N 3.3Å; M528-S530 PolarHBondContact O-N 3.02Å; S530-L534 PolarHBondContact O-N 2.9Å
531L92Very high90Very high2 Ų253.7 Ų53.71%0.0128%0.276CS..Hα-helixtrans-67.4-46.3175.8177.763.2000111.3C427 T517 L527 M528 R529 K533 L534 I535 F562 L566C427-L531 HydrophobicContact CB-CD1 4Å; C427-L531 HydrophobicContact CB-CD2 3.81Å; T517-L531 HydrophobicContact CG2-CD1 4.37Å; L527-L531 PolarHBondContact O-N 3.11Å; L527-L531 VanDerWaalsContact O-N 3.09Å; M528-L531 HydrophobicContact CE-CD2 4.44Å; M528-L531 WeakPolarHBondContact O-CB 3.32Å; M528-L531 PolarHBondContact O-N 3.39Å; M528-L531 VanDerWaalsContact O-N 3.13Å; R529-L531 VanDerWaalsContact C-N 3.34Å; L531-K533 VanDerWaalsContact C-N 3.31Å; L531-K533 PolarHBondContact O-N 2.92Å; L531-L534 WeakPolarHBondContact O-CB 3.16Å; L531-L534 PolarHBondContact O-N 2.97Å; L531-L534 VanDerWaalsContact O-N 3.11Å; L531-I535 HydrophobicContact CD1-CD1 3.97Å; L531-I535 HydrophobicContact CG-CD1 4.09Å; L531-I535 PolarHBondContact O-N 2.7Å; L531-F562 HydrophobicContact CD2-CD1 4.07Å; L531-F562 HydrophobicContact CD2-CE1 3.86Å; L531-L566 HydrophobicContact CD2-CD2 4.32Å; L531-L566 HydrophobicContact CG-CD2 4.14Å
532G90.1Very high90.2Very high2 Ų249.3 Ų49.32%0.02125%0.254CS..Hα-helixtrans-59-41.2175.100000112.3M528 R529 I535 R536M528-G532 PolarHBondContact O-N 2.84Å; R529-G532 PolarHBondContact O-N 3.17Å; G532-I535 PolarHBondContact O-N 3.2Å; G532-R536 VanDerWaalsContact O-CB 3.24Å; G532-R536 WeakPolarHBondContact O-CB 3.47Å; G532-R536 PolarHBondContact O-N 3.35Å
533K90.1Very high90.7Very high83 Ų8348.7 Ų48.736%0.36125%0.251SS..Hα-helixtrans-59.4-46.7171.7-175.9-168.8177.4-166.70111.8D493 A495 R529 L531 R536 V537D493-K533 IonicContact OD1-NZ 3.95Å; D493-K533 IonicContact OD2-NZ 2.66Å; D493-K533 PolarHBondContact OD2-NZ 3.37Å; A495-K533 HydrophobicContact CB-CD 4.26Å; A495-K533 HydrophobicContact CB-CG 4.25Å; R529-K533 WeakPolarHBondContact O-CB 3.3Å; R529-K533 PolarHBondContact O-N 2.93Å; L531-K533 VanDerWaalsContact C-N 3.31Å; L531-K533 PolarHBondContact O-N 2.92Å; K533-R536 PolarHBondContact O-N 3.49Å; K533-V537 HydrophobicContact CG-CG2 4.08Å; K533-V537 WeakPolarHBondContact O-CB 3.34Å; K533-V537 VanDerWaalsContact O-CG2 3.24Å; K533-V537 WeakPolarHBondContact O-CG2 3.38Å; K533-V537 PolarHBondContact O-N 3.35Å
534L93.2Very high91.2Very high2 Ų243.7 Ų43.71%0.0122%0.224CC..Hα-helixtrans-58.6-49179.4-178.6157.2000111V425 C457 A494 A495 A498 I515 T517 S530 L531 N538V425-L534 HydrophobicContact CG1-CD2 4.19Å; V425-L534 HydrophobicContact CG2-CD2 3.85Å; C457-L534 HydrophobicContact CB-CD1 4.4Å; A494-L534 HydrophobicContact CB-CD1 3.97Å; A495-L534 HydrophobicContact CB-CB 4.1Å; A498-L534 HydrophobicContact CB-CD1 4.32Å; A498-L534 HydrophobicContact CB-CG 4.25Å; I515-L534 HydrophobicContact CG2-CD1 4.41Å; I515-L534 HydrophobicContact CG2-CD2 4.47Å; T517-L534 HydrophobicContact CG2-CD1 4.15Å; S530-L534 PolarHBondContact O-N 2.9Å; L531-L534 WeakPolarHBondContact O-CB 3.16Å; L531-L534 PolarHBondContact O-N 2.97Å; L531-L534 VanDerWaalsContact O-N 3.11Å; L534-N538 WeakPolarHBondContact O-CB 3.44Å; L534-N538 PolarHBondContact O-N 2.89Å; L534-N538 VanDerWaalsContact O-N 3.14Å; L534-N538 PolarHBondContact O-ND2 3.32Å
535I92.6Very high91.5Very high3 Ų340.8 Ų40.82%0.01521%0.209CC..Hα-helixtrans-66.6-41.7-179.4-72.8162.9000111.1V425 L531 G532 S539 P540 V543 L566 R577V425-I535 HydrophobicContact CG1-CD1 4.49Å; V425-I535 HydrophobicContact CG1-CG1 4.34Å; L531-I535 HydrophobicContact CD1-CD1 3.97Å; L531-I535 HydrophobicContact CG-CD1 4.09Å; L531-I535 PolarHBondContact O-N 2.7Å; G532-I535 PolarHBondContact O-N 3.2Å; I535-S539 WeakPolarHBondContact O-CA 3.15Å; I535-S539 PolarHBondContact O-N 3.26Å; I535-P540 HydrophobicContact CG1-CG 4.48Å; I535-P540 HydrophobicContact CG2-CG 4.31Å; I535-P540 VanDerWaalsContact O-CD 3.3Å; I535-P540 WeakPolarHBondContact O-CD 3.49Å; I535-V543 HydrophobicContact CD1-CG1 3.85Å; I535-V543 HydrophobicContact CD1-CG2 4.19Å; I535-V543 HydrophobicContact CG1-CG2 4.26Å; I535-V543 HydrophobicContact CG2-CG2 4.25Å; I535-L566 HydrophobicContact CD1-CD1 4.08Å; I535-L566 HydrophobicContact CD1-CD2 3.37Å; I535-L566 HydrophobicContact CD1-CG 4.37Å; I535-R577 HydrophobicContact CG2-CB 4.11Å; I535-R577 HydrophobicContact CG2-CG 4.18Å
536R90.1Very high91.9Very high133 Ų13335.4 Ų35.450%0.50218%0.184SC..Hα-helixtrans-65.1-44.5178.4-174.9-17572.8172.45.1113.2G532 K533G532-R536 VanDerWaalsContact O-CB 3.24Å; G532-R536 WeakPolarHBondContact O-CB 3.47Å; G532-R536 PolarHBondContact O-N 3.35Å; K533-R536 PolarHBondContact O-N 3.49Å
537V90.9Very high92.2Very high78 Ų7831.4 Ų31.447%0.47316%0.158SC..Hα-helixtrans-72.5-34.2-175.6169.80000111.5K533K533-V537 HydrophobicContact CG-CG2 4.08Å; K533-V537 WeakPolarHBondContact O-CB 3.34Å; K533-V537 VanDerWaalsContact O-CG2 3.24Å; K533-V537 WeakPolarHBondContact O-CG2 3.38Å; K533-V537 PolarHBondContact O-N 3.35Å
538N92.9Very high92.6Very high21 Ų2131 Ų3111%0.11216%0.155CC..Hα-helixtrans-100.3-13-172.8-65.5-73.6000114A495 A499 I502 L534A495-N538 PolarHBondContact O-ND2 3.45Å; A495-N538 VanDerWaalsContact O-ND2 3.11Å; A499-N538 WeakPolarHBondContact CA-OD1 3.46Å; A499-N538 WeakPolarHBondContact CB-OD1 3.26Å; A499-N538 PolarHBondContact N-OD1 2.97Å; I502-N538 HydrophobicContact CD1-CB 3.92Å; L534-N538 WeakPolarHBondContact O-CB 3.44Å; L534-N538 PolarHBondContact O-N 2.89Å; L534-N538 VanDerWaalsContact O-N 3.14Å; L534-N538 PolarHBondContact O-ND2 3.32Å
539S92.3Very high92.7Very high79 Ų7930.8 Ų30.855%0.55215%0.154SC*.  trans38.964.6-179.6-64.10000112.9I535I535-S539 WeakPolarHBondContact O-CA 3.15Å; I535-S539 PolarHBondContact O-N 3.26Å
540P94.2Very high92.6Very high6 Ų629.7 Ų29.74%0.03916%0.156CC..  trans-57.8179.9-171.920.3-31.2000114.7S423 V425 I535 V543 R577S423-P540 WeakPolarHBondContact OG-CA 3.43Å; V425-P540 HydrophobicContact CB-CG 4.49Å; V425-P540 HydrophobicContact CG2-CB 3.79Å; V425-P540 HydrophobicContact CG2-CG 3.75Å; I535-P540 HydrophobicContact CG1-CG 4.48Å; I535-P540 HydrophobicContact CG2-CG 4.31Å; I535-P540 VanDerWaalsContact O-CD 3.3Å; I535-P540 WeakPolarHBondContact O-CD 3.49Å; P540-V543 HydrophobicContact CG-CG2 3.69Å; P540-R577 VanDerWaalsContact C-NH2 3.27Å; P540-R577 VanDerWaalsContact CD-NH1 3.3Å; P540-R577 PolarHBondContact O-NH1 2.96Å; P540-R577 PolarHBondContact O-NH2 3.22Å
541D94.4Very high92.5Very high50 Ų5028.9 Ų28.927%0.26715%0.149SC..SBendtrans-94.1-31.2171.4-61.9-84.3000111.3H420 Y422 S423 R577H420-D541 IonicContact CD2-OD1 3.2Å; H420-D541 PolarHBondContact CD2-OD1 3.03Å; H420-D541 IonicContact CD2-OD2 3.34Å; H420-D541 IonicContact CE1-OD2 3.32Å; H420-D541 VanDerWaalsContact NE2-CG 3.29Å; H420-D541 IonicContact NE2-OD1 2.7Å; H420-D541 PolarHBondContact NE2-OD1 3.29Å; H420-D541 IonicContact NE2-OD2 2.89Å; H420-D541 PolarHBondContact NE2-OD2 3.18Å; Y422-D541 WeakPolarHBondContact CA-OD2 3.37Å; Y422-D541 HydrophobicContact CD1-CB 4.02Å; Y422-D541 HydrophobicContact CD2-CB 3.58Å; Y422-D541 HydrophobicContact CE1-CB 3.83Å; Y422-D541 HydrophobicContact CE2-CB 3.38Å; Y422-D541 HydrophobicContact CG-CB 3.91Å; S423-D541 PolarHBondContact N-OD2 3.39Å; S423-D541 WeakPolarHBondContact O-CA 3.42Å; S423-D541 PolarHBondContact O-N 3.4Å; S423-D541 PolarHBondContact OG-N 3.22Å; S423-D541 PolarHBondContact OG-OD2 2.94Å; D541-R577 PolarHBondContact O-NH2 2.87Å
542L94.8Very high91.8Very high5 Ų529.5 Ų29.53%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-141.9129.9178.1-175.569.1000112.2I406 L408 Y422 S423 V424 V425 L544 D580I406-L542 HydrophobicContact CD1-CD1 3.92Å; I406-L542 HydrophobicContact CG2-CD1 4.3Å; I406-L542 HydrophobicContact CG2-CD2 4.48Å; L408-L542 HydrophobicContact CD1-CD2 4.21Å; Y422-L542 HydrophobicContact CE1-CB 4.02Å; S423-L542 PolarHBondContact O-N 3.04Å; V424-L542 CarbonylContact C-O 3.5Å; V424-L542 WeakPolarHBondContact CA-O 3.45Å; V424-L542 HydrophobicContact CG1-CB 4.2Å; V424-L542 HydrophobicContact CG1-CD2 4.09Å; V424-L542 HydrophobicContact CG1-CG 4.32Å; V424-L542 HydrophobicContact CG2-CB 4.24Å; V424-L542 HydrophobicContact CG2-CD2 4.49Å; V425-L542 PolarHBondContact N-O 2.74Å; L542-L544 HydrophobicContact CD1-CD2 4.26Å; L542-L544 HydrophobicContact CD2-CD1 3.97Å; L542-L544 HydrophobicContact CD2-CD2 3.85Å; L542-L544 HydrophobicContact CD2-CG 3.8Å; L542-L544 HydrophobicContact CG-CD2 3.98Å; L542-L544 HydrophobicContact CG-CG 3.94Å; L542-D580 HydrophobicContact CD1-CB 3.5Å
