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Adenosine deaminase 2

Adenosine deaminase that may contribute to the degradation of extracellular adenosine, a signaling molecule that controls a variety of cellular responses. Requires elevated adenosine levels for optimal enzyme activity. Binds to cell surfaces via proteoglycans and may play a role in the regulation of cell proliferation and differentiation, independently of its enzyme activity.

AlphaFold DB , UniProt , Accession A0A087X0I3, Species HUMAN (Homo sapiens, Human), Gene ADA2, Length 391 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
1M93.4Very high97.2Very high26 Ų2645.8 Ų45.813%0.12820%0.199CC..  0-30.20-72.3-54.9-178.300113.9W3 L4 V5 L63 F66 T67 I94 A324 M325M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 3.36Å; M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 HydrophobicContact SD-CD1 3.71Å; M1-V5 PolarHBondContact O-N 3.38Å; M1-L63 HydrophobicContact CB-CD1 3.74Å; M1-F66 HydrophobicContact CB-CB 4.34Å; M1-F66 HydrophobicContact CG-CB 4.22Å; M1-F66 WeakPolarHBondContact CG-O 3.18Å; M1-F66 HydrophobicContact SD-CB 4.31Å; M1-T67 HydrophobicContact CB-CG2 3.85Å; M1-T67 HydrophobicContact CG-CG2 3.76Å; M1-I94 HydrophobicContact CE-CD1 3.73Å; M1-I94 HydrophobicContact SD-CD1 4.5Å; M1-A324 HydrophobicContact CE-CB 3.98Å; M1-A324 HydrophobicContact CG-CB 4.1Å; M1-A324 VanDerWaalsContact CG-O 3.26Å; M1-A324 WeakPolarHBondContact CG-O 3.38Å; M1-A324 HydrophobicContact SD-CB 4.36Å; M1-M325 HydrophobicContact CE-CE 4.22Å; M1-M325 HydrophobicContact CE-CG 3.62Å
2D94.6Very high97.3Very high76 Ų7649.9 Ų49.941%0.40623%0.233SC..Hα-helixtrans-51.1-39.8178.1-75.4-82.7000114.9L4 V5 R6D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.27Å; D2-V5 PolarHBondContact O-N 2.84Å; D2-R6 WeakPolarHBondContact O-CB 3.33Å; D2-R6 PolarHBondContact O-N 2.92Å; D2-R6 IonicContact OD1-NE 2.86Å; D2-R6 PolarHBondContact OD1-NE 3.5Å; D2-R6 IonicContact OD1-NH2 3.4Å
3W97.2Very high97.3Very high44 Ų4451.2 Ų51.217%0.16724%0.239CC..Hα-helixtrans-60.6-38.8177.5177.281.7000112.5M1 N7 V8 V103 D106 Y107 R110M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 3.36Å; W3-N7 HydrophobicContact CG-CB 4.33Å; W3-N7 WeakPolarHBondContact O-CA 3.4Å; W3-N7 WeakPolarHBondContact O-CB 3.47Å; W3-N7 PolarHBondContact O-N 3.3Å; W3-V8 HydrophobicContact CD2-CG2 4.18Å; W3-V8 HydrophobicContact CE3-CG2 3.82Å; W3-V8 HydrophobicContact CH2-CG2 3.38Å; W3-V8 HydrophobicContact CZ2-CG2 3.77Å; W3-V8 HydrophobicContact CZ3-CG2 3.4Å; W3-V8 VanDerWaalsContact CZ3-CG2 3.4Å; W3-V8 PolarHBondContact O-N 3.21Å; W3-V103 HydrophobicContact CH2-CG1 4.32Å; W3-V103 HydrophobicContact CZ3-CG1 4.46Å; W3-D106 HydrophobicContact CH2-CB 3.53Å; W3-D106 HydrophobicContact CZ2-CB 3.63Å; W3-Y107 HydrophobicContact CE3-CD2 4.31Å; W3-Y107 AromaticContact CZ3-CD2 3.89Å; W3-Y107 HydrophobicContact CZ3-CD2 3.89Å; W3-R110 HydrophobicContact CD2-CG 4.46Å
4L97.8Very high97.4Very high2 Ų247.6 Ų47.61%0.0122%0.223CC..Hα-helixtrans-62.5-47.6174.8-69.6178.7000110.7M1 D2 V8 T9 F66 I98 Y107M1-L4 WeakPolarHBondContact O-CB 3.46Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-L4 HydrophobicContact SD-CD1 3.71Å; D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.27Å; L4-V8 HydrophobicContact CD2-CB 4.17Å; L4-V8 HydrophobicContact CD2-CG1 4.48Å; L4-V8 HydrophobicContact CD2-CG2 3.84Å; L4-V8 WeakPolarHBondContact O-CA 3.47Å; L4-V8 WeakPolarHBondContact O-CB 3.3Å; L4-V8 PolarHBondContact O-N 3.17Å; L4-V8 VanDerWaalsContact O-N 3.14Å; L4-T9 WeakPolarHBondContact O-CG2 3.42Å; L4-T9 PolarHBondContact O-N 3.34Å; L4-F66 HydrophobicContact CB-CD2 4.33Å; L4-F66 HydrophobicContact CB-CE2 4.27Å; L4-I98 HydrophobicContact CD1-CD1 4.02Å; L4-I98 HydrophobicContact CD1-CG1 4.12Å; L4-I98 HydrophobicContact CD2-CG1 4.18Å; L4-Y107 HydrophobicContact CD1-CE2 4.12Å; L4-Y107 HydrophobicContact CD2-CD2 4.04Å; L4-Y107 HydrophobicContact CD2-CE2 4.35Å; L4-Y107 HydrophobicContact CG-CD2 4.47Å; L4-Y107 HydrophobicContact CG-CE2 4.34Å
5V97.8Very high97.5Very high0 Ų044.7 Ų44.70%021%0.209CC..Hα-helixtrans-65.5-57.1-178.9176.50000110.9M1 D2 T9 Y10 D59 L62 L63 F66M1-V5 PolarHBondContact O-N 3.38Å; D2-V5 PolarHBondContact O-N 2.84Å; V5-T9 PolarHBondContact O-OG1 3.43Å; V5-Y10 WeakPolarHBondContact O-CD2 3.27Å; V5-D59 HydrophobicContact CG1-CB 3.81Å; V5-D59 WeakPolarHBondContact CG1-O 3.48Å; V5-L62 HydrophobicContact CG1-CB 4.1Å; V5-L62 HydrophobicContact CG1-CD1 4.4Å; V5-L62 HydrophobicContact CG2-CB 4Å; V5-L63 HydrophobicContact CG2-CB 4.28Å; V5-L63 HydrophobicContact CG2-CD1 4.31Å; V5-F66 HydrophobicContact CG2-CD2 3.59Å; V5-F66 HydrophobicContact CG2-CE2 3.73Å; V5-F66 HydrophobicContact CG2-CG 4.48Å
6R96.3Very high97.5Very high121 Ų12141.9 Ų41.946%0.45720%0.196SC..Hα-helixtrans-85.8-12.5-167.6-57.3-179-173.8-77.5-3.8113.8D2 Y10 D60D2-R6 WeakPolarHBondContact O-CB 3.33Å; D2-R6 PolarHBondContact O-N 2.92Å; D2-R6 IonicContact OD1-NE 2.86Å; D2-R6 PolarHBondContact OD1-NE 3.5Å; D2-R6 IonicContact OD1-NH2 3.4Å; R6-Y10 WeakPolarHBondContact O-CD2 3.43Å; R6-D60 IonicContact NH2-OD1 3.86Å; R6-D60 PolarHBondContact NH2-OD1 3.16Å
7N98.1Very high97.4Very high70 Ų7039.4 Ų39.437%0.37418%0.184SC..THydrogen-bonded Turntrans-119.4-60.7176.3-170.6-78.9000111.8W3 T9 Y10 R11W3-N7 HydrophobicContact CG-CB 4.33Å; W3-N7 WeakPolarHBondContact O-CA 3.4Å; W3-N7 WeakPolarHBondContact O-CB 3.47Å; W3-N7 PolarHBondContact O-N 3.3Å; N7-T9 PolarHBondContact O-N 2.94Å; N7-Y10 WeakPolarHBondContact O-CB 3.38Å; N7-Y10 PolarHBondContact O-N 3.48Å; N7-Y10 VanDerWaalsContact O-N 3.14Å; N7-R11 PolarHBondContact O-N 2.99Å; N7-R11 PolarHBondContact OD1-NE 3.43Å; N7-R11 PolarHBondContact OD1-NH2 3.49Å
8V98.5Very high97.2Very high0 Ų041.4 Ų41.40%019%0.192CC..G310 helixtrans-65.2-46.1-170.9174.60000112.1W3 L4 Y10 R11 F28 L97 V103W3-V8 HydrophobicContact CD2-CG2 4.18Å; W3-V8 HydrophobicContact CE3-CG2 3.82Å; W3-V8 HydrophobicContact CH2-CG2 3.38Å; W3-V8 HydrophobicContact CZ2-CG2 3.77Å; W3-V8 HydrophobicContact CZ3-CG2 3.4Å; W3-V8 VanDerWaalsContact CZ3-CG2 3.4Å; W3-V8 PolarHBondContact O-N 3.21Å; L4-V8 HydrophobicContact CD2-CB 4.17Å; L4-V8 HydrophobicContact CD2-CG1 4.48Å; L4-V8 HydrophobicContact CD2-CG2 3.84Å; L4-V8 WeakPolarHBondContact O-CA 3.47Å; L4-V8 WeakPolarHBondContact O-CB 3.3Å; L4-V8 PolarHBondContact O-N 3.17Å; L4-V8 VanDerWaalsContact O-N 3.14Å; V8-Y10 PolarHBondContact O-N 3.37Å; V8-Y10 VanDerWaalsContact O-N 3.09Å; V8-R11 VanDerWaalsContact O-CB 3.31Å; V8-R11 WeakPolarHBondContact O-CB 3.11Å; V8-R11 WeakPolarHBondContact O-CG 3.45Å; V8-R11 PolarHBondContact O-N 3.17Å; V8-F28 HydrophobicContact CG1-CE2 4Å; V8-F28 HydrophobicContact CG1-CZ 3.81Å; V8-L97 HydrophobicContact CG1-CB 4.23Å; V8-L97 HydrophobicContact CG1-CD2 4.21Å; V8-V103 HydrophobicContact CB-CG1 4.48Å; V8-V103 HydrophobicContact CG1-CB 4.37Å; V8-V103 HydrophobicContact CG1-CG1 3.74Å; V8-V103 HydrophobicContact CG1-CG2 3.65Å; V8-V103 HydrophobicContact CG2-CG1 3.89Å; V8-V103 HydrophobicContact CG2-CG2 4.37Å
9T98.4Very high97Very high1 Ų140.2 Ų40.21%0.00619%0.188CC..G310 helixtrans-70-6.4-179.875.90000113.9L4 V5 N7 F26 R49 L62 F66 L97L4-T9 WeakPolarHBondContact O-CG2 3.42Å; L4-T9 PolarHBondContact O-N 3.34Å; V5-T9 PolarHBondContact O-OG1 3.43Å; N7-T9 PolarHBondContact O-N 2.94Å; T9-F26 HydrophobicContact CG2-CE1 4.34Å; T9-R49 PolarHBondContact O-NH1 3.49Å; T9-R49 PolarHBondContact OG1-NH2 3.38Å; T9-L62 HydrophobicContact CG2-CD1 4.31Å; T9-F66 HydrophobicContact CG2-CE2 4.48Å; T9-L97 HydrophobicContact CG2-CD1 3.72Å; T9-L97 HydrophobicContact CG2-CD2 4.17Å
10Y98.4Very high96.7Very high109 Ų10943.9 Ų43.943%0.42722%0.216SC..G310 helixtrans-93.6-7172.7-79.5-94000113.1V5 R6 N7 V8 R49 V55 D59V5-Y10 WeakPolarHBondContact O-CD2 3.27Å; R6-Y10 WeakPolarHBondContact O-CD2 3.43Å; N7-Y10 WeakPolarHBondContact O-CB 3.38Å; N7-Y10 PolarHBondContact O-N 3.48Å; N7-Y10 VanDerWaalsContact O-N 3.14Å; V8-Y10 PolarHBondContact O-N 3.37Å; V8-Y10 VanDerWaalsContact O-N 3.09Å; Y10-R49 VanDerWaalsContact CZ-NE 3.32Å; Y10-R49 PolarHBondContact OH-NE 3.01Å; Y10-V55 WeakPolarHBondContact OH-CG1 3.45Å; Y10-D59 VanDerWaalsContact CE2-OD2 3.31Å; Y10-D59 WeakPolarHBondContact CE2-OD2 3.33Å; Y10-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y10-D59 VanDerWaalsContact OH-CG 3.31Å; Y10-D59 PolarHBondContact OH-OD1 3.4Å; Y10-D59 PolarHBondContact OH-OD2 2.9Å
11R98.4Very high96.3Very high55 Ų5552.6 Ų52.621%0.20825%0.246CC..SBendtrans-68.3148.2179-67.6179.1-172.9-154.8-1.9110.9N7 V8 C14 F28 D106N7-R11 PolarHBondContact O-N 2.99Å; N7-R11 PolarHBondContact OD1-NE 3.43Å; N7-R11 PolarHBondContact OD1-NH2 3.49Å; V8-R11 VanDerWaalsContact O-CB 3.31Å; V8-R11 WeakPolarHBondContact O-CB 3.11Å; V8-R11 WeakPolarHBondContact O-CG 3.45Å; V8-R11 PolarHBondContact O-N 3.17Å; R11-C14 WeakPolarHBondContact O-CB 3.4Å; R11-C14 PolarHBondContact O-N 2.94Å; R11-F28 HydrophobicContact CB-CE1 3.72Å; R11-F28 HydrophobicContact CB-CZ 4.15Å; R11-D106 IonicContact CZ-OD2 3.15Å; R11-D106 IonicContact NH1-OD2 2.61Å; R11-D106 PolarHBondContact NH1-OD2 2.66Å; R11-D106 IonicContact NH2-OD2 2.68Å; R11-D106 PolarHBondContact NH2-OD2 3.12Å
12P98.2Very high96.1Very high95 Ų9553.7 Ų53.762%0.61726%0.264SS*.THydrogen-bonded Turntrans-54152.4176.4-25.534.3000112.3C14P12-C14 PolarHBondContact O-N 3.17Å; P12-C14 VanDerWaalsContact O-N 3.07Å
13H98.3Very high96Very high66 Ų6652.3 Ų52.331%0.30626%0.257SS..THydrogen-bonded Turntrans63.29.3176.4-49.6-56.7000115.7H15 F28 A29 H30 L135H13-H15 PolarHBondContact O-CE1 3.41Å; H13-H15 PolarHBondContact O-N 2.85Å; H13-H15 PolarHBondContact O-ND1 3.24Å; H13-F28 WeakPolarHBondContact O-CA 3.27Å; H13-A29 WeakPolarHBondContact CB-O 3.43Å; H13-A29 PolarHBondContact O-N 3.3Å; H13-A29 VanDerWaalsContact O-N 3.12Å; H13-H30 AromaticContact CE1-CG 3.88Å; H13-H30 AromaticContact CE1-ND1 3.69Å; H13-H30 AromaticContact ND1-CG 3.95Å; H13-H30 AromaticContact ND1-ND1 3.71Å; H13-L135 HydrophobicContact CB-CD1 3.9Å
14C98.6Very high95.9Very high2 Ų251 Ų511%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-76.1119.4172.1-160.90000110R11 P12 F28 L45 L97R11-C14 WeakPolarHBondContact O-CB 3.4Å; R11-C14 PolarHBondContact O-N 2.94Å; P12-C14 PolarHBondContact O-N 3.17Å; P12-C14 VanDerWaalsContact O-N 3.07Å; C14-F28 HydrophobicContact CB-CD1 4.02Å; C14-F28 HydrophobicContact CB-CE1 3.51Å; C14-F28 HydrophobicContact CB-CE2 4.42Å; C14-F28 HydrophobicContact CB-CZ 3.74Å; C14-F28 VanDerWaalsContact SG-CZ 3.52Å; C14-L45 HydrophobicContact CB-CD1 4Å; C14-L45 WeakPolarHBondContact O-CB 3.22Å; C14-L45 PolarHBondContact O-N 3.46Å; C14-L45 WeakPolarHBondContact SG-CD1 3.29Å; C14-L97 VanDerWaalsContact SG-CD2 3.54Å
15H98.4Very high95.8Very high3 Ų352.2 Ų52.21%0.01426%0.258CS..EExtended strand (participates in β ladder)trans-107.4150.4177.2-61.774.3000110.6H13 F26 R27 A29 T32 W42 I43H13-H15 PolarHBondContact O-CE1 3.41Å; H13-H15 PolarHBondContact O-N 2.85Å; H13-H15 PolarHBondContact O-ND1 3.24Å; H15-F26 CarbonylContact O-C 3.54Å; H15-F26 VanDerWaalsContact O-CA 3.25Å; H15-F26 WeakPolarHBondContact O-CA 3.48Å; H15-R27 WeakPolarHBondContact CB-O 3.44Å; H15-R27 PolarHBondContact N-O 3.45Å; H15-R27 PolarHBondContact O-N 2.87Å; H15-A29 PolarHBondContact CE1-O 3.14Å; H15-T32 PolarHBondContact NE2-OG1 2.79Å; H15-W42 HydrophobicContact CB-CB 4.34Å; H15-W42 HydrophobicContact CB-CE3 3.73Å; H15-W42 HydrophobicContact CB-CZ3 4.47Å; H15-I43 CarbonylContact C-O 3.56Å; H15-I43 WeakPolarHBondContact CA-O 3.36Å
16I97.5Very high95.8Very high0 Ų052.4 Ų52.40%026%0.259CS..EExtended strand (participates in β ladder)trans-117.3146.1170.1-170.6170.1000110F18 M24 Q25 F26 I43 L45 Y48 F58I16-F18 HydrophobicContact CD1-CE1 4.34Å; I16-F18 HydrophobicContact CD1-CE2 4.28Å; I16-F18 HydrophobicContact CD1-CZ 3.81Å; I16-F18 HydrophobicContact CG1-CE2 4.35Å; I16-F18 HydrophobicContact CG1-CZ 4.32Å; I16-M24 HydrophobicContact CD1-CG 4.23Å; I16-M24 HydrophobicContact CD1-SD 4.07Å; I16-Q25 CarbonylContact C-O 3.53Å; I16-Q25 WeakPolarHBondContact CA-O 3.41Å; I16-F26 HydrophobicContact CB-CD1 4.27Å; I16-F26 HydrophobicContact CB-CE1 4.18Å; I16-F26 HydrophobicContact CD1-CE1 3.77Å; I16-F26 HydrophobicContact CD1-CZ 3.95Å; I16-F26 HydrophobicContact CG1-CD1 4.3Å; I16-F26 HydrophobicContact CG1-CE1 3.92Å; I16-F26 HydrophobicContact CG1-CZ 4.3Å; I16-I43 HydrophobicContact CG2-CB 4.34Å; I16-I43 PolarHBondContact N-O 3.01Å; I16-I43 PolarHBondContact O-N 3.07Å; I16-L45 HydrophobicContact CB-CD1 4.39Å; I16-L45 HydrophobicContact CB-CD2 3.82Å; I16-L45 HydrophobicContact CB-CG 3.88Å; I16-L45 HydrophobicContact CD1-CD2 4.23Å; I16-L45 HydrophobicContact CG2-CD2 3.66Å; I16-L45 HydrophobicContact CG2-CG 3.89Å; I16-Y48 HydrophobicContact CG2-CG 4.4Å; I16-F58 HydrophobicContact CD1-CZ 4.23Å
17C95.9Very high95.8Very high0 Ų051 Ų510%025%0.253CS..EExtended strand (participates in β ladder)trans-136.7152.9171.3158.80000109.1M24 Q25 C39 W42C17-M24 WeakPolarHBondContact O-CA 3.4Å; C17-Q25 HydrophobicContact CB-CB 4.4Å; C17-Q25 PolarHBondContact N-O 2.62Å; C17-Q25 PolarHBondContact O-N 3.43Å; C17-C39 HydrophobicContact CB-CB 3.91Å; C17-C39 WeakPolarHBondContact CB-SG 3.22Å; C17-C39 WeakPolarHBondContact SG-CA 3.35Å; C17-C39 WeakPolarHBondContact SG-CB 3.28Å; C17-C39 CovalentContact SG-SG 2.03Å; C17-C39 PolarHBondContact SG-SG 3.25Å; C17-W42 HydrophobicContact CB-CD2 3.79Å; C17-W42 HydrophobicContact CB-CE3 3.53Å; C17-W42 HydrophobicContact CB-CH2 3.98Å; C17-W42 HydrophobicContact CB-CZ2 4.19Å; C17-W42 HydrophobicContact CB-CZ3 3.63Å
18F94.4Very high95.8Very high75 Ų7547.8 Ų47.833%0.32924%0.236SC..EExtended strand (participates in β ladder)trans-113.6122.6169.2-57-91.4000108.6I16 M24 Y48I16-F18 HydrophobicContact CD1-CE1 4.34Å; I16-F18 HydrophobicContact CD1-CE2 4.28Å; I16-F18 HydrophobicContact CD1-CZ 3.81Å; I16-F18 HydrophobicContact CG1-CE2 4.35Å; I16-F18 HydrophobicContact CG1-CZ 4.32Å; F18-M24 HydrophobicContact CD1-CG 3.68Å; F18-M24 HydrophobicContact CE1-CG 3.42Å; F18-M24 VanDerWaalsContact CE1-CG 3.42Å; F18-M24 HydrophobicContact CE1-SD 4Å; F18-M24 HydrophobicContact CZ-CG 4.35Å; F18-Y48 HydrophobicContact CE2-CE2 4.21Å
19T92.8Very high95.8Very high19 Ų1948.2 Ų48.212%0.11724%0.24CC..  trans-64.8166.3175.364.40000111R21 G22 I23 Q25 K38T19-R21 PolarHBondContact O-N 2.88Å; T19-R21 PolarHBondContact OG1-N 2.84Å; T19-G22 WeakPolarHBondContact O-CA 3.3Å; T19-G22 PolarHBondContact O-N 2.85Å; T19-I23 HydrophobicContact CG2-CB 4.39Å; T19-I23 WeakPolarHBondContact CG2-O 3.39Å; T19-I23 PolarHBondContact N-O 3.21Å; T19-I23 WeakPolarHBondContact OG1-CB 3.45Å; T19-I23 PolarHBondContact OG1-N 2.83Å; T19-I23 PolarHBondContact OG1-O 3.14Å; T19-Q25 HydrophobicContact CG2-CG 3.83Å; T19-K38 WeakPolarHBondContact CA-O 3.5Å; T19-K38 WeakPolarHBondContact CG2-O 3.37Å
20P90.4Very high95.7Very high114 Ų11454.3 Ų54.374%0.7427%0.268SS*.THydrogen-bonded Turntrans-56.3-23.2174-27.536.2000114.5G22P20-G22 VanDerWaalsContact C-N 3.32Å
21R88.8Confident95.5Very high227 Ų22754.1 Ų54.186%0.85728%0.28SS*.THydrogen-bonded Turntrans-88.96.3175.3-63-175.4-178.3177.20.3113.5T19 I23T19-R21 PolarHBondContact O-N 2.88Å; T19-R21 PolarHBondContact OG1-N 2.84Å; R21-I23 VanDerWaalsContact C-N 3.26Å; R21-I23 HydrophobicContact CB-CD1 4.42Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 2.83Å
22G90Very high95.3Very high49 Ų4955.2 Ų55.251%0.50529%0.293SS..SBendtrans77.62.3-178.600000115.1T19 P20T19-G22 WeakPolarHBondContact O-CA 3.3Å; T19-G22 PolarHBondContact O-N 2.85Å; P20-G22 VanDerWaalsContact C-N 3.32Å
23I92Very high95.1Very high47 Ų4751.7 Ų51.724%0.24127%0.27CS..  trans-71.7133178-56.6170.1000109.5T19 R21 T89 F92T19-I23 HydrophobicContact CG2-CB 4.39Å; T19-I23 WeakPolarHBondContact CG2-O 3.39Å; T19-I23 PolarHBondContact N-O 3.21Å; T19-I23 WeakPolarHBondContact OG1-CB 3.45Å; T19-I23 PolarHBondContact OG1-N 2.83Å; T19-I23 PolarHBondContact OG1-O 3.14Å; R21-I23 VanDerWaalsContact C-N 3.26Å; R21-I23 HydrophobicContact CB-CD1 4.42Å; R21-I23 HydrophobicContact CB-CG1 4.41Å; R21-I23 PolarHBondContact O-N 2.83Å; I23-T89 HydrophobicContact CD1-CG2 4.39Å; I23-T89 HydrophobicContact CG1-CG2 4.41Å; I23-T89 HydrophobicContact CG2-CG2 3.95Å; I23-F92 HydrophobicContact CG2-CD1 3.9Å; I23-F92 HydrophobicContact CG2-CE1 4.13Å
24M94.8Very high94.8Very high15 Ų1559.3 Ų59.37%0.07430%0.296CS..EExtended strand (participates in β ladder)trans-74.2141.2176.9-76179.4-96.600111.8I16 C17 F18 F26 L62 N65 T93I16-M24 HydrophobicContact CD1-CG 4.23Å; I16-M24 HydrophobicContact CD1-SD 4.07Å; C17-M24 WeakPolarHBondContact O-CA 3.4Å; F18-M24 HydrophobicContact CD1-CG 3.68Å; F18-M24 HydrophobicContact CE1-CG 3.42Å; F18-M24 VanDerWaalsContact CE1-CG 3.42Å; F18-M24 HydrophobicContact CE1-SD 4Å; F18-M24 HydrophobicContact CZ-CG 4.35Å; M24-F26 HydrophobicContact CB-CE2 4.14Å; M24-F26 HydrophobicContact CB-CZ 4.44Å; M24-L62 HydrophobicContact CE-CD2 4.5Å; M24-L62 HydrophobicContact SD-CD2 3.59Å; M24-L62 VanDerWaalsContact SD-CD2 3.59Å; M24-N65 HydrophobicContact CE-CB 3.48Å; M24-N65 VanDerWaalsContact CE-CB 3.48Å; M24-N65 WeakPolarHBondContact CE-ND2 3.42Å; M24-T93 HydrophobicContact CB-CG2 4.04Å
25Q95.8Very high94.4Very high28 Ų2863.8 Ų63.813%0.13133%0.325CS..EExtended strand (participates in β ladder)trans-134.1144.8174-71.7-66.3-76.900109.5I16 C17 T19 W42 F92I16-Q25 CarbonylContact C-O 3.53Å; I16-Q25 WeakPolarHBondContact CA-O 3.41Å; C17-Q25 HydrophobicContact CB-CB 4.4Å; C17-Q25 PolarHBondContact N-O 2.62Å; C17-Q25 PolarHBondContact O-N 3.43Å; T19-Q25 HydrophobicContact CG2-CG 3.83Å; Q25-W42 HydrophobicContact CB-CH2 4.09Å; Q25-F92 VanDerWaalsContact CD-CZ 3.4Å; Q25-F92 HydrophobicContact CG-CE1 3.98Å; Q25-F92 HydrophobicContact CG-CZ 4.23Å; Q25-F92 PolarHBondContact NE2-O 3.38Å; Q25-F92 VanDerWaalsContact OE1-CZ 3.32Å
26F97.6Very high94.1Very high4 Ų466.7 Ų66.72%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-122.4152.9179.7-60.3-90.7000111T9 H15 I16 M24 L45 L62 F66 T93 G96 L97T9-F26 HydrophobicContact CG2-CE1 4.34Å; H15-F26 CarbonylContact O-C 3.54Å; H15-F26 VanDerWaalsContact O-CA 3.25Å; H15-F26 WeakPolarHBondContact O-CA 3.48Å; I16-F26 HydrophobicContact CB-CD1 4.27Å; I16-F26 HydrophobicContact CB-CE1 4.18Å; I16-F26 HydrophobicContact CD1-CE1 3.77Å; I16-F26 HydrophobicContact CD1-CZ 3.95Å; I16-F26 HydrophobicContact CG1-CD1 4.3Å; I16-F26 HydrophobicContact CG1-CE1 3.92Å; I16-F26 HydrophobicContact CG1-CZ 4.3Å; M24-F26 HydrophobicContact CB-CE2 4.14Å; M24-F26 HydrophobicContact CB-CZ 4.44Å; F26-L45 HydrophobicContact CD1-CD1 3.85Å; F26-L45 HydrophobicContact CE1-CD1 3.96Å; F26-L62 HydrophobicContact CZ-CD2 4.01Å; F26-F66 HydrophobicContact CD2-CZ 4.44Å; F26-F66 AromaticContact CE2-CE1 3.62Å; F26-F66 HydrophobicContact CE2-CE1 3.62Å; F26-F66 AromaticContact CE2-CZ 3.6Å; F26-F66 HydrophobicContact CE2-CZ 3.6Å; F26-F66 AromaticContact CZ-CE1 3.9Å; F26-F66 HydrophobicContact CZ-CE1 3.9Å; F26-F66 AromaticContact CZ-CZ 3.65Å; F26-F66 HydrophobicContact CZ-CZ 3.65Å; F26-T93 VanDerWaalsContact CD2-O 3.31Å; F26-T93 WeakPolarHBondContact CD2-O 3.36Å; F26-T93 HydrophobicContact CE2-CG2 3.93Å; F26-G96 WeakPolarHBondContact O-CA 2.99Å; F26-L97 HydrophobicContact CB-CD1 4.46Å; F26-L97 HydrophobicContact CB-CD2 3.41Å; F26-L97 VanDerWaalsContact CB-CD2 3.41Å; F26-L97 HydrophobicContact CB-CG 3.59Å; F26-L97 HydrophobicContact CD1-CD1 4.34Å; F26-L97 HydrophobicContact CD1-CD2 3.82Å; F26-L97 HydrophobicContact CD1-CG 4.24Å; F26-L97 HydrophobicContact CD2-CD1 4.03Å; F26-L97 HydrophobicContact CD2-CD2 4.43Å; F26-L97 HydrophobicContact CD2-CG 3.99Å; F26-L97 HydrophobicContact CE2-CD1 4.4Å; F26-L97 HydrophobicContact CG-CD1 4.01Å; F26-L97 HydrophobicContact CG-CD2 3.63Å; F26-L97 HydrophobicContact CG-CG 3.67Å
27R97.3Very high93.4Very high92 Ų9275.7 Ų75.735%0.34739%0.388SS..EExtended strand (participates in β ladder)trans-157.3133.4173.4-173.4166.6-176.7142.24.8111.5H15 A29 P33 W42 Y133H15-R27 WeakPolarHBondContact CB-O 3.44Å; H15-R27 PolarHBondContact N-O 3.45Å; H15-R27 PolarHBondContact O-N 2.87Å; R27-A29 HydrophobicContact CG-CB 4.47Å; R27-P33 HydrophobicContact CB-CG 4.49Å; R27-P33 HydrophobicContact CG-CG 4.25Å; R27-W42 HydrophobicContact CB-CE3 4.21Å; R27-W42 HydrophobicContact CB-CH2 3.64Å; R27-W42 HydrophobicContact CB-CZ2 4.29Å; R27-W42 HydrophobicContact CB-CZ3 3.6Å; R27-Y133 HydrophobicContact CG-CE2 4.45Å
28F98.4Very high92.9Very high2 Ų282.9 Ų82.91%0.00942%0.419CS..EExtended strand (participates in β ladder)trans-84.8126.2165.2-72.8-91.2000109.5V8 R11 H13 C14 L97 Y100 V103 Y133 L135V8-F28 HydrophobicContact CG1-CE2 4Å; V8-F28 HydrophobicContact CG1-CZ 3.81Å; R11-F28 HydrophobicContact CB-CE1 3.72Å; R11-F28 HydrophobicContact CB-CZ 4.15Å; H13-F28 WeakPolarHBondContact O-CA 3.27Å; C14-F28 HydrophobicContact CB-CD1 4.02Å; C14-F28 HydrophobicContact CB-CE1 3.51Å; C14-F28 HydrophobicContact CB-CE2 4.42Å; C14-F28 HydrophobicContact CB-CZ 3.74Å; C14-F28 VanDerWaalsContact SG-CZ 3.52Å; F28-L97 HydrophobicContact CE2-CD2 3.89Å; F28-L97 HydrophobicContact CZ-CD2 4.49Å; F28-Y100 HydrophobicContact CB-CD1 3.69Å; F28-Y100 HydrophobicContact CB-CD2 3.81Å; F28-Y100 HydrophobicContact CB-CE1 3.96Å; F28-Y100 HydrophobicContact CB-CE2 4.09Å; F28-Y100 HydrophobicContact CB-CG 3.62Å; F28-Y100 AromaticContact CD1-CD1 3.63Å; F28-Y100 HydrophobicContact CD1-CD1 3.63Å; F28-Y100 AromaticContact CD1-CE1 3.62Å; F28-Y100 HydrophobicContact CD1-CE1 3.62Å; F28-Y100 HydrophobicContact CD1-CG 4.42Å; F28-Y100 AromaticContact CD2-CD1 3.37Å; F28-Y100 HydrophobicContact CD2-CD1 3.37Å; F28-Y100 HydrophobicContact CD2-CE1 4.23Å; F28-Y100 AromaticContact CD2-CG 3.62Å; F28-Y100 HydrophobicContact CD2-CG 3.62Å; F28-Y100 HydrophobicContact CE1-CD1 4.06Å; F28-Y100 HydrophobicContact CE1-CE1 4.14Å; F28-Y100 AromaticContact CE2-CD1 3.82Å; F28-Y100 HydrophobicContact CE2-CD1 3.82Å; F28-Y100 HydrophobicContact CE2-CG 4.39Å; F28-Y100 AromaticContact CG-CD1 3.25Å; F28-Y100 HydrophobicContact CG-CD1 3.25Å; F28-Y100 HydrophobicContact CG-CD2 4.3Å; F28-Y100 AromaticContact CG-CE1 3.67Å; F28-Y100 HydrophobicContact CG-CE1 3.67Å; F28-Y100 AromaticContact CG-CG 3.63Å; F28-Y100 HydrophobicContact CG-CG 3.63Å; F28-Y100 HydrophobicContact CZ-CD1 4.15Å; F28-V103 HydrophobicContact CE2-CG2 4.08Å; F28-V103 HydrophobicContact CZ-CG2 4.12Å; F28-Y133 HydrophobicContact CB-CE2 4.21Å; F28-Y133 PolarHBondContact N-OH 3.44Å; F28-Y133 WeakPolarHBondContact O-CE2 3.48Å; F28-L135 HydrophobicContact CB-CD1 4.13Å
29A97.5Very high92.7Very high10 Ų1079.5 Ų79.58%0.08341%0.405CS..  trans-163.1146.2177.600000112.4H13 H15 R27 P31 P33H13-A29 WeakPolarHBondContact CB-O 3.43Å; H13-A29 PolarHBondContact O-N 3.3Å; H13-A29 VanDerWaalsContact O-N 3.12Å; H15-A29 PolarHBondContact CE1-O 3.14Å; R27-A29 HydrophobicContact CG-CB 4.47Å; A29-P31 CarbonylContact C-O 3.54Å; A29-P33 HydrophobicContact CB-CG 3.63Å
30H95.4Very high92.6Very high128 Ų12883 Ų8359%0.59343%0.43SS*.SBendtrans-140.3120.6165.6-173.766.7000109.8H13 L135H13-H30 AromaticContact CE1-CG 3.88Å; H13-H30 AromaticContact CE1-ND1 3.69Å; H13-H30 AromaticContact ND1-CG 3.95Å; H13-H30 AromaticContact ND1-ND1 3.71Å; H30-L135 HydrophobicContact CB-CD2 4.23Å; H30-L135 HydrophobicContact CB-CG 4.39Å
31P95.1Very high92.8Very high105 Ų10583.9 Ų83.968%0.68242%0.422SS*.SBendcis-70.7178.5132.4-37.4000113.5A29A29-P31 CarbonylContact C-O 3.54Å
32T94.8Very high93.2Very high78 Ų7874.6 Ų74.648%0.47939%0.387SS..PPolyproline II helixtrans-50.8134.9176.7-62.70000111.5H15 W42H15-T32 PolarHBondContact NE2-OG1 2.79Å; T32-W42 HydrophobicContact CG2-CB 3.95Å
33P93.8Very high93.5Very high21 Ų2173.9 Ų73.914%0.13637%0.372CS..PPolyproline II helixtrans-62.3147.6-177.3-15.625.8000112.5R27 A29 W42R27-P33 HydrophobicContact CB-CG 4.49Å; R27-P33 HydrophobicContact CG-CG 4.25Å; A29-P33 HydrophobicContact CB-CG 3.63Å; P33-W42 HydrophobicContact CB-CD2 4.29Å; P33-W42 HydrophobicContact CB-CG 3.92Å; P33-W42 HydrophobicContact CG-CB 4.37Å; P33-W42 HydrophobicContact CG-CD2 4.08Å; P33-W42 HydrophobicContact CG-CG 3.94Å
34R91.4Very high93.8Very high227 Ų22773.5 Ų73.586%0.85737%0.37SS*.PPolyproline II helixtrans-67.6148.3174.2-64.9-176-177.1-177.81.8110.8
35P91.3Very high93.9Very high96 Ų9672.8 Ų72.862%0.62337%0.366SS*.PPolyproline II helixtrans-54.3147.7169.5-27.836.9000112.6C39 S40P35-C39 CarbonylContact C-O 3.52Å; P35-C39 WeakPolarHBondContact CA-O 3.41Å; P35-S40 WeakPolarHBondContact CB-O 3.46Å
36S90.4Very high94Very high64 Ų6476.8 Ų76.845%0.44839%0.385SS..  trans-138.1170.9171.371.40000110.1K38 C39 S40S36-K38 PolarHBondContact O-N 2.89Å; S36-C39 PolarHBondContact N-O 3.18Å; S36-C39 CarbonylContact O-C 3.06Å; S36-C39 PolarHBondContact O-N 2.85Å; S36-C39 VanDerWaalsContact O-O 3.1Å; S36-C39 PolarHBondContact OG-N 3.24Å; S36-S40 PolarHBondContact O-N 3.07Å
37E84.3Confident94Very high189 Ų18979.4 Ų79.488%0.88340%0.399SS*.SBendtrans-56.4-36.4176.1-66.3-179.5173.100112.7
38K84.5Confident94Very high150 Ų15077.9 Ų77.965%0.65239%0.394SS*.SBendtrans-77-26.3178.1-64.5-174.8-179.4-179.70112.4T19 S36T19-K38 WeakPolarHBondContact CA-O 3.5Å; T19-K38 WeakPolarHBondContact CG2-O 3.37Å; S36-K38 PolarHBondContact O-N 2.89Å
39C90.9Very high93.9Very high4 Ų478.7 Ų78.73%0.02740%0.397CS..  trans-144.192.9-173.1-92.30000111.7C17 P35 S36 K41 W42C17-C39 HydrophobicContact CB-CB 3.91Å; C17-C39 WeakPolarHBondContact CB-SG 3.22Å; C17-C39 WeakPolarHBondContact SG-CA 3.35Å; C17-C39 WeakPolarHBondContact SG-CB 3.28Å; C17-C39 CovalentContact SG-SG 2.03Å; C17-C39 PolarHBondContact SG-SG 3.25Å; P35-C39 CarbonylContact C-O 3.52Å; P35-C39 WeakPolarHBondContact CA-O 3.41Å; S36-C39 PolarHBondContact N-O 3.18Å; S36-C39 CarbonylContact O-C 3.06Å; S36-C39 PolarHBondContact O-N 2.85Å; S36-C39 VanDerWaalsContact O-O 3.1Å; S36-C39 PolarHBondContact OG-N 3.24Å; C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 3.44Å; C39-W42 HydrophobicContact CB-CZ2 3.85Å
40S89.8Confident93.9Very high92 Ų9284.9 Ų84.964%0.64342%0.422SS*.SBendtrans-69.3-23.5-176.758.90000113.6P35 S36P35-S40 WeakPolarHBondContact CB-O 3.46Å; S36-S40 PolarHBondContact O-N 3.07Å
41K94.6Very high93.9Very high133 Ų13387.2 Ų87.258%0.57843%0.425SS*.  trans-152.1122.7178.9-171.4176.2-176.9175.40112C39 I43C39-K41 VanDerWaalsContact C-N 3.28Å; C39-K41 PolarHBondContact O-N 3.44Å; K41-I43 HydrophobicContact CG-CG1 4.28Å
42W97.2Very high94Very high33 Ų3384 Ų8413%0.12540%0.403CS..  trans-91.8135.5168.4-6996.3000110.3H15 C17 Q25 R27 T32 P33 C39H15-W42 HydrophobicContact CB-CB 4.34Å; H15-W42 HydrophobicContact CB-CE3 3.73Å; H15-W42 HydrophobicContact CB-CZ3 4.47Å; C17-W42 HydrophobicContact CB-CD2 3.79Å; C17-W42 HydrophobicContact CB-CE3 3.53Å; C17-W42 HydrophobicContact CB-CH2 3.98Å; C17-W42 HydrophobicContact CB-CZ2 4.19Å; C17-W42 HydrophobicContact CB-CZ3 3.63Å; Q25-W42 HydrophobicContact CB-CH2 4.09Å; R27-W42 HydrophobicContact CB-CE3 4.21Å; R27-W42 HydrophobicContact CB-CH2 3.64Å; R27-W42 HydrophobicContact CB-CZ2 4.29Å; R27-W42 HydrophobicContact CB-CZ3 3.6Å; T32-W42 HydrophobicContact CG2-CB 3.95Å; P33-W42 HydrophobicContact CB-CD2 4.29Å; P33-W42 HydrophobicContact CB-CG 3.92Å; P33-W42 HydrophobicContact CG-CB 4.37Å; P33-W42 HydrophobicContact CG-CD2 4.08Å; P33-W42 HydrophobicContact CG-CG 3.94Å; C39-W42 HydrophobicContact CB-CZ2 3.85Å
43I96.9Very high94Very high34 Ų3490.1 Ų90.117%0.17443%0.427CS..EExtended strand (participates in β ladder)trans-123.4129.4179.6-49.4173.3000107.7H15 I16 K41 L45 Y48H15-I43 CarbonylContact C-O 3.56Å; H15-I43 WeakPolarHBondContact CA-O 3.36Å; I16-I43 HydrophobicContact CG2-CB 4.34Å; I16-I43 PolarHBondContact N-O 3.01Å; I16-I43 PolarHBondContact O-N 3.07Å; K41-I43 HydrophobicContact CG-CG1 4.28Å; I43-L45 PolarHBondContact O-N 3.01Å; I43-Y48 HydrophobicContact CD1-CD2 4.03Å; I43-Y48 HydrophobicContact CD1-CE2 4.32Å; I43-Y48 HydrophobicContact CG2-CD2 4.12Å
44L98.1Very high94.1Very high38 Ų3893.4 Ų93.420%0.19944%0.443CS..EExtended strand (participates in β ladder)trans-62.3126.4172.3-174.767.1000108.8E46 D47 Y48L44-E46 HydrophobicContact CD2-CB 4.29Å; L44-E46 HydrophobicContact CG-CB 4.22Å; L44-E46 PolarHBondContact O-N 3.48Å; L44-D47 HydrophobicContact CB-CB 4.37Å; L44-D47 PolarHBondContact O-N 3.47Å; L44-Y48 PolarHBondContact O-N 3.35Å
45L97.8Very high94.4Very high1 Ų185 Ų851%0.00542%0.417CS..Hα-helixtrans-62.6-32.5-174.6-91.1163.1000112.9C14 I16 F26 I43 D47 Y48 R49 F58C14-L45 HydrophobicContact CB-CD1 4Å; C14-L45 WeakPolarHBondContact O-CB 3.22Å; C14-L45 PolarHBondContact O-N 3.46Å; C14-L45 WeakPolarHBondContact SG-CD1 3.29Å; I16-L45 HydrophobicContact CB-CD1 4.39Å; I16-L45 HydrophobicContact CB-CD2 3.82Å; I16-L45 HydrophobicContact CB-CG 3.88Å; I16-L45 HydrophobicContact CD1-CD2 4.23Å; I16-L45 HydrophobicContact CG2-CD2 3.66Å; I16-L45 HydrophobicContact CG2-CG 3.89Å; F26-L45 HydrophobicContact CD1-CD1 3.85Å; F26-L45 HydrophobicContact CE1-CD1 3.96Å; I43-L45 PolarHBondContact O-N 3.01Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-Y48 PolarHBondContact O-N 3.33Å; L45-R49 WeakPolarHBondContact O-CB 3.5Å; L45-R49 WeakPolarHBondContact O-CG 3.44Å; L45-R49 PolarHBondContact O-N 2.9Å; L45-F58 HydrophobicContact CD2-CE1 3.96Å; L45-F58 HydrophobicContact CD2-CZ 3.87Å
46E97.7Very high94.7Very high111 Ų11184.5 Ų84.552%0.51941%0.412SS..Hα-helixtrans-58.3-47.2173-169.3-167.4149.500111.2L44 R49 K50L44-E46 HydrophobicContact CD2-CB 4.29Å; L44-E46 HydrophobicContact CG-CB 4.22Å; L44-E46 PolarHBondContact O-N 3.48Å; E46-R49 PolarHBondContact O-N 2.94Å; E46-K50 WeakPolarHBondContact O-CG 3.37Å; E46-K50 PolarHBondContact O-N 3.01Å; E46-K50 WeakPolarHBondContact OE1-CE 3.4Å; E46-K50 IonicContact OE1-NZ 3.01Å; E46-K50 PolarHBondContact OE1-NZ 2.92Å
47D97.4Very high95Very high60 Ų6085.6 Ų85.632%0.32141%0.41SS..Hα-helixtrans-70.5-33.7177.6-69-21.1000112.4L44 L45 K50 R51L44-D47 HydrophobicContact CB-CB 4.37Å; L44-D47 PolarHBondContact O-N 3.47Å; L45-D47 VanDerWaalsContact C-N 3.34Å; D47-K50 PolarHBondContact O-N 3.44Å; D47-K50 IonicContact OD1-NZ 2.72Å; D47-R51 WeakPolarHBondContact O-CG 3.45Å; D47-R51 PolarHBondContact O-N 3.41Å
48Y96.5Very high95.6Very high59 Ų5977.5 Ų77.523%0.23137%0.372CS..Hα-helixtrans-63.1-46.1174.6-168.2-92.7000110.7I16 F18 I43 L44 L45 K50 R51 V52 F58I16-Y48 HydrophobicContact CG2-CG 4.4Å; F18-Y48 HydrophobicContact CE2-CE2 4.21Å; I43-Y48 HydrophobicContact CD1-CD2 4.03Å; I43-Y48 HydrophobicContact CD1-CE2 4.32Å; I43-Y48 HydrophobicContact CG2-CD2 4.12Å; L44-Y48 PolarHBondContact O-N 3.35Å; L45-Y48 PolarHBondContact O-N 3.33Å; Y48-K50 VanDerWaalsContact C-N 3.32Å; Y48-K50 PolarHBondContact O-N 3.22Å; Y48-R51 PolarHBondContact O-N 3.45Å; Y48-V52 HydrophobicContact CD1-CG1 3.92Å; Y48-V52 HydrophobicContact CE1-CG1 3.53Å; Y48-V52 PolarHBondContact O-N 3.28Å; Y48-F58 HydrophobicContact CD1-CD2 4.44Å; Y48-F58 HydrophobicContact CD1-CE1 4.03Å; Y48-F58 AromaticContact CD1-CE2 3.93Å; Y48-F58 HydrophobicContact CD1-CE2 3.93Å; Y48-F58 AromaticContact CD1-CZ 3.69Å; Y48-F58 HydrophobicContact CD1-CZ 3.69Å; Y48-F58 AromaticContact CE1-CD2 3.8Å; Y48-F58 HydrophobicContact CE1-CD2 3.8Å; Y48-F58 HydrophobicContact CE1-CE1 4.31Å; Y48-F58 AromaticContact CE1-CE2 3.4Å; Y48-F58 HydrophobicContact CE1-CE2 3.4Å; Y48-F58 HydrophobicContact CE1-CG 4.41Å; Y48-F58 AromaticContact CE1-CZ 3.67Å; Y48-F58 HydrophobicContact CE1-CZ 3.67Å
49R97.3Very high96.2Very high20 Ų2070.7 Ų70.78%0.07534%0.343CS..Hα-helixtrans-62.3-34.9177.2-76.2-172.3175.795.50.6113.4T9 Y10 L45 E46 R51 V52 V55 F58 D59T9-R49 PolarHBondContact O-NH1 3.49Å; T9-R49 PolarHBondContact OG1-NH2 3.38Å; Y10-R49 VanDerWaalsContact CZ-NE 3.32Å; Y10-R49 PolarHBondContact OH-NE 3.01Å; L45-R49 WeakPolarHBondContact O-CB 3.5Å; L45-R49 WeakPolarHBondContact O-CG 3.44Å; L45-R49 PolarHBondContact O-N 2.9Å; E46-R49 PolarHBondContact O-N 2.94Å; R49-R51 PolarHBondContact O-N 2.92Å; R49-V52 WeakPolarHBondContact O-CG2 3.47Å; R49-V55 HydrophobicContact CB-CG2 4.42Å; R49-V55 HydrophobicContact CG-CG1 4.25Å; R49-F58 HydrophobicContact CG-CD1 4.09Å; R49-F58 HydrophobicContact CG-CE1 4.14Å; R49-D59 IonicContact CZ-OD1 3.41Å; R49-D59 IonicContact NE-OD1 3.92Å; R49-D59 PolarHBondContact NE-OD1 3.42Å; R49-D59 IonicContact NH2-OD1 2.67Å; R49-D59 PolarHBondContact NH2-OD1 3.36Å
50K96.9Very high96.5Very high139 Ų13972.6 Ų72.660%0.60435%0.353SS*.Hα-helixtrans-64.6-19.8173.5-69.8170.1-170.8161.90113.5E46 D47 Y48E46-K50 WeakPolarHBondContact O-CG 3.37Å; E46-K50 PolarHBondContact O-N 3.01Å; E46-K50 WeakPolarHBondContact OE1-CE 3.4Å; E46-K50 IonicContact OE1-NZ 3.01Å; E46-K50 PolarHBondContact OE1-NZ 2.92Å; D47-K50 PolarHBondContact O-N 3.44Å; D47-K50 IonicContact OD1-NZ 2.72Å; Y48-K50 VanDerWaalsContact C-N 3.32Å; Y48-K50 PolarHBondContact O-N 3.22Å
51R95.9Very high96.7Very high178 Ų17869.4 Ų69.467%0.67233%0.331SS*.Hα-helixtrans-100.5-21.4-176.6-64.9171.8-163.4-163.53.5113.7D47 Y48 R49D47-R51 WeakPolarHBondContact O-CG 3.45Å; D47-R51 PolarHBondContact O-N 3.41Å; Y48-R51 PolarHBondContact O-N 3.45Å; R49-R51 PolarHBondContact O-N 2.92Å
52V95.6Very high96.9Very high36 Ų3663.1 Ų63.122%0.21830%0.303CS..SBendtrans-77.7143.5177.8-62.80000110.7Y48 R49 V55 F58Y48-V52 HydrophobicContact CD1-CG1 3.92Å; Y48-V52 HydrophobicContact CE1-CG1 3.53Å; Y48-V52 PolarHBondContact O-N 3.28Å; R49-V52 WeakPolarHBondContact O-CG2 3.47Å; V52-V55 HydrophobicContact CG2-CG2 3.94Å; V52-F58 HydrophobicContact CG2-CB 4.21Å
53Q95.2Very high96.9Very high207 Ų20763.3 Ų63.397%0.96731%0.307SS*.SBendtrans-70.7-32.2-179.3-68.8-179.3-15.100112.7
54N97.2Very high96.8Very high90 Ų9067 Ų6748%0.48132%0.318SS..  trans-133.8102.5-178.5-174.2-17.1000109.8T56 E57 F58N54-T56 WeakPolarHBondContact OD1-CB 3.41Å; N54-T56 PolarHBondContact OD1-N 3.48Å; N54-T56 VanDerWaalsContact OD1-N 3.13Å; N54-E57 HydrophobicContact CB-CB 4.01Å; N54-E57 PolarHBondContact OD1-N 2.82Å; N54-F58 PolarHBondContact O-N 3.39Å; N54-F58 VanDerWaalsContact O-N 3.14Å
55V97.1Very high96.7Very high50 Ų5067.7 Ų67.730%0.30332%0.322SS..Hα-helixtrans-67.9-37.5-179.7177.80000111.5Y10 R49 V52 F58 D59Y10-V55 WeakPolarHBondContact OH-CG1 3.45Å; R49-V55 HydrophobicContact CB-CG2 4.42Å; R49-V55 HydrophobicContact CG-CG1 4.25Å; V52-V55 HydrophobicContact CG2-CG2 3.94Å; V55-F58 WeakPolarHBondContact O-CB 3.47Å; V55-F58 PolarHBondContact O-N 2.8Å; V55-D59 PolarHBondContact O-N 3.46Å
56T96.9Very high96.7Very high87 Ų8767.7 Ų67.753%0.53432%0.322SS..Hα-helixtrans-61.9-47.5178.3-55.80000110.9N54 F58 D59 D60N54-T56 WeakPolarHBondContact OD1-CB 3.41Å; N54-T56 PolarHBondContact OD1-N 3.48Å; N54-T56 VanDerWaalsContact OD1-N 3.13Å; T56-F58 VanDerWaalsContact C-N 3.3Å; T56-F58 PolarHBondContact O-N 3.2Å; T56-D59 PolarHBondContact O-N 3.46Å; T56-D60 VanDerWaalsContact O-CG 3.29Å; T56-D60 PolarHBondContact O-N 2.85Å
57E97.1Very high96.7Very high87 Ų8762.8 Ų62.841%0.40730%0.3SS..Hα-helixtrans-64.7-36177.3179.252.9-142.800111.9N54 D60 S61 R64N54-E57 HydrophobicContact CB-CB 4.01Å; N54-E57 PolarHBondContact OD1-N 2.82Å; E57-D60 PolarHBondContact O-N 2.96Å; E57-S61 WeakPolarHBondContact O-CB 3.21Å; E57-S61 PolarHBondContact O-N 3.15Å; E57-R64 IonicContact OE1-CZ 3.14Å; E57-R64 IonicContact OE1-NH1 3.02Å; E57-R64 PolarHBondContact OE1-NH1 2.97Å; E57-R64 IonicContact OE1-NH2 3.32Å; E57-R64 PolarHBondContact OE1-NH2 3.08Å
