A0A060VYR3_ONCMY Loading...

AP complex mu/sigma subunit domain-containing protein

Part of the AP-3 complex, an adaptor-related complex which is not clathrin-associated. The complex is associated with the Golgi region as well as more peripheral structures. It facilitates the budding of vesicles from the Golgi membrane and may be directly involved in trafficking to lysosomes. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB (A0A4W5L9I0), UniProt , Accession A0A060VYR3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525261, Length 193 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
1M90.3Very high94.9Very high77 Ų7731.1 Ų31.138%0.37915%0.15SC..  0156.9069.3-179.2-70.100111.4V77 D78 E81M1-V77 WeakPolarHBondContact O-CA 3.47Å; M1-D78 PolarHBondContact O-N 2.92Å; M1-E81 WeakPolarHBondContact CA-OE1 3.34Å; M1-E81 PolarHBondContact N-OE1 3.48Å
2I94.6Very high94.6Very high2 Ų230.1 Ų30.11%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-79.3123.8173.9-59.7162.5000108.9I5 Y20 F75 V77 I86 L89 V124 G127 V129I2-I5 HydrophobicContact CG2-CD1 4.07Å; I2-I5 HydrophobicContact CG2-CG1 3.74Å; I2-Y20 HydrophobicContact CB-CD2 4.47Å; I2-Y20 HydrophobicContact CG2-CD2 4Å; I2-Y20 HydrophobicContact CG2-CE2 3.89Å; I2-Y20 WeakPolarHBondContact O-CD2 3.24Å; I2-F75 HydrophobicContact CD1-CD2 4.27Å; I2-F75 HydrophobicContact CD1-CE2 4.44Å; I2-F75 HydrophobicContact CG2-CD2 4.41Å; I2-V77 HydrophobicContact CB-CG1 4.4Å; I2-V77 HydrophobicContact CG1-CG1 3.9Å; I2-V77 HydrophobicContact CG2-CG1 4.5Å; I2-I86 HydrophobicContact CD1-CD1 4.12Å; I2-I86 HydrophobicContact CG1-CD1 3.99Å; I2-L89 HydrophobicContact CD1-CD2 3.99Å; I2-V124 HydrophobicContact CD1-CG1 3.86Å; I2-V124 HydrophobicContact CD1-CG2 4.12Å; I2-G127 WeakPolarHBondContact CB-O 3.46Å; I2-G127 PolarHBondContact N-O 3.12Å; I2-G127 WeakPolarHBondContact O-CA 3.21Å; I2-V129 HydrophobicContact CD1-CG2 3.95Å
3K93.4Very high94.6Very high30 Ų3037.6 Ų37.613%0.1319%0.185CC..EExtended strand (participates in β ladder)trans-94.5-39.7-178.7-65.2-173168-174.50112.7Y20 E21 N61 C76K3-Y20 PolarHBondContact O-N 3.13Å; K3-E21 WeakPolarHBondContact CD-OE2 3.44Å; K3-E21 VanDerWaalsContact CE-OE1 3.28Å; K3-E21 WeakPolarHBondContact CE-OE1 3.27Å; K3-E21 IonicContact NZ-OE1 2.88Å; K3-N61 WeakPolarHBondContact CD-OD1 3.32Å; K3-N61 WeakPolarHBondContact CE-OD1 2.91Å; K3-N61 VanDerWaalsContact NZ-CG 3.28Å; K3-N61 PolarHBondContact NZ-ND2 2.95Å; K3-N61 PolarHBondContact NZ-OD1 2.88Å; K3-C76 PolarHBondContact N-O 3.23Å
4A94.9Very high94.7Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-152149.4178.400000111.9K18 F19 I56 C76A4-K18 CarbonylContact C-O 3.5Å; A4-K18 WeakPolarHBondContact CA-O 3.46Å; A4-F19 HydrophobicContact CB-CD1 3.6Å; A4-F19 HydrophobicContact CB-CE1 3.87Å; A4-F19 HydrophobicContact CB-CG 4.34Å; A4-I56 HydrophobicContact CB-CD1 4.28Å; A4-C76 HydrophobicContact CB-CB 4.09Å; A4-C76 PolarHBondContact N-O 3.36Å; A4-C76 PolarHBondContact O-N 3.21Å
5I96.9Very high94.8Very high0 Ų040.9 Ų40.90%020%0.204CC..EExtended strand (participates in β ladder)trans-125.1120.8172.4-63.2173.1000107.5I2 K18 Y20 F75 L120 V124I2-I5 HydrophobicContact CG2-CD1 4.07Å; I2-I5 HydrophobicContact CG2-CG1 3.74Å; I5-K18 PolarHBondContact N-O 3.39Å; I5-K18 PolarHBondContact O-N 3.32Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.04Å; I5-F75 HydrophobicContact CB-CE1 4.46Å; I5-F75 HydrophobicContact CD1-CD2 3.96Å; I5-F75 HydrophobicContact CD1-CE1 4.4Å; I5-F75 HydrophobicContact CD1-CE2 3.42Å; I5-F75 VanDerWaalsContact CD1-CE2 3.42Å; I5-F75 HydrophobicContact CD1-CZ 3.68Å; I5-F75 HydrophobicContact CG1-CD1 4.26Å; I5-F75 HydrophobicContact CG1-CD2 3.8Å; I5-F75 HydrophobicContact CG1-CE1 4.2Å; I5-F75 HydrophobicContact CG1-CE2 3.74Å; I5-F75 HydrophobicContact CG1-CG 4.07Å; I5-F75 HydrophobicContact CG1-CZ 3.95Å; I5-F75 HydrophobicContact CG2-CD1 4.05Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CE2 4.5Å; I5-F75 HydrophobicContact CG2-CZ 3.83Å; I5-L120 HydrophobicContact CB-CD2 4.36Å; I5-L120 HydrophobicContact CD1-CD1 3.68Å; I5-L120 HydrophobicContact CD1-CD2 4.25Å; I5-L120 HydrophobicContact CD1-CG 4.49Å; I5-L120 HydrophobicContact CG2-CD1 4.48Å; I5-L120 HydrophobicContact CG2-CD2 4.2Å; I5-V124 HydrophobicContact CD1-CB 4.25Å; I5-V124 HydrophobicContact CD1-CG1 4.23Å; I5-V124 HydrophobicContact CD1-CG2 4.19Å
6L96.8Very high94.9Very high0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans-125.1134.8-174.4-55.2177.8000109.3F8 L16 F19 I32 T35 V74L6-F8 HydrophobicContact CB-CD1 4.17Å; L6-F8 HydrophobicContact CB-CE1 4.1Å; L6-L16 WeakPolarHBondContact CA-O 3.29Å; L6-F19 HydrophobicContact CD2-CE1 4.48Å; L6-F19 HydrophobicContact CD2-CE2 4.18Å; L6-F19 HydrophobicContact CD2-CZ 3.91Å; L6-I32 HydrophobicContact CD1-CG1 4.17Å; L6-I32 HydrophobicContact CD2-CG1 4.02Å; L6-T35 HydrophobicContact CD1-CG2 4.22Å; L6-V74 HydrophobicContact CB-CB 4.45Å; L6-V74 PolarHBondContact N-O 3.08Å; L6-V74 PolarHBondContact O-N 3.16Å
7I97.6Very high95Very high0 Ų038.8 Ų38.80%020%0.198CC..EExtended strand (participates in β ladder)trans-122.8127.8165.8-53.9173.3000107.1P14 R15 L16 L71 Y72 F73 F93 L109I7-P14 CarbonylContact O-C 3.53Å; I7-P14 WeakPolarHBondContact O-CA 3.5Å; I7-R15 HydrophobicContact CB-CB 4.39Å; I7-R15 HydrophobicContact CG2-CB 4.15Å; I7-R15 PolarHBondContact O-N 3.33Å; I7-L16 HydrophobicContact CB-CB 3.78Å; I7-L16 HydrophobicContact CD1-CB 3.71Å; I7-L16 HydrophobicContact CD1-CD2 3.56Å; I7-L16 HydrophobicContact CD1-CG 4.3Å; I7-L16 HydrophobicContact CG1-CB 3.78Å; I7-L16 HydrophobicContact CG1-CD2 4.03Å; I7-L16 PolarHBondContact N-O 3.46Å; I7-L16 PolarHBondContact O-N 3.34Å; I7-L16 VanDerWaalsContact O-N 3.14Å; I7-L71 HydrophobicContact CG2-CB 4.24Å; I7-L71 HydrophobicContact CG2-CD1 4.26Å; I7-L71 HydrophobicContact CG2-CD2 4.21Å; I7-L71 HydrophobicContact CG2-CG 4.49Å; I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.46Å; I7-F73 HydrophobicContact CD1-CD1 3.75Å; I7-F73 HydrophobicContact CD1-CE1 3.35Å; I7-F73 HydrophobicContact CD1-CZ 3.98Å; I7-F73 HydrophobicContact CG1-CD1 3.77Å; I7-F73 HydrophobicContact CG1-CE1 3.88Å; I7-F73 HydrophobicContact CG1-CG 4.32Å; I7-F73 HydrophobicContact CG1-CZ 4.49Å; I7-F73 HydrophobicContact CG2-CD2 4.5Å; I7-F73 HydrophobicContact CG2-CE1 4.48Å; I7-F73 HydrophobicContact CG2-CE2 4.3Å; I7-F73 HydrophobicContact CG2-CZ 4.28Å; I7-F93 HydrophobicContact CD1-CE1 3.9Å; I7-F93 HydrophobicContact CD1-CZ 4.34Å; I7-L109 HydrophobicContact CD1-CD2 4.03Å; I7-L109 HydrophobicContact CG2-CD2 4.15Å
8F96.5Very high95Very high1 Ų141.4 Ų41.40%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-143.8156.7174.344.5-102000110.8L6 K13 T35 F36 V39 Y72 V74L6-F8 HydrophobicContact CB-CD1 4.17Å; L6-F8 HydrophobicContact CB-CE1 4.1Å; F8-K13 WeakPolarHBondContact CA-O 3.44Å; F8-K13 VanDerWaalsContact CB-O 3.32Å; F8-K13 WeakPolarHBondContact CB-O 3.25Å; F8-T35 HydrophobicContact CE1-CG2 4.02Å; F8-T35 HydrophobicContact CZ-CG2 4.07Å; F8-F36 HydrophobicContact CD2-CB 4.32Å; F8-F36 AromaticContact CD2-CD2 3.52Å; F8-F36 HydrophobicContact CD2-CD2 3.52Å; F8-F36 HydrophobicContact CD2-CE2 4.33Å; F8-F36 HydrophobicContact CD2-CG 4.36Å; F8-F36 HydrophobicContact CE2-CB 4.04Å; F8-F36 AromaticContact CE2-CD2 3.53Å; F8-F36 HydrophobicContact CE2-CD2 3.53Å; F8-F36 HydrophobicContact CE2-CG 4.28Å; F8-F36 HydrophobicContact CG-CD2 4.48Å; F8-F36 HydrophobicContact CZ-CB 4.2Å; F8-F36 HydrophobicContact CZ-CD2 4.48Å; F8-V39 HydrophobicContact CE2-CG2 3.55Å; F8-V39 HydrophobicContact CZ-CG2 3.61Å; F8-Y72 AromaticContact CD2-CD2 3.94Å; F8-Y72 HydrophobicContact CD2-CD2 3.94Å; F8-Y72 HydrophobicContact CD2-CG 4.18Å; F8-Y72 AromaticContact CE2-CD2 3.86Å; F8-Y72 HydrophobicContact CE2-CD2 3.86Å; F8-Y72 AromaticContact CE2-CG 3.75Å; F8-Y72 HydrophobicContact CE2-CG 3.75Å; F8-Y72 PolarHBondContact N-O 3.27Å; F8-Y72 PolarHBondContact O-N 3.31Å; F8-V74 HydrophobicContact CE1-CB 4.44Å; F8-V74 HydrophobicContact CE1-CG2 3.78Å; F8-V74 HydrophobicContact CE2-CG2 4.36Å; F8-V74 HydrophobicContact CZ-CG2 3.49Å; F8-V74 VanDerWaalsContact CZ-CG2 3.49Å
9N95.6Very high95Very high8 Ų840.6 Ų40.64%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-85.4179.9-179.275-1000113.3H11 G12 K13 R15 F36 T70 L71 E106N9-H11 PolarHBondContact O-N 2.82Å; N9-H11 WeakPolarHBondContact OD1-CA 3.44Å; N9-H11 WeakPolarHBondContact OD1-CB 3.49Å; N9-H11 PolarHBondContact OD1-N 2.83Å; N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 PolarHBondContact OD1-N 3.49Å; N9-K13 PolarHBondContact N-O 3.31Å; N9-K13 WeakPolarHBondContact OD1-CB 3.44Å; N9-K13 PolarHBondContact OD1-N 3.31Å; N9-R15 PolarHBondContact ND2-NH2 3.26Å; N9-F36 WeakPolarHBondContact O-CE2 3.32Å; N9-T70 CarbonylContact C-O 3.53Å; N9-T70 WeakPolarHBondContact CA-O 3.31Å; N9-L71 HydrophobicContact CB-CD2 4Å; N9-E106 VanDerWaalsContact CB-OE1 3.24Å; N9-E106 WeakPolarHBondContact CB-OE1 3.43Å; N9-E106 PolarHBondContact ND2-OE1 3.49Å
10N93.6Very high95Very high70 Ų7040.7 Ų40.737%0.37420%0.201SC..THydrogen-bonded Turntrans-59.8-10.1177.1-65.2-10.6000115F36 H67 T70 Y72N10-F36 WeakPolarHBondContact O-CZ 3.26Å; N10-H67 PolarHBondContact OD1-NE2 3.15Å; N10-T70 PolarHBondContact N-O 2.75Å; N10-T70 VanDerWaalsContact N-O 3.07Å; N10-T70 PolarHBondContact OD1-O 3Å; N10-T70 VanDerWaalsContact OD1-O 3.14Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.42Å
11H93.8Very high94.7Very high154 Ų15441.7 Ų41.771%0.71321%0.206SC*.THydrogen-bonded Turntrans-104.85.8175.8-55.8106000113N9 K13N9-H11 PolarHBondContact O-N 2.82Å; N9-H11 WeakPolarHBondContact OD1-CA 3.44Å; N9-H11 WeakPolarHBondContact OD1-CB 3.49Å; N9-H11 PolarHBondContact OD1-N 2.83Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.48Å
12G91.1Very high94.6Very high19 Ų1946.3 Ų46.320%0.19623%0.226CC..SBendtrans74.716.2-178.700000114N9 F36N9-G12 PolarHBondContact O-N 3.19Å; N9-G12 PolarHBondContact OD1-N 3.49Å; G12-F36 VanDerWaalsContact CA-CD2 3.46Å; G12-F36 VanDerWaalsContact N-CE2 3.28Å; G12-F36 VanDerWaalsContact N-CZ 3.28Å
13K94.8Very high94.3Very high128 Ų12848.2 Ų48.256%0.55723%0.233SC*.  trans-81.6122.1173.9-66.9-175176.6-179.60109.5F8 N9 H11F8-K13 WeakPolarHBondContact CA-O 3.44Å; F8-K13 VanDerWaalsContact CB-O 3.32Å; F8-K13 WeakPolarHBondContact CB-O 3.25Å; N9-K13 PolarHBondContact N-O 3.31Å; N9-K13 WeakPolarHBondContact OD1-CB 3.44Å; N9-K13 PolarHBondContact OD1-N 3.31Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.48Å
14P95.6Very high94.3Very high66 Ų6652 Ų5243%0.42925%0.254SS..EExtended strand (participates in β ladder)trans-67.1137.4177.227.6-33000111I7 I32I7-P14 CarbonylContact O-C 3.53Å; I7-P14 WeakPolarHBondContact O-CA 3.5Å; P14-I32 HydrophobicContact CB-CG2 4.47Å
15R96.1Very high94.1Very high58 Ų5859.1 Ų59.122%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-108.6-30.5171.6-56-50.8-177.8-172.38.3111.4I7 N9 L71 E106 L109I7-R15 HydrophobicContact CB-CB 4.39Å; I7-R15 HydrophobicContact CG2-CB 4.15Å; I7-R15 PolarHBondContact O-N 3.33Å; N9-R15 PolarHBondContact ND2-NH2 3.26Å; R15-L71 HydrophobicContact CG-CD2 3.85Å; R15-E106 IonicContact CZ-OE1 3.89Å; R15-E106 IonicContact NE-OE1 2.68Å; R15-E106 PolarHBondContact NE-OE1 2.94Å; R15-E106 IonicContact NH2-OE1 3.19Å; R15-E106 PolarHBondContact NH2-OE1 3.02Å; R15-L109 HydrophobicContact CB-CB 4.5Å; R15-L109 HydrophobicContact CB-CD2 4.49Å
16L96.6Very high93.9Very high4 Ų465.3 Ų65.32%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-142.9136.4172.4-171.870.1000108.4L6 I7 F93 V116 H117 L120L6-L16 WeakPolarHBondContact CA-O 3.29Å; I7-L16 HydrophobicContact CB-CB 3.78Å; I7-L16 HydrophobicContact CD1-CB 3.71Å; I7-L16 HydrophobicContact CD1-CD2 3.56Å; I7-L16 HydrophobicContact CD1-CG 4.3Å; I7-L16 HydrophobicContact CG1-CB 3.78Å; I7-L16 HydrophobicContact CG1-CD2 4.03Å; I7-L16 PolarHBondContact N-O 3.46Å; I7-L16 PolarHBondContact O-N 3.34Å; I7-L16 VanDerWaalsContact O-N 3.14Å; L16-F93 HydrophobicContact CD2-CE1 4.16Å; L16-F93 HydrophobicContact CD2-CZ 4Å; L16-V116 HydrophobicContact CD1-CG1 3.96Å; L16-V116 HydrophobicContact CD2-CG1 4.03Å; L16-H117 WeakPolarHBondContact CD1-CE1 3.2Å; L16-H117 WeakPolarHBondContact CD1-NE2 3.23Å; L16-L120 HydrophobicContact CD2-CD2 3.85Å
17S96.1Very high93.7Very high42 Ų4267.4 Ų67.429%0.29433%0.334SS..EExtended strand (participates in β ladder)trans-142.2109.6172.9-62.20000108.4I32S17-I32 WeakPolarHBondContact OG-CD1 3.49Å
18K96.1Very high93.4Very high87 Ų8770 Ų7038%0.37835%0.346SS..EExtended strand (participates in β ladder)trans-125.3110.8178.8-17467.8176.5-175.10109A4 I5 Y20 L120A4-K18 CarbonylContact C-O 3.5Å; A4-K18 WeakPolarHBondContact CA-O 3.46Å; I5-K18 PolarHBondContact N-O 3.39Å; I5-K18 PolarHBondContact O-N 3.32Å; K18-Y20 HydrophobicContact CG-CE1 4.02Å; K18-Y20 HydrophobicContact CG-CE2 4.3Å; K18-L120 HydrophobicContact CB-CD2 3.94Å; K18-L120 HydrophobicContact CG-CD2 4.12Å