543V95Very high91.5Very high0 Ų034 Ų340%018%0.18CC..EExtended strand (participates in β ladder)trans-107.8109.1170.5-175.40000109.7I535 P540 R577 L579 D580 G581I535-V543 HydrophobicContact CD1-CG1 3.85Å; I535-V543 HydrophobicContact CD1-CG2 4.19Å; I535-V543 HydrophobicContact CG1-CG2 4.26Å; I535-V543 HydrophobicContact CG2-CG2 4.25Å; P540-V543 HydrophobicContact CG-CG2 3.69Å; V543-R577 HydrophobicContact CG2-CG 4.49Å; V543-L579 HydrophobicContact CG1-CD2 3.76Å; V543-D580 PolarHBondContact N-OD2 3.26Å; V543-D580 PolarHBondContact O-N 2.99Å; V543-G581 PolarHBondContact O-N 2.7Å
544L95.9Very high91.3Very high1 Ų135.4 Ų35.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-98125.6178.2-68.4179.9000111V424 V425 F426 C427 L542 G581 V609 F610V424-L544 HydrophobicContact CG1-CD1 3.94Å; V424-L544 HydrophobicContact CG1-CG 4.17Å; V425-L544 PolarHBondContact O-N 2.88Å; F426-L544 HydrophobicContact CD1-CB 4.49Å; F426-L544 HydrophobicContact CE1-CD1 3.89Å; F426-L544 HydrophobicContact CZ-CD1 4.19Å; C427-L544 PolarHBondContact N-O 2.9Å; C427-L544 PolarHBondContact SG-O 2.61Å; C427-L544 VanDerWaalsContact SG-O 3.39Å; L542-L544 HydrophobicContact CD1-CD2 4.26Å; L542-L544 HydrophobicContact CD2-CD1 3.97Å; L542-L544 HydrophobicContact CD2-CD2 3.85Å; L542-L544 HydrophobicContact CD2-CG 3.8Å; L542-L544 HydrophobicContact CG-CD2 3.98Å; L542-L544 HydrophobicContact CG-CG 3.94Å; L544-G581 WeakPolarHBondContact CA-O 3.33Å; L544-V609 HydrophobicContact CD2-CB 4.25Å; L544-V609 HydrophobicContact CD2-CG2 3.82Å; L544-F610 HydrophobicContact CD1-CD2 4.47Å
545F95.6Very high91Very high0 Ų035.3 Ų35.30%019%0.187CC..EExtended strand (participates in β ladder)trans-86.7120.6166.4179.5-94.6000110C427 Q558 L559 F562 L579 G581 I582 M583C427-F545 CarbonylContact O-C 3.57Å; C427-F545 WeakPolarHBondContact O-CA 3.48Å; F545-Q558 HydrophobicContact CZ-CB 4.15Å; F545-L559 HydrophobicContact CB-CD2 4.15Å; F545-L559 HydrophobicContact CD1-CD2 3.31Å; F545-L559 HydrophobicContact CD1-CG 4.14Å; F545-L559 HydrophobicContact CD2-CD2 3.97Å; F545-L559 HydrophobicContact CE1-CD1 4.48Å; F545-L559 HydrophobicContact CE1-CD2 3.54Å; F545-L559 HydrophobicContact CE1-CG 3.87Å; F545-L559 HydrophobicContact CE2-CD2 4.17Å; F545-L559 HydrophobicContact CG-CD2 3.53Å; F545-L559 HydrophobicContact CZ-CD2 3.97Å; F545-L559 HydrophobicContact CZ-CG 4.19Å; F545-F562 HydrophobicContact CD2-CB 4.49Å; F545-F562 HydrophobicContact CD2-CD1 4.07Å; F545-F562 HydrophobicContact CD2-CE1 4.48Å; F545-F562 HydrophobicContact CD2-CG 4.2Å; F545-F562 HydrophobicContact CE2-CB 4.44Å; F545-F562 HydrophobicContact CE2-CD1 4.08Å; F545-F562 HydrophobicContact CE2-CD2 4.04Å; F545-F562 HydrophobicContact CE2-CE1 4.31Å; F545-F562 HydrophobicContact CE2-CE2 4.25Å; F545-F562 AromaticContact CE2-CG 3.93Å; F545-F562 HydrophobicContact CE2-CG 3.93Å; F545-F562 HydrophobicContact CE2-CZ 4.38Å; F545-L579 HydrophobicContact CB-CD1 3.73Å; F545-L579 HydrophobicContact CB-CD2 3.97Å; F545-L579 HydrophobicContact CB-CG 4.36Å; F545-L579 HydrophobicContact CD2-CD1 4.13Å; F545-L579 HydrophobicContact CG-CD1 4.1Å; F545-G581 PolarHBondContact N-O 2.69Å; F545-I582 CarbonylContact O-C 3.54Å; F545-I582 WeakPolarHBondContact O-CA 3.46Å; F545-M583 PolarHBondContact O-N 3.16Å
546V96.2Very high90.6Very high0 Ų035.7 Ų35.70%019%0.189CC..EExtended strand (participates in β ladder)trans-95.4115.3177-169.90000108.4F426 C427 V432 K434 M583 T585F426-V546 HydrophobicContact CB-CG2 4.31Å; F426-V546 HydrophobicContact CD1-CG2 3.91Å; C427-V546 PolarHBondContact O-N 2.93Å; V432-V546 HydrophobicContact CB-CG1 4.37Å; V432-V546 HydrophobicContact CG2-CB 3.96Å; V432-V546 HydrophobicContact CG2-CG1 3.83Å; V432-V546 WeakPolarHBondContact CG2-O 3.39Å; K434-V546 HydrophobicContact CG-CB 3.89Å; K434-V546 HydrophobicContact CG-CG1 4.27Å; K434-V546 HydrophobicContact CG-CG2 3.95Å; V546-M583 WeakPolarHBondContact CA-O 3.47Å; V546-M583 HydrophobicContact CG2-CB 4.3Å; V546-T585 HydrophobicContact CG1-CG2 3.44Å; V546-T585 VanDerWaalsContact CG1-CG2 3.44Å
547G94.1Very high90.5Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-121.8156.3177.500000111.4M583 L584 T585G547-M583 PolarHBondContact N-O 3.14Å; G547-L584 CarbonylContact O-C 3.49Å; G547-T585 PolarHBondContact O-N 3.15Å; G547-T585 PolarHBondContact O-OG1 3.12Å
548E93.2Very high90.5Very high29 Ų2928.6 Ų28.614%0.13616%0.158CC..EExtended strand (participates in β ladder)trans-92.9142.8173.6-59.4175-164.600110.4G431 V432 L550 V551 K586G431-E548 VanDerWaalsContact O-OE1 3.06Å; V432-E548 WeakPolarHBondContact CA-OE1 3.48Å; V432-E548 HydrophobicContact CB-CG 3.75Å; V432-E548 HydrophobicContact CG1-CG 3.79Å; V432-E548 PolarHBondContact N-OE1 3.36Å; E548-L550 PolarHBondContact O-N 3.23Å; E548-V551 HydrophobicContact CB-CG2 3.99Å; E548-V551 WeakPolarHBondContact O-CG2 3.33Å; E548-V551 PolarHBondContact O-N 3.43Å; E548-K586 HydrophobicContact CB-CD 4.35Å; E548-K586 HydrophobicContact CG-CD 3.9Å; E548-K586 HydrophobicContact CG-CG 4.37Å; E548-K586 WeakPolarHBondContact OE1-CE 3.46Å; E548-K586 IonicContact OE1-NZ 2.97Å; E548-K586 PolarHBondContact OE1-NZ 2.84Å; E548-K586 WeakPolarHBondContact OE2-CD 3.33Å; E548-K586 WeakPolarHBondContact OE2-CE 3.44Å; E548-K586 IonicContact OE2-NZ 3.56Å; E548-K586 PolarHBondContact OE2-NZ 3.35Å
549A91.8Very high90.4Very high0 Ų027.6 Ų27.60%015%0.153CC..THydrogen-bonded Turntrans-65.7-21.917700000113.2N356 V551 L584 T585 F587 I590 A596N356-A549 PolarHBondContact ND2-O 3.11Å; A549-V551 PolarHBondContact O-N 3.42Å; A549-L584 HydrophobicContact CB-CD1 4.19Å; A549-L584 HydrophobicContact CB-CD2 4.26Å; A549-L584 HydrophobicContact CB-CG 4.04Å; A549-T585 WeakPolarHBondContact CB-O 3.38Å; A549-T585 PolarHBondContact N-O 2.92Å; A549-F587 HydrophobicContact CB-CD2 4.11Å; A549-I590 HydrophobicContact CB-CD1 3.82Å; A549-I590 HydrophobicContact CB-CG1 4.03Å; A549-I590 HydrophobicContact CB-CG2 3.86Å; A549-A596 WeakPolarHBondContact O-CB 3.32Å
550L87.3Confident90.2Very high90 Ų9028.3 Ų28.347%0.47115%0.147SC..THydrogen-bonded Turntrans-70.4-15.2177.4-69.4162.9000113.3E548 G552 K586 T589 I590E548-L550 PolarHBondContact O-N 3.23Å; L550-G552 PolarHBondContact O-N 2.9Å; L550-K586 HydrophobicContact CD1-CD 4.32Å; L550-T589 WeakPolarHBondContact CD1-OG1 3.3Å; L550-T589 WeakPolarHBondContact CG-OG1 3.44Å; L550-I590 HydrophobicContact CD2-CG2 3.65Å; L550-I590 HydrophobicContact CG-CG2 3.92Å
551V85.3Confident90Very high22 Ų2231.1 Ų31.113%0.13316%0.159CC..  trans-79.5115-174.1-172.20000109.9E548 A549 E554 A555 A596E548-V551 HydrophobicContact CB-CG2 3.99Å; E548-V551 WeakPolarHBondContact O-CG2 3.33Å; E548-V551 PolarHBondContact O-N 3.43Å; A549-V551 PolarHBondContact O-N 3.42Å; V551-E554 HydrophobicContact CG1-CB 3.63Å; V551-A555 HydrophobicContact CB-CB 4.29Å; V551-A555 HydrophobicContact CG1-CB 3.8Å; V551-A596 VanDerWaalsContact O-CB 3.24Å; V551-A596 WeakPolarHBondContact O-CB 3.3Å
552G77.6Confident89.8Confident15 Ų1528.8 Ų28.816%0.15515%0.146CC..  trans-82.1-116172.900000112.4N356 L550 E554 A555N356-G552 VanDerWaalsContact OD1-CA 3.24Å; N356-G552 WeakPolarHBondContact OD1-CA 3.49Å; L550-G552 PolarHBondContact O-N 2.9Å; G552-E554 VanDerWaalsContact C-N 3.27Å; G552-E554 PolarHBondContact O-N 3.22Å; G552-A555 VanDerWaalsContact O-CB 3.29Å; G552-A555 WeakPolarHBondContact O-CB 3.37Å; G552-A555 PolarHBondContact O-N 2.95Å; G552-A555 VanDerWaalsContact O-N 3.1Å
553N84.6Confident89.4Confident98 Ų9829.8 Ų29.852%0.52415%0.152SC..THydrogen-bonded Turntrans-57.8-33.3-175.6-66.8-38.2000114.4A358 A359 A555 I556A358-N553 WeakPolarHBondContact CA-OD1 3.31Å; A358-N553 WeakPolarHBondContact CB-OD1 3.29Å; A359-N553 PolarHBondContact N-OD1 2.84Å; N553-A555 PolarHBondContact O-N 3.37Å; N553-A555 VanDerWaalsContact O-N 3.12Å; N553-I556 PolarHBondContact O-N 3.35Å
554E86.1Confident89Confident111 Ų11134.8 Ų34.852%0.51918%0.175SC..Hα-helixtrans-60.6-21.4178.9-68.6-64.8131.800113.3V551 G552 I556 D557 Q558V551-E554 HydrophobicContact CG1-CB 3.63Å; G552-E554 VanDerWaalsContact C-N 3.27Å; G552-E554 PolarHBondContact O-N 3.22Å; E554-I556 PolarHBondContact O-N 3.04Å; E554-D557 PolarHBondContact O-N 2.94Å; E554-Q558 WeakPolarHBondContact O-CB 3.49Å; E554-Q558 VanDerWaalsContact O-CG 3.24Å; E554-Q558 WeakPolarHBondContact O-CG 3.41Å; E554-Q558 PolarHBondContact O-N 2.74Å
555A85.4Confident88.5Confident0 Ų035.3 Ų35.30%018%0.18CC..Hα-helixtrans-62.1-34.7179.400000111.3V551 G552 N553 L559 M600V551-A555 HydrophobicContact CB-CB 4.29Å; V551-A555 HydrophobicContact CG1-CB 3.8Å; G552-A555 VanDerWaalsContact O-CB 3.29Å; G552-A555 WeakPolarHBondContact O-CB 3.37Å; G552-A555 PolarHBondContact O-N 2.95Å; G552-A555 VanDerWaalsContact O-N 3.1Å; N553-A555 PolarHBondContact O-N 3.37Å; N553-A555 VanDerWaalsContact O-N 3.12Å; A555-L559 WeakPolarHBondContact O-CB 3.48Å; A555-L559 WeakPolarHBondContact O-CG 3.31Å; A555-L559 PolarHBondContact O-N 3.48Å; A555-L559 VanDerWaalsContact O-N 3.14Å; A555-M600 HydrophobicContact CB-CE 3.84Å; A555-M600 HydrophobicContact CB-CG 3.95Å
