A0A087X9D3_POEFO Loading...

Adaptor related protein complex 3 subunit sigma 1

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 (A0A3B3U243), UniProt , Accession A0A087X9D3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M90.1Very high95Very high61 Ų6127.6 Ų27.630%0.313%0.134SC..  0164.7066.6-173.6-67.500111.1V77 D78 E81 G126M1-V77 WeakPolarHBondContact O-CA 3.31Å; M1-D78 VanDerWaalsContact CG-OD2 3.26Å; M1-D78 WeakPolarHBondContact CG-OD2 3.43Å; M1-D78 PolarHBondContact N-OD2 2.86Å; M1-D78 PolarHBondContact O-N 2.91Å; M1-E81 WeakPolarHBondContact CA-OE1 3.45Å; M1-E81 PolarHBondContact N-OE1 3.38Å; M1-G126 VanDerWaalsContact CE-O 3.27Å; M1-G126 WeakPolarHBondContact CE-O 3.46Å
2I94.7Very high94.6Very high2 Ų226.9 Ų26.91%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-79.1119.8172.1-57.4169.4000108.6I5 Y20 F75 V77 I86 L89 V124 G127 V129I2-I5 HydrophobicContact CG2-CD1 4.08Å; I2-I5 HydrophobicContact CG2-CG1 3.75Å; I2-Y20 HydrophobicContact CB-CD2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 4.02Å; I2-Y20 HydrophobicContact CG2-CE2 3.92Å; I2-Y20 WeakPolarHBondContact O-CD2 3.33Å; I2-F75 HydrophobicContact CD1-CD2 4.18Å; I2-F75 HydrophobicContact CD1-CE2 4.36Å; I2-F75 HydrophobicContact CG2-CD2 4.41Å; I2-V77 HydrophobicContact CB-CG1 4.4Å; I2-V77 HydrophobicContact CG1-CG1 3.95Å; I2-V77 HydrophobicContact CG2-CG1 4.44Å; I2-I86 HydrophobicContact CD1-CD1 4.07Å; I2-I86 HydrophobicContact CG1-CD1 4.01Å; I2-L89 HydrophobicContact CD1-CD2 3.94Å; I2-V124 HydrophobicContact CD1-CG1 3.94Å; I2-V124 HydrophobicContact CD1-CG2 4.11Å; I2-G127 WeakPolarHBondContact CB-O 3.31Å; I2-G127 PolarHBondContact N-O 3.14Å; I2-G127 WeakPolarHBondContact O-CA 3.09Å; I2-V129 HydrophobicContact CD1-CG2 4.02Å
3K93.4Very high94.6Very high10 Ų1034.7 Ų34.74%0.04317%0.172CC..EExtended strand (participates in β ladder)trans-86.9-41.9179.5-63.8-164.2174.5-490112.6Y20 E21 I56 C76 D78K3-Y20 PolarHBondContact O-N 3.46Å; K3-E21 WeakPolarHBondContact CD-OE2 3.44Å; K3-E21 IonicContact NZ-OE1 2.69Å; K3-E21 PolarHBondContact NZ-OE1 3Å; K3-E21 IonicContact NZ-OE2 3.19Å; K3-E21 PolarHBondContact NZ-OE2 3.04Å; K3-I56 HydrophobicContact CB-CG2 4.21Å; K3-I56 HydrophobicContact CD-CB 4.34Å; K3-I56 HydrophobicContact CD-CG2 3.35Å; K3-I56 HydrophobicContact CG-CG2 4.46Å; K3-C76 PolarHBondContact N-O 3.03Å; K3-D78 WeakPolarHBondContact CE-OD1 3.48Å; K3-D78 IonicContact NZ-OD1 3.65Å; K3-D78 PolarHBondContact NZ-OD1 3.16Å
4A94.9Very high94.7Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-153.3150.618000000112.1K18 F19 C76A4-K18 CarbonylContact C-O 3.49Å; A4-K18 WeakPolarHBondContact CA-O 3.13Å; A4-F19 HydrophobicContact CB-CD1 3.59Å; A4-F19 HydrophobicContact CB-CE1 3.87Å; A4-F19 HydrophobicContact CB-CG 4.3Å; A4-C76 HydrophobicContact CB-CB 4.07Å; A4-C76 PolarHBondContact N-O 3.49Å; A4-C76 PolarHBondContact O-N 3.28Å