19F95.2Very high93.3Very high26 Ų2674.4 Ų74.411%0.11437%0.367CS..EExtended strand (participates in β ladder)trans-98.5134.7171.8-63.2-90.3000109.3A4 L6 Y23 E28 I31 I32A4-F19 HydrophobicContact CB-CD1 3.6Å; A4-F19 HydrophobicContact CB-CE1 3.87Å; A4-F19 HydrophobicContact CB-CG 4.34Å; L6-F19 HydrophobicContact CD2-CE1 4.48Å; L6-F19 HydrophobicContact CD2-CE2 4.18Å; L6-F19 HydrophobicContact CD2-CZ 3.91Å; F19-Y23 HydrophobicContact CB-CD2 4.26Å; F19-Y23 AromaticContact CD1-CD2 3.72Å; F19-Y23 HydrophobicContact CD1-CD2 3.72Å; F19-Y23 HydrophobicContact CD1-CE2 4.01Å; F19-Y23 HydrophobicContact CE1-CD2 4.46Å; F19-Y23 HydrophobicContact CG-CD2 4.25Å; F19-E28 HydrophobicContact CD1-CG 4.46Å; F19-E28 HydrophobicContact CD2-CB 4.34Å; F19-E28 VanDerWaalsContact CD2-CD 3.47Å; F19-E28 HydrophobicContact CD2-CG 3.83Å; F19-E28 WeakPolarHBondContact CD2-OE1 3.5Å; F19-E28 HydrophobicContact CE1-CG 4.34Å; F19-E28 HydrophobicContact CE2-CB 3.7Å; F19-E28 HydrophobicContact CE2-CG 3.71Å; F19-E28 HydrophobicContact CG-CG 4.23Å; F19-E28 HydrophobicContact CZ-CB 3.83Å; F19-E28 HydrophobicContact CZ-CG 3.98Å; F19-I31 HydrophobicContact CE1-CB 4.49Å; F19-I31 HydrophobicContact CE1-CD1 4.27Å; F19-I31 HydrophobicContact CE1-CG2 4.07Å; F19-I31 HydrophobicContact CZ-CG2 4.45Å; F19-I32 HydrophobicContact CE2-CD1 4.36Å; F19-I32 HydrophobicContact CZ-CD1 4.34Å; F19-I32 HydrophobicContact CZ-CG1 4.18Å
20Y94Very high93.1Very high42 Ų4279.1 Ų79.117%0.16539%0.388CS..SBendtrans-100.5-13.3175.8-64.2-69000112.5I2 K3 I5 K18 V124 G127I2-Y20 HydrophobicContact CB-CD2 4.47Å; I2-Y20 HydrophobicContact CG2-CD2 4Å; I2-Y20 HydrophobicContact CG2-CE2 3.89Å; I2-Y20 WeakPolarHBondContact O-CD2 3.24Å; K3-Y20 PolarHBondContact O-N 3.13Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.04Å; K18-Y20 HydrophobicContact CG-CE1 4.02Å; K18-Y20 HydrophobicContact CG-CE2 4.3Å; Y20-V124 HydrophobicContact CE1-CG1 4.31Å; Y20-V124 HydrophobicContact CE2-CG1 3.82Å; Y20-V124 WeakPolarHBondContact OH-CB 3.06Å; Y20-V124 VanDerWaalsContact OH-CG1 3.29Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.43Å; Y20-V124 PolarHBondContact OH-O 3.48Å; Y20-G127 VanDerWaalsContact CG-N 3.29Å
21E89.4Confident93.1Very high62 Ų6275.8 Ų75.829%0.2937%0.37SS..SBendtrans-105155.3167.6-66.8175.815800109.4K3 Y23K3-E21 WeakPolarHBondContact CD-OE2 3.44Å; K3-E21 VanDerWaalsContact CE-OE1 3.28Å; K3-E21 WeakPolarHBondContact CE-OE1 3.27Å; K3-E21 IonicContact NZ-OE1 2.88Å; E21-Y23 HydrophobicContact CB-CD2 4.34Å; E21-Y23 HydrophobicContact CB-CE2 3.62Å; E21-Y23 WeakPolarHBondContact O-CD2 3.47Å; E21-Y23 PolarHBondContact OE2-OH 3.03Å
22H88.3Confident93.1Very high174 Ų17469.3 Ų69.381%0.80634%0.341SS*.  trans-81.1122.8179.5-174.160.6000110.7
23Y88.8Confident93.2Very high42 Ų4276.6 Ų76.617%0.16536%0.363CS..  trans-127.8155.4173.2-64.9-79.5000109.6F19 E21 T27 I31F19-Y23 HydrophobicContact CB-CD2 4.26Å; F19-Y23 AromaticContact CD1-CD2 3.72Å; F19-Y23 HydrophobicContact CD1-CD2 3.72Å; F19-Y23 HydrophobicContact CD1-CE2 4.01Å; F19-Y23 HydrophobicContact CE1-CD2 4.46Å; F19-Y23 HydrophobicContact CG-CD2 4.25Å; E21-Y23 HydrophobicContact CB-CD2 4.34Å; E21-Y23 HydrophobicContact CB-CE2 3.62Å; E21-Y23 WeakPolarHBondContact O-CD2 3.47Å; E21-Y23 PolarHBondContact OE2-OH 3.03Å; Y23-T27 HydrophobicContact CD1-CG2 4.03Å; Y23-I31 HydrophobicContact CD1-CD1 4.02Å; Y23-I31 HydrophobicContact CE1-CD1 4.07Å; Y23-I31 HydrophobicContact CG-CD1 4.28Å
24N92.3Very high93.1Very high108 Ų10872.8 Ų72.858%0.57835%0.347SS*.  trans-73149.9169.2-65.9-6.1000109.3D26 T27 E28N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact O-N 3.29Å; N24-T27 CarbonylContact O-C 3.59Å; N24-T27 WeakPolarHBondContact O-CA 3.44Å; N24-T27 WeakPolarHBondContact O-CB 3.43Å; N24-T27 PolarHBondContact O-N 2.99Å; N24-E28 PolarHBondContact O-N 3.03Å
25E91.6Very high93Very high151 Ų15169.7 Ų69.771%0.70633%0.327SS*.Hα-helixtrans-54.4-41.7-179.2-66.1-177.9-17800112.9T27 E28 Q29E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.39Å; E25-E28 PolarHBondContact O-N 3.3Å; E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 3.22Å
26D92.8Very high92.9Very high129 Ų12969 Ų6969%0.6933%0.325SS*.Hα-helixtrans-60-40.3176-68.5-54.1000111.8N24 Q30N24-D26 VanDerWaalsContact C-N 3.27Å; N24-D26 PolarHBondContact O-N 3.29Å; D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 2.65Å
27T91.4Very high92.6Very high45 Ų4573.6 Ų73.628%0.27635%0.347SS..Hα-helixtrans-70.2-43.2178.8-53.30000111.1Y23 N24 E25 Q29 Q30 I31Y23-T27 HydrophobicContact CD1-CG2 4.03Å; N24-T27 CarbonylContact O-C 3.59Å; N24-T27 WeakPolarHBondContact O-CA 3.44Å; N24-T27 WeakPolarHBondContact O-CB 3.43Å; N24-T27 PolarHBondContact O-N 2.99Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.39Å; T27-Q29 VanDerWaalsContact C-N 3.33Å; T27-Q29 PolarHBondContact O-N 3.06Å; T27-Q30 PolarHBondContact O-N 3.33Å; T27-Q30 VanDerWaalsContact O-N 3.15Å; T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 HydrophobicContact CG2-CG1 4.43Å; T27-I31 VanDerWaalsContact O-CG1 3.29Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 3.49Å
28E92.7Very high92.4Very high55 Ų5574.5 Ų74.526%0.25735%0.348SS..Hα-helixtrans-57.7-46.3175.2-68.8-172.4165.100111.4F19 N24 E25 Q30 I31 I32F19-E28 HydrophobicContact CD1-CG 4.46Å; F19-E28 HydrophobicContact CD2-CB 4.34Å; F19-E28 VanDerWaalsContact CD2-CD 3.47Å; F19-E28 HydrophobicContact CD2-CG 3.83Å; F19-E28 WeakPolarHBondContact CD2-OE1 3.5Å; F19-E28 HydrophobicContact CE1-CG 4.34Å; F19-E28 HydrophobicContact CE2-CB 3.7Å; F19-E28 HydrophobicContact CE2-CG 3.71Å; F19-E28 HydrophobicContact CG-CG 4.23Å; F19-E28 HydrophobicContact CZ-CB 3.83Å; F19-E28 HydrophobicContact CZ-CG 3.98Å; N24-E28 PolarHBondContact O-N 3.03Å; E25-E28 PolarHBondContact O-N 3.3Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; E28-I31 PolarHBondContact O-N 2.91Å; E28-I32 WeakPolarHBondContact O-CG1 3.38Å; E28-I32 PolarHBondContact O-N 3.07Å
29Q93.1Very high92.2Very high93 Ų9370.4 Ų70.444%0.43533%0.33SS..Hα-helixtrans-62.6-39176.7-70.9-175.62700112.2E25 T27 I32 R33E25-Q29 WeakPolarHBondContact O-CG 3.39Å; E25-Q29 PolarHBondContact O-N 3.22Å; T27-Q29 VanDerWaalsContact C-N 3.33Å; T27-Q29 PolarHBondContact O-N 3.06Å; Q29-I32 PolarHBondContact O-N 3.33Å; Q29-R33 VanDerWaalsContact O-CG 3.29Å; Q29-R33 WeakPolarHBondContact O-CG 3.1Å; Q29-R33 PolarHBondContact O-N 3.06Å; Q29-R33 VanDerWaalsContact O-N 3.11Å
30Q92.6Very high91.9Very high106 Ų10670.9 Ų70.950%0.49534%0.337SS..Hα-helixtrans-68.1-40.9178.5-157.6-175.2-20.400111.4D26 T27 E28 R33 E34 L55D26-Q30 WeakPolarHBondContact O-CB 3.37Å; D26-Q30 PolarHBondContact O-N 2.65Å; T27-Q30 PolarHBondContact O-N 3.33Å; T27-Q30 VanDerWaalsContact O-N 3.15Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; Q30-R33 PolarHBondContact O-N 3.33Å; Q30-E34 WeakPolarHBondContact O-CB 3.29Å; Q30-E34 PolarHBondContact O-N 3.03Å; Q30-L55 HydrophobicContact CB-CD1 3.82Å; Q30-L55 HydrophobicContact CG-CD1 3.33Å
31I92.4Very high91.5Very high0 Ų076.1 Ų76.10%036%0.36CS..Hα-helixtrans-58.3-51173.3-71.5166.5000110F19 Y23 T27 E28 R33 E34 T35 L55 I56F19-I31 HydrophobicContact CE1-CB 4.49Å; F19-I31 HydrophobicContact CE1-CD1 4.27Å; F19-I31 HydrophobicContact CE1-CG2 4.07Å; F19-I31 HydrophobicContact CZ-CG2 4.45Å; Y23-I31 HydrophobicContact CD1-CD1 4.02Å; Y23-I31 HydrophobicContact CE1-CD1 4.07Å; Y23-I31 HydrophobicContact CG-CD1 4.28Å; T27-I31 HydrophobicContact CG2-CD1 4Å; T27-I31 HydrophobicContact CG2-CG1 4.43Å; T27-I31 VanDerWaalsContact O-CG1 3.29Å; T27-I31 WeakPolarHBondContact O-CG1 3.2Å; T27-I31 PolarHBondContact O-N 3.49Å; E28-I31 PolarHBondContact O-N 2.91Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.45Å; I31-E34 PolarHBondContact O-N 2.66Å; I31-E34 VanDerWaalsContact O-N 3.17Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 PolarHBondContact O-N 2.95Å; I31-T35 PolarHBondContact O-OG1 3.5Å; I31-L55 HydrophobicContact CG1-CB 3.76Å; I31-I56 HydrophobicContact CG2-CB 4.47Å; I31-I56 HydrophobicContact CG2-CD1 3.78Å
32I93.9Very high91.4Very high18 Ų1877.1 Ų77.19%0.09236%0.362CS..Hα-helixtrans-57-44-180-68.4164.2000111.1L6 P14 S17 F19 E28 Q29 F36L6-I32 HydrophobicContact CD1-CG1 4.17Å; L6-I32 HydrophobicContact CD2-CG1 4.02Å; P14-I32 HydrophobicContact CB-CG2 4.47Å; S17-I32 WeakPolarHBondContact OG-CD1 3.49Å; F19-I32 HydrophobicContact CE2-CD1 4.36Å; F19-I32 HydrophobicContact CZ-CD1 4.34Å; F19-I32 HydrophobicContact CZ-CG1 4.18Å; E28-I32 WeakPolarHBondContact O-CG1 3.38Å; E28-I32 PolarHBondContact O-N 3.07Å; Q29-I32 PolarHBondContact O-N 3.33Å; I32-F36 WeakPolarHBondContact O-CB 3.46Å; I32-F36 PolarHBondContact O-N 3.25Å
33R93.2Very high91.3Very high173 Ų17373.5 Ų73.565%0.65335%0.348SS*.Hα-helixtrans-65.1-44178.5-70.8175.3-168-175.99112.1Q29 Q30 I31 H37Q29-R33 VanDerWaalsContact O-CG 3.29Å; Q29-R33 WeakPolarHBondContact O-CG 3.1Å; Q29-R33 PolarHBondContact O-N 3.06Å; Q29-R33 VanDerWaalsContact O-N 3.11Å; Q30-R33 PolarHBondContact O-N 3.33Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.45Å; R33-H37 PolarHBondContact O-N 3.41Å; R33-H37 VanDerWaalsContact O-N 3.1Å
34E92.6Very high91Very high47 Ų4779.6 Ų79.622%0.2238%0.378CS..Hα-helixtrans-63.2-49.6177.4-173.6-179-161.800110.6Q30 I31 F36 H37 L38 G53 M54 L55Q30-E34 WeakPolarHBondContact O-CB 3.29Å; Q30-E34 PolarHBondContact O-N 3.03Å; I31-E34 PolarHBondContact O-N 2.66Å; I31-E34 VanDerWaalsContact O-N 3.17Å; E34-F36 PolarHBondContact O-N 3.38Å; E34-H37 WeakPolarHBondContact O-CB 3.5Å; E34-H37 PolarHBondContact O-N 2.94Å; E34-H37 VanDerWaalsContact O-N 3.09Å; E34-L38 HydrophobicContact CG-CD1 4.22Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.19Å; E34-G53 VanDerWaalsContact OE1-CA 3.29Å; E34-G53 WeakPolarHBondContact OE1-CA 3.45Å; E34-M54 PolarHBondContact OE1-N 2.97Å; E34-L55 HydrophobicContact CB-CD1 4.37Å; E34-L55 VanDerWaalsContact OE2-CB 3.23Å; E34-L55 WeakPolarHBondContact OE2-CB 3.15Å; E34-L55 VanDerWaalsContact OE2-CD1 3.3Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.22Å; E34-L55 WeakPolarHBondContact OE2-CG 3.48Å; E34-L55 PolarHBondContact OE2-N 2.97Å
35T93.3Very high90.6Very high2 Ų281.6 Ų81.61%0.01239%0.389CS..Hα-helixtrans-57.5-46.4178-57.60000111.6L6 F8 I31 H37 L38 V39 L63 V74L6-T35 HydrophobicContact CD1-CG2 4.22Å; F8-T35 HydrophobicContact CE1-CG2 4.02Å; F8-T35 HydrophobicContact CZ-CG2 4.07Å; I31-T35 WeakPolarHBondContact O-CB 3.43Å; I31-T35 PolarHBondContact O-N 2.95Å; I31-T35 PolarHBondContact O-OG1 3.5Å; T35-H37 VanDerWaalsContact C-N 3.31Å; T35-H37 PolarHBondContact O-N 3.16Å; T35-L38 PolarHBondContact O-N 2.97Å; T35-V39 WeakPolarHBondContact O-CG2 3.38Å; T35-V39 PolarHBondContact O-N 3.27Å; T35-V39 VanDerWaalsContact O-N 3.14Å; T35-L63 HydrophobicContact CG2-CD1 4.26Å; T35-L63 HydrophobicContact CG2-CD2 4.38Å; T35-V74 HydrophobicContact CG2-CB 4.27Å; T35-V74 HydrophobicContact CG2-CG1 3.71Å; T35-V74 HydrophobicContact CG2-CG2 4.33Å
36F93.9Very high90.5Very high42 Ų4277.2 Ų77.218%0.18437%0.372CS..Hα-helixtrans-59-42.5176173.8-110.1000111.9F8 N9 N10 G12 I32 E34 L38 V39 S40 Y72F8-F36 HydrophobicContact CD2-CB 4.32Å; F8-F36 AromaticContact CD2-CD2 3.52Å; F8-F36 HydrophobicContact CD2-CD2 3.52Å; F8-F36 HydrophobicContact CD2-CE2 4.33Å; F8-F36 HydrophobicContact CD2-CG 4.36Å; F8-F36 HydrophobicContact CE2-CB 4.04Å; F8-F36 AromaticContact CE2-CD2 3.53Å; F8-F36 HydrophobicContact CE2-CD2 3.53Å; F8-F36 HydrophobicContact CE2-CG 4.28Å; F8-F36 HydrophobicContact CG-CD2 4.48Å; F8-F36 HydrophobicContact CZ-CB 4.2Å; F8-F36 HydrophobicContact CZ-CD2 4.48Å; N9-F36 WeakPolarHBondContact O-CE2 3.32Å; N10-F36 WeakPolarHBondContact O-CZ 3.26Å; G12-F36 VanDerWaalsContact CA-CD2 3.46Å; G12-F36 VanDerWaalsContact N-CE2 3.28Å; G12-F36 VanDerWaalsContact N-CZ 3.28Å; I32-F36 WeakPolarHBondContact O-CB 3.46Å; I32-F36 PolarHBondContact O-N 3.25Å; E34-F36 PolarHBondContact O-N 3.38Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.44Å; F36-V39 PolarHBondContact O-N 2.91Å; F36-S40 WeakPolarHBondContact O-CB 3.26Å; F36-S40 PolarHBondContact O-N 3.47Å; F36-S40 PolarHBondContact O-OG 3.13Å; F36-Y72 HydrophobicContact CE2-CE2 4.46Å
37H92Very high90.3Very high102 Ų10274.5 Ų74.547%0.47236%0.362SS..Hα-helixtrans-64.4-36.9179.8-161.985.4000112.9R33 E34 T35 K41R33-H37 PolarHBondContact O-N 3.41Å; R33-H37 VanDerWaalsContact O-N 3.1Å; E34-H37 WeakPolarHBondContact O-CB 3.5Å; E34-H37 PolarHBondContact O-N 2.94Å; E34-H37 VanDerWaalsContact O-N 3.09Å; T35-H37 VanDerWaalsContact C-N 3.31Å; T35-H37 PolarHBondContact O-N 3.16Å; H37-K41 WeakPolarHBondContact CE1-CE 3.41Å; H37-K41 PolarHBondContact CE1-NZ 3.39Å; H37-K41 VanDerWaalsContact NE2-CE 3.32Å; H37-K41 WeakPolarHBondContact NE2-CE 3.19Å; H37-K41 PolarHBondContact NE2-NZ 2.99Å
38L90.1Very high90.3Very high60 Ų6074.6 Ų74.631%0.31436%0.361SS..Hα-helixtrans-69.1-38178.5-70.3171.8000112.4E34 T35 F36 R42 L50 L63E34-L38 HydrophobicContact CG-CD1 4.22Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.19Å; T35-L38 PolarHBondContact O-N 2.97Å; F36-L38 VanDerWaalsContact C-N 3.32Å; F36-L38 PolarHBondContact O-N 3.44Å; L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.49Å; L38-L50 HydrophobicContact CB-CD2 4.04Å; L38-L63 HydrophobicContact CD1-CD1 3.86Å
39V91.8Very high90.3Very high1 Ų175 Ų751%0.00636%0.362CS..Hα-helixtrans-89.7-35.6-176.9-55.80000113.8F8 T35 F36 K41 R42 L50 Y65 Y72 V74F8-V39 HydrophobicContact CE2-CG2 3.55Å; F8-V39 HydrophobicContact CZ-CG2 3.61Å; T35-V39 WeakPolarHBondContact O-CG2 3.38Å; T35-V39 PolarHBondContact O-N 3.27Å; T35-V39 VanDerWaalsContact O-N 3.14Å; F36-V39 PolarHBondContact O-N 2.91Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 3.07Å; V39-R42 WeakPolarHBondContact O-CB 3.33Å; V39-R42 PolarHBondContact O-N 3.42Å; V39-L50 HydrophobicContact CG1-CD1 4.42Å; V39-Y65 HydrophobicContact CB-CD2 4.08Å; V39-Y65 HydrophobicContact CB-CE2 4.24Å; V39-Y65 HydrophobicContact CB-CG 4.31Å; V39-Y65 HydrophobicContact CG1-CD1 4.1Å; V39-Y65 HydrophobicContact CG1-CD2 4.16Å; V39-Y65 HydrophobicContact CG1-CG 3.88Å; V39-Y72 HydrophobicContact CB-CD1 4.41Å; V39-Y72 HydrophobicContact CG2-CD1 3.96Å; V39-Y72 HydrophobicContact CG2-CE1 4.4Å; V39-Y72 HydrophobicContact CG2-CG 4.15Å; V39-V74 HydrophobicContact CG1-CG2 4.47Å