556I85.4Confident88Confident12 Ų1235.4 Ų35.46%0.06218%0.18CC..Hα-helixtrans-63.6-54.4177.5-57.3-174.5000109.9A358 E360 V361 N553 E554 Q558 L559 Q560 I603A358-I556 HydrophobicContact CB-CD1 3.54Å; A358-I556 HydrophobicContact CB-CG1 3.98Å; E360-I556 HydrophobicContact CB-CD1 4.4Å; V361-I556 HydrophobicContact CG2-CD1 3.82Å; N553-I556 PolarHBondContact O-N 3.35Å; E554-I556 PolarHBondContact O-N 3.04Å; I556-Q558 PolarHBondContact O-N 3Å; I556-L559 PolarHBondContact O-N 3.41Å; I556-Q560 HydrophobicContact CG2-CG 4.34Å; I556-Q560 WeakPolarHBondContact O-CB 3.41Å; I556-Q560 WeakPolarHBondContact O-CG 3.41Å; I556-Q560 PolarHBondContact O-N 3.14Å; I556-I603 HydrophobicContact CB-CG1 4.34Å; I556-I603 HydrophobicContact CD1-CD1 4.37Å; I556-I603 HydrophobicContact CD1-CG1 4.43Å; I556-I603 HydrophobicContact CG1-CD1 4.39Å; I556-I603 HydrophobicContact CG1-CG1 3.98Å; I556-I603 HydrophobicContact CG2-CD1 3.86Å; I556-I603 HydrophobicContact CG2-CG1 3.97Å; I556-I603 HydrophobicContact CG2-CG2 4.43Å
557D88.7Confident87.4Confident46 Ų4637.2 Ų37.225%0.24620%0.195CC..Hα-helixtrans-61.7-44.7-176-177.467.7000111.4Q522 E554 L559 K561Q522-D557 WeakPolarHBondContact CG-OD2 3.24Å; Q522-D557 PolarHBondContact NE2-OD2 3.26Å; E554-D557 PolarHBondContact O-N 2.94Å; D557-L559 PolarHBondContact O-N 3.02Å; D557-K561 WeakPolarHBondContact O-CB 3.31Å; D557-K561 WeakPolarHBondContact O-CG 3.45Å; D557-K561 PolarHBondContact O-N 3.23Å; D557-K561 WeakPolarHBondContact OD1-CD 3.34Å; D557-K561 WeakPolarHBondContact OD1-CE 3.38Å; D557-K561 IonicContact OD1-NZ 3.69Å; D557-K561 PolarHBondContact OD1-NZ 3.4Å; D557-K561 WeakPolarHBondContact OD2-CD 3.27Å; D557-K561 WeakPolarHBondContact OD2-CE 3.5Å; D557-K561 IonicContact OD2-NZ 2.88Å; D557-K561 PolarHBondContact OD2-NZ 3.35Å
558Q90.7Very high86.9Confident16 Ų1642 Ų428%0.07522%0.221CC..Hα-helixtrans-57.2-52.3176.2-70.9173.418.900111.4V429 Q522 F545 E554 I556 F562V429-Q558 HydrophobicContact CG1-CG 3.92Å; Q522-Q558 HydrophobicContact CG-CG 4.39Å; F545-Q558 HydrophobicContact CZ-CB 4.15Å; E554-Q558 WeakPolarHBondContact O-CB 3.49Å; E554-Q558 VanDerWaalsContact O-CG 3.24Å; E554-Q558 WeakPolarHBondContact O-CG 3.41Å; E554-Q558 PolarHBondContact O-N 2.74Å; I556-Q558 PolarHBondContact O-N 3Å; Q558-F562 WeakPolarHBondContact O-CB 3.43Å; Q558-F562 WeakPolarHBondContact O-CD2 3.43Å; Q558-F562 PolarHBondContact O-N 2.87Å
559L89.7Confident86.1Confident0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-67.8-39.9-176.3-79.6166.8000113F545 A555 I556 D557 N563 L579 M600 T604F545-L559 HydrophobicContact CB-CD2 4.15Å; F545-L559 HydrophobicContact CD1-CD2 3.31Å; F545-L559 HydrophobicContact CD1-CG 4.14Å; F545-L559 HydrophobicContact CD2-CD2 3.97Å; F545-L559 HydrophobicContact CE1-CD1 4.48Å; F545-L559 HydrophobicContact CE1-CD2 3.54Å; F545-L559 HydrophobicContact CE1-CG 3.87Å; F545-L559 HydrophobicContact CE2-CD2 4.17Å; F545-L559 HydrophobicContact CG-CD2 3.53Å; F545-L559 HydrophobicContact CZ-CD2 3.97Å; F545-L559 HydrophobicContact CZ-CG 4.19Å; A555-L559 WeakPolarHBondContact O-CB 3.48Å; A555-L559 WeakPolarHBondContact O-CG 3.31Å; A555-L559 PolarHBondContact O-N 3.48Å; A555-L559 VanDerWaalsContact O-N 3.14Å; I556-L559 PolarHBondContact O-N 3.41Å; D557-L559 PolarHBondContact O-N 3.02Å; L559-N563 WeakPolarHBondContact O-CB 3.34Å; L559-N563 PolarHBondContact O-N 3.49Å; L559-N563 PolarHBondContact O-ND2 2.75Å; L559-L579 HydrophobicContact CD2-CD1 3.75Å; L559-M600 HydrophobicContact CD1-CB 3.49Å; L559-M600 VanDerWaalsContact CD1-CB 3.49Å; L559-M600 HydrophobicContact CD1-CG 3.52Å; L559-M600 HydrophobicContact CD1-SD 4.39Å; L559-T604 HydrophobicContact CB-CG2 3.84Å; L559-T604 HydrophobicContact CD1-CG2 3.69Å; L559-T604 HydrophobicContact CD2-CG2 3.64Å; L559-T604 HydrophobicContact CG-CG2 3.92Å
560Q88.5Confident84.8Confident94 Ų9443.6 Ų43.644%0.43923%0.23SC..Hα-helixtrans-62.9-50.1177.2-74.7178.5-12.600111I556 F562 N563 Q564 I603I556-Q560 HydrophobicContact CG2-CG 4.34Å; I556-Q560 WeakPolarHBondContact O-CB 3.41Å; I556-Q560 WeakPolarHBondContact O-CG 3.41Å; I556-Q560 PolarHBondContact O-N 3.14Å; Q560-F562 PolarHBondContact O-N 3.08Å; Q560-N563 PolarHBondContact O-N 3.45Å; Q560-Q564 VanDerWaalsContact O-CB 3.24Å; Q560-Q564 WeakPolarHBondContact O-CB 3.44Å; Q560-Q564 PolarHBondContact O-N 2.82Å; Q560-I603 HydrophobicContact CG-CG2 3.7Å
561K89.2Confident83.5Confident65 Ų6540.8 Ų40.828%0.28322%0.222SC..Hα-helixtrans-67.3-36.2179.9-75.5171.9178.8165.50112.7Q522 D523 D557 A565Q522-K561 HydrophobicContact CB-CB 3.79Å; Q522-K561 HydrophobicContact CB-CD 4Å; Q522-K561 HydrophobicContact CG-CB 4.11Å; Q522-K561 HydrophobicContact CG-CD 3.44Å; Q522-K561 VanDerWaalsContact CG-CD 3.44Å; Q522-K561 HydrophobicContact CG-CG 4.42Å; D523-K561 VanDerWaalsContact OD1-CD 3.31Å; D523-K561 WeakPolarHBondContact OD1-CD 3.49Å; D523-K561 WeakPolarHBondContact OD1-CE 3.48Å; D523-K561 IonicContact OD1-NZ 2.73Å; D523-K561 PolarHBondContact OD1-NZ 3.01Å; D523-K561 IonicContact OD2-NZ 3.57Å; D557-K561 WeakPolarHBondContact O-CB 3.31Å; D557-K561 WeakPolarHBondContact O-CG 3.45Å; D557-K561 PolarHBondContact O-N 3.23Å; D557-K561 WeakPolarHBondContact OD1-CD 3.34Å; D557-K561 WeakPolarHBondContact OD1-CE 3.38Å; D557-K561 IonicContact OD1-NZ 3.69Å; D557-K561 PolarHBondContact OD1-NZ 3.4Å; D557-K561 WeakPolarHBondContact OD2-CD 3.27Å; D557-K561 WeakPolarHBondContact OD2-CE 3.5Å; D557-K561 IonicContact OD2-NZ 2.88Å; D557-K561 PolarHBondContact OD2-NZ 3.35Å; K561-A565 VanDerWaalsContact O-CB 3.23Å; K561-A565 WeakPolarHBondContact O-CB 3.5Å; K561-A565 PolarHBondContact O-N 3.08Å
562F90.4Very high81.7Confident0 Ų047.2 Ų47.20%026%0.262CS..Hα-helixtrans-63.2-50.7172.7-92.2-108.2000111.6C427 V429 R520 Q522 M528 L531 F545 Q558 Q560 Q564 A565 L566 L579C427-F562 HydrophobicContact CB-CE1 4.35Å; V429-F562 HydrophobicContact CG1-CE2 4.04Å; V429-F562 HydrophobicContact CG1-CZ 4.44Å; R520-F562 HydrophobicContact CG-CE1 4.15Å; R520-F562 HydrophobicContact CG-CZ 3.65Å; Q522-F562 HydrophobicContact CB-CD2 3.9Å; Q522-F562 HydrophobicContact CB-CE2 3.88Å; M528-F562 HydrophobicContact CE-CB 4.28Å; M528-F562 HydrophobicContact CE-CD1 3.83Å; M528-F562 HydrophobicContact CE-CD2 4.01Å; M528-F562 HydrophobicContact CE-CE1 4.15Å; M528-F562 HydrophobicContact CE-CE2 4.34Å; M528-F562 HydrophobicContact CE-CG 3.77Å; M528-F562 HydrophobicContact CE-CZ 4.41Å; M528-F562 HydrophobicContact SD-CD1 4.46Å; M528-F562 HydrophobicContact SD-CD2 4.4Å; M528-F562 HydrophobicContact SD-CE1 4.18Å; M528-F562 HydrophobicContact SD-CE2 4.15Å; M528-F562 HydrophobicContact SD-CZ 4.04Å; L531-F562 HydrophobicContact CD2-CD1 4.07Å; L531-F562 HydrophobicContact CD2-CE1 3.86Å; F545-F562 HydrophobicContact CD2-CB 4.49Å; F545-F562 HydrophobicContact CD2-CD1 4.07Å; F545-F562 HydrophobicContact CD2-CE1 4.48Å; F545-F562 HydrophobicContact CD2-CG 4.2Å; F545-F562 HydrophobicContact CE2-CB 4.44Å; F545-F562 HydrophobicContact CE2-CD1 4.08Å; F545-F562 HydrophobicContact CE2-CD2 4.04Å; F545-F562 HydrophobicContact CE2-CE1 4.31Å; F545-F562 HydrophobicContact CE2-CE2 4.25Å; F545-F562 AromaticContact CE2-CG 3.93Å; F545-F562 HydrophobicContact CE2-CG 3.93Å; F545-F562 HydrophobicContact CE2-CZ 4.38Å; Q558-F562 WeakPolarHBondContact O-CB 3.43Å; Q558-F562 WeakPolarHBondContact O-CD2 3.43Å; Q558-F562 PolarHBondContact O-N 2.87Å; Q560-F562 PolarHBondContact O-N 3.08Å; F562-Q564 VanDerWaalsContact C-N 3.33Å; F562-Q564 PolarHBondContact O-N 3.05Å; F562-A565 PolarHBondContact O-N 3.14Å; F562-L566 VanDerWaalsContact O-CG 3.24Å; F562-L566 WeakPolarHBondContact O-CG 3.29Å; F562-L566 PolarHBondContact O-N 3.23Å; F562-L579 HydrophobicContact CB-CD1 4.34Å
563N87.5Confident80.6Confident26 Ų2650.4 Ų50.414%0.13930%0.295CS..Hα-helixtrans-60.4-43176.9-84.9-40.3000112.2L559 Q560 L566 A567 L579L559-N563 WeakPolarHBondContact O-CB 3.34Å; L559-N563 PolarHBondContact O-N 3.49Å; L559-N563 PolarHBondContact O-ND2 2.75Å; Q560-N563 PolarHBondContact O-N 3.45Å; N563-L566 PolarHBondContact O-N 3.38Å; N563-A567 WeakPolarHBondContact O-CB 3.42Å; N563-A567 PolarHBondContact O-N 2.95Å; N563-L579 WeakPolarHBondContact OD1-CB 3.44Å; N563-L579 WeakPolarHBondContact OD1-CD1 3.42Å; N563-L579 WeakPolarHBondContact OD1-CG 3.39Å; N563-L579 PolarHBondContact OD1-N 3.3Å; N563-L579 VanDerWaalsContact OD1-N 3.13Å