5I97.3Very high94.8Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-124.6122172.7-64.1172.3000107.9I2 K18 Y20 F75 L120 V124I2-I5 HydrophobicContact CG2-CD1 4.08Å; I2-I5 HydrophobicContact CG2-CG1 3.75Å; I5-K18 PolarHBondContact N-O 2.94Å; I5-K18 PolarHBondContact O-N 3.32Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.02Å; I5-F75 HydrophobicContact CB-CE1 4.45Å; I5-F75 HydrophobicContact CD1-CD2 3.92Å; I5-F75 HydrophobicContact CD1-CE1 4.34Å; I5-F75 HydrophobicContact CD1-CE2 3.41Å; I5-F75 VanDerWaalsContact CD1-CE2 3.41Å; I5-F75 HydrophobicContact CD1-CZ 3.66Å; I5-F75 HydrophobicContact CG1-CD1 4.21Å; I5-F75 HydrophobicContact CG1-CD2 3.79Å; I5-F75 HydrophobicContact CG1-CE1 4.16Å; I5-F75 HydrophobicContact CG1-CE2 3.75Å; I5-F75 HydrophobicContact CG1-CG 4.02Å; I5-F75 HydrophobicContact CG1-CZ 3.95Å; I5-F75 HydrophobicContact CG2-CD1 4.02Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CZ 3.88Å; I5-L120 HydrophobicContact CB-CD2 4.36Å; I5-L120 HydrophobicContact CD1-CD1 3.69Å; I5-L120 HydrophobicContact CD1-CD2 4.24Å; I5-L120 HydrophobicContact CD1-CG 4.49Å; I5-L120 HydrophobicContact CG2-CD2 4.22Å; I5-V124 HydrophobicContact CD1-CB 4.37Å; I5-V124 HydrophobicContact CD1-CG1 4.35Å; I5-V124 HydrophobicContact CD1-CG2 4.26Å
6L96.9Very high94.9Very high0 Ų036.1 Ų36.10%018%0.18CC..EExtended strand (participates in β ladder)trans-125.2134.1-174.2-55.6178.2000109.3F8 F19 I31 I32 T35 V74L6-F8 HydrophobicContact CB-CD1 4.17Å; L6-F8 HydrophobicContact CB-CE1 4.08Å; L6-F19 HydrophobicContact CD2-CE2 4.26Å; L6-F19 HydrophobicContact CD2-CZ 3.99Å; L6-I31 HydrophobicContact CD1-CG2 4.49Å; L6-I32 HydrophobicContact CD1-CG1 4.14Å; L6-I32 HydrophobicContact CD2-CG1 3.98Å; L6-T35 HydrophobicContact CD1-CG2 4.17Å; L6-V74 HydrophobicContact CB-CB 4.48Å; L6-V74 PolarHBondContact N-O 3.4Å; L6-V74 PolarHBondContact O-N 2.73Å
7I97.7Very high95Very high0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-122127.3166.2-54.1173.7000107.1P14 R15 L16 L71 Y72 F73 F93 L109I7-P14 CarbonylContact O-C 3.54Å; I7-P14 WeakPolarHBondContact O-CA 3.43Å; I7-R15 HydrophobicContact CB-CB 4.4Å; I7-R15 HydrophobicContact CG2-CB 4.15Å; I7-R15 PolarHBondContact O-N 3.37Å; I7-L16 HydrophobicContact CB-CB 3.8Å; I7-L16 HydrophobicContact CD1-CB 3.73Å; I7-L16 HydrophobicContact CD1-CD2 3.58Å; I7-L16 HydrophobicContact CD1-CG 4.32Å; I7-L16 HydrophobicContact CG1-CB 3.8Å; I7-L16 HydrophobicContact CG1-CD2 4.06Å; I7-L16 PolarHBondContact N-O 3.31Å; I7-L16 PolarHBondContact O-N 3.13Å; I7-L16 VanDerWaalsContact O-N 3.15Å; I7-L71 HydrophobicContact CG2-CB 4.24Å; I7-L71 HydrophobicContact CG2-CD1 4.29Å; I7-L71 HydrophobicContact CG2-CD2 4.22Å; I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.42Å; I7-F73 HydrophobicContact CD1-CD1 3.76Å; I7-F73 HydrophobicContact CD1-CE1 3.4Å; I7-F73 VanDerWaalsContact CD1-CE1 3.4Å; I7-F73 HydrophobicContact CD1-CZ 4.05Å; I7-F73 HydrophobicContact CG1-CD1 3.81Å; I7-F73 HydrophobicContact CG1-CE1 3.95Å; I7-F73 HydrophobicContact CG1-CG 4.33Å; I7-F73 HydrophobicContact CG2-CE2 4.35Å; I7-F73 HydrophobicContact CG2-CZ 4.36Å; I7-F93 HydrophobicContact CD1-CE1 3.91Å; I7-F93 HydrophobicContact CD1-CZ 4.36Å; I7-L109 HydrophobicContact CD1-CD2 4.06Å; I7-L109 HydrophobicContact CG2-CD2 4.18Å