40S89.8Confident90.1Very high37 Ų3771.6 Ų71.626%0.25935%0.347SS..Hα-helixtrans-69.9-24.4-172.357.20000114.9F36 R42F36-S40 WeakPolarHBondContact O-CB 3.26Å; F36-S40 PolarHBondContact O-N 3.47Å; F36-S40 PolarHBondContact O-OG 3.13Å; S40-R42 VanDerWaalsContact C-N 3.31Å
41K86.3Confident89.8Confident152 Ų15273.6 Ų73.666%0.66136%0.356SS*.THydrogen-bonded Turntrans-86.7-2.2-179.7-70.2-178.2168.3-175.80113.7H37 V39H37-K41 WeakPolarHBondContact CE1-CE 3.41Å; H37-K41 PolarHBondContact CE1-NZ 3.39Å; H37-K41 VanDerWaalsContact NE2-CE 3.32Å; H37-K41 WeakPolarHBondContact NE2-CE 3.19Å; H37-K41 PolarHBondContact NE2-NZ 2.99Å; V39-K41 VanDerWaalsContact C-N 3.33Å; V39-K41 PolarHBondContact O-N 3.07Å
42R87.2Confident88.8Confident83 Ų8374.1 Ų74.131%0.31336%0.362SS..SBendtrans-88.5142.3-172.6-68.6179.167.692.9-6.8110.8L38 V39 S40 V46 C47 Y65L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.28Å; L38-R42 WeakPolarHBondContact O-CG 3.49Å; V39-R42 WeakPolarHBondContact O-CB 3.33Å; V39-R42 PolarHBondContact O-N 3.42Å; S40-R42 VanDerWaalsContact C-N 3.31Å; R42-V46 HydrophobicContact CB-CG2 4Å; R42-V46 VanDerWaalsContact NH2-CG2 3.28Å; R42-C47 PolarHBondContact NH2-O 3.24Å; R42-C47 PolarHBondContact NH2-SG 3.24Å; R42-Y65 PolarHBondContact NE-OH 3.44Å
43D86Confident87.7Confident98 Ų9873.5 Ų73.552%0.52436%0.36SS..  trans-69.9154.1172.6-168.3-79000110.2N45 V46D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 WeakPolarHBondContact OD1-CB 3.4Å; D43-N45 PolarHBondContact OD1-N 3.46Å; D43-N45 PolarHBondContact OD1-ND2 2.93Å; D43-V46 HydrophobicContact CB-CG1 4.18Å; D43-V46 VanDerWaalsContact O-CG2 3.22Å; D43-V46 WeakPolarHBondContact O-CG2 3.41Å
44E81.8Confident86.5Confident170 Ų17073.4 Ų73.479%0.79437%0.369SS*.THydrogen-bonded Turntrans-68.5-20-179.1-63.9179.117800113
45N84.5Confident85.5Confident150 Ų15073.9 Ų73.980%0.80237%0.373SS*.THydrogen-bonded Turntrans-892.8-176.2-60.1-68.7000114.5D43D43-N45 PolarHBondContact O-N 3.25Å; D43-N45 WeakPolarHBondContact OD1-CB 3.4Å; D43-N45 PolarHBondContact OD1-N 3.46Å; D43-N45 PolarHBondContact OD1-ND2 2.93Å
46V89.8Confident84.5Confident58 Ų5873.9 Ų73.935%0.35237%0.372SS..SBendtrans-92.2170.2-179.2-52.70000111.9R42 D43R42-V46 HydrophobicContact CB-CG2 4Å; R42-V46 VanDerWaalsContact NH2-CG2 3.28Å; D43-V46 HydrophobicContact CB-CG1 4.18Å; D43-V46 VanDerWaalsContact O-CG2 3.22Å; D43-V46 WeakPolarHBondContact O-CG2 3.41Å
47C88.3Confident83Confident72 Ų7273.8 Ų73.849%0.48638%0.384SS..  trans-62.9146.2177.161.60000112.7R42 F49R42-C47 PolarHBondContact NH2-O 3.24Å; R42-C47 PolarHBondContact NH2-SG 3.24Å; C47-F49 PolarHBondContact O-N 2.92Å; C47-F49 PolarHBondContact SG-O 3.12Å
48N90.9Very high82.3Confident48 Ų4869.9 Ų69.926%0.25737%0.37SS..SBendtrans-78.86.2176.6-68.9-28.1000113.8I64 Y65 L87N48-I64 WeakPolarHBondContact O-CA 3.46Å; N48-Y65 VanDerWaalsContact CB-O 3.31Å; N48-Y65 WeakPolarHBondContact CB-O 3.29Å; N48-Y65 WeakPolarHBondContact O-CD1 3.36Å; N48-Y65 PolarHBondContact O-N 2.84Å; N48-L87 HydrophobicContact CB-CD1 4.07Å; N48-L87 HydrophobicContact CB-CD2 4.37Å
49F92.7Very high81.5Confident64 Ų6470.9 Ų70.928%0.28138%0.382SS..EExtended strand (participates in β ladder)trans-119.8129.9-174.4-44.6-48.6000109.3C47 L63 I64 E83 L84 L87C47-F49 PolarHBondContact O-N 2.92Å; C47-F49 PolarHBondContact SG-O 3.12Å; F49-L63 WeakPolarHBondContact CA-O 3.43Å; F49-I64 HydrophobicContact CD1-CB 4.44Å; F49-I64 HydrophobicContact CD1-CG1 3.94Å; F49-I64 HydrophobicContact CD1-CG2 4.05Å; F49-I64 HydrophobicContact CE1-CG1 4.38Å; F49-I64 HydrophobicContact CE1-CG2 4.02Å; F49-E83 HydrophobicContact CD1-CB 3.54Å; F49-E83 HydrophobicContact CD1-CG 4.25Å; F49-E83 HydrophobicContact CD2-CB 4.4Å; F49-E83 HydrophobicContact CE1-CB 3.46Å; F49-E83 VanDerWaalsContact CE1-CB 3.46Å; F49-E83 HydrophobicContact CE2-CB 4.35Å; F49-E83 HydrophobicContact CG-CB 4.02Å; F49-E83 HydrophobicContact CG-CG 4.38Å; F49-E83 HydrophobicContact CZ-CB 3.89Å; F49-L84 HydrophobicContact CE2-CD2 4.44Å; F49-L84 HydrophobicContact CZ-CD2 3.84Å; F49-L84 HydrophobicContact CZ-CG 4.31Å; F49-L87 HydrophobicContact CE1-CB 4.29Å; F49-L87 HydrophobicContact CE1-CD2 4.17Å; F49-L87 HydrophobicContact CZ-CD2 4.16Å
50L90.1Very high81Confident21 Ų2176.5 Ų76.511%0.1141%0.409CS..EExtended strand (participates in β ladder)trans-128.6154.9173.1-53.281.2000109.8L38 V39 R62 L63 Y65L38-L50 HydrophobicContact CB-CD2 4.04Å; V39-L50 HydrophobicContact CG1-CD1 4.42Å; L50-R62 CarbonylContact O-C 3.5Å; L50-R62 VanDerWaalsContact O-CA 3.28Å; L50-R62 WeakPolarHBondContact O-CA 3.03Å; L50-L63 HydrophobicContact CB-CB 4.25Å; L50-L63 HydrophobicContact CD1-CB 4.41Å; L50-L63 PolarHBondContact N-O 3.43Å; L50-L63 PolarHBondContact O-N 3.23Å; L50-Y65 HydrophobicContact CD1-CD1 3.29Å; L50-Y65 HydrophobicContact CD1-CE1 3.28Å; L50-Y65 HydrophobicContact CD1-CG 4.48Å
51E84.6Confident80.9Confident148 Ų14874.8 Ų74.869%0.69240%0.397SS*.EExtended strand (participates in β ladder)trans-65.9145.9160.7-69.4178.6176.500109.9
52G72.3Confident81.1Confident11 Ų1172.5 Ų72.511%0.11338%0.384CS..PPolyproline II helixtrans-59143.6179.200000112.1N61G52-N61 WeakPolarHBondContact CA-O 3.21Å; G52-N61 PolarHBondContact N-O 3.47Å
53G69.6Low81.4Confident5 Ų568.6 Ų68.65%0.05237%0.369CS..PPolyproline II helixtrans-57.8160.1166.500000111.4E34 L55 I56 G58E34-G53 VanDerWaalsContact OE1-CA 3.29Å; E34-G53 WeakPolarHBondContact OE1-CA 3.45Å; G53-L55 PolarHBondContact O-N 3.26Å; G53-L55 VanDerWaalsContact O-N 3.12Å; G53-I56 PolarHBondContact O-N 3.41Å; G53-G58 WeakPolarHBondContact O-CA 3.28Å; G53-G58 PolarHBondContact O-N 3.13Å
54M69.9Low81.9Confident171 Ų17163.9 Ų63.984%0.84234%0.344SS*.G310 helixtrans-58.2-32.1-177.2-69.4-173.363.700111.9E34E34-M54 PolarHBondContact OE1-N 2.97Å
55L69.9Low82.6Confident57 Ų5756.4 Ų56.430%0.29831%0.309SS..G310 helixtrans-81.6-22.8-174.7-58.5170.2000113.7Q30 I31 E34 G53 G57Q30-L55 HydrophobicContact CB-CD1 3.82Å; Q30-L55 HydrophobicContact CG-CD1 3.33Å; I31-L55 HydrophobicContact CG1-CB 3.76Å; E34-L55 HydrophobicContact CB-CD1 4.37Å; E34-L55 VanDerWaalsContact OE2-CB 3.23Å; E34-L55 WeakPolarHBondContact OE2-CB 3.15Å; E34-L55 VanDerWaalsContact OE2-CD1 3.3Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.22Å; E34-L55 WeakPolarHBondContact OE2-CG 3.48Å; E34-L55 PolarHBondContact OE2-N 2.97Å; G53-L55 PolarHBondContact O-N 3.26Å; G53-L55 VanDerWaalsContact O-N 3.12Å; L55-G57 VanDerWaalsContact C-N 3.29Å
56I72.1Confident83.1Confident1 Ų152.4 Ų52.41%0.00528%0.282CS..G310 helixtrans-97.527.2177.7-159.1144.6000112A4 I31 G53 N61 L63 C76A4-I56 HydrophobicContact CB-CD1 4.28Å; I31-I56 HydrophobicContact CG2-CB 4.47Å; I31-I56 HydrophobicContact CG2-CD1 3.78Å; G53-I56 PolarHBondContact O-N 3.41Å; I56-N61 WeakPolarHBondContact O-CB 3.46Å; I56-N61 VanDerWaalsContact O-CG 3.27Å; I56-N61 PolarHBondContact O-ND2 3.14Å; I56-L63 HydrophobicContact CG2-CD2 4.37Å; I56-C76 HydrophobicContact CD1-CB 3.37Å; I56-C76 WeakPolarHBondContact CD1-SG 3.39Å; I56-C76 HydrophobicContact CG1-CB 4.14Å
57G63.7Low83.3Confident41 Ų4152.6 Ų52.642%0.42328%0.279SS..THydrogen-bonded Turntrans87.920.5176.100000115.5L55 E60 N61L55-G57 VanDerWaalsContact C-N 3.29Å; G57-E60 PolarHBondContact O-N 2.89Å; G57-N61 VanDerWaalsContact CA-ND2 3.31Å; G57-N61 WeakPolarHBondContact CA-ND2 3.28Å; G57-N61 PolarHBondContact O-ND2 3.35Å
58G75.9Confident83.6Confident19 Ų1951.6 Ų51.620%0.19627%0.266CS..G310 helixtrans60.7-137.5165.900000114.6G53 E60 N61G53-G58 WeakPolarHBondContact O-CA 3.28Å; G53-G58 PolarHBondContact O-N 3.13Å; G58-E60 PolarHBondContact O-N 3.4Å; G58-E60 VanDerWaalsContact O-N 3.16Å; G58-N61 PolarHBondContact O-N 2.95Å
59S73.5Confident83.6Confident81 Ų8153.6 Ų53.657%0.56629%0.289SS*.G310 helixtrans-61.7-20.8-175.9550000114.6N61S59-N61 VanDerWaalsContact C-N 3.25Å; S59-N61 PolarHBondContact O-N 3.45Å
60E81.8Confident83.5Confident119 Ų11953.4 Ų53.456%0.55629%0.293SS*.G310 helixtrans-77.8-15.4-178.3-54.8-56.7102.600112G57 G58 S79G57-E60 PolarHBondContact O-N 2.89Å; G58-E60 PolarHBondContact O-N 3.4Å; G58-E60 VanDerWaalsContact O-N 3.16Å; E60-S79 WeakPolarHBondContact O-CB 3.31Å; E60-S79 PolarHBondContact O-N 3.37Å
61N87.3Confident83.8Confident2 Ų252.9 Ų52.91%0.01129%0.291CS..EExtended strand (participates in β ladder)trans-117154.7180-59.7-60.8000111K3 G52 I56 G57 G58 S59 V77 D78K3-N61 WeakPolarHBondContact CD-OD1 3.32Å; K3-N61 WeakPolarHBondContact CE-OD1 2.91Å; K3-N61 VanDerWaalsContact NZ-CG 3.28Å; K3-N61 PolarHBondContact NZ-ND2 2.95Å; K3-N61 PolarHBondContact NZ-OD1 2.88Å; G52-N61 WeakPolarHBondContact CA-O 3.21Å; G52-N61 PolarHBondContact N-O 3.47Å; I56-N61 WeakPolarHBondContact O-CB 3.46Å; I56-N61 VanDerWaalsContact O-CG 3.27Å; I56-N61 PolarHBondContact O-ND2 3.14Å; G57-N61 VanDerWaalsContact CA-ND2 3.31Å; G57-N61 WeakPolarHBondContact CA-ND2 3.28Å; G57-N61 PolarHBondContact O-ND2 3.35Å; G58-N61 PolarHBondContact O-N 2.95Å; S59-N61 VanDerWaalsContact C-N 3.25Å; S59-N61 PolarHBondContact O-N 3.45Å; N61-V77 CarbonylContact C-O 3.57Å; N61-V77 VanDerWaalsContact CA-O 3.29Å; N61-V77 WeakPolarHBondContact CA-O 3.38Å; N61-V77 WeakPolarHBondContact CB-O 3.35Å; N61-D78 WeakPolarHBondContact OD1-CA 3.49Å
62R91.8Very high84.4Confident104 Ų10447.1 Ų47.139%0.39226%0.263SS..EExtended strand (participates in β ladder)trans-122.3142.6178.2-62-172.6-177.4-156.31.6109.7L50 I64 V77 E83L50-R62 CarbonylContact O-C 3.5Å; L50-R62 VanDerWaalsContact O-CA 3.28Å; L50-R62 WeakPolarHBondContact O-CA 3.03Å; R62-I64 HydrophobicContact CB-CD1 3.92Å; R62-V77 HydrophobicContact CB-CG2 4.3Å; R62-V77 PolarHBondContact N-O 2.61Å; R62-V77 PolarHBondContact O-N 2.9Å; R62-E83 WeakPolarHBondContact CD-OE1 3.45Å; R62-E83 IonicContact CZ-OE1 3.16Å; R62-E83 IonicContact NE-OE1 3.35Å; R62-E83 PolarHBondContact NE-OE1 2.86Å; R62-E83 IonicContact NH1-OE1 2.56Å; R62-E83 PolarHBondContact NH1-OE1 3.38Å
63L93.5Very high85.6Confident0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-101.7118.6170.1-60.4174.3000108T35 L38 F49 L50 I56 V74 C76T35-L63 HydrophobicContact CG2-CD1 4.26Å; T35-L63 HydrophobicContact CG2-CD2 4.38Å; L38-L63 HydrophobicContact CD1-CD1 3.86Å; F49-L63 WeakPolarHBondContact CA-O 3.43Å; L50-L63 HydrophobicContact CB-CB 4.25Å; L50-L63 HydrophobicContact CD1-CB 4.41Å; L50-L63 PolarHBondContact N-O 3.43Å; L50-L63 PolarHBondContact O-N 3.23Å; I56-L63 HydrophobicContact CG2-CD2 4.37Å; L63-V74 HydrophobicContact CB-CG1 4.41Å; L63-V74 HydrophobicContact CD2-CG1 4.3Å; L63-C76 HydrophobicContact CD2-CB 3.9Å; L63-C76 WeakPolarHBondContact CD2-SG 3.32Å
64I95.6Very high86.9Confident0 Ų046.8 Ų46.80%026%0.256CS..EExtended strand (participates in β ladder)trans-107.7123.2173.6-61.172000105.9N48 F49 R62 V74 F75 V77 E83 I86 L87 I90N48-I64 WeakPolarHBondContact O-CA 3.46Å; F49-I64 HydrophobicContact CD1-CB 4.44Å; F49-I64 HydrophobicContact CD1-CG1 3.94Å; F49-I64 HydrophobicContact CD1-CG2 4.05Å; F49-I64 HydrophobicContact CE1-CG1 4.38Å; F49-I64 HydrophobicContact CE1-CG2 4.02Å; R62-I64 HydrophobicContact CB-CD1 3.92Å; I64-V74 WeakPolarHBondContact O-CA 3.29Å; I64-F75 PolarHBondContact N-O 2.84Å; I64-F75 PolarHBondContact O-N 3.11Å; I64-V77 HydrophobicContact CD1-CB 4.44Å; I64-V77 HydrophobicContact CD1-CG1 4.41Å; I64-V77 HydrophobicContact CD1-CG2 3.28Å; I64-E83 HydrophobicContact CD1-CB 4.5Å; I64-E83 HydrophobicContact CD1-CG 4.34Å; I64-E83 HydrophobicContact CG1-CB 3.93Å; I64-E83 HydrophobicContact CG1-CG 4.26Å; I64-I86 HydrophobicContact CB-CB 4.41Å; I64-I86 HydrophobicContact CB-CG2 3.81Å; I64-I86 HydrophobicContact CD1-CG2 4.4Å; I64-I86 HydrophobicContact CG1-CB 4.23Å; I64-I86 HydrophobicContact CG1-CG2 4.08Å; I64-I86 HydrophobicContact CG2-CB 4.39Å; I64-I86 HydrophobicContact CG2-CG2 4.01Å; I64-L87 HydrophobicContact CG2-CB 3.99Å; I64-L87 HydrophobicContact CG2-CD1 4.04Å; I64-I90 HydrophobicContact CG2-CD1 3.97Å
65Y96Very high88.1Confident13 Ų1338.7 Ų38.75%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-134.3158.4-178.180.7-72.7000113.1V39 R42 N48 L50 Y72 F73V39-Y65 HydrophobicContact CB-CD2 4.08Å; V39-Y65 HydrophobicContact CB-CE2 4.24Å; V39-Y65 HydrophobicContact CB-CG 4.31Å; V39-Y65 HydrophobicContact CG1-CD1 4.1Å; V39-Y65 HydrophobicContact CG1-CD2 4.16Å; V39-Y65 HydrophobicContact CG1-CG 3.88Å; R42-Y65 PolarHBondContact NE-OH 3.44Å; N48-Y65 VanDerWaalsContact CB-O 3.31Å; N48-Y65 WeakPolarHBondContact CB-O 3.29Å; N48-Y65 WeakPolarHBondContact O-CD1 3.36Å; N48-Y65 PolarHBondContact O-N 2.84Å; L50-Y65 HydrophobicContact CD1-CD1 3.29Å; L50-Y65 HydrophobicContact CD1-CE1 3.28Å; L50-Y65 HydrophobicContact CD1-CG 4.48Å; Y65-Y72 HydrophobicContact CD2-CD1 4.2Å; Y65-F73 CarbonylContact C-O 3.52Å; Y65-F73 WeakPolarHBondContact CA-O 3.46Å; Y65-F73 WeakPolarHBondContact CB-O 3.41Å