58F97.2Very high96.7Very high18 Ų1860.2 Ų60.28%0.07929%0.286CS..Hα-helixtrans-61.2-47.8172.9173.3-112.4000111.6I16 L45 Y48 R49 V52 N54 V55 T56 D60 S61 L62I16-F58 HydrophobicContact CD1-CZ 4.23Å; L45-F58 HydrophobicContact CD2-CE1 3.96Å; L45-F58 HydrophobicContact CD2-CZ 3.87Å; Y48-F58 HydrophobicContact CD1-CD2 4.44Å; Y48-F58 HydrophobicContact CD1-CE1 4.03Å; Y48-F58 AromaticContact CD1-CE2 3.93Å; Y48-F58 HydrophobicContact CD1-CE2 3.93Å; Y48-F58 AromaticContact CD1-CZ 3.69Å; Y48-F58 HydrophobicContact CD1-CZ 3.69Å; Y48-F58 AromaticContact CE1-CD2 3.8Å; Y48-F58 HydrophobicContact CE1-CD2 3.8Å; Y48-F58 HydrophobicContact CE1-CE1 4.31Å; Y48-F58 AromaticContact CE1-CE2 3.4Å; Y48-F58 HydrophobicContact CE1-CE2 3.4Å; Y48-F58 HydrophobicContact CE1-CG 4.41Å; Y48-F58 AromaticContact CE1-CZ 3.67Å; Y48-F58 HydrophobicContact CE1-CZ 3.67Å; R49-F58 HydrophobicContact CG-CD1 4.09Å; R49-F58 HydrophobicContact CG-CE1 4.14Å; V52-F58 HydrophobicContact CG2-CB 4.21Å; N54-F58 PolarHBondContact O-N 3.39Å; N54-F58 VanDerWaalsContact O-N 3.14Å; V55-F58 WeakPolarHBondContact O-CB 3.47Å; V55-F58 PolarHBondContact O-N 2.8Å; T56-F58 VanDerWaalsContact C-N 3.3Å; T56-F58 PolarHBondContact O-N 3.2Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.3Å; F58-S61 WeakPolarHBondContact O-CA 3.23Å; F58-S61 WeakPolarHBondContact O-CB 3.43Å; F58-S61 PolarHBondContact O-N 2.86Å; F58-S61 VanDerWaalsContact O-N 3.13Å; F58-S61 PolarHBondContact O-OG 2.88Å; F58-L62 HydrophobicContact CE1-CD1 3.94Å; F58-L62 HydrophobicContact CE1-CG 4.35Å; F58-L62 HydrophobicContact CE2-CD2 3.96Å; F58-L62 HydrophobicContact CE2-CG 4.32Å; F58-L62 HydrophobicContact CZ-CD1 4.01Å; F58-L62 HydrophobicContact CZ-CD2 3.91Å; F58-L62 HydrophobicContact CZ-CG 4.12Å; F58-L62 PolarHBondContact O-N 3.03Å
59D97.3Very high96.6Very high7 Ų761.1 Ų61.14%0.03730%0.297CS..Hα-helixtrans-62.3-41.6177-76.2-8000111.9V5 Y10 R49 V55 T56 S61 L62 L63V5-D59 HydrophobicContact CG1-CB 3.81Å; V5-D59 WeakPolarHBondContact CG1-O 3.48Å; Y10-D59 VanDerWaalsContact CE2-OD2 3.31Å; Y10-D59 WeakPolarHBondContact CE2-OD2 3.33Å; Y10-D59 VanDerWaalsContact CZ-OD2 3.3Å; Y10-D59 VanDerWaalsContact OH-CG 3.31Å; Y10-D59 PolarHBondContact OH-OD1 3.4Å; Y10-D59 PolarHBondContact OH-OD2 2.9Å; R49-D59 IonicContact CZ-OD1 3.41Å; R49-D59 IonicContact NE-OD1 3.92Å; R49-D59 PolarHBondContact NE-OD1 3.42Å; R49-D59 IonicContact NH2-OD1 2.67Å; R49-D59 PolarHBondContact NH2-OD1 3.36Å; V55-D59 PolarHBondContact O-N 3.46Å; T56-D59 PolarHBondContact O-N 3.46Å; D59-S61 VanDerWaalsContact C-N 3.25Å; D59-S61 PolarHBondContact O-N 3.39Å; D59-L62 WeakPolarHBondContact O-CB 3.42Å; D59-L62 PolarHBondContact O-N 2.82Å; D59-L63 PolarHBondContact O-N 3.27Å
60D96.2Very high96.5Very high44 Ų4462.5 Ų62.524%0.23531%0.308CS..Hα-helixtrans-65.1-32.6175.9-65.6-19.6000111R6 T56 E57 F58 L63 R64R6-D60 IonicContact NH2-OD1 3.86Å; R6-D60 PolarHBondContact NH2-OD1 3.16Å; T56-D60 VanDerWaalsContact O-CG 3.29Å; T56-D60 PolarHBondContact O-N 2.85Å; E57-D60 PolarHBondContact O-N 2.96Å; F58-D60 VanDerWaalsContact C-N 3.35Å; F58-D60 PolarHBondContact O-N 3.3Å; D60-L63 PolarHBondContact O-N 3.12Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 2.97Å
61S95.5Very high96.3Very high26 Ų2664 Ų6418%0.18232%0.317CS..Hα-helixtrans-65.3-35.1170.887.30000113.1E57 F58 D59 N65E57-S61 WeakPolarHBondContact O-CB 3.21Å; E57-S61 PolarHBondContact O-N 3.15Å; F58-S61 WeakPolarHBondContact O-CA 3.23Å; F58-S61 WeakPolarHBondContact O-CB 3.43Å; F58-S61 PolarHBondContact O-N 2.86Å; F58-S61 VanDerWaalsContact O-N 3.13Å; F58-S61 PolarHBondContact O-OG 2.88Å; D59-S61 VanDerWaalsContact C-N 3.25Å; D59-S61 PolarHBondContact O-N 3.39Å; S61-N65 PolarHBondContact O-N 3.45Å; S61-N65 VanDerWaalsContact O-N 3.16Å; S61-N65 PolarHBondContact O-ND2 3.08Å
62L97.3Very high96.2Very high0 Ų060.5 Ų60.50%031%0.309CS..Hα-helixtrans-66-42.7173.7-61.5-175.4000110.2V5 T9 M24 F26 F58 D59 R64 N65 F66V5-L62 HydrophobicContact CG1-CB 4.1Å; V5-L62 HydrophobicContact CG1-CD1 4.4Å; V5-L62 HydrophobicContact CG2-CB 4Å; T9-L62 HydrophobicContact CG2-CD1 4.31Å; M24-L62 HydrophobicContact CE-CD2 4.5Å; M24-L62 HydrophobicContact SD-CD2 3.59Å; M24-L62 VanDerWaalsContact SD-CD2 3.59Å; F26-L62 HydrophobicContact CZ-CD2 4.01Å; F58-L62 HydrophobicContact CE1-CD1 3.94Å; F58-L62 HydrophobicContact CE1-CG 4.35Å; F58-L62 HydrophobicContact CE2-CD2 3.96Å; F58-L62 HydrophobicContact CE2-CG 4.32Å; F58-L62 HydrophobicContact CZ-CD1 4.01Å; F58-L62 HydrophobicContact CZ-CD2 3.91Å; F58-L62 HydrophobicContact CZ-CG 4.12Å; F58-L62 PolarHBondContact O-N 3.03Å; D59-L62 WeakPolarHBondContact O-CB 3.42Å; D59-L62 PolarHBondContact O-N 2.82Å; L62-R64 PolarHBondContact O-N 3.1Å; L62-N65 CarbonylContact O-C 3.36Å; L62-N65 WeakPolarHBondContact O-CA 3.46Å; L62-N65 WeakPolarHBondContact O-CB 3.49Å; L62-N65 PolarHBondContact O-N 3.21Å; L62-F66 HydrophobicContact CB-CE1 4.47Å; L62-F66 HydrophobicContact CB-CZ 4.29Å; L62-F66 WeakPolarHBondContact O-CD1 3.41Å; L62-F66 VanDerWaalsContact O-CG 3.28Å; L62-F66 WeakPolarHBondContact O-CG 3.25Å; L62-F66 PolarHBondContact O-N 2.98Å
63L96.8Very high96.1Very high37 Ų3761.4 Ų61.419%0.19432%0.315CS..Hα-helixtrans-61.3-42.8178.1-170.962.3000112.3M1 V5 D59 D60 N65 F66 T67M1-L63 HydrophobicContact CB-CD1 3.74Å; V5-L63 HydrophobicContact CG2-CB 4.28Å; V5-L63 HydrophobicContact CG2-CD1 4.31Å; D59-L63 PolarHBondContact O-N 3.27Å; D60-L63 PolarHBondContact O-N 3.12Å; L63-N65 PolarHBondContact O-N 3.4Å; L63-F66 PolarHBondContact O-N 2.86Å; L63-F66 VanDerWaalsContact O-N 3.11Å; L63-T67 HydrophobicContact CD1-CG2 4.14Å; L63-T67 WeakPolarHBondContact O-CG2 3.44Å; L63-T67 PolarHBondContact O-N 3.41Å; L63-T67 VanDerWaalsContact O-N 3.17Å; L63-T67 PolarHBondContact O-OG1 3.42Å
64R95.4Very high95.9Very high112 Ų11256.8 Ų56.842%0.42329%0.294SS..Hα-helixtrans-63.8-21.7172-67.5-173.7-57.8-96.77113.2E57 D60 L62 K86E57-R64 IonicContact OE1-CZ 3.14Å; E57-R64 IonicContact OE1-NH1 3.02Å; E57-R64 PolarHBondContact OE1-NH1 2.97Å; E57-R64 IonicContact OE1-NH2 3.32Å; E57-R64 PolarHBondContact OE1-NH2 3.08Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 2.97Å; L62-R64 PolarHBondContact O-N 3.1Å; R64-K86 PolarHBondContact O-NZ 2.79Å; R64-K86 VanDerWaalsContact O-NZ 3.14Å
65N96Very high95.8Very high53 Ų5357.3 Ų57.328%0.28330%0.3SS..Hα-helixtrans-89.1-19.8174.7-81.2-81.7000113.9M24 S61 L62 L63M24-N65 HydrophobicContact CE-CB 3.48Å; M24-N65 VanDerWaalsContact CE-CB 3.48Å; M24-N65 WeakPolarHBondContact CE-ND2 3.42Å; S61-N65 PolarHBondContact O-N 3.45Å; S61-N65 VanDerWaalsContact O-N 3.16Å; S61-N65 PolarHBondContact O-ND2 3.08Å; L62-N65 CarbonylContact O-C 3.36Å; L62-N65 WeakPolarHBondContact O-CA 3.46Å; L62-N65 WeakPolarHBondContact O-CB 3.49Å; L62-N65 PolarHBondContact O-N 3.21Å; L63-N65 PolarHBondContact O-N 3.4Å
66F97.5Very high95.8Very high0 Ų058.8 Ų58.80%031%0.305CS..Hα-helixtrans-97.8-0.7-179.9-645.4000112.6M1 L4 V5 T9 F26 L62 L63 I90 T93 I94 L97M1-F66 HydrophobicContact CB-CB 4.34Å; M1-F66 HydrophobicContact CG-CB 4.22Å; M1-F66 WeakPolarHBondContact CG-O 3.18Å; M1-F66 HydrophobicContact SD-CB 4.31Å; L4-F66 HydrophobicContact CB-CD2 4.33Å; L4-F66 HydrophobicContact CB-CE2 4.27Å; V5-F66 HydrophobicContact CG2-CD2 3.59Å; V5-F66 HydrophobicContact CG2-CE2 3.73Å; V5-F66 HydrophobicContact CG2-CG 4.48Å; T9-F66 HydrophobicContact CG2-CE2 4.48Å; F26-F66 HydrophobicContact CD2-CZ 4.44Å; F26-F66 AromaticContact CE2-CE1 3.62Å; F26-F66 HydrophobicContact CE2-CE1 3.62Å; F26-F66 AromaticContact CE2-CZ 3.6Å; F26-F66 HydrophobicContact CE2-CZ 3.6Å; F26-F66 AromaticContact CZ-CE1 3.9Å; F26-F66 HydrophobicContact CZ-CE1 3.9Å; F26-F66 AromaticContact CZ-CZ 3.65Å; F26-F66 HydrophobicContact CZ-CZ 3.65Å; L62-F66 HydrophobicContact CB-CE1 4.47Å; L62-F66 HydrophobicContact CB-CZ 4.29Å; L62-F66 WeakPolarHBondContact O-CD1 3.41Å; L62-F66 VanDerWaalsContact O-CG 3.28Å; L62-F66 WeakPolarHBondContact O-CG 3.25Å; L62-F66 PolarHBondContact O-N 2.98Å; L63-F66 PolarHBondContact O-N 2.86Å; L63-F66 VanDerWaalsContact O-N 3.11Å; F66-I90 VanDerWaalsContact O-CG2 3.29Å; F66-I90 WeakPolarHBondContact O-CG2 3.34Å; F66-T93 HydrophobicContact CD1-CG2 3.94Å; F66-T93 HydrophobicContact CE1-CG2 3.67Å; F66-I94 HydrophobicContact CB-CG2 4.08Å; F66-I94 HydrophobicContact CD1-CG2 3.59Å; F66-I94 HydrophobicContact CD2-CG2 3.87Å; F66-I94 HydrophobicContact CE1-CG2 3.99Å; F66-I94 HydrophobicContact CE2-CG2 4.21Å; F66-I94 HydrophobicContact CG-CG2 3.56Å; F66-I94 HydrophobicContact CZ-CG2 4.27Å; F66-L97 HydrophobicContact CE2-CD1 3.79Å; F66-L97 HydrophobicContact CZ-CD1 3.75Å
67T97.7Very high95.7Very high8 Ų855.4 Ų55.45%0.04928%0.283CS..SBendtrans-138167.5-177.465.40000111.4M1 L63 V69 K86 I90 M325M1-T67 HydrophobicContact CB-CG2 3.85Å; M1-T67 HydrophobicContact CG-CG2 3.76Å; L63-T67 HydrophobicContact CD1-CG2 4.14Å; L63-T67 WeakPolarHBondContact O-CG2 3.44Å; L63-T67 PolarHBondContact O-N 3.41Å; L63-T67 VanDerWaalsContact O-N 3.17Å; L63-T67 PolarHBondContact O-OG1 3.42Å; T67-V69 VanDerWaalsContact C-N 3.35Å; T67-V69 PolarHBondContact OG1-N 2.87Å; T67-K86 WeakPolarHBondContact O-CE 3.31Å; T67-I90 VanDerWaalsContact C-CD1 3.47Å; T67-M325 CarbonylContact C-O 3.51Å; T67-M325 WeakPolarHBondContact CA-O 3.48Å; T67-M325 WeakPolarHBondContact CB-O 3.48Å
68L97.8Very high95.7Very high7 Ų755.9 Ų55.94%0.03729%0.291CS..  trans-91.31166.6-64.5-179.8000112.4T70 Y77 V83 K86 F87 I90 V294 L295 M325 F326L68-T70 PolarHBondContact O-N 2.83Å; L68-Y77 HydrophobicContact CD2-CE1 4.43Å; L68-Y77 WeakPolarHBondContact O-CE2 3.45Å; L68-Y77 PolarHBondContact O-OH 3.16Å; L68-V83 HydrophobicContact CD1-CG2 3.82Å; L68-V83 HydrophobicContact CD2-CG2 4.07Å; L68-K86 HydrophobicContact CD2-CB 4.01Å; L68-K86 HydrophobicContact CD2-CG 3.41Å; L68-K86 VanDerWaalsContact CD2-CG 3.41Å; L68-F87 HydrophobicContact CD1-CB 4.16Å; L68-F87 HydrophobicContact CD1-CD2 4.03Å; L68-F87 HydrophobicContact CD1-CG 4.34Å; L68-F87 HydrophobicContact CD2-CB 4.35Å; L68-I90 HydrophobicContact CD2-CD1 3.91Å; L68-I90 HydrophobicContact CG-CD1 4.01Å; L68-V294 HydrophobicContact CB-CG1 3.99Å; L68-V294 HydrophobicContact CD1-CG1 3.58Å; L68-V294 HydrophobicContact CG-CG1 4.43Å; L68-L295 HydrophobicContact CD1-CD2 4.01Å; L68-M325 PolarHBondContact N-O 3.45Å; L68-F326 HydrophobicContact CD1-CD1 3.97Å; L68-F326 HydrophobicContact CD1-CE1 4.02Å
69V95.8Very high95.5Very high77 Ų7758.4 Ų58.447%0.46731%0.306SS..  trans-70.5124.5-176.6-179.20000109.9T67 G327T67-V69 VanDerWaalsContact C-N 3.35Å; T67-V69 PolarHBondContact OG1-N 2.87Å; V69-G327 VanDerWaalsContact CG2-CA 3.48Å
70T94.3Very high95.4Very high49 Ų4959.5 Ų59.530%0.30131%0.311SS..  trans-154.3159.9176.8-1720000110.6L68 P73 I76 Y77L68-T70 PolarHBondContact O-N 2.83Å; T70-P73 HydrophobicContact CG2-CB 3.9Å; T70-I76 HydrophobicContact CG2-CB 4.48Å; T70-I76 HydrophobicContact CG2-CD1 3.75Å; T70-I76 WeakPolarHBondContact OG1-CD1 3.2Å; T70-Y77 HydrophobicContact CG2-CD2 4.45Å; T70-Y77 HydrophobicContact CG2-CE2 3.77Å
71Q92.3Very high95.3Very high171 Ų17162 Ų6280%0.79932%0.324SS*.SBendtrans-71.4-32.8-176.4-70.5-175.2-17.100113.5P73Q71-P73 VanDerWaalsContact C-CD 3.49Å
72H93.4Very high95.4Very high105 Ų10563.4 Ų63.449%0.48633%0.331SS..  trans-129.265.3-175.8-61.8-61.5000111E74 V75 I76H72-E74 IonicContact CG-OE1 3.88Å; H72-E74 IonicContact ND1-OE1 2.82Å; H72-E74 PolarHBondContact ND1-OE1 3.1Å; H72-E74 PolarHBondContact O-N 2.77Å; H72-V75 HydrophobicContact CB-CB 4.19Å; H72-V75 HydrophobicContact CB-CG2 4.15Å; H72-V75 PolarHBondContact O-N 3.2Å; H72-V75 VanDerWaalsContact O-N 3.1Å; H72-I76 PolarHBondContact O-N 2.83Å; H72-I76 VanDerWaalsContact O-N 3.08Å
73P93.8Very high95.4Very high54 Ų5463.4 Ų63.435%0.35133%0.331SS..Hα-helixtrans-61.3-30-176.225.6-34.5000112.7T70 Q71 V75 Y77T70-P73 HydrophobicContact CG2-CB 3.9Å; Q71-P73 VanDerWaalsContact C-CD 3.49Å; P73-V75 VanDerWaalsContact C-N 3.28Å; P73-V75 PolarHBondContact O-N 3.24Å; P73-Y77 HydrophobicContact CB-CD2 3.93Å; P73-Y77 HydrophobicContact CB-CE2 4.36Å; P73-Y77 WeakPolarHBondContact O-CA 3.49Å; P73-Y77 VanDerWaalsContact O-CB 3.28Å; P73-Y77 WeakPolarHBondContact O-CB 3.38Å; P73-Y77 PolarHBondContact O-N 2.88Å
74E91.9Very high95.4Very high111 Ų11162.2 Ų62.252%0.51932%0.324SS..Hα-helixtrans-64.8-28.8175.369-68.9162.500113.8H72H72-E74 IonicContact CG-OE1 3.88Å; H72-E74 IonicContact ND1-OE1 2.82Å; H72-E74 PolarHBondContact ND1-OE1 3.1Å; H72-E74 PolarHBondContact O-N 2.77Å
75V95.1Very high95.4Very high100 Ų10060.1 Ų60.161%0.60633%0.327SS*.Hα-helixtrans-87.9-41.4177.5-1790000110.9H72 P73 T78H72-V75 HydrophobicContact CB-CB 4.19Å; H72-V75 HydrophobicContact CB-CG2 4.15Å; H72-V75 PolarHBondContact O-N 3.2Å; H72-V75 VanDerWaalsContact O-N 3.1Å; P73-V75 VanDerWaalsContact C-N 3.28Å; P73-V75 PolarHBondContact O-N 3.24Å; V75-T78 WeakPolarHBondContact O-CG2 3.2Å
76I95.5Very high95.5Very high82 Ų8259.6 Ų59.642%0.42132%0.322SS..Hα-helixtrans-77.7-42.5-174.9-67.5168000111.2T70 H72T70-I76 HydrophobicContact CG2-CB 4.48Å; T70-I76 HydrophobicContact CG2-CD1 3.75Å; T70-I76 WeakPolarHBondContact OG1-CD1 3.2Å; H72-I76 PolarHBondContact O-N 2.83Å; H72-I76 VanDerWaalsContact O-N 3.08Å
77Y96.8Very high95.5Very high15 Ų1560 Ų606%0.05932%0.324CS..  trans-102.877.4-179.1-54.7-52.3000109.7L68 T70 P73 N79 V82 V83 K86 K296L68-Y77 HydrophobicContact CD2-CE1 4.43Å; L68-Y77 WeakPolarHBondContact O-CE2 3.45Å; L68-Y77 PolarHBondContact O-OH 3.16Å; T70-Y77 HydrophobicContact CG2-CD2 4.45Å; T70-Y77 HydrophobicContact CG2-CE2 3.77Å; P73-Y77 HydrophobicContact CB-CD2 3.93Å; P73-Y77 HydrophobicContact CB-CE2 4.36Å; P73-Y77 WeakPolarHBondContact O-CA 3.49Å; P73-Y77 VanDerWaalsContact O-CB 3.28Å; P73-Y77 WeakPolarHBondContact O-CB 3.38Å; P73-Y77 PolarHBondContact O-N 2.88Å; Y77-N79 PolarHBondContact O-N 3.35Å; Y77-V82 HydrophobicContact CD1-CG1 4.31Å; Y77-V83 HydrophobicContact CD1-CB 3.93Å; Y77-V83 HydrophobicContact CD1-CG2 4.17Å; Y77-V83 HydrophobicContact CD2-CG2 4.32Å; Y77-V83 HydrophobicContact CG-CB 3.92Å; Y77-V83 HydrophobicContact CG-CG2 4.09Å; Y77-K86 HydrophobicContact CE1-CB 4Å; Y77-K86 HydrophobicContact CE1-CG 3.96Å; Y77-K296 WeakPolarHBondContact O-CD 3.49Å; Y77-K296 WeakPolarHBondContact O-CE 3.36Å; Y77-K296 PolarHBondContact O-NZ 3.32Å
78T95.6Very high95.4Very high97 Ų9763.2 Ų63.260%0.59534%0.339SS*.  trans-65.4-24.2-173.4560000113.7V75V75-T78 WeakPolarHBondContact O-CG2 3.2Å
79N94.1Very high95.4Very high71 Ų7164.8 Ų64.838%0.3835%0.349SS..SBendtrans-156.3175.7176.86164.8000111.3Y77 N81 V82 V83Y77-N79 PolarHBondContact O-N 3.35Å; N79-N81 PolarHBondContact O-N 3.16Å; N79-N81 WeakPolarHBondContact OD1-CB 3.47Å; N79-N81 PolarHBondContact OD1-N 3.5Å; N79-V82 PolarHBondContact O-N 3.15Å; N79-V82 PolarHBondContact OD1-N 3.09Å; N79-V82 VanDerWaalsContact OD1-N 3.13Å; N79-V83 PolarHBondContact O-N 2.95Å
80Q94.1Very high95.5Very high30 Ų3061.1 Ų61.114%0.1433%0.326CS..Hα-helixtrans-57.7-44.6-179.5-70.4178.53900112.9V82 V83 W84 D241 L295 K296Q80-V82 PolarHBondContact O-N 3.42Å; Q80-V83 WeakPolarHBondContact O-CG1 3.28Å; Q80-V83 PolarHBondContact O-N 2.97Å; Q80-W84 WeakPolarHBondContact O-CB 3.45Å; Q80-W84 PolarHBondContact O-N 3.48Å; Q80-D241 PolarHBondContact NE2-OD2 2.94Å; Q80-L295 WeakPolarHBondContact CG-O 3.44Å; Q80-K296 HydrophobicContact CG-CB 3.93Å; Q80-K296 WeakPolarHBondContact CG-O 3.18Å; Q80-K296 PolarHBondContact NE2-O 2.88Å; Q80-K296 VanDerWaalsContact NE2-O 3.09Å
81N94.6Very high95.6Very high96 Ų9661.7 Ų61.751%0.51333%0.325SS..Hα-helixtrans-59.6-36.9-179.5-64.3-36000112.3N79 S85 H207N79-N81 PolarHBondContact O-N 3.16Å; N79-N81 WeakPolarHBondContact OD1-CB 3.47Å; N79-N81 PolarHBondContact OD1-N 3.5Å; N81-S85 WeakPolarHBondContact O-CB 3.31Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-H207 PolarHBondContact OD1-CE1 3.48Å
82V96.8Very high95.7Very high56 Ų5657.8 Ų57.834%0.33931%0.305SS..Hα-helixtrans-69.1-46.1179179.20000111.2Y77 N79 Q80 K86Y77-V82 HydrophobicContact CD1-CG1 4.31Å; N79-V82 PolarHBondContact O-N 3.15Å; N79-V82 PolarHBondContact OD1-N 3.09Å; N79-V82 VanDerWaalsContact OD1-N 3.13Å; Q80-V82 PolarHBondContact O-N 3.42Å; V82-K86 PolarHBondContact O-N 3.23Å; V82-K86 VanDerWaalsContact O-N 3.12Å
83V97.4Very high95.8Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-68.8-41.2178.662.10000111.8L68 Y77 N79 Q80 S85 K86 F87 L295 K296L68-V83 HydrophobicContact CD1-CG2 3.82Å; L68-V83 HydrophobicContact CD2-CG2 4.07Å; Y77-V83 HydrophobicContact CD1-CB 3.93Å; Y77-V83 HydrophobicContact CD1-CG2 4.17Å; Y77-V83 HydrophobicContact CD2-CG2 4.32Å; Y77-V83 HydrophobicContact CG-CB 3.92Å; Y77-V83 HydrophobicContact CG-CG2 4.09Å; N79-V83 PolarHBondContact O-N 2.95Å; Q80-V83 WeakPolarHBondContact O-CG1 3.28Å; Q80-V83 PolarHBondContact O-N 2.97Å; V83-S85 PolarHBondContact O-N 2.7Å; V83-K86 PolarHBondContact O-N 2.62Å; V83-F87 WeakPolarHBondContact O-CB 3.46Å; V83-F87 PolarHBondContact O-N 2.71Å; V83-L295 WeakPolarHBondContact CG1-O 3.42Å; V83-L295 HydrophobicContact CG2-CD2 4.09Å; V83-K296 HydrophobicContact CG1-CD 4.41Å; V83-K296 HydrophobicContact CG1-CG 4.24Å
84W96.8Very high96Very high12 Ų1250.6 Ų50.65%0.04527%0.267CS..Hα-helixtrans-61.6-43174.9-88.7103000112.2Q80 K86 F87 E88 H207 E239 L295Q80-W84 WeakPolarHBondContact O-CB 3.45Å; Q80-W84 PolarHBondContact O-N 3.48Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 3.21Å; W84-F87 HydrophobicContact CD2-CD1 4.49Å; W84-F87 AromaticContact CE3-CD1 3.7Å; W84-F87 HydrophobicContact CE3-CD1 3.7Å; W84-F87 HydrophobicContact CE3-CE1 4.33Å; W84-F87 HydrophobicContact CH2-CD1 4.44Å; W84-F87 HydrophobicContact CH2-CE1 4.32Å; W84-F87 AromaticContact CZ3-CD1 3.66Å; W84-F87 HydrophobicContact CZ3-CD1 3.66Å; W84-F87 AromaticContact CZ3-CE1 3.82Å; W84-F87 HydrophobicContact CZ3-CE1 3.82Å; W84-F87 WeakPolarHBondContact O-CB 3.29Å; W84-F87 PolarHBondContact O-N 3.26Å; W84-F87 VanDerWaalsContact O-N 3.15Å; W84-E88 WeakPolarHBondContact O-CG 3.26Å; W84-E88 PolarHBondContact O-N 3.49Å; W84-H207 HydrophobicContact CB-CB 4.43Å; W84-H207 AromaticContact CD1-CD2 3.38Å; W84-H207 AromaticContact CD1-CE1 3.82Å; W84-H207 AromaticContact CD1-CG 3.89Å; W84-H207 AromaticContact CD1-NE2 3.35Å; W84-H207 VanDerWaalsContact CD1-NE2 3.35Å; W84-H207 HydrophobicContact CD2-CB 3.65Å; W84-H207 AromaticContact CD2-CD2 3.5Å; W84-H207 AromaticContact CD2-CG 3.57Å; W84-H207 AromaticContact CE2-CD2 3.3Å; W84-H207 AromaticContact CE2-CG 3.87Å; W84-H207 HydrophobicContact CE3-CB 3.53Å; W84-H207 HydrophobicContact CG-CB 4.07Å; W84-H207 AromaticContact CG-CD2 3.54Å; W84-H207 AromaticContact CG-CG 3.58Å; W84-H207 AromaticContact CG-ND1 3.89Å; W84-H207 AromaticContact CG-NE2 3.84Å; W84-H207 HydrophobicContact CH2-CB 4.45Å; W84-H207 AromaticContact CZ2-CD2 3.91Å; W84-H207 HydrophobicContact CZ3-CB 3.98Å; W84-H207 AromaticContact NE1-CD2 3.23Å; W84-H207 PolarHBondContact NE1-CD2 3.42Å; W84-H207 AromaticContact NE1-NE2 3.49Å; W84-H207 PolarHBondContact NE1-NE2 3.08Å; W84-E239 WeakPolarHBondContact CZ2-OE1 3.45Å; W84-L295 HydrophobicContact CH2-CD1 4.03Å; W84-L295 HydrophobicContact CZ2-CD1 3.62Å
85S96.2Very high96.2Very high68 Ų6846.8 Ų46.848%0.47625%0.253SS..Hα-helixtrans-60.6-41.5175.4-1770000112.2N81 V83 T89N81-S85 WeakPolarHBondContact O-CB 3.31Å; N81-S85 PolarHBondContact O-N 2.88Å; V83-S85 PolarHBondContact O-N 2.7Å; S85-T89 WeakPolarHBondContact O-CB 3.49Å; S85-T89 PolarHBondContact O-N 3.48Å; S85-T89 VanDerWaalsContact O-N 3.07Å; S85-T89 PolarHBondContact O-OG1 2.84Å
86K97.3Very high96.3Very high42 Ų4242.6 Ų42.618%0.18323%0.23CC..Hα-helixtrans-64.6-44.3173.3173.563.6177.5-179.50111.3R64 T67 L68 Y77 V82 V83 W84 T89 I90R64-K86 PolarHBondContact O-NZ 2.79Å; R64-K86 VanDerWaalsContact O-NZ 3.14Å; T67-K86 WeakPolarHBondContact O-CE 3.31Å; L68-K86 HydrophobicContact CD2-CB 4.01Å; L68-K86 HydrophobicContact CD2-CG 3.41Å; L68-K86 VanDerWaalsContact CD2-CG 3.41Å; Y77-K86 HydrophobicContact CE1-CB 4Å; Y77-K86 HydrophobicContact CE1-CG 3.96Å; V82-K86 PolarHBondContact O-N 3.23Å; V82-K86 VanDerWaalsContact O-N 3.12Å; V83-K86 PolarHBondContact O-N 2.62Å; W84-K86 VanDerWaalsContact C-N 3.32Å; W84-K86 PolarHBondContact O-N 3.21Å; K86-T89 WeakPolarHBondContact O-CB 3.48Å; K86-T89 PolarHBondContact O-N 3.18Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 2.92Å; K86-I90 VanDerWaalsContact O-N 3.08Å
87F97.9Very high96.4Very high8 Ų838.7 Ų38.74%0.03521%0.21CC..Hα-helixtrans-59.6-49.9-179.9-177.7-131.3000111.7L68 V83 W84 T89 I90 F91 L295 D322 M325 F326L68-F87 HydrophobicContact CD1-CB 4.16Å; L68-F87 HydrophobicContact CD1-CD2 4.03Å; L68-F87 HydrophobicContact CD1-CG 4.34Å; L68-F87 HydrophobicContact CD2-CB 4.35Å; V83-F87 WeakPolarHBondContact O-CB 3.46Å; V83-F87 PolarHBondContact O-N 2.71Å; W84-F87 HydrophobicContact CD2-CD1 4.49Å; W84-F87 AromaticContact CE3-CD1 3.7Å; W84-F87 HydrophobicContact CE3-CD1 3.7Å; W84-F87 HydrophobicContact CE3-CE1 4.33Å; W84-F87 HydrophobicContact CH2-CD1 4.44Å; W84-F87 HydrophobicContact CH2-CE1 4.32Å; W84-F87 AromaticContact CZ3-CD1 3.66Å; W84-F87 HydrophobicContact CZ3-CD1 3.66Å; W84-F87 AromaticContact CZ3-CE1 3.82Å; W84-F87 HydrophobicContact CZ3-CE1 3.82Å; W84-F87 WeakPolarHBondContact O-CB 3.29Å; W84-F87 PolarHBondContact O-N 3.26Å; W84-F87 VanDerWaalsContact O-N 3.15Å; F87-T89 VanDerWaalsContact C-N 3.28Å; F87-T89 PolarHBondContact O-N 3.29Å; F87-I90 WeakPolarHBondContact O-CB 3.38Å; F87-I90 PolarHBondContact O-N 3.45Å; F87-F91 HydrophobicContact CD1-CE2 4.34Å; F87-F91 HydrophobicContact CD2-CE2 4.21Å; F87-F91 AromaticContact CE1-CE2 3.98Å; F87-F91 HydrophobicContact CE1-CE2 3.98Å; F87-F91 AromaticContact CE2-CE2 3.83Å; F87-F91 HydrophobicContact CE2-CE2 3.83Å; F87-F91 HydrophobicContact CE2-CZ 4.25Å; F87-F91 HydrophobicContact CG-CE2 4.46Å; F87-F91 AromaticContact CZ-CE2 3.72Å; F87-F91 HydrophobicContact CZ-CE2 3.72Å; F87-F91 HydrophobicContact CZ-CZ 4.02Å; F87-F91 WeakPolarHBondContact O-CD2 3.45Å; F87-L295 HydrophobicContact CB-CD2 4.26Å; F87-L295 HydrophobicContact CD1-CD2 4.03Å; F87-L295 HydrophobicContact CE1-CD1 4.36Å; F87-L295 HydrophobicContact CG-CD2 4.13Å; F87-D322 HydrophobicContact CE2-CB 3.86Å; F87-D322 HydrophobicContact CZ-CB 3.82Å; F87-D322 WeakPolarHBondContact CZ-OD2 3.37Å; F87-M325 HydrophobicContact CD2-CB 4.29Å; F87-M325 HydrophobicContact CD2-SD 3.73Å; F87-M325 HydrophobicContact CE2-CB 3.95Å; F87-M325 HydrophobicContact CE2-CG 4.26Å; F87-M325 HydrophobicContact CE2-SD 3.45Å; F87-M325 WeakPolarHBondContact CE2-SD 3.4Å; F87-M325 HydrophobicContact CZ-SD 4.48Å; F87-F326 HydrophobicContact CD2-CE1 4.18Å; F87-F326 AromaticContact CE2-CE1 3.69Å; F87-F326 HydrophobicContact CE2-CE1 3.69Å; F87-F326 AromaticContact CE2-CZ 4Å; F87-F326 HydrophobicContact CE2-CZ 4Å; F87-F326 HydrophobicContact CZ-CE1 4.02Å; F87-F326 AromaticContact CZ-CZ 3.9Å; F87-F326 HydrophobicContact CZ-CZ 3.9Å
88E96.4Very high96.5Very high77 Ų7738.7 Ų38.736%0.3621%0.211SC..Hα-helixtrans-60.6-37.7174.4-70.8-171.7156.400112.4W84 I90 F91 F92 H173W84-E88 WeakPolarHBondContact O-CG 3.26Å; W84-E88 PolarHBondContact O-N 3.49Å; E88-I90 PolarHBondContact O-N 3.12Å; E88-F91 PolarHBondContact O-N 3.48Å; E88-F92 PolarHBondContact O-N 3.22Å; E88-H173 IonicContact OE1-CE1 2.67Å; E88-H173 PolarHBondContact OE1-CE1 2.91Å; E88-H173 IonicContact OE1-NE2 2.85Å; E88-H173 PolarHBondContact OE1-NE2 3.33Å
89T96.8Very high96.6Very high40 Ų4035.5 Ų35.525%0.24519%0.189CC..Hα-helixtrans-62.6-31.6176.3-61.40000112.1I23 S85 K86 F87 F92 T93I23-T89 HydrophobicContact CD1-CG2 4.39Å; I23-T89 HydrophobicContact CG1-CG2 4.41Å; I23-T89 HydrophobicContact CG2-CG2 3.95Å; S85-T89 WeakPolarHBondContact O-CB 3.49Å; S85-T89 PolarHBondContact O-N 3.48Å; S85-T89 VanDerWaalsContact O-N 3.07Å; S85-T89 PolarHBondContact O-OG1 2.84Å; K86-T89 WeakPolarHBondContact O-CB 3.48Å; K86-T89 PolarHBondContact O-N 3.18Å; F87-T89 VanDerWaalsContact C-N 3.28Å; F87-T89 PolarHBondContact O-N 3.29Å; T89-F92 PolarHBondContact O-N 3.31Å; T89-T93 WeakPolarHBondContact O-CB 3.47Å; T89-T93 PolarHBondContact O-N 2.55Å; T89-T93 PolarHBondContact O-OG1 2.92Å
90I97.9Very high96.8Very high0 Ų033.6 Ų33.60%018%0.177CC..Hα-helixtrans-62.7-48.3176.9-66163.9000110.1F66 T67 L68 K86 F87 E88 F92 T93 I94 M325F66-I90 VanDerWaalsContact O-CG2 3.29Å; F66-I90 WeakPolarHBondContact O-CG2 3.34Å; T67-I90 VanDerWaalsContact C-CD1 3.47Å; L68-I90 HydrophobicContact CD2-CD1 3.91Å; L68-I90 HydrophobicContact CG-CD1 4.01Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 2.92Å; K86-I90 VanDerWaalsContact O-N 3.08Å; F87-I90 WeakPolarHBondContact O-CB 3.38Å; F87-I90 PolarHBondContact O-N 3.45Å; E88-I90 PolarHBondContact O-N 3.12Å; I90-F92 VanDerWaalsContact C-N 3.28Å; I90-F92 PolarHBondContact O-N 3.47Å; I90-T93 WeakPolarHBondContact O-CB 3.36Å; I90-T93 PolarHBondContact O-N 3.23Å; I90-I94 HydrophobicContact CG2-CD1 4.21Å; I90-I94 HydrophobicContact CG2-CG2 4.41Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 3.03Å; I90-M325 HydrophobicContact CB-CE 4.46Å; I90-M325 HydrophobicContact CB-SD 3.85Å; I90-M325 HydrophobicContact CD1-CB 4.48Å; I90-M325 HydrophobicContact CD1-SD 4.36Å; I90-M325 HydrophobicContact CG2-CE 3.74Å; I90-M325 HydrophobicContact CG2-CG 3.98Å; I90-M325 HydrophobicContact CG2-SD 3.46Å; I90-M325 WeakPolarHBondContact CG2-SD 3.35Å
91F96.3Very high97.1Very high61 Ų6132.2 Ų32.227%0.26817%0.17SC..Hα-helixtrans-55.5-44.9176.9-71.2-81.9000111.8F87 E88 T93 S95 D322 M325F87-F91 HydrophobicContact CD1-CE2 4.34Å; F87-F91 HydrophobicContact CD2-CE2 4.21Å; F87-F91 AromaticContact CE1-CE2 3.98Å; F87-F91 HydrophobicContact CE1-CE2 3.98Å; F87-F91 AromaticContact CE2-CE2 3.83Å; F87-F91 HydrophobicContact CE2-CE2 3.83Å; F87-F91 HydrophobicContact CE2-CZ 4.25Å; F87-F91 HydrophobicContact CG-CE2 4.46Å; F87-F91 AromaticContact CZ-CE2 3.72Å; F87-F91 HydrophobicContact CZ-CE2 3.72Å; F87-F91 HydrophobicContact CZ-CZ 4.02Å; F87-F91 WeakPolarHBondContact O-CD2 3.45Å; E88-F91 PolarHBondContact O-N 3.48Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-S95 VanDerWaalsContact O-CB 3.27Å; F91-S95 WeakPolarHBondContact O-CB 3.41Å; F91-S95 PolarHBondContact O-N 2.88Å; F91-S95 VanDerWaalsContact O-N 3.11Å; F91-D322 WeakPolarHBondContact CZ-OD1 3.47Å; F91-M325 HydrophobicContact CD1-CE 3.53Å; F91-M325 HydrophobicContact CD2-CE 3.98Å; F91-M325 HydrophobicContact CD2-SD 4.19Å; F91-M325 HydrophobicContact CE1-CE 3.38Å; F91-M325 HydrophobicContact CE1-SD 4.37Å; F91-M325 HydrophobicContact CE2-CE 3.85Å; F91-M325 HydrophobicContact CE2-SD 3.83Å; F91-M325 HydrophobicContact CG-CE 3.84Å; F91-M325 HydrophobicContact CZ-CE 3.56Å; F91-M325 HydrophobicContact CZ-SD 3.93Å
92F94.6Very high97.2Very high89 Ų8929.8 Ų29.839%0.3916%0.16SC..Hα-helixtrans-65-39.5177.3-178.9-108.2000112.3I23 Q25 E88 T89 I90I23-F92 HydrophobicContact CG2-CD1 3.9Å; I23-F92 HydrophobicContact CG2-CE1 4.13Å; Q25-F92 VanDerWaalsContact CD-CZ 3.4Å; Q25-F92 HydrophobicContact CG-CE1 3.98Å; Q25-F92 HydrophobicContact CG-CZ 4.23Å; Q25-F92 PolarHBondContact NE2-O 3.38Å; Q25-F92 VanDerWaalsContact OE1-CZ 3.32Å; E88-F92 PolarHBondContact O-N 3.22Å; T89-F92 PolarHBondContact O-N 3.31Å; I90-F92 VanDerWaalsContact C-N 3.28Å; I90-F92 PolarHBondContact O-N 3.47Å
93T96.8Very high97.3Very high2 Ų227.1 Ų27.11%0.01214%0.144CC..Hα-helixtrans-64.5-50.9-179.2-61.50000111.2M24 F26 F66 T89 I90 F91M24-T93 HydrophobicContact CB-CG2 4.04Å; F26-T93 VanDerWaalsContact CD2-O 3.31Å; F26-T93 WeakPolarHBondContact CD2-O 3.36Å; F26-T93 HydrophobicContact CE2-CG2 3.93Å; F66-T93 HydrophobicContact CD1-CG2 3.94Å; F66-T93 HydrophobicContact CE1-CG2 3.67Å; T89-T93 WeakPolarHBondContact O-CB 3.47Å; T89-T93 PolarHBondContact O-N 2.55Å; T89-T93 PolarHBondContact O-OG1 2.92Å; I90-T93 WeakPolarHBondContact O-CB 3.36Å; I90-T93 PolarHBondContact O-N 3.23Å; F91-T93 VanDerWaalsContact C-N 3.35Å
94I97.4Very high97.4Very high5 Ų527.5 Ų27.53%0.02615%0.145CC..Hα-helixtrans-84-11.8-17470.6-175000113.6M1 F66 I90 G96 L97 I98 M325M1-I94 HydrophobicContact CE-CD1 3.73Å; M1-I94 HydrophobicContact SD-CD1 4.5Å; F66-I94 HydrophobicContact CB-CG2 4.08Å; F66-I94 HydrophobicContact CD1-CG2 3.59Å; F66-I94 HydrophobicContact CD2-CG2 3.87Å; F66-I94 HydrophobicContact CE1-CG2 3.99Å; F66-I94 HydrophobicContact CE2-CG2 4.21Å; F66-I94 HydrophobicContact CG-CG2 3.56Å; F66-I94 HydrophobicContact CZ-CG2 4.27Å; I90-I94 HydrophobicContact CG2-CD1 4.21Å; I90-I94 HydrophobicContact CG2-CG2 4.41Å; I90-I94 WeakPolarHBondContact O-CG1 3.46Å; I90-I94 PolarHBondContact O-N 3.03Å; I94-G96 VanDerWaalsContact C-N 3.3Å; I94-G96 PolarHBondContact O-N 2.75Å; I94-L97 WeakPolarHBondContact O-CB 3.5Å; I94-L97 PolarHBondContact O-N 3.32Å; I94-I98 HydrophobicContact CB-CD1 4.26Å; I94-I98 HydrophobicContact CD1-CD1 3.58Å; I94-I98 HydrophobicContact CG1-CD1 3.72Å; I94-I98 PolarHBondContact O-N 2.8Å; I94-I98 VanDerWaalsContact O-N 3.1Å; I94-M325 HydrophobicContact CD1-CE 3.86Å
95S96.6Very high97.5Very high31 Ų3130.7 Ų30.722%0.21716%0.157CC..Hα-helixtrans-52.9-46.3-174.3178.60000112.7F91 L97 I98 H99F91-S95 VanDerWaalsContact O-CB 3.27Å; F91-S95 WeakPolarHBondContact O-CB 3.41Å; F91-S95 PolarHBondContact O-N 2.88Å; F91-S95 VanDerWaalsContact O-N 3.11Å; S95-L97 PolarHBondContact O-N 3.27Å; S95-I98 PolarHBondContact O-N 2.75Å; S95-H99 WeakPolarHBondContact O-CB 3.19Å; S95-H99 PolarHBondContact O-N 3.01Å; S95-H99 PolarHBondContact O-ND1 3.39Å; S95-H99 PolarHBondContact OG-ND1 3.27Å
96G96.8Very high97.6Very high12 Ų1230.6 Ų30.612%0.12415%0.152CC..Hα-helixtrans-66.5-20.9179.800000114.2F26 I94 Y133F26-G96 WeakPolarHBondContact O-CA 2.99Å; I94-G96 VanDerWaalsContact C-N 3.3Å; I94-G96 PolarHBondContact O-N 2.75Å; G96-Y133 PolarHBondContact O-OH 2.7Å
97L98.4Very high97.6Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-78.6-52.1171.6-61.9175.1000110.7V8 T9 C14 F26 F28 F66 I94 S95 Y100 V103V8-L97 HydrophobicContact CG1-CB 4.23Å; V8-L97 HydrophobicContact CG1-CD2 4.21Å; T9-L97 HydrophobicContact CG2-CD1 3.72Å; T9-L97 HydrophobicContact CG2-CD2 4.17Å; C14-L97 VanDerWaalsContact SG-CD2 3.54Å; F26-L97 HydrophobicContact CB-CD1 4.46Å; F26-L97 HydrophobicContact CB-CD2 3.41Å; F26-L97 VanDerWaalsContact CB-CD2 3.41Å; F26-L97 HydrophobicContact CB-CG 3.59Å; F26-L97 HydrophobicContact CD1-CD1 4.34Å; F26-L97 HydrophobicContact CD1-CD2 3.82Å; F26-L97 HydrophobicContact CD1-CG 4.24Å; F26-L97 HydrophobicContact CD2-CD1 4.03Å; F26-L97 HydrophobicContact CD2-CD2 4.43Å; F26-L97 HydrophobicContact CD2-CG 3.99Å; F26-L97 HydrophobicContact CE2-CD1 4.4Å; F26-L97 HydrophobicContact CG-CD1 4.01Å; F26-L97 HydrophobicContact CG-CD2 3.63Å; F26-L97 HydrophobicContact CG-CG 3.67Å; F28-L97 HydrophobicContact CE2-CD2 3.89Å; F28-L97 HydrophobicContact CZ-CD2 4.49Å; F66-L97 HydrophobicContact CE2-CD1 3.79Å; F66-L97 HydrophobicContact CZ-CD1 3.75Å; I94-L97 WeakPolarHBondContact O-CB 3.5Å; I94-L97 PolarHBondContact O-N 3.32Å; S95-L97 PolarHBondContact O-N 3.27Å; L97-Y100 PolarHBondContact O-N 3.18Å; L97-V103 WeakPolarHBondContact O-CB 3.48Å; L97-V103 WeakPolarHBondContact O-CG1 3.27Å
98I97.9Very high97.6Very high15 Ų1531.5 Ų31.58%0.07715%0.154CC..Hα-helixtrans-71.1-35.4-170.5-63.9175.9000111.9L4 I94 S95 Y100 F104 Y107L4-I98 HydrophobicContact CD1-CD1 4.02Å; L4-I98 HydrophobicContact CD1-CG1 4.12Å; L4-I98 HydrophobicContact CD2-CG1 4.18Å; I94-I98 HydrophobicContact CB-CD1 4.26Å; I94-I98 HydrophobicContact CD1-CD1 3.58Å; I94-I98 HydrophobicContact CG1-CD1 3.72Å; I94-I98 PolarHBondContact O-N 2.8Å; I94-I98 VanDerWaalsContact O-N 3.1Å; S95-I98 PolarHBondContact O-N 2.75Å; I98-Y100 PolarHBondContact O-N 3.41Å; I98-F104 HydrophobicContact CG2-CD2 4.42Å; I98-F104 VanDerWaalsContact O-CA 3.22Å; I98-F104 WeakPolarHBondContact O-CA 3.21Å; I98-F104 VanDerWaalsContact O-CB 3.26Å; I98-F104 WeakPolarHBondContact O-CB 3.31Å; I98-F104 PolarHBondContact O-N 2.94Å; I98-Y107 HydrophobicContact CD1-CD1 4.41Å; I98-Y107 HydrophobicContact CD1-CD2 4.44Å; I98-Y107 HydrophobicContact CD1-CE1 3.97Å; I98-Y107 HydrophobicContact CD1-CE2 3.99Å; I98-Y107 HydrophobicContact CG1-CD2 4.4Å; I98-Y107 HydrophobicContact CG1-CE2 4.42Å; I98-Y107 HydrophobicContact CG1-CG 4.46Å; I98-Y107 HydrophobicContact CG2-CD1 3.74Å; I98-Y107 HydrophobicContact CG2-CE1 4.14Å; I98-Y107 HydrophobicContact CG2-CG 4.15Å
99H98.2Very high97.7Very high30 Ų3030.9 Ų30.914%0.13915%0.151CC..THydrogen-bonded Turntrans-86.212.8-177.5-59.195.5000113.6S95 V132 Y133S95-H99 WeakPolarHBondContact O-CB 3.19Å; S95-H99 PolarHBondContact O-N 3.01Å; S95-H99 PolarHBondContact O-ND1 3.39Å; S95-H99 PolarHBondContact OG-ND1 3.27Å; H99-V132 CarbonylContact O-C 3.51Å; H99-V132 WeakPolarHBondContact O-CA 3.46Å; H99-V132 WeakPolarHBondContact O-CG1 3.4Å; H99-Y133 HydrophobicContact CB-CD1 4.29Å; H99-Y133 HydrophobicContact CB-CE1 4.34Å; H99-Y133 WeakPolarHBondContact O-CD1 3.35Å; H99-Y133 WeakPolarHBondContact O-CE1 3.27Å; H99-Y133 PolarHBondContact O-N 3.43Å
100Y98.6Very high97.8Very high32 Ų3233.4 Ų33.413%0.12516%0.156CC..BIsolated β-bridgetrans-81.7122.6164.8173.5-134.5000109.5F28 L97 I98 P102 V103 F104 Y133 L135F28-Y100 HydrophobicContact CB-CD1 3.69Å; F28-Y100 HydrophobicContact CB-CD2 3.81Å; F28-Y100 HydrophobicContact CB-CE1 3.96Å; F28-Y100 HydrophobicContact CB-CE2 4.09Å; F28-Y100 HydrophobicContact CB-CG 3.62Å; F28-Y100 AromaticContact CD1-CD1 3.63Å; F28-Y100 HydrophobicContact CD1-CD1 3.63Å; F28-Y100 AromaticContact CD1-CE1 3.62Å; F28-Y100 HydrophobicContact CD1-CE1 3.62Å; F28-Y100 HydrophobicContact CD1-CG 4.42Å; F28-Y100 AromaticContact CD2-CD1 3.37Å; F28-Y100 HydrophobicContact CD2-CD1 3.37Å; F28-Y100 HydrophobicContact CD2-CE1 4.23Å; F28-Y100 AromaticContact CD2-CG 3.62Å; F28-Y100 HydrophobicContact CD2-CG 3.62Å; F28-Y100 HydrophobicContact CE1-CD1 4.06Å; F28-Y100 HydrophobicContact CE1-CE1 4.14Å; F28-Y100 AromaticContact CE2-CD1 3.82Å; F28-Y100 HydrophobicContact CE2-CD1 3.82Å; F28-Y100 HydrophobicContact CE2-CG 4.39Å; F28-Y100 AromaticContact CG-CD1 3.25Å; F28-Y100 HydrophobicContact CG-CD1 3.25Å; F28-Y100 HydrophobicContact CG-CD2 4.3Å; F28-Y100 AromaticContact CG-CE1 3.67Å; F28-Y100 HydrophobicContact CG-CE1 3.67Å; F28-Y100 AromaticContact CG-CG 3.63Å; F28-Y100 HydrophobicContact CG-CG 3.63Å; F28-Y100 HydrophobicContact CZ-CD1 4.15Å; L97-Y100 PolarHBondContact O-N 3.18Å; I98-Y100 PolarHBondContact O-N 3.41Å; Y100-P102 HydrophobicContact CD1-CG 4.45Å; Y100-P102 HydrophobicContact CE1-CB 4.19Å; Y100-P102 HydrophobicContact CE1-CG 3.83Å; Y100-P102 VanDerWaalsContact CE2-CD 3.42Å; Y100-P102 HydrophobicContact CE2-CG 3.99Å; Y100-P102 VanDerWaalsContact CZ-CD 3.47Å; Y100-P102 VanDerWaalsContact O-N 3.12Å; Y100-V103 HydrophobicContact CD1-CB 4.29Å; Y100-V103 HydrophobicContact CD1-CG2 3.65Å; Y100-V103 HydrophobicContact CE1-CG2 4.41Å; Y100-V103 CarbonylContact O-C 3.55Å; Y100-V103 WeakPolarHBondContact O-CA 3.15Å; Y100-V103 WeakPolarHBondContact O-CB 3.42Å; Y100-V103 PolarHBondContact O-N 3.22Å; Y100-F104 PolarHBondContact O-N 3.37Å; Y100-Y133 WeakPolarHBondContact CA-O 3.36Å; Y100-Y133 HydrophobicContact CD2-CD2 4.4Å; Y100-Y133 HydrophobicContact CD2-CE2 4.06Å; Y100-Y133 WeakPolarHBondContact CD2-O 3.29Å; Y100-Y133 HydrophobicContact CG-CE2 4.46Å; Y100-L135 HydrophobicContact CE2-CB 4Å; Y100-L135 HydrophobicContact CE2-CD1 4.42Å
101A98.6Very high97.7Very high0 Ų035 Ų350%017%0.167CC..Hα-helixtrans-51.9-40.1-163.900000116.4R105 V132 Y133 E134 W144A101-R105 PolarHBondContact O-N 2.95Å; A101-R105 PolarHBondContact O-NH1 3.47Å; A101-V132 HydrophobicContact CB-CG1 3.7Å; A101-Y133 PolarHBondContact N-O 3.06Å; A101-E134 VanDerWaalsContact CB-OE1 3.29Å; A101-E134 WeakPolarHBondContact CB-OE1 3.3Å; A101-W144 HydrophobicContact CB-CH2 3.83Å; A101-W144 HydrophobicContact CB-CZ2 4.15Å
102P98.5Very high97.8Very high45 Ų4532.1 Ų32.129%0.29215%0.154SC..Hα-helixtrans-67.5-40.9172.7-23.737000113.1Y100 D106Y100-P102 HydrophobicContact CD1-CG 4.45Å; Y100-P102 HydrophobicContact CE1-CB 4.19Å; Y100-P102 HydrophobicContact CE1-CG 3.83Å; Y100-P102 VanDerWaalsContact CE2-CD 3.42Å; Y100-P102 HydrophobicContact CE2-CG 3.99Å; Y100-P102 VanDerWaalsContact CZ-CD 3.47Å; Y100-P102 VanDerWaalsContact O-N 3.12Å; P102-D106 PolarHBondContact O-N 3.08Å