564Q86.1Confident79.2Confident106 Ų10653.8 Ų53.850%0.49531%0.308SS..Hα-helixtrans-61.9-49.1178.7-174.359.245.300111.2Q560 F562 L566 A567 D568Q560-Q564 VanDerWaalsContact O-CB 3.24Å; Q560-Q564 WeakPolarHBondContact O-CB 3.44Å; Q560-Q564 PolarHBondContact O-N 2.82Å; F562-Q564 VanDerWaalsContact C-N 3.33Å; F562-Q564 PolarHBondContact O-N 3.05Å; Q564-L566 VanDerWaalsContact C-N 3.29Å; Q564-L566 PolarHBondContact O-N 2.66Å; Q564-A567 WeakPolarHBondContact O-CB 3.34Å; Q564-A567 PolarHBondContact O-N 2.94Å; Q564-A567 VanDerWaalsContact O-N 3.11Å; Q564-D568 WeakPolarHBondContact CG-OD2 3.43Å; Q564-D568 PolarHBondContact NE2-OD1 3.49Å; Q564-D568 PolarHBondContact NE2-OD2 3.48Å; Q564-D568 WeakPolarHBondContact O-CB 2.89Å; Q564-D568 VanDerWaalsContact O-CG 3.23Å; Q564-D568 PolarHBondContact O-N 3.03Å
565A84.7Confident77.8Confident12 Ų1258.6 Ų58.610%0.09933%0.327CS..Hα-helixtrans-63.5-34.5178.500000112.8M528 K561 F562 H569M528-A565 HydrophobicContact CB-CB 3.99Å; M528-A565 HydrophobicContact CE-CB 3.42Å; M528-A565 VanDerWaalsContact CE-CB 3.42Å; M528-A565 HydrophobicContact CG-CB 4.42Å; K561-A565 VanDerWaalsContact O-CB 3.23Å; K561-A565 WeakPolarHBondContact O-CB 3.5Å; K561-A565 PolarHBondContact O-N 3.08Å; F562-A565 PolarHBondContact O-N 3.14Å; A565-H569 VanDerWaalsContact O-CB 3.29Å; A565-H569 WeakPolarHBondContact O-CB 3.42Å; A565-H569 PolarHBondContact O-CD2 3.43Å; A565-H569 PolarHBondContact O-N 3.12Å; A565-H569 VanDerWaalsContact O-N 3.11Å
566L85.1Confident76.8Confident2 Ų260 Ų601%0.0134%0.341CS..Hα-helixtrans-68.4-40.1173.3-67.1-178.8000111.6L531 I535 F562 N563 Q564 S570 R577 L579L531-L566 HydrophobicContact CD2-CD2 4.32Å; L531-L566 HydrophobicContact CG-CD2 4.14Å; I535-L566 HydrophobicContact CD1-CD1 4.08Å; I535-L566 HydrophobicContact CD1-CD2 3.37Å; I535-L566 HydrophobicContact CD1-CG 4.37Å; F562-L566 VanDerWaalsContact O-CG 3.24Å; F562-L566 WeakPolarHBondContact O-CG 3.29Å; F562-L566 PolarHBondContact O-N 3.23Å; N563-L566 PolarHBondContact O-N 3.38Å; Q564-L566 VanDerWaalsContact C-N 3.29Å; Q564-L566 PolarHBondContact O-N 2.66Å; L566-S570 VanDerWaalsContact O-CB 3.24Å; L566-S570 WeakPolarHBondContact O-CB 3.47Å; L566-S570 PolarHBondContact O-N 2.87Å; L566-S570 PolarHBondContact O-OG 2.8Å; L566-R577 WeakPolarHBondContact CB-O 3.42Å; L566-L579 HydrophobicContact CD1-CD2 3.68Å; L566-L579 HydrophobicContact CD1-CG 4.07Å
567A83.9Confident76.5Confident38 Ų3862 Ų6231%0.31435%0.348SS..Hα-helixtrans-64.2-41.4174.400000112.4N563 Q564 S570 L578N563-A567 WeakPolarHBondContact O-CB 3.42Å; N563-A567 PolarHBondContact O-N 2.95Å; Q564-A567 WeakPolarHBondContact O-CB 3.34Å; Q564-A567 PolarHBondContact O-N 2.94Å; Q564-A567 VanDerWaalsContact O-N 3.11Å; A567-S570 PolarHBondContact O-OG 3.35Å; A567-L578 HydrophobicContact CB-CD2 4Å
568D82.6Confident76.4Confident100 Ų10063.3 Ų63.354%0.53536%0.355SS..Hα-helixtrans-74.9-27.3-176.9-68.5-24.8000113.4Q564Q564-D568 WeakPolarHBondContact CG-OD2 3.43Å; Q564-D568 PolarHBondContact NE2-OD1 3.49Å; Q564-D568 PolarHBondContact NE2-OD2 3.48Å; Q564-D568 WeakPolarHBondContact O-CB 2.89Å; Q564-D568 VanDerWaalsContact O-CG 3.23Å; Q564-D568 PolarHBondContact O-N 3.03Å
569H76.7Confident76.4Confident47 Ų4762.6 Ų62.622%0.21835%0.351CS..Hα-helixtrans-108.5-8.5-174.8-61.1-37.9000114.3A565A565-H569 VanDerWaalsContact O-CB 3.29Å; A565-H569 WeakPolarHBondContact O-CB 3.42Å; A565-H569 PolarHBondContact O-CD2 3.43Å; A565-H569 PolarHBondContact O-N 3.12Å; A565-H569 VanDerWaalsContact O-N 3.11Å
570S64.3Low76.5Confident16 Ų1664.3 Ų64.311%0.11236%0.361CS..SBendtrans-75131.8159.451.40000108L566 A567 G576 R577L566-S570 VanDerWaalsContact O-CB 3.24Å; L566-S570 WeakPolarHBondContact O-CB 3.47Å; L566-S570 PolarHBondContact O-N 2.87Å; L566-S570 PolarHBondContact O-OG 2.8Å; A567-S570 PolarHBondContact O-OG 3.35Å; S570-G576 WeakPolarHBondContact OG-CA 3.29Å; S570-R577 PolarHBondContact OG-N 3.14Å
571G60Low76.7Confident30 Ų3059.9 Ų59.931%0.30934%0.34SS..  trans-60.3155.3-160.700000114.9G573G571-G573 PolarHBondContact O-N 2.81Å; G571-G573 VanDerWaalsContact O-N 3.1Å
572T48Very low76.9Confident157 Ų15756.8 Ų56.896%0.96333%0.326SS*.THydrogen-bonded Turntrans-61.3106.4172.346.60000111
573G54.5Low77.1Confident83 Ų8356.8 Ų56.886%0.85633%0.326SS*.THydrogen-bonded Turntrans138.1-25.9168.600000115.5G571G571-G573 PolarHBondContact O-N 2.81Å; G571-G573 VanDerWaalsContact O-N 3.1Å
574E55.4Low77.5Confident168 Ų16855.6 Ų55.679%0.78532%0.32SS*.SBendtrans-106.7142.5170.6-72.8177.9164.200108.6G576E574-G576 PolarHBondContact O-N 3.36Å
575K57.8Low77.9Confident212 Ų21250.6 Ų50.692%0.92230%0.297SS*.  trans-52.2112.9176.8-77.8-177.6178.9178.40107.9R577K575-R577 PolarHBondContact O-N 3.41Å
576G63.1Low78.3Confident30 Ų3052.7 Ų52.731%0.30930%0.304SS..  trans-53.2133.8-174.900000110.9S570 E574 L578S570-G576 WeakPolarHBondContact OG-CA 3.29Å; E574-G576 PolarHBondContact O-N 3.36Å; G576-L578 PolarHBondContact O-N 3.05Å
577R80.3Confident78.7Confident54 Ų5453.8 Ų53.820%0.20431%0.308CS..  trans-73.6123-178.5-177.4167.8-169.31600110I535 P540 D541 V543 L566 S570 K575 D580I535-R577 HydrophobicContact CG2-CB 4.11Å; I535-R577 HydrophobicContact CG2-CG 4.18Å; P540-R577 VanDerWaalsContact C-NH2 3.27Å; P540-R577 VanDerWaalsContact CD-NH1 3.3Å; P540-R577 PolarHBondContact O-NH1 2.96Å; P540-R577 PolarHBondContact O-NH2 3.22Å; D541-R577 PolarHBondContact O-NH2 2.87Å; V543-R577 HydrophobicContact CG2-CG 4.49Å; L566-R577 WeakPolarHBondContact CB-O 3.42Å; S570-R577 PolarHBondContact OG-N 3.14Å; K575-R577 PolarHBondContact O-N 3.41Å; R577-D580 IonicContact CZ-OD2 3.72Å; R577-D580 IonicContact NE-OD2 3.82Å; R577-D580 PolarHBondContact NE-OD2 3.49Å; R577-D580 IonicContact NH2-OD2 2.89Å; R577-D580 PolarHBondContact NH2-OD2 3.39Å; R577-D580 VanDerWaalsContact NH2-OD2 3.13Å
578L86Confident79Confident73 Ų7355.6 Ų55.638%0.38231%0.313SS..  trans-95.7177.5175.4-58.7178.7000110.6A567 G576A567-L578 HydrophobicContact CB-CD2 4Å; G576-L578 PolarHBondContact O-N 3.05Å
579L90.6Very high79.4Confident1 Ų154 Ų541%0.00531%0.307CS..  trans-61.2138.8168-61.8172.4000110.1V543 F545 L559 F562 N563 L566 K606V543-L579 HydrophobicContact CG1-CD2 3.76Å; F545-L579 HydrophobicContact CB-CD1 3.73Å; F545-L579 HydrophobicContact CB-CD2 3.97Å; F545-L579 HydrophobicContact CB-CG 4.36Å; F545-L579 HydrophobicContact CD2-CD1 4.13Å; F545-L579 HydrophobicContact CG-CD1 4.1Å; L559-L579 HydrophobicContact CD2-CD1 3.75Å; F562-L579 HydrophobicContact CB-CD1 4.34Å; N563-L579 WeakPolarHBondContact OD1-CB 3.44Å; N563-L579 WeakPolarHBondContact OD1-CD1 3.42Å; N563-L579 WeakPolarHBondContact OD1-CG 3.39Å; N563-L579 PolarHBondContact OD1-N 3.3Å; N563-L579 VanDerWaalsContact OD1-N 3.13Å; L566-L579 HydrophobicContact CD1-CD2 3.68Å; L566-L579 HydrophobicContact CD1-CG 4.07Å; L579-K606 WeakPolarHBondContact O-CD 3.08Å; L579-K606 WeakPolarHBondContact O-CE 3.32Å; L579-K606 PolarHBondContact O-NZ 2.99Å
580D91.6Very high80Confident37 Ų3752.1 Ų52.120%0.19830%0.298CS..  trans-96.7-36.5-178.4-65.5-46.9000111.2I406 L542 V543 R577I406-D580 WeakPolarHBondContact CD1-O 3.3Å; L542-D580 HydrophobicContact CD1-CB 3.5Å; V543-D580 PolarHBondContact N-OD2 3.26Å; V543-D580 PolarHBondContact O-N 2.99Å; R577-D580 IonicContact CZ-OD2 3.72Å; R577-D580 IonicContact NE-OD2 3.82Å; R577-D580 PolarHBondContact NE-OD2 3.49Å; R577-D580 IonicContact NH2-OD2 2.89Å; R577-D580 PolarHBondContact NH2-OD2 3.39Å; R577-D580 VanDerWaalsContact NH2-OD2 3.13Å
581G92.7Very high81Confident0 Ų058.4 Ų58.40%033%0.331CS..EExtended strand (participates in β ladder)trans-157.3170.417900000113.2V543 L544 F545 P607V543-G581 PolarHBondContact O-N 2.7Å; L544-G581 WeakPolarHBondContact CA-O 3.33Å; F545-G581 PolarHBondContact N-O 2.69Å; G581-P607 WeakPolarHBondContact CA-O 3.36Å
582I93.8Very high82.1Confident0 Ų060.4 Ų60.40%033%0.334CS..EExtended strand (participates in β ladder)trans-113.5140179.3-64.1153.9000109.4F545 M600 T604 P607 I608 V609F545-I582 CarbonylContact O-C 3.54Å; F545-I582 WeakPolarHBondContact O-CA 3.46Å; I582-M600 HydrophobicContact CD1-CB 3.79Å; I582-M600 HydrophobicContact CG2-SD 3.96Å; I582-T604 HydrophobicContact CD1-CG2 4.29Å; I582-T604 WeakPolarHBondContact CD1-OG1 3.38Å; I582-P607 PolarHBondContact N-O 2.95Å; I582-I608 HydrophobicContact CB-CG1 4.09Å; I582-I608 HydrophobicContact CG2-CG1 4.12Å; I582-I608 CarbonylContact O-C 3.6Å; I582-I608 WeakPolarHBondContact O-CA 3.35Å; I582-V609 PolarHBondContact O-N 3.03Å
583M95.1Very high84Confident0 Ų058.2 Ų58.20%031%0.311CS..EExtended strand (participates in β ladder)trans-112.1115.4165.5179.5167.8-151.500108.6F426 N437 I441 F545 V546 G547 T585 F610 L620F426-M583 HydrophobicContact CE1-SD 4.2Å; N437-M583 HydrophobicContact CB-CE 3.43Å; N437-M583 VanDerWaalsContact CB-CE 3.43Å; N437-M583 HydrophobicContact CB-SD 3.6Å; N437-M583 VanDerWaalsContact CB-SD 3.6Å; I441-M583 HydrophobicContact CD1-CE 3.78Å; I441-M583 HydrophobicContact CD1-SD 3.81Å; I441-M583 HydrophobicContact CG1-CE 4.24Å; F545-M583 PolarHBondContact O-N 3.16Å; V546-M583 WeakPolarHBondContact CA-O 3.47Å; V546-M583 HydrophobicContact CG2-CB 4.3Å; G547-M583 PolarHBondContact N-O 3.14Å; M583-T585 HydrophobicContact CG-CG2 4.25Å; M583-F610 WeakPolarHBondContact CA-O 3.36Å; M583-F610 HydrophobicContact CE-CB 3.76Å; M583-F610 HydrophobicContact CE-CG 4.47Å; M583-F610 HydrophobicContact CG-CB 4.17Å; M583-F610 HydrophobicContact SD-CB 4.49Å; M583-L620 HydrophobicContact CE-CD1 3.32Å