66R95.6Very high89.3Confident65 Ų6536 Ų3625%0.24520%0.203CC..EExtended strand (participates in β ladder)trans-144.7142.6166-171.5173.2-88.2171.1-1.2109.9Y68 F73 L87 I90R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.72Å; R66-Y68 VanDerWaalsContact CD-CE2 3.45Å; R66-Y68 WeakPolarHBondContact CD-OH 3.32Å; R66-Y68 HydrophobicContact CG-CD2 4.09Å; R66-Y68 HydrophobicContact CG-CE2 3.53Å; R66-Y68 PolarHBondContact NH1-OH 3.09Å; R66-F73 PolarHBondContact N-O 3Å; R66-F73 PolarHBondContact O-N 3.14Å; R66-L87 HydrophobicContact CB-CD1 4.34Å; R66-I90 HydrophobicContact CB-CG2 4.12Å
67H94.3Very high90.4Very high62 Ų6236 Ų3629%0.28720%0.203SC..EExtended strand (participates in β ladder)trans-99.4123178.3-172.8-129.1000109.7N10 A69 L71 Y72N10-H67 PolarHBondContact OD1-NE2 3.15Å; H67-A69 PolarHBondContact CE1-O 3.35Å; H67-A69 PolarHBondContact NE2-O 3.45Å; H67-L71 PolarHBondContact CD2-O 3.11Å; H67-Y72 HydrophobicContact CB-CD1 4.01Å; H67-Y72 HydrophobicContact CB-CE1 3.93Å; H67-Y72 AromaticContact CD2-CD1 3.59Å; H67-Y72 AromaticContact CD2-CD2 3.88Å; H67-Y72 AromaticContact CD2-CE1 3.4Å; H67-Y72 VanDerWaalsContact CD2-CE1 3.4Å; H67-Y72 WeakPolarHBondContact CD2-CE1 3.38Å; H67-Y72 AromaticContact CD2-CE2 3.71Å; H67-Y72 AromaticContact CD2-CG 3.82Å; H67-Y72 AromaticContact CD2-CZ 3.46Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.46Å; H67-Y72 AromaticContact CG-CE1 3.73Å; H67-Y72 AromaticContact NE2-CE2 3.79Å; H67-Y72 AromaticContact NE2-CZ 3.66Å
68Y93.7Very high91.7Very high51 Ų5135.9 Ų35.920%0.219%0.192CC..EExtended strand (participates in β ladder)trans-122.2110.7176.7-67-89.4000108.6R66 T70 L71 F73 I90 Q91 V94R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.72Å; R66-Y68 VanDerWaalsContact CD-CE2 3.45Å; R66-Y68 WeakPolarHBondContact CD-OH 3.32Å; R66-Y68 HydrophobicContact CG-CD2 4.09Å; R66-Y68 HydrophobicContact CG-CE2 3.53Å; R66-Y68 PolarHBondContact NH1-OH 3.09Å; Y68-T70 PolarHBondContact O-N 3.46Å; Y68-L71 PolarHBondContact N-O 2.84Å; Y68-L71 PolarHBondContact O-N 3.48Å; Y68-F73 AromaticContact CD2-CD2 3.6Å; Y68-F73 HydrophobicContact CD2-CD2 3.6Å; Y68-F73 HydrophobicContact CD2-CE2 4.05Å; Y68-F73 HydrophobicContact CD2-CG 4.25Å; Y68-F73 HydrophobicContact CE2-CD2 4.29Å; Y68-F73 HydrophobicContact CG-CD2 4.46Å; Y68-I90 HydrophobicContact CE2-CG2 3.85Å; Y68-Q91 PolarHBondContact OH-OE1 2.9Å; Y68-V94 HydrophobicContact CD1-CG1 4.01Å; Y68-V94 HydrophobicContact CD2-CG2 3.89Å; Y68-V94 HydrophobicContact CE1-CB 4.34Å; Y68-V94 HydrophobicContact CE1-CG1 3.94Å; Y68-V94 HydrophobicContact CE1-CG2 4.43Å; Y68-V94 HydrophobicContact CE2-CB 4.32Å; Y68-V94 HydrophobicContact CE2-CG2 3.58Å; Y68-V94 HydrophobicContact CG-CG1 4.3Å; Y68-V94 HydrophobicContact CG-CG2 4.41Å
69A91.3Very high92.3Very high91 Ų9137.8 Ų37.875%0.75220%0.203SC*.THydrogen-bonded Turntrans51.2-96.8-178.100000113.5H67H67-A69 PolarHBondContact CE1-O 3.35Å; H67-A69 PolarHBondContact NE2-O 3.45Å
70T91.9Very high93.1Very high59 Ų5938.5 Ų38.536%0.36221%0.207SC..THydrogen-bonded Turntrans-107.92.8-179630000114N9 N10 Y68 E106N9-T70 CarbonylContact C-O 3.53Å; N9-T70 WeakPolarHBondContact CA-O 3.31Å; N10-T70 PolarHBondContact N-O 2.75Å; N10-T70 VanDerWaalsContact N-O 3.07Å; N10-T70 PolarHBondContact OD1-O 3Å; N10-T70 VanDerWaalsContact OD1-O 3.14Å; Y68-T70 PolarHBondContact O-N 3.46Å; T70-E106 PolarHBondContact OG1-OE2 2.83Å
71L95.9Very high93.6Very high11 Ų1136 Ų366%0.05820%0.196CC..EExtended strand (participates in β ladder)trans-121.6135.1-171.5-64.2177.8000112.1I7 N9 R15 H67 Y68 F73 E106 L109I7-L71 HydrophobicContact CG2-CB 4.24Å; I7-L71 HydrophobicContact CG2-CD1 4.26Å; I7-L71 HydrophobicContact CG2-CD2 4.21Å; I7-L71 HydrophobicContact CG2-CG 4.49Å; N9-L71 HydrophobicContact CB-CD2 4Å; R15-L71 HydrophobicContact CG-CD2 3.85Å; H67-L71 PolarHBondContact CD2-O 3.11Å; Y68-L71 PolarHBondContact N-O 2.84Å; Y68-L71 PolarHBondContact O-N 3.48Å; L71-F73 HydrophobicContact CB-CD2 4.26Å; L71-F73 HydrophobicContact CB-CE2 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.18Å; L71-F73 HydrophobicContact CD1-CZ 4.44Å; L71-E106 HydrophobicContact CD1-CB 4.23Å; L71-E106 HydrophobicContact CD2-CB 4.21Å; L71-E106 HydrophobicContact CD2-CG 3.91Å; L71-E106 HydrophobicContact CG-CB 4.29Å; L71-L109 HydrophobicContact CD1-CD2 3.76Å
72Y96.3Very high94Very high27 Ų2739.3 Ų39.311%0.10622%0.219CC..EExtended strand (participates in β ladder)trans-96123.6166.4-65.5-86.4000108.8I7 F8 N10 F36 V39 Y65 H67I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.46Å; F8-Y72 AromaticContact CD2-CD2 3.94Å; F8-Y72 HydrophobicContact CD2-CD2 3.94Å; F8-Y72 HydrophobicContact CD2-CG 4.18Å; F8-Y72 AromaticContact CE2-CD2 3.86Å; F8-Y72 HydrophobicContact CE2-CD2 3.86Å; F8-Y72 AromaticContact CE2-CG 3.75Å; F8-Y72 HydrophobicContact CE2-CG 3.75Å; F8-Y72 PolarHBondContact N-O 3.27Å; F8-Y72 PolarHBondContact O-N 3.31Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.42Å; F36-Y72 HydrophobicContact CE2-CE2 4.46Å; V39-Y72 HydrophobicContact CB-CD1 4.41Å; V39-Y72 HydrophobicContact CG2-CD1 3.96Å; V39-Y72 HydrophobicContact CG2-CE1 4.4Å; V39-Y72 HydrophobicContact CG2-CG 4.15Å; Y65-Y72 HydrophobicContact CD2-CD1 4.2Å; H67-Y72 HydrophobicContact CB-CD1 4.01Å; H67-Y72 HydrophobicContact CB-CE1 3.93Å; H67-Y72 AromaticContact CD2-CD1 3.59Å; H67-Y72 AromaticContact CD2-CD2 3.88Å; H67-Y72 AromaticContact CD2-CE1 3.4Å; H67-Y72 VanDerWaalsContact CD2-CE1 3.4Å; H67-Y72 WeakPolarHBondContact CD2-CE1 3.38Å; H67-Y72 AromaticContact CD2-CE2 3.71Å; H67-Y72 AromaticContact CD2-CG 3.82Å; H67-Y72 AromaticContact CD2-CZ 3.46Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.46Å; H67-Y72 AromaticContact CG-CE1 3.73Å; H67-Y72 AromaticContact NE2-CE2 3.79Å; H67-Y72 AromaticContact NE2-CZ 3.66Å
73F97.6Very high94.1Very high8 Ų836.2 Ų36.24%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-99.1119.9170.1-73.7-108.1000107.4I7 Y65 R66 Y68 L71 I90 F93 V94 L97I7-F73 HydrophobicContact CD1-CD1 3.75Å; I7-F73 HydrophobicContact CD1-CE1 3.35Å; I7-F73 HydrophobicContact CD1-CZ 3.98Å; I7-F73 HydrophobicContact CG1-CD1 3.77Å; I7-F73 HydrophobicContact CG1-CE1 3.88Å; I7-F73 HydrophobicContact CG1-CG 4.32Å; I7-F73 HydrophobicContact CG1-CZ 4.49Å; I7-F73 HydrophobicContact CG2-CD2 4.5Å; I7-F73 HydrophobicContact CG2-CE1 4.48Å; I7-F73 HydrophobicContact CG2-CE2 4.3Å; I7-F73 HydrophobicContact CG2-CZ 4.28Å; Y65-F73 CarbonylContact C-O 3.52Å; Y65-F73 WeakPolarHBondContact CA-O 3.46Å; Y65-F73 WeakPolarHBondContact CB-O 3.41Å; R66-F73 PolarHBondContact N-O 3Å; R66-F73 PolarHBondContact O-N 3.14Å; Y68-F73 AromaticContact CD2-CD2 3.6Å; Y68-F73 HydrophobicContact CD2-CD2 3.6Å; Y68-F73 HydrophobicContact CD2-CE2 4.05Å; Y68-F73 HydrophobicContact CD2-CG 4.25Å; Y68-F73 HydrophobicContact CE2-CD2 4.29Å; Y68-F73 HydrophobicContact CG-CD2 4.46Å; L71-F73 HydrophobicContact CB-CD2 4.26Å; L71-F73 HydrophobicContact CB-CE2 3.79Å; L71-F73 HydrophobicContact CD1-CE2 4.18Å; L71-F73 HydrophobicContact CD1-CZ 4.44Å; F73-I90 HydrophobicContact CB-CG2 3.83Å; F73-I90 HydrophobicContact CG-CG2 4.5Å; F73-F93 HydrophobicContact CD1-CD1 4.06Å; F73-F93 HydrophobicContact CD1-CE1 4.24Å; F73-F93 HydrophobicContact CE1-CD1 4.11Å; F73-F93 HydrophobicContact CE1-CE1 4.1Å; F73-V94 HydrophobicContact CD1-CG2 3.75Å; F73-V94 HydrophobicContact CD2-CG2 4.15Å; F73-V94 HydrophobicContact CE1-CG2 3.54Å; F73-V94 HydrophobicContact CE2-CG2 3.95Å; F73-V94 HydrophobicContact CG-CG2 4.05Å; F73-V94 HydrophobicContact CZ-CG2 3.65Å; F73-L97 HydrophobicContact CE1-CD1 3.96Å; F73-L97 HydrophobicContact CZ-CD1 4.27Å
74V96.8Very high94.2Very high0 Ų041.9 Ų41.90%024%0.239CC..EExtended strand (participates in β ladder)trans-130.5126.3-174.4-167.80000110.6L6 F8 T35 V39 L63 I64L6-V74 HydrophobicContact CB-CB 4.45Å; L6-V74 PolarHBondContact N-O 3.08Å; L6-V74 PolarHBondContact O-N 3.16Å; F8-V74 HydrophobicContact CE1-CB 4.44Å; F8-V74 HydrophobicContact CE1-CG2 3.78Å; F8-V74 HydrophobicContact CE2-CG2 4.36Å; F8-V74 HydrophobicContact CZ-CG2 3.49Å; F8-V74 VanDerWaalsContact CZ-CG2 3.49Å; T35-V74 HydrophobicContact CG2-CB 4.27Å; T35-V74 HydrophobicContact CG2-CG1 3.71Å; T35-V74 HydrophobicContact CG2-CG2 4.33Å; V39-V74 HydrophobicContact CG1-CG2 4.47Å; L63-V74 HydrophobicContact CB-CG1 4.41Å; L63-V74 HydrophobicContact CD2-CG1 4.3Å; I64-V74 WeakPolarHBondContact O-CA 3.29Å
75F96.7Very high94.2Very high2 Ų243.8 Ų43.81%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-112124.5174.8-79.651.1000107.9I2 I5 I64 V77 I86 L89 I90 F93I2-F75 HydrophobicContact CD1-CD2 4.27Å; I2-F75 HydrophobicContact CD1-CE2 4.44Å; I2-F75 HydrophobicContact CG2-CD2 4.41Å; I5-F75 HydrophobicContact CB-CE1 4.46Å; I5-F75 HydrophobicContact CD1-CD2 3.96Å; I5-F75 HydrophobicContact CD1-CE1 4.4Å; I5-F75 HydrophobicContact CD1-CE2 3.42Å; I5-F75 VanDerWaalsContact CD1-CE2 3.42Å; I5-F75 HydrophobicContact CD1-CZ 3.68Å; I5-F75 HydrophobicContact CG1-CD1 4.26Å; I5-F75 HydrophobicContact CG1-CD2 3.8Å; I5-F75 HydrophobicContact CG1-CE1 4.2Å; I5-F75 HydrophobicContact CG1-CE2 3.74Å; I5-F75 HydrophobicContact CG1-CG 4.07Å; I5-F75 HydrophobicContact CG1-CZ 3.95Å; I5-F75 HydrophobicContact CG2-CD1 4.05Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CE2 4.5Å; I5-F75 HydrophobicContact CG2-CZ 3.83Å; I64-F75 PolarHBondContact N-O 2.84Å; I64-F75 PolarHBondContact O-N 3.11Å; F75-V77 HydrophobicContact CB-CG1 4.33Å; F75-I86 HydrophobicContact CB-CG2 3.46Å; F75-I86 VanDerWaalsContact CB-CG2 3.46Å; F75-I86 HydrophobicContact CD2-CG2 3.88Å; F75-I86 HydrophobicContact CG-CG2 3.91Å; F75-L89 HydrophobicContact CD2-CD2 4.35Å; F75-L89 HydrophobicContact CE2-CD2 3.75Å; F75-L89 HydrophobicContact CE2-CG 4.17Å; F75-I90 HydrophobicContact CB-CD1 4.37Å; F75-I90 HydrophobicContact CD1-CD1 3.79Å; F75-I90 HydrophobicContact CD1-CG1 3.42Å; F75-I90 VanDerWaalsContact CD1-CG1 3.42Å; F75-I90 HydrophobicContact CE1-CD1 4.4Å; F75-I90 HydrophobicContact CE1-CG1 3.55Å; F75-I90 HydrophobicContact CG-CD1 4.21Å; F75-I90 HydrophobicContact CG-CG1 3.98Å; F75-I90 HydrophobicContact CZ-CG1 4.18Å; F75-F93 HydrophobicContact CE1-CD1 4.43Å; F75-F93 HydrophobicContact CZ-CD1 4.34Å
76C94.8Very high94.2Very high0 Ų043.4 Ų43.40%026%0.258CS..EExtended strand (participates in β ladder)trans-99.8117.7176.2-48.50000107.4K3 A4 I56 L63K3-C76 PolarHBondContact N-O 3.23Å; A4-C76 HydrophobicContact CB-CB 4.09Å; A4-C76 PolarHBondContact N-O 3.36Å; A4-C76 PolarHBondContact O-N 3.21Å; I56-C76 HydrophobicContact CD1-CB 3.37Å; I56-C76 WeakPolarHBondContact CD1-SG 3.39Å; I56-C76 HydrophobicContact CG1-CB 4.14Å; L63-C76 HydrophobicContact CD2-CB 3.9Å; L63-C76 WeakPolarHBondContact CD2-SG 3.32Å
77V94.5Very high94.3Very high1 Ų141 Ų411%0.00625%0.25CC..EExtended strand (participates in β ladder)trans-132.4155.9-173-51.30000111M1 I2 N61 R62 I64 F75 E81 I86M1-V77 WeakPolarHBondContact O-CA 3.47Å; I2-V77 HydrophobicContact CB-CG1 4.4Å; I2-V77 HydrophobicContact CG1-CG1 3.9Å; I2-V77 HydrophobicContact CG2-CG1 4.5Å; N61-V77 CarbonylContact C-O 3.57Å; N61-V77 VanDerWaalsContact CA-O 3.29Å; N61-V77 WeakPolarHBondContact CA-O 3.38Å; N61-V77 WeakPolarHBondContact CB-O 3.35Å; R62-V77 HydrophobicContact CB-CG2 4.3Å; R62-V77 PolarHBondContact N-O 2.61Å; R62-V77 PolarHBondContact O-N 2.9Å; I64-V77 HydrophobicContact CD1-CB 4.44Å; I64-V77 HydrophobicContact CD1-CG1 4.41Å; I64-V77 HydrophobicContact CD1-CG2 3.28Å; F75-V77 HydrophobicContact CB-CG1 4.33Å; V77-E81 HydrophobicContact CB-CB 4.11Å; V77-E81 HydrophobicContact CB-CG 4.06Å; V77-E81 HydrophobicContact CG2-CB 4.03Å; V77-I86 HydrophobicContact CG1-CD1 3.96Å; V77-I86 HydrophobicContact CG1-CG1 3.92Å; V77-I86 HydrophobicContact CG1-CG2 4.1Å; V77-I86 HydrophobicContact CG2-CG1 4.49Å
78D91.8Very high94.4Very high39 Ų3943.2 Ų43.221%0.20926%0.263CS..EExtended strand (participates in β ladder)trans-71.3154.6169.318027.8000111.4M1 N61 S80 E81M1-D78 PolarHBondContact O-N 2.92Å; N61-D78 WeakPolarHBondContact OD1-CA 3.49Å; D78-S80 PolarHBondContact O-N 2.83Å; D78-S80 PolarHBondContact OD2-OG 3.32Å; D78-E81 PolarHBondContact O-N 2.82Å
79S88.8Confident94.5Very high59 Ų5941.2 Ų41.241%0.41326%0.256SS..THydrogen-bonded Turntrans-51-18.717360.90000115.4E60 E81E60-S79 WeakPolarHBondContact O-CB 3.31Å; E60-S79 PolarHBondContact O-N 3.37Å; S79-E81 VanDerWaalsContact C-N 3.33Å
80S89.5Confident94.8Very high95 Ų9536.9 Ų36.966%0.66422%0.22SC*.THydrogen-bonded Turntrans-74-18.3176.5-56.60000114D78D78-S80 PolarHBondContact O-N 2.83Å; D78-S80 PolarHBondContact OD2-OG 3.32Å
81E93.1Very high95.1Very high67 Ų6736.5 Ų36.531%0.31321%0.214SC..SBendtrans-89.1147.2-178.7-60.5-58.6152.500112.4M1 V77 D78 S79 E83 I86M1-E81 WeakPolarHBondContact CA-OE1 3.34Å; M1-E81 PolarHBondContact N-OE1 3.48Å; V77-E81 HydrophobicContact CB-CB 4.11Å; V77-E81 HydrophobicContact CB-CG 4.06Å; V77-E81 HydrophobicContact CG2-CB 4.03Å; D78-E81 PolarHBondContact O-N 2.82Å; S79-E81 VanDerWaalsContact C-N 3.33Å; E81-E83 PolarHBondContact O-N 2.89Å; E81-I86 HydrophobicContact CB-CD1 4.45Å; E81-I86 HydrophobicContact CB-CG1 4.24Å
82S94.4Very high95.1Very high71 Ų7136.9 Ų36.950%0.49722%0.217SC..  trans-75.2120.4172.9173.90000110.9L84 G85 I86S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 3.11Å; S82-G85 PolarHBondContact O-N 2.96Å; S82-G85 VanDerWaalsContact O-N 3.1Å; S82-G85 PolarHBondContact OG-N 3.3Å; S82-I86 WeakPolarHBondContact O-CG1 3.42Å; S82-I86 PolarHBondContact O-N 2.7Å