103V98.8Very high98Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-68.8-38177.4174.20000110.9W3 V8 F28 L97 Y100 R105 D106 Y107W3-V103 HydrophobicContact CH2-CG1 4.32Å; W3-V103 HydrophobicContact CZ3-CG1 4.46Å; V8-V103 HydrophobicContact CB-CG1 4.48Å; V8-V103 HydrophobicContact CG1-CB 4.37Å; V8-V103 HydrophobicContact CG1-CG1 3.74Å; V8-V103 HydrophobicContact CG1-CG2 3.65Å; V8-V103 HydrophobicContact CG2-CG1 3.89Å; V8-V103 HydrophobicContact CG2-CG2 4.37Å; F28-V103 HydrophobicContact CE2-CG2 4.08Å; F28-V103 HydrophobicContact CZ-CG2 4.12Å; L97-V103 WeakPolarHBondContact O-CB 3.48Å; L97-V103 WeakPolarHBondContact O-CG1 3.27Å; Y100-V103 HydrophobicContact CD1-CB 4.29Å; Y100-V103 HydrophobicContact CD1-CG2 3.65Å; Y100-V103 HydrophobicContact CE1-CG2 4.41Å; Y100-V103 CarbonylContact O-C 3.55Å; Y100-V103 WeakPolarHBondContact O-CA 3.15Å; Y100-V103 WeakPolarHBondContact O-CB 3.42Å; Y100-V103 PolarHBondContact O-N 3.22Å; V103-R105 VanDerWaalsContact C-N 3.35Å; V103-R105 PolarHBondContact O-N 3.16Å; V103-D106 PolarHBondContact O-N 3.46Å; V103-Y107 WeakPolarHBondContact O-CB 3.33Å; V103-Y107 PolarHBondContact O-N 3.01Å
104F98.7Very high98Very high8 Ų832 Ų324%0.03516%0.155CC..Hα-helixtrans-55.3-50.4176.6-177.3-103.8000111.1I98 Y100 D106 Y107 V108 V132 W144 T148 Y149I98-F104 HydrophobicContact CG2-CD2 4.42Å; I98-F104 VanDerWaalsContact O-CA 3.22Å; I98-F104 WeakPolarHBondContact O-CA 3.21Å; I98-F104 VanDerWaalsContact O-CB 3.26Å; I98-F104 WeakPolarHBondContact O-CB 3.31Å; I98-F104 PolarHBondContact O-N 2.94Å; Y100-F104 PolarHBondContact O-N 3.37Å; F104-D106 PolarHBondContact O-N 2.81Å; F104-Y107 PolarHBondContact O-N 3.01Å; F104-V108 HydrophobicContact CE1-CG2 4.26Å; F104-V108 HydrophobicContact CE2-CG2 4.42Å; F104-V108 HydrophobicContact CZ-CG2 4.2Å; F104-V108 WeakPolarHBondContact O-CG2 3.37Å; F104-V108 PolarHBondContact O-N 3.16Å; F104-V132 HydrophobicContact CB-CG1 4.23Å; F104-V132 HydrophobicContact CD1-CG2 4.27Å; F104-V132 HydrophobicContact CD2-CG2 3.99Å; F104-V132 HydrophobicContact CE1-CG2 4.43Å; F104-V132 HydrophobicContact CE2-CG2 4.16Å; F104-V132 HydrophobicContact CG-CG1 4.4Å; F104-V132 HydrophobicContact CG-CG2 4.04Å; F104-V132 HydrophobicContact CZ-CG2 4.37Å; F104-W144 HydrophobicContact CD1-CH2 4.49Å; F104-W144 AromaticContact CD1-CZ3 3.99Å; F104-W144 HydrophobicContact CD1-CZ3 3.99Å; F104-W144 HydrophobicContact CE1-CZ3 4.23Å; F104-T148 HydrophobicContact CD1-CG2 3.79Å; F104-T148 HydrophobicContact CE1-CG2 3.8Å; F104-Y149 HydrophobicContact CE1-CE2 4.4Å; F104-Y149 HydrophobicContact CE2-CE2 4.31Å; F104-Y149 HydrophobicContact CZ-CD2 4.08Å; F104-Y149 AromaticContact CZ-CE2 3.53Å; F104-Y149 HydrophobicContact CZ-CE2 3.53Å; F104-Y149 AromaticContact CZ-CZ 3.82Å
105R98.7Very high98Very high80 Ų8033 Ų3330%0.30216%0.159SC..Hα-helixtrans-58.4-48.3177.1-72179.9178.591.6-4.6112.2A101 V103 Y107 V108 F109 T148 V152A101-R105 PolarHBondContact O-N 2.95Å; A101-R105 PolarHBondContact O-NH1 3.47Å; V103-R105 VanDerWaalsContact C-N 3.35Å; V103-R105 PolarHBondContact O-N 3.16Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-Y107 PolarHBondContact O-N 2.96Å; R105-V108 PolarHBondContact O-N 3.42Å; R105-F109 PolarHBondContact O-N 3.11Å; R105-T148 HydrophobicContact CG-CG2 3.57Å; R105-V152 HydrophobicContact CB-CG2 4.19Å; R105-V152 HydrophobicContact CG-CG2 4.16Å
106D98.6Very high98.1Very high66 Ų6633.9 Ų33.935%0.35316%0.158SC..Hα-helixtrans-64.2-38.2179.2-68.1-17.3000111.9W3 R11 P102 V103 F104 F109 R110W3-D106 HydrophobicContact CH2-CB 3.53Å; W3-D106 HydrophobicContact CZ2-CB 3.63Å; R11-D106 IonicContact CZ-OD2 3.15Å; R11-D106 IonicContact NH1-OD2 2.61Å; R11-D106 PolarHBondContact NH1-OD2 2.66Å; R11-D106 IonicContact NH2-OD2 2.68Å; R11-D106 PolarHBondContact NH2-OD2 3.12Å; P102-D106 PolarHBondContact O-N 3.08Å; V103-D106 PolarHBondContact O-N 3.46Å; F104-D106 PolarHBondContact O-N 2.81Å; D106-F109 PolarHBondContact O-N 2.75Å; D106-R110 WeakPolarHBondContact O-CB 3.36Å; D106-R110 PolarHBondContact O-N 3.35Å
107Y98.1Very high98.1Very high65 Ų6538.1 Ų38.126%0.25517%0.174SC..Hα-helixtrans-66.6-43.5179.8-174.5-103.9000111.3W3 L4 I98 V103 F104 R105 R110 S111W3-Y107 HydrophobicContact CE3-CD2 4.31Å; W3-Y107 AromaticContact CZ3-CD2 3.89Å; W3-Y107 HydrophobicContact CZ3-CD2 3.89Å; L4-Y107 HydrophobicContact CD1-CE2 4.12Å; L4-Y107 HydrophobicContact CD2-CD2 4.04Å; L4-Y107 HydrophobicContact CD2-CE2 4.35Å; L4-Y107 HydrophobicContact CG-CD2 4.47Å; L4-Y107 HydrophobicContact CG-CE2 4.34Å; I98-Y107 HydrophobicContact CD1-CD1 4.41Å; I98-Y107 HydrophobicContact CD1-CD2 4.44Å; I98-Y107 HydrophobicContact CD1-CE1 3.97Å; I98-Y107 HydrophobicContact CD1-CE2 3.99Å; I98-Y107 HydrophobicContact CG1-CD2 4.4Å; I98-Y107 HydrophobicContact CG1-CE2 4.42Å; I98-Y107 HydrophobicContact CG1-CG 4.46Å; I98-Y107 HydrophobicContact CG2-CD1 3.74Å; I98-Y107 HydrophobicContact CG2-CE1 4.14Å; I98-Y107 HydrophobicContact CG2-CG 4.15Å; V103-Y107 WeakPolarHBondContact O-CB 3.33Å; V103-Y107 PolarHBondContact O-N 3.01Å; F104-Y107 PolarHBondContact O-N 3.01Å; R105-Y107 VanDerWaalsContact C-N 3.32Å; R105-Y107 PolarHBondContact O-N 2.96Å; Y107-R110 PolarHBondContact O-N 2.93Å; Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.97Å
108V98.1Very high98.1Very high4 Ų439.8 Ų39.82%0.02418%0.183CC..Hα-helixtrans-62.2-47.3174.1174.50000110.9F104 R105 R110 S111 M112 Y149 V152F104-V108 HydrophobicContact CE1-CG2 4.26Å; F104-V108 HydrophobicContact CE2-CG2 4.42Å; F104-V108 HydrophobicContact CZ-CG2 4.2Å; F104-V108 WeakPolarHBondContact O-CG2 3.37Å; F104-V108 PolarHBondContact O-N 3.16Å; R105-V108 PolarHBondContact O-N 3.42Å; V108-R110 VanDerWaalsContact C-N 3.35Å; V108-R110 PolarHBondContact O-N 3.09Å; V108-S111 WeakPolarHBondContact O-CB 3.44Å; V108-S111 PolarHBondContact O-N 3.23Å; V108-M112 HydrophobicContact CG1-CE 4.22Å; V108-M112 PolarHBondContact O-N 3.48Å; V108-Y149 HydrophobicContact CB-CD1 4.3Å; V108-Y149 HydrophobicContact CB-CE1 4.21Å; V108-Y149 HydrophobicContact CG1-CD1 3.49Å; V108-Y149 VanDerWaalsContact CG1-CD1 3.49Å; V108-Y149 HydrophobicContact CG1-CE1 3.78Å; V108-Y149 HydrophobicContact CG2-CD1 3.75Å; V108-Y149 HydrophobicContact CG2-CE1 3.33Å; V108-V152 HydrophobicContact CB-CG1 4.24Å; V108-V152 HydrophobicContact CG1-CB 4.16Å; V108-V152 HydrophobicContact CG1-CG1 3.92Å
109F98.4Very high98Very high63 Ų6344.2 Ų44.228%0.27621%0.207SC..Hα-helixtrans-59.8-46.4177.2-173-86.1000111.5R105 D106 S111 M112 Q113 V152 F156R105-F109 PolarHBondContact O-N 3.11Å; D106-F109 PolarHBondContact O-N 2.75Å; F109-S111 VanDerWaalsContact C-N 3.33Å; F109-S111 PolarHBondContact O-N 3Å; F109-M112 PolarHBondContact O-N 3.37Å; F109-Q113 VanDerWaalsContact CE1-OE1 3.28Å; F109-Q113 PolarHBondContact O-N 3.4Å; F109-V152 HydrophobicContact CB-CG1 3.69Å; F109-V152 HydrophobicContact CD2-CG1 4.12Å; F109-V152 HydrophobicContact CG-CG1 4.42Å; F109-F156 HydrophobicContact CD2-CB 4.41Å; F109-F156 AromaticContact CD2-CD2 3.88Å; F109-F156 HydrophobicContact CD2-CD2 3.88Å; F109-F156 HydrophobicContact CE1-CD2 4.24Å; F109-F156 HydrophobicContact CE1-CE2 4.38Å; F109-F156 HydrophobicContact CE2-CB 4.23Å; F109-F156 AromaticContact CE2-CD2 3.56Å; F109-F156 HydrophobicContact CE2-CD2 3.56Å; F109-F156 HydrophobicContact CE2-CE2 4.42Å; F109-F156 HydrophobicContact CE2-CG 4.36Å; F109-F156 HydrophobicContact CG-CD2 4.36Å; F109-F156 AromaticContact CZ-CD2 3.75Å; F109-F156 HydrophobicContact CZ-CD2 3.75Å; F109-F156 HydrophobicContact CZ-CE2 4.18Å
110R97.1Very high98Very high94 Ų9443.9 Ų43.936%0.35521%0.207SC..Hα-helixtrans-64.1-37.9-179.9-17760.3176.9-145.13.4112.1W3 D106 Y107 V108 Q113 E114W3-R110 HydrophobicContact CD2-CG 4.46Å; D106-R110 WeakPolarHBondContact O-CB 3.36Å; D106-R110 PolarHBondContact O-N 3.35Å; Y107-R110 PolarHBondContact O-N 2.93Å; V108-R110 VanDerWaalsContact C-N 3.35Å; V108-R110 PolarHBondContact O-N 3.09Å; R110-Q113 WeakPolarHBondContact O-CB 3.43Å; R110-Q113 PolarHBondContact O-N 2.86Å; R110-E114 HydrophobicContact CG-CG 4.46Å; R110-E114 IonicContact CZ-OE1 3.01Å; R110-E114 IonicContact NE-OE1 3.59Å; R110-E114 PolarHBondContact NE-OE1 3.31Å; R110-E114 IonicContact NH2-OE1 3.01Å; R110-E114 PolarHBondContact NH2-OE1 2.79Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 2.84Å
111S96.9Very high97.9Very high34 Ų3442.8 Ų42.824%0.23820%0.203CC..Hα-helixtrans-57.8-52.2174.1-175.80000110.7Y107 V108 F109 Q113 E114 F115Y107-S111 WeakPolarHBondContact O-CB 3.44Å; Y107-S111 PolarHBondContact O-N 2.97Å; V108-S111 WeakPolarHBondContact O-CB 3.44Å; V108-S111 PolarHBondContact O-N 3.23Å; F109-S111 VanDerWaalsContact C-N 3.33Å; F109-S111 PolarHBondContact O-N 3Å; S111-Q113 VanDerWaalsContact C-N 3.33Å; S111-Q113 PolarHBondContact O-N 2.9Å; S111-E114 PolarHBondContact O-N 2.73Å; S111-F115 WeakPolarHBondContact O-CD2 3.43Å; S111-F115 PolarHBondContact O-N 2.94Å; S111-F115 VanDerWaalsContact O-N 3.12Å
112M98.3Very high97.9Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-60.6-40.6176.6-66.3-178.5-65.300112.5V108 F109 E114 F115 Y116 M123 V152 A153 F156 F163 I166V108-M112 HydrophobicContact CG1-CE 4.22Å; V108-M112 PolarHBondContact O-N 3.48Å; F109-M112 PolarHBondContact O-N 3.37Å; M112-E114 PolarHBondContact O-N 2.98Å; M112-F115 PolarHBondContact O-N 3.22Å; M112-Y116 WeakPolarHBondContact O-CB 3.49Å; M112-Y116 PolarHBondContact O-N 2.94Å; M112-M123 HydrophobicContact CG-SD 4.23Å; M112-V152 HydrophobicContact CE-CG1 3.72Å; M112-A153 HydrophobicContact CE-CB 4.45Å; M112-A153 HydrophobicContact SD-CB 4Å; M112-F156 HydrophobicContact CB-CD1 4.12Å; M112-F156 HydrophobicContact CB-CD2 4Å; M112-F156 HydrophobicContact CB-CE1 4.1Å; M112-F156 HydrophobicContact CB-CE2 4Å; M112-F156 HydrophobicContact CB-CG 4.08Å; M112-F156 HydrophobicContact CB-CZ 4.05Å; M112-F156 HydrophobicContact CE-CB 3.66Å; M112-F156 HydrophobicContact CE-CD2 4.22Å; M112-F156 HydrophobicContact CE-CG 3.97Å; M112-F156 HydrophobicContact SD-CB 4.19Å; M112-F156 HydrophobicContact SD-CD1 4.49Å; M112-F156 HydrophobicContact SD-CG 4.28Å; M112-F163 HydrophobicContact CB-CZ 4.25Å; M112-F163 HydrophobicContact CG-CE1 4.24Å; M112-F163 HydrophobicContact CG-CZ 4.04Å; M112-F163 HydrophobicContact SD-CE1 3.8Å; M112-F163 HydrophobicContact SD-CZ 4.19Å; M112-I166 HydrophobicContact CG-CG2 3.98Å; M112-I166 HydrophobicContact SD-CD1 4.34Å; M112-I166 HydrophobicContact SD-CG2 3.64Å
113Q97.8Very high97.9Very high46 Ų4642.8 Ų42.822%0.21520%0.199CC..Hα-helixtrans-56.7-49.6175.3-174.19554.600111.5F109 R110 S111 F115 Y116 E117 F156F109-Q113 VanDerWaalsContact CE1-OE1 3.28Å; F109-Q113 PolarHBondContact O-N 3.4Å; R110-Q113 WeakPolarHBondContact O-CB 3.43Å; R110-Q113 PolarHBondContact O-N 2.86Å; S111-Q113 VanDerWaalsContact C-N 3.33Å; S111-Q113 PolarHBondContact O-N 2.9Å; Q113-F115 PolarHBondContact O-N 2.82Å; Q113-Y116 PolarHBondContact O-N 3.34Å; Q113-E117 WeakPolarHBondContact O-CB 3.35Å; Q113-E117 VanDerWaalsContact O-CG 3.28Å; Q113-E117 WeakPolarHBondContact O-CG 3.4Å; Q113-E117 PolarHBondContact O-N 2.97Å; Q113-F156 HydrophobicContact CB-CE2 4.02Å
114E97.2Very high97.9Very high42 Ų4244.7 Ų44.720%0.19621%0.208CC..Hα-helixtrans-67.3-36.9-176-71.7-173.1-178.800112.6R110 S111 M112 D118 K329R110-E114 HydrophobicContact CG-CG 4.46Å; R110-E114 IonicContact CZ-OE1 3.01Å; R110-E114 IonicContact NE-OE1 3.59Å; R110-E114 PolarHBondContact NE-OE1 3.31Å; R110-E114 IonicContact NH2-OE1 3.01Å; R110-E114 PolarHBondContact NH2-OE1 2.79Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 2.84Å; S111-E114 PolarHBondContact O-N 2.73Å; M112-E114 PolarHBondContact O-N 2.98Å; E114-D118 PolarHBondContact O-N 3.36Å; E114-K329 HydrophobicContact CB-CG 4.43Å
115F98.3Very high97.8Very high25 Ų2545.9 Ų45.911%0.1121%0.214CC..Hα-helixtrans-72.2-38.1173.9-86.1-87.4000112.4S111 M112 Q113 D118 N119 V120 M123 S320 P323 L331S111-F115 WeakPolarHBondContact O-CD2 3.43Å; S111-F115 PolarHBondContact O-N 2.94Å; S111-F115 VanDerWaalsContact O-N 3.12Å; M112-F115 PolarHBondContact O-N 3.22Å; Q113-F115 PolarHBondContact O-N 2.82Å; F115-D118 CarbonylContact O-C 3.57Å; F115-D118 WeakPolarHBondContact O-CA 3.35Å; F115-D118 WeakPolarHBondContact O-CB 3.46Å; F115-D118 PolarHBondContact O-N 2.9Å; F115-D118 VanDerWaalsContact O-N 3.08Å; F115-N119 PolarHBondContact O-N 2.81Å; F115-V120 HydrophobicContact CB-CB 4.05Å; F115-V120 HydrophobicContact CB-CG1 4.4Å; F115-V120 HydrophobicContact CD1-CB 4.1Å; F115-V120 HydrophobicContact CD1-CG1 4.17Å; F115-V120 HydrophobicContact CD1-CG2 4Å; F115-V120 WeakPolarHBondContact O-CB 3.28Å; F115-V120 PolarHBondContact O-N 3.31Å; F115-M123 HydrophobicContact CB-CE 4.08Å; F115-M123 HydrophobicContact CB-CG 4.47Å; F115-M123 HydrophobicContact CB-SD 3.64Å; F115-M123 HydrophobicContact CD1-CE 4.19Å; F115-M123 HydrophobicContact CD2-CE 3.25Å; F115-M123 HydrophobicContact CD2-SD 4.01Å; F115-M123 HydrophobicContact CE1-CE 4.46Å; F115-M123 HydrophobicContact CE2-CE 3.59Å; F115-M123 HydrophobicContact CG-CE 3.58Å; F115-M123 HydrophobicContact CG-SD 3.84Å; F115-M123 HydrophobicContact CZ-CE 4.18Å; F115-S320 WeakPolarHBondContact CZ-OG 3.45Å; F115-P323 HydrophobicContact CE2-CG 4.45Å; F115-P323 HydrophobicContact CZ-CG 4.01Å; F115-L331 HydrophobicContact CE1-CB 4.26Å
116Y98Very high97.8Very high50 Ų5044.7 Ų44.720%0.19621%0.21CC..Hα-helixtrans-65.6-40.9176.3-177.1-96.9000112.3M112 Q113 D118 N119 L121 F156 H160 F163M112-Y116 WeakPolarHBondContact O-CB 3.49Å; M112-Y116 PolarHBondContact O-N 2.94Å; Q113-Y116 PolarHBondContact O-N 3.34Å; Y116-D118 PolarHBondContact O-N 3.45Å; Y116-N119 WeakPolarHBondContact O-CA 3.47Å; Y116-N119 PolarHBondContact O-N 3.29Å; Y116-L121 HydrophobicContact CD2-CD2 3.89Å; Y116-L121 HydrophobicContact CE2-CD2 3.61Å; Y116-F156 HydrophobicContact CD2-CE1 4.39Å; Y116-F156 HydrophobicContact CG-CE1 4.18Å; Y116-F156 HydrophobicContact CG-CZ 4.14Å; Y116-H160 AromaticContact CD1-CD2 3.57Å; Y116-H160 HydrophobicContact CE1-CB 4.39Å; Y116-H160 AromaticContact CE1-CD2 3.36Å; Y116-H160 WeakPolarHBondContact CE1-CD2 3.48Å; Y116-H160 HydrophobicContact CE2-CB 4.14Å; Y116-H160 AromaticContact CZ-CD2 3.9Å; Y116-F163 HydrophobicContact CD2-CB 4.07Å; Y116-F163 AromaticContact CD2-CD2 3.9Å; Y116-F163 HydrophobicContact CD2-CD2 3.9Å; Y116-F163 HydrophobicContact CD2-CG 4.38Å; Y116-F163 HydrophobicContact CE2-CB 4.14Å
117E97.2Very high97.8Very high101 Ų10141.9 Ų41.947%0.47220%0.195SC..Hα-helixtrans-57.9-27.5171.3-75.9170.6-175.900112.3Q113 N119 K329Q113-E117 WeakPolarHBondContact O-CB 3.35Å; Q113-E117 VanDerWaalsContact O-CG 3.28Å; Q113-E117 WeakPolarHBondContact O-CG 3.4Å; Q113-E117 PolarHBondContact O-N 2.97Å; E117-N119 VanDerWaalsContact C-N 3.3Å; E117-K329 IonicContact OE2-NZ 2.83Å; E117-K329 PolarHBondContact OE2-NZ 3.49Å
118D97.4Very high97.7Very high35 Ų3542.6 Ų42.619%0.18720%0.198CC..THydrogen-bonded Turntrans-9318.9174.8-16136.5000113.2E114 F115 Y116 V120 G330 L331 S332E114-D118 PolarHBondContact O-N 3.36Å; F115-D118 CarbonylContact O-C 3.57Å; F115-D118 WeakPolarHBondContact O-CA 3.35Å; F115-D118 WeakPolarHBondContact O-CB 3.46Å; F115-D118 PolarHBondContact O-N 2.9Å; F115-D118 VanDerWaalsContact O-N 3.08Å; Y116-D118 PolarHBondContact O-N 3.45Å; D118-V120 PolarHBondContact O-N 3.33Å; D118-G330 WeakPolarHBondContact OD2-CA 3.39Å; D118-L331 PolarHBondContact OD2-N 3.46Å; D118-S332 WeakPolarHBondContact OD1-CB 3.36Å; D118-S332 PolarHBondContact OD1-OG 3.42Å; D118-S332 WeakPolarHBondContact OD2-CB 3.28Å; D118-S332 PolarHBondContact OD2-N 2.76Å; D118-S332 PolarHBondContact OD2-OG 2.84Å
119N96.3Very high97.6Very high108 Ų10842.9 Ų42.958%0.57820%0.199SC*.THydrogen-bonded Turntrans62.619.2179.3-63-79.1000115.9F115 Y116 E117 R380F115-N119 PolarHBondContact O-N 2.81Å; Y116-N119 WeakPolarHBondContact O-CA 3.47Å; Y116-N119 PolarHBondContact O-N 3.29Å; E117-N119 VanDerWaalsContact C-N 3.3Å; N119-R380 PolarHBondContact OD1-NH2 2.88Å
120V97.8Very high97.4Very high23 Ų2342.4 Ų42.414%0.13920%0.199CC..  trans-82.6118.7170.3177.50000109.3F115 D118 Y122 M123 L331F115-V120 HydrophobicContact CB-CB 4.05Å; F115-V120 HydrophobicContact CB-CG1 4.4Å; F115-V120 HydrophobicContact CD1-CB 4.1Å; F115-V120 HydrophobicContact CD1-CG1 4.17Å; F115-V120 HydrophobicContact CD1-CG2 4Å; F115-V120 WeakPolarHBondContact O-CB 3.28Å; F115-V120 PolarHBondContact O-N 3.31Å; D118-V120 PolarHBondContact O-N 3.33Å; V120-Y122 VanDerWaalsContact CG1-O 3.25Å; V120-Y122 WeakPolarHBondContact CG1-O 3.47Å; V120-M123 HydrophobicContact CG1-CG 4.09Å; V120-L331 HydrophobicContact CG2-CB 3.83Å; V120-L331 HydrophobicContact CG2-CD2 3.96Å
121L97.3Very high97.4Very high9 Ų941.3 Ų41.35%0.04720%0.204CC..  trans-100-5.2-174.3-58.8179.7000113.7Y116 E162 F163 I164 F373 I376Y116-L121 HydrophobicContact CD2-CD2 3.89Å; Y116-L121 HydrophobicContact CE2-CD2 3.61Å; L121-E162 HydrophobicContact CD2-CB 4.4Å; L121-F163 VanDerWaalsContact O-CD2 3.31Å; L121-F163 WeakPolarHBondContact O-CD2 3.05Å; L121-I164 HydrophobicContact CB-CG1 4.36Å; L121-I164 VanDerWaalsContact O-CB 3.31Å; L121-I164 WeakPolarHBondContact O-CB 3.34Å; L121-I164 WeakPolarHBondContact O-CG1 3.15Å; L121-I164 PolarHBondContact O-N 3.22Å; L121-F373 HydrophobicContact CB-CE2 3.73Å; L121-F373 HydrophobicContact CB-CZ 3.8Å; L121-F373 HydrophobicContact CD1-CE2 4.02Å; L121-F373 HydrophobicContact CG-CE2 4.46Å; L121-I376 HydrophobicContact CD1-CG2 4.35Å
122Y98.3Very high97.4Very high26 Ų2639.7 Ų39.710%0.10219%0.193CC..EExtended strand (participates in β ladder)trans-154142-179.3174.3-109.6000110.1V120 E124 I164 G165 K167 T364 L365 F373V120-Y122 VanDerWaalsContact CG1-O 3.25Å; V120-Y122 WeakPolarHBondContact CG1-O 3.47Å; Y122-E124 HydrophobicContact CE1-CG 3.5Å; Y122-E124 VanDerWaalsContact CE1-OE1 3.28Å; Y122-E124 WeakPolarHBondContact CE1-OE1 3.24Å; Y122-E124 VanDerWaalsContact OH-CG 3.27Å; Y122-E124 WeakPolarHBondContact OH-CG 3.28Å; Y122-E124 PolarHBondContact OH-OE1 3.19Å; Y122-I164 HydrophobicContact CD2-CB 4.34Å; Y122-I164 HydrophobicContact CD2-CG2 4.17Å; Y122-G165 WeakPolarHBondContact CA-O 3.4Å; Y122-G165 VanDerWaalsContact CD2-O 3.26Å; Y122-G165 WeakPolarHBondContact CD2-O 3.48Å; Y122-K167 HydrophobicContact CE2-CG 4.25Å; Y122-K167 WeakPolarHBondContact OH-CD 3.47Å; Y122-K167 WeakPolarHBondContact OH-CG 3.39Å; Y122-T364 PolarHBondContact OH-OG1 3.34Å; Y122-L365 HydrophobicContact CD1-CD1 4.27Å; Y122-L365 HydrophobicContact CD1-CG 4.46Å; Y122-L365 HydrophobicContact CD2-CD1 4.33Å; Y122-L365 HydrophobicContact CD2-CD2 4Å; Y122-L365 HydrophobicContact CD2-CG 4.33Å; Y122-L365 HydrophobicContact CE1-CD1 4.33Å; Y122-L365 HydrophobicContact CE1-CG 4.04Å; Y122-L365 HydrophobicContact CE2-CD1 4.39Å; Y122-L365 HydrophobicContact CE2-CD2 3.49Å; Y122-L365 VanDerWaalsContact CE2-CD2 3.49Å; Y122-L365 HydrophobicContact CE2-CG 3.9Å; Y122-L365 HydrophobicContact CG-CD1 4.26Å; Y122-F373 HydrophobicContact CG-CE1 4.39Å
123M98.1Very high97.4Very high19 Ų1940.5 Ų40.59%0.09420%0.196CC..EExtended strand (participates in β ladder)trans-135140.5-178.8-56.3172.165.800112.1M112 F115 V120 I125 F163 G165 I166 K167M112-M123 HydrophobicContact CG-SD 4.23Å; F115-M123 HydrophobicContact CB-CE 4.08Å; F115-M123 HydrophobicContact CB-CG 4.47Å; F115-M123 HydrophobicContact CB-SD 3.64Å; F115-M123 HydrophobicContact CD1-CE 4.19Å; F115-M123 HydrophobicContact CD2-CE 3.25Å; F115-M123 HydrophobicContact CD2-SD 4.01Å; F115-M123 HydrophobicContact CE1-CE 4.46Å; F115-M123 HydrophobicContact CE2-CE 3.59Å; F115-M123 HydrophobicContact CG-CE 3.58Å; F115-M123 HydrophobicContact CG-SD 3.84Å; F115-M123 HydrophobicContact CZ-CE 4.18Å; V120-M123 HydrophobicContact CG1-CG 4.09Å; M123-I125 HydrophobicContact CB-CG1 4.31Å; M123-I125 HydrophobicContact CE-CD1 4.47Å; M123-I125 HydrophobicContact CE-CG1 4.43Å; M123-F163 HydrophobicContact CG-CZ 4.41Å; M123-F163 HydrophobicContact SD-CZ 4.32Å; M123-G165 PolarHBondContact N-O 2.81Å; M123-I166 HydrophobicContact CB-CG2 4.09Å; M123-I166 CarbonylContact O-C 3.6Å; M123-I166 WeakPolarHBondContact O-CA 3.36Å; M123-K167 PolarHBondContact O-N 2.93Å
124E98.7Very high97.5Very high40 Ų4040.6 Ų40.619%0.18720%0.197CC..EExtended strand (participates in β ladder)trans-113.4108.4166.4-62.7-173.7179.500108.4Y122 K167 I169 R261 T364Y122-E124 HydrophobicContact CE1-CG 3.5Å; Y122-E124 VanDerWaalsContact CE1-OE1 3.28Å; Y122-E124 WeakPolarHBondContact CE1-OE1 3.24Å; Y122-E124 VanDerWaalsContact OH-CG 3.27Å; Y122-E124 WeakPolarHBondContact OH-CG 3.28Å; Y122-E124 PolarHBondContact OH-OE1 3.19Å; E124-K167 CarbonylContact C-O 3.51Å; E124-K167 WeakPolarHBondContact CA-O 3.27Å; E124-K167 HydrophobicContact CG-CB 4.41Å; E124-I169 HydrophobicContact CB-CD1 4.22Å; E124-R261 IonicContact OE1-NH1 3.51Å; E124-R261 IonicContact OE2-CZ 3.44Å; E124-R261 IonicContact OE2-NH1 3.68Å; E124-R261 PolarHBondContact OE2-NH1 3.46Å; E124-R261 IonicContact OE2-NH2 2.78Å; E124-R261 PolarHBondContact OE2-NH2 3.28Å; E124-T364 WeakPolarHBondContact OE1-CB 3.31Å; E124-T364 WeakPolarHBondContact OE1-CG2 3.32Å; E124-T364 PolarHBondContact OE1-N 3.03Å; E124-T364 PolarHBondContact OE1-OG1 3.25Å; E124-T364 WeakPolarHBondContact OE2-CG2 3.37Å
125I98.3Very high97.5Very high33 Ų3341 Ų4117%0.16920%0.2CC..EExtended strand (participates in β ladder)trans-96.7119.8-172-54.4176000108.5M123 Y149 I166 K167 I168 I169M123-I125 HydrophobicContact CB-CG1 4.31Å; M123-I125 HydrophobicContact CE-CD1 4.47Å; M123-I125 HydrophobicContact CE-CG1 4.43Å; I125-Y149 HydrophobicContact CD1-CE1 4.27Å; I125-I166 HydrophobicContact CD1-CD1 4.15Å; I125-I166 HydrophobicContact CD1-CG2 4.45Å; I125-K167 PolarHBondContact N-O 3.08Å; I125-I168 HydrophobicContact CB-CD1 3.98Å; I125-I168 HydrophobicContact CD1-CD1 4.49Å; I125-I168 CarbonylContact O-C 3.58Å; I125-I168 WeakPolarHBondContact O-CA 3.2Å; I125-I169 PolarHBondContact O-N 3.1Å
126R98.6Very high97.3Very high55 Ų5544.2 Ų44.221%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-75.6119.9168.1-63.9177.5-174.1-117-1.5108.4I169 D203 F234 H236 E286R126-I169 WeakPolarHBondContact CA-O 3.47Å; R126-I169 HydrophobicContact CG-CB 4.16Å; R126-I169 HydrophobicContact CG-CD1 4.23Å; R126-I169 HydrophobicContact CG-CG2 4.44Å; R126-D203 IonicContact CZ-OD2 3.8Å; R126-D203 IonicContact NH1-OD1 3.62Å; R126-D203 PolarHBondContact NH1-OD1 3.02Å; R126-D203 IonicContact NH1-OD2 2.72Å; R126-D203 PolarHBondContact NH1-OD2 3.47Å; R126-F234 PolarHBondContact NH1-O 2.91Å; R126-F234 PolarHBondContact NH2-O 2.68Å; R126-F234 VanDerWaalsContact NH2-O 3.08Å; R126-H236 PolarHBondContact NH1-CE1 2.77Å; R126-H236 PolarHBondContact NH1-ND1 2.9Å; R126-E286 IonicContact CZ-OE2 3.38Å; R126-E286 IonicContact NE-OE2 3.34Å; R126-E286 IonicContact NH2-OE1 3.41Å; R126-E286 PolarHBondContact NH2-OE1 3.06Å; R126-E286 VanDerWaalsContact NH2-OE1 3.14Å; R126-E286 IonicContact NH2-OE2 3.69Å; R126-E286 PolarHBondContact NH2-OE2 3.33Å
127A97.3Very high97Very high7 Ų743.2 Ų43.26%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-137.4130.1-173.300000111.9L129 Y149 I168 I169 Y170 S171A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 HydrophobicContact CB-CD2 3.95Å; A127-L129 HydrophobicContact CB-CG 4.39Å; A127-L129 PolarHBondContact O-N 2.82Å; A127-Y149 HydrophobicContact CB-CE2 4.48Å; A127-I168 HydrophobicContact CB-CG2 3.91Å; A127-I169 PolarHBondContact N-O 2.96Å; A127-Y170 WeakPolarHBondContact O-CD2 3.42Å; A127-S171 PolarHBondContact O-N 2.63Å
128R95.9Very high97Very high81 Ų8144.2 Ų44.231%0.30624%0.235SC..  trans-78.3-7.5174-63.4-166.3-64.6179.4-5.2114.7L130 S171 V205R128-L130 HydrophobicContact CB-CD2 4.19Å; R128-L130 HydrophobicContact CB-CG 4.24Å; R128-L130 PolarHBondContact O-N 2.73Å; R128-L130 VanDerWaalsContact O-N 3.17Å; R128-S171 VanDerWaalsContact CA-O 3.28Å; R128-S171 WeakPolarHBondContact CA-O 3.3Å; R128-V205 HydrophobicContact CG-CG2 4.39Å
129L96.4Very high97Very high10 Ų1047.8 Ų47.85%0.05225%0.25CS..  trans46.545.9180-55.3179.3000113A127 E142 V146 Y149 I168 Y170 L191A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 HydrophobicContact CB-CD2 3.95Å; A127-L129 HydrophobicContact CB-CG 4.39Å; A127-L129 PolarHBondContact O-N 2.82Å; L129-E142 HydrophobicContact CB-CB 4.19Å; L129-E142 HydrophobicContact CB-CG 3.95Å; L129-E142 HydrophobicContact CD1-CB 4.11Å; L129-V146 HydrophobicContact CD1-CG2 3.62Å; L129-V146 HydrophobicContact CD2-CG2 4.35Å; L129-Y149 HydrophobicContact CD2-CD2 4.27Å; L129-Y149 HydrophobicContact CD2-CE2 3.88Å; L129-I168 HydrophobicContact CD2-CG2 4.49Å; L129-Y170 HydrophobicContact CB-CD2 4.28Å; L129-Y170 HydrophobicContact CB-CE2 4.17Å; L129-Y170 HydrophobicContact CD1-CD2 3.6Å; L129-Y170 HydrophobicContact CD1-CE2 4.14Å; L129-Y170 HydrophobicContact CD1-CG 4.39Å; L129-Y170 HydrophobicContact CG-CD2 3.86Å; L129-Y170 HydrophobicContact CG-CE2 4.26Å; L129-L191 HydrophobicContact CD1-CD1 3.72Å
130L95.3Very high97.1Very high52 Ų5244.2 Ų44.227%0.27223%0.23SC..PPolyproline II helixtrans-61151.2178.5-57.2177.5000110.4R128 V132R128-L130 HydrophobicContact CB-CD2 4.19Å; R128-L130 HydrophobicContact CB-CG 4.24Å; R128-L130 PolarHBondContact O-N 2.73Å; R128-L130 VanDerWaalsContact O-N 3.17Å; L130-V132 PolarHBondContact O-N 2.7Å
131P95.9Very high97.1Very high72 Ų7247.1 Ų47.147%0.46825%0.245SC..PPolyproline II helixtrans-53.5124-177.2-28.334.9000112.7
132V98.3Very high97.1Very high0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-89.6138.6174.9177.60000108.5H99 A101 F104 L130 H139 H140 W144H99-V132 CarbonylContact O-C 3.51Å; H99-V132 WeakPolarHBondContact O-CA 3.46Å; H99-V132 WeakPolarHBondContact O-CG1 3.4Å; A101-V132 HydrophobicContact CB-CG1 3.7Å; F104-V132 HydrophobicContact CB-CG1 4.23Å; F104-V132 HydrophobicContact CD1-CG2 4.27Å; F104-V132 HydrophobicContact CD2-CG2 3.99Å; F104-V132 HydrophobicContact CE1-CG2 4.43Å; F104-V132 HydrophobicContact CE2-CG2 4.16Å; F104-V132 HydrophobicContact CG-CG1 4.4Å; F104-V132 HydrophobicContact CG-CG2 4.04Å; F104-V132 HydrophobicContact CZ-CG2 4.37Å; L130-V132 PolarHBondContact O-N 2.7Å; V132-H139 CarbonylContact O-C 3.52Å; V132-H139 WeakPolarHBondContact O-CA 3.28Å; V132-H140 HydrophobicContact CB-CB 4.49Å; V132-H140 PolarHBondContact N-O 3.29Å; V132-H140 PolarHBondContact O-N 2.99Å; V132-W144 HydrophobicContact CB-CE3 4.16Å; V132-W144 HydrophobicContact CB-CH2 4.41Å; V132-W144 HydrophobicContact CB-CZ3 3.75Å; V132-W144 HydrophobicContact CG1-CE3 4.38Å; V132-W144 HydrophobicContact CG1-CH2 3.75Å; V132-W144 HydrophobicContact CG1-CZ3 3.53Å; V132-W144 HydrophobicContact CG2-CE3 4.44Å; V132-W144 HydrophobicContact CG2-CZ3 3.99Å
133Y98.2Very high97.1Very high16 Ų1650.8 Ų50.86%0.06326%0.262CS..EExtended strand (participates in β ladder)trans-123.2150.7-173.871.4-88.4000112.9R27 F28 G96 H99 Y100 A101 E138R27-Y133 HydrophobicContact CG-CE2 4.45Å; F28-Y133 HydrophobicContact CB-CE2 4.21Å; F28-Y133 PolarHBondContact N-OH 3.44Å; F28-Y133 WeakPolarHBondContact O-CE2 3.48Å; G96-Y133 PolarHBondContact O-OH 2.7Å; H99-Y133 HydrophobicContact CB-CD1 4.29Å; H99-Y133 HydrophobicContact CB-CE1 4.34Å; H99-Y133 WeakPolarHBondContact O-CD1 3.35Å; H99-Y133 WeakPolarHBondContact O-CE1 3.27Å; H99-Y133 PolarHBondContact O-N 3.43Å; Y100-Y133 WeakPolarHBondContact CA-O 3.36Å; Y100-Y133 HydrophobicContact CD2-CD2 4.4Å; Y100-Y133 HydrophobicContact CD2-CE2 4.06Å; Y100-Y133 WeakPolarHBondContact CD2-O 3.29Å; Y100-Y133 HydrophobicContact CG-CE2 4.46Å; A101-Y133 PolarHBondContact N-O 3.06Å; Y133-E138 CarbonylContact C-O 3.58Å; Y133-E138 WeakPolarHBondContact CA-O 3.5Å
134E98.2Very high97.1Very high48 Ų4852.1 Ų52.122%0.22427%0.267CS..  trans-92166.3174.2-65.4-63170.200111.7A101 S136 G137 E138 H140A101-E134 VanDerWaalsContact CB-OE1 3.29Å; A101-E134 WeakPolarHBondContact CB-OE1 3.3Å; E134-S136 PolarHBondContact O-N 3.07Å; E134-S136 VanDerWaalsContact O-N 3.15Å; E134-G137 WeakPolarHBondContact O-CA 3.47Å; E134-G137 PolarHBondContact O-N 3.41Å; E134-E138 HydrophobicContact CB-CB 4.39Å; E134-E138 PolarHBondContact N-O 2.93Å; E134-H140 WeakPolarHBondContact CG-NE2 3.4Å; E134-H140 IonicContact OE1-CD2 2.75Å; E134-H140 IonicContact OE1-CE1 3.37Å; E134-H140 IonicContact OE1-NE2 2.56Å; E134-H140 PolarHBondContact OE1-NE2 3.33Å
135L97.4Very high97.1Very high50 Ų5050.2 Ų50.226%0.26226%0.258SS..THydrogen-bonded Turntrans-60.7-28.8179.1-169.169.4000112.1H13 F28 H30 Y100 G137H13-L135 HydrophobicContact CB-CD1 3.9Å; F28-L135 HydrophobicContact CB-CD1 4.13Å; H30-L135 HydrophobicContact CB-CD2 4.23Å; H30-L135 HydrophobicContact CB-CG 4.39Å; Y100-L135 HydrophobicContact CE2-CB 4Å; Y100-L135 HydrophobicContact CE2-CD1 4.42Å; L135-G137 PolarHBondContact O-N 2.92Å
136S93.8Very high97.1Very high94 Ų9448.7 Ų48.766%0.65725%0.25SC*.THydrogen-bonded Turntrans-66.3-18.4173.758.20000113.5E134 E138E134-S136 PolarHBondContact O-N 3.07Å; E134-S136 VanDerWaalsContact O-N 3.15Å; S136-E138 PolarHBondContact OG-N 2.97Å
137G93.1Very high97.1Very high28 Ų2851.2 Ų51.229%0.28926%0.262SS..SBendtrans88.63.1-171.800000114.5E134 L135 H139E134-G137 WeakPolarHBondContact O-CA 3.47Å; E134-G137 PolarHBondContact O-N 3.41Å; L135-G137 PolarHBondContact O-N 2.92Å; G137-H139 PolarHBondContact O-CD2 3.37Å
138E96.4Very high97.2Very high122 Ų12251 Ų5157%0.5726%0.26SS*.  trans-62.8144.5167.2-176.6178.3177.900110.3Y133 E134 S136Y133-E138 CarbonylContact C-O 3.58Å; Y133-E138 WeakPolarHBondContact CA-O 3.5Å; E134-E138 HydrophobicContact CB-CB 4.39Å; E134-E138 PolarHBondContact N-O 2.93Å; S136-E138 PolarHBondContact OG-N 2.97Å
139H97.5Very high97.3Very high110 Ų11048.2 Ų48.251%0.50925%0.25SC..EExtended strand (participates in β ladder)trans-116.3142.2-179.3-74.6-94.4000110.9V132 G137V132-H139 CarbonylContact O-C 3.52Å; V132-H139 WeakPolarHBondContact O-CA 3.28Å; G137-H139 PolarHBondContact O-CD2 3.37Å
140H98.3Very high97.4Very high33 Ų3350.3 Ų50.315%0.15326%0.259CS..EExtended strand (participates in β ladder)trans-105149.4174.3-61.5-60.6000110.5V132 E134 W144V132-H140 HydrophobicContact CB-CB 4.49Å; V132-H140 PolarHBondContact N-O 3.29Å; V132-H140 PolarHBondContact O-N 2.99Å; E134-H140 WeakPolarHBondContact CG-NE2 3.4Å; E134-H140 IonicContact OE1-CD2 2.75Å; E134-H140 IonicContact OE1-CE1 3.37Å; E134-H140 IonicContact OE1-NE2 2.56Å; E134-H140 PolarHBondContact OE1-NE2 3.33Å; H140-W144 HydrophobicContact CB-CB 3.78Å; H140-W144 HydrophobicContact CB-CD2 3.55Å; H140-W144 HydrophobicContact CB-CE3 3.83Å; H140-W144 HydrophobicContact CB-CG 3.53Å; H140-W144 AromaticContact CD2-CD2 3.86Å; H140-W144 AromaticContact CD2-CE2 3.47Å; H140-W144 VanDerWaalsContact CD2-CE2 3.47Å; H140-W144 AromaticContact CD2-CZ2 3.56Å; H140-W144 AromaticContact CD2-NE1 3.75Å; H140-W144 AromaticContact CE1-CD1 3.99Å; H140-W144 AromaticContact CE1-NE1 3.56Å; H140-W144 AromaticContact CG-CD1 3.67Å; H140-W144 AromaticContact CG-CD2 3.59Å; H140-W144 AromaticContact CG-CE2 3.57Å; H140-W144 AromaticContact CG-CG 3.67Å; H140-W144 AromaticContact CG-NE1 3.59Å; H140-W144 AromaticContact ND1-CD1 3.44Å; H140-W144 AromaticContact ND1-CE2 3.95Å; H140-W144 AromaticContact ND1-CG 3.89Å; H140-W144 AromaticContact ND1-NE1 3.46Å; H140-W144 PolarHBondContact ND1-NE1 3.2Å; H140-W144 AromaticContact NE2-CE2 3.77Å; H140-W144 AromaticContact NE2-CZ2 3.82Å; H140-W144 AromaticContact NE2-NE1 3.7Å
141D97Very high97.5Very high84 Ų8451.7 Ų51.745%0.44926%0.264SS..  trans-86.5-176.5-178.564.712.8000113.1E143 W144 S145D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 2.8Å; D141-E143 PolarHBondContact OD1-N 3.05Å; D141-W144 PolarHBondContact O-N 3.02Å; D141-W144 WeakPolarHBondContact OD1-CB 3.25Å; D141-W144 PolarHBondContact OD1-N 3.25Å; D141-S145 PolarHBondContact O-N 2.87Å; D141-S145 PolarHBondContact O-OG 2.75Å; D141-S145 VanDerWaalsContact O-OG 3.07Å
142E97.9Very high97.7Very high52 Ų5249 Ų4924%0.24325%0.246CC..Hα-helixtrans-63.9-35.5178.9-63.383.3171.700111.9L129 S145 V146 M187 L191L129-E142 HydrophobicContact CB-CB 4.19Å; L129-E142 HydrophobicContact CB-CG 3.95Å; L129-E142 HydrophobicContact CD1-CB 4.11Å; E142-S145 WeakPolarHBondContact O-CB 3.35Å; E142-S145 PolarHBondContact O-N 3.47Å; E142-V146 WeakPolarHBondContact O-CG2 3.28Å; E142-V146 PolarHBondContact O-N 3.18Å; E142-M187 HydrophobicContact CB-SD 4.41Å; E142-L191 HydrophobicContact CB-CD1 4.21Å; E142-L191 HydrophobicContact CB-CD2 4.4Å
143E98.2Very high97.7Very high60 Ų6049.4 Ų49.428%0.2825%0.25SC..Hα-helixtrans-65.9-44.5179.4-69.6-176-157.900111.6D141 S145 V146 K147 L191 K194 F195D141-E143 VanDerWaalsContact C-N 3.3Å; D141-E143 PolarHBondContact O-N 2.8Å; D141-E143 PolarHBondContact OD1-N 3.05Å; E143-S145 PolarHBondContact O-N 3.43Å; E143-V146 PolarHBondContact O-N 3.19Å; E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 PolarHBondContact O-N 3.38Å; E143-L191 HydrophobicContact CG-CD2 3.7Å; E143-K194 HydrophobicContact CG-CD 4.44Å; E143-K194 WeakPolarHBondContact OE1-CD 3.13Å; E143-K194 WeakPolarHBondContact OE1-CE 3.44Å; E143-K194 IonicContact OE1-NZ 2.68Å; E143-K194 PolarHBondContact OE1-NZ 2.91Å; E143-K194 WeakPolarHBondContact OE2-CD 3.35Å; E143-K194 IonicContact OE2-NZ 3.49Å; E143-K194 PolarHBondContact OE2-NZ 3.3Å; E143-F195 HydrophobicContact CB-CE2 4.28Å; E143-F195 HydrophobicContact CG-CE2 4.25Å
144W98.4Very high97.6Very high48 Ų4853.6 Ų53.618%0.18227%0.27CS..Hα-helixtrans-58.4-40.1172.4-177.3104.9000111.5A101 F104 V132 H140 D141 K147 T148A101-W144 HydrophobicContact CB-CH2 3.83Å; A101-W144 HydrophobicContact CB-CZ2 4.15Å; F104-W144 HydrophobicContact CD1-CH2 4.49Å; F104-W144 AromaticContact CD1-CZ3 3.99Å; F104-W144 HydrophobicContact CD1-CZ3 3.99Å; F104-W144 HydrophobicContact CE1-CZ3 4.23Å; V132-W144 HydrophobicContact CB-CE3 4.16Å; V132-W144 HydrophobicContact CB-CH2 4.41Å; V132-W144 HydrophobicContact CB-CZ3 3.75Å; V132-W144 HydrophobicContact CG1-CE3 4.38Å; V132-W144 HydrophobicContact CG1-CH2 3.75Å; V132-W144 HydrophobicContact CG1-CZ3 3.53Å; V132-W144 HydrophobicContact CG2-CE3 4.44Å; V132-W144 HydrophobicContact CG2-CZ3 3.99Å; H140-W144 HydrophobicContact CB-CB 3.78Å; H140-W144 HydrophobicContact CB-CD2 3.55Å; H140-W144 HydrophobicContact CB-CE3 3.83Å; H140-W144 HydrophobicContact CB-CG 3.53Å; H140-W144 AromaticContact CD2-CD2 3.86Å; H140-W144 AromaticContact CD2-CE2 3.47Å; H140-W144 VanDerWaalsContact CD2-CE2 3.47Å; H140-W144 AromaticContact CD2-CZ2 3.56Å; H140-W144 AromaticContact CD2-NE1 3.75Å; H140-W144 AromaticContact CE1-CD1 3.99Å; H140-W144 AromaticContact CE1-NE1 3.56Å; H140-W144 AromaticContact CG-CD1 3.67Å; H140-W144 AromaticContact CG-CD2 3.59Å; H140-W144 AromaticContact CG-CE2 3.57Å; H140-W144 AromaticContact CG-CG 3.67Å; H140-W144 AromaticContact CG-NE1 3.59Å; H140-W144 AromaticContact ND1-CD1 3.44Å; H140-W144 AromaticContact ND1-CE2 3.95Å; H140-W144 AromaticContact ND1-CG 3.89Å; H140-W144 AromaticContact ND1-NE1 3.46Å; H140-W144 PolarHBondContact ND1-NE1 3.2Å; H140-W144 AromaticContact NE2-CE2 3.77Å; H140-W144 AromaticContact NE2-CZ2 3.82Å; H140-W144 AromaticContact NE2-NE1 3.7Å; D141-W144 PolarHBondContact O-N 3.02Å; D141-W144 WeakPolarHBondContact OD1-CB 3.25Å; D141-W144 PolarHBondContact OD1-N 3.25Å; W144-K147 PolarHBondContact O-N 3.07Å; W144-T148 HydrophobicContact CH2-CG2 4.22Å; W144-T148 WeakPolarHBondContact CH2-OG1 3.38Å; W144-T148 HydrophobicContact CZ3-CG2 4.17Å; W144-T148 VanDerWaalsContact CZ3-OG1 3.29Å; W144-T148 WeakPolarHBondContact CZ3-OG1 3.3Å; W144-T148 WeakPolarHBondContact O-CB 3.29Å; W144-T148 PolarHBondContact O-N 2.86Å; W144-T148 PolarHBondContact O-OG1 3.27Å