584L94.7Very high85.7Confident1 Ų154.4 Ų54.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-94.6124.6-178.6-167.265000109.6G547 A549 F587 A597 M600 I608 F610 V611 G612G547-L584 CarbonylContact O-C 3.49Å; A549-L584 HydrophobicContact CB-CD1 4.19Å; A549-L584 HydrophobicContact CB-CD2 4.26Å; A549-L584 HydrophobicContact CB-CG 4.04Å; L584-F587 HydrophobicContact CD2-CD2 3.73Å; L584-F587 HydrophobicContact CD2-CE2 3.94Å; L584-F587 HydrophobicContact CG-CD2 4.38Å; L584-A597 HydrophobicContact CD2-CB 3.83Å; L584-M600 HydrophobicContact CD1-CE 3.95Å; L584-M600 HydrophobicContact CD1-SD 3.8Å; L584-I608 HydrophobicContact CB-CG2 4.2Å; L584-I608 HydrophobicContact CD2-CD1 4.47Å; L584-F610 PolarHBondContact N-O 3.28Å; L584-V611 CarbonylContact O-C 3.5Å; L584-V611 VanDerWaalsContact O-CA 3.22Å; L584-V611 WeakPolarHBondContact O-CA 3.26Å; L584-G612 PolarHBondContact O-N 3.21Å
585T95.3Very high87.4Confident1 Ų146.4 Ų46.41%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-117.5168-173670000111.4V432 N437 V546 G547 A549 M583 F587V432-T585 WeakPolarHBondContact O-CB 3.3Å; V432-T585 WeakPolarHBondContact O-CG2 3.25Å; V432-T585 PolarHBondContact O-OG1 2.69Å; N437-T585 WeakPolarHBondContact ND2-CG2 3.37Å; V546-T585 HydrophobicContact CG1-CG2 3.44Å; V546-T585 VanDerWaalsContact CG1-CG2 3.44Å; G547-T585 PolarHBondContact O-N 3.15Å; G547-T585 PolarHBondContact O-OG1 3.12Å; A549-T585 WeakPolarHBondContact CB-O 3.38Å; A549-T585 PolarHBondContact N-O 2.92Å; M583-T585 HydrophobicContact CG-CG2 4.25Å; T585-F587 PolarHBondContact O-N 3.41Å
586K94Very high88.9Confident56 Ų5636.4 Ų36.424%0.24319%0.191CC..  trans56.432.7-179.6-51.3-174.8-172.1173.50112.2G431 E548 L550 D588 T589 G612G431-K586 PolarHBondContact O-NZ 3.16Å; E548-K586 HydrophobicContact CB-CD 4.35Å; E548-K586 HydrophobicContact CG-CD 3.9Å; E548-K586 HydrophobicContact CG-CG 4.37Å; E548-K586 WeakPolarHBondContact OE1-CE 3.46Å; E548-K586 IonicContact OE1-NZ 2.97Å; E548-K586 PolarHBondContact OE1-NZ 2.84Å; E548-K586 WeakPolarHBondContact OE2-CD 3.33Å; E548-K586 WeakPolarHBondContact OE2-CE 3.44Å; E548-K586 IonicContact OE2-NZ 3.56Å; E548-K586 PolarHBondContact OE2-NZ 3.35Å; L550-K586 HydrophobicContact CD1-CD 4.32Å; K586-D588 VanDerWaalsContact C-OD1 3.28Å; K586-D588 VanDerWaalsContact CA-OD1 3.32Å; K586-D588 WeakPolarHBondContact CA-OD1 3.3Å; K586-D588 PolarHBondContact O-N 3.11Å; K586-T589 HydrophobicContact CB-CG2 4.14Å; K586-T589 PolarHBondContact O-N 3.16Å; K586-T589 VanDerWaalsContact O-N 3.1Å; K586-T589 PolarHBondContact O-OG1 2.94Å; K586-G612 PolarHBondContact N-O 2.94Å
587F92.2Very high90.3Very high25 Ų2535 Ų3511%0.1118%0.176CC..G310 helixtrans-68.3-23.4-178.6-162.3-91.2000111.8I293 A549 L584 T585 T589 I590 V594 V611 G612 T613I293-F587 HydrophobicContact CD1-CD1 4.01Å; I293-F587 HydrophobicContact CD1-CE1 3.71Å; I293-F587 HydrophobicContact CD1-CZ 4Å; I293-F587 HydrophobicContact CG2-CE1 4.38Å; A549-F587 HydrophobicContact CB-CD2 4.11Å; L584-F587 HydrophobicContact CD2-CD2 3.73Å; L584-F587 HydrophobicContact CD2-CE2 3.94Å; L584-F587 HydrophobicContact CG-CD2 4.38Å; T585-F587 PolarHBondContact O-N 3.41Å; F587-T589 PolarHBondContact O-N 3.38Å; F587-I590 HydrophobicContact CD2-CD1 3.93Å; F587-I590 HydrophobicContact CE2-CD1 3.87Å; F587-I590 HydrophobicContact CG-CD1 4.4Å; F587-I590 HydrophobicContact CZ-CD1 4.27Å; F587-I590 WeakPolarHBondContact O-CG1 3.46Å; F587-V594 HydrophobicContact CE1-CG1 4.18Å; F587-V594 HydrophobicContact CE2-CB 4.23Å; F587-V594 HydrophobicContact CE2-CG1 3.98Å; F587-V594 HydrophobicContact CZ-CB 4.07Å; F587-V594 HydrophobicContact CZ-CG1 3.44Å; F587-V594 VanDerWaalsContact CZ-CG1 3.44Å; F587-V611 HydrophobicContact CB-CG1 3.42Å; F587-V611 VanDerWaalsContact CB-CG1 3.42Å; F587-V611 HydrophobicContact CD1-CG1 4.14Å; F587-V611 HydrophobicContact CD2-CG1 3.68Å; F587-V611 HydrophobicContact CE2-CG1 4.46Å; F587-V611 HydrophobicContact CG-CG1 3.48Å; F587-V611 VanDerWaalsContact CG-CG1 3.48Å; F587-G612 WeakPolarHBondContact CB-O 3.49Å; F587-G612 PolarHBondContact N-O 2.91Å; F587-T613 HydrophobicContact CB-CG2 4.38Å
588D91.3Very high90.8Very high77 Ų7732.4 Ų32.441%0.41217%0.166SC..G310 helixtrans-64.1-11.4170.454.2-59.4000114.5K586 G614K586-D588 VanDerWaalsContact C-OD1 3.28Å; K586-D588 VanDerWaalsContact CA-OD1 3.32Å; K586-D588 WeakPolarHBondContact CA-OD1 3.3Å; K586-D588 PolarHBondContact O-N 3.11Å; D588-G614 PolarHBondContact OD1-N 2.95Å; D588-G614 VanDerWaalsContact OD1-N 3.14Å
589T91.1Very high91.1Very high65 Ų6528.9 Ų28.940%0.39915%0.148SC..G310 helixtrans-104.5-2.9-173.168.50000114.9L550 K586 F587L550-T589 WeakPolarHBondContact CD1-OG1 3.3Å; L550-T589 WeakPolarHBondContact CG-OG1 3.44Å; K586-T589 HydrophobicContact CB-CG2 4.14Å; K586-T589 PolarHBondContact O-N 3.16Å; K586-T589 VanDerWaalsContact O-N 3.1Å; K586-T589 PolarHBondContact O-OG1 2.94Å; F587-T589 PolarHBondContact O-N 3.38Å
590I87.8Confident91.1Very high9 Ų928.9 Ų28.95%0.04615%0.148CC..SBendtrans-110.1-2.8-170.753148.3000114.6A549 L550 F587 D592 K593 V594A549-I590 HydrophobicContact CB-CD1 3.82Å; A549-I590 HydrophobicContact CB-CG1 4.03Å; A549-I590 HydrophobicContact CB-CG2 3.86Å; L550-I590 HydrophobicContact CD2-CG2 3.65Å; L550-I590 HydrophobicContact CG-CG2 3.92Å; F587-I590 HydrophobicContact CD2-CD1 3.93Å; F587-I590 HydrophobicContact CE2-CD1 3.87Å; F587-I590 HydrophobicContact CG-CD1 4.4Å; F587-I590 HydrophobicContact CZ-CD1 4.27Å; F587-I590 WeakPolarHBondContact O-CG1 3.46Å; I590-D592 PolarHBondContact O-N 3.48Å; I590-K593 HydrophobicContact CB-CB 4.4Å; I590-K593 WeakPolarHBondContact CD1-O 3.19Å; I590-K593 VanDerWaalsContact O-CB 3.31Å; I590-K593 WeakPolarHBondContact O-CB 3.32Å; I590-K593 PolarHBondContact O-N 3.34Å; I590-V594 HydrophobicContact CD1-CB 4.05Å; I590-V594 HydrophobicContact CD1-CG1 3.65Å
591D86.2Confident91Very high147 Ų14727.4 Ų27.479%0.78614%0.14SC*.THydrogen-bonded Turntrans48.9-108.2-173.4-57.5-41.7000111.8
592D83.8Confident90.8Very high72 Ų7230 Ų3039%0.38515%0.151SC..THydrogen-bonded Turntrans-98.5-1.9179.266.5-12000114.1K355 I590 V594K355-D592 IonicContact NZ-OD2 2.89Å; K355-D592 PolarHBondContact NZ-OD2 2.9Å; I590-D592 PolarHBondContact O-N 3.48Å; D592-V594 PolarHBondContact O-N 2.89Å
593K87.7Confident90.4Very high111 Ų11132 Ų3248%0.48316%0.16SC..  trans-81.753.7-177.9-59.7-175-179.3176.50112.6K355 N356 I590 G595K355-K593 CarbonylContact O-C 3.48Å; K355-K593 VanDerWaalsContact O-C 3.26Å; K355-K593 WeakPolarHBondContact O-CA 3.39Å; N356-K593 HydrophobicContact CB-CB 3.98Å; I590-K593 HydrophobicContact CB-CB 4.4Å; I590-K593 WeakPolarHBondContact CD1-O 3.19Å; I590-K593 VanDerWaalsContact O-CB 3.31Å; I590-K593 WeakPolarHBondContact O-CB 3.32Å; I590-K593 PolarHBondContact O-N 3.34Å; K593-G595 PolarHBondContact O-N 2.97Å
594V88.9Confident89.8Confident4 Ų433 Ų332%0.02417%0.167CC..THydrogen-bonded Turntrans-806.7-172.5-55.40000114.1F587 I590 D592 A596 A597 V628 A631 L632F587-V594 HydrophobicContact CE1-CG1 4.18Å; F587-V594 HydrophobicContact CE2-CB 4.23Å; F587-V594 HydrophobicContact CE2-CG1 3.98Å; F587-V594 HydrophobicContact CZ-CB 4.07Å; F587-V594 HydrophobicContact CZ-CG1 3.44Å; F587-V594 VanDerWaalsContact CZ-CG1 3.44Å; I590-V594 HydrophobicContact CD1-CB 4.05Å; I590-V594 HydrophobicContact CD1-CG1 3.65Å; D592-V594 PolarHBondContact O-N 2.89Å; V594-A596 PolarHBondContact O-N 2.68Å; V594-A596 VanDerWaalsContact O-N 3.14Å; V594-A597 WeakPolarHBondContact O-CB 3.1Å; V594-A597 PolarHBondContact O-N 3.25Å; V594-A597 VanDerWaalsContact O-N 3.1Å; V594-V628 HydrophobicContact CB-CG1 4.27Å; V594-V628 HydrophobicContact CG2-CG1 3.71Å; V594-A631 HydrophobicContact CG2-CB 4.11Å; V594-L632 HydrophobicContact CG2-CD1 4.21Å; V594-L632 HydrophobicContact CG2-CD2 3.54Å; V594-L632 HydrophobicContact CG2-CG 3.47Å; V594-L632 VanDerWaalsContact CG2-CG 3.47Å
595G90.7Very high89.4Confident0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-65.6-16.9-172.200000116.1K355 N356 V357 K593 A597 V598 S599K355-G595 WeakPolarHBondContact O-CA 3.25Å; K355-G595 PolarHBondContact O-N 3.24Å; N356-G595 CarbonylContact O-C 3.49Å; V357-G595 VanDerWaalsContact CG2-CA 3.47Å; K593-G595 PolarHBondContact O-N 2.97Å; G595-A597 PolarHBondContact O-N 2.76Å; G595-V598 PolarHBondContact O-N 2.68Å; G595-S599 PolarHBondContact O-N 2.63Å; G595-S599 PolarHBondContact O-OG 3Å