83E93.4Very high95.2Very high39 Ų3935.6 Ų35.618%0.18221%0.212CC..Hα-helixtrans-65.8-34.8-177-53.381178.100112.2F49 R62 I64 E81 I86 L87F49-E83 HydrophobicContact CD1-CB 3.54Å; F49-E83 HydrophobicContact CD1-CG 4.25Å; F49-E83 HydrophobicContact CD2-CB 4.4Å; F49-E83 HydrophobicContact CE1-CB 3.46Å; F49-E83 VanDerWaalsContact CE1-CB 3.46Å; F49-E83 HydrophobicContact CE2-CB 4.35Å; F49-E83 HydrophobicContact CG-CB 4.02Å; F49-E83 HydrophobicContact CG-CG 4.38Å; F49-E83 HydrophobicContact CZ-CB 3.89Å; R62-E83 WeakPolarHBondContact CD-OE1 3.45Å; R62-E83 IonicContact CZ-OE1 3.16Å; R62-E83 IonicContact NE-OE1 3.35Å; R62-E83 PolarHBondContact NE-OE1 2.86Å; R62-E83 IonicContact NH1-OE1 2.56Å; R62-E83 PolarHBondContact NH1-OE1 3.38Å; I64-E83 HydrophobicContact CD1-CB 4.5Å; I64-E83 HydrophobicContact CD1-CG 4.34Å; I64-E83 HydrophobicContact CG1-CB 3.93Å; I64-E83 HydrophobicContact CG1-CG 4.26Å; E81-E83 PolarHBondContact O-N 2.89Å; E83-I86 PolarHBondContact O-N 2.78Å; E83-L87 WeakPolarHBondContact O-CB 3.47Å; E83-L87 PolarHBondContact O-N 3.12Å
84L95.6Very high95.1Very high119 Ų11936.2 Ų36.262%0.62322%0.216SC*.Hα-helixtrans-67.6-37.4174.8-71.1172.7000111.6F49 S82 L87 D88F49-L84 HydrophobicContact CE2-CD2 4.44Å; F49-L84 HydrophobicContact CZ-CD2 3.84Å; F49-L84 HydrophobicContact CZ-CG 4.31Å; S82-L84 VanDerWaalsContact C-N 3.29Å; S82-L84 PolarHBondContact O-N 3.11Å; L84-L87 PolarHBondContact O-N 3.18Å; L84-D88 PolarHBondContact O-N 2.98Å
85G96Very high95.1Very high41 Ų4139.5 Ų39.542%0.42323%0.232SC..Hα-helixtrans-64.7-41175.300000112S82 D88 L89S82-G85 PolarHBondContact O-N 2.96Å; S82-G85 VanDerWaalsContact O-N 3.1Å; S82-G85 PolarHBondContact OG-N 3.3Å; G85-D88 PolarHBondContact O-N 2.98Å; G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 3.3Å
86I96.9Very high95.1Very high5 Ų539.4 Ų39.43%0.02623%0.231CC..Hα-helixtrans-68.1-37.8175.2-60.5-62.4000111.4I2 I64 F75 V77 E81 S82 E83 D88 L89 I90I2-I86 HydrophobicContact CD1-CD1 4.12Å; I2-I86 HydrophobicContact CG1-CD1 3.99Å; I64-I86 HydrophobicContact CB-CB 4.41Å; I64-I86 HydrophobicContact CB-CG2 3.81Å; I64-I86 HydrophobicContact CD1-CG2 4.4Å; I64-I86 HydrophobicContact CG1-CB 4.23Å; I64-I86 HydrophobicContact CG1-CG2 4.08Å; I64-I86 HydrophobicContact CG2-CB 4.39Å; I64-I86 HydrophobicContact CG2-CG2 4.01Å; F75-I86 HydrophobicContact CB-CG2 3.46Å; F75-I86 VanDerWaalsContact CB-CG2 3.46Å; F75-I86 HydrophobicContact CD2-CG2 3.88Å; F75-I86 HydrophobicContact CG-CG2 3.91Å; V77-I86 HydrophobicContact CG1-CD1 3.96Å; V77-I86 HydrophobicContact CG1-CG1 3.92Å; V77-I86 HydrophobicContact CG1-CG2 4.1Å; V77-I86 HydrophobicContact CG2-CG1 4.49Å; E81-I86 HydrophobicContact CB-CD1 4.45Å; E81-I86 HydrophobicContact CB-CG1 4.24Å; S82-I86 WeakPolarHBondContact O-CG1 3.42Å; S82-I86 PolarHBondContact O-N 2.7Å; E83-I86 PolarHBondContact O-N 2.78Å; I86-D88 VanDerWaalsContact C-N 3.3Å; I86-D88 PolarHBondContact O-N 2.99Å; I86-L89 HydrophobicContact CD1-CD2 4.5Å; I86-L89 WeakPolarHBondContact O-CB 3.34Å; I86-L89 PolarHBondContact O-N 3.3Å; I86-I90 WeakPolarHBondContact O-CG1 3.46Å; I86-I90 PolarHBondContact O-N 3.42Å
87L96.3Very high95.2Very high15 Ų1539.5 Ų39.58%0.07923%0.232CC..Hα-helixtrans-64.7-36.4176.3-171.865.3000112.1N48 F49 I64 R66 E83 L84 Q91N48-L87 HydrophobicContact CB-CD1 4.07Å; N48-L87 HydrophobicContact CB-CD2 4.37Å; F49-L87 HydrophobicContact CE1-CB 4.29Å; F49-L87 HydrophobicContact CE1-CD2 4.17Å; F49-L87 HydrophobicContact CZ-CD2 4.16Å; I64-L87 HydrophobicContact CG2-CB 3.99Å; I64-L87 HydrophobicContact CG2-CD1 4.04Å; R66-L87 HydrophobicContact CB-CD1 4.34Å; E83-L87 WeakPolarHBondContact O-CB 3.47Å; E83-L87 PolarHBondContact O-N 3.12Å; L84-L87 PolarHBondContact O-N 3.18Å; L87-Q91 PolarHBondContact O-N 3.4Å
88D96.8Very high95.3Very high107 Ų10742.6 Ų42.657%0.57225%0.248SC*.Hα-helixtrans-70.4-38.9173.2-161.545.2000111.5L84 G85 I86 I90 Q91 V92L84-D88 PolarHBondContact O-N 2.98Å; G85-D88 PolarHBondContact O-N 2.98Å; I86-D88 VanDerWaalsContact C-N 3.3Å; I86-D88 PolarHBondContact O-N 2.99Å; D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 2.94Å; D88-Q91 WeakPolarHBondContact O-CA 3.28Å; D88-Q91 VanDerWaalsContact O-CB 3.27Å; D88-Q91 WeakPolarHBondContact O-CB 3.38Å; D88-Q91 PolarHBondContact O-N 3.28Å; D88-V92 PolarHBondContact O-N 3.04Å
89L97.4Very high95.4Very high9 Ų945.6 Ų45.65%0.04726%0.259CS..Hα-helixtrans-60-38.8173.4-176.165.1000112.5I2 F75 G85 I86 Q91 V92 F93 M123 V124 V129 T132I2-L89 HydrophobicContact CD1-CD2 3.99Å; F75-L89 HydrophobicContact CD2-CD2 4.35Å; F75-L89 HydrophobicContact CE2-CD2 3.75Å; F75-L89 HydrophobicContact CE2-CG 4.17Å; G85-L89 WeakPolarHBondContact O-CB 3.44Å; G85-L89 PolarHBondContact O-N 3.3Å; I86-L89 HydrophobicContact CD1-CD2 4.5Å; I86-L89 WeakPolarHBondContact O-CB 3.34Å; I86-L89 PolarHBondContact O-N 3.3Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.23Å; L89-V92 PolarHBondContact O-N 2.85Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.15Å; L89-M123 HydrophobicContact CD1-CE 3.65Å; L89-M123 HydrophobicContact CG-CE 4.49Å; L89-V124 HydrophobicContact CD2-CG2 4.07Å; L89-V129 HydrophobicContact CD1-CG1 4.05Å; L89-V129 HydrophobicContact CD2-CG1 4.46Å; L89-V129 HydrophobicContact CD2-CG2 3.62Å; L89-T132 HydrophobicContact CD1-CG2 4.42Å
90I97.6Very high95.6Very high0 Ų043.8 Ų43.80%025%0.246CC..Hα-helixtrans-59.2-42.7172.4-70.4168.2000110.4I64 R66 Y68 F73 F75 I86 D88 F93 V94I64-I90 HydrophobicContact CG2-CD1 3.97Å; R66-I90 HydrophobicContact CB-CG2 4.12Å; Y68-I90 HydrophobicContact CE2-CG2 3.85Å; F73-I90 HydrophobicContact CB-CG2 3.83Å; F73-I90 HydrophobicContact CG-CG2 4.5Å; F75-I90 HydrophobicContact CB-CD1 4.37Å; F75-I90 HydrophobicContact CD1-CD1 3.79Å; F75-I90 HydrophobicContact CD1-CG1 3.42Å; F75-I90 VanDerWaalsContact CD1-CG1 3.42Å; F75-I90 HydrophobicContact CE1-CD1 4.4Å; F75-I90 HydrophobicContact CE1-CG1 3.55Å; F75-I90 HydrophobicContact CG-CD1 4.21Å; F75-I90 HydrophobicContact CG-CG1 3.98Å; F75-I90 HydrophobicContact CZ-CG1 4.18Å; I86-I90 WeakPolarHBondContact O-CG1 3.46Å; I86-I90 PolarHBondContact O-N 3.42Å; D88-I90 VanDerWaalsContact C-N 3.3Å; D88-I90 PolarHBondContact O-N 2.94Å; I90-F93 PolarHBondContact O-N 2.7Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 2.94Å
91Q96.6Very high95.8Very high52 Ų5240.8 Ų40.824%0.24322%0.221CC..Hα-helixtrans-62-50.2177.5-17666.62200111.1Y68 L87 D88 L89 F93 V94 E95Y68-Q91 PolarHBondContact OH-OE1 2.9Å; L87-Q91 PolarHBondContact O-N 3.4Å; D88-Q91 WeakPolarHBondContact O-CA 3.28Å; D88-Q91 VanDerWaalsContact O-CB 3.27Å; D88-Q91 WeakPolarHBondContact O-CB 3.38Å; D88-Q91 PolarHBondContact O-N 3.28Å; L89-Q91 VanDerWaalsContact C-N 3.29Å; L89-Q91 PolarHBondContact O-N 3.23Å; Q91-F93 PolarHBondContact O-N 3.43Å; Q91-V94 PolarHBondContact O-N 3.01Å; Q91-E95 HydrophobicContact CG-CG 4.44Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.49Å; Q91-E95 PolarHBondContact NE2-OE1 3.38Å; Q91-E95 WeakPolarHBondContact O-CG 3.29Å; Q91-E95 PolarHBondContact O-N 2.96Å
92V97.1Very high95.8Very high18 Ų1845.5 Ų45.511%0.10924%0.244CC..Hα-helixtrans-56.1-40.6177174.80000110.7D88 L89 T96 M123 T132 M134 I137D88-V92 PolarHBondContact O-N 3.04Å; L89-V92 PolarHBondContact O-N 2.85Å; V92-T96 VanDerWaalsContact O-CB 3.31Å; V92-T96 WeakPolarHBondContact O-CB 3.49Å; V92-T96 PolarHBondContact O-N 3.33Å; V92-T96 PolarHBondContact O-OG1 2.8Å; V92-M123 HydrophobicContact CB-CE 4.09Å; V92-M123 HydrophobicContact CG1-CE 3.65Å; V92-T132 VanDerWaalsContact CG1-O 3.32Å; V92-T132 WeakPolarHBondContact CG1-O 3.31Å; V92-M134 HydrophobicContact CG1-CG 3.92Å; V92-I137 HydrophobicContact CG1-CD1 4.44Å
93F97.6Very high95.6Very high1 Ų148.5 Ų48.50%0.00425%0.254CS..Hα-helixtrans-65.6-46.5-179.8-178.9-146.4000111.9I7 L16 F73 F75 L89 I90 Q91 T96 L97 V116 I119 L120 M123I7-F93 HydrophobicContact CD1-CE1 3.9Å; I7-F93 HydrophobicContact CD1-CZ 4.34Å; L16-F93 HydrophobicContact CD2-CE1 4.16Å; L16-F93 HydrophobicContact CD2-CZ 4Å; F73-F93 HydrophobicContact CD1-CD1 4.06Å; F73-F93 HydrophobicContact CD1-CE1 4.24Å; F73-F93 HydrophobicContact CE1-CD1 4.11Å; F73-F93 HydrophobicContact CE1-CE1 4.1Å; F75-F93 HydrophobicContact CE1-CD1 4.43Å; F75-F93 HydrophobicContact CZ-CD1 4.34Å; L89-F93 WeakPolarHBondContact O-CB 3.36Å; L89-F93 PolarHBondContact O-N 3.15Å; I90-F93 PolarHBondContact O-N 2.7Å; Q91-F93 PolarHBondContact O-N 3.43Å; F93-T96 PolarHBondContact O-N 3.41Å; F93-L97 HydrophobicContact CD2-CD1 4.11Å; F93-L97 HydrophobicContact CD2-CG 4.09Å; F93-L97 HydrophobicContact CE1-CD1 4.25Å; F93-L97 HydrophobicContact CE2-CD1 3.8Å; F93-L97 HydrophobicContact CE2-CD2 4.04Å; F93-L97 HydrophobicContact CE2-CG 3.85Å; F93-L97 HydrophobicContact CG-CD1 4.46Å; F93-L97 HydrophobicContact CZ-CD1 3.87Å; F93-L97 HydrophobicContact CZ-CG 4.4Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 2.66Å; F93-V116 HydrophobicContact CZ-CG1 4.33Å; F93-I119 HydrophobicContact CD2-CG2 4.31Å; F93-I119 HydrophobicContact CE2-CG2 4.07Å; F93-L120 HydrophobicContact CE1-CD1 4.35Å; F93-L120 HydrophobicContact CE2-CB 4.18Å; F93-L120 HydrophobicContact CE2-CD1 4.42Å; F93-L120 HydrophobicContact CZ-CB 4.1Å; F93-L120 HydrophobicContact CZ-CD1 4.19Å; F93-M123 HydrophobicContact CB-CE 3.78Å; F93-M123 HydrophobicContact CB-SD 3.86Å; F93-M123 HydrophobicContact CD2-SD 3.59Å; F93-M123 VanDerWaalsContact CD2-SD 3.59Å; F93-M123 HydrophobicContact CG-SD 4.09Å
94V96.6Very high95.6Very high20 Ų2048.5 Ų48.512%0.12126%0.257CS..Hα-helixtrans-65.2-42.3178.2174.20000111.7Y68 F73 I90 Q91 T96 L97 D98Y68-V94 HydrophobicContact CD1-CG1 4.01Å; Y68-V94 HydrophobicContact CD2-CG2 3.89Å; Y68-V94 HydrophobicContact CE1-CB 4.34Å; Y68-V94 HydrophobicContact CE1-CG1 3.94Å; Y68-V94 HydrophobicContact CE1-CG2 4.43Å; Y68-V94 HydrophobicContact CE2-CB 4.32Å; Y68-V94 HydrophobicContact CE2-CG2 3.58Å; Y68-V94 HydrophobicContact CG-CG1 4.3Å; Y68-V94 HydrophobicContact CG-CG2 4.41Å; F73-V94 HydrophobicContact CD1-CG2 3.75Å; F73-V94 HydrophobicContact CD2-CG2 4.15Å; F73-V94 HydrophobicContact CE1-CG2 3.54Å; F73-V94 HydrophobicContact CE2-CG2 3.95Å; F73-V94 HydrophobicContact CG-CG2 4.05Å; F73-V94 HydrophobicContact CZ-CG2 3.65Å; I90-V94 WeakPolarHBondContact O-CG2 3.45Å; I90-V94 PolarHBondContact O-N 2.94Å; Q91-V94 PolarHBondContact O-N 3.01Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 3.32Å; V94-L97 PolarHBondContact O-N 3.01Å; V94-D98 WeakPolarHBondContact O-CB 3.39Å; V94-D98 PolarHBondContact O-N 2.85Å
95E96.4Very high95.5Very high70 Ų7045.8 Ų45.833%0.32725%0.247SC..Hα-helixtrans-65.1-35.8176.1-70.8-177.9-173.100112.5Q91 D98 K99 M134Q91-E95 HydrophobicContact CG-CG 4.44Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.49Å; Q91-E95 PolarHBondContact NE2-OE1 3.38Å; Q91-E95 WeakPolarHBondContact O-CG 3.29Å; Q91-E95 PolarHBondContact O-N 2.96Å; E95-D98 PolarHBondContact O-N 3.14Å; E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.13Å; E95-M134 HydrophobicContact CB-SD 3.6Å; E95-M134 WeakPolarHBondContact OE2-CE 3.28Å; E95-M134 VanDerWaalsContact OE2-SD 3.37Å
96T96.5Very high95.4Very high0 Ų045.7 Ų45.70%024%0.235CC..Hα-helixtrans-66.1-44.4174.4-57.60000110.8V92 F93 V94 D98 K99 C100 I119 I137 I138V92-T96 VanDerWaalsContact O-CB 3.31Å; V92-T96 WeakPolarHBondContact O-CB 3.49Å; V92-T96 PolarHBondContact O-N 3.33Å; V92-T96 PolarHBondContact O-OG1 2.8Å; F93-T96 PolarHBondContact O-N 3.41Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 3.32Å; T96-D98 VanDerWaalsContact C-N 3.34Å; T96-D98 PolarHBondContact O-N 3.31Å; T96-K99 PolarHBondContact O-N 2.74Å; T96-C100 WeakPolarHBondContact O-CB 3.41Å; T96-C100 PolarHBondContact O-N 3.39Å; T96-C100 PolarHBondContact O-SG 3.06Å; T96-I119 HydrophobicContact CG2-CG2 3.72Å; T96-I137 HydrophobicContact CG2-CB 4.38Å; T96-I137 HydrophobicContact CG2-CG2 3.71Å; T96-I138 HydrophobicContact CG2-CG1 4.27Å
97L96.5Very high95.3Very high1 Ų150 Ų501%0.00526%0.258CS..Hα-helixtrans-58.7-46.6173.8-71.1170.4000111.1F73 F93 V94 K99 C100 F101 V104 V116 I119F73-L97 HydrophobicContact CE1-CD1 3.96Å; F73-L97 HydrophobicContact CZ-CD1 4.27Å; F93-L97 HydrophobicContact CD2-CD1 4.11Å; F93-L97 HydrophobicContact CD2-CG 4.09Å; F93-L97 HydrophobicContact CE1-CD1 4.25Å; F93-L97 HydrophobicContact CE2-CD1 3.8Å; F93-L97 HydrophobicContact CE2-CD2 4.04Å; F93-L97 HydrophobicContact CE2-CG 3.85Å; F93-L97 HydrophobicContact CG-CD1 4.46Å; F93-L97 HydrophobicContact CZ-CD1 3.87Å; F93-L97 HydrophobicContact CZ-CG 4.4Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 2.66Å; V94-L97 PolarHBondContact O-N 3.01Å; L97-K99 PolarHBondContact O-N 3.45Å; L97-C100 PolarHBondContact O-N 2.89Å; L97-F101 HydrophobicContact CD2-CD2 4.41Å; L97-F101 HydrophobicContact CD2-CE2 3.97Å; L97-F101 VanDerWaalsContact O-CD2 3.29Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.84Å; L97-V104 HydrophobicContact CB-CG1 4.38Å; L97-V104 HydrophobicContact CB-CG2 4.41Å; L97-V116 HydrophobicContact CD2-CG1 4.2Å; L97-V116 HydrophobicContact CD2-CG2 4.25Å; L97-I119 HydrophobicContact CD2-CD1 3.87Å; L97-I119 HydrophobicContact CD2-CG2 4.37Å
98D95.6Very high95.3Very high66 Ų6651.1 Ų51.135%0.35326%0.264SS..Hα-helixtrans-60.5-42.8-179.7-169.158.7000112.8V94 E95 T96 E102 N103 V104V94-D98 WeakPolarHBondContact O-CB 3.39Å; V94-D98 PolarHBondContact O-N 2.85Å; E95-D98 PolarHBondContact O-N 3.14Å; T96-D98 VanDerWaalsContact C-N 3.34Å; T96-D98 PolarHBondContact O-N 3.31Å; D98-E102 WeakPolarHBondContact O-CA 3.44Å; D98-E102 PolarHBondContact O-N 3.06Å; D98-N103 PolarHBondContact O-N 2.79Å; D98-N103 WeakPolarHBondContact OD1-CA 3.34Å; D98-V104 HydrophobicContact CB-CG1 4Å; D98-V104 PolarHBondContact OD1-N 2.92Å