8F96.4Very high95.1Very high1 Ų139 Ų390%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-142.9156.1174.543.8-102.3000110.9L6 K13 T35 F36 V39 Y72 V74L6-F8 HydrophobicContact CB-CD1 4.17Å; L6-F8 HydrophobicContact CB-CE1 4.08Å; F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.46Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; F8-T35 HydrophobicContact CE1-CG2 4Å; F8-T35 HydrophobicContact CZ-CG2 4.07Å; F8-F36 HydrophobicContact CD2-CB 4.31Å; F8-F36 AromaticContact CD2-CD2 3.5Å; F8-F36 HydrophobicContact CD2-CD2 3.5Å; F8-F36 HydrophobicContact CD2-CE2 4.3Å; F8-F36 HydrophobicContact CD2-CG 4.34Å; 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-CE2 4.5Å; F8-F36 HydrophobicContact CE2-CG 4.28Å; F8-F36 HydrophobicContact CG-CD2 4.43Å; F8-F36 HydrophobicContact CZ-CB 4.16Å; F8-F36 HydrophobicContact CZ-CD2 4.46Å; F8-V39 HydrophobicContact CE2-CG2 3.49Å; F8-V39 VanDerWaalsContact CE2-CG2 3.49Å; F8-V39 HydrophobicContact CZ-CG2 3.56Å; F8-Y72 AromaticContact CD2-CD2 3.99Å; F8-Y72 HydrophobicContact CD2-CD2 3.99Å; F8-Y72 HydrophobicContact CD2-CG 4.15Å; F8-Y72 AromaticContact CE2-CD2 3.93Å; F8-Y72 HydrophobicContact CE2-CD2 3.93Å; F8-Y72 AromaticContact CE2-CG 3.74Å; F8-Y72 HydrophobicContact CE2-CG 3.74Å; F8-Y72 PolarHBondContact N-O 3.3Å; F8-Y72 PolarHBondContact O-N 2.82Å; F8-V74 HydrophobicContact CE1-CB 4.42Å; F8-V74 HydrophobicContact CE1-CG2 3.78Å; F8-V74 HydrophobicContact CE2-CG2 4.3Å; F8-V74 HydrophobicContact CZ-CB 4.49Å; F8-V74 HydrophobicContact CZ-CG2 3.46Å; F8-V74 VanDerWaalsContact CZ-CG2 3.46Å
9N95.6Very high95.1Very high8 Ų838.4 Ų38.44%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-84.8179.8-179.475.4-1.8000113.1H11 G12 K13 R15 F36 T70 L71 E106N9-H11 PolarHBondContact O-N 3.25Å; N9-H11 WeakPolarHBondContact OD1-CA 3.46Å; N9-H11 WeakPolarHBondContact OD1-CB 3.45Å; N9-H11 PolarHBondContact OD1-N 3.18Å; N9-G12 PolarHBondContact O-N 3.29Å; N9-G12 PolarHBondContact OD1-N 3.04Å; N9-K13 PolarHBondContact N-O 2.65Å; N9-K13 WeakPolarHBondContact OD1-CB 3.48Å; N9-K13 PolarHBondContact OD1-N 3.02Å; N9-R15 PolarHBondContact ND2-NH2 3.38Å; N9-F36 WeakPolarHBondContact O-CE2 3.37Å; N9-T70 CarbonylContact C-O 3.49Å; N9-T70 WeakPolarHBondContact CA-O 3.43Å; N9-L71 HydrophobicContact CB-CD2 4.01Å; N9-E106 VanDerWaalsContact CB-OE1 3.25Å; N9-E106 WeakPolarHBondContact CB-OE1 3.45Å; N9-E106 PolarHBondContact ND2-OE1 3.1Å; N9-E106 VanDerWaalsContact ND2-OE1 3.08Å
10N93.8Very high95Very high69 Ų6938.4 Ų38.437%0.36919%0.19SC..THydrogen-bonded Turntrans-59.6-10.1176.8-67.2-16000115.1H67 T70 Y72N10-H67 PolarHBondContact OD1-NE2 2.95Å; N10-T70 PolarHBondContact N-O 3.33Å; N10-T70 PolarHBondContact OD1-O 3.41Å; N10-Y72 VanDerWaalsContact OD1-CE2 3.28Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.42Å