596A91Very high89Confident1 Ų137.4 Ų37.41%0.00820%0.202CC..Hα-helixtrans-59-37.4171.300000111.6N356 A549 V551 V594 V598 S599 M600N356-A596 PolarHBondContact O-N 3.46Å; A549-A596 WeakPolarHBondContact O-CB 3.32Å; V551-A596 VanDerWaalsContact O-CB 3.24Å; V551-A596 WeakPolarHBondContact O-CB 3.3Å; V594-A596 PolarHBondContact O-N 2.68Å; V594-A596 VanDerWaalsContact O-N 3.14Å; A596-V598 PolarHBondContact O-N 3.43Å; A596-S599 PolarHBondContact O-N 2.93Å; A596-M600 VanDerWaalsContact O-CG 3.3Å; A596-M600 WeakPolarHBondContact O-CG 3.49Å; A596-M600 PolarHBondContact O-N 3.36Å
597A91.4Very high88.9Confident0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-59.7-45.2178.600000111.9L584 V594 G595 T601 I608 V628L584-A597 HydrophobicContact CD2-CB 3.83Å; V594-A597 WeakPolarHBondContact O-CB 3.1Å; V594-A597 PolarHBondContact O-N 3.25Å; V594-A597 VanDerWaalsContact O-N 3.1Å; G595-A597 PolarHBondContact O-N 2.76Å; A597-T601 WeakPolarHBondContact O-CB 3.39Å; A597-T601 WeakPolarHBondContact O-CG2 3.36Å; A597-T601 PolarHBondContact O-N 3.07Å; A597-T601 VanDerWaalsContact O-N 3.14Å; A597-T601 PolarHBondContact O-OG1 3.12Å; A597-I608 HydrophobicContact CB-CD1 3.6Å; A597-V628 HydrophobicContact CB-CG1 4.47Å
598V91.4Very high88.9Confident0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-65.3-43.1176.5175.90000110.7V357 V361 L396 L399 L400 G595 A596 M600 T601 Y602 L632V357-V598 HydrophobicContact CG1-CG1 4.44Å; V361-V598 HydrophobicContact CG1-CG1 4.31Å; L396-V598 HydrophobicContact CD2-CG1 3.72Å; L396-V598 HydrophobicContact CD2-CG2 3.98Å; L399-V598 HydrophobicContact CD1-CG1 3.97Å; L399-V598 HydrophobicContact CD2-CG1 3.97Å; L400-V598 HydrophobicContact CD1-CG2 4.19Å; L400-V598 HydrophobicContact CD2-CG2 4.14Å; L400-V598 HydrophobicContact CG-CG2 4.33Å; G595-V598 PolarHBondContact O-N 2.68Å; A596-V598 PolarHBondContact O-N 3.43Å; V598-M600 PolarHBondContact O-N 3.44Å; V598-T601 WeakPolarHBondContact CA-OG1 3.31Å; V598-T601 PolarHBondContact O-N 3.25Å; V598-T601 PolarHBondContact O-OG1 3.11Å; V598-T601 VanDerWaalsContact O-OG1 3.05Å; V598-Y602 WeakPolarHBondContact O-CB 3.49Å; V598-Y602 PolarHBondContact O-N 2.54Å; V598-L632 HydrophobicContact CG2-CD1 3.43Å; V598-L632 VanDerWaalsContact CG2-CD1 3.43Å
599S91.7Very high89Confident0 Ų031.7 Ų31.70%018%0.176CC..Hα-helixtrans-62.8-44.8-178.3-53.60000111.7A358 G595 A596 I603A358-S599 WeakPolarHBondContact CB-OG 3.47Å; A358-S599 PolarHBondContact N-OG 2.83Å; G595-S599 PolarHBondContact O-N 2.63Å; G595-S599 PolarHBondContact O-OG 3Å; A596-S599 PolarHBondContact O-N 2.93Å; S599-I603 WeakPolarHBondContact O-CG1 3.47Å; S599-I603 PolarHBondContact O-N 3.04Å
600M90.6Very high89.2Confident0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-67.8-42.5179.8-65.8-174.2-173.900112.6A555 L559 I582 L584 A596 V598 T604A555-M600 HydrophobicContact CB-CE 3.84Å; A555-M600 HydrophobicContact CB-CG 3.95Å; L559-M600 HydrophobicContact CD1-CB 3.49Å; L559-M600 VanDerWaalsContact CD1-CB 3.49Å; L559-M600 HydrophobicContact CD1-CG 3.52Å; L559-M600 HydrophobicContact CD1-SD 4.39Å; I582-M600 HydrophobicContact CD1-CB 3.79Å; I582-M600 HydrophobicContact CG2-SD 3.96Å; L584-M600 HydrophobicContact CD1-CE 3.95Å; L584-M600 HydrophobicContact CD1-SD 3.8Å; A596-M600 VanDerWaalsContact O-CG 3.3Å; A596-M600 WeakPolarHBondContact O-CG 3.49Å; A596-M600 PolarHBondContact O-N 3.36Å; V598-M600 PolarHBondContact O-N 3.44Å; M600-T604 WeakPolarHBondContact O-CB 3.01Å; M600-T604 WeakPolarHBondContact O-CG2 3.35Å; M600-T604 PolarHBondContact O-N 3.05Å; M600-T604 PolarHBondContact O-OG1 3.11Å
601T89.3Confident89.5Confident6 Ų628.4 Ų28.44%0.03716%0.155CC..Hα-helixtrans-71.1-38.8179.847.60000112.1L399 L400 A597 V598 I603 G605 I608L399-T601 WeakPolarHBondContact CD2-OG1 3.39Å; L400-T601 HydrophobicContact CD2-CG2 4.18Å; A597-T601 WeakPolarHBondContact O-CB 3.39Å; A597-T601 WeakPolarHBondContact O-CG2 3.36Å; A597-T601 PolarHBondContact O-N 3.07Å; A597-T601 VanDerWaalsContact O-N 3.14Å; A597-T601 PolarHBondContact O-OG1 3.12Å; V598-T601 WeakPolarHBondContact CA-OG1 3.31Å; V598-T601 PolarHBondContact O-N 3.25Å; V598-T601 PolarHBondContact O-OG1 3.11Å; V598-T601 VanDerWaalsContact O-OG1 3.05Å; T601-I603 PolarHBondContact O-N 3.34Å; T601-G605 VanDerWaalsContact O-CA 3.29Å; T601-G605 WeakPolarHBondContact O-CA 3.15Å; T601-G605 PolarHBondContact O-N 3.21Å; T601-I608 HydrophobicContact CG2-CD1 3.66Å; T601-I608 HydrophobicContact CG2-CG1 3.7Å
602Y88.4Confident89.9Confident56 Ų5621.4 Ų21.422%0.2212%0.118CC..Hα-helixtrans-59.7-45.4177.3-176.2-101000112.5V361 K364 L399 V598V361-Y602 HydrophobicContact CB-CD1 4.29Å; V361-Y602 HydrophobicContact CG1-CD1 3.82Å; V361-Y602 HydrophobicContact CG1-CD2 4.33Å; V361-Y602 HydrophobicContact CG1-CE1 4.45Å; V361-Y602 HydrophobicContact CG1-CG 3.73Å; V361-Y602 HydrophobicContact CG2-CD1 3.73Å; V361-Y602 HydrophobicContact CG2-CE1 4.37Å; V361-Y602 HydrophobicContact CG2-CG 4.38Å; K364-Y602 WeakPolarHBondContact CB-OH 3.19Å; K364-Y602 HydrophobicContact CD-CE1 4Å; K364-Y602 WeakPolarHBondContact CD-OH 3.34Å; L399-Y602 HydrophobicContact CD1-CD2 3.47Å; L399-Y602 VanDerWaalsContact CD1-CD2 3.47Å; L399-Y602 HydrophobicContact CD1-CE2 4.4Å; L399-Y602 HydrophobicContact CD1-CG 4.18Å; L399-Y602 HydrophobicContact CG-CD2 4.2Å; V598-Y602 WeakPolarHBondContact O-CB 3.49Å; V598-Y602 PolarHBondContact O-N 2.54Å
603I85.1Confident90.4Very high40 Ų4019.7 Ų19.721%0.20511%0.11CC..Hα-helixtrans-75.7-41.5-175.4-65.4-64.2000112V361 I556 Q560 S599 T601V361-I603 HydrophobicContact CG2-CD1 4.32Å; V361-I603 HydrophobicContact CG2-CG1 4.38Å; I556-I603 HydrophobicContact CB-CG1 4.34Å; I556-I603 HydrophobicContact CD1-CD1 4.37Å; I556-I603 HydrophobicContact CD1-CG1 4.43Å; I556-I603 HydrophobicContact CG1-CD1 4.39Å; I556-I603 HydrophobicContact CG1-CG1 3.98Å; I556-I603 HydrophobicContact CG2-CD1 3.86Å; I556-I603 HydrophobicContact CG2-CG1 3.97Å; I556-I603 HydrophobicContact CG2-CG2 4.43Å; Q560-I603 HydrophobicContact CG-CG2 3.7Å; S599-I603 WeakPolarHBondContact O-CG1 3.47Å; S599-I603 PolarHBondContact O-N 3.04Å; T601-I603 PolarHBondContact O-N 3.34Å
604T83.6Confident90.7Very high21 Ų2114.9 Ų14.913%0.1299%0.092CC..Hα-helixtrans-86-28.1-175.560.20000113L559 I582 M600 K606L559-T604 HydrophobicContact CB-CG2 3.84Å; L559-T604 HydrophobicContact CD1-CG2 3.69Å; L559-T604 HydrophobicContact CD2-CG2 3.64Å; L559-T604 HydrophobicContact CG-CG2 3.92Å; I582-T604 HydrophobicContact CD1-CG2 4.29Å; I582-T604 WeakPolarHBondContact CD1-OG1 3.38Å; M600-T604 WeakPolarHBondContact O-CB 3.01Å; M600-T604 WeakPolarHBondContact O-CG2 3.35Å; M600-T604 PolarHBondContact O-N 3.05Å; M600-T604 PolarHBondContact O-OG1 3.11Å; T604-K606 PolarHBondContact O-N 3.43Å; T604-K606 PolarHBondContact OG1-N 3.34Å; T604-K606 VanDerWaalsContact OG1-N 3.11Å
605G85.2Confident90.8Very high55 Ų5520.9 Ų20.957%0.56712%0.12SC*.  trans62.814.1-165.400000113.5T601T601-G605 VanDerWaalsContact O-CA 3.29Å; T601-G605 WeakPolarHBondContact O-CA 3.15Å; T601-G605 PolarHBondContact O-N 3.21Å
606K88.6Confident90.9Very high41 Ų4123 Ų2318%0.17813%0.133CC..  trans-101.8148-177.6-58.9-61.2177.6145.20110.5L579 T604L579-K606 WeakPolarHBondContact O-CD 3.08Å; L579-K606 WeakPolarHBondContact O-CE 3.32Å; L579-K606 PolarHBondContact O-NZ 2.99Å; T604-K606 PolarHBondContact O-N 3.43Å; T604-K606 PolarHBondContact OG1-N 3.34Å; T604-K606 VanDerWaalsContact OG1-N 3.11Å
607P91.2Very high91Very high10 Ų1023.4 Ų23.47%0.06513%0.134CC..  trans-74.8150.9-178.531.8-36.2000112.3P402 I406 G581 I582 V609P402-P607 HydrophobicContact CB-CB 3.8Å; P402-P607 HydrophobicContact CG-CB 3.91Å; I406-P607 HydrophobicContact CD1-CG 3.78Å; I406-P607 HydrophobicContact CG1-CG 4.17Å; G581-P607 WeakPolarHBondContact CA-O 3.36Å; I582-P607 PolarHBondContact N-O 2.95Å; P607-V609 HydrophobicContact CG-CG2 4.47Å; P607-V609 PolarHBondContact O-N 3.22Å
608I92.3Very high91.1Very high14 Ų1427.9 Ų27.97%0.07215%0.151CC..EExtended strand (participates in β ladder)trans-79.3110.8161.7-66.7164.7000107.1I582 L584 A597 T601 V611 L623I582-I608 HydrophobicContact CB-CG1 4.09Å; I582-I608 HydrophobicContact CG2-CG1 4.12Å; I582-I608 CarbonylContact O-C 3.6Å; I582-I608 WeakPolarHBondContact O-CA 3.35Å; L584-I608 HydrophobicContact CB-CG2 4.2Å; L584-I608 HydrophobicContact CD2-CD1 4.47Å; A597-I608 HydrophobicContact CB-CD1 3.6Å; T601-I608 HydrophobicContact CG2-CD1 3.66Å; T601-I608 HydrophobicContact CG2-CG1 3.7Å; I608-V611 HydrophobicContact CG2-CG2 3.89Å; I608-L623 HydrophobicContact CB-CB 4.41Å; I608-L623 HydrophobicContact CB-CD2 4.03Å; I608-L623 HydrophobicContact CD1-CD2 3.73Å; I608-L623 HydrophobicContact CG1-CD2 4.44Å; I608-L623 HydrophobicContact CG2-CB 4.1Å; I608-L623 HydrophobicContact CG2-CD2 4.34Å