145S98.4Very high97.6Very high0 Ų057.7 Ų57.70%029%0.287CS..Hα-helixtrans-65.8-46.3-179.9-61.20000111.5D141 E142 E143 K147 T148 Y149D141-S145 PolarHBondContact O-N 2.87Å; D141-S145 PolarHBondContact O-OG 2.75Å; D141-S145 VanDerWaalsContact O-OG 3.07Å; E142-S145 WeakPolarHBondContact O-CB 3.35Å; E142-S145 PolarHBondContact O-N 3.47Å; E143-S145 PolarHBondContact O-N 3.43Å; S145-K147 PolarHBondContact O-N 2.99Å; S145-T148 PolarHBondContact O-N 2.9Å; S145-Y149 VanDerWaalsContact O-CD2 3.24Å; S145-Y149 WeakPolarHBondContact O-CD2 3.49Å; S145-Y149 PolarHBondContact O-N 2.92Å
146V98.7Very high97.7Very high0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-61.3-44175.1174.20000111.3L129 E142 E143 T148 Y149 Q150 L191 F195 V198 V199L129-V146 HydrophobicContact CD1-CG2 3.62Å; L129-V146 HydrophobicContact CD2-CG2 4.35Å; E142-V146 WeakPolarHBondContact O-CG2 3.28Å; E142-V146 PolarHBondContact O-N 3.18Å; E143-V146 PolarHBondContact O-N 3.19Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.07Å; V146-Y149 WeakPolarHBondContact O-CB 3.48Å; V146-Y149 PolarHBondContact O-N 3.27Å; V146-Q150 PolarHBondContact O-N 3.38Å; V146-L191 HydrophobicContact CG2-CD1 4.37Å; V146-L191 HydrophobicContact CG2-CD2 4.24Å; V146-F195 HydrophobicContact CB-CD2 4.2Å; V146-F195 HydrophobicContact CB-CE2 4.25Å; V146-F195 HydrophobicContact CG1-CB 3.87Å; V146-F195 HydrophobicContact CG1-CD1 3.95Å; V146-F195 HydrophobicContact CG1-CD2 3.64Å; V146-F195 HydrophobicContact CG1-CE1 4.38Å; V146-F195 HydrophobicContact CG1-CE2 4.11Å; V146-F195 HydrophobicContact CG1-CG 3.55Å; V146-F195 HydrophobicContact CG1-CZ 4.46Å; V146-V198 HydrophobicContact CG1-CB 4.44Å; V146-V198 HydrophobicContact CG1-CG1 4.02Å; V146-V199 HydrophobicContact CG1-CG2 3.76Å; V146-V199 HydrophobicContact CG2-CG2 4.08Å
147K98.5Very high97.8Very high108 Ų10853.2 Ų53.247%0.4726%0.258SS..Hα-helixtrans-60.6-41.5176.1-170.9-177.5-176.8-163.30111.5E143 W144 S145 Q150 E151 F195E143-K147 WeakPolarHBondContact O-CB 3.38Å; E143-K147 PolarHBondContact O-N 3.38Å; W144-K147 PolarHBondContact O-N 3.07Å; S145-K147 PolarHBondContact O-N 2.99Å; K147-Q150 WeakPolarHBondContact O-CB 3.41Å; K147-Q150 PolarHBondContact O-N 3.29Å; K147-E151 WeakPolarHBondContact CE-OE1 3.49Å; K147-E151 HydrophobicContact CG-CG 4.44Å; K147-E151 IonicContact NZ-OE1 3.19Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.19Å; K147-F195 HydrophobicContact CB-CE1 4.44Å
148T98.7Very high98Very high2 Ų259.2 Ų59.21%0.01228%0.278CS..Hα-helixtrans-65.4-42.2177.8-61.60000111.8F104 R105 W144 S145 V146 Q150 E151 V152F104-T148 HydrophobicContact CD1-CG2 3.79Å; F104-T148 HydrophobicContact CE1-CG2 3.8Å; R105-T148 HydrophobicContact CG-CG2 3.57Å; W144-T148 HydrophobicContact CH2-CG2 4.22Å; W144-T148 WeakPolarHBondContact CH2-OG1 3.38Å; W144-T148 HydrophobicContact CZ3-CG2 4.17Å; W144-T148 VanDerWaalsContact CZ3-OG1 3.29Å; W144-T148 WeakPolarHBondContact CZ3-OG1 3.3Å; W144-T148 WeakPolarHBondContact O-CB 3.29Å; W144-T148 PolarHBondContact O-N 2.86Å; W144-T148 PolarHBondContact O-OG1 3.27Å; S145-T148 PolarHBondContact O-N 2.9Å; V146-T148 VanDerWaalsContact C-N 3.3Å; V146-T148 PolarHBondContact O-N 3.07Å; T148-Q150 VanDerWaalsContact C-N 3.3Å; T148-Q150 PolarHBondContact O-N 3.45Å; T148-E151 PolarHBondContact O-N 3.1Å; T148-V152 HydrophobicContact CG2-CG2 4.23Å; T148-V152 WeakPolarHBondContact O-CB 3.28Å; T148-V152 VanDerWaalsContact O-CG2 3.24Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.5Å
149Y98.6Very high98Very high24 Ų2457.7 Ų57.79%0.09428%0.278CS..Hα-helixtrans-55.5-46.7170.9-85.9-71.7000111.6F104 V108 I125 A127 L129 S145 V146 A153 I166 I168F104-Y149 HydrophobicContact CE1-CE2 4.4Å; F104-Y149 HydrophobicContact CE2-CE2 4.31Å; F104-Y149 HydrophobicContact CZ-CD2 4.08Å; F104-Y149 AromaticContact CZ-CE2 3.53Å; F104-Y149 HydrophobicContact CZ-CE2 3.53Å; F104-Y149 AromaticContact CZ-CZ 3.82Å; V108-Y149 HydrophobicContact CB-CD1 4.3Å; V108-Y149 HydrophobicContact CB-CE1 4.21Å; V108-Y149 HydrophobicContact CG1-CD1 3.49Å; V108-Y149 VanDerWaalsContact CG1-CD1 3.49Å; V108-Y149 HydrophobicContact CG1-CE1 3.78Å; V108-Y149 HydrophobicContact CG2-CD1 3.75Å; V108-Y149 HydrophobicContact CG2-CE1 3.33Å; I125-Y149 HydrophobicContact CD1-CE1 4.27Å; A127-Y149 HydrophobicContact CB-CE2 4.48Å; L129-Y149 HydrophobicContact CD2-CD2 4.27Å; L129-Y149 HydrophobicContact CD2-CE2 3.88Å; S145-Y149 VanDerWaalsContact O-CD2 3.24Å; S145-Y149 WeakPolarHBondContact O-CD2 3.49Å; S145-Y149 PolarHBondContact O-N 2.92Å; V146-Y149 WeakPolarHBondContact O-CB 3.48Å; V146-Y149 PolarHBondContact O-N 3.27Å; Y149-A153 VanDerWaalsContact O-CB 3.25Å; Y149-A153 WeakPolarHBondContact O-CB 3.47Å; Y149-A153 PolarHBondContact O-N 2.84Å; Y149-I166 HydrophobicContact CD1-CD1 3.88Å; Y149-I166 HydrophobicContact CG-CD1 4.48Å; Y149-I168 HydrophobicContact CD1-CD1 3.76Å; Y149-I168 HydrophobicContact CD2-CD1 3.96Å; Y149-I168 HydrophobicContact CD2-CG1 4.29Å; Y149-I168 HydrophobicContact CE1-CD1 4.08Å; Y149-I168 HydrophobicContact CE2-CD1 4.28Å; Y149-I168 HydrophobicContact CG-CD1 3.71Å; Y149-I168 HydrophobicContact CG-CG1 4.24Å
150Q98.4Very high97.9Very high54 Ų5453.8 Ų53.825%0.25226%0.259SS..Hα-helixtrans-61.6-48.7179.3-176.6179.830.800112.3V146 K147 T148 A153 Q154 V198V146-Q150 PolarHBondContact O-N 3.38Å; K147-Q150 WeakPolarHBondContact O-CB 3.41Å; K147-Q150 PolarHBondContact O-N 3.29Å; T148-Q150 VanDerWaalsContact C-N 3.3Å; T148-Q150 PolarHBondContact O-N 3.45Å; Q150-A153 PolarHBondContact O-N 2.98Å; Q150-Q154 VanDerWaalsContact O-CG 3.29Å; Q150-Q154 WeakPolarHBondContact O-CG 3.26Å; Q150-Q154 PolarHBondContact O-N 3.29Å; Q150-V198 HydrophobicContact CB-CG2 4.17Å; Q150-V198 HydrophobicContact CG-CG2 3.97Å
151E98.4Very high97.6Very high80 Ų8057.8 Ų57.837%0.37429%0.288SS..Hα-helixtrans-62.4-45-180-72.6172.6178.500111.9K147 T148 Q154 K155K147-E151 WeakPolarHBondContact CE-OE1 3.49Å; K147-E151 HydrophobicContact CG-CG 4.44Å; K147-E151 IonicContact NZ-OE1 3.19Å; K147-E151 WeakPolarHBondContact O-CG 3.32Å; K147-E151 PolarHBondContact O-N 3.19Å; T148-E151 PolarHBondContact O-N 3.1Å; E151-Q154 PolarHBondContact O-N 2.95Å; E151-K155 PolarHBondContact O-N 2.99Å; E151-K155 VanDerWaalsContact O-N 3.08Å
152V98.6Very high97.3Very high15 Ų1557.5 Ų57.59%0.09128%0.284CS..Hα-helixtrans-66.1-39.9178.9178.60000110.6R105 V108 F109 M112 T148 K155 F156R105-V152 HydrophobicContact CB-CG2 4.19Å; R105-V152 HydrophobicContact CG-CG2 4.16Å; V108-V152 HydrophobicContact CB-CG1 4.24Å; V108-V152 HydrophobicContact CG1-CB 4.16Å; V108-V152 HydrophobicContact CG1-CG1 3.92Å; F109-V152 HydrophobicContact CB-CG1 3.69Å; F109-V152 HydrophobicContact CD2-CG1 4.12Å; F109-V152 HydrophobicContact CG-CG1 4.42Å; M112-V152 HydrophobicContact CE-CG1 3.72Å; T148-V152 HydrophobicContact CG2-CG2 4.23Å; T148-V152 WeakPolarHBondContact O-CB 3.28Å; T148-V152 VanDerWaalsContact O-CG2 3.24Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.5Å; V152-K155 PolarHBondContact O-N 3.17Å; V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3.32Å
153A98.3Very high97.3Very high9 Ų955.2 Ų55.27%0.07427%0.274CS..Hα-helixtrans-65.2-42.8175.700000112.6M112 Y149 Q150 K155 F156 V157 I166M112-A153 HydrophobicContact CE-CB 4.45Å; M112-A153 HydrophobicContact SD-CB 4Å; Y149-A153 VanDerWaalsContact O-CB 3.25Å; Y149-A153 WeakPolarHBondContact O-CB 3.47Å; Y149-A153 PolarHBondContact O-N 2.84Å; Q150-A153 PolarHBondContact O-N 2.98Å; A153-K155 PolarHBondContact O-N 3.18Å; A153-F156 WeakPolarHBondContact O-CB 3.46Å; A153-F156 PolarHBondContact O-N 3.09Å; A153-F156 VanDerWaalsContact O-N 3.16Å; A153-V157 WeakPolarHBondContact O-CG2 3.22Å; A153-V157 PolarHBondContact O-N 2.89Å; A153-I166 HydrophobicContact CB-CD1 3.86Å; A153-I166 HydrophobicContact CB-CG1 3.74Å
154Q97.6Very high97.2Very high105 Ų10555 Ų5549%0.49127%0.274SS..Hα-helixtrans-58-48175.4-76.2170.5-7.300111.2Q150 E151 F156 V157 E158Q150-Q154 VanDerWaalsContact O-CG 3.29Å; Q150-Q154 WeakPolarHBondContact O-CG 3.26Å; Q150-Q154 PolarHBondContact O-N 3.29Å; E151-Q154 PolarHBondContact O-N 2.95Å; Q154-F156 VanDerWaalsContact C-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.16Å; Q154-V157 PolarHBondContact O-N 3.05Å; Q154-E158 WeakPolarHBondContact O-CG 3.39Å; Q154-E158 PolarHBondContact O-N 2.97Å
155K97.8Very high97Very high133 Ų13353.1 Ų53.158%0.57827%0.27SS*.Hα-helixtrans-62.9-34.7176.1-174.1173.2177.8177.50113E151 V152 A153 T159E151-K155 PolarHBondContact O-N 2.99Å; E151-K155 VanDerWaalsContact O-N 3.08Å; V152-K155 PolarHBondContact O-N 3.17Å; A153-K155 PolarHBondContact O-N 3.18Å; K155-T159 PolarHBondContact O-OG1 3.24Å
156F98.4Very high97Very high0 Ų054 Ų540%027%0.274CS..Hα-helixtrans-65.8-44.7175.4-168.8-89.7000111.2F109 M112 Q113 Y116 V152 A153 Q154 E158 T159 H160 F163F109-F156 HydrophobicContact CD2-CB 4.41Å; F109-F156 AromaticContact CD2-CD2 3.88Å; F109-F156 HydrophobicContact CD2-CD2 3.88Å; F109-F156 HydrophobicContact CE1-CD2 4.24Å; F109-F156 HydrophobicContact CE1-CE2 4.38Å; F109-F156 HydrophobicContact CE2-CB 4.23Å; F109-F156 AromaticContact CE2-CD2 3.56Å; F109-F156 HydrophobicContact CE2-CD2 3.56Å; F109-F156 HydrophobicContact CE2-CE2 4.42Å; F109-F156 HydrophobicContact CE2-CG 4.36Å; F109-F156 HydrophobicContact CG-CD2 4.36Å; F109-F156 AromaticContact CZ-CD2 3.75Å; F109-F156 HydrophobicContact CZ-CD2 3.75Å; F109-F156 HydrophobicContact CZ-CE2 4.18Å; M112-F156 HydrophobicContact CB-CD1 4.12Å; M112-F156 HydrophobicContact CB-CD2 4Å; M112-F156 HydrophobicContact CB-CE1 4.1Å; M112-F156 HydrophobicContact CB-CE2 4Å; M112-F156 HydrophobicContact CB-CG 4.08Å; M112-F156 HydrophobicContact CB-CZ 4.05Å; M112-F156 HydrophobicContact CE-CB 3.66Å; M112-F156 HydrophobicContact CE-CD2 4.22Å; M112-F156 HydrophobicContact CE-CG 3.97Å; M112-F156 HydrophobicContact SD-CB 4.19Å; M112-F156 HydrophobicContact SD-CD1 4.49Å; M112-F156 HydrophobicContact SD-CG 4.28Å; Q113-F156 HydrophobicContact CB-CE2 4.02Å; Y116-F156 HydrophobicContact CD2-CE1 4.39Å; Y116-F156 HydrophobicContact CG-CE1 4.18Å; Y116-F156 HydrophobicContact CG-CZ 4.14Å; V152-F156 WeakPolarHBondContact O-CB 3.27Å; V152-F156 PolarHBondContact O-N 3.32Å; A153-F156 WeakPolarHBondContact O-CB 3.46Å; A153-F156 PolarHBondContact O-N 3.09Å; A153-F156 VanDerWaalsContact O-N 3.16Å; Q154-F156 VanDerWaalsContact C-N 3.29Å; Q154-F156 PolarHBondContact O-N 3.16Å; F156-E158 VanDerWaalsContact C-N 3.34Å; F156-E158 PolarHBondContact O-N 2.82Å; F156-T159 PolarHBondContact O-N 2.96Å; F156-T159 VanDerWaalsContact O-N 3.15Å; F156-T159 PolarHBondContact O-OG1 2.71Å; F156-H160 HydrophobicContact CD1-CB 4.16Å; F156-H160 AromaticContact CD1-ND1 3.82Å; F156-H160 AromaticContact CD2-ND1 3.88Å; F156-H160 HydrophobicContact CE1-CB 3.85Å; F156-H160 AromaticContact CE1-CG 3.66Å; F156-H160 AromaticContact CE1-ND1 3.62Å; F156-H160 AromaticContact CE2-CE1 3.57Å; F156-H160 AromaticContact CE2-ND1 3.66Å; F156-H160 AromaticContact CG-ND1 3.94Å; F156-H160 HydrophobicContact CZ-CB 4.44Å; F156-H160 AromaticContact CZ-CE1 3.66Å; F156-H160 AromaticContact CZ-CG 3.77Å; F156-H160 AromaticContact CZ-ND1 3.52Å; F156-H160 AromaticContact CZ-NE2 3.98Å; F156-H160 WeakPolarHBondContact O-CB 3.48Å; F156-H160 PolarHBondContact O-N 3.39Å; F156-H160 PolarHBondContact O-ND1 2.66Å; F156-F163 HydrophobicContact CD1-CB 4.27Å; F156-F163 AromaticContact CD1-CD1 3.53Å; F156-F163 HydrophobicContact CD1-CD1 3.53Å; F156-F163 AromaticContact CD1-CE1 3.93Å; F156-F163 HydrophobicContact CD1-CE1 3.93Å; F156-F163 AromaticContact CD1-CG 3.89Å; F156-F163 HydrophobicContact CD1-CG 3.89Å; F156-F163 HydrophobicContact CE1-CB 4.16Å; F156-F163 AromaticContact CE1-CD1 3.92Å; F156-F163 HydrophobicContact CE1-CD1 3.92Å; F156-F163 HydrophobicContact CE1-CD2 4.16Å; F156-F163 HydrophobicContact CE1-CE1 4.33Å; F156-F163 AromaticContact CE1-CG 3.83Å; F156-F163 HydrophobicContact CE1-CG 3.83Å
157V97.3Very high97Very high50 Ų5054.7 Ų54.730%0.30328%0.277SS..Hα-helixtrans-61.7-38.1177172.90000112.2A153 Q154 T159 H160 F163A153-V157 WeakPolarHBondContact O-CG2 3.22Å; A153-V157 PolarHBondContact O-N 2.89Å; Q154-V157 PolarHBondContact O-N 3.05Å; V157-T159 PolarHBondContact O-N 2.73Å; V157-T159 VanDerWaalsContact O-N 3.16Å; V157-H160 CarbonylContact O-C 3.21Å; V157-H160 PolarHBondContact O-N 3.43Å; V157-H160 VanDerWaalsContact O-N 3.12Å; V157-F163 HydrophobicContact CG2-CD1 3.91Å
158E96.9Very high97Very high154 Ų15449.5 Ų49.572%0.7226%0.255SS*.Hα-helixtrans-55.7-32.8175.5-72.7171-175.600113Q154 F156Q154-E158 WeakPolarHBondContact O-CG 3.39Å; Q154-E158 PolarHBondContact O-N 2.97Å; F156-E158 VanDerWaalsContact C-N 3.34Å; F156-E158 PolarHBondContact O-N 2.82Å
159T95.4Very high97Very high90 Ų9049.5 Ų49.555%0.55225%0.254SS*.Hα-helixtrans-99.5-11.6-179.852.20000113.5K155 F156 V157K155-T159 PolarHBondContact O-OG1 3.24Å; F156-T159 PolarHBondContact O-N 2.96Å; F156-T159 VanDerWaalsContact O-N 3.15Å; F156-T159 PolarHBondContact O-OG1 2.71Å; V157-T159 PolarHBondContact O-N 2.73Å; V157-T159 VanDerWaalsContact O-N 3.16Å
160H96.6Very high97.1Very high28 Ų2848.8 Ų48.813%0.1325%0.252CS..  trans-136.474.4-178.4-56.486.2000109.9Y116 F156 V157 E162 F163Y116-H160 AromaticContact CD1-CD2 3.57Å; Y116-H160 HydrophobicContact CE1-CB 4.39Å; Y116-H160 AromaticContact CE1-CD2 3.36Å; Y116-H160 WeakPolarHBondContact CE1-CD2 3.48Å; Y116-H160 HydrophobicContact CE2-CB 4.14Å; Y116-H160 AromaticContact CZ-CD2 3.9Å; F156-H160 HydrophobicContact CD1-CB 4.16Å; F156-H160 AromaticContact CD1-ND1 3.82Å; F156-H160 AromaticContact CD2-ND1 3.88Å; F156-H160 HydrophobicContact CE1-CB 3.85Å; F156-H160 AromaticContact CE1-CG 3.66Å; F156-H160 AromaticContact CE1-ND1 3.62Å; F156-H160 AromaticContact CE2-CE1 3.57Å; F156-H160 AromaticContact CE2-ND1 3.66Å; F156-H160 AromaticContact CG-ND1 3.94Å; F156-H160 HydrophobicContact CZ-CB 4.44Å; F156-H160 AromaticContact CZ-CE1 3.66Å; F156-H160 AromaticContact CZ-CG 3.77Å; F156-H160 AromaticContact CZ-ND1 3.52Å; F156-H160 AromaticContact CZ-NE2 3.98Å; F156-H160 WeakPolarHBondContact O-CB 3.48Å; F156-H160 PolarHBondContact O-N 3.39Å; F156-H160 PolarHBondContact O-ND1 2.66Å; V157-H160 CarbonylContact O-C 3.21Å; V157-H160 PolarHBondContact O-N 3.43Å; V157-H160 VanDerWaalsContact O-N 3.12Å; H160-E162 PolarHBondContact O-N 3.14Å; H160-F163 HydrophobicContact CB-CB 4.12Å; H160-F163 VanDerWaalsContact O-CB 3.28Å; H160-F163 WeakPolarHBondContact O-CB 3.23Å; H160-F163 PolarHBondContact O-N 2.72Å
161P92.2Very high97.1Very high117 Ų11746.3 Ų46.376%0.7624%0.24SC*.THydrogen-bonded Turntrans-65.9-14.1-167.524.9-35.5000115.2
162E90.9Very high97Very high78 Ų7842.6 Ų42.636%0.36422%0.223SC..THydrogen-bonded Turntrans-84.6-14.2172.2-69-171.39900113.5L121 H160 I164 R380L121-E162 HydrophobicContact CD2-CB 4.4Å; H160-E162 PolarHBondContact O-N 3.14Å; E162-I164 PolarHBondContact O-N 3.01Å; E162-R380 IonicContact OE1-CZ 2.62Å; E162-R380 IonicContact OE1-NH1 2.84Å; E162-R380 PolarHBondContact OE1-NH1 2.99Å; E162-R380 IonicContact OE2-NH1 3.97Å; E162-R380 PolarHBondContact OE2-NH1 3.36Å
163F96.2Very high97Very high4 Ų443.3 Ų43.32%0.01823%0.225CC..  trans-73.4124175.4-169.7-109.9000109.3M112 Y116 L121 M123 F156 V157 H160 G165 I166M112-F163 HydrophobicContact CB-CZ 4.25Å; M112-F163 HydrophobicContact CG-CE1 4.24Å; M112-F163 HydrophobicContact CG-CZ 4.04Å; M112-F163 HydrophobicContact SD-CE1 3.8Å; M112-F163 HydrophobicContact SD-CZ 4.19Å; Y116-F163 HydrophobicContact CD2-CB 4.07Å; Y116-F163 AromaticContact CD2-CD2 3.9Å; Y116-F163 HydrophobicContact CD2-CD2 3.9Å; Y116-F163 HydrophobicContact CD2-CG 4.38Å; Y116-F163 HydrophobicContact CE2-CB 4.14Å; L121-F163 VanDerWaalsContact O-CD2 3.31Å; L121-F163 WeakPolarHBondContact O-CD2 3.05Å; M123-F163 HydrophobicContact CG-CZ 4.41Å; M123-F163 HydrophobicContact SD-CZ 4.32Å; F156-F163 HydrophobicContact CD1-CB 4.27Å; F156-F163 AromaticContact CD1-CD1 3.53Å; F156-F163 HydrophobicContact CD1-CD1 3.53Å; F156-F163 AromaticContact CD1-CE1 3.93Å; F156-F163 HydrophobicContact CD1-CE1 3.93Å; F156-F163 AromaticContact CD1-CG 3.89Å; F156-F163 HydrophobicContact CD1-CG 3.89Å; F156-F163 HydrophobicContact CE1-CB 4.16Å; F156-F163 AromaticContact CE1-CD1 3.92Å; F156-F163 HydrophobicContact CE1-CD1 3.92Å; F156-F163 HydrophobicContact CE1-CD2 4.16Å; F156-F163 HydrophobicContact CE1-CE1 4.33Å; F156-F163 AromaticContact CE1-CG 3.83Å; F156-F163 HydrophobicContact CE1-CG 3.83Å; V157-F163 HydrophobicContact CG2-CD1 3.91Å; H160-F163 HydrophobicContact CB-CB 4.12Å; H160-F163 VanDerWaalsContact O-CB 3.28Å; H160-F163 WeakPolarHBondContact O-CB 3.23Å; H160-F163 PolarHBondContact O-N 2.72Å; F163-G165 VanDerWaalsContact CE1-CA 3.49Å; F163-I166 HydrophobicContact CE1-CG2 3.98Å; F163-I166 HydrophobicContact CZ-CG2 3.87Å
164I95.9Very high96.8Very high55 Ų5543 Ų4328%0.28222%0.222SC..  trans-75.1-32.9-176.1-54.2-59.3000111.1L121 Y122 E162 L365 F373 I376L121-I164 HydrophobicContact CB-CG1 4.36Å; L121-I164 VanDerWaalsContact O-CB 3.31Å; L121-I164 WeakPolarHBondContact O-CB 3.34Å; L121-I164 WeakPolarHBondContact O-CG1 3.15Å; L121-I164 PolarHBondContact O-N 3.22Å; Y122-I164 HydrophobicContact CD2-CB 4.34Å; Y122-I164 HydrophobicContact CD2-CG2 4.17Å; E162-I164 PolarHBondContact O-N 3.01Å; I164-L365 HydrophobicContact CG2-CD1 4.17Å; I164-L365 HydrophobicContact CG2-CD2 4.13Å; I164-F373 HydrophobicContact CD1-CB 4.18Å; I164-F373 HydrophobicContact CD1-CD2 3.76Å; I164-F373 HydrophobicContact CD1-CE2 4.35Å; I164-F373 HydrophobicContact CD1-CG 3.98Å; I164-F373 HydrophobicContact CG1-CB 4.34Å; I164-F373 HydrophobicContact CG1-CD1 3.98Å; I164-F373 HydrophobicContact CG1-CD2 3.6Å; I164-F373 HydrophobicContact CG1-CE1 4.15Å; I164-F373 HydrophobicContact CG1-CE2 3.81Å; I164-F373 HydrophobicContact CG1-CG 3.72Å; I164-F373 HydrophobicContact CG1-CZ 4.08Å; I164-I376 HydrophobicContact CD1-CD1 3.95Å
165G96.2Very high96.7Very high10 Ų1041.4 Ų41.410%0.10322%0.223CC..EExtended strand (participates in β ladder)trans125.9-161.518000000113Y122 M123 F163Y122-G165 WeakPolarHBondContact CA-O 3.4Å; Y122-G165 VanDerWaalsContact CD2-O 3.26Å; Y122-G165 WeakPolarHBondContact CD2-O 3.48Å; M123-G165 PolarHBondContact N-O 2.81Å; F163-G165 VanDerWaalsContact CE1-CA 3.49Å
166I98.1Very high96.6Very high17 Ų1738.6 Ų38.69%0.08721%0.211CC..EExtended strand (participates in β ladder)trans-131.9156.4-179.370.2177.1000111.3M112 M123 I125 Y149 A153 F163 I168M112-I166 HydrophobicContact CG-CG2 3.98Å; M112-I166 HydrophobicContact SD-CD1 4.34Å; M112-I166 HydrophobicContact SD-CG2 3.64Å; M123-I166 HydrophobicContact CB-CG2 4.09Å; M123-I166 CarbonylContact O-C 3.6Å; M123-I166 WeakPolarHBondContact O-CA 3.36Å; I125-I166 HydrophobicContact CD1-CD1 4.15Å; I125-I166 HydrophobicContact CD1-CG2 4.45Å; Y149-I166 HydrophobicContact CD1-CD1 3.88Å; Y149-I166 HydrophobicContact CG-CD1 4.48Å; A153-I166 HydrophobicContact CB-CD1 3.86Å; A153-I166 HydrophobicContact CB-CG1 3.74Å; F163-I166 HydrophobicContact CE1-CG2 3.98Å; F163-I166 HydrophobicContact CZ-CG2 3.87Å; I166-I168 HydrophobicContact CD1-CD1 4.34Å
167K98.5Very high96.5Very high15 Ų1544 Ų447%0.06524%0.24CC..EExtended strand (participates in β ladder)trans-126.9158.1160.7-66.4-168-174.2-171.30110.7Y122 M123 E124 I125 T197 V198 A200 T364 E369Y122-K167 HydrophobicContact CE2-CG 4.25Å; Y122-K167 WeakPolarHBondContact OH-CD 3.47Å; Y122-K167 WeakPolarHBondContact OH-CG 3.39Å; M123-K167 PolarHBondContact O-N 2.93Å; E124-K167 CarbonylContact C-O 3.51Å; E124-K167 WeakPolarHBondContact CA-O 3.27Å; E124-K167 HydrophobicContact CG-CB 4.41Å; I125-K167 PolarHBondContact N-O 3.08Å; K167-T197 VanDerWaalsContact CE-O 3.28Å; K167-T197 WeakPolarHBondContact CE-O 3.46Å; K167-V198 CarbonylContact C-O 3.56Å; K167-V198 VanDerWaalsContact CA-O 3.28Å; K167-V198 WeakPolarHBondContact CA-O 3.47Å; K167-V198 WeakPolarHBondContact CB-O 3.13Å; K167-A200 HydrophobicContact CB-CB 4.39Å; K167-T364 WeakPolarHBondContact CD-OG1 3.44Å; K167-T364 PolarHBondContact NZ-O 3.2Å; K167-E369 IonicContact NZ-OE2 3.18Å
168I98.8Very high96.5Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-110.5127.6179.8-53.4-56.5000109.2I125 A127 L129 Y149 I166 V198 V199 A200I125-I168 HydrophobicContact CB-CD1 3.98Å; I125-I168 HydrophobicContact CD1-CD1 4.49Å; I125-I168 CarbonylContact O-C 3.58Å; I125-I168 WeakPolarHBondContact O-CA 3.2Å; A127-I168 HydrophobicContact CB-CG2 3.91Å; L129-I168 HydrophobicContact CD2-CG2 4.49Å; Y149-I168 HydrophobicContact CD1-CD1 3.76Å; Y149-I168 HydrophobicContact CD2-CD1 3.96Å; Y149-I168 HydrophobicContact CD2-CG1 4.29Å; Y149-I168 HydrophobicContact CE1-CD1 4.08Å; Y149-I168 HydrophobicContact CE2-CD1 4.28Å; Y149-I168 HydrophobicContact CG-CD1 3.71Å; Y149-I168 HydrophobicContact CG-CG1 4.24Å; I166-I168 HydrophobicContact CD1-CD1 4.34Å; I168-V198 HydrophobicContact CG1-CG1 4.13Å; I168-V198 PolarHBondContact N-O 2.9Å; I168-V199 CarbonylContact O-C 3.55Å; I168-V199 WeakPolarHBondContact O-CA 3.02Å; I168-A200 PolarHBondContact O-N 3.13Å
169I98.9Very high96.5Very high1 Ų140.7 Ų40.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-97.2110.9164.1-60.2167.6000105.2E124 I125 R126 A127 S171 A200 D203 F234E124-I169 HydrophobicContact CB-CD1 4.22Å; I125-I169 PolarHBondContact O-N 3.1Å; R126-I169 WeakPolarHBondContact CA-O 3.47Å; R126-I169 HydrophobicContact CG-CB 4.16Å; R126-I169 HydrophobicContact CG-CD1 4.23Å; R126-I169 HydrophobicContact CG-CG2 4.44Å; A127-I169 PolarHBondContact N-O 2.96Å; I169-S171 PolarHBondContact O-N 3.49Å; I169-S171 PolarHBondContact O-OG 3.1Å; I169-A200 HydrophobicContact CG1-CB 4.07Å; I169-D203 HydrophobicContact CG2-CB 3.77Å; I169-F234 HydrophobicContact CD1-CB 4.16Å; I169-F234 HydrophobicContact CD1-CD1 3.99Å; I169-F234 HydrophobicContact CD1-CD2 4.07Å; I169-F234 HydrophobicContact CD1-CE1 4.45Å; I169-F234 HydrophobicContact CD1-CG 3.79Å; I169-F234 HydrophobicContact CG1-CD2 4.05Å; I169-F234 HydrophobicContact CG1-CE2 4.3Å; I169-F234 HydrophobicContact CG1-CG 4.3Å; I169-F234 HydrophobicContact CG2-CB 4.11Å; I169-F234 HydrophobicContact CG2-CD2 3.74Å; I169-F234 HydrophobicContact CG2-CG 4.16Å
170Y98.8Very high96.7Very high10 Ų1038.7 Ų38.74%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-69.9128.1177.8174.8-122.9000108.6A127 L129 S184 M187 A188 L191 G201 F202 D203A127-Y170 WeakPolarHBondContact O-CD2 3.42Å; L129-Y170 HydrophobicContact CB-CD2 4.28Å; L129-Y170 HydrophobicContact CB-CE2 4.17Å; L129-Y170 HydrophobicContact CD1-CD2 3.6Å; L129-Y170 HydrophobicContact CD1-CE2 4.14Å; L129-Y170 HydrophobicContact CD1-CG 4.39Å; L129-Y170 HydrophobicContact CG-CD2 3.86Å; L129-Y170 HydrophobicContact CG-CE2 4.26Å; Y170-S184 WeakPolarHBondContact CE1-O 3.27Å; Y170-S184 PolarHBondContact OH-OG 3.18Å; Y170-M187 HydrophobicContact CE1-CB 4.18Å; Y170-M187 HydrophobicContact CE1-CG 4.17Å; Y170-A188 HydrophobicContact CD1-CB 3.77Å; Y170-A188 HydrophobicContact CE1-CB 4.49Å; Y170-L191 HydrophobicContact CG-CD1 4.4Å; Y170-G201 PolarHBondContact N-O 2.85Å; Y170-F202 AromaticContact CD1-CD2 3.71Å; Y170-F202 HydrophobicContact CD1-CD2 3.71Å; Y170-F202 AromaticContact CD1-CE2 3.95Å; Y170-F202 HydrophobicContact CD1-CE2 3.95Å; Y170-F202 HydrophobicContact CE1-CD2 4.19Å; Y170-F202 AromaticContact CE1-CE2 3.97Å; Y170-F202 HydrophobicContact CE1-CE2 3.97Å; Y170-F202 HydrophobicContact CG-CD2 4.5Å; Y170-F202 CarbonylContact O-C 3.5Å; Y170-F202 WeakPolarHBondContact O-CA 3.48Å; Y170-F202 VanDerWaalsContact O-CD2 3.27Å; Y170-F202 WeakPolarHBondContact O-CD2 3.11Å; Y170-D203 PolarHBondContact O-N 3.3Å
171S98.5Very high96.7Very high1 Ų137.4 Ų37.41%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-125.5149.8-173.5-56.50000110.7A127 R128 I169 D203A127-S171 PolarHBondContact O-N 2.63Å; R128-S171 VanDerWaalsContact CA-O 3.28Å; R128-S171 WeakPolarHBondContact CA-O 3.3Å; I169-S171 PolarHBondContact O-N 3.49Å; I169-S171 PolarHBondContact O-OG 3.1Å; S171-D203 VanDerWaalsContact CA-O 3.29Å; S171-D203 WeakPolarHBondContact CA-O 3.36Å
172D97.9Very high97Very high3 Ų332.4 Ų32.42%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-131.6162.6166.3-150.2-10.5000112.1K176 I181 S184 F202 D203 L204 V205D172-K176 VanDerWaalsContact OD1-CD 3.27Å; D172-K176 WeakPolarHBondContact OD1-CD 3.22Å; D172-K176 WeakPolarHBondContact OD1-CE 3.27Å; D172-K176 IonicContact OD1-NZ 3.74Å; D172-K176 PolarHBondContact OD1-NZ 3.45Å; D172-K176 WeakPolarHBondContact OD2-CD 3.5Å; D172-K176 IonicContact OD2-NZ 3.47Å; D172-K176 PolarHBondContact OD2-NZ 3.29Å; D172-I181 HydrophobicContact CB-CD1 3.95Å; D172-S184 PolarHBondContact OD2-OG 3.17Å; D172-F202 HydrophobicContact CB-CE2 4.22Å; D172-F202 HydrophobicContact CB-CZ 4.09Å; D172-D203 PolarHBondContact N-O 3.04Å; D172-L204 WeakPolarHBondContact O-CA 3.28Å; D172-V205 WeakPolarHBondContact O-CG2 3.4Å; D172-V205 PolarHBondContact O-N 3.06Å
173H97.1Very high97.4Very high29 Ų2934.8 Ų34.813%0.13420%0.198CC..EExtended strand (participates in β ladder)trans-81.9128.1-174.5-159.3-97.3000111.3E88 S175 K176 G206E88-H173 IonicContact OE1-CE1 2.67Å; E88-H173 PolarHBondContact OE1-CE1 2.91Å; E88-H173 IonicContact OE1-NE2 2.85Å; E88-H173 PolarHBondContact OE1-NE2 3.33Å; H173-S175 VanDerWaalsContact ND1-CB 3.32Å; H173-S175 WeakPolarHBondContact ND1-CB 3.33Å; H173-S175 PolarHBondContact ND1-N 3.19Å; H173-S175 PolarHBondContact ND1-OG 2.9Å; H173-S175 PolarHBondContact O-N 3.46Å; H173-K176 PolarHBondContact O-N 3.12Å; H173-K176 VanDerWaalsContact O-N 3.16Å; H173-G206 WeakPolarHBondContact NE2-CA 3.36Å
174R95.3Very high97.5Very high2 Ų234.9 Ų34.91%0.00820%0.2CC..THydrogen-bonded Turntrans-67.9-1.5-177.469.6175.359.4-153.4-2.9115.4L204 V205 G206 E208 H212 Y217 H236R174-L204 HydrophobicContact CB-CB 4.49Å; R174-L204 PolarHBondContact NH2-O 3.43Å; R174-L204 VanDerWaalsContact NH2-O 3.1Å; R174-V205 WeakPolarHBondContact CG-O 3.5Å; R174-V205 PolarHBondContact N-O 3.03Å; R174-G206 PolarHBondContact NE-O 2.86Å; R174-E208 IonicContact CZ-OE1 2.84Å; R174-E208 VanDerWaalsContact NH1-CA 3.32Å; R174-E208 VanDerWaalsContact NH1-CB 3.26Å; R174-E208 IonicContact NH1-OE1 2.74Å; R174-E208 PolarHBondContact NH1-OE1 3.25Å; R174-E208 IonicContact NH2-OE1 3.89Å; R174-H212 WeakPolarHBondContact O-CB 3.43Å; R174-H212 PolarHBondContact O-N 3.39Å; R174-H212 VanDerWaalsContact O-N 3.12Å; R174-H212 PolarHBondContact O-ND1 3.39Å; R174-Y217 VanDerWaalsContact C-OH 3.24Å; R174-Y217 HydrophobicContact CB-CE2 4.49Å; R174-Y217 PolarHBondContact O-OH 2.89Å; R174-H236 VanDerWaalsContact NH2-CB 3.35Å; R174-H236 PolarHBondContact NH2-O 3.21Å
175S94.9Very high97.6Very high73 Ų7332.3 Ų32.351%0.5119%0.186SC..THydrogen-bonded Turntrans-88.7-5.2173.877.90000113.7H173H173-S175 VanDerWaalsContact ND1-CB 3.32Å; H173-S175 WeakPolarHBondContact ND1-CB 3.33Å; H173-S175 PolarHBondContact ND1-N 3.19Å; H173-S175 PolarHBondContact ND1-OG 2.9Å; H173-S175 PolarHBondContact O-N 3.46Å
176K96Very high97.8Very high74 Ų7438.1 Ų38.132%0.32221%0.205SC..SBendtrans-77.7162.4-177.9-71.8-177.7172-177.60111.7D172 H173 V180 I181 H212 Y217D172-K176 VanDerWaalsContact OD1-CD 3.27Å; D172-K176 WeakPolarHBondContact OD1-CD 3.22Å; D172-K176 WeakPolarHBondContact OD1-CE 3.27Å; D172-K176 IonicContact OD1-NZ 3.74Å; D172-K176 PolarHBondContact OD1-NZ 3.45Å; D172-K176 WeakPolarHBondContact OD2-CD 3.5Å; D172-K176 IonicContact OD2-NZ 3.47Å; D172-K176 PolarHBondContact OD2-NZ 3.29Å; H173-K176 PolarHBondContact O-N 3.12Å; H173-K176 VanDerWaalsContact O-N 3.16Å; K176-V180 HydrophobicContact CB-CB 4.37Å; K176-V180 HydrophobicContact CD-CB 4.49Å; K176-V180 HydrophobicContact CD-CG1 3.77Å; K176-I181 HydrophobicContact CB-CD1 4.04Å; K176-I181 HydrophobicContact CB-CG1 4.35Å; K176-I181 HydrophobicContact CD-CD1 4.46Å; K176-H212 PolarHBondContact O-ND1 3.31Å; K176-Y217 PolarHBondContact O-OH 2.96Å
177D96.6Very high97.8Very high114 Ų11440.1 Ų40.161%0.6122%0.215SC*.  trans-68.1150.7175.8-63.1-33.6000111.7A179 V180 I181D177-A179 PolarHBondContact O-N 2.75Å; D177-A179 VanDerWaalsContact O-N 3.16Å; D177-V180 HydrophobicContact CB-CG2 4.37Å; D177-V180 PolarHBondContact O-N 2.77Å; D177-I181 PolarHBondContact O-N 3.46Å
178V96.7Very high97.8Very high63 Ų6339.4 Ų39.438%0.38221%0.212SC..Hα-helixtrans-54-38.2-179.7179.50000112.3V180 I181 A182 Y217V178-V180 VanDerWaalsContact C-N 3.35Å; V178-V180 PolarHBondContact O-N 3.24Å; V178-I181 PolarHBondContact O-N 3.46Å; V178-A182 PolarHBondContact O-N 3.44Å; V178-Y217 HydrophobicContact CB-CD1 4.3Å; V178-Y217 HydrophobicContact CG1-CD1 4.4Å; V178-Y217 HydrophobicContact CG2-CD1 3.9Å; V178-Y217 HydrophobicContact CG2-CE1 4.02Å
179A97.8Very high97.8Very high70 Ų7040.3 Ų40.358%0.57922%0.216SC*.Hα-helixtrans-62.4-41.5177.900000112.1D177 A182 E183D177-A179 PolarHBondContact O-N 2.75Å; D177-A179 VanDerWaalsContact O-N 3.16Å; A179-A182 WeakPolarHBondContact O-CB 3.4Å; A179-A182 PolarHBondContact O-N 3.25Å; A179-E183 PolarHBondContact O-N 3.44Å; A179-E183 VanDerWaalsContact O-N 3.1Å
180V97.9Very high97.8Very high49 Ų4941.6 Ų41.630%0.29723%0.23SC..Hα-helixtrans-69.3-39.8178.3-1750000110.5K176 D177 V178 A182 E183 S184K176-V180 HydrophobicContact CB-CB 4.37Å; K176-V180 HydrophobicContact CD-CB 4.49Å; K176-V180 HydrophobicContact CD-CG1 3.77Å; D177-V180 HydrophobicContact CB-CG2 4.37Å; D177-V180 PolarHBondContact O-N 2.77Å; V178-V180 VanDerWaalsContact C-N 3.35Å; V178-V180 PolarHBondContact O-N 3.24Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.27Å; V180-E183 WeakPolarHBondContact O-CB 3.42Å; V180-E183 PolarHBondContact O-N 2.99Å; V180-E183 VanDerWaalsContact O-N 3.16Å; V180-S184 PolarHBondContact O-N 2.85Å; V180-S184 PolarHBondContact O-OG 2.96Å
181I98.4Very high97.8Very high0 Ų041.1 Ų41.10%023%0.228CC..Hα-helixtrans-63.7-37.4174.1-63.3-52.6000111.5D172 K176 D177 V178 E183 S184 I185 L204 Y217 A220D172-I181 HydrophobicContact CB-CD1 3.95Å; K176-I181 HydrophobicContact CB-CD1 4.04Å; K176-I181 HydrophobicContact CB-CG1 4.35Å; K176-I181 HydrophobicContact CD-CD1 4.46Å; D177-I181 PolarHBondContact O-N 3.46Å; V178-I181 PolarHBondContact O-N 3.46Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 2.81Å; I181-S184 PolarHBondContact O-N 2.95Å; I181-I185 HydrophobicContact CG2-CG1 4.45Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 3.3Å; I181-L204 HydrophobicContact CD1-CD2 3.81Å; I181-L204 HydrophobicContact CG1-CD2 4.38Å; I181-L204 HydrophobicContact CG2-CD2 4.25Å; I181-Y217 HydrophobicContact CB-CD1 3.91Å; I181-Y217 HydrophobicContact CB-CE1 3.98Å; I181-Y217 HydrophobicContact CG1-CD1 3.89Å; I181-Y217 HydrophobicContact CG1-CE1 3.45Å; I181-Y217 VanDerWaalsContact CG1-CE1 3.45Å; I181-Y217 HydrophobicContact CG1-CE2 4.46Å; I181-Y217 HydrophobicContact CG2-CD1 3.99Å; I181-Y217 HydrophobicContact CG2-CE1 4.42Å; I181-Y217 HydrophobicContact CG2-CG 4.15Å; I181-A220 HydrophobicContact CG2-CB 4.21Å
182A98.5Very high97.7Very high13 Ų1344.7 Ų44.711%0.10724%0.241CC..Hα-helixtrans-62.5-36.3173.800000112.6V178 A179 V180 R186 A220 I223V178-A182 PolarHBondContact O-N 3.44Å; A179-A182 WeakPolarHBondContact O-CB 3.4Å; A179-A182 PolarHBondContact O-N 3.25Å; V180-A182 VanDerWaalsContact C-N 3.31Å; V180-A182 PolarHBondContact O-N 3.27Å; A182-R186 WeakPolarHBondContact O-CG 3.34Å; A182-R186 PolarHBondContact O-N 3.02Å; A182-R186 PolarHBondContact O-NH1 3.34Å; A182-R186 VanDerWaalsContact O-NH1 3.14Å; A182-A220 HydrophobicContact CB-CB 3.82Å; A182-I223 HydrophobicContact CB-CD1 3.77Å
183E98.5Very high97.7Very high127 Ų12750.6 Ų50.659%0.59327%0.271SS*.Hα-helixtrans-66.4-44.5171.3-69.5174.9173.300111.4A179 V180 I181 I185 R186 M187A179-E183 PolarHBondContact O-N 3.44Å; A179-E183 VanDerWaalsContact O-N 3.1Å; V180-E183 WeakPolarHBondContact O-CB 3.42Å; V180-E183 PolarHBondContact O-N 2.99Å; V180-E183 VanDerWaalsContact O-N 3.16Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 2.81Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.41Å; E183-R186 PolarHBondContact O-N 3.2Å; E183-R186 VanDerWaalsContact O-N 3.12Å; E183-M187 PolarHBondContact O-N 2.78Å
184S98.6Very high97.7Very high7 Ų754.8 Ų54.85%0.04929%0.289CS..Hα-helixtrans-60.5-37.2175.9-68.30000112.7Y170 D172 V180 I181 M187 A188Y170-S184 WeakPolarHBondContact CE1-O 3.27Å; Y170-S184 PolarHBondContact OH-OG 3.18Å; D172-S184 PolarHBondContact OD2-OG 3.17Å; V180-S184 PolarHBondContact O-N 2.85Å; V180-S184 PolarHBondContact O-OG 2.96Å; I181-S184 PolarHBondContact O-N 2.95Å; S184-M187 WeakPolarHBondContact O-CB 3.34Å; S184-M187 PolarHBondContact O-N 3.49Å; S184-A188 WeakPolarHBondContact O-CB 3.42Å; S184-A188 PolarHBondContact O-N 2.77Å
185I98.7Very high97.9Very high0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-63.7-43.8173.9-69.2-69000111.4I181 E183 M187 A188 M189 F202 L221 I223 P224 L231 Y233I181-I185 HydrophobicContact CG2-CG1 4.45Å; I181-I185 WeakPolarHBondContact O-CG1 3.48Å; I181-I185 PolarHBondContact O-N 3.3Å; E183-I185 VanDerWaalsContact C-N 3.31Å; E183-I185 PolarHBondContact O-N 3.41Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.42Å; I185-A188 WeakPolarHBondContact O-CB 3.24Å; I185-A188 PolarHBondContact O-N 2.86Å; I185-M189 HydrophobicContact CG2-SD 4.17Å; I185-M189 WeakPolarHBondContact O-CG 3.35Å; I185-M189 PolarHBondContact O-N 3.42Å; I185-F202 HydrophobicContact CD1-CB 4.46Å; I185-F202 HydrophobicContact CD1-CD1 3.33Å; I185-F202 HydrophobicContact CD1-CD2 4.33Å; I185-F202 HydrophobicContact CD1-CE1 3.47Å; I185-F202 VanDerWaalsContact CD1-CE1 3.47Å; I185-F202 HydrophobicContact CD1-CE2 4.45Å; I185-F202 HydrophobicContact CD1-CG 3.78Å; I185-F202 HydrophobicContact CD1-CZ 4.06Å; I185-F202 HydrophobicContact CG1-CE1 4.33Å; I185-L221 HydrophobicContact CD1-CD2 3.75Å; I185-L221 HydrophobicContact CG1-CD2 4.25Å; I185-I223 HydrophobicContact CG2-CB 4.15Å; I185-I223 HydrophobicContact CG2-CG2 4.49Å; I185-P224 HydrophobicContact CG2-CG 3.68Å; I185-L231 HydrophobicContact CD1-CD2 4.27Å; I185-L231 HydrophobicContact CG2-CD2 4.29Å; I185-Y233 HydrophobicContact CD1-CE1 3.8Å
186R98.6Very high97.9Very high132 Ų13256.2 Ų56.250%0.49829%0.294SS..Hα-helixtrans-64.8-38.7175.8-67.4-177.9-170.296.4-5.5111.7A182 E183 M189 G190 I223A182-R186 WeakPolarHBondContact O-CG 3.34Å; A182-R186 PolarHBondContact O-N 3.02Å; A182-R186 PolarHBondContact O-NH1 3.34Å; A182-R186 VanDerWaalsContact O-NH1 3.14Å; E183-R186 PolarHBondContact O-N 3.2Å; E183-R186 VanDerWaalsContact O-N 3.12Å; R186-M189 PolarHBondContact O-N 2.9Å; R186-G190 PolarHBondContact O-N 2.78Å; R186-I223 HydrophobicContact CG-CG2 4.41Å
187M98.6Very high97.8Very high59 Ų5956.6 Ų56.629%0.29130%0.303SS..Hα-helixtrans-60.6-46.3172.6-177.358.778.400110.9E142 Y170 E183 S184 I185 M189 G190 L191E142-M187 HydrophobicContact CB-SD 4.41Å; Y170-M187 HydrophobicContact CE1-CB 4.18Å; Y170-M187 HydrophobicContact CE1-CG 4.17Å; E183-M187 PolarHBondContact O-N 2.78Å; S184-M187 WeakPolarHBondContact O-CB 3.34Å; S184-M187 PolarHBondContact O-N 3.49Å; I185-M187 VanDerWaalsContact C-N 3.33Å; I185-M187 PolarHBondContact O-N 3.42Å; M187-M189 VanDerWaalsContact C-N 3.31Å; M187-M189 PolarHBondContact O-N 3.03Å; M187-G190 PolarHBondContact O-N 2.89Å; M187-G190 VanDerWaalsContact O-N 3.14Å; M187-L191 HydrophobicContact CG-CD1 3.89Å; M187-L191 HydrophobicContact CG-CG 4.15Å; M187-L191 WeakPolarHBondContact O-CB 3.48Å; M187-L191 WeakPolarHBondContact O-CG 3.28Å; M187-L191 PolarHBondContact O-N 2.71Å; M187-L191 HydrophobicContact SD-CD1 4.18Å; M187-L191 HydrophobicContact SD-CD2 4.31Å; M187-L191 HydrophobicContact SD-CG 3.9Å
188A98.7Very high97.9Very high0 Ų051.6 Ų51.60%028%0.276CS..Hα-helixtrans-56.9-44.3176.600000112Y170 S184 I185 R192 F202 L231Y170-A188 HydrophobicContact CD1-CB 3.77Å; Y170-A188 HydrophobicContact CE1-CB 4.49Å; S184-A188 WeakPolarHBondContact O-CB 3.42Å; S184-A188 PolarHBondContact O-N 2.77Å; I185-A188 WeakPolarHBondContact O-CB 3.24Å; I185-A188 PolarHBondContact O-N 2.86Å; A188-R192 VanDerWaalsContact O-CB 3.23Å; A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.28Å; A188-F202 HydrophobicContact CB-CB 4.01Å; A188-F202 HydrophobicContact CB-CD2 3.85Å; A188-F202 HydrophobicContact CB-CG 4.28Å; A188-L231 HydrophobicContact CB-CD1 4.18Å; A188-L231 HydrophobicContact CB-CD2 3.99Å