99K94.6Very high95.2Very high102 Ų10246.2 Ų46.244%0.44324%0.238SC..Hα-helixtrans-66-40173.8-74.4175.1-179.1169.80112.8E95 T96 L97 F101 M134 I138E95-K99 WeakPolarHBondContact O-CG 3.44Å; E95-K99 PolarHBondContact O-N 3.13Å; T96-K99 PolarHBondContact O-N 2.74Å; L97-K99 PolarHBondContact O-N 3.45Å; K99-F101 VanDerWaalsContact C-N 3.34Å; K99-M134 HydrophobicContact CD-SD 4.4Å; K99-M134 PolarHBondContact NZ-SD 2.98Å; K99-I138 HydrophobicContact CB-CD1 3.82Å; K99-I138 HydrophobicContact CD-CD1 3.67Å; K99-I138 HydrophobicContact CG-CD1 4.4Å
100C93.6Very high95.1Very high21 Ų2148.8 Ų48.814%0.14225%0.251CS..Hα-helixtrans-72.2-25.2-178.8-75.60000113.8T96 L97 K115 I119T96-C100 WeakPolarHBondContact O-CB 3.41Å; T96-C100 PolarHBondContact O-N 3.39Å; T96-C100 PolarHBondContact O-SG 3.06Å; L97-C100 PolarHBondContact O-N 2.89Å; C100-K115 PolarHBondContact O-NZ 3.03Å; C100-I119 HydrophobicContact CB-CD1 3.75Å
101F93.8Very high95Very high32 Ų3255.6 Ų55.614%0.1428%0.281CS..Hα-helixtrans-110.3-4.2-178.4-71-76.1000114.3L97 K99 V104 D108 H112 K115 V116 I119L97-F101 HydrophobicContact CD2-CD2 4.41Å; L97-F101 HydrophobicContact CD2-CE2 3.97Å; L97-F101 VanDerWaalsContact O-CD2 3.29Å; L97-F101 WeakPolarHBondContact O-CD2 3.44Å; L97-F101 PolarHBondContact O-N 2.84Å; K99-F101 VanDerWaalsContact C-N 3.34Å; F101-V104 HydrophobicContact CB-CB 3.93Å; F101-V104 HydrophobicContact CB-CG2 4.01Å; F101-V104 HydrophobicContact CD2-CB 4.41Å; F101-V104 HydrophobicContact CD2-CG2 3.8Å; F101-V104 HydrophobicContact CG-CG2 4.11Å; F101-D108 HydrophobicContact CD1-CB 3.86Å; F101-D108 HydrophobicContact CE1-CB 4.12Å; F101-D108 HydrophobicContact CG-CB 4.18Å; F101-H112 HydrophobicContact CE1-CB 3.74Å; F101-H112 AromaticContact CE1-CD2 3.89Å; F101-H112 HydrophobicContact CZ-CB 3.93Å; F101-K115 HydrophobicContact CE1-CD 3.81Å; F101-K115 HydrophobicContact CZ-CB 4.18Å; F101-K115 HydrophobicContact CZ-CD 3.72Å; F101-K115 HydrophobicContact CZ-CG 4.04Å; F101-V116 HydrophobicContact CE2-CG2 4.11Å; F101-V116 HydrophobicContact CZ-CG2 4.11Å; F101-I119 HydrophobicContact CE2-CD1 4.19Å
102E91.9Very high94.9Very high167 Ų16757.6 Ų57.678%0.7829%0.29SS*.THydrogen-bonded Turntrans55.669.7-179-59.1-177.8170.300112.8D98D98-E102 WeakPolarHBondContact O-CA 3.44Å; D98-E102 PolarHBondContact O-N 3.06Å
103N90.1Very high94.7Very high134 Ų13459.5 Ų59.572%0.71730%0.301SS*.SBendtrans80.571-169.5-45.4-72.5000112.4D98D98-N103 PolarHBondContact O-N 2.79Å; D98-N103 WeakPolarHBondContact OD1-CA 3.34Å
104V93.6Very high94.5Very high39 Ų3965 Ų6524%0.23633%0.331CS..  trans-62137.5-17568.20000111.9L97 D98 F101 D108 L109L97-V104 HydrophobicContact CB-CG1 4.38Å; L97-V104 HydrophobicContact CB-CG2 4.41Å; D98-V104 HydrophobicContact CB-CG1 4Å; D98-V104 PolarHBondContact OD1-N 2.92Å; F101-V104 HydrophobicContact CB-CB 3.93Å; F101-V104 HydrophobicContact CB-CG2 4.01Å; F101-V104 HydrophobicContact CD2-CB 4.41Å; F101-V104 HydrophobicContact CD2-CG2 3.8Å; F101-V104 HydrophobicContact CG-CG2 4.11Å; V104-D108 HydrophobicContact CG2-CB 4.28Å; V104-L109 HydrophobicContact CG2-CD1 3.46Å; V104-L109 VanDerWaalsContact CG2-CD1 3.46Å
105C93.9Very high94.4Very high61 Ų6166.7 Ų66.741%0.41234%0.337SS..  trans-124.3166.3170.674.80000112L107 D108C105-L107 PolarHBondContact O-N 2.81Å; C105-L107 VanDerWaalsContact O-N 3.09Å; C105-D108 PolarHBondContact N-OD2 3.44Å; C105-D108 WeakPolarHBondContact O-CB 3.21Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 PolarHBondContact SG-OD2 3.02Å
106E94.7Very high94.4Very high40 Ų4063.4 Ų63.419%0.18732%0.321CS..Hα-helixtrans-54.2-32.1177.7170.6174.3179.300112.4N9 R15 T70 L71 D108 L109 I110N9-E106 VanDerWaalsContact CB-OE1 3.24Å; N9-E106 WeakPolarHBondContact CB-OE1 3.43Å; N9-E106 PolarHBondContact ND2-OE1 3.49Å; R15-E106 IonicContact CZ-OE1 3.89Å; R15-E106 IonicContact NE-OE1 2.68Å; R15-E106 PolarHBondContact NE-OE1 2.94Å; R15-E106 IonicContact NH2-OE1 3.19Å; R15-E106 PolarHBondContact NH2-OE1 3.02Å; T70-E106 PolarHBondContact OG1-OE2 2.83Å; L71-E106 HydrophobicContact CD1-CB 4.23Å; L71-E106 HydrophobicContact CD2-CB 4.21Å; L71-E106 HydrophobicContact CD2-CG 3.91Å; L71-E106 HydrophobicContact CG-CB 4.29Å; E106-D108 VanDerWaalsContact C-N 3.34Å; E106-L109 PolarHBondContact O-N 2.98Å; E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CG1 3.44Å; E106-I110 PolarHBondContact O-N 3.46Å
107L94.8Very high94.3Very high95 Ų9566.5 Ų66.550%0.49734%0.336SS..Hα-helixtrans-69-33.3-178.3-15870.1000112.2C105 L109 I110 F111C105-L107 PolarHBondContact O-N 2.81Å; C105-L107 VanDerWaalsContact O-N 3.09Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L107-I110 HydrophobicContact CD1-CD1 4.41Å; L107-I110 WeakPolarHBondContact O-CB 3.5Å; L107-I110 PolarHBondContact O-N 3.25Å; L107-I110 VanDerWaalsContact O-N 3.13Å; L107-F111 HydrophobicContact CD1-CD2 4.19Å; L107-F111 HydrophobicContact CD1-CE2 3.62Å; L107-F111 HydrophobicContact CD1-CZ 4.39Å; L107-F111 HydrophobicContact CD2-CD2 4.2Å; L107-F111 HydrophobicContact CD2-CE2 3.71Å; L107-F111 HydrophobicContact CG-CD2 3.63Å; L107-F111 HydrophobicContact CG-CE2 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.48Å; L107-F111 PolarHBondContact O-N 2.96Å
108D95.5Very high94.2Very high39 Ų3969 Ų6921%0.20935%0.349CS..Hα-helixtrans-65.6-40.6176.7-59.2-46.6000111F101 V104 C105 E106 I110 F111 H112F101-D108 HydrophobicContact CD1-CB 3.86Å; F101-D108 HydrophobicContact CE1-CB 4.12Å; F101-D108 HydrophobicContact CG-CB 4.18Å; V104-D108 HydrophobicContact CG2-CB 4.28Å; C105-D108 PolarHBondContact N-OD2 3.44Å; C105-D108 WeakPolarHBondContact O-CB 3.21Å; C105-D108 PolarHBondContact O-N 2.84Å; C105-D108 PolarHBondContact SG-OD2 3.02Å; E106-D108 VanDerWaalsContact C-N 3.34Å; D108-I110 PolarHBondContact O-N 3.13Å; D108-F111 PolarHBondContact O-N 3.3Å; D108-H112 WeakPolarHBondContact O-CA 3.27Å; D108-H112 WeakPolarHBondContact O-CB 3.41Å; D108-H112 PolarHBondContact O-N 3.03Å
109L95.6Very high94.3Very high4 Ų465.9 Ų65.92%0.02133%0.332CS..Hα-helixtrans-63.1-30174.8-82.664.5000111.9I7 R15 L71 V104 E106 L107 V113 V116I7-L109 HydrophobicContact CD1-CD2 4.03Å; I7-L109 HydrophobicContact CG2-CD2 4.15Å; R15-L109 HydrophobicContact CB-CB 4.5Å; R15-L109 HydrophobicContact CB-CD2 4.49Å; L71-L109 HydrophobicContact CD1-CD2 3.76Å; V104-L109 HydrophobicContact CG2-CD1 3.46Å; V104-L109 VanDerWaalsContact CG2-CD1 3.46Å; E106-L109 PolarHBondContact O-N 2.98Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L109-V113 WeakPolarHBondContact O-CG1 3.16Å; L109-V116 HydrophobicContact CB-CG2 4.39Å; L109-V116 HydrophobicContact CD1-CG2 4.49Å; L109-V116 HydrophobicContact CG-CG2 3.95Å
110I94.9Very high94.4Very high62 Ų6261.1 Ų61.132%0.31831%0.312SS..Hα-helixtrans-77.9-43.3178.8-64.1165.2000111.4E106 L107 D108E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CG1 3.44Å; E106-I110 PolarHBondContact O-N 3.46Å; L107-I110 HydrophobicContact CD1-CD1 4.41Å; L107-I110 WeakPolarHBondContact O-CB 3.5Å; L107-I110 PolarHBondContact O-N 3.25Å; L107-I110 VanDerWaalsContact O-N 3.13Å; D108-I110 PolarHBondContact O-N 3.13Å
111F95.1Very high94.5Very high143 Ų14361.8 Ų61.863%0.62732%0.318SS*.Hα-helixtrans-84.6-22.4-176.1-74.1-57.7000113.7L107 D108L107-F111 HydrophobicContact CD1-CD2 4.19Å; L107-F111 HydrophobicContact CD1-CE2 3.62Å; L107-F111 HydrophobicContact CD1-CZ 4.39Å; L107-F111 HydrophobicContact CD2-CD2 4.2Å; L107-F111 HydrophobicContact CD2-CE2 3.71Å; L107-F111 HydrophobicContact CG-CD2 3.63Å; L107-F111 HydrophobicContact CG-CE2 3.39Å; L107-F111 WeakPolarHBondContact O-CD2 3.48Å; L107-F111 PolarHBondContact O-N 2.96Å; D108-F111 PolarHBondContact O-N 3.3Å
112H94.4Very high94.6Very high95 Ų9562.4 Ų62.444%0.4432%0.322SS..  trans-123.846.4-176.6-59.3-61.1000112.1F101 D108 D114 K115 V116F101-H112 HydrophobicContact CE1-CB 3.74Å; F101-H112 AromaticContact CE1-CD2 3.89Å; F101-H112 HydrophobicContact CZ-CB 3.93Å; D108-H112 WeakPolarHBondContact O-CA 3.27Å; D108-H112 WeakPolarHBondContact O-CB 3.41Å; D108-H112 PolarHBondContact O-N 3.03Å; H112-D114 PolarHBondContact O-N 3.47Å; H112-K115 HydrophobicContact CB-CB 4.2Å; H112-K115 PolarHBondContact O-N 3.35Å; H112-K115 VanDerWaalsContact O-N 3.12Å; H112-V116 WeakPolarHBondContact O-CG2 3.42Å; H112-V116 PolarHBondContact O-N 3.22Å; H112-V116 VanDerWaalsContact O-N 3.11Å
113V93.8Very high94.8Very high57 Ų5754.5 Ų54.535%0.34529%0.285SS..Hα-helixtrans-53.3-40.6179.6-65.60000112.5L109 K115 V116 H117L109-V113 WeakPolarHBondContact O-CG1 3.16Å; V113-K115 PolarHBondContact O-N 3.32Å; V113-V116 PolarHBondContact O-N 2.9Å; V113-H117 PolarHBondContact O-CD2 2.9Å; V113-H117 VanDerWaalsContact O-CD2 3.24Å; V113-H117 PolarHBondContact O-N 3.43Å
114D92.6Very high95.1Very high118 Ų11848.3 Ų48.363%0.63125%0.252SS*.Hα-helixtrans-62.6-44.9-179.6-55.6-57.6000111H112 V116 H117 N118H112-D114 PolarHBondContact O-N 3.47Å; D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 3.46Å; D114-H117 PolarHBondContact O-N 3.35Å; D114-N118 PolarHBondContact O-N 3.02Å; D114-N118 PolarHBondContact O-ND2 3.1Å; D114-N118 PolarHBondContact O-OD1 3.34Å
115K93.9Very high95.2Very high55 Ų5551.6 Ų51.624%0.23927%0.266CS..Hα-helixtrans-63.6-40177.7-171.8176.6174.3-167.40111.6C100 F101 H112 V113 N118 I119C100-K115 PolarHBondContact O-NZ 3.03Å; F101-K115 HydrophobicContact CE1-CD 3.81Å; F101-K115 HydrophobicContact CZ-CB 4.18Å; F101-K115 HydrophobicContact CZ-CD 3.72Å; F101-K115 HydrophobicContact CZ-CG 4.04Å; H112-K115 HydrophobicContact CB-CB 4.2Å; H112-K115 PolarHBondContact O-N 3.35Å; H112-K115 VanDerWaalsContact O-N 3.12Å; V113-K115 PolarHBondContact O-N 3.32Å; K115-N118 PolarHBondContact O-N 3.44Å; K115-I119 HydrophobicContact CG-CD1 4.13Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.3Å; K115-I119 PolarHBondContact O-N 2.94Å
116V96.3Very high95.1Very high1 Ų151.3 Ų51.31%0.00627%0.273CS..Hα-helixtrans-63.9-43.1176178.90000110.9L16 F93 L97 F101 L109 H112 V113 D114 I119 L120L16-V116 HydrophobicContact CD1-CG1 3.96Å; L16-V116 HydrophobicContact CD2-CG1 4.03Å; F93-V116 HydrophobicContact CZ-CG1 4.33Å; L97-V116 HydrophobicContact CD2-CG1 4.2Å; L97-V116 HydrophobicContact CD2-CG2 4.25Å; F101-V116 HydrophobicContact CE2-CG2 4.11Å; F101-V116 HydrophobicContact CZ-CG2 4.11Å; L109-V116 HydrophobicContact CB-CG2 4.39Å; L109-V116 HydrophobicContact CD1-CG2 4.49Å; L109-V116 HydrophobicContact CG-CG2 3.95Å; H112-V116 WeakPolarHBondContact O-CG2 3.42Å; H112-V116 PolarHBondContact O-N 3.22Å; H112-V116 VanDerWaalsContact O-N 3.11Å; V113-V116 PolarHBondContact O-N 2.9Å; D114-V116 VanDerWaalsContact C-N 3.34Å; D114-V116 PolarHBondContact O-N 3.46Å; V116-I119 PolarHBondContact O-N 3.38Å; V116-L120 WeakPolarHBondContact O-CB 3.45Å; V116-L120 PolarHBondContact O-N 2.93Å
117H95.6Very high95.1Very high64 Ų6449.4 Ų49.430%0.29627%0.265SS..Hα-helixtrans-64-39175.8-84.7-71.5000112.5L16 V113 D114 L120 A121L16-H117 WeakPolarHBondContact CD1-CE1 3.2Å; L16-H117 WeakPolarHBondContact CD1-NE2 3.23Å; V113-H117 PolarHBondContact O-CD2 2.9Å; V113-H117 VanDerWaalsContact O-CD2 3.24Å; V113-H117 PolarHBondContact O-N 3.43Å; D114-H117 PolarHBondContact O-N 3.35Å; H117-L120 PolarHBondContact O-N 3.27Å; H117-A121 WeakPolarHBondContact O-CB 3.29Å; H117-A121 PolarHBondContact O-N 2.94Å
118N94.7Very high95.1Very high54 Ų5451.1 Ų51.129%0.28927%0.271SS..Hα-helixtrans-65.8-45.5176.5-65.9-12.7000111.3D114 K115 L120 A121 E122D114-N118 PolarHBondContact O-N 3.02Å; D114-N118 PolarHBondContact O-ND2 3.1Å; D114-N118 PolarHBondContact O-OD1 3.34Å; K115-N118 PolarHBondContact O-N 3.44Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 3.37Å; N118-A121 WeakPolarHBondContact O-CB 3.47Å; N118-A121 PolarHBondContact O-N 3.45Å; N118-A121 VanDerWaalsContact O-N 3.13Å; N118-E122 PolarHBondContact O-N 3.41Å; N118-E122 VanDerWaalsContact O-N 3.14Å
119I96.2Very high95.1Very high0 Ų052.3 Ų52.30%028%0.28CS..Hα-helixtrans-58.4-45.4174.2-66.9163.5000110.3F93 T96 L97 C100 F101 K115 V116 A121 E122 M123 V141F93-I119 HydrophobicContact CD2-CG2 4.31Å; F93-I119 HydrophobicContact CE2-CG2 4.07Å; T96-I119 HydrophobicContact CG2-CG2 3.72Å; L97-I119 HydrophobicContact CD2-CD1 3.87Å; L97-I119 HydrophobicContact CD2-CG2 4.37Å; C100-I119 HydrophobicContact CB-CD1 3.75Å; F101-I119 HydrophobicContact CE2-CD1 4.19Å; K115-I119 HydrophobicContact CG-CD1 4.13Å; K115-I119 VanDerWaalsContact O-CG1 3.26Å; K115-I119 WeakPolarHBondContact O-CG1 3.3Å; K115-I119 PolarHBondContact O-N 2.94Å; V116-I119 PolarHBondContact O-N 3.38Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 3Å; I119-E122 PolarHBondContact O-N 3.33Å; I119-M123 PolarHBondContact O-N 2.92Å; I119-V141 HydrophobicContact CB-CG2 4.46Å; I119-V141 HydrophobicContact CG1-CG1 4.01Å; I119-V141 HydrophobicContact CG1-CG2 3.87Å