609V92.9Very high91.2Very high14 Ų1429.7 Ų29.79%0.08516%0.161CC..EExtended strand (participates in β ladder)trans-81.5-41.5-175.7-172.60000110.6I406 L544 I582 P607I406-V609 HydrophobicContact CB-CG2 4.39Å; I406-V609 HydrophobicContact CD1-CG2 3.79Å; I406-V609 HydrophobicContact CG2-CG1 4.27Å; L544-V609 HydrophobicContact CD2-CB 4.25Å; L544-V609 HydrophobicContact CD2-CG2 3.82Å; I582-V609 PolarHBondContact O-N 3.03Å; P607-V609 HydrophobicContact CG-CG2 4.47Å; P607-V609 PolarHBondContact O-N 3.22Å
610F94.7Very high91.3Very high5 Ų529.8 Ų29.82%0.02216%0.161CC..EExtended strand (participates in β ladder)trans-140.6153-178.1-61.8-68.1000111.6L290 L408 I441 W444 L544 M583 L584 L620 K621L290-F610 HydrophobicContact CD1-CD1 3.63Å; L290-F610 HydrophobicContact CD1-CE1 3.54Å; L408-F610 HydrophobicContact CD2-CE2 3.94Å; L408-F610 HydrophobicContact CD2-CZ 3.91Å; I441-F610 HydrophobicContact CD1-CD2 3.78Å; I441-F610 HydrophobicContact CD1-CE2 3.96Å; I441-F610 HydrophobicContact CD1-CG 4.49Å; I441-F610 HydrophobicContact CG1-CD2 4.27Å; I441-F610 HydrophobicContact CG1-CE2 4.28Å; W444-F610 HydrophobicContact CE3-CE1 4.33Å; W444-F610 HydrophobicContact CE3-CZ 4.23Å; W444-F610 HydrophobicContact CH2-CE1 4.13Å; W444-F610 HydrophobicContact CH2-CZ 4.02Å; W444-F610 AromaticContact CZ3-CE1 3.96Å; W444-F610 HydrophobicContact CZ3-CE1 3.96Å; W444-F610 AromaticContact CZ3-CZ 3.62Å; W444-F610 HydrophobicContact CZ3-CZ 3.62Å; L544-F610 HydrophobicContact CD1-CD2 4.47Å; M583-F610 WeakPolarHBondContact CA-O 3.36Å; M583-F610 HydrophobicContact CE-CB 3.76Å; M583-F610 HydrophobicContact CE-CG 4.47Å; M583-F610 HydrophobicContact CG-CB 4.17Å; M583-F610 HydrophobicContact SD-CB 4.49Å; L584-F610 PolarHBondContact N-O 3.28Å; F610-L620 HydrophobicContact CB-CD1 3.88Å; F610-L620 HydrophobicContact CD1-CD1 4.26Å; F610-L620 HydrophobicContact CD1-CD2 4.33Å; F610-L620 HydrophobicContact CD1-CG 4.27Å; F610-L620 HydrophobicContact CG-CD1 4.2Å; F610-K621 WeakPolarHBondContact CA-O 3.02Å
611V94.7Very high91.4Very high0 Ų031.5 Ų31.50%017%0.169CC..EExtended strand (participates in β ladder)trans-124.6124.2173.4-172.10000109.7I293 L584 F587 I608 T613 K621 L623I293-V611 HydrophobicContact CD1-CB 4.02Å; I293-V611 HydrophobicContact CD1-CG1 3.83Å; I293-V611 HydrophobicContact CD1-CG2 4.04Å; L584-V611 CarbonylContact O-C 3.5Å; L584-V611 VanDerWaalsContact O-CA 3.22Å; L584-V611 WeakPolarHBondContact O-CA 3.26Å; F587-V611 HydrophobicContact CB-CG1 3.42Å; F587-V611 VanDerWaalsContact CB-CG1 3.42Å; F587-V611 HydrophobicContact CD1-CG1 4.14Å; F587-V611 HydrophobicContact CD2-CG1 3.68Å; F587-V611 HydrophobicContact CE2-CG1 4.46Å; F587-V611 HydrophobicContact CG-CG1 3.48Å; F587-V611 VanDerWaalsContact CG-CG1 3.48Å; I608-V611 HydrophobicContact CG2-CG2 3.89Å; V611-T613 HydrophobicContact CG1-CG2 4.13Å; V611-K621 PolarHBondContact N-O 3.41Å; V611-K621 PolarHBondContact O-N 3.16Å; V611-L623 HydrophobicContact CG2-CB 3.92Å; V611-L623 HydrophobicContact CG2-CD1 3.7Å; V611-L623 HydrophobicContact CG2-CG 4.47Å
612G95.1Very high91.5Very high0 Ų033.8 Ų33.80%018%0.182CC..EExtended strand (participates in β ladder)trans-91.3117.7173.900000110.8L584 K586 F587 D619L584-G612 PolarHBondContact O-N 3.21Å; K586-G612 PolarHBondContact N-O 2.94Å; F587-G612 WeakPolarHBondContact CB-O 3.49Å; F587-G612 PolarHBondContact N-O 2.91Å; G612-D619 WeakPolarHBondContact CA-O 3.34Å
613T93.9Very high91.4Very high35 Ų3532 Ų3222%0.21518%0.177CC..  trans-113.431.9-171.161.10000113F587 V611 D619 K621F587-T613 HydrophobicContact CB-CG2 4.38Å; V611-T613 HydrophobicContact CG1-CG2 4.13Å; T613-D619 PolarHBondContact N-O 3.32Å; T613-K621 HydrophobicContact CG2-CB 4.32Å; T613-K621 HydrophobicContact CG2-CG 3.98Å
614G93.3Very high91.4Very high10 Ų1032.7 Ų32.710%0.10318%0.181CC..SBendtrans153.6-160.4-173.500000112.9K440 D588 D619K440-G614 PolarHBondContact NZ-O 2.66Å; D588-G614 PolarHBondContact OD1-N 2.95Å; D588-G614 VanDerWaalsContact OD1-N 3.14Å; G614-D619 WeakPolarHBondContact CA-OD2 3.42Å
615Q92.7Very high91.6Very high130 Ų13032.6 Ų32.661%0.60718%0.18SC*.SBendtrans-114.9-17.7-173.9-61.3-60.3-34.700114.2D619Q615-D619 PolarHBondContact N-OD2 3.11Å
616T92.5Very high91.7Very high44 Ų4434.5 Ų34.527%0.2718%0.178SC..SBendtrans-78.6168.5-179.970.40000111.4E279 K440 R618 D619E279-T616 WeakPolarHBondContact OE1-CB 3.29Å; K440-T616 WeakPolarHBondContact CE-O 3.5Å; T616-R618 PolarHBondContact O-N 3.43Å; T616-D619 WeakPolarHBondContact CB-OD2 3.43Å; T616-D619 PolarHBondContact N-OD2 3.19Å; T616-D619 PolarHBondContact O-N 3.13Å; T616-D619 PolarHBondContact OG1-OD1 3.46Å; T616-D619 PolarHBondContact OG1-OD2 3Å
617Y93.5Very high91.6Very high10 Ų1033.7 Ų33.74%0.03918%0.176CC..THydrogen-bonded Turntrans-69.6-23.9-179.5-60.6-45.8000113.5E279 A439 F443 H471 H474 L475 L478 D619E279-Y617 HydrophobicContact CB-CD2 4.41Å; E279-Y617 HydrophobicContact CG-CD2 4.01Å; E279-Y617 HydrophobicContact CG-CE2 4.29Å; E279-Y617 PolarHBondContact OE2-N 2.95Å; A439-Y617 HydrophobicContact CB-CD1 4.25Å; A439-Y617 HydrophobicContact CB-CE1 3.68Å; F443-Y617 HydrophobicContact CB-CG 4.22Å; F443-Y617 VanDerWaalsContact CD1-CB 3.42Å; F443-Y617 HydrophobicContact CD1-CG 4.49Å; F443-Y617 HydrophobicContact CG-CG 4.28Å; H471-Y617 AromaticContact ND1-CE1 3.55Å; H471-Y617 AromaticContact ND1-CZ 3.66Å; H471-Y617 PolarHBondContact ND1-OH 2.84Å; H474-Y617 HydrophobicContact CB-CE2 4.27Å; L475-Y617 HydrophobicContact CD2-CD2 4.2Å; L475-Y617 HydrophobicContact CD2-CE1 4.45Å; L475-Y617 HydrophobicContact CD2-CE2 4.1Å; L475-Y617 HydrophobicContact CD2-CG 4.43Å; L475-Y617 HydrophobicContact CG-CE2 4.41Å; L478-Y617 HydrophobicContact CD1-CD2 4.11Å; L478-Y617 HydrophobicContact CD1-CE2 4.29Å; Y617-D619 VanDerWaalsContact C-N 3.33Å
618R91.7Very high91.5Very high94 Ų9433.3 Ų33.336%0.35517%0.173SC..THydrogen-bonded Turntrans-75.5-19176.2179.1177.4168-159.6-3.9113.6Y282 M286 T616 L620Y282-R618 HydrophobicContact CD2-CB 4.34Å; Y282-R618 HydrophobicContact CG-CB 4.25Å; M286-R618 HydrophobicContact SD-CB 4.42Å; M286-R618 HydrophobicContact SD-CG 4.38Å; T616-R618 PolarHBondContact O-N 3.43Å; R618-L620 PolarHBondContact O-N 3.17Å
619D93.9Very high91.4Very high39 Ų3932.7 Ų32.721%0.20917%0.171CC..  trans-78.752.7-174-60.8-32.7000112.5K440 G612 T613 G614 Q615 T616 Y617K440-D619 WeakPolarHBondContact CD-O 3.36Å; K440-D619 PolarHBondContact NZ-O 2.9Å; G612-D619 WeakPolarHBondContact CA-O 3.34Å; T613-D619 PolarHBondContact N-O 3.32Å; G614-D619 WeakPolarHBondContact CA-OD2 3.42Å; Q615-D619 PolarHBondContact N-OD2 3.11Å; T616-D619 WeakPolarHBondContact CB-OD2 3.43Å; T616-D619 PolarHBondContact N-OD2 3.19Å; T616-D619 PolarHBondContact O-N 3.13Å; T616-D619 PolarHBondContact OG1-OD1 3.46Å; T616-D619 PolarHBondContact OG1-OD2 3Å; Y617-D619 VanDerWaalsContact C-N 3.33Å
620L94.4Very high91.3Very high2 Ų234.1 Ų34.11%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-130.8122.2178.7-171.771.7000108.8L290 K440 I441 W444 M583 F610 R618L290-L620 HydrophobicContact CD1-CD2 3.82Å; L290-L620 HydrophobicContact CD1-CG 3.88Å; K440-L620 HydrophobicContact CB-CB 4.19Å; K440-L620 HydrophobicContact CB-CD1 4.38Å; K440-L620 HydrophobicContact CB-CD2 4.31Å; K440-L620 HydrophobicContact CD-CB 4.34Å; I441-L620 HydrophobicContact CG1-CD1 4.28Å; I441-L620 HydrophobicContact CG1-CD2 3.84Å; W444-L620 HydrophobicContact CB-CD2 4.14Å; M583-L620 HydrophobicContact CE-CD1 3.32Å; F610-L620 HydrophobicContact CB-CD1 3.88Å; F610-L620 HydrophobicContact CD1-CD1 4.26Å; F610-L620 HydrophobicContact CD1-CD2 4.33Å; F610-L620 HydrophobicContact CD1-CG 4.27Å; F610-L620 HydrophobicContact CG-CD1 4.2Å; R618-L620 PolarHBondContact O-N 3.17Å
621K92.7Very high91.1Very high35 Ų3535 Ų3515%0.15219%0.189CC..EExtended strand (participates in β ladder)trans-133169.3-176.8-62.8-66-178.6-178.60110.8E291 I293 F610 V611 T613E291-K621 HydrophobicContact CB-CD 4.21Å; E291-K621 VanDerWaalsContact O-CD 3.28Å; E291-K621 WeakPolarHBondContact O-CD 3.49Å; E291-K621 IonicContact OE2-NZ 2.66Å; E291-K621 PolarHBondContact OE2-NZ 3.42Å; I293-K621 HydrophobicContact CG1-CB 3.97Å; F610-K621 WeakPolarHBondContact CA-O 3.02Å; V611-K621 PolarHBondContact N-O 3.41Å; V611-K621 PolarHBondContact O-N 3.16Å; T613-K621 HydrophobicContact CG2-CB 4.32Å; T613-K621 HydrophobicContact CG2-CG 3.98Å
622V91Very high91Very high54 Ų5435 Ų3533%0.32719%0.189SC..BIsolated β-bridgetrans-101.9148.3167.7174.40000109.1L290 E291 G292 I293 D624L290-V622 HydrophobicContact CB-CG2 3.82Å; L290-V622 HydrophobicContact CD1-CG2 4.26Å; E291-V622 PolarHBondContact O-N 2.79Å; G292-V622 WeakPolarHBondContact CA-O 3.48Å; I293-V622 PolarHBondContact N-O 2.86Å; V622-D624 PolarHBondContact O-N 2.89Å