189M98.7Very high98Very high19 Ų1948.7 Ų48.79%0.09426%0.259CS..Hα-helixtrans-61.5-47.7175.6-66.8163.561.700111.2I185 R186 M187 R192 I193 I223 P224 D227 V229 L231I185-M189 HydrophobicContact CG2-SD 4.17Å; I185-M189 WeakPolarHBondContact O-CG 3.35Å; I185-M189 PolarHBondContact O-N 3.42Å; R186-M189 PolarHBondContact O-N 2.9Å; M187-M189 VanDerWaalsContact C-N 3.31Å; M187-M189 PolarHBondContact O-N 3.03Å; M189-R192 PolarHBondContact O-N 3.13Å; M189-I193 VanDerWaalsContact O-CG1 3.32Å; M189-I193 WeakPolarHBondContact O-CG1 3.38Å; M189-I193 PolarHBondContact O-N 3.25Å; M189-I223 HydrophobicContact SD-CG2 4.16Å; M189-P224 HydrophobicContact CG-CG 4.25Å; M189-P224 HydrophobicContact SD-CB 4.08Å; M189-P224 HydrophobicContact SD-CG 3.77Å; M189-D227 HydrophobicContact CE-CB 4.25Å; M189-V229 HydrophobicContact CE-CB 3.84Å; M189-V229 HydrophobicContact CE-CG1 4.09Å; M189-V229 HydrophobicContact CE-CG2 3.77Å; M189-V229 HydrophobicContact CG-CG1 4.32Å; M189-L231 HydrophobicContact CG-CD2 4.23Å
190G98.3Very high98Very high28 Ų2845.6 Ų45.629%0.28923%0.233SC..Hα-helixtrans-62.5-48.6179.100000113.1R186 M187 R192 I193 K194R186-G190 PolarHBondContact O-N 2.78Å; M187-G190 PolarHBondContact O-N 2.89Å; M187-G190 VanDerWaalsContact O-N 3.14Å; G190-R192 VanDerWaalsContact C-N 3.3Å; G190-R192 PolarHBondContact O-N 3.01Å; G190-I193 PolarHBondContact O-N 3.12Å; G190-K194 PolarHBondContact O-N 3.34Å
191L98.6Very high98Very high0 Ų043.2 Ų43.20%022%0.219CC..Hα-helixtrans-60.1-40.7176.3-70.9177.5000111.5L129 E142 E143 V146 Y170 M187 K194 F195 V199L129-L191 HydrophobicContact CD1-CD1 3.72Å; E142-L191 HydrophobicContact CB-CD1 4.21Å; E142-L191 HydrophobicContact CB-CD2 4.4Å; E143-L191 HydrophobicContact CG-CD2 3.7Å; V146-L191 HydrophobicContact CG2-CD1 4.37Å; V146-L191 HydrophobicContact CG2-CD2 4.24Å; Y170-L191 HydrophobicContact CG-CD1 4.4Å; M187-L191 HydrophobicContact CG-CD1 3.89Å; M187-L191 HydrophobicContact CG-CG 4.15Å; M187-L191 WeakPolarHBondContact O-CB 3.48Å; M187-L191 WeakPolarHBondContact O-CG 3.28Å; M187-L191 PolarHBondContact O-N 2.71Å; M187-L191 HydrophobicContact SD-CD1 4.18Å; M187-L191 HydrophobicContact SD-CD2 4.31Å; M187-L191 HydrophobicContact SD-CG 3.9Å; L191-K194 PolarHBondContact O-N 3.15Å; L191-F195 HydrophobicContact CD2-CD2 4.37Å; L191-F195 HydrophobicContact CD2-CE2 4.3Å; L191-F195 WeakPolarHBondContact O-CB 3.41Å; L191-F195 WeakPolarHBondContact O-CD2 3.46Å; L191-F195 PolarHBondContact O-N 3.47Å; L191-V199 HydrophobicContact CB-CG1 4.32Å; L191-V199 HydrophobicContact CB-CG2 4.23Å
192R97.8Very high98Very high76 Ų7643.2 Ų43.229%0.28722%0.219SC..Hα-helixtrans-67.9-33.9177.6-176.5158176.257.33.3113.1A188 M189 G190 P196 V199A188-R192 VanDerWaalsContact O-CB 3.23Å; A188-R192 WeakPolarHBondContact O-CB 3.39Å; A188-R192 PolarHBondContact O-N 3.28Å; M189-R192 PolarHBondContact O-N 3.13Å; G190-R192 VanDerWaalsContact C-N 3.3Å; G190-R192 PolarHBondContact O-N 3.01Å; R192-P196 PolarHBondContact NH1-O 2.93Å; R192-P196 VanDerWaalsContact NH1-O 3.15Å; R192-P196 WeakPolarHBondContact O-CA 3.47Å; R192-P196 WeakPolarHBondContact O-CB 3.46Å; R192-V199 HydrophobicContact CB-CG1 4.21Å; R192-V199 PolarHBondContact NH1-O 3.37Å
193I97.6Very high98Very high127 Ų12742.6 Ų42.665%0.65121%0.214SC*.Hα-helixtrans-66.4-43.7173.1-70.2164.1000110.6M189 G190M189-I193 VanDerWaalsContact O-CG1 3.32Å; M189-I193 WeakPolarHBondContact O-CG1 3.38Å; M189-I193 PolarHBondContact O-N 3.25Å; G190-I193 PolarHBondContact O-N 3.12Å
194K98.1Very high98Very high117 Ų11736.6 Ų36.651%0.50919%0.186SC..Hα-helixtrans-73.6-35.6-178.6-71.1-177.9172.7-1730113.3E143 G190 L191 P196E143-K194 HydrophobicContact CG-CD 4.44Å; E143-K194 WeakPolarHBondContact OE1-CD 3.13Å; E143-K194 WeakPolarHBondContact OE1-CE 3.44Å; E143-K194 IonicContact OE1-NZ 2.68Å; E143-K194 PolarHBondContact OE1-NZ 2.91Å; E143-K194 WeakPolarHBondContact OE2-CD 3.35Å; E143-K194 IonicContact OE2-NZ 3.49Å; E143-K194 PolarHBondContact OE2-NZ 3.3Å; G190-K194 PolarHBondContact O-N 3.34Å; L191-K194 PolarHBondContact O-N 3.15Å; K194-P196 VanDerWaalsContact C-CD 3.44Å; K194-P196 WeakPolarHBondContact O-CD 3.14Å
195F98.1Very high98Very high31 Ų3137.5 Ų37.514%0.13619%0.191CC..  trans-128.359.6-174.7-53.6-81.4000111.9E143 V146 K147 L191 T197 V198 V199E143-F195 HydrophobicContact CB-CE2 4.28Å; E143-F195 HydrophobicContact CG-CE2 4.25Å; V146-F195 HydrophobicContact CB-CD2 4.2Å; V146-F195 HydrophobicContact CB-CE2 4.25Å; V146-F195 HydrophobicContact CG1-CB 3.87Å; V146-F195 HydrophobicContact CG1-CD1 3.95Å; V146-F195 HydrophobicContact CG1-CD2 3.64Å; V146-F195 HydrophobicContact CG1-CE1 4.38Å; V146-F195 HydrophobicContact CG1-CE2 4.11Å; V146-F195 HydrophobicContact CG1-CG 3.55Å; V146-F195 HydrophobicContact CG1-CZ 4.46Å; K147-F195 HydrophobicContact CB-CE1 4.44Å; L191-F195 HydrophobicContact CD2-CD2 4.37Å; L191-F195 HydrophobicContact CD2-CE2 4.3Å; L191-F195 WeakPolarHBondContact O-CB 3.41Å; L191-F195 WeakPolarHBondContact O-CD2 3.46Å; L191-F195 PolarHBondContact O-N 3.47Å; F195-T197 PolarHBondContact O-N 3.2Å; F195-T197 VanDerWaalsContact O-N 3.12Å; F195-V198 HydrophobicContact CB-CB 4.2Å; F195-V198 PolarHBondContact O-N 3.39Å; F195-V199 HydrophobicContact CB-CG2 4Å; F195-V199 PolarHBondContact O-N 3.25Å
196P95.8Very high97.8Very high75 Ų7538.1 Ų38.149%0.48720%0.197SC..THydrogen-bonded Turntrans-65.1-22.7-168.626.1-35.7000114.5R192 K194R192-P196 PolarHBondContact NH1-O 2.93Å; R192-P196 VanDerWaalsContact NH1-O 3.15Å; R192-P196 WeakPolarHBondContact O-CA 3.47Å; R192-P196 WeakPolarHBondContact O-CB 3.46Å; K194-P196 VanDerWaalsContact C-CD 3.44Å; K194-P196 WeakPolarHBondContact O-CD 3.14Å
197T94.3Very high97.6Very high82 Ų8232.3 Ų32.350%0.50318%0.175SC..THydrogen-bonded Turntrans-89.6-18.1177.655.20000113.4K167 F195K167-T197 VanDerWaalsContact CE-O 3.28Å; K167-T197 WeakPolarHBondContact CE-O 3.46Å; F195-T197 PolarHBondContact O-N 3.2Å; F195-T197 VanDerWaalsContact O-N 3.12Å
198V97.2Very high97.4Very high9 Ų929.5 Ų29.56%0.05516%0.162CC..THydrogen-bonded Turntrans-105.5-43.3-175.6-176.40000111.4V146 Q150 K167 I168 F195V146-V198 HydrophobicContact CG1-CB 4.44Å; V146-V198 HydrophobicContact CG1-CG1 4.02Å; Q150-V198 HydrophobicContact CB-CG2 4.17Å; Q150-V198 HydrophobicContact CG-CG2 3.97Å; K167-V198 CarbonylContact C-O 3.56Å; K167-V198 VanDerWaalsContact CA-O 3.28Å; K167-V198 WeakPolarHBondContact CA-O 3.47Å; K167-V198 WeakPolarHBondContact CB-O 3.13Å; I168-V198 HydrophobicContact CG1-CG1 4.13Å; I168-V198 PolarHBondContact N-O 2.9Å; F195-V198 HydrophobicContact CB-CB 4.2Å; F195-V198 PolarHBondContact O-N 3.39Å
199V98.6Very high97Very high1 Ų131.8 Ų31.81%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-93.4111-176.11780000110.1V146 I168 L191 R192 F195V146-V199 HydrophobicContact CG1-CG2 3.76Å; V146-V199 HydrophobicContact CG2-CG2 4.08Å; I168-V199 CarbonylContact O-C 3.55Å; I168-V199 WeakPolarHBondContact O-CA 3.02Å; L191-V199 HydrophobicContact CB-CG1 4.32Å; L191-V199 HydrophobicContact CB-CG2 4.23Å; R192-V199 HydrophobicContact CB-CG1 4.21Å; R192-V199 PolarHBondContact NH1-O 3.37Å; F195-V199 HydrophobicContact CB-CG2 4Å; F195-V199 PolarHBondContact O-N 3.25Å
200A98.4Very high96.6Very high5 Ų535.4 Ų35.44%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-78.1-37.6-174.500000113.5K167 I168 I169 P232 F234 T364K167-A200 HydrophobicContact CB-CB 4.39Å; I168-A200 PolarHBondContact O-N 3.13Å; I169-A200 HydrophobicContact CG1-CB 4.07Å; A200-P232 WeakPolarHBondContact O-CG 3Å; A200-F234 HydrophobicContact CB-CE2 4.26Å; A200-F234 HydrophobicContact CB-CZ 4.33Å; A200-T364 HydrophobicContact CB-CG2 4.04Å
201G98.4Very high96.2Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans163.7-150.2-17700000112.7Y170 P232Y170-G201 PolarHBondContact N-O 2.85Å; G201-P232 CarbonylContact C-O 3.55Å; G201-P232 VanDerWaalsContact CA-O 3.23Å; G201-P232 WeakPolarHBondContact CA-O 3.5Å
202F98.8Very high96Very high0 Ų038.5 Ų38.50%021%0.209CC..EExtended strand (participates in β ladder)trans-125.7151.8-172.6-175.1-98.3000114.5Y170 D172 I185 A188 L204 L221 L231 P232 Y233 F234 F235Y170-F202 AromaticContact CD1-CD2 3.71Å; Y170-F202 HydrophobicContact CD1-CD2 3.71Å; Y170-F202 AromaticContact CD1-CE2 3.95Å; Y170-F202 HydrophobicContact CD1-CE2 3.95Å; Y170-F202 HydrophobicContact CE1-CD2 4.19Å; Y170-F202 AromaticContact CE1-CE2 3.97Å; Y170-F202 HydrophobicContact CE1-CE2 3.97Å; Y170-F202 HydrophobicContact CG-CD2 4.5Å; Y170-F202 CarbonylContact O-C 3.5Å; Y170-F202 WeakPolarHBondContact O-CA 3.48Å; Y170-F202 VanDerWaalsContact O-CD2 3.27Å; Y170-F202 WeakPolarHBondContact O-CD2 3.11Å; D172-F202 HydrophobicContact CB-CE2 4.22Å; D172-F202 HydrophobicContact CB-CZ 4.09Å; I185-F202 HydrophobicContact CD1-CB 4.46Å; I185-F202 HydrophobicContact CD1-CD1 3.33Å; I185-F202 HydrophobicContact CD1-CD2 4.33Å; I185-F202 HydrophobicContact CD1-CE1 3.47Å; I185-F202 VanDerWaalsContact CD1-CE1 3.47Å; I185-F202 HydrophobicContact CD1-CE2 4.45Å; I185-F202 HydrophobicContact CD1-CG 3.78Å; I185-F202 HydrophobicContact CD1-CZ 4.06Å; I185-F202 HydrophobicContact CG1-CE1 4.33Å; A188-F202 HydrophobicContact CB-CB 4.01Å; A188-F202 HydrophobicContact CB-CD2 3.85Å; A188-F202 HydrophobicContact CB-CG 4.28Å; F202-L204 HydrophobicContact CE1-CD2 4.01Å; F202-L204 HydrophobicContact CE1-CG 3.91Å; F202-L204 HydrophobicContact CZ-CD2 4.08Å; F202-L204 HydrophobicContact CZ-CG 4.45Å; F202-L221 HydrophobicContact CE1-CD2 4.42Å; F202-L231 HydrophobicContact CB-CD2 3.94Å; F202-L231 HydrophobicContact CB-CG 4.35Å; F202-P232 PolarHBondContact N-O 3.14Å; F202-Y233 HydrophobicContact CB-CD1 3.94Å; F202-Y233 HydrophobicContact CB-CE1 4.02Å; F202-Y233 HydrophobicContact CD1-CD1 4.11Å; F202-Y233 AromaticContact CD1-CE1 3.99Å; F202-Y233 HydrophobicContact CD1-CE1 3.99Å; F202-Y233 HydrophobicContact CG-CE1 4.43Å; F202-Y233 CarbonylContact O-C 3.52Å; F202-Y233 VanDerWaalsContact O-CA 3.31Å; F202-Y233 WeakPolarHBondContact O-CA 3.45Å; F202-F234 PolarHBondContact O-N 3.47Å; F202-F235 HydrophobicContact CD1-CE1 4.39Å
203D98.8Very high95.8Very high0 Ų035.1 Ų35.10%020%0.197CC..EExtended strand (participates in β ladder)trans-146.5158.3175.4175.645000113.2R126 I169 Y170 S171 D172 V205 F234 F235 H236R126-D203 IonicContact CZ-OD2 3.8Å; R126-D203 IonicContact NH1-OD1 3.62Å; R126-D203 PolarHBondContact NH1-OD1 3.02Å; R126-D203 IonicContact NH1-OD2 2.72Å; R126-D203 PolarHBondContact NH1-OD2 3.47Å; I169-D203 HydrophobicContact CG2-CB 3.77Å; Y170-D203 PolarHBondContact O-N 3.3Å; S171-D203 VanDerWaalsContact CA-O 3.29Å; S171-D203 WeakPolarHBondContact CA-O 3.36Å; D172-D203 PolarHBondContact N-O 3.04Å; D203-V205 WeakPolarHBondContact OD2-CG1 3.35Å; D203-F234 HydrophobicContact CB-CB 4.37Å; D203-F234 VanDerWaalsContact OD1-O 3.05Å; D203-F235 WeakPolarHBondContact OD1-CA 3.2Å; D203-H236 PolarHBondContact OD1-N 3.34Å; D203-H236 IonicContact OD1-ND1 3.48Å; D203-H236 PolarHBondContact OD1-ND1 3.38Å; D203-H236 IonicContact OD2-CE1 2.71Å; D203-H236 PolarHBondContact OD2-CE1 3.14Å; D203-H236 IonicContact OD2-ND1 2.66Å; D203-H236 PolarHBondContact OD2-ND1 3.15Å
204L98.1Very high95.8Very high1 Ų129.2 Ų29.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-113115.1170.1-73.9169.3000110.4D172 R174 I181 F202 L214 Y217 L221 F235 H236D172-L204 WeakPolarHBondContact O-CA 3.28Å; R174-L204 HydrophobicContact CB-CB 4.49Å; R174-L204 PolarHBondContact NH2-O 3.43Å; R174-L204 VanDerWaalsContact NH2-O 3.1Å; I181-L204 HydrophobicContact CD1-CD2 3.81Å; I181-L204 HydrophobicContact CG1-CD2 4.38Å; I181-L204 HydrophobicContact CG2-CD2 4.25Å; F202-L204 HydrophobicContact CE1-CD2 4.01Å; F202-L204 HydrophobicContact CE1-CG 3.91Å; F202-L204 HydrophobicContact CZ-CD2 4.08Å; F202-L204 HydrophobicContact CZ-CG 4.45Å; L204-L214 HydrophobicContact CD1-CD2 3.61Å; L204-Y217 HydrophobicContact CD1-CD2 3.59Å; L204-Y217 HydrophobicContact CD1-CE2 4Å; L204-Y217 HydrophobicContact CD1-CG 4.44Å; L204-Y217 HydrophobicContact CD2-CE2 4.47Å; L204-L221 HydrophobicContact CD1-CD1 4.45Å; L204-L221 HydrophobicContact CD1-CD2 4.39Å; L204-F235 HydrophobicContact CB-CD1 4.37Å; L204-F235 HydrophobicContact CD1-CD1 4.45Å; L204-F235 HydrophobicContact CD1-CE1 4.2Å; L204-F235 HydrophobicContact CG-CD1 4.47Å; L204-F235 HydrophobicContact CG-CE1 4.34Å; L204-H236 WeakPolarHBondContact O-CB 3.12Å
205V97.4Very high95.7Very high25 Ų2527.8 Ų27.815%0.15216%0.162CC..EExtended strand (participates in β ladder)trans-106.5172-177.9-61.80000112.1R128 D172 R174 D203R128-V205 HydrophobicContact CG-CG2 4.39Å; D172-V205 WeakPolarHBondContact O-CG2 3.4Å; D172-V205 PolarHBondContact O-N 3.06Å; R174-V205 WeakPolarHBondContact CG-O 3.5Å; R174-V205 PolarHBondContact N-O 3.03Å; D203-V205 WeakPolarHBondContact OD2-CG1 3.35Å
206G95.3Very high95.7Very high13 Ų1330.1 Ų30.113%0.13418%0.176CC..SBendtrans105.7170.6178.400000112.5H173 R174 E208H173-G206 WeakPolarHBondContact NE2-CA 3.36Å; R174-G206 PolarHBondContact NE-O 2.86Å; G206-E208 PolarHBondContact O-N 3.42Å
207H94.9Very high95.8Very high10 Ų1026.6 Ų26.65%0.04615%0.152CC..  trans-58.4112.4-173.3-173-156.3000111.6N81 W84 T210 G211N81-H207 PolarHBondContact OD1-CE1 3.48Å; W84-H207 HydrophobicContact CB-CB 4.43Å; W84-H207 AromaticContact CD1-CD2 3.38Å; W84-H207 AromaticContact CD1-CE1 3.82Å; W84-H207 AromaticContact CD1-CG 3.89Å; W84-H207 AromaticContact CD1-NE2 3.35Å; W84-H207 VanDerWaalsContact CD1-NE2 3.35Å; W84-H207 HydrophobicContact CD2-CB 3.65Å; W84-H207 AromaticContact CD2-CD2 3.5Å; W84-H207 AromaticContact CD2-CG 3.57Å; W84-H207 AromaticContact CE2-CD2 3.3Å; W84-H207 AromaticContact CE2-CG 3.87Å; W84-H207 HydrophobicContact CE3-CB 3.53Å; W84-H207 HydrophobicContact CG-CB 4.07Å; W84-H207 AromaticContact CG-CD2 3.54Å; W84-H207 AromaticContact CG-CG 3.58Å; W84-H207 AromaticContact CG-ND1 3.89Å; W84-H207 AromaticContact CG-NE2 3.84Å; W84-H207 HydrophobicContact CH2-CB 4.45Å; W84-H207 AromaticContact CZ2-CD2 3.91Å; W84-H207 HydrophobicContact CZ3-CB 3.98Å; W84-H207 AromaticContact NE1-CD2 3.23Å; W84-H207 PolarHBondContact NE1-CD2 3.42Å; W84-H207 AromaticContact NE1-NE2 3.49Å; W84-H207 PolarHBondContact NE1-NE2 3.08Å; H207-T210 PolarHBondContact ND1-OG1 3.44Å; H207-G211 PolarHBondContact O-N 3.37Å
208E93.6Very high95.8Very high0 Ų027.2 Ų27.20%015%0.148CC..THydrogen-bonded Turntrans-64.1-47.4-169.5167.5147.7-106.700112.7R174 G206 T210 G211 A237 G238 E239 I247 N250R174-E208 IonicContact CZ-OE1 2.84Å; R174-E208 VanDerWaalsContact NH1-CA 3.32Å; R174-E208 VanDerWaalsContact NH1-CB 3.26Å; R174-E208 IonicContact NH1-OE1 2.74Å; R174-E208 PolarHBondContact NH1-OE1 3.25Å; R174-E208 IonicContact NH2-OE1 3.89Å; G206-E208 PolarHBondContact O-N 3.42Å; E208-T210 VanDerWaalsContact C-N 3.27Å; E208-T210 PolarHBondContact O-N 3.17Å; E208-G211 PolarHBondContact O-N 2.81Å; E208-A237 WeakPolarHBondContact OE1-CA 3.31Å; E208-G238 WeakPolarHBondContact OE2-CA 3.37Å; E208-G238 PolarHBondContact OE2-N 3.46Å; E208-E239 HydrophobicContact CB-CB 4.49Å; E208-E239 PolarHBondContact OE2-N 3Å; E208-I247 HydrophobicContact CB-CG2 4.38Å; E208-I247 HydrophobicContact CG-CG2 3.1Å; E208-I247 WeakPolarHBondContact O-CD1 3.49Å; E208-N250 PolarHBondContact OE1-ND2 3.11Å
209D90.9Very high95.8Very high48 Ų4832 Ų3226%0.25717%0.17SC..THydrogen-bonded Turntrans-61.8-29.4-174.9-88.2-1.1000114.5T240D209-T240 WeakPolarHBondContact OD1-CB 3.18Å; D209-T240 PolarHBondContact OD1-OG1 3.08Å
210T89.9Confident95.8Very high96 Ų9632 Ų3259%0.58917%0.17SC*.THydrogen-bonded Turntrans-106.1-3.3-177.258.30000114H207 E208H207-T210 PolarHBondContact ND1-OG1 3.44Å; E208-T210 VanDerWaalsContact C-N 3.27Å; E208-T210 PolarHBondContact O-N 3.17Å
211G88.8Confident95.8Very high18 Ų1831.9 Ų31.919%0.18617%0.169CC..SBendtrans-91.5-179.2-178.900000113.7H207 E208H207-G211 PolarHBondContact O-N 3.37Å; E208-G211 PolarHBondContact O-N 2.81Å
212H94.3Very high95.8Very high74 Ų7435.6 Ų35.634%0.34319%0.187SC..  trans-73.5144.3168.3-61.4130.7000110.7R174 K176 D216 Y217R174-H212 WeakPolarHBondContact O-CB 3.43Å; R174-H212 PolarHBondContact O-N 3.39Å; R174-H212 VanDerWaalsContact O-N 3.12Å; R174-H212 PolarHBondContact O-ND1 3.39Å; K176-H212 PolarHBondContact O-ND1 3.31Å; H212-D216 HydrophobicContact CB-CB 4.08Å; H212-Y217 HydrophobicContact CB-CD2 4.37Å; H212-Y217 HydrophobicContact CB-CE1 4.32Å; H212-Y217 HydrophobicContact CB-CE2 3.49Å; H212-Y217 VanDerWaalsContact CB-CE2 3.49Å; H212-Y217 VanDerWaalsContact CB-CZ 3.47Å; H212-Y217 WeakPolarHBondContact CB-OH 3.4Å; H212-Y217 AromaticContact CG-CZ 3.9Å; H212-Y217 AromaticContact ND1-CZ 3.63Å; H212-Y217 PolarHBondContact ND1-OH 3.03Å
213S95.4Very high95.7Very high5 Ų536.3 Ų36.34%0.03519%0.191CC..  trans-73164.2173.468.60000111.7H215 D216 Y217 N250S213-H215 PolarHBondContact O-N 2.87Å; S213-H215 PolarHBondContact OG-N 2.98Å; S213-D216 WeakPolarHBondContact CB-OD2 3.28Å; S213-D216 PolarHBondContact N-OD2 3.39Å; S213-D216 WeakPolarHBondContact O-CB 3.5Å; S213-D216 PolarHBondContact O-N 3.26Å; S213-D216 PolarHBondContact OG-N 2.97Å; S213-D216 PolarHBondContact OG-OD2 3.38Å; S213-Y217 WeakPolarHBondContact O-CD2 3.29Å; S213-N250 WeakPolarHBondContact CA-OD1 3.46Å; S213-N250 VanDerWaalsContact CB-OD1 3.3Å; S213-N250 WeakPolarHBondContact CB-OD1 3.4Å
214L96.9Very high95.7Very high3 Ų336.5 Ų36.52%0.01619%0.192CC..THydrogen-bonded Turntrans-61.2-33.4171.2-62.3-175.1000111.4L204 D216 Y217 K218 L221 F235 N250 D253 A254L204-L214 HydrophobicContact CD1-CD2 3.61Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.83Å; L214-Y217 CarbonylContact O-C 3.59Å; L214-Y217 PolarHBondContact O-N 3.35Å; L214-Y217 VanDerWaalsContact O-N 3.15Å; L214-K218 PolarHBondContact O-N 3.4Å; L214-L221 HydrophobicContact CB-CD1 4.26Å; L214-L221 HydrophobicContact CD2-CD1 4.17Å; L214-F235 HydrophobicContact CD1-CB 4.04Å; L214-F235 HydrophobicContact CD1-CD1 4.49Å; L214-F235 HydrophobicContact CD1-CD2 3.85Å; L214-F235 HydrophobicContact CD1-CE2 4.43Å; L214-F235 HydrophobicContact CD1-CG 3.88Å; L214-F235 HydrophobicContact CD2-CB 4.39Å; L214-F235 HydrophobicContact CD2-CD1 3.7Å; L214-F235 HydrophobicContact CD2-CD2 4.43Å; L214-F235 HydrophobicContact CD2-CE1 4.03Å; L214-F235 HydrophobicContact CD2-CG 3.93Å; L214-N250 HydrophobicContact CD1-CB 4.23Å; L214-N250 WeakPolarHBondContact CD1-O 3.22Å; L214-N250 HydrophobicContact CG-CB 4.17Å; L214-N250 PolarHBondContact N-OD1 2.91Å; L214-D253 HydrophobicContact CB-CB 3.83Å; L214-D253 HydrophobicContact CD1-CB 4.21Å; L214-A254 HydrophobicContact CD1-CB 3.72Å
215H96.5Very high95.7Very high88 Ų8839.5 Ų39.541%0.40722%0.217SC..THydrogen-bonded Turntrans-61.1-38176.1-166.381.8000112.8S213 Y217 K218S213-H215 PolarHBondContact O-N 2.87Å; S213-H215 PolarHBondContact OG-N 2.98Å; H215-Y217 PolarHBondContact O-N 3.18Å; H215-K218 PolarHBondContact NE2-NZ 2.76Å; H215-K218 VanDerWaalsContact O-CB 3.3Å; H215-K218 WeakPolarHBondContact O-CB 3.5Å; H215-K218 WeakPolarHBondContact O-CD 3.44Å; H215-K218 VanDerWaalsContact O-CG 3.29Å; H215-K218 WeakPolarHBondContact O-CG 3.37Å; H215-K218 PolarHBondContact O-N 2.78Å; H215-K218 VanDerWaalsContact O-N 3.09Å
216D96.8Very high95.7Very high80 Ų8044.4 Ų44.443%0.42824%0.236SC..THydrogen-bonded Turntrans-62.6-28.9178.4-60.4-44000111.3H212 S213 L214H212-D216 HydrophobicContact CB-CB 4.08Å; S213-D216 WeakPolarHBondContact CB-OD2 3.28Å; S213-D216 PolarHBondContact N-OD2 3.39Å; S213-D216 WeakPolarHBondContact O-CB 3.5Å; S213-D216 PolarHBondContact O-N 3.26Å; S213-D216 PolarHBondContact OG-N 2.97Å; S213-D216 PolarHBondContact OG-OD2 3.38Å; L214-D216 VanDerWaalsContact C-N 3.3Å; L214-D216 PolarHBondContact O-N 2.83Å
217Y97.4Very high95.8Very high0 Ų048.5 Ų48.50%026%0.255CS..THydrogen-bonded Turntrans-96.18.1177.2-58.7-57.8000114.5R174 K176 V178 I181 L204 H212 S213 L214 H215 E219 A220 L221R174-Y217 VanDerWaalsContact C-OH 3.24Å; R174-Y217 HydrophobicContact CB-CE2 4.49Å; R174-Y217 PolarHBondContact O-OH 2.89Å; K176-Y217 PolarHBondContact O-OH 2.96Å; V178-Y217 HydrophobicContact CB-CD1 4.3Å; V178-Y217 HydrophobicContact CG1-CD1 4.4Å; V178-Y217 HydrophobicContact CG2-CD1 3.9Å; V178-Y217 HydrophobicContact CG2-CE1 4.02Å; I181-Y217 HydrophobicContact CB-CD1 3.91Å; I181-Y217 HydrophobicContact CB-CE1 3.98Å; I181-Y217 HydrophobicContact CG1-CD1 3.89Å; I181-Y217 HydrophobicContact CG1-CE1 3.45Å; I181-Y217 VanDerWaalsContact CG1-CE1 3.45Å; I181-Y217 HydrophobicContact CG1-CE2 4.46Å; I181-Y217 HydrophobicContact CG2-CD1 3.99Å; I181-Y217 HydrophobicContact CG2-CE1 4.42Å; I181-Y217 HydrophobicContact CG2-CG 4.15Å; L204-Y217 HydrophobicContact CD1-CD2 3.59Å; L204-Y217 HydrophobicContact CD1-CE2 4Å; L204-Y217 HydrophobicContact CD1-CG 4.44Å; L204-Y217 HydrophobicContact CD2-CE2 4.47Å; H212-Y217 HydrophobicContact CB-CD2 4.37Å; H212-Y217 HydrophobicContact CB-CE1 4.32Å; H212-Y217 HydrophobicContact CB-CE2 3.49Å; H212-Y217 VanDerWaalsContact CB-CE2 3.49Å; H212-Y217 VanDerWaalsContact CB-CZ 3.47Å; H212-Y217 WeakPolarHBondContact CB-OH 3.4Å; H212-Y217 AromaticContact CG-CZ 3.9Å; H212-Y217 AromaticContact ND1-CZ 3.63Å; H212-Y217 PolarHBondContact ND1-OH 3.03Å; S213-Y217 WeakPolarHBondContact O-CD2 3.29Å; L214-Y217 CarbonylContact O-C 3.59Å; L214-Y217 PolarHBondContact O-N 3.35Å; L214-Y217 VanDerWaalsContact O-N 3.15Å; H215-Y217 PolarHBondContact O-N 3.18Å; Y217-E219 PolarHBondContact O-N 2.51Å; Y217-A220 WeakPolarHBondContact O-CA 3.28Å; Y217-A220 WeakPolarHBondContact O-CB 3.45Å; Y217-A220 PolarHBondContact O-N 2.6Å; Y217-L221 WeakPolarHBondContact O-CG 3.45Å; Y217-L221 PolarHBondContact O-N 2.6Å
218K96.1Very high95.8Very high96 Ų9651.4 Ų51.442%0.41729%0.287SS..Hα-helixtrans-49.1-40.8-173.167.8-169.2172.8-167.40113.8L214 H215 M222L214-K218 PolarHBondContact O-N 3.4Å; H215-K218 PolarHBondContact NE2-NZ 2.76Å; H215-K218 VanDerWaalsContact O-CB 3.3Å; H215-K218 WeakPolarHBondContact O-CB 3.5Å; H215-K218 WeakPolarHBondContact O-CD 3.44Å; H215-K218 VanDerWaalsContact O-CG 3.29Å; H215-K218 WeakPolarHBondContact O-CG 3.37Å; H215-K218 PolarHBondContact O-N 2.78Å; H215-K218 VanDerWaalsContact O-N 3.09Å; K218-M222 VanDerWaalsContact O-CB 3.27Å; K218-M222 WeakPolarHBondContact O-CB 3.4Å; K218-M222 WeakPolarHBondContact O-CG 3.37Å; K218-M222 PolarHBondContact O-N 3.26Å
219E96.6Very high95.9Very high108 Ų10853.9 Ų53.951%0.50530%0.303SS..Hα-helixtrans-67.7-38.8179.9-66.1-52.8137.800112.4Y217 K226Y217-E219 PolarHBondContact O-N 2.51Å; E219-K226 IonicContact OE2-NZ 3.9Å; E219-K226 PolarHBondContact OE2-NZ 3.07Å
220A98.2Very high96.1Very high2 Ų260.8 Ų60.82%0.01733%0.33CS..Hα-helixtrans-69.7-46.5175.700000111.4I181 A182 Y217 M222 I223I181-A220 HydrophobicContact CG2-CB 4.21Å; A182-A220 HydrophobicContact CB-CB 3.82Å; Y217-A220 WeakPolarHBondContact O-CA 3.28Å; Y217-A220 WeakPolarHBondContact O-CB 3.45Å; Y217-A220 PolarHBondContact O-N 2.6Å; A220-M222 PolarHBondContact O-N 3.29Å; A220-I223 VanDerWaalsContact O-CB 3.32Å; A220-I223 WeakPolarHBondContact O-CB 3.33Å; A220-I223 WeakPolarHBondContact O-CD1 3.36Å; A220-I223 VanDerWaalsContact O-CG1 3.26Å; A220-I223 WeakPolarHBondContact O-CG1 3.49Å; A220-I223 PolarHBondContact O-N 2.96Å; A220-I223 VanDerWaalsContact O-N 3.12Å
221L98.4Very high96.5Very high2 Ų256.9 Ų56.91%0.0131%0.306CS..Hα-helixtrans-68.6-20.9-178.4-60-179.6000112.8I185 F202 L204 L214 Y217 P224 Y233 F235 L257I185-L221 HydrophobicContact CD1-CD2 3.75Å; I185-L221 HydrophobicContact CG1-CD2 4.25Å; F202-L221 HydrophobicContact CE1-CD2 4.42Å; L204-L221 HydrophobicContact CD1-CD1 4.45Å; L204-L221 HydrophobicContact CD1-CD2 4.39Å; L214-L221 HydrophobicContact CB-CD1 4.26Å; L214-L221 HydrophobicContact CD2-CD1 4.17Å; Y217-L221 WeakPolarHBondContact O-CG 3.45Å; Y217-L221 PolarHBondContact O-N 2.6Å; L221-P224 WeakPolarHBondContact O-CD 3.49Å; L221-Y233 PolarHBondContact O-OH 3.38Å; L221-F235 HydrophobicContact CD1-CE1 4.29Å; L221-F235 HydrophobicContact CD1-CZ 3.92Å; L221-F235 HydrophobicContact CD2-CE1 4.06Å; L221-F235 HydrophobicContact CD2-CZ 3.91Å; L221-F235 HydrophobicContact CG-CZ 4.43Å; L221-L257 HydrophobicContact CB-CD1 4.1Å; L221-L257 HydrophobicContact CB-CD2 4.2Å; L221-L257 HydrophobicContact CD1-CD1 3.6Å; L221-L257 HydrophobicContact CG-CD1 4.47Å
222M97.8Very high96.9Very high78 Ų7857.1 Ų57.138%0.38430%0.304SS..THydrogen-bonded Turntrans-86.7-6174.6-69.5-60.1-64.300114K218 A220 A225 K226 L257K218-M222 VanDerWaalsContact O-CB 3.27Å; K218-M222 WeakPolarHBondContact O-CB 3.4Å; K218-M222 WeakPolarHBondContact O-CG 3.37Å; K218-M222 PolarHBondContact O-N 3.26Å; A220-M222 PolarHBondContact O-N 3.29Å; M222-A225 HydrophobicContact CE-CB 4.03Å; M222-A225 PolarHBondContact O-N 2.77Å; M222-K226 WeakPolarHBondContact O-CG 3.38Å; M222-K226 PolarHBondContact O-N 3.06Å; M222-L257 HydrophobicContact SD-CD2 3.75Å
223I98.5Very high97.1Very high16 Ų1654.1 Ų54.18%0.08229%0.29CS..Hα-helixtrans-52.8-50.6178.3-68.9168000112.1A182 I185 R186 M189 A220 A225 K226 D227A182-I223 HydrophobicContact CB-CD1 3.77Å; I185-I223 HydrophobicContact CG2-CB 4.15Å; I185-I223 HydrophobicContact CG2-CG2 4.49Å; R186-I223 HydrophobicContact CG-CG2 4.41Å; M189-I223 HydrophobicContact SD-CG2 4.16Å; A220-I223 VanDerWaalsContact O-CB 3.32Å; A220-I223 WeakPolarHBondContact O-CB 3.33Å; A220-I223 WeakPolarHBondContact O-CD1 3.36Å; A220-I223 VanDerWaalsContact O-CG1 3.26Å; A220-I223 WeakPolarHBondContact O-CG1 3.49Å; A220-I223 PolarHBondContact O-N 2.96Å; A220-I223 VanDerWaalsContact O-N 3.12Å; I223-A225 VanDerWaalsContact C-N 3.3Å; I223-A225 PolarHBondContact O-N 3.4Å; I223-K226 PolarHBondContact O-N 3.22Å; I223-K226 VanDerWaalsContact O-N 3.14Å; I223-D227 WeakPolarHBondContact CG2-OD2 3.35Å; I223-D227 WeakPolarHBondContact O-CB 3.49Å; I223-D227 PolarHBondContact O-N 2.86Å
224P98.2Very high97.3Very high3 Ų354 Ų542%0.01929%0.288CS..Hα-helixtrans-60.5-41.8-177.4-22.634.5000111.9I185 M189 L221 D227 G228 V229 L231 Y233I185-P224 HydrophobicContact CG2-CG 3.68Å; M189-P224 HydrophobicContact CG-CG 4.25Å; M189-P224 HydrophobicContact SD-CB 4.08Å; M189-P224 HydrophobicContact SD-CG 3.77Å; L221-P224 WeakPolarHBondContact O-CD 3.49Å; P224-D227 CarbonylContact O-C 3.51Å; P224-D227 PolarHBondContact O-N 3.18Å; P224-G228 PolarHBondContact O-N 3.07Å; P224-V229 CarbonylContact C-O 3.58Å; P224-V229 HydrophobicContact CB-CB 4.38Å; P224-V229 VanDerWaalsContact CB-O 3.22Å; P224-V229 WeakPolarHBondContact CB-O 3.45Å; P224-V229 PolarHBondContact O-N 3.09Å; P224-L231 HydrophobicContact CB-CB 3.82Å; P224-L231 HydrophobicContact CG-CB 3.82Å; P224-L231 HydrophobicContact CG-CD2 3.83Å; P224-L231 HydrophobicContact CG-CG 4.49Å; P224-Y233 WeakPolarHBondContact CG-OH 3.41Å
225A97Very high97.4Very high64 Ų6453.8 Ų53.853%0.52929%0.288SS..Hα-helixtrans-65.1-40.617800000112.4M222 I223 D227 G228M222-A225 HydrophobicContact CE-CB 4.03Å; M222-A225 PolarHBondContact O-N 2.77Å; I223-A225 VanDerWaalsContact C-N 3.3Å; I223-A225 PolarHBondContact O-N 3.4Å; A225-D227 VanDerWaalsContact C-N 3.28Å; A225-D227 PolarHBondContact O-N 3.21Å; A225-G228 PolarHBondContact O-N 3.14Å
226K97.3Very high97.5Very high128 Ų12850.2 Ų50.256%0.55727%0.271SS*.Hα-helixtrans-63.9-34.6175.4-70.6174.2-176.7175.10111.9E219 M222 I223 G228E219-K226 IonicContact OE2-NZ 3.9Å; E219-K226 PolarHBondContact OE2-NZ 3.07Å; M222-K226 WeakPolarHBondContact O-CG 3.38Å; M222-K226 PolarHBondContact O-N 3.06Å; I223-K226 PolarHBondContact O-N 3.22Å; I223-K226 VanDerWaalsContact O-N 3.14Å; K226-G228 VanDerWaalsContact C-N 3.32Å
227D97.5Very high97.5Very high100 Ų10046.4 Ų46.454%0.53525%0.251SS..THydrogen-bonded Turntrans-87.71.8179.4-64.8-7.1000113.1M189 I223 P224 A225 V229M189-D227 HydrophobicContact CE-CB 4.25Å; I223-D227 WeakPolarHBondContact CG2-OD2 3.35Å; I223-D227 WeakPolarHBondContact O-CB 3.49Å; I223-D227 PolarHBondContact O-N 2.86Å; P224-D227 CarbonylContact O-C 3.51Å; P224-D227 PolarHBondContact O-N 3.18Å; A225-D227 VanDerWaalsContact C-N 3.28Å; A225-D227 PolarHBondContact O-N 3.21Å; D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 HydrophobicContact CB-CG2 4.37Å; D227-V229 PolarHBondContact O-N 3.47Å
228G96.4Very high97.4Very high70 Ų7046.4 Ų46.472%0.72225%0.251SS*.THydrogen-bonded Turntrans71.217.2-178.400000114.6P224 A225 K226P224-G228 PolarHBondContact O-N 3.07Å; A225-G228 PolarHBondContact O-N 3.14Å; K226-G228 VanDerWaalsContact C-N 3.32Å
229V95.6Very high97.4Very high53 Ų5342.1 Ų42.132%0.32123%0.232SC..  trans-100.4130.8-179.9178.80000110.7M189 P224 D227 L231M189-V229 HydrophobicContact CE-CB 3.84Å; M189-V229 HydrophobicContact CE-CG1 4.09Å; M189-V229 HydrophobicContact CE-CG2 3.77Å; M189-V229 HydrophobicContact CG-CG1 4.32Å; P224-V229 CarbonylContact C-O 3.58Å; P224-V229 HydrophobicContact CB-CB 4.38Å; P224-V229 VanDerWaalsContact CB-O 3.22Å; P224-V229 WeakPolarHBondContact CB-O 3.45Å; P224-V229 PolarHBondContact O-N 3.09Å; D227-V229 VanDerWaalsContact C-N 3.27Å; D227-V229 HydrophobicContact CB-CG2 4.37Å; D227-V229 PolarHBondContact O-N 3.47Å; V229-L231 PolarHBondContact O-N 2.94Å
230K94.4Very high97Very high192 Ų19237 Ų3784%0.83521%0.208SC*.  trans-87.8101.2172.7-173177.4179.4-179.70110.6
231L97.9Very high96.1Very high14 Ų1439.1 Ų39.17%0.07322%0.219CC..  trans-99.4116.6169.9-178.162.7000110.1I185 A188 M189 F202 P224 V229 Y233I185-L231 HydrophobicContact CD1-CD2 4.27Å; I185-L231 HydrophobicContact CG2-CD2 4.29Å; A188-L231 HydrophobicContact CB-CD1 4.18Å; A188-L231 HydrophobicContact CB-CD2 3.99Å; M189-L231 HydrophobicContact CG-CD2 4.23Å; F202-L231 HydrophobicContact CB-CD2 3.94Å; F202-L231 HydrophobicContact CB-CG 4.35Å; P224-L231 HydrophobicContact CB-CB 3.82Å; P224-L231 HydrophobicContact CG-CB 3.82Å; P224-L231 HydrophobicContact CG-CD2 3.83Å; P224-L231 HydrophobicContact CG-CG 4.49Å; V229-L231 PolarHBondContact O-N 2.94Å; L231-Y233 HydrophobicContact CD2-CE1 3.7Å; L231-Y233 HydrophobicContact CG-CE1 4.09Å
232P98.3Very high95.5Very high23 Ų2347.3 Ų47.315%0.14925%0.25CS..  trans-65.8138.8171.3-22.635.7000111.6A200 G201 F202 F234A200-P232 WeakPolarHBondContact O-CG 3Å; G201-P232 CarbonylContact C-O 3.55Å; G201-P232 VanDerWaalsContact CA-O 3.23Å; G201-P232 WeakPolarHBondContact CA-O 3.5Å; F202-P232 PolarHBondContact N-O 3.14Å; P232-F234 HydrophobicContact CB-CE2 3.86Å; P232-F234 HydrophobicContact CB-CZ 4.1Å
233Y98.8Very high95Very high12 Ų1249.5 Ų49.55%0.04726%0.26CS..BIsolated β-bridgetrans-112.8151.5175.5-66.6-56000112.1I185 F202 L221 P224 L231 F235 L257 T259 T260I185-Y233 HydrophobicContact CD1-CE1 3.8Å; F202-Y233 HydrophobicContact CB-CD1 3.94Å; F202-Y233 HydrophobicContact CB-CE1 4.02Å; F202-Y233 HydrophobicContact CD1-CD1 4.11Å; F202-Y233 AromaticContact CD1-CE1 3.99Å; F202-Y233 HydrophobicContact CD1-CE1 3.99Å; F202-Y233 HydrophobicContact CG-CE1 4.43Å; F202-Y233 CarbonylContact O-C 3.52Å; F202-Y233 VanDerWaalsContact O-CA 3.31Å; F202-Y233 WeakPolarHBondContact O-CA 3.45Å; L221-Y233 PolarHBondContact O-OH 3.38Å; P224-Y233 WeakPolarHBondContact CG-OH 3.41Å; L231-Y233 HydrophobicContact CD2-CE1 3.7Å; L231-Y233 HydrophobicContact CG-CE1 4.09Å; Y233-F235 AromaticContact CD1-CE1 3.96Å; Y233-F235 HydrophobicContact CD1-CE1 3.96Å; Y233-F235 HydrophobicContact CD1-CE2 4.04Å; Y233-F235 AromaticContact CD1-CZ 3.41Å; Y233-F235 HydrophobicContact CD1-CZ 3.41Å; Y233-F235 VanDerWaalsContact CD1-CZ 3.41Å; Y233-F235 AromaticContact CD2-CE2 3.74Å; Y233-F235 HydrophobicContact CD2-CE2 3.74Å; Y233-F235 AromaticContact CD2-CZ 3.82Å; Y233-F235 HydrophobicContact CD2-CZ 3.82Å; Y233-F235 AromaticContact CE1-CZ 3.93Å; Y233-F235 HydrophobicContact CE1-CZ 3.93Å; Y233-F235 HydrophobicContact CE2-CE2 4.49Å; Y233-F235 HydrophobicContact CE2-CZ 4.26Å; Y233-F235 HydrophobicContact CG-CD2 4.39Å; Y233-F235 HydrophobicContact CG-CE1 4.22Å; Y233-F235 AromaticContact CG-CE2 3.47Å; Y233-F235 HydrophobicContact CG-CE2 3.47Å; Y233-F235 VanDerWaalsContact CG-CE2 3.47Å; Y233-F235 AromaticContact CG-CZ 3.36Å; Y233-F235 HydrophobicContact CG-CZ 3.36Å; Y233-L257 HydrophobicContact CD2-CB 4.3Å; Y233-T259 PolarHBondContact O-OG1 3.49Å; Y233-T260 WeakPolarHBondContact O-CB 3.33Å; Y233-T260 PolarHBondContact O-N 3.4Å
234F98.6Very high94.4Very high1 Ų151.4 Ų51.40%0.00428%0.283CS..  trans-134.638.1-177.9-60-90.1000112.8R126 I169 A200 F202 D203 P232 H236 T260 R261 T364R126-F234 PolarHBondContact NH1-O 2.91Å; R126-F234 PolarHBondContact NH2-O 2.68Å; R126-F234 VanDerWaalsContact NH2-O 3.08Å; I169-F234 HydrophobicContact CD1-CB 4.16Å; I169-F234 HydrophobicContact CD1-CD1 3.99Å; I169-F234 HydrophobicContact CD1-CD2 4.07Å; I169-F234 HydrophobicContact CD1-CE1 4.45Å; I169-F234 HydrophobicContact CD1-CG 3.79Å; I169-F234 HydrophobicContact CG1-CD2 4.05Å; I169-F234 HydrophobicContact CG1-CE2 4.3Å; I169-F234 HydrophobicContact CG1-CG 4.3Å; I169-F234 HydrophobicContact CG2-CB 4.11Å; I169-F234 HydrophobicContact CG2-CD2 3.74Å; I169-F234 HydrophobicContact CG2-CG 4.16Å; A200-F234 HydrophobicContact CB-CE2 4.26Å; A200-F234 HydrophobicContact CB-CZ 4.33Å; F202-F234 PolarHBondContact O-N 3.47Å; D203-F234 HydrophobicContact CB-CB 4.37Å; D203-F234 VanDerWaalsContact OD1-O 3.05Å; P232-F234 HydrophobicContact CB-CE2 3.86Å; P232-F234 HydrophobicContact CB-CZ 4.1Å; F234-H236 PolarHBondContact O-N 3.36Å; F234-T260 HydrophobicContact CD1-CG2 4.49Å; F234-T260 HydrophobicContact CE1-CG2 3.64Å; F234-T260 HydrophobicContact CZ-CG2 4Å; F234-R261 CarbonylContact C-O 3.48Å; F234-R261 WeakPolarHBondContact CA-O 3.29Å; F234-R261 HydrophobicContact CD1-CB 4.27Å; F234-R261 HydrophobicContact CD1-CG 4.37Å; F234-T364 HydrophobicContact CE1-CG2 3.53Å; F234-T364 HydrophobicContact CZ-CG2 3.36Å
235F98.6Very high93.9Very high0 Ų053.7 Ų53.70%030%0.297CS..  trans-52.4130.1-164.2-64.2-56.5000114.2F202 D203 L204 L214 L221 Y233 A237 A254 L257 T259 I262 G263F202-F235 HydrophobicContact CD1-CE1 4.39Å; D203-F235 WeakPolarHBondContact OD1-CA 3.2Å; L204-F235 HydrophobicContact CB-CD1 4.37Å; L204-F235 HydrophobicContact CD1-CD1 4.45Å; L204-F235 HydrophobicContact CD1-CE1 4.2Å; L204-F235 HydrophobicContact CG-CD1 4.47Å; L204-F235 HydrophobicContact CG-CE1 4.34Å; L214-F235 HydrophobicContact CD1-CB 4.04Å; L214-F235 HydrophobicContact CD1-CD1 4.49Å; L214-F235 HydrophobicContact CD1-CD2 3.85Å; L214-F235 HydrophobicContact CD1-CE2 4.43Å; L214-F235 HydrophobicContact CD1-CG 3.88Å; L214-F235 HydrophobicContact CD2-CB 4.39Å; L214-F235 HydrophobicContact CD2-CD1 3.7Å; L214-F235 HydrophobicContact CD2-CD2 4.43Å; L214-F235 HydrophobicContact CD2-CE1 4.03Å; L214-F235 HydrophobicContact CD2-CG 3.93Å; L221-F235 HydrophobicContact CD1-CE1 4.29Å; L221-F235 HydrophobicContact CD1-CZ 3.92Å; L221-F235 HydrophobicContact CD2-CE1 4.06Å; L221-F235 HydrophobicContact CD2-CZ 3.91Å; L221-F235 HydrophobicContact CG-CZ 4.43Å; Y233-F235 AromaticContact CD1-CE1 3.96Å; Y233-F235 HydrophobicContact CD1-CE1 3.96Å; Y233-F235 HydrophobicContact CD1-CE2 4.04Å; Y233-F235 AromaticContact CD1-CZ 3.41Å; Y233-F235 HydrophobicContact CD1-CZ 3.41Å; Y233-F235 VanDerWaalsContact CD1-CZ 3.41Å; Y233-F235 AromaticContact CD2-CE2 3.74Å; Y233-F235 HydrophobicContact CD2-CE2 3.74Å; Y233-F235 AromaticContact CD2-CZ 3.82Å; Y233-F235 HydrophobicContact CD2-CZ 3.82Å; Y233-F235 AromaticContact CE1-CZ 3.93Å; Y233-F235 HydrophobicContact CE1-CZ 3.93Å; Y233-F235 HydrophobicContact CE2-CE2 4.49Å; Y233-F235 HydrophobicContact CE2-CZ 4.26Å; Y233-F235 HydrophobicContact CG-CD2 4.39Å; Y233-F235 HydrophobicContact CG-CE1 4.22Å; Y233-F235 AromaticContact CG-CE2 3.47Å; Y233-F235 HydrophobicContact CG-CE2 3.47Å; Y233-F235 VanDerWaalsContact CG-CE2 3.47Å; Y233-F235 AromaticContact CG-CZ 3.36Å; Y233-F235 HydrophobicContact CG-CZ 3.36Å; F235-A237 PolarHBondContact O-N 3.21Å; F235-A254 HydrophobicContact CB-CB 4.2Å; F235-A254 HydrophobicContact CD2-CB 4.01Å; F235-L257 HydrophobicContact CE2-CB 4.02Å; F235-L257 HydrophobicContact CE2-CD1 3.66Å; F235-L257 HydrophobicContact CZ-CD1 4.1Å; F235-T259 PolarHBondContact N-OG1 3.15Å; F235-I262 WeakPolarHBondContact O-CA 3.49Å; F235-G263 PolarHBondContact O-N 3.37Å