120L97.1Very high95.1Very high3 Ų356.9 Ų56.92%0.01630%0.304CS..Hα-helixtrans-62.7-38177.5178.661.3000112I5 L16 K18 F93 V116 H117 N118 E122 M123 V124I5-L120 HydrophobicContact CB-CD2 4.36Å; I5-L120 HydrophobicContact CD1-CD1 3.68Å; I5-L120 HydrophobicContact CD1-CD2 4.25Å; I5-L120 HydrophobicContact CD1-CG 4.49Å; I5-L120 HydrophobicContact CG2-CD1 4.48Å; I5-L120 HydrophobicContact CG2-CD2 4.2Å; L16-L120 HydrophobicContact CD2-CD2 3.85Å; K18-L120 HydrophobicContact CB-CD2 3.94Å; K18-L120 HydrophobicContact CG-CD2 4.12Å; F93-L120 HydrophobicContact CE1-CD1 4.35Å; F93-L120 HydrophobicContact CE2-CB 4.18Å; F93-L120 HydrophobicContact CE2-CD1 4.42Å; F93-L120 HydrophobicContact CZ-CB 4.1Å; F93-L120 HydrophobicContact CZ-CD1 4.19Å; V116-L120 WeakPolarHBondContact O-CB 3.45Å; V116-L120 PolarHBondContact O-N 2.93Å; H117-L120 PolarHBondContact O-N 3.27Å; N118-L120 VanDerWaalsContact C-N 3.31Å; N118-L120 PolarHBondContact O-N 3.37Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-E122 PolarHBondContact O-N 2.9Å; L120-M123 PolarHBondContact O-N 3.03Å; L120-M123 VanDerWaalsContact O-N 3.09Å; L120-V124 HydrophobicContact CD1-CB 4.41Å; L120-V124 HydrophobicContact CD1-CG2 4.46Å; L120-V124 PolarHBondContact O-N 3.29Å
121A95.9Very high95.1Very high34 Ų3457.2 Ų57.228%0.28130%0.304SS..Hα-helixtrans-66-32.6-179.700000112.8H117 N118 I119 M123 M125H117-A121 WeakPolarHBondContact O-CB 3.29Å; H117-A121 PolarHBondContact O-N 2.94Å; N118-A121 WeakPolarHBondContact O-CB 3.47Å; N118-A121 PolarHBondContact O-N 3.45Å; N118-A121 VanDerWaalsContact O-N 3.13Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 3Å; A121-M123 VanDerWaalsContact C-N 3.25Å; A121-M123 PolarHBondContact O-N 3.33Å; A121-M125 WeakPolarHBondContact O-CG 3.32Å
122E95.9Very high95.1Very high45 Ų4554.4 Ų54.421%0.2130%0.299CS..Hα-helixtrans-66.8-28.9172-67.5-52.4119.200112.4N118 I119 L120 I137 Q140 V141 Q144N118-E122 PolarHBondContact O-N 3.41Å; N118-E122 VanDerWaalsContact O-N 3.14Å; I119-E122 PolarHBondContact O-N 3.33Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-E122 PolarHBondContact O-N 2.9Å; E122-I137 HydrophobicContact CB-CG2 3.93Å; E122-Q140 HydrophobicContact CG-CB 4.31Å; E122-Q140 VanDerWaalsContact OE2-CB 3.27Å; E122-Q140 WeakPolarHBondContact OE2-CB 3.29Å; E122-V141 HydrophobicContact CG-CG2 3.85Å; E122-Q144 PolarHBondContact OE1-NE2 2.98Å
123M96.4Very high95.2Very high2 Ų253.3 Ų53.31%0.0130%0.296CS..Hα-helixtrans-88-44.3-178.7-64.1-174.165.100113.2L89 V92 F93 I119 L120 A121 L130 I137L89-M123 HydrophobicContact CD1-CE 3.65Å; L89-M123 HydrophobicContact CG-CE 4.49Å; V92-M123 HydrophobicContact CB-CE 4.09Å; V92-M123 HydrophobicContact CG1-CE 3.65Å; F93-M123 HydrophobicContact CB-CE 3.78Å; F93-M123 HydrophobicContact CB-SD 3.86Å; F93-M123 HydrophobicContact CD2-SD 3.59Å; F93-M123 VanDerWaalsContact CD2-SD 3.59Å; F93-M123 HydrophobicContact CG-SD 4.09Å; I119-M123 PolarHBondContact O-N 2.92Å; L120-M123 PolarHBondContact O-N 3.03Å; L120-M123 VanDerWaalsContact O-N 3.09Å; A121-M123 VanDerWaalsContact C-N 3.25Å; A121-M123 PolarHBondContact O-N 3.33Å; M123-L130 PolarHBondContact O-N 3.11Å; M123-I137 HydrophobicContact CE-CD1 4.39Å; M123-I137 HydrophobicContact CG-CD1 3.62Å; M123-I137 HydrophobicContact CG-CG1 4.2Å; M123-I137 HydrophobicContact CG-CG2 4.28Å; M123-I137 HydrophobicContact SD-CD1 4.19Å
124V96.8Very high95.2Very high3 Ų352.6 Ų52.62%0.01829%0.29CS..EExtended strand (participates in β ladder)trans-138.9124.9-172.2-175.10000110.2I2 I5 Y20 L89 L120 M128I2-V124 HydrophobicContact CD1-CG1 3.86Å; I2-V124 HydrophobicContact CD1-CG2 4.12Å; I5-V124 HydrophobicContact CD1-CB 4.25Å; I5-V124 HydrophobicContact CD1-CG1 4.23Å; I5-V124 HydrophobicContact CD1-CG2 4.19Å; Y20-V124 HydrophobicContact CE1-CG1 4.31Å; Y20-V124 HydrophobicContact CE2-CG1 3.82Å; Y20-V124 WeakPolarHBondContact OH-CB 3.06Å; Y20-V124 VanDerWaalsContact OH-CG1 3.29Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.43Å; Y20-V124 PolarHBondContact OH-O 3.48Å; L89-V124 HydrophobicContact CD2-CG2 4.07Å; L120-V124 HydrophobicContact CD1-CB 4.41Å; L120-V124 HydrophobicContact CD1-CG2 4.46Å; L120-V124 PolarHBondContact O-N 3.29Å; V124-M128 VanDerWaalsContact CA-O 3.32Å; V124-M128 WeakPolarHBondContact CA-O 3.42Å; V124-M128 WeakPolarHBondContact CG1-O 3.42Å
125M94.8Very high95.3Very high109 Ų10951.9 Ų51.954%0.53729%0.286SS..EExtended strand (participates in β ladder)trans-134.2136.6174.7-75.7-117-76.800110.9A121 G127 M128 L130A121-M125 WeakPolarHBondContact O-CG 3.32Å; M125-G127 PolarHBondContact O-N 3.19Å; M125-G127 VanDerWaalsContact O-N 3.12Å; M125-M128 PolarHBondContact N-O 2.91Å; M125-M128 PolarHBondContact O-N 3.49Å; M125-L130 HydrophobicContact CB-CD1 3.67Å; M125-L130 HydrophobicContact CB-CG 4.19Å; M125-L130 HydrophobicContact CE-CD1 4.4Å; M125-L130 HydrophobicContact CG-CD1 3.6Å
126G93.4Very high95.4Very high54 Ų5453.2 Ų53.256%0.55729%0.293SS*.THydrogen-bonded Turntrans57.925.6-179.300000114M128G126-M128 VanDerWaalsContact C-N 3.29Å; G126-M128 PolarHBondContact O-N 3.06Å
127G93.1Very high95.3Very high1 Ų153.3 Ų53.31%0.0129%0.293CS..THydrogen-bonded Turntrans789.7-176.600000114.9I2 Y20 M125I2-G127 WeakPolarHBondContact CB-O 3.46Å; I2-G127 PolarHBondContact N-O 3.12Å; I2-G127 WeakPolarHBondContact O-CA 3.21Å; Y20-G127 VanDerWaalsContact CG-N 3.29Å; M125-G127 PolarHBondContact O-N 3.19Å; M125-G127 VanDerWaalsContact O-N 3.12Å
128M94.4Very high95.3Very high130 Ų13052 Ų5264%0.6429%0.288SS*.EExtended strand (participates in β ladder)trans-113.7142.7175.4-57.1-149.8-58.200111.1V124 M125 G126V124-M128 VanDerWaalsContact CA-O 3.32Å; V124-M128 WeakPolarHBondContact CA-O 3.42Å; V124-M128 WeakPolarHBondContact CG1-O 3.42Å; M125-M128 PolarHBondContact N-O 2.91Å; M125-M128 PolarHBondContact O-N 3.49Å; G126-M128 VanDerWaalsContact C-N 3.29Å; G126-M128 PolarHBondContact O-N 3.06Å
129V95.6Very high95.3Very high64 Ų6453.9 Ų53.939%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-76127.2175.9-174.30000108.8I2 L89 T132I2-V129 HydrophobicContact CD1-CG2 3.95Å; L89-V129 HydrophobicContact CD1-CG1 4.05Å; L89-V129 HydrophobicContact CD2-CG1 4.46Å; L89-V129 HydrophobicContact CD2-CG2 3.62Å; V129-T132 HydrophobicContact CG1-CG2 3.75Å
130L95.4Very high95.2Very high101 Ų10157.9 Ų57.953%0.52932%0.316SS..  trans-99.7-53.3179.2-66.9-176000111.6M123 M125M123-L130 PolarHBondContact O-N 3.11Å; M125-L130 HydrophobicContact CB-CD1 3.67Å; M125-L130 HydrophobicContact CB-CG 4.19Å; M125-L130 HydrophobicContact CE-CD1 4.4Å; M125-L130 HydrophobicContact CG-CD1 3.6Å
131E95.4Very high95Very high69 Ų6957.8 Ų57.832%0.32232%0.316SS..  trans-136.2139.7-174.3-173.355.2-97.600110.4N133 E136 I137E131-N133 VanDerWaalsContact OE1-CB 3.28Å; E131-N133 WeakPolarHBondContact OE1-CB 3.24Å; E131-N133 PolarHBondContact OE1-N 2.9Å; E131-E136 HydrophobicContact CG-CB 4.15Å; E131-I137 HydrophobicContact CB-CG1 4.02Å; E131-I137 HydrophobicContact CG-CD1 4.2Å; E131-I137 HydrophobicContact CG-CG1 3.63Å
132T95.5Very high94.9Very high84 Ų8459.8 Ų59.852%0.51532%0.322SS..  trans-121.9-12.517859.30000112.1L89 V92 V129 M134L89-T132 HydrophobicContact CD1-CG2 4.42Å; V92-T132 VanDerWaalsContact CG1-O 3.32Å; V92-T132 WeakPolarHBondContact CG1-O 3.31Å; V129-T132 HydrophobicContact CG1-CG2 3.75Å; T132-M134 PolarHBondContact O-N 3.22Å
133N95.5Very high94.7Very high72 Ų7259.3 Ų59.339%0.38533%0.325SS..  trans-79108.1175.1-172-21.3000110.7E131 N135 E136 I137E131-N133 VanDerWaalsContact OE1-CB 3.28Å; E131-N133 WeakPolarHBondContact OE1-CB 3.24Å; E131-N133 PolarHBondContact OE1-N 2.9Å; N133-N135 PolarHBondContact O-N 2.82Å; N133-N135 VanDerWaalsContact O-N 3.11Å; N133-N135 WeakPolarHBondContact OD1-CB 3.47Å; N133-N135 PolarHBondContact OD1-N 3.17Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 HydrophobicContact CB-CG 4.29Å; N133-E136 PolarHBondContact O-N 2.96Å; N133-E136 VanDerWaalsContact O-N 3.14Å; N133-I137 WeakPolarHBondContact O-CG1 3.44Å; N133-I137 PolarHBondContact O-N 3.27Å; N133-I137 VanDerWaalsContact O-N 3.11Å
134M94.8Very high94.4Very high42 Ų4262 Ų6221%0.20734%0.337CS..Hα-helixtrans-50.2-37.6177.4-66.2-174.9-91.400113.8V92 E95 K99 T132 I137 I138V92-M134 HydrophobicContact CG1-CG 3.92Å; E95-M134 HydrophobicContact CB-SD 3.6Å; E95-M134 WeakPolarHBondContact OE2-CE 3.28Å; E95-M134 VanDerWaalsContact OE2-SD 3.37Å; K99-M134 HydrophobicContact CD-SD 4.4Å; K99-M134 PolarHBondContact NZ-SD 2.98Å; T132-M134 PolarHBondContact O-N 3.22Å; M134-I137 PolarHBondContact O-N 2.68Å; M134-I138 WeakPolarHBondContact O-CB 3.15Å; M134-I138 WeakPolarHBondContact O-CD1 3.47Å; M134-I138 WeakPolarHBondContact O-CG1 3.44Å; M134-I138 PolarHBondContact O-N 2.88Å
135N94.5Very high94Very high102 Ų10263.2 Ų63.255%0.54534%0.344SS..Hα-helixtrans-68.6-42.1-176-62.7-34.3000111.3N133 I139N133-N135 PolarHBondContact O-N 2.82Å; N133-N135 VanDerWaalsContact O-N 3.11Å; N133-N135 WeakPolarHBondContact OD1-CB 3.47Å; N133-N135 PolarHBondContact OD1-N 3.17Å; N135-I139 WeakPolarHBondContact O-CD1 3.34Å; N135-I139 WeakPolarHBondContact O-CG1 3.08Å; N135-I139 PolarHBondContact O-N 3.48Å; N135-I139 VanDerWaalsContact O-N 3.07Å
136E95.9Very high93.8Very high84 Ų8465.1 Ų65.139%0.39335%0.349SS..Hα-helixtrans-66-44.1176.5-69-61.6152.300110.7E131 N133 I138 I139 Q140E131-E136 HydrophobicContact CG-CB 4.15Å; N133-E136 HydrophobicContact CB-CB 4.36Å; N133-E136 HydrophobicContact CB-CG 4.29Å; N133-E136 PolarHBondContact O-N 2.96Å; N133-E136 VanDerWaalsContact O-N 3.14Å; E136-I138 PolarHBondContact O-N 3.04Å; E136-I139 PolarHBondContact O-N 3.45Å; E136-Q140 WeakPolarHBondContact O-CG 3.41Å; E136-Q140 PolarHBondContact O-N 2.98Å
137I95.3Very high93.6Very high2 Ų267.7 Ų67.71%0.0135%0.348CS..Hα-helixtrans-56.2-49.6176.8-63158000110.7V92 T96 E122 M123 E131 N133 M134 I139 Q140 V141V92-I137 HydrophobicContact CG1-CD1 4.44Å; T96-I137 HydrophobicContact CG2-CB 4.38Å; T96-I137 HydrophobicContact CG2-CG2 3.71Å; E122-I137 HydrophobicContact CB-CG2 3.93Å; M123-I137 HydrophobicContact CE-CD1 4.39Å; M123-I137 HydrophobicContact CG-CD1 3.62Å; M123-I137 HydrophobicContact CG-CG1 4.2Å; M123-I137 HydrophobicContact CG-CG2 4.28Å; M123-I137 HydrophobicContact SD-CD1 4.19Å; E131-I137 HydrophobicContact CB-CG1 4.02Å; E131-I137 HydrophobicContact CG-CD1 4.2Å; E131-I137 HydrophobicContact CG-CG1 3.63Å; N133-I137 WeakPolarHBondContact O-CG1 3.44Å; N133-I137 PolarHBondContact O-N 3.27Å; N133-I137 VanDerWaalsContact O-N 3.11Å; M134-I137 PolarHBondContact O-N 2.68Å; I137-I139 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.16Å; I137-Q140 PolarHBondContact O-N 3.17Å; I137-V141 HydrophobicContact CG2-CG2 4.25Å; I137-V141 WeakPolarHBondContact O-CB 3.43Å; I137-V141 VanDerWaalsContact O-CG2 3.26Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 2.83Å
138I94.3Very high93.2Very high36 Ų3673.4 Ų73.419%0.18538%0.375CS..Hα-helixtrans-62.3-42.2-179.8-67.7164.1000111.1T96 K99 M134 E136 Q140 V141 D142T96-I138 HydrophobicContact CG2-CG1 4.27Å; K99-I138 HydrophobicContact CB-CD1 3.82Å; K99-I138 HydrophobicContact CD-CD1 3.67Å; K99-I138 HydrophobicContact CG-CD1 4.4Å; M134-I138 WeakPolarHBondContact O-CB 3.15Å; M134-I138 WeakPolarHBondContact O-CD1 3.47Å; M134-I138 WeakPolarHBondContact O-CG1 3.44Å; M134-I138 PolarHBondContact O-N 2.88Å; E136-I138 PolarHBondContact O-N 3.04Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.46Å; I138-V141 PolarHBondContact O-N 3.17Å; I138-D142 WeakPolarHBondContact O-CB 3.45Å; I138-D142 PolarHBondContact O-N 3.09Å
139I95.6Very high92.8Very high94 Ų9474.7 Ų74.748%0.48238%0.377SS..Hα-helixtrans-59.2-45.1177.7-72.2164.1000110.9N135 E136 I137 D142 A143N135-I139 WeakPolarHBondContact O-CD1 3.34Å; N135-I139 WeakPolarHBondContact O-CG1 3.08Å; N135-I139 PolarHBondContact O-N 3.48Å; N135-I139 VanDerWaalsContact O-N 3.07Å; E136-I139 PolarHBondContact O-N 3.45Å; I137-I139 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.16Å; I139-D142 PolarHBondContact O-N 2.9Å; I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 2.81Å
140Q94.3Very high92.2Very high85 Ų8575 Ų7540%0.39738%0.382SS..Hα-helixtrans-69.7-42.3-179.9-62.4-50.6-3300112.2E122 E136 I137 I138 D142 A143 Q144E122-Q140 HydrophobicContact CG-CB 4.31Å; E122-Q140 VanDerWaalsContact OE2-CB 3.27Å; E122-Q140 WeakPolarHBondContact OE2-CB 3.29Å; E136-Q140 WeakPolarHBondContact O-CG 3.41Å; E136-Q140 PolarHBondContact O-N 2.98Å; I137-Q140 PolarHBondContact O-N 3.17Å; I138-Q140 VanDerWaalsContact C-N 3.33Å; I138-Q140 PolarHBondContact O-N 3.46Å; Q140-D142 VanDerWaalsContact C-N 3.3Å; Q140-D142 PolarHBondContact O-N 2.87Å; Q140-A143 WeakPolarHBondContact O-CB 3.48Å; Q140-A143 PolarHBondContact O-N 2.75Å; Q140-A143 VanDerWaalsContact O-N 3.16Å; Q140-Q144 WeakPolarHBondContact O-CG 3.43Å; Q140-Q144 PolarHBondContact O-N 2.91Å
141V92.8Very high91.4Very high1 Ų176.8 Ų76.81%0.00639%0.387CS..Hα-helixtrans-59.2-42.6174.9171.20000110.8I119 E122 I137 I138 Q144 N145I119-V141 HydrophobicContact CB-CG2 4.46Å; I119-V141 HydrophobicContact CG1-CG1 4.01Å; I119-V141 HydrophobicContact CG1-CG2 3.87Å; E122-V141 HydrophobicContact CG-CG2 3.85Å; I137-V141 HydrophobicContact CG2-CG2 4.25Å; I137-V141 WeakPolarHBondContact O-CB 3.43Å; I137-V141 VanDerWaalsContact O-CG2 3.26Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 2.83Å; I138-V141 PolarHBondContact O-N 3.17Å; V141-Q144 PolarHBondContact O-N 2.56Å; V141-N145 PolarHBondContact O-N 3.33Å; V141-N145 PolarHBondContact O-ND2 2.82Å; V141-N145 VanDerWaalsContact O-ND2 3.13Å
142D92.4Very high90.1Very high76 Ų7676.6 Ų76.641%0.40640%0.397SS..Hα-helixtrans-68.1-35.4176.7-81.1-15.7000113I138 I139 Q140 N145 K146I138-D142 WeakPolarHBondContact O-CB 3.45Å; I138-D142 PolarHBondContact O-N 3.09Å; I139-D142 PolarHBondContact O-N 2.9Å; Q140-D142 VanDerWaalsContact C-N 3.3Å; Q140-D142 PolarHBondContact O-N 2.87Å; D142-N145 PolarHBondContact O-N 3.3Å; D142-K146 VanDerWaalsContact O-CG 3.29Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 2.62Å