623L86.1Confident90.8Very high19 Ų1935.2 Ų35.210%0.09919%0.19CC..  trans-74121.2177.4-164.781.9000110I293 L400 I608 V611 P625 V628I293-L623 HydrophobicContact CD1-CD1 4.19Å; L400-L623 HydrophobicContact CD2-CD2 4.22Å; I608-L623 HydrophobicContact CB-CB 4.41Å; I608-L623 HydrophobicContact CB-CD2 4.03Å; I608-L623 HydrophobicContact CD1-CD2 3.73Å; I608-L623 HydrophobicContact CG1-CD2 4.44Å; I608-L623 HydrophobicContact CG2-CB 4.1Å; I608-L623 HydrophobicContact CG2-CD2 4.34Å; V611-L623 HydrophobicContact CG2-CB 3.92Å; V611-L623 HydrophobicContact CG2-CD1 3.7Å; V611-L623 HydrophobicContact CG2-CG 4.47Å; L623-P625 WeakPolarHBondContact O-CD 3.37Å; L623-V628 HydrophobicContact CD1-CG2 3.44Å; L623-V628 VanDerWaalsContact CD1-CG2 3.44Å; L623-V628 HydrophobicContact CD2-CG2 4.16Å; L623-V628 HydrophobicContact CG-CG2 3.75Å
624D85.4Confident90.5Very high55 Ų5539.9 Ų39.929%0.29421%0.208SC..  trans-90113.6163.2-172.8-24.3000108.6V622 N626 V627 V628V622-D624 PolarHBondContact O-N 2.89Å; D624-N626 PolarHBondContact O-N 2.89Å; D624-N626 WeakPolarHBondContact OD1-CB 3.32Å; D624-N626 PolarHBondContact OD1-N 3.46Å; D624-N626 PolarHBondContact OD1-ND2 3.01Å; D624-V627 HydrophobicContact CB-CB 4.19Å; D624-V627 HydrophobicContact CB-CG2 3.94Å; D624-V627 PolarHBondContact O-N 2.94Å; D624-V628 WeakPolarHBondContact O-CG2 3.44Å; D624-V628 PolarHBondContact O-N 3.12Å
625P87.2Confident90.4Very high18 Ų1841.4 Ų41.412%0.11721%0.213CC..Hα-helixtrans-54.3-36.3178.1-27.436.6000113.2L400 L401 L623 V628 V629L400-P625 HydrophobicContact CB-CB 3.88Å; L400-P625 HydrophobicContact CB-CG 4.3Å; L401-P625 HydrophobicContact CD2-CG 4.22Å; L623-P625 WeakPolarHBondContact O-CD 3.37Å; P625-V628 PolarHBondContact O-N 3.32Å; P625-V629 WeakPolarHBondContact O-CB 3.45Å; P625-V629 WeakPolarHBondContact O-CG2 3.46Å; P625-V629 PolarHBondContact O-N 2.85Å
626N88.1Confident90.3Very high95 Ų9536.7 Ų36.751%0.50819%0.192SC..Hα-helixtrans-66.5-43.2-175.9-60.2-55.4000111.1D624 V628 V629 S630D624-N626 PolarHBondContact O-N 2.89Å; D624-N626 WeakPolarHBondContact OD1-CB 3.32Å; D624-N626 PolarHBondContact OD1-N 3.46Å; D624-N626 PolarHBondContact OD1-ND2 3.01Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 PolarHBondContact O-N 2.85Å; N626-V629 PolarHBondContact O-N 2.68Å; N626-S630 WeakPolarHBondContact O-CB 3.43Å; N626-S630 PolarHBondContact O-N 2.93Å; N626-S630 PolarHBondContact O-OG 3.05Å; N626-S630 VanDerWaalsContact O-OG 3.08Å
627V86.1Confident90.1Very high24 Ų2436.3 Ų36.315%0.14519%0.188CC..Hα-helixtrans-62.9-41.9178.9171.60000111.3I293 E295 D624 A631I293-V627 HydrophobicContact CG2-CG1 4.21Å; I293-V627 WeakPolarHBondContact O-CG2 3.31Å; E295-V627 HydrophobicContact CG-CB 4.21Å; E295-V627 HydrophobicContact CG-CG1 3.7Å; E295-V627 HydrophobicContact CG-CG2 3.98Å; D624-V627 HydrophobicContact CB-CB 4.19Å; D624-V627 HydrophobicContact CB-CG2 3.94Å; D624-V627 PolarHBondContact O-N 2.94Å; V627-A631 WeakPolarHBondContact O-CB 3.43Å; V627-A631 PolarHBondContact O-N 3.14Å
628V88.7Confident89.9Confident2 Ų237.9 Ų37.91%0.01220%0.197CC..Hα-helixtrans-63.5-45.9175.5179.40000110.6L400 V594 A597 L623 D624 P625 N626 A631 L632L400-V628 HydrophobicContact CD1-CB 3.89Å; L400-V628 HydrophobicContact CD1-CG1 3.63Å; V594-V628 HydrophobicContact CB-CG1 4.27Å; V594-V628 HydrophobicContact CG2-CG1 3.71Å; A597-V628 HydrophobicContact CB-CG1 4.47Å; L623-V628 HydrophobicContact CD1-CG2 3.44Å; L623-V628 VanDerWaalsContact CD1-CG2 3.44Å; L623-V628 HydrophobicContact CD2-CG2 4.16Å; L623-V628 HydrophobicContact CG-CG2 3.75Å; D624-V628 WeakPolarHBondContact O-CG2 3.44Å; D624-V628 PolarHBondContact O-N 3.12Å; P625-V628 PolarHBondContact O-N 3.32Å; N626-V628 VanDerWaalsContact C-N 3.34Å; N626-V628 PolarHBondContact O-N 2.85Å; V628-A631 PolarHBondContact O-N 3.4Å; V628-L632 HydrophobicContact CG1-CD1 3.99Å; V628-L632 HydrophobicContact CG1-CG 4.47Å; V628-L632 WeakPolarHBondContact O-CB 3.19Å; V628-L632 VanDerWaalsContact O-CG 3.27Å; V628-L632 WeakPolarHBondContact O-CG 3.24Å; V628-L632 PolarHBondContact O-N 2.86Å
629V91.8Very high89.8Confident2 Ų234.4 Ų34.41%0.01219%0.187CC..Hα-helixtrans-67.1-41-177.6174.20000111.7R393 L396 L400 P625 N626 L632 L633R393-V629 HydrophobicContact CB-CG1 4.17Å; R393-V629 HydrophobicContact CG-CG1 3.73Å; L396-V629 HydrophobicContact CB-CG1 4.29Å; L396-V629 HydrophobicContact CB-CG2 3.69Å; L396-V629 HydrophobicContact CD1-CG1 4.46Å; L400-V629 HydrophobicContact CD1-CG2 3.88Å; P625-V629 WeakPolarHBondContact O-CB 3.45Å; P625-V629 WeakPolarHBondContact O-CG2 3.46Å; P625-V629 PolarHBondContact O-N 2.85Å; N626-V629 PolarHBondContact O-N 2.68Å; V629-L632 PolarHBondContact O-N 2.94Å; V629-L633 HydrophobicContact CG1-CD1 3.8Å; V629-L633 HydrophobicContact CG1-CG 4.48Å; V629-L633 WeakPolarHBondContact O-CB 3.29Å; V629-L633 VanDerWaalsContact O-CG 3.29Å; V629-L633 WeakPolarHBondContact O-CG 3.42Å; V629-L633 PolarHBondContact O-N 3Å; V629-L633 VanDerWaalsContact O-N 3.16Å
630S91Very high89.6Confident44 Ų4434.1 Ų34.131%0.30819%0.185SC..Hα-helixtrans-59.4-48.5172.8-67.20000111.5E295 N626 L632 L633 K634E295-S630 WeakPolarHBondContact OE1-CB 3.37Å; E295-S630 PolarHBondContact OE1-OG 3.09Å; N626-S630 WeakPolarHBondContact O-CB 3.43Å; N626-S630 PolarHBondContact O-N 2.93Å; N626-S630 PolarHBondContact O-OG 3.05Å; N626-S630 VanDerWaalsContact O-OG 3.08Å; S630-L632 VanDerWaalsContact C-N 3.3Å; S630-L632 PolarHBondContact O-N 3.03Å; S630-L633 CarbonylContact O-C 3.59Å; S630-L633 PolarHBondContact O-N 3.34Å; S630-L633 VanDerWaalsContact O-N 3.11Å; S630-K634 WeakPolarHBondContact O-CB 3.32Å; S630-K634 PolarHBondContact O-N 3.46Å
631A90.3Very high89.2Confident23 Ų2336.4 Ų36.419%0.1920%0.198CC..Hα-helixtrans-62.5-34.7178.700000113.3K355 V594 V627 V628 L633K355-A631 PolarHBondContact NZ-O 3.05Å; K355-A631 VanDerWaalsContact NZ-O 3.16Å; V594-A631 HydrophobicContact CG2-CB 4.11Å; V627-A631 WeakPolarHBondContact O-CB 3.43Å; V627-A631 PolarHBondContact O-N 3.14Å; V628-A631 PolarHBondContact O-N 3.4Å; A631-L633 VanDerWaalsContact C-N 3.31Å
632L91.1Very high88.9Confident0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-72.9-19.3175.7-74174.7000114.5H351 K355 V357 L396 V594 V598 V628 V629 S630H351-L632 PolarHBondContact CD2-O 3.21Å; H351-L632 VanDerWaalsContact CD2-O 3.28Å; H351-L632 PolarHBondContact NE2-O 3.14Å; K355-L632 HydrophobicContact CB-CD2 3.7Å; K355-L632 HydrophobicContact CG-CD2 4.48Å; V357-L632 HydrophobicContact CG2-CD2 4.16Å; L396-L632 HydrophobicContact CD1-CB 4.44Å; L396-L632 HydrophobicContact CD1-CD1 4.21Å; V594-L632 HydrophobicContact CG2-CD1 4.21Å; V594-L632 HydrophobicContact CG2-CD2 3.54Å; V594-L632 HydrophobicContact CG2-CG 3.47Å; V594-L632 VanDerWaalsContact CG2-CG 3.47Å; V598-L632 HydrophobicContact CG2-CD1 3.43Å; V598-L632 VanDerWaalsContact CG2-CD1 3.43Å; V628-L632 HydrophobicContact CG1-CD1 3.99Å; V628-L632 HydrophobicContact CG1-CG 4.47Å; V628-L632 WeakPolarHBondContact O-CB 3.19Å; V628-L632 VanDerWaalsContact O-CG 3.27Å; V628-L632 WeakPolarHBondContact O-CG 3.24Å; V628-L632 PolarHBondContact O-N 2.86Å; V629-L632 PolarHBondContact O-N 2.94Å; S630-L632 VanDerWaalsContact C-N 3.3Å; S630-L632 PolarHBondContact O-N 3.03Å
633L92.2Very high88.8Confident5 Ų535 Ų353%0.02619%0.191CC..Hα-helixtrans-114.3-2-175.4-65.2179.7000113.2M348 K389 V392 R393 L396 V629 S630 A631M348-L633 HydrophobicContact CE-CD2 4.47Å; M348-L633 HydrophobicContact SD-CD2 3.97Å; K389-L633 WeakPolarHBondContact CE-O 3.39Å; K389-L633 PolarHBondContact NZ-O 3.06Å; V392-L633 HydrophobicContact CG1-CD2 3.99Å; R393-L633 HydrophobicContact CB-CD1 3.54Å; R393-L633 HydrophobicContact CG-CD1 4.23Å; L396-L633 HydrophobicContact CD1-CD2 4.38Å; L396-L633 HydrophobicContact CD1-CG 4.46Å; V629-L633 HydrophobicContact CG1-CD1 3.8Å; V629-L633 HydrophobicContact CG1-CG 4.48Å; V629-L633 WeakPolarHBondContact O-CB 3.29Å; V629-L633 VanDerWaalsContact O-CG 3.29Å; V629-L633 WeakPolarHBondContact O-CG 3.42Å; V629-L633 PolarHBondContact O-N 3Å; V629-L633 VanDerWaalsContact O-N 3.16Å; S630-L633 CarbonylContact O-C 3.59Å; S630-L633 PolarHBondContact O-N 3.34Å; S630-L633 VanDerWaalsContact O-N 3.11Å; A631-L633 VanDerWaalsContact C-N 3.31Å
634K87.2Confident89Confident133 Ų13336.5 Ų36.558%0.57820%0.199SC*.  trans-78.40167.5-171.1173-173.6168.70108.2S298 K355 S630S298-K634 PolarHBondContact O-NZ 3.47Å; S298-K634 PolarHBondContact OG-NZ 3.5Å; S298-K634 VanDerWaalsContact OG-NZ 3.16Å; K355-K634 WeakPolarHBondContact CE-OXT 3.32Å; K355-K634 PolarHBondContact NZ-OXT 3.27Å; S630-K634 WeakPolarHBondContact O-CB 3.32Å; S630-K634 PolarHBondContact O-N 3.46Å

Retrieved 634 of 634 residues in 542.4 ms (Link to these results)

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