236H98.3Very high93.4Very high13 Ų1354.4 Ų54.46%0.0630%0.298CS..EExtended strand (participates in β ladder)trans-59.5115.3152.9-74.973.4000108.6R126 R174 D203 L204 F234 H264R126-H236 PolarHBondContact NH1-CE1 2.77Å; R126-H236 PolarHBondContact NH1-ND1 2.9Å; R174-H236 VanDerWaalsContact NH2-CB 3.35Å; R174-H236 PolarHBondContact NH2-O 3.21Å; D203-H236 PolarHBondContact OD1-N 3.34Å; D203-H236 IonicContact OD1-ND1 3.48Å; D203-H236 PolarHBondContact OD1-ND1 3.38Å; D203-H236 IonicContact OD2-CE1 2.71Å; D203-H236 PolarHBondContact OD2-CE1 3.14Å; D203-H236 IonicContact OD2-ND1 2.66Å; D203-H236 PolarHBondContact OD2-ND1 3.15Å; L204-H236 WeakPolarHBondContact O-CB 3.12Å; F234-H236 PolarHBondContact O-N 3.36Å; H236-H264 AromaticContact CD2-CD2 3.36Å; H236-H264 PolarHBondContact CD2-CD2 2.95Å; H236-H264 AromaticContact CD2-NE2 3.15Å; H236-H264 PolarHBondContact CD2-NE2 3.34Å; H236-H264 AromaticContact NE2-NE2 3.47Å; H236-H264 PolarHBondContact NE2-NE2 3.46Å
237A97.3Very high93.1Very high0 Ų048.8 Ų48.80%027%0.274CS..EExtended strand (participates in β ladder)trans-155.3136.6178.200000110.6E208 F235 N250 I251 A254 I262 G263 G265E208-A237 WeakPolarHBondContact OE1-CA 3.31Å; F235-A237 PolarHBondContact O-N 3.21Å; A237-N250 HydrophobicContact CB-CB 3.8Å; A237-I251 HydrophobicContact CB-CG2 4.12Å; A237-A254 HydrophobicContact CB-CB 4.19Å; A237-I262 HydrophobicContact CB-CG2 4.08Å; A237-I262 WeakPolarHBondContact O-CG2 3.27Å; A237-G263 PolarHBondContact N-O 2.94Å; A237-G263 VanDerWaalsContact O-O 3.12Å; A237-G265 WeakPolarHBondContact O-CA 3.24Å; A237-G265 PolarHBondContact O-N 3.38Å; A237-G265 VanDerWaalsContact O-N 3.15Å
238G95.6Very high92.8Very high0 Ų044 Ų440%025%0.249CC..  trans79.625.9-178.500000113.8E208 T240 F266 A267E208-G238 WeakPolarHBondContact OE2-CA 3.37Å; E208-G238 PolarHBondContact OE2-N 3.46Å; G238-T240 VanDerWaalsContact C-N 3.28Å; G238-T240 PolarHBondContact O-N 3.41Å; G238-F266 PolarHBondContact O-N 3.41Å; G238-A267 VanDerWaalsContact CA-CB 3.45Å; G238-A267 WeakPolarHBondContact O-CB 3.23Å; G238-A267 PolarHBondContact O-N 2.9Å
239E95.3Very high92.6Very high5 Ų548.1 Ų48.12%0.02324%0.242CC..  trans-90.859.9165.5-165.3-169-173.300109.3W84 E208 H264 F266 L297W84-E239 WeakPolarHBondContact CZ2-OE1 3.45Å; E208-E239 HydrophobicContact CB-CB 4.49Å; E208-E239 PolarHBondContact OE2-N 3Å; E239-H264 HydrophobicContact CB-CB 3.87Å; E239-H264 VanDerWaalsContact CD-NE2 3.35Å; E239-H264 HydrophobicContact CG-CB 4.08Å; E239-H264 IonicContact OE1-CD2 2.81Å; E239-H264 IonicContact OE1-CE1 2.77Å; E239-H264 IonicContact OE1-NE2 3.06Å; E239-H264 IonicContact OE2-CD2 3.18Å; E239-H264 PolarHBondContact OE2-CD2 2.93Å; E239-H264 IonicContact OE2-NE2 3.18Å; E239-H264 PolarHBondContact OE2-NE2 3.19Å; E239-F266 HydrophobicContact CG-CE1 4.17Å; E239-F266 HydrophobicContact CG-CZ 4.33Å; E239-L297 HydrophobicContact CG-CD1 3.5Å; E239-L297 WeakPolarHBondContact OE1-CD1 3.31Å
240T89.3Confident92.6Very high0 Ų045.6 Ų45.60%023%0.227CC..  trans-148.1147.7-175.6-178.10000111.8D209 G238 W242 D248 A267D209-T240 WeakPolarHBondContact OD1-CB 3.18Å; D209-T240 PolarHBondContact OD1-OG1 3.08Å; G238-T240 VanDerWaalsContact C-N 3.28Å; G238-T240 PolarHBondContact O-N 3.41Å; T240-W242 PolarHBondContact OG1-N 3.48Å; T240-D248 HydrophobicContact CG2-CB 4.23Å; T240-A267 HydrophobicContact CG2-CB 4.3Å
241D79.9Confident92.7Very high48 Ų4836.5 Ų36.526%0.25719%0.187SC..SBendtrans-88.5-15.9-179.9-73.4-16.4000113.5Q80 K270 L297Q80-D241 PolarHBondContact NE2-OD2 2.94Å; D241-K270 VanDerWaalsContact C-NZ 3.26Å; D241-K270 PolarHBondContact O-NZ 2.95Å; D241-L297 VanDerWaalsContact OD1-O 3.07Å
242W85.2Confident92.6Very high173 Ų17339.4 Ų39.466%0.65520%0.203SC*.  trans-105.9136.3-170.4-59.6107.4000112.3T240 T245 D248T240-W242 PolarHBondContact OG1-N 3.48Å; W242-T245 HydrophobicContact CB-CG2 3.89Å; W242-D248 WeakPolarHBondContact O-CB 3.05Å
243Q86.7Confident92.6Very high125 Ų12539.9 Ų39.958%0.58420%0.204SC*.SBendtrans-92.7141.8172-172.2175.36.800110.7D248 K270Q243-D248 VanDerWaalsContact CA-OD2 3.3Å; Q243-D248 WeakPolarHBondContact CA-OD2 3.22Å; Q243-K270 HydrophobicContact CB-CD 4.12Å; Q243-K270 HydrophobicContact CG-CB 4.39Å; Q243-K270 PolarHBondContact NE2-O 3.02Å
244G85.4Confident92.5Very high56 Ų5639.3 Ų39.358%0.57720%0.202SC*.SBendtrans904170.500000115.2D248G244-D248 PolarHBondContact N-OD2 2.96Å
245T88.8Confident92.5Very high51 Ų5139.3 Ų39.331%0.31320%0.202SC..SBendtrans-75.5167.7170.269.10000110.6W242 I247 D248W242-T245 HydrophobicContact CB-CG2 3.89Å; T245-I247 VanDerWaalsContact C-N 3.26Å; T245-I247 PolarHBondContact OG1-N 2.61Å; T245-D248 WeakPolarHBondContact OG1-CB 3.5Å; T245-D248 PolarHBondContact OG1-N 2.74Å
246S86.8Confident92.4Very high78 Ų7844.1 Ų44.155%0.54523%0.226SC..SBendtrans-62.9-37.9169.447.80000111.3R249S246-R249 WeakPolarHBondContact O-CB 3.19Å; S246-R249 PolarHBondContact O-N 3.31Å; S246-R249 VanDerWaalsContact O-N 3.12Å
247I90.2Very high92.3Very high10 Ų1045 Ų455%0.05123%0.231CC..G310 helixtrans-64.8-41.8-179.9-62.1-55.1000112.3E208 T245 R249 N250E208-I247 HydrophobicContact CB-CG2 4.38Å; E208-I247 HydrophobicContact CG-CG2 3.1Å; E208-I247 WeakPolarHBondContact O-CD1 3.49Å; T245-I247 VanDerWaalsContact C-N 3.26Å; T245-I247 PolarHBondContact OG1-N 2.61Å; I247-R249 PolarHBondContact O-N 3.19Å; I247-N250 WeakPolarHBondContact O-CB 3.44Å; I247-N250 VanDerWaalsContact O-CG 3.27Å; I247-N250 PolarHBondContact O-N 2.82Å; I247-N250 PolarHBondContact O-ND2 3.21Å
248D90.7Very high92.3Very high1 Ų150.4 Ų50.41%0.00526%0.259CS..G310 helixtrans-60.8-15.3174.7-179.651.6000112.9T240 W242 Q243 G244 T245 I251 H271T240-D248 HydrophobicContact CG2-CB 4.23Å; W242-D248 WeakPolarHBondContact O-CB 3.05Å; Q243-D248 VanDerWaalsContact CA-OD2 3.3Å; Q243-D248 WeakPolarHBondContact CA-OD2 3.22Å; G244-D248 PolarHBondContact N-OD2 2.96Å; T245-D248 WeakPolarHBondContact OG1-CB 3.5Å; T245-D248 PolarHBondContact OG1-N 2.74Å; D248-I251 VanDerWaalsContact O-CG1 3.26Å; D248-I251 WeakPolarHBondContact O-CG1 3.26Å; D248-H271 IonicContact OD1-CD2 2.86Å; D248-H271 IonicContact OD1-CE1 3.69Å; D248-H271 IonicContact OD1-NE2 3.79Å; D248-H271 PolarHBondContact OD1-NE2 3.39Å; D248-H271 IonicContact OD2-CE1 3.77Å; D248-H271 PolarHBondContact OD2-CE1 3.33Å; D248-H271 IonicContact OD2-NE2 3.8Å; D248-H271 PolarHBondContact OD2-NE2 2.81Å
249R92.6Very high92.4Very high156 Ų15650.5 Ų50.559%0.58926%0.26SS*.G310 helixtrans-84.6-8.3172.5-58.5180-176-167.20.3113.7S246 I247 I251 L252 D253S246-R249 WeakPolarHBondContact O-CB 3.19Å; S246-R249 PolarHBondContact O-N 3.31Å; S246-R249 VanDerWaalsContact O-N 3.12Å; I247-R249 PolarHBondContact O-N 3.19Å; R249-I251 PolarHBondContact O-N 3.39Å; R249-I251 VanDerWaalsContact O-N 3.14Å; R249-L252 WeakPolarHBondContact O-CA 3.38Å; R249-L252 WeakPolarHBondContact O-CB 3.49Å; R249-L252 PolarHBondContact O-N 3.45Å; R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å
250N95.9Very high92.5Very high0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-56.4-33177.9-77.2-18.4000112.2E208 S213 L214 A237 I247 L252 D253 A254E208-N250 PolarHBondContact OE1-ND2 3.11Å; S213-N250 WeakPolarHBondContact CA-OD1 3.46Å; S213-N250 VanDerWaalsContact CB-OD1 3.3Å; S213-N250 WeakPolarHBondContact CB-OD1 3.4Å; L214-N250 HydrophobicContact CD1-CB 4.23Å; L214-N250 WeakPolarHBondContact CD1-O 3.22Å; L214-N250 HydrophobicContact CG-CB 4.17Å; L214-N250 PolarHBondContact N-OD1 2.91Å; A237-N250 HydrophobicContact CB-CB 3.8Å; I247-N250 WeakPolarHBondContact O-CB 3.44Å; I247-N250 VanDerWaalsContact O-CG 3.27Å; I247-N250 PolarHBondContact O-N 2.82Å; I247-N250 PolarHBondContact O-ND2 3.21Å; N250-L252 VanDerWaalsContact C-N 3.3Å; N250-L252 PolarHBondContact O-N 2.85Å; N250-D253 PolarHBondContact O-N 2.87Å; N250-A254 WeakPolarHBondContact O-CB 3.31Å; N250-A254 PolarHBondContact O-N 3.32Å
251I95.9Very high93Very high0 Ų053.5 Ų53.50%028%0.278CS..Hα-helixtrans-62.1-35.4174.249.3172.4000112.7A237 D248 R249 L255 A267 L268 H271 V274A237-I251 HydrophobicContact CB-CG2 4.12Å; D248-I251 VanDerWaalsContact O-CG1 3.26Å; D248-I251 WeakPolarHBondContact O-CG1 3.26Å; R249-I251 PolarHBondContact O-N 3.39Å; R249-I251 VanDerWaalsContact O-N 3.14Å; I251-L255 WeakPolarHBondContact O-CD1 3.25Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.34Å; I251-A267 HydrophobicContact CD1-CB 4.49Å; I251-L268 HydrophobicContact CB-CD2 4.21Å; I251-L268 HydrophobicContact CD1-CD2 4.13Å; I251-L268 HydrophobicContact CG2-CD2 4.48Å; I251-H271 HydrophobicContact CD1-CB 3.89Å; I251-H271 WeakPolarHBondContact CD1-CD2 3.44Å; I251-V274 HydrophobicContact CB-CG1 4.38Å; I251-V274 HydrophobicContact CD1-CG1 4.24Å; I251-V274 HydrophobicContact CG1-CG1 4.26Å
252L96.6Very high93.9Very high75 Ų7551.2 Ų51.239%0.39327%0.265SS..Hα-helixtrans-71.6-48.5175.4174.261.6000109.8R249 N250 A254 L255 M256 V274R249-L252 WeakPolarHBondContact O-CA 3.38Å; R249-L252 WeakPolarHBondContact O-CB 3.49Å; R249-L252 PolarHBondContact O-N 3.45Å; N250-L252 VanDerWaalsContact C-N 3.3Å; N250-L252 PolarHBondContact O-N 2.85Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.01Å; L252-L255 PolarHBondContact O-N 2.95Å; L252-M256 HydrophobicContact CD1-CE 4.2Å; L252-M256 HydrophobicContact CD1-CG 4.23Å; L252-M256 HydrophobicContact CG-CG 4.46Å; L252-M256 WeakPolarHBondContact O-CG 3.11Å; L252-M256 PolarHBondContact O-N 2.92Å; L252-V274 HydrophobicContact CB-CG2 4.4Å; L252-V274 HydrophobicContact CD1-CG2 4.36Å
253D97.1Very high94.5Very high34 Ų3443 Ų4318%0.18224%0.235CC..Hα-helixtrans-61.6-41.2-179.8-69.1-34.7000111.8L214 R249 N250 L255 M256 L257L214-D253 HydrophobicContact CB-CB 3.83Å; L214-D253 HydrophobicContact CD1-CB 4.21Å; R249-D253 PolarHBondContact O-N 2.93Å; R249-D253 VanDerWaalsContact O-N 3.11Å; N250-D253 PolarHBondContact O-N 2.87Å; D253-L255 VanDerWaalsContact C-N 3.3Å; D253-L255 PolarHBondContact O-N 3.35Å; D253-M256 PolarHBondContact O-N 3.44Å; D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 VanDerWaalsContact O-CG 3.3Å; D253-L257 WeakPolarHBondContact O-CG 3.42Å; D253-L257 PolarHBondContact O-N 3.05Å
254A98.1Very high95Very high0 Ų037.2 Ų37.20%021%0.207CC..Hα-helixtrans-58.6-42.2175.500000111.7L214 F235 A237 N250 L252 L257 N258 T259L214-A254 HydrophobicContact CD1-CB 3.72Å; F235-A254 HydrophobicContact CB-CB 4.2Å; F235-A254 HydrophobicContact CD2-CB 4.01Å; A237-A254 HydrophobicContact CB-CB 4.19Å; N250-A254 WeakPolarHBondContact O-CB 3.31Å; N250-A254 PolarHBondContact O-N 3.32Å; L252-A254 VanDerWaalsContact C-N 3.33Å; L252-A254 PolarHBondContact O-N 3.01Å; A254-L257 PolarHBondContact O-N 3.48Å; A254-N258 PolarHBondContact O-N 2.92Å; A254-T259 HydrophobicContact CB-CG2 4.01Å; A254-T259 VanDerWaalsContact O-CB 3.25Å; A254-T259 WeakPolarHBondContact O-CB 3.5Å; A254-T259 WeakPolarHBondContact O-CG2 3.29Å; A254-T259 PolarHBondContact O-N 3.17Å
255L97.6Very high95.5Very high1 Ų134.5 Ų34.51%0.00518%0.18CC..Hα-helixtrans-70.2-37.3176.4-68.1171.6000112.3I251 L252 D253 L257 N258 I262 V274 Y277 I283I251-L255 WeakPolarHBondContact O-CD1 3.25Å; I251-L255 WeakPolarHBondContact O-CG 3.35Å; I251-L255 PolarHBondContact O-N 3.34Å; L252-L255 PolarHBondContact O-N 2.95Å; D253-L255 VanDerWaalsContact C-N 3.3Å; D253-L255 PolarHBondContact O-N 3.35Å; L255-L257 VanDerWaalsContact C-N 3.26Å; L255-L257 PolarHBondContact O-N 2.99Å; L255-N258 PolarHBondContact O-N 3.17Å; L255-I262 HydrophobicContact CD2-CD1 3.92Å; L255-I262 HydrophobicContact CG-CD1 4.14Å; L255-V274 HydrophobicContact CD1-CG1 3.41Å; L255-V274 VanDerWaalsContact CD1-CG1 3.41Å; L255-Y277 HydrophobicContact CB-CD1 4.08Å; L255-Y277 HydrophobicContact CB-CE1 4.09Å; L255-Y277 HydrophobicContact CD1-CD1 4.08Å; L255-Y277 HydrophobicContact CD2-CD1 4.49Å; L255-Y277 HydrophobicContact CG-CD1 4.45Å; L255-I283 HydrophobicContact CD2-CB 4.32Å; L255-I283 HydrophobicContact CD2-CD1 3.53Å; L255-I283 HydrophobicContact CD2-CG2 4.15Å
256M96.6Very high95.8Very high101 Ų10132.2 Ų32.250%0.49817%0.165SC..Hα-helixtrans-66-30.8174.6-66.8-56.39300112.2L252 D253 N258 Y277L252-M256 HydrophobicContact CD1-CE 4.2Å; L252-M256 HydrophobicContact CD1-CG 4.23Å; L252-M256 HydrophobicContact CG-CG 4.46Å; L252-M256 WeakPolarHBondContact O-CG 3.11Å; L252-M256 PolarHBondContact O-N 2.92Å; D253-M256 PolarHBondContact O-N 3.44Å; M256-N258 PolarHBondContact O-N 3.37Å; M256-Y277 HydrophobicContact CE-CD1 4.46Å; M256-Y277 HydrophobicContact CE-CE1 3.93Å
257L96.9Very high96.2Very high32 Ų3228.5 Ų28.517%0.16814%0.139CC..THydrogen-bonded Turntrans-80.47.6172.6-67.3168.4000113.3L221 M222 Y233 F235 D253 A254 L255 T259L221-L257 HydrophobicContact CB-CD1 4.1Å; L221-L257 HydrophobicContact CB-CD2 4.2Å; L221-L257 HydrophobicContact CD1-CD1 3.6Å; L221-L257 HydrophobicContact CG-CD1 4.47Å; M222-L257 HydrophobicContact SD-CD2 3.75Å; Y233-L257 HydrophobicContact CD2-CB 4.3Å; F235-L257 HydrophobicContact CE2-CB 4.02Å; F235-L257 HydrophobicContact CE2-CD1 3.66Å; F235-L257 HydrophobicContact CZ-CD1 4.1Å; D253-L257 WeakPolarHBondContact O-CB 3.44Å; D253-L257 VanDerWaalsContact O-CG 3.3Å; D253-L257 WeakPolarHBondContact O-CG 3.42Å; D253-L257 PolarHBondContact O-N 3.05Å; A254-L257 PolarHBondContact O-N 3.48Å; L255-L257 VanDerWaalsContact C-N 3.26Å; L255-L257 PolarHBondContact O-N 2.99Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 3.39Å
258N96.1Very high96.5Very high112 Ų11228 Ų2860%0.59914%0.137SC*.THydrogen-bonded Turntrans51.845.6-178.2-59.9-71.9000112.7A254 L255 M256 T260A254-N258 PolarHBondContact O-N 2.92Å; L255-N258 PolarHBondContact O-N 3.17Å; M256-N258 PolarHBondContact O-N 3.37Å; N258-T260 PolarHBondContact O-N 3.25Å
259T98.3Very high96.6Very high3 Ų329.9 Ų29.92%0.01815%0.15CC..  trans-53.4141.7174.5-164.50000111.3Y233 F235 A254 L257 R261 I262 I283Y233-T259 PolarHBondContact O-OG1 3.49Å; F235-T259 PolarHBondContact N-OG1 3.15Å; A254-T259 HydrophobicContact CB-CG2 4.01Å; A254-T259 VanDerWaalsContact O-CB 3.25Å; A254-T259 WeakPolarHBondContact O-CB 3.5Å; A254-T259 WeakPolarHBondContact O-CG2 3.29Å; A254-T259 PolarHBondContact O-N 3.17Å; L257-T259 VanDerWaalsContact C-N 3.29Å; L257-T259 PolarHBondContact O-N 3.39Å; T259-R261 PolarHBondContact OG1-O 2.85Å; T259-I262 HydrophobicContact CG2-CD1 4.3Å; T259-I262 HydrophobicContact CG2-CG1 3.6Å; T259-I283 HydrophobicContact CG2-CG2 4.14Å
260T98.3Very high96.6Very high57 Ų5725.3 Ų25.335%0.3514%0.135SC..SBendtrans-75.3-39.3179.9-590000110.5Y233 F234 N258Y233-T260 WeakPolarHBondContact O-CB 3.33Å; Y233-T260 PolarHBondContact O-N 3.4Å; F234-T260 HydrophobicContact CD1-CG2 4.49Å; F234-T260 HydrophobicContact CE1-CG2 3.64Å; F234-T260 HydrophobicContact CZ-CG2 4Å; N258-T260 PolarHBondContact O-N 3.25Å
261R98.6Very high96.6Very high11 Ų1127 Ų274%0.04214%0.142CC..  trans-150154.5173.6-53.6-165.5-64.3-89.9-10.9109.8E124 F234 T259 P284 E286 Y362E124-R261 IonicContact OE1-NH1 3.51Å; E124-R261 IonicContact OE2-CZ 3.44Å; E124-R261 IonicContact OE2-NH1 3.68Å; E124-R261 PolarHBondContact OE2-NH1 3.46Å; E124-R261 IonicContact OE2-NH2 2.78Å; E124-R261 PolarHBondContact OE2-NH2 3.28Å; F234-R261 CarbonylContact C-O 3.48Å; F234-R261 WeakPolarHBondContact CA-O 3.29Å; F234-R261 HydrophobicContact CD1-CB 4.27Å; F234-R261 HydrophobicContact CD1-CG 4.37Å; T259-R261 PolarHBondContact OG1-O 2.85Å; R261-P284 WeakPolarHBondContact CA-O 2.87Å; R261-P284 HydrophobicContact CB-CG 4.09Å; R261-P284 HydrophobicContact CG-CG 3.53Å; R261-E286 HydrophobicContact CB-CG 4.26Å; R261-E286 IonicContact CZ-OE1 2.95Å; R261-E286 VanDerWaalsContact CZ-OE1 3.32Å; R261-E286 IonicContact NE-OE1 3.68Å; R261-E286 PolarHBondContact NE-OE1 3.08Å; R261-E286 IonicContact NH2-OE1 3.48Å; R261-E286 PolarHBondContact NH2-OE1 3.33Å; R261-Y362 WeakPolarHBondContact CD-O 3.43Å; R261-Y362 PolarHBondContact NH1-O 2.68Å
262I98.6Very high96.5Very high0 Ų031.4 Ų31.40%017%0.171CC..EExtended strand (participates in β ladder)trans-105.3121.6177-63.4170000109.3F235 A237 L255 T259 I283 P284 I285 E286F235-I262 WeakPolarHBondContact O-CA 3.49Å; A237-I262 HydrophobicContact CB-CG2 4.08Å; A237-I262 WeakPolarHBondContact O-CG2 3.27Å; L255-I262 HydrophobicContact CD2-CD1 3.92Å; L255-I262 HydrophobicContact CG-CD1 4.14Å; T259-I262 HydrophobicContact CG2-CD1 4.3Å; T259-I262 HydrophobicContact CG2-CG1 3.6Å; I262-I283 HydrophobicContact CD1-CG2 4.42Å; I262-I283 HydrophobicContact CG1-CG2 4.32Å; I262-P284 PolarHBondContact N-O 2.88Å; I262-I285 HydrophobicContact CB-CG2 4.27Å; I262-I285 CarbonylContact O-C 3.59Å; I262-I285 VanDerWaalsContact O-CA 3.27Å; I262-I285 WeakPolarHBondContact O-CA 3.36Å; I262-E286 PolarHBondContact O-N 3.3Å
263G98.3Very high96.4Very high1 Ų131.5 Ų31.51%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-65.8128.7170.300000110.9F235 A237 G265F235-G263 PolarHBondContact O-N 3.37Å; A237-G263 PolarHBondContact N-O 2.94Å; A237-G263 VanDerWaalsContact O-O 3.12Å; G263-G265 VanDerWaalsContact C-N 3.31Å; G263-G265 PolarHBondContact O-N 3.49Å
264H97.8Very high96.4Very high2 Ų230.7 Ų30.71%0.00918%0.179CC..EExtended strand (participates in β ladder)trans63.3-73.1-172.8-47.6-71.8000114.5H236 E239 F266 E286 N292 D321H236-H264 AromaticContact CD2-CD2 3.36Å; H236-H264 PolarHBondContact CD2-CD2 2.95Å; H236-H264 AromaticContact CD2-NE2 3.15Å; H236-H264 PolarHBondContact CD2-NE2 3.34Å; H236-H264 AromaticContact NE2-NE2 3.47Å; H236-H264 PolarHBondContact NE2-NE2 3.46Å; E239-H264 HydrophobicContact CB-CB 3.87Å; E239-H264 VanDerWaalsContact CD-NE2 3.35Å; E239-H264 HydrophobicContact CG-CB 4.08Å; E239-H264 IonicContact OE1-CD2 2.81Å; E239-H264 IonicContact OE1-CE1 2.77Å; E239-H264 IonicContact OE1-NE2 3.06Å; E239-H264 IonicContact OE2-CD2 3.18Å; E239-H264 PolarHBondContact OE2-CD2 2.93Å; E239-H264 IonicContact OE2-NE2 3.18Å; E239-H264 PolarHBondContact OE2-NE2 3.19Å; H264-F266 HydrophobicContact CB-CD1 3.96Å; H264-F266 HydrophobicContact CB-CE1 3.99Å; H264-F266 PolarHBondContact O-N 3.23Å; H264-E286 WeakPolarHBondContact CA-O 3.39Å; H264-E286 PolarHBondContact N-O 2.9Å; H264-N292 PolarHBondContact ND1-ND2 3.44Å; H264-D321 IonicContact CE1-OD2 3.68Å
265G96.6Very high96.3Very high0 Ų033.3 Ų33.30%019%0.189CC..  trans63.17.1172.100000116.8A237 G263 A267 L268A237-G265 WeakPolarHBondContact O-CA 3.24Å; A237-G265 PolarHBondContact O-N 3.38Å; A237-G265 VanDerWaalsContact O-N 3.15Å; G263-G265 VanDerWaalsContact C-N 3.31Å; G263-G265 PolarHBondContact O-N 3.49Å; G265-A267 PolarHBondContact O-N 3.5Å; G265-L268 VanDerWaalsContact O-CB 3.3Å; G265-L268 WeakPolarHBondContact O-CB 3.42Å; G265-L268 VanDerWaalsContact O-CG 3.27Å; G265-L268 WeakPolarHBondContact O-CG 3.2Å; G265-L268 PolarHBondContact O-N 3.19Å
266F94.7Very high96.3Very high2 Ų236.1 Ų36.11%0.00921%0.206CC..G310 helixtrans-70.1-17.5-173.760.5-106.3000113G238 E239 H264 L268 S269 L297 H304 P305 V306G238-F266 PolarHBondContact O-N 3.41Å; E239-F266 HydrophobicContact CG-CE1 4.17Å; E239-F266 HydrophobicContact CG-CZ 4.33Å; H264-F266 HydrophobicContact CB-CD1 3.96Å; H264-F266 HydrophobicContact CB-CE1 3.99Å; H264-F266 PolarHBondContact O-N 3.23Å; F266-L268 PolarHBondContact O-N 2.93Å; F266-S269 WeakPolarHBondContact O-CB 3.27Å; F266-S269 PolarHBondContact O-N 2.8Å; F266-S269 PolarHBondContact O-OG 3.37Å; F266-L297 HydrophobicContact CE1-CD1 4.49Å; F266-L297 HydrophobicContact CZ-CB 4.04Å; F266-L297 HydrophobicContact CZ-CD1 4.26Å; F266-L297 HydrophobicContact CZ-CD2 4.39Å; F266-L297 HydrophobicContact CZ-CG 4.47Å; F266-H304 AromaticContact CD1-CE1 3.86Å; F266-H304 AromaticContact CG-CE1 3.96Å; F266-P305 HydrophobicContact CB-CB 4.26Å; F266-P305 HydrophobicContact CD2-CB 4.48Å; F266-P305 HydrophobicContact CD2-CG 4.19Å; F266-V306 HydrophobicContact CB-CG1 4.18Å
267A95.3Very high96.3Very high0 Ų035.3 Ų35.30%020%0.198CC..G310 helixtrans-60.4-20.5168.900000113.4G238 T240 I251 G265 S269 K270 H271G238-A267 VanDerWaalsContact CA-CB 3.45Å; G238-A267 WeakPolarHBondContact O-CB 3.23Å; G238-A267 PolarHBondContact O-N 2.9Å; T240-A267 HydrophobicContact CG2-CB 4.3Å; I251-A267 HydrophobicContact CD1-CB 4.49Å; G265-A267 PolarHBondContact O-N 3.5Å; A267-S269 PolarHBondContact O-N 2.98Å; A267-K270 WeakPolarHBondContact O-CB 3.38Å; A267-K270 PolarHBondContact O-N 3.4Å; A267-H271 PolarHBondContact O-CD2 3.32Å
268L95.6Very high96.4Very high0 Ų033.8 Ų33.80%019%0.19CC..G310 helixtrans-52.6-27.5174.5-75.6175.3000113.3I251 G265 F266 K270 H271 V274 R275 I285 L309I251-L268 HydrophobicContact CB-CD2 4.21Å; I251-L268 HydrophobicContact CD1-CD2 4.13Å; I251-L268 HydrophobicContact CG2-CD2 4.48Å; G265-L268 VanDerWaalsContact O-CB 3.3Å; G265-L268 WeakPolarHBondContact O-CB 3.42Å; G265-L268 VanDerWaalsContact O-CG 3.27Å; G265-L268 WeakPolarHBondContact O-CG 3.2Å; G265-L268 PolarHBondContact O-N 3.19Å; F266-L268 PolarHBondContact O-N 2.93Å; L268-K270 PolarHBondContact O-N 3.39Å; L268-H271 PolarHBondContact O-N 3.2Å; L268-V274 HydrophobicContact CD2-CB 4.38Å; L268-V274 HydrophobicContact CD2-CG1 3.79Å; L268-R275 HydrophobicContact CB-CB 4.36Å; L268-R275 HydrophobicContact CB-CG 4.47Å; L268-I285 HydrophobicContact CD1-CG2 3.61Å; L268-L309 HydrophobicContact CB-CD1 4.08Å
269S93.6Very high96.4Very high41 Ų4135 Ų3529%0.28719%0.186SC..G310 helixtrans-55.3-27.8173.458.70000113.7F266 A267 P305F266-S269 WeakPolarHBondContact O-CB 3.27Å; F266-S269 PolarHBondContact O-N 2.8Å; F266-S269 PolarHBondContact O-OG 3.37Å; A267-S269 PolarHBondContact O-N 2.98Å; S269-P305 WeakPolarHBondContact OG-CB 3.37Å
270K92.6Very high96.4Very high60 Ų6042.4 Ų42.426%0.26122%0.218SC..G310 helixtrans-93.6-5.5-179.8-56.8177.7-171.8157.60113.2D241 Q243 A267 L268 P272D241-K270 VanDerWaalsContact C-NZ 3.26Å; D241-K270 PolarHBondContact O-NZ 2.95Å; Q243-K270 HydrophobicContact CB-CD 4.12Å; Q243-K270 HydrophobicContact CG-CB 4.39Å; Q243-K270 PolarHBondContact NE2-O 3.02Å; A267-K270 WeakPolarHBondContact O-CB 3.38Å; A267-K270 PolarHBondContact O-N 3.4Å; L268-K270 PolarHBondContact O-N 3.39Å; K270-P272 WeakPolarHBondContact O-CD 3.43Å
271H94.6Very high96.3Very high34 Ų3445.1 Ų45.116%0.15723%0.226CC..  trans-126.477.1-174.4-65.7-96.3000112D248 I251 A267 L268 A273 V274 R275D248-H271 IonicContact OD1-CD2 2.86Å; D248-H271 IonicContact OD1-CE1 3.69Å; D248-H271 IonicContact OD1-NE2 3.79Å; D248-H271 PolarHBondContact OD1-NE2 3.39Å; D248-H271 IonicContact OD2-CE1 3.77Å; D248-H271 PolarHBondContact OD2-CE1 3.33Å; D248-H271 IonicContact OD2-NE2 3.8Å; D248-H271 PolarHBondContact OD2-NE2 2.81Å; I251-H271 HydrophobicContact CD1-CB 3.89Å; I251-H271 WeakPolarHBondContact CD1-CD2 3.44Å; A267-H271 PolarHBondContact O-CD2 3.32Å; L268-H271 PolarHBondContact O-N 3.2Å; H271-A273 VanDerWaalsContact C-N 3.32Å; H271-A273 PolarHBondContact O-N 3.02Å; H271-V274 HydrophobicContact CB-CB 3.74Å; H271-V274 HydrophobicContact CB-CG2 3.84Å; H271-V274 PolarHBondContact O-N 3.1Å; H271-V274 VanDerWaalsContact O-N 3.14Å; H271-R275 VanDerWaalsContact O-CB 3.28Å; H271-R275 WeakPolarHBondContact O-CB 3.23Å; H271-R275 PolarHBondContact O-N 2.67Å
272P94.1Very high96.3Very high94 Ų9448 Ų4861%0.6124%0.241SC*.Hα-helixtrans-60.4-36.4-169.921.8-33.2000114.1K270 T276K270-P272 WeakPolarHBondContact O-CD 3.43Å; P272-T276 WeakPolarHBondContact O-CB 3.46Å; P272-T276 PolarHBondContact O-N 3.4Å; P272-T276 PolarHBondContact O-OG1 3.08Å
273A95.5Very high96.3Very high76 Ų7648.7 Ų48.763%0.62825%0.245SC*.Hα-helixtrans-68.5-45.8176.800000111.9H271 T276 Y277H271-A273 VanDerWaalsContact C-N 3.32Å; H271-A273 PolarHBondContact O-N 3.02Å; A273-T276 PolarHBondContact O-N 3.46Å; A273-Y277 PolarHBondContact O-N 3.25Å
274V96.5Very high96.3Very high18 Ų1848.7 Ų48.711%0.10925%0.245CC..Hα-helixtrans-63.8-45178-175.50000110.4I251 L252 L255 L268 H271 T276 Y277 S278I251-V274 HydrophobicContact CB-CG1 4.38Å; I251-V274 HydrophobicContact CD1-CG1 4.24Å; I251-V274 HydrophobicContact CG1-CG1 4.26Å; L252-V274 HydrophobicContact CB-CG2 4.4Å; L252-V274 HydrophobicContact CD1-CG2 4.36Å; L255-V274 HydrophobicContact CD1-CG1 3.41Å; L255-V274 VanDerWaalsContact CD1-CG1 3.41Å; L268-V274 HydrophobicContact CD2-CB 4.38Å; L268-V274 HydrophobicContact CD2-CG1 3.79Å; H271-V274 HydrophobicContact CB-CB 3.74Å; H271-V274 HydrophobicContact CB-CG2 3.84Å; H271-V274 PolarHBondContact O-N 3.1Å; H271-V274 VanDerWaalsContact O-N 3.14Å; V274-T276 PolarHBondContact O-N 3.19Å; V274-Y277 WeakPolarHBondContact O-CB 3.41Å; V274-Y277 PolarHBondContact O-N 3.46Å; V274-S278 PolarHBondContact O-N 3.14Å
275R96.4Very high96.3Very high54 Ų5448.6 Ų48.620%0.20425%0.245CC..Hα-helixtrans-57.3-46.4173-175.7-168124.3120.711.7112.2L268 H271 Y277 S278 W279 T308 L309 T312L268-R275 HydrophobicContact CB-CB 4.36Å; L268-R275 HydrophobicContact CB-CG 4.47Å; H271-R275 VanDerWaalsContact O-CB 3.28Å; H271-R275 WeakPolarHBondContact O-CB 3.23Å; H271-R275 PolarHBondContact O-N 2.67Å; R275-Y277 VanDerWaalsContact C-N 3.3Å; R275-Y277 PolarHBondContact O-N 3.01Å; R275-S278 PolarHBondContact O-N 3.2Å; R275-W279 VanDerWaalsContact O-CB 3.31Å; R275-W279 WeakPolarHBondContact O-CB 3.32Å; R275-W279 PolarHBondContact O-N 3.16Å; R275-T308 PolarHBondContact NH1-O 3.29Å; R275-L309 HydrophobicContact CG-CD2 4.1Å; R275-L309 VanDerWaalsContact NH1-CD2 3.26Å; R275-T312 VanDerWaalsContact CZ-OG1 3.23Å; R275-T312 PolarHBondContact NH1-OG1 2.85Å; R275-T312 PolarHBondContact NH2-OG1 2.92Å
276T97.1Very high96.4Very high61 Ų6149.2 Ų49.237%0.37425%0.248SC..Hα-helixtrans-62.8-39.6177.9-61.20000111.2P272 A273 V274 K280P272-T276 WeakPolarHBondContact O-CB 3.46Å; P272-T276 PolarHBondContact O-N 3.4Å; P272-T276 PolarHBondContact O-OG1 3.08Å; A273-T276 PolarHBondContact O-N 3.46Å; V274-T276 PolarHBondContact O-N 3.19Å; T276-K280 HydrophobicContact CG2-CD 4.24Å; T276-K280 WeakPolarHBondContact O-CB 3.22Å; T276-K280 VanDerWaalsContact O-CG 3.32Å; T276-K280 WeakPolarHBondContact O-CG 3.28Å; T276-K280 PolarHBondContact O-N 2.64Å
277Y97.3Very high96.6Very high84 Ų8449.3 Ų49.333%0.32925%0.248SC..Hα-helixtrans-63.5-51.3175.5-175.7-90.5000111.6L255 M256 A273 V274 R275 W279 K280 K281L255-Y277 HydrophobicContact CB-CD1 4.08Å; L255-Y277 HydrophobicContact CB-CE1 4.09Å; L255-Y277 HydrophobicContact CD1-CD1 4.08Å; L255-Y277 HydrophobicContact CD2-CD1 4.49Å; L255-Y277 HydrophobicContact CG-CD1 4.45Å; M256-Y277 HydrophobicContact CE-CD1 4.46Å; M256-Y277 HydrophobicContact CE-CE1 3.93Å; A273-Y277 PolarHBondContact O-N 3.25Å; V274-Y277 WeakPolarHBondContact O-CB 3.41Å; V274-Y277 PolarHBondContact O-N 3.46Å; R275-Y277 VanDerWaalsContact C-N 3.3Å; R275-Y277 PolarHBondContact O-N 3.01Å; Y277-W279 VanDerWaalsContact C-N 3.32Å; Y277-W279 PolarHBondContact O-N 3.14Å; Y277-K280 PolarHBondContact O-N 2.65Å; Y277-K281 HydrophobicContact CD1-CG 4.25Å; Y277-K281 HydrophobicContact CE1-CG 3.88Å; Y277-K281 WeakPolarHBondContact O-CG 3.43Å; Y277-K281 PolarHBondContact O-N 3.45Å; Y277-K281 VanDerWaalsContact O-N 3.07Å; Y277-K281 WeakPolarHBondContact OH-CE 3.5Å
278S97.8Very high96.8Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-55.5-47176.8-179.70000111.8V274 R275 K280 K281 D282 I283 H314V274-S278 PolarHBondContact O-N 3.14Å; R275-S278 PolarHBondContact O-N 3.2Å; S278-K280 PolarHBondContact O-N 3.18Å; S278-K281 CarbonylContact O-C 3.6Å; S278-K281 PolarHBondContact O-N 3.04Å; S278-K281 VanDerWaalsContact O-N 3.12Å; S278-D282 PolarHBondContact O-N 2.61Å; S278-D282 VanDerWaalsContact O-N 3.17Å; S278-I283 PolarHBondContact O-N 2.81Å; S278-I283 PolarHBondContact OG-O 3.42Å; S278-I283 VanDerWaalsContact OG-O 3.1Å; S278-H314 PolarHBondContact OG-CE1 3.33Å
279W97.5Very high96.9Very high136 Ų13649.5 Ų49.552%0.51525%0.249SC..Hα-helixtrans-59.7-46.8178-179.169.5000112.7R275 Y277 K281 D282R275-W279 VanDerWaalsContact O-CB 3.31Å; R275-W279 WeakPolarHBondContact O-CB 3.32Å; R275-W279 PolarHBondContact O-N 3.16Å; Y277-W279 VanDerWaalsContact C-N 3.32Å; Y277-W279 PolarHBondContact O-N 3.14Å; W279-K281 PolarHBondContact O-N 2.94Å; W279-D282 PolarHBondContact O-N 3.09Å; W279-D282 VanDerWaalsContact O-N 3.1Å
280K97.3Very high97.1Very high159 Ų15948.6 Ų48.669%0.69124%0.241SC*.Hα-helixtrans-63.9-26.3177.2-75.4177.5179.7-179.20113.2T276 Y277 S278 D282T276-K280 HydrophobicContact CG2-CD 4.24Å; T276-K280 WeakPolarHBondContact O-CB 3.22Å; T276-K280 VanDerWaalsContact O-CG 3.32Å; T276-K280 WeakPolarHBondContact O-CG 3.28Å; T276-K280 PolarHBondContact O-N 2.64Å; Y277-K280 PolarHBondContact O-N 2.65Å; S278-K280 PolarHBondContact O-N 3.18Å; K280-D282 VanDerWaalsContact C-N 3.34Å
281K97.6Very high97.4Very high115 Ų11545.7 Ų45.750%0.523%0.229SC..THydrogen-bonded Turntrans-88.2-1.6177.7-71-67.3-168.8172.30113.4Y277 S278 W279 I283Y277-K281 HydrophobicContact CD1-CG 4.25Å; Y277-K281 HydrophobicContact CE1-CG 3.88Å; Y277-K281 WeakPolarHBondContact O-CG 3.43Å; Y277-K281 PolarHBondContact O-N 3.45Å; Y277-K281 VanDerWaalsContact O-N 3.07Å; Y277-K281 WeakPolarHBondContact OH-CE 3.5Å; S278-K281 CarbonylContact O-C 3.6Å; S278-K281 PolarHBondContact O-N 3.04Å; S278-K281 VanDerWaalsContact O-N 3.12Å; W279-K281 PolarHBondContact O-N 2.94Å; K281-I283 HydrophobicContact CB-CD1 3.67Å; K281-I283 HydrophobicContact CB-CG1 3.83Å; K281-I283 HydrophobicContact CG-CD1 4.43Å; K281-I283 PolarHBondContact O-N 3.38Å
282D97.7Very high97.5Very high70 Ų7044.1 Ų44.137%0.37422%0.221SC..THydrogen-bonded Turntrans54.836.4-175.4-159.629.4000112.5S278 W279 K280 P284 P315 K361 Y362S278-D282 PolarHBondContact O-N 2.61Å; S278-D282 VanDerWaalsContact O-N 3.17Å; W279-D282 PolarHBondContact O-N 3.09Å; W279-D282 VanDerWaalsContact O-N 3.1Å; K280-D282 VanDerWaalsContact C-N 3.34Å; D282-P284 WeakPolarHBondContact O-CD 3.17Å; D282-P315 VanDerWaalsContact OD1-CG 3.24Å; D282-P315 WeakPolarHBondContact OD1-CG 3.48Å; D282-K361 IonicContact OD1-NZ 2.75Å; D282-K361 PolarHBondContact OD1-NZ 3.12Å; D282-K361 WeakPolarHBondContact OD2-CE 3.32Å; D282-K361 IonicContact OD2-NZ 2.7Å; D282-K361 PolarHBondContact OD2-NZ 2.66Å; D282-Y362 WeakPolarHBondContact O-CE1 3.04Å; D282-Y362 PolarHBondContact OD1-OH 3.25Å
283I98.4Very high97.6Very high16 Ų1643.4 Ų43.48%0.08221%0.21CC..PPolyproline II helixtrans-90.6116.6178.3-64.9168.5000108.4L255 T259 I262 S278 K281L255-I283 HydrophobicContact CD2-CB 4.32Å; L255-I283 HydrophobicContact CD2-CD1 3.53Å; L255-I283 HydrophobicContact CD2-CG2 4.15Å; T259-I283 HydrophobicContact CG2-CG2 4.14Å; I262-I283 HydrophobicContact CD1-CG2 4.42Å; I262-I283 HydrophobicContact CG1-CG2 4.32Å; S278-I283 PolarHBondContact O-N 2.81Å; S278-I283 PolarHBondContact OG-O 3.42Å; S278-I283 VanDerWaalsContact OG-O 3.1Å; K281-I283 HydrophobicContact CB-CD1 3.67Å; K281-I283 HydrophobicContact CB-CG1 3.83Å; K281-I283 HydrophobicContact CG-CD1 4.43Å; K281-I283 PolarHBondContact O-N 3.38Å
284P98.5Very high97.7Very high1 Ų141.7 Ų41.71%0.00619%0.192CC..PPolyproline II helixtrans-85156.5-178.438.1-39.8000112.6R261 I262 D282 P315 Y362R261-P284 WeakPolarHBondContact CA-O 2.87Å; R261-P284 HydrophobicContact CB-CG 4.09Å; R261-P284 HydrophobicContact CG-CG 3.53Å; I262-P284 PolarHBondContact N-O 2.88Å; D282-P284 WeakPolarHBondContact O-CD 3.17Å; P284-P315 VanDerWaalsContact CA-O 3.28Å; P284-P315 WeakPolarHBondContact CA-O 3.38Å; P284-P315 HydrophobicContact CB-CB 3.78Å; P284-Y362 HydrophobicContact CB-CD1 4.08Å; P284-Y362 HydrophobicContact CB-CD2 4.03Å; P284-Y362 HydrophobicContact CB-CE1 4.33Å; P284-Y362 HydrophobicContact CB-CE2 4.32Å; P284-Y362 HydrophobicContact CB-CG 3.93Å; P284-Y362 HydrophobicContact CG-CD1 3.58Å; P284-Y362 HydrophobicContact CG-CD2 4.21Å; P284-Y362 HydrophobicContact CG-CE1 4.21Å; P284-Y362 HydrophobicContact CG-CG 3.6Å
285I98.6Very high97.7Very high0 Ų040.9 Ų40.90%019%0.186CC..EExtended strand (participates in β ladder)trans-95149.5164.361.4179.5000110.9I262 L268 V287 V306 L309 P315 M316 V317I262-I285 HydrophobicContact CB-CG2 4.27Å; I262-I285 CarbonylContact O-C 3.59Å; I262-I285 VanDerWaalsContact O-CA 3.27Å; I262-I285 WeakPolarHBondContact O-CA 3.36Å; L268-I285 HydrophobicContact CD1-CG2 3.61Å; I285-V287 HydrophobicContact CD1-CG2 3.95Å; I285-V287 HydrophobicContact CG1-CG2 3.91Å; I285-V306 HydrophobicContact CD1-CG1 3.3Å; I285-L309 HydrophobicContact CD1-CD1 3.6Å; I285-P315 PolarHBondContact N-O 3.39Å; I285-M316 HydrophobicContact CD1-CB 4.43Å; I285-M316 HydrophobicContact CG1-CB 3.74Å; I285-M316 CarbonylContact O-C 3.46Å; I285-M316 VanDerWaalsContact O-CA 3.27Å; I285-M316 WeakPolarHBondContact O-CA 3.38Å; I285-V317 PolarHBondContact O-N 3.11Å
286E98.8Very high97.6Very high13 Ų1341.9 Ų41.96%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-99.8106.5173.4-53.6-177.8-177.400109R126 R261 I262 H264 V317R126-E286 IonicContact CZ-OE2 3.38Å; R126-E286 IonicContact NE-OE2 3.34Å; R126-E286 IonicContact NH2-OE1 3.41Å; R126-E286 PolarHBondContact NH2-OE1 3.06Å; R126-E286 VanDerWaalsContact NH2-OE1 3.14Å; R126-E286 IonicContact NH2-OE2 3.69Å; R126-E286 PolarHBondContact NH2-OE2 3.33Å; R261-E286 HydrophobicContact CB-CG 4.26Å; R261-E286 IonicContact CZ-OE1 2.95Å; R261-E286 VanDerWaalsContact CZ-OE1 3.32Å; R261-E286 IonicContact NE-OE1 3.68Å; R261-E286 PolarHBondContact NE-OE1 3.08Å; R261-E286 IonicContact NH2-OE1 3.48Å; R261-E286 PolarHBondContact NH2-OE1 3.33Å; I262-E286 PolarHBondContact O-N 3.3Å; H264-E286 WeakPolarHBondContact CA-O 3.39Å; H264-E286 PolarHBondContact N-O 2.9Å; E286-V317 HydrophobicContact CB-CG2 4.09Å; E286-V317 HydrophobicContact CG-CG2 3.73Å
287V98.6Very high97.4Very high3 Ų339.5 Ų39.52%0.01818%0.177CC..EExtended strand (participates in β ladder)trans-91.7121.8-173-174.90000109.9I285 P289 V306 M316 V317 I318 S319 V338 I342I285-V287 HydrophobicContact CD1-CG2 3.95Å; I285-V287 HydrophobicContact CG1-CG2 3.91Å; V287-P289 WeakPolarHBondContact O-CD 3.49Å; V287-V306 HydrophobicContact CG1-CG1 4.47Å; V287-V306 HydrophobicContact CG1-CG2 3.86Å; V287-V306 HydrophobicContact CG2-CG1 3.87Å; V287-M316 HydrophobicContact CG2-CB 4.09Å; V287-M316 HydrophobicContact CG2-SD 4.38Å; V287-V317 PolarHBondContact N-O 2.88Å; V287-I318 HydrophobicContact CB-CD1 3.91Å; V287-I318 HydrophobicContact CG1-CD1 4.42Å; V287-I318 HydrophobicContact CG2-CD1 4.44Å; V287-S319 PolarHBondContact O-N 3.14Å; V287-V338 HydrophobicContact CG1-CG2 4.46Å; V287-I342 HydrophobicContact CG1-CD1 4.46Å
288C98.5Very high97.3Very high4 Ų436 Ų363%0.02716%0.164CC..  trans-121.274.6-175.7-49.80000110I290 S291 N292 S319 D321C288-I290 PolarHBondContact O-N 2.81Å; C288-S291 WeakPolarHBondContact O-CB 3.17Å; C288-S291 PolarHBondContact O-N 3.47Å; C288-N292 WeakPolarHBondContact O-CB 3.36Å; C288-N292 PolarHBondContact O-N 3.49Å; C288-N292 PolarHBondContact O-OD1 3.19Å; C288-S319 WeakPolarHBondContact CA-O 3.34Å; C288-D321 HydrophobicContact CB-CB 3.88Å
289P98Very high97Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-61.6-41.9-167.627.9-38000113.1V287 N292 Q293 L301 D334 E337 V338 I342V287-P289 WeakPolarHBondContact O-CD 3.49Å; P289-N292 PolarHBondContact O-N 2.86Å; P289-Q293 PolarHBondContact O-N 2.58Å; P289-L301 HydrophobicContact CB-CD1 4.46Å; P289-L301 HydrophobicContact CB-CD2 4.1Å; P289-D334 WeakPolarHBondContact CD-OD1 3.43Å; P289-D334 HydrophobicContact CG-CB 3.75Å; P289-D334 WeakPolarHBondContact CG-O 3.29Å; P289-D334 WeakPolarHBondContact CG-OD1 3.3Å; P289-E337 HydrophobicContact CB-CB 3.99Å; P289-E337 HydrophobicContact CG-CB 3.96Å; P289-V338 HydrophobicContact CB-CG2 4.26Å; P289-V338 HydrophobicContact CG-CG2 3.81Å; P289-I342 HydrophobicContact CB-CD1 4.19Å