143A92.7Very high88.2Confident34 Ų3475.1 Ų75.128%0.28140%0.399SS..Hα-helixtrans-63-44173.100000111.1I139 Q140 K146 M147I139-A143 WeakPolarHBondContact O-CB 3.17Å; I139-A143 PolarHBondContact O-N 2.81Å; Q140-A143 WeakPolarHBondContact O-CB 3.48Å; Q140-A143 PolarHBondContact O-N 2.75Å; Q140-A143 VanDerWaalsContact O-N 3.16Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.02Å; A143-M147 WeakPolarHBondContact O-CG 3.39Å; A143-M147 PolarHBondContact O-N 2.94Å
144Q89.9Confident86.2Confident58 Ų5877.6 Ų77.627%0.27141%0.411SS..Hα-helixtrans-61.5-47.3175.1-71.5176.44.700112E122 Q140 V141 K146 M147 E148E122-Q144 PolarHBondContact OE1-NE2 2.98Å; Q140-Q144 WeakPolarHBondContact O-CG 3.43Å; Q140-Q144 PolarHBondContact O-N 2.91Å; V141-Q144 PolarHBondContact O-N 2.56Å; Q144-K146 PolarHBondContact O-N 3.35Å; Q144-M147 HydrophobicContact CG-CE 4.14Å; Q144-M147 PolarHBondContact O-N 2.9Å; Q144-M147 VanDerWaalsContact O-N 3.07Å; Q144-E148 PolarHBondContact O-N 3.02Å
145N88.4Confident84.1Confident29 Ų2979.9 Ų79.916%0.15544%0.437CS..Hα-helixtrans-58.9-33.9177-69.2-31.2000112.4V141 D142 K149V141-N145 PolarHBondContact O-N 3.33Å; V141-N145 PolarHBondContact O-ND2 2.82Å; V141-N145 VanDerWaalsContact O-ND2 3.13Å; D142-N145 PolarHBondContact O-N 3.3Å; N145-K149 WeakPolarHBondContact O-CD 3.37Å; N145-K149 VanDerWaalsContact O-CG 3.25Å; N145-K149 WeakPolarHBondContact O-CG 3.19Å; N145-K149 PolarHBondContact O-N 3.25Å
146K90.2Very high81.8Confident150 Ų15078.3 Ų78.365%0.65245%0.445SS*.Hα-helixtrans-71.3-41.8175.1-74.5168.6-174.8168.70111.9D142 A143 Q144 K149 S150D142-K146 VanDerWaalsContact O-CG 3.29Å; D142-K146 WeakPolarHBondContact O-CG 3.47Å; D142-K146 PolarHBondContact O-N 2.62Å; A143-K146 WeakPolarHBondContact O-CB 3.46Å; A143-K146 PolarHBondContact O-N 3.02Å; Q144-K146 PolarHBondContact O-N 3.35Å; K146-K149 PolarHBondContact O-N 3.43Å; K146-S150 PolarHBondContact O-N 3.09Å
147M88.9Confident79.5Confident108 Ų10876.3 Ų76.353%0.53244%0.442SS..Hα-helixtrans-63.5-47.5177.4-70.9-174.3-67.100111.2A143 Q144 K149 S150 E151A143-M147 WeakPolarHBondContact O-CG 3.39Å; A143-M147 PolarHBondContact O-N 2.94Å; Q144-M147 HydrophobicContact CG-CE 4.14Å; Q144-M147 PolarHBondContact O-N 2.9Å; Q144-M147 VanDerWaalsContact O-N 3.07Å; M147-K149 VanDerWaalsContact C-N 3.32Å; M147-K149 PolarHBondContact O-N 2.72Å; M147-S150 WeakPolarHBondContact O-CA 3.4Å; M147-S150 WeakPolarHBondContact O-CB 3.31Å; M147-S150 PolarHBondContact O-N 3.1Å; M147-S150 PolarHBondContact O-OG 3.4Å; M147-E151 PolarHBondContact O-N 2.7Å
148E85.9Confident77.2Confident121 Ų12180.8 Ų80.857%0.56547%0.472SS*.Hα-helixtrans-56.3-45.4177.6-172-175175.500111.9Q144 S150 E151 A152Q144-E148 PolarHBondContact O-N 3.02Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.39Å; E148-E151 PolarHBondContact O-N 2.9Å; E148-A152 WeakPolarHBondContact O-CB 3.03Å; E148-A152 PolarHBondContact O-N 2.98Å
149K85.1Confident75.1Confident157 Ų15783.1 Ų83.168%0.68350%0.496SS*.Hα-helixtrans-62.6-36.9175.5-72.9172.9-173.9177.90112.7N145 K146 M147 G153N145-K149 WeakPolarHBondContact O-CD 3.37Å; N145-K149 VanDerWaalsContact O-CG 3.25Å; N145-K149 WeakPolarHBondContact O-CG 3.19Å; N145-K149 PolarHBondContact O-N 3.25Å; K146-K149 PolarHBondContact O-N 3.43Å; M147-K149 VanDerWaalsContact C-N 3.32Å; M147-K149 PolarHBondContact O-N 2.72Å; K149-G153 PolarHBondContact O-N 2.97Å
150S83.8Confident72.8Confident70 Ų7089.5 Ų89.549%0.4951%0.514SS..Hα-helixtrans-67.7-36.3178.877.60000112.2K146 M147 E148 I154K146-S150 PolarHBondContact O-N 3.09Å; M147-S150 WeakPolarHBondContact O-CA 3.4Å; M147-S150 WeakPolarHBondContact O-CB 3.31Å; M147-S150 PolarHBondContact O-N 3.1Å; M147-S150 PolarHBondContact O-OG 3.4Å; E148-S150 VanDerWaalsContact C-N 3.31Å; E148-S150 PolarHBondContact O-N 3.39Å; S150-I154 WeakPolarHBondContact O-CG1 3.32Å; S150-I154 PolarHBondContact O-N 3.01Å
151E79.3Confident70.6Confident139 Ų13987.8 Ų87.865%0.6551%0.514SS*.Hα-helixtrans-74.7-40.5176.3-66.6-173.9160.900112M147 E148 G153 I154 A155M147-E151 PolarHBondContact O-N 2.7Å; E148-E151 PolarHBondContact O-N 2.9Å; E151-G153 VanDerWaalsContact C-N 3.25Å; E151-G153 PolarHBondContact O-N 3.39Å; E151-I154 WeakPolarHBondContact O-CB 3.31Å; E151-I154 PolarHBondContact O-N 3.28Å; E151-A155 PolarHBondContact O-N 2.92Å
152A67.9Low68.5Low64 Ų6492.1 Ų92.153%0.52954%0.541SS..Hα-helixtrans-61.2-34.3173.400000112.3E148 I154 A155 G156E148-A152 WeakPolarHBondContact O-CB 3.03Å; E148-A152 PolarHBondContact O-N 2.98Å; A152-I154 VanDerWaalsContact C-N 3.27Å; A152-I154 PolarHBondContact O-N 3.14Å; A152-A155 PolarHBondContact O-N 3.07Å; A152-G156 PolarHBondContact O-N 2.93Å
153G55.4Low66.3Low54 Ų5492.5 Ų92.556%0.55755%0.549SS*.Hα-helixtrans-66.3-23.3173.200000114.4K149 E151K149-G153 PolarHBondContact O-N 2.97Å; E151-G153 VanDerWaalsContact C-N 3.25Å; E151-G153 PolarHBondContact O-N 3.39Å
154I52.1Low64.2Low123 Ų12393 Ų9363%0.63155%0.554SS**Hα-helixtrans-82.6-31.2176.1-64.5165.1000110.9S150 E151 A152 G156S150-I154 WeakPolarHBondContact O-CG1 3.32Å; S150-I154 PolarHBondContact O-N 3.01Å; E151-I154 WeakPolarHBondContact O-CB 3.31Å; E151-I154 PolarHBondContact O-N 3.28Å; A152-I154 VanDerWaalsContact C-N 3.27Å; A152-I154 PolarHBondContact O-N 3.14Å; I154-G156 VanDerWaalsContact C-N 3.33Å; I154-G156 PolarHBondContact O-N 3.14Å
155A50.7Low62.3Low91 Ų9195.2 Ų95.275%0.75257%0.57SS**Hα-helixtrans-72.8-21.9178.200000114E151 A152E151-A155 PolarHBondContact O-N 2.92Å; A152-A155 PolarHBondContact O-N 3.07Å
156G47.8Very low60.4Low69 Ų69102.9 Ų102.971%0.71160%0.603SS**THydrogen-bonded Turntrans-87.5-12.2179.300000115.4A152 I154A152-G156 PolarHBondContact O-N 2.93Å; I154-G156 VanDerWaalsContact C-N 3.33Å; I154-G156 PolarHBondContact O-N 3.14Å
157A47.9Very low58.4Low41 Ų41102.8 Ų102.834%0.33961%0.609SS.*SBendtrans-93.9128.6174.100000109.3A159A157-A159 PolarHBondContact O-N 2.84Å; A157-A159 VanDerWaalsContact O-N 3.15Å
158P46.7Very low56.3Low97 Ų97103.1 Ų103.163%0.6361%0.611SS**  trans-57.6127.1177.322.5-30.6000109.1R160 A161P158-R160 PolarHBondContact O-N 2.9Å; P158-A161 PolarHBondContact O-N 3.3Å
159A49Very low54.8Low84 Ų84105.3 Ų105.369%0.69463%0.626SS**Hα-helixtrans-51.1-18.2-176.200000114.7A157 A161A157-A159 PolarHBondContact O-N 2.84Å; A157-A159 VanDerWaalsContact O-N 3.15Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 3.32Å
160R47.1Very low53.2Low229 Ų229103.7 Ų103.786%0.86463%0.625SS**Hα-helixtrans-69.1-22.8172.5-78.9-176174.2175.4-1114.6P158 A164P158-R160 PolarHBondContact O-N 2.9Å; R160-A164 WeakPolarHBondContact O-CB 3.23Å
161A48.8Very low51.6Low49 Ų49105.8 Ų105.841%0.40564%0.636SS.*Hα-helixtrans-76.5-41.5-179.100000111.5P158 A159 V165P158-A161 PolarHBondContact O-N 3.3Å; A159-A161 VanDerWaalsContact C-N 3.33Å; A159-A161 PolarHBondContact O-N 3.32Å; A161-V165 WeakPolarHBondContact O-CG2 3.39Å
162V48.4Very low50.1Low92 Ų92108.3 Ų108.356%0.55865%0.648SS**Hα-helixtrans-75-35.2-170.6-1670000112.5
163S47.3Very low49Very low84 Ų84113.4 Ų113.459%0.58766%0.663SS**Hα-helixtrans-78.9-25.6178.9-47.10000113.5
164A46.8Very low48.4Very low45 Ų45116.1 Ų116.137%0.37267%0.671SS.*Hα-helixtrans-79.9-31.1-177.100000113.1R160 M168R160-A164 WeakPolarHBondContact O-CB 3.23Å; A164-M168 HydrophobicContact CB-CE 4.33Å; A164-M168 VanDerWaalsContact O-CE 3.24Å; A164-M168 WeakPolarHBondContact O-CE 3.49Å; A164-M168 WeakPolarHBondContact O-CG 3.22Å
165V50.3Low48.3Very low103 Ų103121.9 Ų121.962%0.62469%0.685SS**Hα-helixtrans-78.3-24.3179-128.90000113A161A161-V165 WeakPolarHBondContact O-CG2 3.39Å
166K48.7Very low48Very low191 Ų191124.8 Ų124.883%0.8369%0.688SS**Hα-helixtrans-81.9-19.4-176.9-138.3175-175.2178.90113.7
167N48Very low48.1Very low148 Ų148128.5 Ų128.579%0.79169%0.689SS**SBendtrans-115.23.1-175.4-76.7-14.8000114.5N169N167-N169 PolarHBondContact O-N 2.87Å
168M46.2Very low48Very low115 Ų115134.1 Ų134.157%0.56771%0.714SS**  trans-90.4103.6171.1-79-167.8-80.400109.7A164 L170A164-M168 HydrophobicContact CB-CE 4.33Å; A164-M168 VanDerWaalsContact O-CE 3.24Å; A164-M168 WeakPolarHBondContact O-CE 3.49Å; A164-M168 WeakPolarHBondContact O-CG 3.22Å; M168-L170 HydrophobicContact CB-CD1 3.78Å; M168-L170 HydrophobicContact CB-CG 4.46Å; M168-L170 PolarHBondContact O-N 3.29Å
169N54.2Low47.8Very low166 Ų166135.8 Ų135.889%0.88872%0.716SS**  trans-63.389.5149.7-93.7-13.5000106.7N167 P171N167-N169 PolarHBondContact O-N 2.87Å; N169-P171 WeakPolarHBondContact O-CD 3.46Å
170L51.7Low47.7Very low124 Ų124134.8 Ų134.865%0.64971%0.714SS**PPolyproline II helixtrans-65.6123.5173-86.698.7000108.4M168M168-L170 HydrophobicContact CB-CD1 3.78Å; M168-L170 HydrophobicContact CB-CG 4.46Å; M168-L170 PolarHBondContact O-N 3.29Å
171P48.8Very low47.8Very low113 Ų113132 Ų13273%0.73472%0.716SS**PPolyproline II helixtrans-65.7135.6163.625.7-27.4000108.6N169 M173N169-P171 WeakPolarHBondContact O-CD 3.46Å; P171-M173 PolarHBondContact O-N 3.17Å; P171-M173 VanDerWaalsContact O-N 3.13Å
172E48.5Very low47.8Very low193 Ų193136.2 Ų136.290%0.90273%0.73SS**PPolyproline II helixtrans-54.1118.9176.2-68-172151.900109.9
173M45.1Very low47.5Very low171 Ų171137.6 Ų137.684%0.84274%0.744SS**PPolyproline II helixtrans-65129.1175.8-83.3-166.3-176.400110P171 R175P171-M173 PolarHBondContact O-N 3.17Å; P171-M173 VanDerWaalsContact O-N 3.13Å; M173-R175 PolarHBondContact O-N 3.09Å
174P41.6Very low47.5Very low110 Ų110140.3 Ų140.371%0.71475%0.751SS**PPolyproline II helixtrans-65.6128.9176.824.7-31.3000110.8N176P174-N176 VanDerWaalsContact C-N 3.25Å; P174-N176 PolarHBondContact O-N 3.28Å; P174-N176 VanDerWaalsContact O-N 3.08Å
175R50.8Low47.6Very low244 Ų244147.7 Ų147.792%0.92177%0.774SS**SBendtrans-70.44.5-169.2-88.6-174.1-175.9165.83.6117M173M173-R175 PolarHBondContact O-N 3.09Å
176N45.3Very low47.6Very low153 Ų153148.7 Ų148.782%0.81878%0.78SS**  trans-156.3118.5177.4-86-44.4000111.3P174P174-N176 VanDerWaalsContact C-N 3.25Å; P174-N176 PolarHBondContact O-N 3.28Å; P174-N176 VanDerWaalsContact O-N 3.08Å
177I49.4Very low47.5Very low146 Ų146144.9 Ų144.975%0.74978%0.775SS**  trans-105.9109.8162.8-58.7173.1000105.7I179I177-I179 HydrophobicContact CG2-CD1 3.85Å; I177-I179 HydrophobicContact CG2-CG1 4Å
178N45.9Very low47.6Very low160 Ų160145.7 Ų145.786%0.85678%0.78SS**  trans-97.6104.6172.8-154-12.4000107.6
179I42.9Very low48Very low132 Ų132147.9 Ų147.968%0.67779%0.792SS**  trans-114.5129.4168-74.8166.9000105.6I177I177-I179 HydrophobicContact CG2-CD1 3.85Å; I177-I179 HydrophobicContact CG2-CG1 4Å
180G45Very low47.7Very low62 Ų62145.1 Ų145.164%0.63978%0.784SS**THydrogen-bonded Turntrans-45.9141.1-174.200000114.7I182G180-I182 PolarHBondContact O-N 2.8Å
181D50.7Low47.5Very low170 Ų170144.6 Ų144.691%0.90979%0.79SS**THydrogen-bonded Turntrans58.614.2164.5-65.3-17.9000121.2
182I48.2Very low47.3Very low138 Ų138148.7 Ų148.771%0.70880%0.797SS**  trans-132.997.7163.2-51.1178.6000111.4G180 I184G180-I182 PolarHBondContact O-N 2.8Å; I182-I184 HydrophobicContact CG2-CD1 4.47Å; I182-I184 HydrophobicContact CG2-CG1 3.89Å; I182-I184 PolarHBondContact O-N 3.31Å; I182-I184 VanDerWaalsContact O-N 3.16Å
183S42.8Very low47Very low121 Ų121152.7 Ų152.785%0.84681%0.811SS**  trans-76.191171.1-55.60000110.7K185S183-K185 PolarHBondContact O-N 3.33Å
184I46.9Very low47.1Very low142 Ų142151.8 Ų151.873%0.72881%0.81SS**  trans-82.5102169.2-56.9178.4000108.5I182 V186I182-I184 HydrophobicContact CG2-CD1 4.47Å; I182-I184 HydrophobicContact CG2-CG1 3.89Å; I182-I184 PolarHBondContact O-N 3.31Å; I182-I184 VanDerWaalsContact O-N 3.16Å; I184-V186 PolarHBondContact O-N 3.3Å
185K49.4Very low47.4Very low200 Ų200153.9 Ų153.987%0.8782%0.815SS**  trans-72.1109.5166.7-88.5-176.81751780109S183S183-K185 PolarHBondContact O-N 3.33Å
186V50.4Low47.2Very low123 Ų123148.9 Ų148.975%0.74581%0.809SS**PPolyproline II helixtrans-71.6128.7167.1-165.20000108.1I184 N188I184-V186 PolarHBondContact O-N 3.3Å; V186-N188 PolarHBondContact O-N 2.93Å
187P45.6Very low47.3Very low112 Ų112148.7 Ų148.773%0.72781%0.808SS**PPolyproline II helixtrans-63.3134.6174.9-18.530.5000110.8L189P187-L189 PolarHBondContact O-N 3.24Å
188N50.7Low47.2Very low165 Ų165148.9 Ų148.988%0.88281%0.812SS**PPolyproline II helixtrans-62.3116.7171.2-94.9-23.8000109.5V186V186-N188 PolarHBondContact O-N 2.93Å
189L53.2Low47.2Very low160 Ų160148.1 Ų148.184%0.83881%0.809SS**PPolyproline II helixtrans-69.5135.9160.1-83.1137000108.5P187 S191P187-L189 PolarHBondContact O-N 3.24Å; L189-S191 PolarHBondContact O-N 3.29Å
190P48.8Very low47.5Very low108 Ų108149.3 Ų149.370%0.70182%0.819SS**PPolyproline II helixtrans-62.4127.7176.424.1-30.5000110F192P190-F192 PolarHBondContact O-N 2.84Å
191S47.3Very low47.7Very low113 Ų113156 Ų15679%0.7983%0.832SS**PPolyproline II helixtrans-63.7119.8171.5-176.20000108.9L189 K193L189-S191 PolarHBondContact O-N 3.29Å; S191-K193 PolarHBondContact O-N 2.98Å
192F43.9Very low47.5Very low200 Ų200154.8 Ų154.888%0.87783%0.826SS**PPolyproline II helixtrans-66.6121.4164.3-76.2-86.7000108.4P190P190-F192 PolarHBondContact O-N 2.84Å
193K42.6Very low47.4Very low276 Ų276156.4 Ų156.4100%1.284%0.837SS**  trans-920153.5-95.3-172.1176.3-177.30107.7S191S191-K193 PolarHBondContact O-N 2.98Å

Retrieved 193 of 193 residues in 1483.2 ms (Link to these results)

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