290I98.1Very high96.9Very high22 Ų2236.9 Ų36.911%0.11319%0.188CC..Hα-helixtrans-66.3-45.6179.6-64.7173.8000109.9C288 N292 Q293 V294 F326 A328 D334 E337C288-I290 PolarHBondContact O-N 2.81Å; I290-N292 PolarHBondContact O-N 3.15Å; I290-Q293 PolarHBondContact O-N 3.43Å; I290-V294 HydrophobicContact CG2-CG2 4.06Å; I290-V294 WeakPolarHBondContact O-CB 3.4Å; I290-V294 WeakPolarHBondContact O-CG2 3.2Å; I290-V294 PolarHBondContact O-N 3.22Å; I290-F326 HydrophobicContact CG2-CB 3.88Å; I290-F326 HydrophobicContact CG2-CD2 4.33Å; I290-F326 HydrophobicContact CG2-CG 4.37Å; I290-A328 HydrophobicContact CD1-CB 4.01Å; I290-D334 WeakPolarHBondContact CB-OD1 3.37Å; I290-D334 WeakPolarHBondContact CG1-OD1 3.39Å; I290-D334 PolarHBondContact N-OD1 2.82Å; I290-E337 HydrophobicContact CG1-CG 3.97Å
291S98.1Very high96.9Very high0 Ų029.6 Ų29.60%016%0.157CC..Hα-helixtrans-55.1-52.1174.9-179.80000111.2C288 Q293 V294 L295 D321 F326C288-S291 WeakPolarHBondContact O-CB 3.17Å; C288-S291 PolarHBondContact O-N 3.47Å; S291-Q293 PolarHBondContact O-N 2.82Å; S291-V294 PolarHBondContact O-N 3.06Å; S291-L295 VanDerWaalsContact O-CB 3.28Å; S291-L295 WeakPolarHBondContact O-CB 3.44Å; S291-L295 WeakPolarHBondContact O-CG 3.44Å; S291-L295 PolarHBondContact O-N 2.81Å; S291-L295 WeakPolarHBondContact OG-CD1 3.5Å; S291-D321 VanDerWaalsContact CB-OD2 3.22Å; S291-D321 WeakPolarHBondContact CB-OD2 3.48Å; S291-D321 PolarHBondContact OG-OD2 3.23Å; S291-F326 VanDerWaalsContact CB-CE2 3.43Å; S291-F326 WeakPolarHBondContact OG-CZ 3.01Å
292N97.5Very high96.7Very high0 Ų032.6 Ų32.60%017%0.165CC..Hα-helixtrans-60.9-33.3-177.7-63.6160.8000112.5H264 C288 P289 I290 L297 V298 H304H264-N292 PolarHBondContact ND1-ND2 3.44Å; C288-N292 WeakPolarHBondContact O-CB 3.36Å; C288-N292 PolarHBondContact O-N 3.49Å; C288-N292 PolarHBondContact O-OD1 3.19Å; P289-N292 PolarHBondContact O-N 2.86Å; I290-N292 PolarHBondContact O-N 3.15Å; N292-L297 WeakPolarHBondContact O-CA 3.46Å; N292-L297 WeakPolarHBondContact O-CB 3.42Å; N292-L297 PolarHBondContact O-N 2.96Å; N292-V298 HydrophobicContact CB-CG2 4.31Å; N292-V298 PolarHBondContact O-N 3.32Å; N292-H304 PolarHBondContact OD1-CE1 3.12Å; N292-H304 PolarHBondContact OD1-NE2 3.07Å
293Q96Very high96.6Very high79 Ų7935 Ų3537%0.36918%0.178SC..Hα-helixtrans-77.1-48.7174.8-172.1173.853.700113.3P289 I290 S291 L295 K296 V298 S299 L301P289-Q293 PolarHBondContact O-N 2.58Å; I290-Q293 PolarHBondContact O-N 3.43Å; S291-Q293 PolarHBondContact O-N 2.82Å; Q293-L295 VanDerWaalsContact C-N 3.29Å; Q293-L295 PolarHBondContact O-N 2.72Å; Q293-K296 PolarHBondContact O-N 3.07Å; Q293-V298 VanDerWaalsContact CA-O 3.28Å; Q293-V298 WeakPolarHBondContact CA-O 3.49Å; Q293-V298 WeakPolarHBondContact CG-O 3.49Å; Q293-S299 PolarHBondContact NE2-O 2.77Å; Q293-L301 HydrophobicContact CB-CD2 4.28Å
294V96.6Very high96.5Very high41 Ų4134.4 Ų34.425%0.24818%0.175CC..Hα-helixtrans-63.6-37.8-177.6171.60000111.1L68 I290 S291 K296 F326L68-V294 HydrophobicContact CB-CG1 3.99Å; L68-V294 HydrophobicContact CD1-CG1 3.58Å; L68-V294 HydrophobicContact CG-CG1 4.43Å; I290-V294 HydrophobicContact CG2-CG2 4.06Å; I290-V294 WeakPolarHBondContact O-CB 3.4Å; I290-V294 WeakPolarHBondContact O-CG2 3.2Å; I290-V294 PolarHBondContact O-N 3.22Å; S291-V294 PolarHBondContact O-N 3.06Å; V294-K296 PolarHBondContact O-N 3.28Å; V294-F326 HydrophobicContact CB-CD1 4.17Å; V294-F326 HydrophobicContact CG1-CD1 3.8Å; V294-F326 HydrophobicContact CG1-CE1 4.42Å; V294-F326 HydrophobicContact CG2-CB 4.35Å
295L96.7Very high96.3Very high0 Ų036 Ų360%019%0.185CC..THydrogen-bonded Turntrans-80.25.8176.5-61.7178.2000113.7L68 Q80 V83 W84 F87 S291 Q293 L297 F326L68-L295 HydrophobicContact CD1-CD2 4.01Å; Q80-L295 WeakPolarHBondContact CG-O 3.44Å; V83-L295 WeakPolarHBondContact CG1-O 3.42Å; V83-L295 HydrophobicContact CG2-CD2 4.09Å; W84-L295 HydrophobicContact CH2-CD1 4.03Å; W84-L295 HydrophobicContact CZ2-CD1 3.62Å; F87-L295 HydrophobicContact CB-CD2 4.26Å; F87-L295 HydrophobicContact CD1-CD2 4.03Å; F87-L295 HydrophobicContact CE1-CD1 4.36Å; F87-L295 HydrophobicContact CG-CD2 4.13Å; S291-L295 VanDerWaalsContact O-CB 3.28Å; S291-L295 WeakPolarHBondContact O-CB 3.44Å; S291-L295 WeakPolarHBondContact O-CG 3.44Å; S291-L295 PolarHBondContact O-N 2.81Å; S291-L295 WeakPolarHBondContact OG-CD1 3.5Å; Q293-L295 VanDerWaalsContact C-N 3.29Å; Q293-L295 PolarHBondContact O-N 2.72Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 HydrophobicContact CB-CD1 4.23Å; L295-L297 PolarHBondContact O-N 3.06Å; L295-F326 HydrophobicContact CD1-CZ 4.38Å; L295-F326 HydrophobicContact CD2-CE1 4.31Å; L295-F326 HydrophobicContact CG-CE1 4.29Å
296K94.7Very high96.2Very high76 Ų7636 Ų3633%0.3319%0.185SC..THydrogen-bonded Turntrans6428.6174.1-54.7-172.4131.2-94.60115Y77 Q80 V83 Q293 V294Y77-K296 WeakPolarHBondContact O-CD 3.49Å; Y77-K296 WeakPolarHBondContact O-CE 3.36Å; Y77-K296 PolarHBondContact O-NZ 3.32Å; Q80-K296 HydrophobicContact CG-CB 3.93Å; Q80-K296 WeakPolarHBondContact CG-O 3.18Å; Q80-K296 PolarHBondContact NE2-O 2.88Å; Q80-K296 VanDerWaalsContact NE2-O 3.09Å; V83-K296 HydrophobicContact CG1-CD 4.41Å; V83-K296 HydrophobicContact CG1-CG 4.24Å; Q293-K296 PolarHBondContact O-N 3.07Å; V294-K296 PolarHBondContact O-N 3.28Å
297L94.1Very high96.1Very high11 Ų1136.8 Ų36.86%0.05819%0.193CC..SBendtrans-83.5-31.7170.4-62.6157000110.8E239 D241 F266 N292 L295E239-L297 HydrophobicContact CG-CD1 3.5Å; E239-L297 WeakPolarHBondContact OE1-CD1 3.31Å; D241-L297 VanDerWaalsContact OD1-O 3.07Å; F266-L297 HydrophobicContact CE1-CD1 4.49Å; F266-L297 HydrophobicContact CZ-CB 4.04Å; F266-L297 HydrophobicContact CZ-CD1 4.26Å; F266-L297 HydrophobicContact CZ-CD2 4.39Å; F266-L297 HydrophobicContact CZ-CG 4.47Å; N292-L297 WeakPolarHBondContact O-CA 3.46Å; N292-L297 WeakPolarHBondContact O-CB 3.42Å; N292-L297 PolarHBondContact O-N 2.96Å; L295-L297 VanDerWaalsContact C-N 3.3Å; L295-L297 HydrophobicContact CB-CD1 4.23Å; L295-L297 PolarHBondContact O-N 3.06Å
298V93.9Very high95.9Very high10 Ų1040.2 Ų40.26%0.06122%0.215CC..  trans-133.7120.7176.5-179.70000109.4N292 Q293 D300 L301 H304N292-V298 HydrophobicContact CB-CG2 4.31Å; N292-V298 PolarHBondContact O-N 3.32Å; Q293-V298 VanDerWaalsContact CA-O 3.28Å; Q293-V298 WeakPolarHBondContact CA-O 3.49Å; Q293-V298 WeakPolarHBondContact CG-O 3.49Å; V298-D300 VanDerWaalsContact CG1-O 3.3Å; V298-D300 WeakPolarHBondContact CG1-O 3.35Å; V298-L301 HydrophobicContact CG1-CD2 4.32Å; V298-H304 HydrophobicContact CG1-CB 4.15Å
299S92.2Very high95.8Very high113 Ų11340 Ų4079%0.7921%0.213SC*.SBendtrans-77.8-41.7178.553.10000112.8Q293Q293-S299 PolarHBondContact NE2-O 2.77Å
300D94.8Very high95.7Very high41 Ų4141.8 Ų41.822%0.21922%0.222CC..  trans-127.5117.4-178.2-178.3-10.9000109.4V298 R302 N303V298-D300 VanDerWaalsContact CG1-O 3.3Å; V298-D300 WeakPolarHBondContact CG1-O 3.35Å; D300-R302 PolarHBondContact O-N 3.32Å; D300-R302 VanDerWaalsContact O-N 3.16Å; D300-R302 VanDerWaalsContact OD1-CB 3.29Å; D300-R302 WeakPolarHBondContact OD1-CB 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.3Å; D300-R302 IonicContact OD1-CZ 3.77Å; D300-R302 PolarHBondContact OD1-N 3.03Å; D300-R302 IonicContact OD1-NE 2.66Å; D300-R302 PolarHBondContact OD1-NE 3.45Å; D300-R302 IonicContact OD1-NH2 3.9Å; D300-R302 IonicContact OD2-CZ 3.41Å; D300-R302 VanDerWaalsContact OD2-CZ 3.23Å; D300-R302 IonicContact OD2-NE 3.92Å; D300-R302 PolarHBondContact OD2-NE 2.88Å; D300-R302 IonicContact OD2-NH2 3.23Å; D300-R302 PolarHBondContact OD2-NH2 3.03Å; D300-N303 WeakPolarHBondContact O-CA 3.42Å; D300-N303 WeakPolarHBondContact O-CB 3.37Å; D300-N303 PolarHBondContact O-N 3.11Å
301L96.6Very high95.4Very high6 Ų645 Ų453%0.03125%0.252CS..G310 helixtrans-64.2-19.4-176.7-66.3173.1000113.2P289 Q293 V298 N303 H304 E337 I342P289-L301 HydrophobicContact CB-CD1 4.46Å; P289-L301 HydrophobicContact CB-CD2 4.1Å; Q293-L301 HydrophobicContact CB-CD2 4.28Å; V298-L301 HydrophobicContact CG1-CD2 4.32Å; L301-N303 PolarHBondContact O-N 2.73Å; L301-H304 WeakPolarHBondContact O-CB 3.45Å; L301-H304 PolarHBondContact O-N 3.29Å; L301-H304 VanDerWaalsContact O-N 3.11Å; L301-E337 HydrophobicContact CD1-CB 3.85Å; L301-E337 HydrophobicContact CD1-CG 4Å; L301-E337 WeakPolarHBondContact CD1-OE2 3.41Å; L301-I342 HydrophobicContact CB-CG1 4.48Å
302R95.1Very high95.2Very high178 Ų17848.3 Ų48.367%0.67227%0.272SS*.G310 helixtrans-65.4-23.5171-59173.8-63.9177.82.6112.8D300 G341D300-R302 PolarHBondContact O-N 3.32Å; D300-R302 VanDerWaalsContact O-N 3.16Å; D300-R302 VanDerWaalsContact OD1-CB 3.29Å; D300-R302 WeakPolarHBondContact OD1-CB 3.33Å; D300-R302 WeakPolarHBondContact OD1-CG 3.3Å; D300-R302 IonicContact OD1-CZ 3.77Å; D300-R302 PolarHBondContact OD1-N 3.03Å; D300-R302 IonicContact OD1-NE 2.66Å; D300-R302 PolarHBondContact OD1-NE 3.45Å; D300-R302 IonicContact OD1-NH2 3.9Å; D300-R302 IonicContact OD2-CZ 3.41Å; D300-R302 VanDerWaalsContact OD2-CZ 3.23Å; D300-R302 IonicContact OD2-NE 3.92Å; D300-R302 PolarHBondContact OD2-NE 2.88Å; D300-R302 IonicContact OD2-NH2 3.23Å; D300-R302 PolarHBondContact OD2-NH2 3.03Å; R302-G341 VanDerWaalsContact CA-O 3.3Å; R302-G341 WeakPolarHBondContact CA-O 3.15Å
303N94.8Very high95Very high122 Ų12250.8 Ų50.865%0.65230%0.298SS*.G310 helixtrans-101.29.2176.7-60.3-43.4000112.3D300 L301 P305D300-N303 WeakPolarHBondContact O-CA 3.42Å; D300-N303 WeakPolarHBondContact O-CB 3.37Å; D300-N303 PolarHBondContact O-N 3.11Å; L301-N303 PolarHBondContact O-N 2.73Å; N303-P305 WeakPolarHBondContact O-CD 3.5Å
304H96.9Very high95.1Very high2 Ų247.3 Ų47.31%0.00928%0.281CS..  trans-60.8129.2-176.7-162.7-27.9000110.4F266 N292 V298 L301 V306 A307 I342F266-H304 AromaticContact CD1-CE1 3.86Å; F266-H304 AromaticContact CG-CE1 3.96Å; N292-H304 PolarHBondContact OD1-CE1 3.12Å; N292-H304 PolarHBondContact OD1-NE2 3.07Å; V298-H304 HydrophobicContact CG1-CB 4.15Å; L301-H304 WeakPolarHBondContact O-CB 3.45Å; L301-H304 PolarHBondContact O-N 3.29Å; L301-H304 VanDerWaalsContact O-N 3.11Å; H304-V306 HydrophobicContact CB-CG2 4.19Å; H304-V306 WeakPolarHBondContact CE1-CG2 3.37Å; H304-V306 VanDerWaalsContact CG-CG2 3.4Å; H304-V306 WeakPolarHBondContact ND1-CG2 3.45Å; H304-V306 PolarHBondContact O-N 2.72Å; H304-A307 VanDerWaalsContact O-CB 3.31Å; H304-A307 WeakPolarHBondContact O-CB 3.33Å; H304-A307 PolarHBondContact O-N 2.86Å; H304-I342 HydrophobicContact CB-CD1 4.06Å; H304-I342 HydrophobicContact CB-CG1 3.97Å; H304-I342 VanDerWaalsContact CD2-CD1 3.49Å; H304-I342 WeakPolarHBondContact CD2-CD1 3.22Å
305P94.6Very high95.2Very high35 Ų3545.8 Ų45.823%0.22727%0.272CS..THydrogen-bonded Turntrans-57.3-24.7-175.4-28.332.1000115.5F266 S269 N303 A307 T308F266-P305 HydrophobicContact CB-CB 4.26Å; F266-P305 HydrophobicContact CD2-CB 4.48Å; F266-P305 HydrophobicContact CD2-CG 4.19Å; S269-P305 WeakPolarHBondContact OG-CB 3.37Å; N303-P305 WeakPolarHBondContact O-CD 3.5Å; P305-A307 PolarHBondContact O-N 3.12Å; P305-T308 PolarHBondContact O-N 2.98Å; P305-T308 PolarHBondContact O-OG1 3.46Å
306V96.3Very high95.3Very high1 Ų146 Ų461%0.00627%0.273CS..Hα-helixtrans-65.9-18.4173.9-96.90000114.5F266 I285 V287 H304 T308 L309 M310 I342F266-V306 HydrophobicContact CB-CG1 4.18Å; I285-V306 HydrophobicContact CD1-CG1 3.3Å; V287-V306 HydrophobicContact CG1-CG1 4.47Å; V287-V306 HydrophobicContact CG1-CG2 3.86Å; V287-V306 HydrophobicContact CG2-CG1 3.87Å; H304-V306 HydrophobicContact CB-CG2 4.19Å; H304-V306 WeakPolarHBondContact CE1-CG2 3.37Å; H304-V306 VanDerWaalsContact CG-CG2 3.4Å; H304-V306 WeakPolarHBondContact ND1-CG2 3.45Å; H304-V306 PolarHBondContact O-N 2.72Å; V306-T308 PolarHBondContact O-N 3.35Å; V306-L309 HydrophobicContact CG1-CB 4.37Å; V306-L309 HydrophobicContact CG1-CD1 3.88Å; V306-L309 HydrophobicContact CG1-CG 4.41Å; V306-L309 CarbonylContact O-C 3.3Å; V306-L309 WeakPolarHBondContact O-CA 3.31Å; V306-L309 WeakPolarHBondContact O-CB 3.41Å; V306-L309 PolarHBondContact O-N 2.83Å; V306-M310 WeakPolarHBondContact O-CB 3.41Å; V306-M310 PolarHBondContact O-N 3.44Å; V306-I342 HydrophobicContact CG2-CD1 4.1Å; V306-I342 HydrophobicContact CG2-CG2 4.43Å
307A96.2Very high95.4Very high28 Ų2842.8 Ų42.823%0.23126%0.261CS..Hα-helixtrans-55-40.4174.600000111.1H304 P305 A311 I342H304-A307 VanDerWaalsContact O-CB 3.31Å; H304-A307 WeakPolarHBondContact O-CB 3.33Å; H304-A307 PolarHBondContact O-N 2.86Å; P305-A307 PolarHBondContact O-N 3.12Å; A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 2.56Å; A307-I342 HydrophobicContact CB-CG2 3.95Å
308T94.3Very high95.7Very high75 Ų7542.6 Ų42.646%0.4626%0.259SS..Hα-helixtrans-70-34.117668.40000112.9R275 P305 V306 T312R275-T308 PolarHBondContact NH1-O 3.29Å; P305-T308 PolarHBondContact O-N 2.98Å; P305-T308 PolarHBondContact O-OG1 3.46Å; V306-T308 PolarHBondContact O-N 3.35Å; T308-T312 WeakPolarHBondContact O-CG2 3.27Å; T308-T312 PolarHBondContact O-N 3.24Å; T308-T312 PolarHBondContact O-OG1 3.1Å
309L96.1Very high95.9Very high0 Ų043.5 Ų43.50%027%0.266CS..Hα-helixtrans-69.1-45.3176.9-56.5-172.2000109.9L268 R275 I285 V306 T312 G313 H314 M316L268-L309 HydrophobicContact CB-CD1 4.08Å; R275-L309 HydrophobicContact CG-CD2 4.1Å; R275-L309 VanDerWaalsContact NH1-CD2 3.26Å; I285-L309 HydrophobicContact CD1-CD1 3.6Å; V306-L309 HydrophobicContact CG1-CB 4.37Å; V306-L309 HydrophobicContact CG1-CD1 3.88Å; V306-L309 HydrophobicContact CG1-CG 4.41Å; V306-L309 CarbonylContact O-C 3.3Å; V306-L309 WeakPolarHBondContact O-CA 3.31Å; V306-L309 WeakPolarHBondContact O-CB 3.41Å; V306-L309 PolarHBondContact O-N 2.83Å; L309-T312 PolarHBondContact O-N 2.85Å; L309-T312 PolarHBondContact O-OG1 3.24Å; L309-G313 PolarHBondContact O-N 2.83Å; L309-H314 HydrophobicContact CB-CB 3.91Å; L309-H314 WeakPolarHBondContact O-CB 3.26Å; L309-H314 PolarHBondContact O-N 3.1Å; L309-M316 HydrophobicContact CB-CE 4.13Å
310M95.8Very high96.1Very high37 Ų3738.7 Ų38.718%0.18223%0.233CC..Hα-helixtrans-61.5-48.3177.3-176.2176.6-71.100111.6V306 T312 G313 M316 V338 I342 T351 L355V306-M310 WeakPolarHBondContact O-CB 3.41Å; V306-M310 PolarHBondContact O-N 3.44Å; M310-T312 PolarHBondContact O-N 2.96Å; M310-T312 VanDerWaalsContact O-N 3.09Å; M310-G313 PolarHBondContact O-N 2.93Å; M310-M316 VanDerWaalsContact CA-CE 3.43Å; M310-M316 HydrophobicContact CB-CE 3.7Å; M310-M316 HydrophobicContact CB-SD 4.04Å; M310-M316 HydrophobicContact CE-SD 3.48Å; M310-M316 WeakPolarHBondContact CE-SD 3.19Å; M310-M316 HydrophobicContact CG-CE 4.42Å; M310-M316 HydrophobicContact CG-SD 4.25Å; M310-V338 HydrophobicContact CE-CG1 3.53Å; M310-I342 HydrophobicContact CE-CG2 4.41Å; M310-T351 HydrophobicContact SD-CG2 4.47Å; M310-L355 HydrophobicContact CE-CD1 4.31Å; M310-L355 HydrophobicContact CE-CD2 4.3Å
311A93.3Very high96.3Very high90 Ų9038.8 Ų38.874%0.74423%0.233SC*.Hα-helixtrans-59.4-2517900000113.3A307A307-A311 WeakPolarHBondContact O-CB 3.47Å; A307-A311 PolarHBondContact O-N 2.56Å
312T92.9Very high96.3Very high70 Ų7040.8 Ų40.843%0.42924%0.244SC..THydrogen-bonded Turntrans-99.17.2178.459.30000114.3R275 T308 L309 M310 H314R275-T312 VanDerWaalsContact CZ-OG1 3.23Å; R275-T312 PolarHBondContact NH1-OG1 2.85Å; R275-T312 PolarHBondContact NH2-OG1 2.92Å; T308-T312 WeakPolarHBondContact O-CG2 3.27Å; T308-T312 PolarHBondContact O-N 3.24Å; T308-T312 PolarHBondContact O-OG1 3.1Å; L309-T312 PolarHBondContact O-N 2.85Å; L309-T312 PolarHBondContact O-OG1 3.24Å; M310-T312 PolarHBondContact O-N 2.96Å; M310-T312 VanDerWaalsContact O-N 3.09Å; T312-H314 PolarHBondContact O-N 2.9Å
313G93.9Very high96.5Very high52 Ų5233 Ų3354%0.53622%0.216SC..THydrogen-bonded Turntrans68.231.6178.800000113.8L309 M310L309-G313 PolarHBondContact O-N 2.83Å; M310-G313 PolarHBondContact O-N 2.93Å
314H97.9Very high96.5Very high5 Ų528.4 Ų28.42%0.02320%0.196CC..  trans-64.7133.7170.9-164.975.8000109.9S278 L309 T312 M316S278-H314 PolarHBondContact OG-CE1 3.33Å; L309-H314 HydrophobicContact CB-CB 3.91Å; L309-H314 WeakPolarHBondContact O-CB 3.26Å; L309-H314 PolarHBondContact O-N 3.1Å; T312-H314 PolarHBondContact O-N 2.9Å; H314-M316 WeakPolarHBondContact O-CE 3.38Å; H314-M316 PolarHBondContact O-N 2.79Å
315P98Very high96.5Very high9 Ų928.6 Ų28.66%0.05820%0.196CC..  trans-50.4129.3172.9-33.439.5000112.3D282 P284 I285 Y362D282-P315 VanDerWaalsContact OD1-CG 3.24Å; D282-P315 WeakPolarHBondContact OD1-CG 3.48Å; P284-P315 VanDerWaalsContact CA-O 3.28Å; P284-P315 WeakPolarHBondContact CA-O 3.38Å; P284-P315 HydrophobicContact CB-CB 3.78Å; I285-P315 PolarHBondContact N-O 3.39Å; P315-Y362 HydrophobicContact CB-CE1 4.24Å; P315-Y362 HydrophobicContact CB-CE2 4.14Å; P315-Y362 WeakPolarHBondContact CB-OH 3.27Å
316M98.3Very high96.7Very high4 Ų427.6 Ų27.62%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-156152.4177.162.1-176.465.700112.4I285 V287 L309 M310 H314 L355 N358I285-M316 HydrophobicContact CD1-CB 4.43Å; I285-M316 HydrophobicContact CG1-CB 3.74Å; I285-M316 CarbonylContact O-C 3.46Å; I285-M316 VanDerWaalsContact O-CA 3.27Å; I285-M316 WeakPolarHBondContact O-CA 3.38Å; V287-M316 HydrophobicContact CG2-CB 4.09Å; V287-M316 HydrophobicContact CG2-SD 4.38Å; L309-M316 HydrophobicContact CB-CE 4.13Å; M310-M316 VanDerWaalsContact CA-CE 3.43Å; M310-M316 HydrophobicContact CB-CE 3.7Å; M310-M316 HydrophobicContact CB-SD 4.04Å; M310-M316 HydrophobicContact CE-SD 3.48Å; M310-M316 WeakPolarHBondContact CE-SD 3.19Å; M310-M316 HydrophobicContact CG-CE 4.42Å; M310-M316 HydrophobicContact CG-SD 4.25Å; H314-M316 WeakPolarHBondContact O-CE 3.38Å; H314-M316 PolarHBondContact O-N 2.79Å; M316-L355 HydrophobicContact CG-CD2 3.89Å; M316-L355 HydrophobicContact SD-CD2 4.2Å; M316-N358 WeakPolarHBondContact O-CB 3.32Å; M316-N358 PolarHBondContact O-ND2 3.04Å
317V98.5Very high96.6Very high10 Ų1030 Ų306%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-124.4148.3169.5-60.10000108.7I285 E286 V287 N358 Y362I285-V317 PolarHBondContact O-N 3.11Å; E286-V317 HydrophobicContact CB-CG2 4.09Å; E286-V317 HydrophobicContact CG-CG2 3.73Å; V287-V317 PolarHBondContact N-O 2.88Å; V317-N358 HydrophobicContact CG1-CB 4.27Å; V317-Y362 HydrophobicContact CG1-CD2 4Å; V317-Y362 HydrophobicContact CG1-CG 4.41Å
318I98.6Very high96.6Very high6 Ų629.6 Ų29.63%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-94.6132.9175.7-51-48.5000108.1V287 L331 D334 F335 V338 L355V287-I318 HydrophobicContact CB-CD1 3.91Å; V287-I318 HydrophobicContact CG1-CD1 4.42Å; V287-I318 HydrophobicContact CG2-CD1 4.44Å; I318-L331 HydrophobicContact CG2-CD1 4.47Å; I318-D334 HydrophobicContact CG2-CB 3.76Å; I318-F335 HydrophobicContact CB-CD2 3.95Å; I318-F335 HydrophobicContact CB-CE2 3.64Å; I318-F335 HydrophobicContact CB-CZ 4.07Å; I318-F335 HydrophobicContact CG1-CE2 4.28Å; I318-F335 HydrophobicContact CG1-CZ 4.28Å; I318-F335 HydrophobicContact CG2-CD2 3.84Å; I318-F335 HydrophobicContact CG2-CE2 4.03Å; I318-V338 HydrophobicContact CD1-CB 4.27Å; I318-V338 HydrophobicContact CD1-CG1 3.97Å; I318-V338 HydrophobicContact CD1-CG2 3.61Å; I318-V338 HydrophobicContact CG1-CG1 4.46Å; I318-V338 HydrophobicContact CG1-CG2 4.17Å; I318-V338 HydrophobicContact CG2-CG2 4.09Å; I318-L355 HydrophobicContact CD1-CD1 4.28Å; I318-L355 HydrophobicContact CD1-CD2 4.04Å; I318-L355 HydrophobicContact CG1-CB 4.31Å; I318-L355 HydrophobicContact CG1-CD1 4.02Å; I318-L355 HydrophobicContact CG1-CD2 4.16Å; I318-L355 HydrophobicContact CG1-CG 4.39Å
319S98.3Very high96.5Very high30 Ų3030 Ų3021%0.2121%0.205CC..  trans-132.8154.4-177.2-68.60000110V287 C288V287-S319 PolarHBondContact O-N 3.14Å; C288-S319 WeakPolarHBondContact CA-O 3.34Å
320S97.8Very high96.5Very high12 Ų1230.1 Ų30.18%0.08421%0.207CC..  trans-93.7-14-178.459.90000114.1F115 D322 P323 G330 D334F115-S320 WeakPolarHBondContact CZ-OG 3.45Å; S320-D322 PolarHBondContact O-N 2.8Å; S320-D322 VanDerWaalsContact O-N 3.16Å; S320-P323 WeakPolarHBondContact O-CD 3.44Å; S320-G330 WeakPolarHBondContact CB-O 3.41Å; S320-D334 WeakPolarHBondContact CA-OD2 3.2Å
321D98.1Very high96.6Very high43 Ų4329.7 Ų29.723%0.2321%0.205CC..SBendtrans55.8-112.1-173.4-165.125.3000111.3H264 C288 S291 P323 F326H264-D321 IonicContact CE1-OD2 3.68Å; C288-D321 HydrophobicContact CB-CB 3.88Å; S291-D321 VanDerWaalsContact CB-OD2 3.22Å; S291-D321 WeakPolarHBondContact CB-OD2 3.48Å; S291-D321 PolarHBondContact OG-OD2 3.23Å; D321-P323 WeakPolarHBondContact O-CD 3.44Å; D321-F326 HydrophobicContact CB-CE2 4.07Å
322D97.8Very high96.8Very high47 Ų4728.1 Ų28.125%0.25119%0.189SC..SBendtrans-106.364.7176.2-72.9-82.1000113.8F87 F91 S320 A324 M325 F326F87-D322 HydrophobicContact CE2-CB 3.86Å; F87-D322 HydrophobicContact CZ-CB 3.82Å; F87-D322 WeakPolarHBondContact CZ-OD2 3.37Å; F91-D322 WeakPolarHBondContact CZ-OD1 3.47Å; S320-D322 PolarHBondContact O-N 2.8Å; S320-D322 VanDerWaalsContact O-N 3.16Å; D322-A324 VanDerWaalsContact C-N 3.28Å; D322-A324 PolarHBondContact O-N 3.04Å; D322-A324 VanDerWaalsContact O-N 3.09Å; D322-M325 HydrophobicContact CB-CB 4.34Å; D322-M325 HydrophobicContact CB-CG 4.38Å; D322-M325 PolarHBondContact O-N 2.89Å; D322-F326 HydrophobicContact CB-CE2 3.94Å; D322-F326 HydrophobicContact CB-CZ 3.93Å; D322-F326 VanDerWaalsContact O-CD2 3.27Å; D322-F326 WeakPolarHBondContact O-CD2 3.39Å; D322-F326 PolarHBondContact O-N 3.43Å
323P97.3Very high97Very high15 Ų1531.3 Ų31.310%0.09719%0.194CC..Hα-helixtrans-57.3-39.8-166.922-33.4000113F115 S320 D321 M325 F326 G327 A328F115-P323 HydrophobicContact CE2-CG 4.45Å; F115-P323 HydrophobicContact CZ-CG 4.01Å; S320-P323 WeakPolarHBondContact O-CD 3.44Å; D321-P323 WeakPolarHBondContact O-CD 3.44Å; P323-M325 VanDerWaalsContact C-N 3.26Å; P323-M325 PolarHBondContact O-N 3.19Å; P323-F326 CarbonylContact O-C 3.52Å; P323-F326 PolarHBondContact O-N 3.17Å; P323-F326 VanDerWaalsContact O-N 3.1Å; P323-G327 PolarHBondContact O-N 2.84Å; P323-A328 CarbonylContact C-O 3.33Å; P323-A328 VanDerWaalsContact C-O 3.3Å; P323-A328 HydrophobicContact CB-CB 4.03Å; P323-A328 CarbonylContact O-C 3.18Å; P323-A328 PolarHBondContact O-N 3.07Å; P323-A328 VanDerWaalsContact O-O 3.05Å
324A95.7Very high97.3Very high26 Ų2628.9 Ų28.922%0.21517%0.168CC..Hα-helixtrans-62.6-32.2-178.600000112.8M1 D322M1-A324 HydrophobicContact CE-CB 3.98Å; M1-A324 HydrophobicContact CG-CB 4.1Å; M1-A324 VanDerWaalsContact CG-O 3.26Å; M1-A324 WeakPolarHBondContact CG-O 3.38Å; M1-A324 HydrophobicContact SD-CB 4.36Å; D322-A324 VanDerWaalsContact C-N 3.28Å; D322-A324 PolarHBondContact O-N 3.04Å; D322-A324 VanDerWaalsContact O-N 3.09Å
325M97.6Very high97.3Very high6 Ų630.4 Ų30.43%0.0318%0.175CC..Hα-helixtrans-78.1-31.2176.5-61.8-163.5-169.400111.7M1 T67 L68 F87 I90 F91 I94 D322 P323 G327M1-M325 HydrophobicContact CE-CE 4.22Å; M1-M325 HydrophobicContact CE-CG 3.62Å; T67-M325 CarbonylContact C-O 3.51Å; T67-M325 WeakPolarHBondContact CA-O 3.48Å; T67-M325 WeakPolarHBondContact CB-O 3.48Å; L68-M325 PolarHBondContact N-O 3.45Å; F87-M325 HydrophobicContact CD2-CB 4.29Å; F87-M325 HydrophobicContact CD2-SD 3.73Å; F87-M325 HydrophobicContact CE2-CB 3.95Å; F87-M325 HydrophobicContact CE2-CG 4.26Å; F87-M325 HydrophobicContact CE2-SD 3.45Å; F87-M325 WeakPolarHBondContact CE2-SD 3.4Å; F87-M325 HydrophobicContact CZ-SD 4.48Å; I90-M325 HydrophobicContact CB-CE 4.46Å; I90-M325 HydrophobicContact CB-SD 3.85Å; I90-M325 HydrophobicContact CD1-CB 4.48Å; I90-M325 HydrophobicContact CD1-SD 4.36Å; I90-M325 HydrophobicContact CG2-CE 3.74Å; I90-M325 HydrophobicContact CG2-CG 3.98Å; I90-M325 HydrophobicContact CG2-SD 3.46Å; I90-M325 WeakPolarHBondContact CG2-SD 3.35Å; F91-M325 HydrophobicContact CD1-CE 3.53Å; F91-M325 HydrophobicContact CD2-CE 3.98Å; F91-M325 HydrophobicContact CD2-SD 4.19Å; F91-M325 HydrophobicContact CE1-CE 3.38Å; F91-M325 HydrophobicContact CE1-SD 4.37Å; F91-M325 HydrophobicContact CE2-CE 3.85Å; F91-M325 HydrophobicContact CE2-SD 3.83Å; F91-M325 HydrophobicContact CG-CE 3.84Å; F91-M325 HydrophobicContact CZ-CE 3.56Å; F91-M325 HydrophobicContact CZ-SD 3.93Å; I94-M325 HydrophobicContact CD1-CE 3.86Å; D322-M325 HydrophobicContact CB-CB 4.34Å; D322-M325 HydrophobicContact CB-CG 4.38Å; D322-M325 PolarHBondContact O-N 2.89Å; P323-M325 VanDerWaalsContact C-N 3.26Å; P323-M325 PolarHBondContact O-N 3.19Å; M325-G327 VanDerWaalsContact C-N 3.25Å; M325-G327 PolarHBondContact O-N 2.85Å
326F97.4Very high97.3Very high14 Ų1436.1 Ų36.16%0.06120%0.196CC..Hα-helixtrans-79-6.9176.5-52.3-36.2000113.7L68 F87 I290 S291 V294 L295 D321 D322 P323 A328L68-F326 HydrophobicContact CD1-CD1 3.97Å; L68-F326 HydrophobicContact CD1-CE1 4.02Å; F87-F326 HydrophobicContact CD2-CE1 4.18Å; F87-F326 AromaticContact CE2-CE1 3.69Å; F87-F326 HydrophobicContact CE2-CE1 3.69Å; F87-F326 AromaticContact CE2-CZ 4Å; F87-F326 HydrophobicContact CE2-CZ 4Å; F87-F326 HydrophobicContact CZ-CE1 4.02Å; F87-F326 AromaticContact CZ-CZ 3.9Å; F87-F326 HydrophobicContact CZ-CZ 3.9Å; I290-F326 HydrophobicContact CG2-CB 3.88Å; I290-F326 HydrophobicContact CG2-CD2 4.33Å; I290-F326 HydrophobicContact CG2-CG 4.37Å; S291-F326 VanDerWaalsContact CB-CE2 3.43Å; S291-F326 WeakPolarHBondContact OG-CZ 3.01Å; V294-F326 HydrophobicContact CB-CD1 4.17Å; V294-F326 HydrophobicContact CG1-CD1 3.8Å; V294-F326 HydrophobicContact CG1-CE1 4.42Å; V294-F326 HydrophobicContact CG2-CB 4.35Å; L295-F326 HydrophobicContact CD1-CZ 4.38Å; L295-F326 HydrophobicContact CD2-CE1 4.31Å; L295-F326 HydrophobicContact CG-CE1 4.29Å; D321-F326 HydrophobicContact CB-CE2 4.07Å; D322-F326 HydrophobicContact CB-CE2 3.94Å; D322-F326 HydrophobicContact CB-CZ 3.93Å; D322-F326 VanDerWaalsContact O-CD2 3.27Å; D322-F326 WeakPolarHBondContact O-CD2 3.39Å; D322-F326 PolarHBondContact O-N 3.43Å; P323-F326 CarbonylContact O-C 3.52Å; P323-F326 PolarHBondContact O-N 3.17Å; P323-F326 VanDerWaalsContact O-N 3.1Å; F326-A328 VanDerWaalsContact C-N 3.33Å
327G94.7Very high97.3Very high51 Ų5138.6 Ų38.653%0.52621%0.208SC..THydrogen-bonded Turntrans82.111.5-175.500000114V69 P323 M325V69-G327 VanDerWaalsContact CG2-CA 3.48Å; P323-G327 PolarHBondContact O-N 2.84Å; M325-G327 VanDerWaalsContact C-N 3.25Å; M325-G327 PolarHBondContact O-N 2.85Å
328A95.3Very high97.2Very high20 Ų2038.1 Ų38.117%0.16521%0.205CC..  trans-93.6166.3173.100000111.3I290 P323 F326I290-A328 HydrophobicContact CD1-CB 4.01Å; P323-A328 CarbonylContact C-O 3.33Å; P323-A328 VanDerWaalsContact C-O 3.3Å; P323-A328 HydrophobicContact CB-CB 4.03Å; P323-A328 CarbonylContact O-C 3.18Å; P323-A328 PolarHBondContact O-N 3.07Å; P323-A328 VanDerWaalsContact O-O 3.05Å; F326-A328 VanDerWaalsContact C-N 3.33Å
329K93.4Very high97.2Very high82 Ų8240.3 Ų40.336%0.35722%0.215SC..  trans-133.9134.5174.1-176.6-174.4176.5-170.70109.3E114 E117 Y333E114-K329 HydrophobicContact CB-CG 4.43Å; E117-K329 IonicContact OE2-NZ 2.83Å; E117-K329 PolarHBondContact OE2-NZ 3.49Å; K329-Y333 WeakPolarHBondContact O-CD2 3.49Å
330G95.5Very high97.1Very high3 Ų344 Ų443%0.03123%0.23CC..SBendtrans67.3-141.3178.800000112.4D118 S320D118-G330 WeakPolarHBondContact OD2-CA 3.39Å; S320-G330 WeakPolarHBondContact CB-O 3.41Å
331L97.9Very high97Very high28 Ų2844 Ų4415%0.14723%0.232CC..SBendtrans-131.6-19-171.7-173.960.2000113.3F115 D118 V120 I318 Y333 D334 F335F115-L331 HydrophobicContact CE1-CB 4.26Å; D118-L331 PolarHBondContact OD2-N 3.46Å; V120-L331 HydrophobicContact CG2-CB 3.83Å; V120-L331 HydrophobicContact CG2-CD2 3.96Å; I318-L331 HydrophobicContact CG2-CD1 4.47Å; L331-Y333 PolarHBondContact O-N 2.68Å; L331-D334 HydrophobicContact CD1-CB 4.25Å; L331-D334 PolarHBondContact O-N 3.23Å; L331-D334 VanDerWaalsContact O-N 3.09Å; L331-F335 HydrophobicContact CD1-CD2 4.42Å; L331-F335 HydrophobicContact CD1-CE2 4.39Å; L331-F335 HydrophobicContact CD2-CD2 4.3Å; L331-F335 HydrophobicContact CD2-CE2 3.74Å; L331-F335 HydrophobicContact CG-CD2 3.82Å; L331-F335 HydrophobicContact CG-CE2 3.77Å; L331-F335 PolarHBondContact O-N 3.34Å; L331-F335 VanDerWaalsContact O-N 3.15Å
332S97.9Very high97Very high57 Ų5742.4 Ų42.440%0.39922%0.223SC..Hα-helixtrans-59.1-34.2-177-720000113.1D118 F335 Y336D118-S332 WeakPolarHBondContact OD1-CB 3.36Å; D118-S332 PolarHBondContact OD1-OG 3.42Å; D118-S332 WeakPolarHBondContact OD2-CB 3.28Å; D118-S332 PolarHBondContact OD2-N 2.76Å; D118-S332 PolarHBondContact OD2-OG 2.84Å; S332-F335 PolarHBondContact O-N 3.39Å; S332-Y336 WeakPolarHBondContact O-CB 3.33Å; S332-Y336 PolarHBondContact O-N 3.32Å
333Y97.9Very high96.8Very high137 Ų13741.3 Ų41.354%0.53722%0.222SC..Hα-helixtrans-64.8-41.1176.5-65.7-70.3000111.6K329 L331 F335 Y336 E337K329-Y333 WeakPolarHBondContact O-CD2 3.49Å; L331-Y333 PolarHBondContact O-N 2.68Å; Y333-F335 VanDerWaalsContact C-N 3.35Å; Y333-F335 PolarHBondContact O-N 3.34Å; Y333-Y336 WeakPolarHBondContact O-CB 3.46Å; Y333-Y336 PolarHBondContact O-N 3.14Å; Y333-Y336 VanDerWaalsContact O-N 3.16Å; Y333-E337 WeakPolarHBondContact O-CG 3.49Å; Y333-E337 PolarHBondContact O-N 2.74Å
334D98.6Very high96.5Very high1 Ų142.6 Ų42.61%0.00524%0.238CC..Hα-helixtrans-66.1-38.3176-65.2-83.8000111.7P289 I290 I318 S320 L331 Y336 E337 V338P289-D334 WeakPolarHBondContact CD-OD1 3.43Å; P289-D334 HydrophobicContact CG-CB 3.75Å; P289-D334 WeakPolarHBondContact CG-O 3.29Å; P289-D334 WeakPolarHBondContact CG-OD1 3.3Å; I290-D334 WeakPolarHBondContact CB-OD1 3.37Å; I290-D334 WeakPolarHBondContact CG1-OD1 3.39Å; I290-D334 PolarHBondContact N-OD1 2.82Å; I318-D334 HydrophobicContact CG2-CB 3.76Å; S320-D334 WeakPolarHBondContact CA-OD2 3.2Å; L331-D334 HydrophobicContact CD1-CB 4.25Å; L331-D334 PolarHBondContact O-N 3.23Å; L331-D334 VanDerWaalsContact O-N 3.09Å; D334-Y336 VanDerWaalsContact C-N 3.32Å; D334-Y336 PolarHBondContact O-N 2.95Å; D334-E337 PolarHBondContact O-N 2.56Å; D334-V338 WeakPolarHBondContact O-CB 3.48Å; D334-V338 VanDerWaalsContact O-CG2 3.28Å; D334-V338 WeakPolarHBondContact O-CG2 3.39Å; D334-V338 PolarHBondContact O-N 3.47Å
335F98.5Very high96.3Very high38 Ų3850.4 Ų50.417%0.16727%0.273CS..Hα-helixtrans-61.7-40.9171.3-91-104.8000112I318 L331 S332 Y333 V338 F339 L352 L355I318-F335 HydrophobicContact CB-CD2 3.95Å; I318-F335 HydrophobicContact CB-CE2 3.64Å; I318-F335 HydrophobicContact CB-CZ 4.07Å; I318-F335 HydrophobicContact CG1-CE2 4.28Å; I318-F335 HydrophobicContact CG1-CZ 4.28Å; I318-F335 HydrophobicContact CG2-CD2 3.84Å; I318-F335 HydrophobicContact CG2-CE2 4.03Å; L331-F335 HydrophobicContact CD1-CD2 4.42Å; L331-F335 HydrophobicContact CD1-CE2 4.39Å; L331-F335 HydrophobicContact CD2-CD2 4.3Å; L331-F335 HydrophobicContact CD2-CE2 3.74Å; L331-F335 HydrophobicContact CG-CD2 3.82Å; L331-F335 HydrophobicContact CG-CE2 3.77Å; L331-F335 PolarHBondContact O-N 3.34Å; L331-F335 VanDerWaalsContact O-N 3.15Å; S332-F335 PolarHBondContact O-N 3.39Å; Y333-F335 VanDerWaalsContact C-N 3.35Å; Y333-F335 PolarHBondContact O-N 3.34Å; F335-V338 PolarHBondContact O-N 3.01Å; F335-F339 VanDerWaalsContact O-CB 3.23Å; F335-F339 WeakPolarHBondContact O-CB 3.41Å; F335-F339 PolarHBondContact O-N 3.24Å; F335-L352 HydrophobicContact CD1-CD2 4.09Å; F335-L355 HydrophobicContact CE1-CB 3.81Å; F335-L355 HydrophobicContact CZ-CB 4.4Å
336Y97.9Very high96Very high128 Ų12859 Ų5950%0.50231%0.31SS..Hα-helixtrans-63.3-47.2176.7177.5-94.6000111.4S332 Y333 D334 V338 F339 M340S332-Y336 WeakPolarHBondContact O-CB 3.33Å; S332-Y336 PolarHBondContact O-N 3.32Å; Y333-Y336 WeakPolarHBondContact O-CB 3.46Å; Y333-Y336 PolarHBondContact O-N 3.14Å; Y333-Y336 VanDerWaalsContact O-N 3.16Å; D334-Y336 VanDerWaalsContact C-N 3.32Å; D334-Y336 PolarHBondContact O-N 2.95Å; Y336-V338 VanDerWaalsContact C-N 3.34Å; Y336-V338 PolarHBondContact O-N 3.49Å; Y336-F339 PolarHBondContact O-N 3.29Å; Y336-F339 VanDerWaalsContact O-N 3.16Å; Y336-M340 HydrophobicContact CD1-CG 4.33Å; Y336-M340 HydrophobicContact CD2-CG 3.89Å; Y336-M340 HydrophobicContact CE1-CB 4.41Å; Y336-M340 HydrophobicContact CE1-CG 3.98Å; Y336-M340 HydrophobicContact CE2-CG 3.51Å; Y336-M340 HydrophobicContact CE2-SD 4.35Å; Y336-M340 HydrophobicContact CG-CG 4.29Å; Y336-M340 WeakPolarHBondContact O-CB 3.38Å; Y336-M340 WeakPolarHBondContact O-CG 3.48Å; Y336-M340 PolarHBondContact O-N 3.26Å
337E97.8Very high95.9Very high56 Ų5659.1 Ų59.126%0.26231%0.314SS..Hα-helixtrans-62.6-40.5177.9-73.2-48.514600112.2P289 I290 L301 Y333 D334 G341 I342P289-E337 HydrophobicContact CB-CB 3.99Å; P289-E337 HydrophobicContact CG-CB 3.96Å; I290-E337 HydrophobicContact CG1-CG 3.97Å; L301-E337 HydrophobicContact CD1-CB 3.85Å; L301-E337 HydrophobicContact CD1-CG 4Å; L301-E337 WeakPolarHBondContact CD1-OE2 3.41Å; Y333-E337 WeakPolarHBondContact O-CG 3.49Å; Y333-E337 PolarHBondContact O-N 2.74Å; D334-E337 PolarHBondContact O-N 2.56Å; E337-G341 VanDerWaalsContact O-CA 3.27Å; E337-G341 WeakPolarHBondContact O-CA 3.44Å; E337-G341 PolarHBondContact O-N 3.06Å; E337-I342 PolarHBondContact O-N 3.25Å
338V98.1Very high96Very high0 Ų058.9 Ų58.90%030%0.301CS..Iπ-helixtrans-63.4-45.6172.51680000111.1V287 P289 M310 I318 D334 F335 Y336 I342 G343 L355V287-V338 HydrophobicContact CG1-CG2 4.46Å; P289-V338 HydrophobicContact CB-CG2 4.26Å; P289-V338 HydrophobicContact CG-CG2 3.81Å; M310-V338 HydrophobicContact CE-CG1 3.53Å; I318-V338 HydrophobicContact CD1-CB 4.27Å; I318-V338 HydrophobicContact CD1-CG1 3.97Å; I318-V338 HydrophobicContact CD1-CG2 3.61Å; I318-V338 HydrophobicContact CG1-CG1 4.46Å; I318-V338 HydrophobicContact CG1-CG2 4.17Å; I318-V338 HydrophobicContact CG2-CG2 4.09Å; D334-V338 WeakPolarHBondContact O-CB 3.48Å; D334-V338 VanDerWaalsContact O-CG2 3.28Å; D334-V338 WeakPolarHBondContact O-CG2 3.39Å; D334-V338 PolarHBondContact O-N 3.47Å; F335-V338 PolarHBondContact O-N 3.01Å; Y336-V338 VanDerWaalsContact C-N 3.34Å; Y336-V338 PolarHBondContact O-N 3.49Å; V338-I342 HydrophobicContact CB-CD1 4.5Å; V338-I342 HydrophobicContact CG2-CD1 3.91Å; V338-I342 CarbonylContact O-C 3.54Å; V338-I342 WeakPolarHBondContact O-CA 3.49Å; V338-I342 WeakPolarHBondContact O-CB 3.35Å; V338-I342 PolarHBondContact O-N 3.39Å; V338-I342 VanDerWaalsContact O-N 3.1Å; V338-G343 PolarHBondContact O-N 2.77Å; V338-L355 HydrophobicContact CG1-CD1 3.74Å
339F97.8Very high96Very high53 Ų5361.4 Ų61.423%0.23231%0.311CS..Iπ-helixtrans-65.9-47.4-177.3-176.9-102.3000112.4F335 Y336 A347 D348 L352F335-F339 VanDerWaalsContact O-CB 3.23Å; F335-F339 WeakPolarHBondContact O-CB 3.41Å; F335-F339 PolarHBondContact O-N 3.24Å; Y336-F339 PolarHBondContact O-N 3.29Å; Y336-F339 VanDerWaalsContact O-N 3.16Å; F339-A347 HydrophobicContact CD2-CB 3.96Å; F339-A347 HydrophobicContact CE2-CB 3.83Å; F339-A347 HydrophobicContact CZ-CB 4.5Å; F339-D348 WeakPolarHBondContact CE2-O 3.33Å; F339-L352 HydrophobicContact CB-CD2 4.01Å; F339-L352 HydrophobicContact CD2-CD1 4.05Å; F339-L352 HydrophobicContact CD2-CD2 3.79Å; F339-L352 HydrophobicContact CD2-CG 3.69Å; F339-L352 HydrophobicContact CE2-CD1 4.16Å; F339-L352 HydrophobicContact CE2-CG 4.07Å; F339-L352 HydrophobicContact CG-CD2 4.11Å; F339-L352 HydrophobicContact CG-CG 4.39Å
340M96.1Very high96.1Very high108 Ų10866.3 Ų66.353%0.53233%0.327SS..Iπ-helixtrans-85.1-39.9-174.1-65.9-58.7-64.400113.1Y336Y336-M340 HydrophobicContact CD1-CG 4.33Å; Y336-M340 HydrophobicContact CD2-CG 3.89Å; Y336-M340 HydrophobicContact CE1-CB 4.41Å; Y336-M340 HydrophobicContact CE1-CG 3.98Å; Y336-M340 HydrophobicContact CE2-CG 3.51Å; Y336-M340 HydrophobicContact CE2-SD 4.35Å; Y336-M340 HydrophobicContact CG-CG 4.29Å; Y336-M340 WeakPolarHBondContact O-CB 3.38Å; Y336-M340 WeakPolarHBondContact O-CG 3.48Å; Y336-M340 PolarHBondContact O-N 3.26Å
341G96Very high96.1Very high12 Ų1267.9 Ų67.912%0.12434%0.336CS..Iπ-helixtrans-87-53.9-177.700000112.5R302 E337R302-G341 VanDerWaalsContact CA-O 3.3Å; R302-G341 WeakPolarHBondContact CA-O 3.15Å; E337-G341 VanDerWaalsContact O-CA 3.27Å; E337-G341 WeakPolarHBondContact O-CA 3.44Å; E337-G341 PolarHBondContact O-N 3.06Å
342I97.2Very high96.1Very high9 Ų968.6 Ų68.65%0.04634%0.34CS..Iπ-helixtrans-91.4-41.1-166.3-55.1178.7000112.7V287 P289 L301 H304 V306 A307 M310 E337 V338 G344V287-I342 HydrophobicContact CG1-CD1 4.46Å; P289-I342 HydrophobicContact CB-CD1 4.19Å; L301-I342 HydrophobicContact CB-CG1 4.48Å; H304-I342 HydrophobicContact CB-CD1 4.06Å; H304-I342 HydrophobicContact CB-CG1 3.97Å; H304-I342 VanDerWaalsContact CD2-CD1 3.49Å; H304-I342 WeakPolarHBondContact CD2-CD1 3.22Å; V306-I342 HydrophobicContact CG2-CD1 4.1Å; V306-I342 HydrophobicContact CG2-CG2 4.43Å; A307-I342 HydrophobicContact CB-CG2 3.95Å; M310-I342 HydrophobicContact CE-CG2 4.41Å; E337-I342 PolarHBondContact O-N 3.25Å; V338-I342 HydrophobicContact CB-CD1 4.5Å; V338-I342 HydrophobicContact CG2-CD1 3.91Å; V338-I342 CarbonylContact O-C 3.54Å; V338-I342 WeakPolarHBondContact O-CA 3.49Å; V338-I342 WeakPolarHBondContact O-CB 3.35Å; V338-I342 PolarHBondContact O-N 3.39Å; V338-I342 VanDerWaalsContact O-N 3.1Å; I342-G344 PolarHBondContact O-N 3.25Å
343G94.6Very high96.1Very high23 Ų2369.2 Ų69.224%0.23734%0.335CS..SBendtrans-68.4-18-169.800000114.6V338V338-G343 PolarHBondContact O-N 2.77Å
344G91.3Very high96.1Very high42 Ų4267.5 Ų67.543%0.43333%0.332SS..  trans69.3-177.6178.900000113.9I342 K346 A347I342-G344 PolarHBondContact O-N 3.25Å; G344-K346 PolarHBondContact O-N 3.46Å; G344-A347 WeakPolarHBondContact O-CB 3.35Å; G344-A347 PolarHBondContact O-N 3.3Å
345M91.4Very high96.1Very high191 Ų19167.9 Ų67.994%0.94133%0.334SS*.THydrogen-bonded Turntrans-60.8-19.3-170.6-177172.35400115.3
346K91.4Very high96Very high185 Ų18566.9 Ų66.980%0.80433%0.333SS*.THydrogen-bonded Turntrans-96.3-1.1179.6-65.2-173-179.4179.80113.4G344 D348G344-K346 PolarHBondContact O-N 3.46Å; K346-D348 PolarHBondContact O-N 3.23Å
347A95.4Very high96.1Very high17 Ų1763.3 Ų63.314%0.1432%0.321CS..  trans-63.8133.1174.700000110.2F339 G344 T351F339-A347 HydrophobicContact CD2-CB 3.96Å; F339-A347 HydrophobicContact CE2-CB 3.83Å; F339-A347 HydrophobicContact CZ-CB 4.5Å; G344-A347 WeakPolarHBondContact O-CB 3.35Å; G344-A347 PolarHBondContact O-N 3.3Å; A347-T351 HydrophobicContact CB-CG2 4.49Å
348D95.6Very high96.1Very high47 Ų4761.4 Ų61.425%0.25131%0.313SS..  trans-145.3-169.417864.429.3000111.1F339 K346 R350 T351 L352F339-D348 WeakPolarHBondContact CE2-O 3.33Å; K346-D348 PolarHBondContact O-N 3.23Å; D348-R350 PolarHBondContact O-N 3.26Å; D348-R350 WeakPolarHBondContact OD1-CA 3.32Å; D348-R350 WeakPolarHBondContact OD1-CB 3.48Å; D348-R350 WeakPolarHBondContact OD1-CG 3.36Å; D348-R350 PolarHBondContact OD1-N 3.48Å; D348-R350 IonicContact OD1-NE 3.14Å; D348-R350 PolarHBondContact OD1-NE 2.96Å; D348-R350 VanDerWaalsContact OD1-NE 3.14Å; D348-R350 IonicContact OD2-CZ 3.12Å; D348-R350 IonicContact OD2-NE 2.87Å; D348-R350 PolarHBondContact OD2-NE 3.03Å; D348-R350 IonicContact OD2-NH2 3.25Å; D348-R350 PolarHBondContact OD2-NH2 3.23Å; D348-T351 PolarHBondContact N-OG1 3.45Å; D348-T351 VanDerWaalsContact O-CB 3.3Å; D348-T351 WeakPolarHBondContact O-CB 3.35Å; D348-T351 PolarHBondContact O-N 3.12Å; D348-L352 PolarHBondContact O-N 2.86Å
349L95.6Very high96.1Very high72 Ų7263.9 Ų63.938%0.37733%0.33SS..Hα-helixtrans-55.9-26.4179.8-66.3-179.4000113.3L352 K353 W381 F384 I385L349-L352 HydrophobicContact CD2-CD1 4.27Å; L349-L352 PolarHBondContact O-N 2.91Å; L349-K353 VanDerWaalsContact O-CB 3.27Å; L349-K353 WeakPolarHBondContact O-CB 3.21Å; L349-K353 PolarHBondContact O-N 3.13Å; L349-W381 WeakPolarHBondContact O-CH2 3.49Å; L349-F384 HydrophobicContact CD2-CE1 4.27Å; L349-F384 HydrophobicContact CD2-CZ 4.48Å; L349-I385 HydrophobicContact CD1-CD1 3.97Å
350R95.5Very high96.1Very high185 Ų18561.5 Ų61.570%0.69832%0.32SS*.Hα-helixtrans-69.9-35.2176.7-54.9171.9-74.4-174.5-3.1111.1D348 K353 Q354D348-R350 PolarHBondContact O-N 3.26Å; D348-R350 WeakPolarHBondContact OD1-CA 3.32Å; D348-R350 WeakPolarHBondContact OD1-CB 3.48Å; D348-R350 WeakPolarHBondContact OD1-CG 3.36Å; D348-R350 PolarHBondContact OD1-N 3.48Å; D348-R350 IonicContact OD1-NE 3.14Å; D348-R350 PolarHBondContact OD1-NE 2.96Å; D348-R350 VanDerWaalsContact OD1-NE 3.14Å; D348-R350 IonicContact OD2-CZ 3.12Å; D348-R350 IonicContact OD2-NE 2.87Å; D348-R350 PolarHBondContact OD2-NE 3.03Å; D348-R350 IonicContact OD2-NH2 3.25Å; D348-R350 PolarHBondContact OD2-NH2 3.23Å; R350-K353 WeakPolarHBondContact O-CB 3.35Å; R350-K353 PolarHBondContact O-N 2.74Å; R350-Q354 WeakPolarHBondContact O-CB 3.25Å; R350-Q354 PolarHBondContact O-N 3.07Å
351T96.6Very high96.2Very high36 Ų3661.1 Ų61.122%0.22132%0.315CS..Hα-helixtrans-62-51.2173.1-560000110.4M310 A347 D348 K353 Q354 L355M310-T351 HydrophobicContact SD-CG2 4.47Å; A347-T351 HydrophobicContact CB-CG2 4.49Å; D348-T351 PolarHBondContact N-OG1 3.45Å; D348-T351 VanDerWaalsContact O-CB 3.3Å; D348-T351 WeakPolarHBondContact O-CB 3.35Å; D348-T351 PolarHBondContact O-N 3.12Å; T351-K353 VanDerWaalsContact C-N 3.32Å; T351-K353 PolarHBondContact O-N 2.73Å; T351-Q354 PolarHBondContact O-N 3.39Å; T351-L355 HydrophobicContact CG2-CD1 4.15Å; T351-L355 WeakPolarHBondContact O-CG 3.48Å; T351-L355 PolarHBondContact O-N 2.85Å
352L97Very high96.4Very high43 Ų4361.8 Ų61.823%0.22531%0.314CS..Hα-helixtrans-59.8-43.4177.2-66.4175000111.6F335 F339 D348 L349 Q354 L355 A356F335-L352 HydrophobicContact CD1-CD2 4.09Å; F339-L352 HydrophobicContact CB-CD2 4.01Å; F339-L352 HydrophobicContact CD2-CD1 4.05Å; F339-L352 HydrophobicContact CD2-CD2 3.79Å; F339-L352 HydrophobicContact CD2-CG 3.69Å; F339-L352 HydrophobicContact CE2-CD1 4.16Å; F339-L352 HydrophobicContact CE2-CG 4.07Å; F339-L352 HydrophobicContact CG-CD2 4.11Å; F339-L352 HydrophobicContact CG-CG 4.39Å; D348-L352 PolarHBondContact O-N 2.86Å; L349-L352 HydrophobicContact CD2-CD1 4.27Å; L349-L352 PolarHBondContact O-N 2.91Å; L352-Q354 PolarHBondContact O-N 2.98Å; L352-L355 PolarHBondContact O-N 2.89Å; L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 2.99Å
353K97.6Very high96.4Very high70 Ų7061.8 Ų61.830%0.30432%0.315SS..Hα-helixtrans-55.7-49.8175.5-164.9178.3-175.1165.50111.4L349 R350 T351 A356 M357 W377 W381L349-K353 VanDerWaalsContact O-CB 3.27Å; L349-K353 WeakPolarHBondContact O-CB 3.21Å; L349-K353 PolarHBondContact O-N 3.13Å; R350-K353 WeakPolarHBondContact O-CB 3.35Å; R350-K353 PolarHBondContact O-N 2.74Å; T351-K353 VanDerWaalsContact C-N 3.32Å; T351-K353 PolarHBondContact O-N 2.73Å; K353-A356 PolarHBondContact O-N 2.85Å; K353-M357 HydrophobicContact CG-SD 4.1Å; K353-M357 VanDerWaalsContact O-CG 3.28Å; K353-M357 WeakPolarHBondContact O-CG 3.44Å; K353-M357 PolarHBondContact O-N 3.37Å; K353-W377 HydrophobicContact CD-CH2 4.34Å; K353-W377 HydrophobicContact CG-CH2 3.53Å; K353-W377 HydrophobicContact CG-CZ2 4.13Å; K353-W381 HydrophobicContact CB-CH2 3.65Å; K353-W381 HydrophobicContact CB-CZ2 3.51Å; K353-W381 HydrophobicContact CB-CZ3 4.26Å; K353-W381 HydrophobicContact CD-CD2 4.34Å; K353-W381 HydrophobicContact CD-CZ2 3.86Å; K353-W381 HydrophobicContact CG-CD2 4.03Å; K353-W381 HydrophobicContact CG-CE3 4.44Å; K353-W381 HydrophobicContact CG-CH2 4.12Å; K353-W381 HydrophobicContact CG-CZ2 3.68Å; K353-W381 HydrophobicContact CG-CZ3 4.48Å
354Q97.9Very high96.6Very high102 Ų10262.1 Ų62.148%0.47731%0.312SS..Hα-helixtrans-64.3-44-178.1-174.162.362.700111.8R350 T351 L352 A356 M357 N358R350-Q354 WeakPolarHBondContact O-CB 3.25Å; R350-Q354 PolarHBondContact O-N 3.07Å; T351-Q354 PolarHBondContact O-N 3.39Å; L352-Q354 PolarHBondContact O-N 2.98Å; Q354-A356 VanDerWaalsContact C-N 3.35Å; Q354-A356 PolarHBondContact O-N 2.88Å; Q354-M357 PolarHBondContact O-N 3.49Å; Q354-N358 PolarHBondContact NE2-OD1 2.83Å; Q354-N358 WeakPolarHBondContact O-CB 3.46Å; Q354-N358 PolarHBondContact O-N 2.99Å; Q354-N358 PolarHBondContact O-OD1 3.44Å
355L98.1Very high96.9Very high8 Ų860.7 Ų60.74%0.04230%0.295CS..Hα-helixtrans-63.8-40178.8-68173000111.9M310 M316 I318 F335 V338 T351 L352 N358 S359M310-L355 HydrophobicContact CE-CD1 4.31Å; M310-L355 HydrophobicContact CE-CD2 4.3Å; M316-L355 HydrophobicContact CG-CD2 3.89Å; M316-L355 HydrophobicContact SD-CD2 4.2Å; I318-L355 HydrophobicContact CD1-CD1 4.28Å; I318-L355 HydrophobicContact CD1-CD2 4.04Å; I318-L355 HydrophobicContact CG1-CB 4.31Å; I318-L355 HydrophobicContact CG1-CD1 4.02Å; I318-L355 HydrophobicContact CG1-CD2 4.16Å; I318-L355 HydrophobicContact CG1-CG 4.39Å; F335-L355 HydrophobicContact CE1-CB 3.81Å; F335-L355 HydrophobicContact CZ-CB 4.4Å; V338-L355 HydrophobicContact CG1-CD1 3.74Å; T351-L355 HydrophobicContact CG2-CD1 4.15Å; T351-L355 WeakPolarHBondContact O-CG 3.48Å; T351-L355 PolarHBondContact O-N 2.85Å; L352-L355 PolarHBondContact O-N 2.89Å; L355-N358 WeakPolarHBondContact O-CB 3.34Å; L355-N358 PolarHBondContact O-N 3.23Å; L355-S359 PolarHBondContact O-N 3.39Å
356A98.1Very high97.1Very high17 Ų1756.3 Ų56.314%0.1428%0.275CS..Hα-helixtrans-67.6-39.317400000112.5L352 K353 Q354 N358 S359 W377L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 2.99Å; K353-A356 PolarHBondContact O-N 2.85Å; Q354-A356 VanDerWaalsContact C-N 3.35Å; Q354-A356 PolarHBondContact O-N 2.88Å; A356-N358 VanDerWaalsContact C-N 3.31Å; A356-N358 PolarHBondContact O-N 2.94Å; A356-S359 PolarHBondContact O-N 3.36Å; A356-S359 PolarHBondContact O-OG 3.32Å; A356-W377 HydrophobicContact CB-CZ2 3.83Å
357M98.4Very high97.3Very high53 Ų5353.5 Ų53.526%0.26127%0.265SS..Hα-helixtrans-66.4-35.4174.3-71.7175.962.600112.2K353 Q354 S359 I360 K361 M374 W377K353-M357 HydrophobicContact CG-SD 4.1Å; K353-M357 VanDerWaalsContact O-CG 3.28Å; K353-M357 WeakPolarHBondContact O-CG 3.44Å; K353-M357 PolarHBondContact O-N 3.37Å; Q354-M357 PolarHBondContact O-N 3.49Å; M357-S359 VanDerWaalsContact C-N 3.32Å; M357-S359 PolarHBondContact O-N 3.01Å; M357-I360 PolarHBondContact O-N 3.29Å; M357-K361 PolarHBondContact O-N 3.22Å; M357-M374 HydrophobicContact CB-CE 4.24Å; M357-M374 HydrophobicContact CE-CE 4.48Å; M357-M374 HydrophobicContact CE-SD 4.42Å; M357-M374 HydrophobicContact CG-CE 4.22Å; M357-M374 HydrophobicContact CG-SD 4.32Å; M357-W377 HydrophobicContact CG-CE3 4.15Å; M357-W377 HydrophobicContact CG-CH2 3.21Å; M357-W377 HydrophobicContact CG-CZ2 3.86Å; M357-W377 HydrophobicContact CG-CZ3 3.39Å; M357-W377 HydrophobicContact SD-CH2 3.72Å; M357-W377 HydrophobicContact SD-CZ3 3.81Å
358N98.6Very high97.3Very high16 Ų1656.4 Ų56.49%0.08628%0.284CS..Hα-helixtrans-62.1-39.5177-75.6-1.3000111.5M316 V317 Q354 L355 A356 I360 K361 Y362M316-N358 WeakPolarHBondContact O-CB 3.32Å; M316-N358 PolarHBondContact O-ND2 3.04Å; V317-N358 HydrophobicContact CG1-CB 4.27Å; Q354-N358 PolarHBondContact NE2-OD1 2.83Å; Q354-N358 WeakPolarHBondContact O-CB 3.46Å; Q354-N358 PolarHBondContact O-N 2.99Å; Q354-N358 PolarHBondContact O-OD1 3.44Å; L355-N358 WeakPolarHBondContact O-CB 3.34Å; L355-N358 PolarHBondContact O-N 3.23Å; A356-N358 VanDerWaalsContact C-N 3.31Å; A356-N358 PolarHBondContact O-N 2.94Å; N358-I360 PolarHBondContact O-N 2.98Å; N358-K361 PolarHBondContact O-N 3.17Å; N358-Y362 HydrophobicContact CB-CD2 3.91Å; N358-Y362 HydrophobicContact CB-CE2 4.04Å; N358-Y362 WeakPolarHBondContact O-CB 3.43Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å; N358-Y362 PolarHBondContact O-N 2.78Å
359S98.1Very high97.3Very high52 Ų5257.3 Ų57.336%0.36429%0.287SS..Hα-helixtrans-60.3-36.8178.972.50000112L355 A356 M357 S363L355-S359 PolarHBondContact O-N 3.39Å; A356-S359 PolarHBondContact O-N 3.36Å; A356-S359 PolarHBondContact O-OG 3.32Å; M357-S359 VanDerWaalsContact C-N 3.32Å; M357-S359 PolarHBondContact O-N 3.01Å; S359-S363 WeakPolarHBondContact O-CB 3.41Å; S359-S363 PolarHBondContact O-N 2.81Å
360I98.5Very high97.4Very high3 Ų355.5 Ų55.52%0.01528%0.276CS..Hα-helixtrans-71.5-50.4173.9-54.3177.2000110.5M357 N358 Y362 S363 K370 F373 M374 W377M357-I360 PolarHBondContact O-N 3.29Å; N358-I360 PolarHBondContact O-N 2.98Å; I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 PolarHBondContact O-N 2.82Å; I360-S363 WeakPolarHBondContact O-CB 3.5Å; I360-S363 PolarHBondContact O-N 3.16Å; I360-S363 PolarHBondContact O-OG 3.46Å; I360-K370 HydrophobicContact CG2-CB 4.31Å; I360-K370 WeakPolarHBondContact O-CE 3.37Å; I360-F373 HydrophobicContact CB-CD1 4.46Å; I360-F373 HydrophobicContact CD1-CD1 4.17Å; I360-F373 HydrophobicContact CD1-CD2 4.34Å; I360-F373 HydrophobicContact CD1-CE1 4.25Å; I360-F373 HydrophobicContact CD1-CE2 4.38Å; I360-F373 HydrophobicContact CD1-CG 4.2Å; I360-F373 HydrophobicContact CD1-CZ 4.34Å; I360-F373 HydrophobicContact CG1-CD1 3.88Å; I360-F373 HydrophobicContact CG1-CE1 3.81Å; I360-F373 HydrophobicContact CG1-CG 4.41Å; I360-F373 HydrophobicContact CG1-CZ 4.27Å; I360-F373 HydrophobicContact CG2-CB 4.37Å; I360-F373 HydrophobicContact CG2-CD1 3.99Å; I360-F373 HydrophobicContact CG2-CG 4.37Å; I360-M374 HydrophobicContact CB-CE 3.91Å; I360-M374 HydrophobicContact CD1-CE 3.9Å; I360-M374 HydrophobicContact CD1-SD 4.39Å; I360-M374 HydrophobicContact CG1-CE 4.44Å; I360-M374 HydrophobicContact CG2-CE 4.03Å; I360-W377 HydrophobicContact CD1-CB 3.66Å; I360-W377 HydrophobicContact CD1-CD2 4.31Å; I360-W377 HydrophobicContact CD1-CG 3.74Å
361K98.4Very high97.5Very high100 Ų10050.9 Ų50.944%0.43527%0.265SS..Hα-helixtrans-55.1-46.2-178-179.1-174.3171.2-162.40111.9D282 M357 N358 K370D282-K361 IonicContact OD1-NZ 2.75Å; D282-K361 PolarHBondContact OD1-NZ 3.12Å; D282-K361 WeakPolarHBondContact OD2-CE 3.32Å; D282-K361 IonicContact OD2-NZ 2.7Å; D282-K361 PolarHBondContact OD2-NZ 2.66Å; M357-K361 PolarHBondContact O-N 3.22Å; N358-K361 PolarHBondContact O-N 3.17Å; K361-K370 WeakPolarHBondContact O-CE 3.48Å; K361-K370 PolarHBondContact O-NZ 3.34Å
362Y98.6Very high97.4Very high27 Ų2753 Ų5311%0.10628%0.277CS..THydrogen-bonded Turntrans-95.74.6-174.1-62.9-66000114.2R261 D282 P284 P315 V317 N358 I360R261-Y362 WeakPolarHBondContact CD-O 3.43Å; R261-Y362 PolarHBondContact NH1-O 2.68Å; D282-Y362 WeakPolarHBondContact O-CE1 3.04Å; D282-Y362 PolarHBondContact OD1-OH 3.25Å; P284-Y362 HydrophobicContact CB-CD1 4.08Å; P284-Y362 HydrophobicContact CB-CD2 4.03Å; P284-Y362 HydrophobicContact CB-CE1 4.33Å; P284-Y362 HydrophobicContact CB-CE2 4.32Å; P284-Y362 HydrophobicContact CB-CG 3.93Å; P284-Y362 HydrophobicContact CG-CD1 3.58Å; P284-Y362 HydrophobicContact CG-CD2 4.21Å; P284-Y362 HydrophobicContact CG-CE1 4.21Å; P284-Y362 HydrophobicContact CG-CG 3.6Å; P315-Y362 HydrophobicContact CB-CE1 4.24Å; P315-Y362 HydrophobicContact CB-CE2 4.14Å; P315-Y362 WeakPolarHBondContact CB-OH 3.27Å; V317-Y362 HydrophobicContact CG1-CD2 4Å; V317-Y362 HydrophobicContact CG1-CG 4.41Å; N358-Y362 HydrophobicContact CB-CD2 3.91Å; N358-Y362 HydrophobicContact CB-CE2 4.04Å; N358-Y362 WeakPolarHBondContact O-CB 3.43Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å; N358-Y362 PolarHBondContact O-N 2.78Å; I360-Y362 VanDerWaalsContact C-N 3.31Å; I360-Y362 PolarHBondContact O-N 2.82Å
363S98.4Very high97.4Very high9 Ų951.6 Ų51.66%0.06327%0.27CS..SBendtrans-63.1164.8168.667.60000111.6S359 I360 L365 K370S359-S363 WeakPolarHBondContact O-CB 3.41Å; S359-S363 PolarHBondContact O-N 2.81Å; I360-S363 WeakPolarHBondContact O-CB 3.5Å; I360-S363 PolarHBondContact O-N 3.16Å; I360-S363 PolarHBondContact O-OG 3.46Å; S363-L365 VanDerWaalsContact C-N 3.27Å; S363-L365 WeakPolarHBondContact OG-CB 3.34Å; S363-K370 WeakPolarHBondContact O-CE 3.09Å; S363-K370 PolarHBondContact O-NZ 3.09Å; S363-K370 VanDerWaalsContact OG-CE 3.29Å; S363-K370 WeakPolarHBondContact OG-CE 3.44Å
364T97.9Very high97.4Very high29 Ų2949.7 Ų49.718%0.17826%0.262CS..SBendtrans-90.88.9174.762.90000112.3Y122 E124 K167 A200 F234Y122-T364 PolarHBondContact OH-OG1 3.34Å; E124-T364 WeakPolarHBondContact OE1-CB 3.31Å; E124-T364 WeakPolarHBondContact OE1-CG2 3.32Å; E124-T364 PolarHBondContact OE1-N 3.03Å; E124-T364 PolarHBondContact OE1-OG1 3.25Å; E124-T364 WeakPolarHBondContact OE2-CG2 3.37Å; K167-T364 WeakPolarHBondContact CD-OG1 3.44Å; K167-T364 PolarHBondContact NZ-O 3.2Å; A200-T364 HydrophobicContact CB-CG2 4.04Å; F234-T364 HydrophobicContact CE1-CG2 3.53Å; F234-T364 HydrophobicContact CZ-CG2 3.36Å
365L97.5Very high97.3Very high12 Ų1250.4 Ų50.46%0.06327%0.266CS..SBendtrans-56.2148.2166.5-69.7176000110.3Y122 I164 S363 E369 K370 F373Y122-L365 HydrophobicContact CD1-CD1 4.27Å; Y122-L365 HydrophobicContact CD1-CG 4.46Å; Y122-L365 HydrophobicContact CD2-CD1 4.33Å; Y122-L365 HydrophobicContact CD2-CD2 4Å; Y122-L365 HydrophobicContact CD2-CG 4.33Å; Y122-L365 HydrophobicContact CE1-CD1 4.33Å; Y122-L365 HydrophobicContact CE1-CG 4.04Å; Y122-L365 HydrophobicContact CE2-CD1 4.39Å; Y122-L365 HydrophobicContact CE2-CD2 3.49Å; Y122-L365 VanDerWaalsContact CE2-CD2 3.49Å; Y122-L365 HydrophobicContact CE2-CG 3.9Å; Y122-L365 HydrophobicContact CG-CD1 4.26Å; I164-L365 HydrophobicContact CG2-CD1 4.17Å; I164-L365 HydrophobicContact CG2-CD2 4.13Å; S363-L365 VanDerWaalsContact C-N 3.27Å; S363-L365 WeakPolarHBondContact OG-CB 3.34Å; L365-E369 WeakPolarHBondContact CA-OE2 3.26Å; L365-E369 HydrophobicContact CB-CB 3.94Å; L365-E369 HydrophobicContact CD2-CB 4.08Å; L365-E369 HydrophobicContact CG-CB 4.41Å; L365-K370 HydrophobicContact CB-CG 3.69Å; L365-K370 WeakPolarHBondContact O-CE 3.45Å; L365-F373 HydrophobicContact CD1-CD1 3.75Å
366L95.6Very high97.1Very high100 Ų10052.2 Ų52.252%0.52428%0.275SS..  trans-63.8155.6169.3-60.3176.3000109.5S368 E369 K370L366-S368 PolarHBondContact O-N 2.79Å; L366-E369 HydrophobicContact CB-CB 4.42Å; L366-E369 HydrophobicContact CB-CG 4.06Å; L366-E369 WeakPolarHBondContact CB-OE2 3.44Å; L366-E369 WeakPolarHBondContact CG-OE2 3.43Å; L366-E369 PolarHBondContact N-OE2 2.85Å; L366-E369 WeakPolarHBondContact O-CA 3.32Å; L366-E369 WeakPolarHBondContact O-CB 3.42Å; L366-E369 PolarHBondContact O-N 2.68Å; L366-K370 WeakPolarHBondContact O-CG 3.27Å; L366-K370 PolarHBondContact O-N 2.61Å
367E95.8Very high97.1Very high126 Ų12652.9 Ų52.959%0.58927%0.274SS*.Hα-helixtrans-59-37-177.2-163.960.1-156.200112.5K370 N371E367-K370 PolarHBondContact O-N 3.25Å; E367-N371 WeakPolarHBondContact O-CB 3.48Å; E367-N371 VanDerWaalsContact O-CG 3.24Å; E367-N371 PolarHBondContact O-N 3.15Å; E367-N371 PolarHBondContact O-ND2 3.37Å; E367-N371 VanDerWaalsContact O-ND2 3.08Å
368S95.3Very high97Very high77 Ų7755.4 Ų55.454%0.53828%0.283SS..Hα-helixtrans-63-42.7172.950.60000112.6L366 N371 T372L366-S368 PolarHBondContact O-N 2.79Å; S368-N371 PolarHBondContact O-N 3.42Å; S368-T372 PolarHBondContact O-N 2.86Å; S368-T372 VanDerWaalsContact O-N 3.08Å; S368-T372 PolarHBondContact O-OG1 3.16Å; S368-T372 VanDerWaalsContact O-OG1 3.1Å
369E95.6Very high96.9Very high67 Ų6761.8 Ų61.831%0.31331%0.31SS..Hα-helixtrans-65.6-41.3177.1-63.6172.1149.300110.9K167 L365 L366 T372 F373K167-E369 IonicContact NZ-OE2 3.18Å; L365-E369 WeakPolarHBondContact CA-OE2 3.26Å; L365-E369 HydrophobicContact CB-CB 3.94Å; L365-E369 HydrophobicContact CD2-CB 4.08Å; L365-E369 HydrophobicContact CG-CB 4.41Å; L366-E369 HydrophobicContact CB-CB 4.42Å; L366-E369 HydrophobicContact CB-CG 4.06Å; L366-E369 WeakPolarHBondContact CB-OE2 3.44Å; L366-E369 WeakPolarHBondContact CG-OE2 3.43Å; L366-E369 PolarHBondContact N-OE2 2.85Å; L366-E369 WeakPolarHBondContact O-CA 3.32Å; L366-E369 WeakPolarHBondContact O-CB 3.42Å; L366-E369 PolarHBondContact O-N 2.68Å; E369-T372 PolarHBondContact O-N 3.15Å; E369-F373 VanDerWaalsContact O-CB 3.29Å; E369-F373 WeakPolarHBondContact O-CB 3.5Å; E369-F373 PolarHBondContact O-N 2.87Å
370K98.1Very high96.8Very high34 Ų3462.9 Ų62.915%0.14831%0.306CS..Hα-helixtrans-61.2-43.6174.6-70.6-179.1178.7175.20112.1I360 K361 S363 L365 L366 E367 F373 M374I360-K370 HydrophobicContact CG2-CB 4.31Å; I360-K370 WeakPolarHBondContact O-CE 3.37Å; K361-K370 WeakPolarHBondContact O-CE 3.48Å; K361-K370 PolarHBondContact O-NZ 3.34Å; S363-K370 WeakPolarHBondContact O-CE 3.09Å; S363-K370 PolarHBondContact O-NZ 3.09Å; S363-K370 VanDerWaalsContact OG-CE 3.29Å; S363-K370 WeakPolarHBondContact OG-CE 3.44Å; L365-K370 HydrophobicContact CB-CG 3.69Å; L365-K370 WeakPolarHBondContact O-CE 3.45Å; L366-K370 WeakPolarHBondContact O-CG 3.27Å; L366-K370 PolarHBondContact O-N 2.61Å; E367-K370 PolarHBondContact O-N 3.25Å; K370-F373 PolarHBondContact O-N 3.36Å; K370-M374 VanDerWaalsContact O-CB 3.22Å; K370-M374 WeakPolarHBondContact O-CB 3.37Å; K370-M374 PolarHBondContact O-N 3.2Å
371N96.6Very high96.7Very high88 Ų8864.2 Ų64.247%0.47131%0.311SS..Hα-helixtrans-62.6-49.2178.4-73.3-33.8000111.2E367 S368 F373 M374 E375E367-N371 WeakPolarHBondContact O-CB 3.48Å; E367-N371 VanDerWaalsContact O-CG 3.24Å; E367-N371 PolarHBondContact O-N 3.15Å; E367-N371 PolarHBondContact O-ND2 3.37Å; E367-N371 VanDerWaalsContact O-ND2 3.08Å; S368-N371 PolarHBondContact O-N 3.42Å; N371-F373 VanDerWaalsContact C-N 3.35Å; N371-F373 PolarHBondContact O-N 3.36Å; N371-M374 PolarHBondContact O-N 2.91Å; N371-E375 PolarHBondContact O-N 3.16Å
372T94.8Very high96.6Very high79 Ų7964.1 Ų64.149%0.48532%0.315SS..Hα-helixtrans-58.7-46175.2-58.50000111.6S368 E369 M374 E375 I376S368-T372 PolarHBondContact O-N 2.86Å; S368-T372 VanDerWaalsContact O-N 3.08Å; S368-T372 PolarHBondContact O-OG1 3.16Å; S368-T372 VanDerWaalsContact O-OG1 3.1Å; E369-T372 PolarHBondContact O-N 3.15Å; T372-M374 VanDerWaalsContact C-N 3.35Å; T372-M374 PolarHBondContact O-N 3.42Å; T372-E375 PolarHBondContact O-N 3.1Å; T372-I376 HydrophobicContact CG2-CD1 4.37Å; T372-I376 PolarHBondContact O-N 3.42Å
373F97.3Very high96.5Very high15 Ų1569.3 Ų69.37%0.06634%0.339CS..Hα-helixtrans-65-40.1179.6-173.1-166.3000111.7L121 Y122 I164 I360 L365 E369 K370 N371 E375 I376 W377L121-F373 HydrophobicContact CB-CE2 3.73Å; L121-F373 HydrophobicContact CB-CZ 3.8Å; L121-F373 HydrophobicContact CD1-CE2 4.02Å; L121-F373 HydrophobicContact CG-CE2 4.46Å; Y122-F373 HydrophobicContact CG-CE1 4.39Å; I164-F373 HydrophobicContact CD1-CB 4.18Å; I164-F373 HydrophobicContact CD1-CD2 3.76Å; I164-F373 HydrophobicContact CD1-CE2 4.35Å; I164-F373 HydrophobicContact CD1-CG 3.98Å; I164-F373 HydrophobicContact CG1-CB 4.34Å; I164-F373 HydrophobicContact CG1-CD1 3.98Å; I164-F373 HydrophobicContact CG1-CD2 3.6Å; I164-F373 HydrophobicContact CG1-CE1 4.15Å; I164-F373 HydrophobicContact CG1-CE2 3.81Å; I164-F373 HydrophobicContact CG1-CG 3.72Å; I164-F373 HydrophobicContact CG1-CZ 4.08Å; I360-F373 HydrophobicContact CB-CD1 4.46Å; I360-F373 HydrophobicContact CD1-CD1 4.17Å; I360-F373 HydrophobicContact CD1-CD2 4.34Å; I360-F373 HydrophobicContact CD1-CE1 4.25Å; I360-F373 HydrophobicContact CD1-CE2 4.38Å; I360-F373 HydrophobicContact CD1-CG 4.2Å; I360-F373 HydrophobicContact CD1-CZ 4.34Å; I360-F373 HydrophobicContact CG1-CD1 3.88Å; I360-F373 HydrophobicContact CG1-CE1 3.81Å; I360-F373 HydrophobicContact CG1-CG 4.41Å; I360-F373 HydrophobicContact CG1-CZ 4.27Å; I360-F373 HydrophobicContact CG2-CB 4.37Å; I360-F373 HydrophobicContact CG2-CD1 3.99Å; I360-F373 HydrophobicContact CG2-CG 4.37Å; L365-F373 HydrophobicContact CD1-CD1 3.75Å; E369-F373 VanDerWaalsContact O-CB 3.29Å; E369-F373 WeakPolarHBondContact O-CB 3.5Å; E369-F373 PolarHBondContact O-N 2.87Å; K370-F373 PolarHBondContact O-N 3.36Å; N371-F373 VanDerWaalsContact C-N 3.35Å; N371-F373 PolarHBondContact O-N 3.36Å; F373-E375 VanDerWaalsContact C-N 3.29Å; F373-E375 PolarHBondContact O-N 3.35Å; F373-I376 PolarHBondContact O-N 3.12Å; F373-W377 WeakPolarHBondContact O-CB 3.44Å; F373-W377 PolarHBondContact O-N 3.28Å
374M97.6Very high96.4Very high30 Ų3073.1 Ų73.115%0.14835%0.354CS..Hα-helixtrans-62.5-34.8176.2-176.359.564.800112.3M357 I360 K370 N371 T372 W377 K378M357-M374 HydrophobicContact CB-CE 4.24Å; M357-M374 HydrophobicContact CE-CE 4.48Å; M357-M374 HydrophobicContact CE-SD 4.42Å; M357-M374 HydrophobicContact CG-CE 4.22Å; M357-M374 HydrophobicContact CG-SD 4.32Å; I360-M374 HydrophobicContact CB-CE 3.91Å; I360-M374 HydrophobicContact CD1-CE 3.9Å; I360-M374 HydrophobicContact CD1-SD 4.39Å; I360-M374 HydrophobicContact CG1-CE 4.44Å; I360-M374 HydrophobicContact CG2-CE 4.03Å; K370-M374 VanDerWaalsContact O-CB 3.22Å; K370-M374 WeakPolarHBondContact O-CB 3.37Å; K370-M374 PolarHBondContact O-N 3.2Å; N371-M374 PolarHBondContact O-N 2.91Å; T372-M374 VanDerWaalsContact C-N 3.35Å; T372-M374 PolarHBondContact O-N 3.42Å; M374-W377 HydrophobicContact SD-CE3 3.67Å; M374-W377 HydrophobicContact SD-CZ3 4.08Å; M374-K378 HydrophobicContact CG-CD 4.26Å; M374-K378 WeakPolarHBondContact O-CB 3.43Å; M374-K378 WeakPolarHBondContact O-CG 3.49Å; M374-K378 PolarHBondContact O-N 2.87Å; M374-K378 HydrophobicContact SD-CG 4.33Å
375E95.6Very high96.3Very high117 Ų11774.5 Ų74.555%0.54736%0.36SS..Hα-helixtrans-66.2-45173.7-71.3179.4-174.500112.5N371 T372 F373 W377 K378 K379N371-E375 PolarHBondContact O-N 3.16Å; T372-E375 PolarHBondContact O-N 3.1Å; F373-E375 VanDerWaalsContact C-N 3.29Å; F373-E375 PolarHBondContact O-N 3.35Å; E375-W377 VanDerWaalsContact C-N 3.34Å; E375-K378 PolarHBondContact O-N 2.89Å; E375-K379 WeakPolarHBondContact O-CG 3.4Å; E375-K379 PolarHBondContact O-N 3.27Å
376I94.9Very high96.2Very high45 Ų4576.4 Ų76.423%0.23138%0.377CS..Hα-helixtrans-59.2-49.6174.7-65.9166.2000109.5L121 I164 T372 F373 K378 K379 R380L121-I376 HydrophobicContact CD1-CG2 4.35Å; I164-I376 HydrophobicContact CD1-CD1 3.95Å; T372-I376 HydrophobicContact CG2-CD1 4.37Å; T372-I376 PolarHBondContact O-N 3.42Å; F373-I376 PolarHBondContact O-N 3.12Å; I376-K378 PolarHBondContact O-N 3.03Å; I376-K379 PolarHBondContact O-N 3.14Å; I376-R380 PolarHBondContact O-N 2.95Å; I376-R380 VanDerWaalsContact O-N 3.14Å
377W96.8Very high96.2Very high32 Ų3275.4 Ų75.412%0.12137%0.373CS..Hα-helixtrans-61.9-42.8-179.2178.289.7000112.2K353 A356 M357 I360 F373 M374 E375 K379 R380 W381K353-W377 HydrophobicContact CD-CH2 4.34Å; K353-W377 HydrophobicContact CG-CH2 3.53Å; K353-W377 HydrophobicContact CG-CZ2 4.13Å; A356-W377 HydrophobicContact CB-CZ2 3.83Å; M357-W377 HydrophobicContact CG-CE3 4.15Å; M357-W377 HydrophobicContact CG-CH2 3.21Å; M357-W377 HydrophobicContact CG-CZ2 3.86Å; M357-W377 HydrophobicContact CG-CZ3 3.39Å; M357-W377 HydrophobicContact SD-CH2 3.72Å; M357-W377 HydrophobicContact SD-CZ3 3.81Å; I360-W377 HydrophobicContact CD1-CB 3.66Å; I360-W377 HydrophobicContact CD1-CD2 4.31Å; I360-W377 HydrophobicContact CD1-CG 3.74Å; F373-W377 WeakPolarHBondContact O-CB 3.44Å; F373-W377 PolarHBondContact O-N 3.28Å; M374-W377 HydrophobicContact SD-CE3 3.67Å; M374-W377 HydrophobicContact SD-CZ3 4.08Å; E375-W377 VanDerWaalsContact C-N 3.34Å; W377-K379 PolarHBondContact O-N 3.01Å; W377-R380 PolarHBondContact O-N 3.14Å; W377-W381 HydrophobicContact CH2-CB 4.23Å; W377-W381 HydrophobicContact CH2-CD2 4.13Å; W377-W381 HydrophobicContact CH2-CE3 4.32Å; W377-W381 HydrophobicContact CH2-CG 4.06Å; W377-W381 HydrophobicContact CZ2-CB 4.27Å; W377-W381 HydrophobicContact CZ2-CD2 4.04Å; W377-W381 AromaticContact CZ2-CE3 3.77Å; W377-W381 HydrophobicContact CZ2-CE3 3.77Å; W377-W381 HydrophobicContact CZ2-CG 4.25Å; W377-W381 HydrophobicContact CZ3-CB 4.36Å; W377-W381 WeakPolarHBondContact O-CB 3.01Å; W377-W381 PolarHBondContact O-N 3.19Å
378K96.8Very high96.1Very high105 Ų10572.4 Ų72.446%0.45736%0.362SS..Hα-helixtrans-58.9-45.1176.6-80.1170.8-178.7172.50111.9M374 E375 I376 R380 W381 D382M374-K378 HydrophobicContact CG-CD 4.26Å; M374-K378 WeakPolarHBondContact O-CB 3.43Å; M374-K378 WeakPolarHBondContact O-CG 3.49Å; M374-K378 PolarHBondContact O-N 2.87Å; M374-K378 HydrophobicContact SD-CG 4.33Å; E375-K378 PolarHBondContact O-N 2.89Å; I376-K378 PolarHBondContact O-N 3.03Å; K378-R380 VanDerWaalsContact C-N 3.33Å; K378-R380 PolarHBondContact O-N 2.85Å; K378-W381 PolarHBondContact O-N 3.12Å; K378-D382 WeakPolarHBondContact O-CB 3.36Å; K378-D382 VanDerWaalsContact O-CG 3.24Å; K378-D382 PolarHBondContact O-N 2.83Å
379K96.2Very high95.8Very high150 Ų15072.5 Ų72.565%0.65237%0.368SS*.Hα-helixtrans-59.6-43.4176.8-69.2172.5-173.41730111.8E375 I376 W377 K383E375-K379 WeakPolarHBondContact O-CG 3.4Å; E375-K379 PolarHBondContact O-N 3.27Å; I376-K379 PolarHBondContact O-N 3.14Å; W377-K379 PolarHBondContact O-N 3.01Å; K379-K383 WeakPolarHBondContact O-CB 3.29Å; K379-K383 PolarHBondContact O-N 3.02Å; K379-K383 VanDerWaalsContact O-N 3.12Å
380R95.8Very high95.5Very high76 Ų7675 Ų7529%0.28739%0.388SS..Hα-helixtrans-65.4-43176.5-67.2179.275.2107.7-4.7111.7N119 E162 I376 W377 K378 K383 F384N119-R380 PolarHBondContact OD1-NH2 2.88Å; E162-R380 IonicContact OE1-CZ 2.62Å; E162-R380 IonicContact OE1-NH1 2.84Å; E162-R380 PolarHBondContact OE1-NH1 2.99Å; E162-R380 IonicContact OE2-NH1 3.97Å; E162-R380 PolarHBondContact OE2-NH1 3.36Å; I376-R380 PolarHBondContact O-N 2.95Å; I376-R380 VanDerWaalsContact O-N 3.14Å; W377-R380 PolarHBondContact O-N 3.14Å; K378-R380 VanDerWaalsContact C-N 3.33Å; K378-R380 PolarHBondContact O-N 2.85Å; R380-K383 PolarHBondContact O-N 3.5Å; R380-F384 WeakPolarHBondContact O-CB 3.3Å; R380-F384 PolarHBondContact O-N 2.86Å
381W96.8Very high94Very high31 Ų3184.2 Ų84.212%0.11743%0.428CS..Hα-helixtrans-62.3-47.9177.7-178.3-88.7000111.9L349 K353 W377 K378 K383 F384 I385L349-W381 WeakPolarHBondContact O-CH2 3.49Å; K353-W381 HydrophobicContact CB-CH2 3.65Å; K353-W381 HydrophobicContact CB-CZ2 3.51Å; K353-W381 HydrophobicContact CB-CZ3 4.26Å; K353-W381 HydrophobicContact CD-CD2 4.34Å; K353-W381 HydrophobicContact CD-CZ2 3.86Å; K353-W381 HydrophobicContact CG-CD2 4.03Å; K353-W381 HydrophobicContact CG-CE3 4.44Å; K353-W381 HydrophobicContact CG-CH2 4.12Å; K353-W381 HydrophobicContact CG-CZ2 3.68Å; K353-W381 HydrophobicContact CG-CZ3 4.48Å; W377-W381 HydrophobicContact CH2-CB 4.23Å; W377-W381 HydrophobicContact CH2-CD2 4.13Å; W377-W381 HydrophobicContact CH2-CE3 4.32Å; W377-W381 HydrophobicContact CH2-CG 4.06Å; W377-W381 HydrophobicContact CZ2-CB 4.27Å; W377-W381 HydrophobicContact CZ2-CD2 4.04Å; W377-W381 AromaticContact CZ2-CE3 3.77Å; W377-W381 HydrophobicContact CZ2-CE3 3.77Å; W377-W381 HydrophobicContact CZ2-CG 4.25Å; W377-W381 HydrophobicContact CZ3-CB 4.36Å; W377-W381 WeakPolarHBondContact O-CB 3.01Å; W377-W381 PolarHBondContact O-N 3.19Å; K378-W381 PolarHBondContact O-N 3.12Å; W381-K383 VanDerWaalsContact C-N 3.32Å; W381-K383 PolarHBondContact O-N 3.04Å; W381-F384 HydrophobicContact CE3-CD1 4.43Å; W381-F384 HydrophobicContact CH2-CE1 4.38Å; W381-F384 HydrophobicContact CZ3-CD1 4.37Å; W381-F384 HydrophobicContact CZ3-CE1 4.44Å; W381-F384 WeakPolarHBondContact O-CB 2.87Å; W381-F384 PolarHBondContact O-N 3.22Å; W381-F384 VanDerWaalsContact O-N 3.17Å; W381-I385 HydrophobicContact CZ2-CD1 3.79Å; W381-I385 HydrophobicContact CZ2-CG1 4.24Å; W381-I385 WeakPolarHBondContact O-CG1 3.26Å; W381-I385 PolarHBondContact O-N 3.07Å
382D96.9Very high93.9Very high97 Ų9784.1 Ų84.152%0.51943%0.426SS..Hα-helixtrans-64.7-38.7-178.8-66.9-19.7000111.3K378 I385 A386K378-D382 WeakPolarHBondContact O-CB 3.36Å; K378-D382 VanDerWaalsContact O-CG 3.24Å; K378-D382 PolarHBondContact O-N 2.83Å; D382-I385 PolarHBondContact O-N 2.97Å; D382-A386 PolarHBondContact O-N 3.16Å
383K96.3Very high93.8Very high137 Ų13784.3 Ų84.360%0.59642%0.423SS*.Hα-helixtrans-60.3-49.3170.6177.8171.7178.7167.20111.7K379 R380 W381 I385 A386 D387K379-K383 WeakPolarHBondContact O-CB 3.29Å; K379-K383 PolarHBondContact O-N 3.02Å; K379-K383 VanDerWaalsContact O-N 3.12Å; R380-K383 PolarHBondContact O-N 3.5Å; W381-K383 VanDerWaalsContact C-N 3.32Å; W381-K383 PolarHBondContact O-N 3.04Å; K383-I385 VanDerWaalsContact C-N 3.31Å; K383-I385 PolarHBondContact O-N 2.03Å; K383-A386 PolarHBondContact O-N 2.82Å; K383-A386 VanDerWaalsContact O-N 3.17Å; K383-D387 VanDerWaalsContact O-CG 3.28Å; K383-D387 PolarHBondContact O-N 3.25Å
384F95.8Very high93.6Very high88 Ų8888.2 Ų88.239%0.38644%0.443SS..Hα-helixtrans-56.4-44.5177.1165.7-103.2000112L349 R380 W381 D387 V388L349-F384 HydrophobicContact CD2-CE1 4.27Å; L349-F384 HydrophobicContact CD2-CZ 4.48Å; R380-F384 WeakPolarHBondContact O-CB 3.3Å; R380-F384 PolarHBondContact O-N 2.86Å; W381-F384 HydrophobicContact CE3-CD1 4.43Å; W381-F384 HydrophobicContact CH2-CE1 4.38Å; W381-F384 HydrophobicContact CZ3-CD1 4.37Å; W381-F384 HydrophobicContact CZ3-CE1 4.44Å; W381-F384 WeakPolarHBondContact O-CB 2.87Å; W381-F384 PolarHBondContact O-N 3.22Å; W381-F384 VanDerWaalsContact O-N 3.17Å; F384-D387 PolarHBondContact O-N 3.01Å; F384-V388 HydrophobicContact CD2-CG2 4Å; F384-V388 HydrophobicContact CE1-CG2 4.23Å; F384-V388 HydrophobicContact CE2-CG2 3.53Å; F384-V388 HydrophobicContact CZ-CG2 3.67Å; F384-V388 WeakPolarHBondContact O-CG2 3.47Å; F384-V388 PolarHBondContact O-N 3.48Å
385I96.5Very high93.4Very high59 Ų5991.6 Ų91.630%0.30346%0.46SS..Hα-helixtrans-63.6-42177.3-66.4-59.5000111.6L349 W381 D382 K383 D387 V388 A389L349-I385 HydrophobicContact CD1-CD1 3.97Å; W381-I385 HydrophobicContact CZ2-CD1 3.79Å; W381-I385 HydrophobicContact CZ2-CG1 4.24Å; W381-I385 WeakPolarHBondContact O-CG1 3.26Å; W381-I385 PolarHBondContact O-N 3.07Å; D382-I385 PolarHBondContact O-N 2.97Å; K383-I385 VanDerWaalsContact C-N 3.31Å; K383-I385 PolarHBondContact O-N 2.03Å; I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 PolarHBondContact O-N 3.35Å; I385-V388 PolarHBondContact O-N 3.29Å; I385-A389 VanDerWaalsContact O-CB 3.27Å; I385-A389 WeakPolarHBondContact O-CB 3.44Å; I385-A389 PolarHBondContact O-N 2.67Å
386A96.2Very high93.3Very high52 Ų5290 Ų9043%0.4346%0.455SS..Hα-helixtrans-61.8-42.2175.500000112D382 K383 V388 A389 T390D382-A386 PolarHBondContact O-N 3.16Å; K383-A386 PolarHBondContact O-N 2.82Å; K383-A386 VanDerWaalsContact O-N 3.17Å; A386-V388 VanDerWaalsContact C-N 3.34Å; A386-V388 PolarHBondContact O-N 2.92Å; A386-A389 PolarHBondContact O-N 3.35Å; A386-T390 VanDerWaalsContact O-CG2 3.3Å; A386-T390 WeakPolarHBondContact O-CG2 3.37Å; A386-T390 PolarHBondContact O-N 3.43Å; A386-T390 PolarHBondContact O-OG1 3.29Å
387D95.4Very high93.1Very high79 Ų7993 Ų9342%0.42247%0.47SS..Hα-helixtrans-67.5-32.8178.4-67.7-16.9000112.3K383 F384 I385 T390 K391K383-D387 VanDerWaalsContact O-CG 3.28Å; K383-D387 PolarHBondContact O-N 3.25Å; F384-D387 PolarHBondContact O-N 3.01Å; I385-D387 VanDerWaalsContact C-N 3.34Å; I385-D387 PolarHBondContact O-N 3.35Å; D387-T390 PolarHBondContact O-OG1 3.02Å; D387-K391 WeakPolarHBondContact O-CG 3.37Å
388V92Very high92.9Very high62 Ų6297.4 Ų97.438%0.37650%0.495SS..Hα-helixtrans-77.4-39175.7171.40000111.6F384 I385 A386 T390 K391F384-V388 HydrophobicContact CD2-CG2 4Å; F384-V388 HydrophobicContact CE1-CG2 4.23Å; F384-V388 HydrophobicContact CE2-CG2 3.53Å; F384-V388 HydrophobicContact CZ-CG2 3.67Å; F384-V388 WeakPolarHBondContact O-CG2 3.47Å; F384-V388 PolarHBondContact O-N 3.48Å; I385-V388 PolarHBondContact O-N 3.29Å; A386-V388 VanDerWaalsContact C-N 3.34Å; A386-V388 PolarHBondContact O-N 2.92Å; V388-T390 PolarHBondContact O-N 2.86Å; V388-K391 PolarHBondContact O-N 3.24Å
389A90.3Very high92.6Very high80 Ų8096.8 Ų96.866%0.66150%0.498SS*.Hα-helixtrans-72.7-16.4-178.600000114I385 A386I385-A389 VanDerWaalsContact O-CB 3.27Å; I385-A389 WeakPolarHBondContact O-CB 3.44Å; I385-A389 PolarHBondContact O-N 2.67Å; A386-A389 PolarHBondContact O-N 3.35Å
390T89.4Confident92.3Very high119 Ų11992.3 Ų92.373%0.7349%0.485SS*.THydrogen-bonded Turntrans-95-4.9178.349.20000113.5A386 D387 V388A386-T390 VanDerWaalsContact O-CG2 3.3Å; A386-T390 WeakPolarHBondContact O-CG2 3.37Å; A386-T390 PolarHBondContact O-N 3.43Å; A386-T390 PolarHBondContact O-OG1 3.29Å; D387-T390 PolarHBondContact O-OG1 3.02Å; V388-T390 PolarHBondContact O-N 2.86Å
391K65.9Low92Very high228 Ų22893.8 Ų93.899%0.99150%0.503SS*.  trans-980170.1-69176.7-177178.50109.8D387 V388D387-K391 WeakPolarHBondContact O-CG 3.37Å; V388-K391 PolarHBondContact O-N 3.24Å

Retrieved 391 of 391 residues in 886.9 ms (Link to these results)

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