11H93.7Very high94.8Very high153 Ų15339.3 Ų39.371%0.70819%0.194SC*.THydrogen-bonded Turntrans-105.45.5176.3-56.6-71.5000113.1N9 K13N9-H11 PolarHBondContact O-N 3.25Å; N9-H11 WeakPolarHBondContact OD1-CA 3.46Å; N9-H11 WeakPolarHBondContact OD1-CB 3.45Å; N9-H11 PolarHBondContact OD1-N 3.18Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.32Å
12G90.7Very high94.7Very high19 Ų1944.7 Ų44.720%0.19622%0.218CC..SBendtrans75.115.5-17900000114.1N9 F36N9-G12 PolarHBondContact O-N 3.29Å; N9-G12 PolarHBondContact OD1-N 3.04Å; G12-F36 VanDerWaalsContact CA-CD2 3.49Å; G12-F36 VanDerWaalsContact CA-CE2 3.5Å; G12-F36 VanDerWaalsContact N-CE2 3.29Å
13K94.8Very high94.5Very high128 Ų12845.9 Ų45.956%0.55722%0.223SC*.  trans-80.6121.5173.6-66.3-173.7178-178.70109.4F8 N9 H11F8-K13 VanDerWaalsContact CA-O 3.23Å; F8-K13 WeakPolarHBondContact CA-O 3.46Å; F8-K13 WeakPolarHBondContact CB-O 3.48Å; N9-K13 PolarHBondContact N-O 2.65Å; N9-K13 WeakPolarHBondContact OD1-CB 3.48Å; N9-K13 PolarHBondContact OD1-N 3.02Å; H11-K13 VanDerWaalsContact C-N 3.29Å; H11-K13 PolarHBondContact O-N 3.32Å
14P95.7Very high94.4Very high65 Ų6550.6 Ų50.642%0.42225%0.248SC..EExtended strand (participates in β ladder)trans-66.8136.8176.927.6-33000110.9I7I7-P14 CarbonylContact O-C 3.54Å; I7-P14 WeakPolarHBondContact O-CA 3.43Å
15R96.3Very high94.2Very high58 Ų5857.8 Ų57.822%0.21928%0.282CS..EExtended strand (participates in β ladder)trans-107.9-30.3171.7-55.8-50.2-177.2-173.48.2111.3I7 N9 L71 E106I7-R15 HydrophobicContact CB-CB 4.4Å; I7-R15 HydrophobicContact CG2-CB 4.15Å; I7-R15 PolarHBondContact O-N 3.37Å; N9-R15 PolarHBondContact ND2-NH2 3.38Å; R15-L71 HydrophobicContact CG-CD2 3.86Å; R15-E106 IonicContact CZ-OE1 3.81Å; R15-E106 IonicContact NE-OE1 2.88Å; R15-E106 PolarHBondContact NE-OE1 3.03Å; R15-E106 IonicContact NH2-OE1 3.41Å; R15-E106 PolarHBondContact NH2-OE1 2.96Å
16L96.9Very high94Very high3 Ų363.7 Ų63.72%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-143.1137.6172.1-17170.2000108.4I7 F93 V116 H117 L120I7-L16 HydrophobicContact CB-CB 3.8Å; I7-L16 HydrophobicContact CD1-CB 3.73Å; I7-L16 HydrophobicContact CD1-CD2 3.58Å; I7-L16 HydrophobicContact CD1-CG 4.32Å; I7-L16 HydrophobicContact CG1-CB 3.8Å; I7-L16 HydrophobicContact CG1-CD2 4.06Å; I7-L16 PolarHBondContact N-O 3.31Å; I7-L16 PolarHBondContact O-N 3.13Å; I7-L16 VanDerWaalsContact O-N 3.15Å; L16-F93 HydrophobicContact CD2-CE1 4.22Å; L16-F93 HydrophobicContact CD2-CZ 4.04Å; L16-V116 HydrophobicContact CD1-CG1 3.92Å; L16-V116 HydrophobicContact CD2-CG1 3.96Å; L16-V116 HydrophobicContact CG-CG1 4.47Å; L16-H117 WeakPolarHBondContact CD1-CE1 3.46Å; L16-H117 WeakPolarHBondContact CD1-NE2 3.48Å; L16-L120 HydrophobicContact CD2-CD2 3.86Å
17S96.3Very high93.7Very high40 Ų4065.9 Ų65.928%0.2833%0.327SS..EExtended strand (participates in β ladder)trans-142.9110.3171.9-61.70000108.4
18K96.4Very high93.4Very high85 Ų8568.6 Ų68.637%0.3734%0.34SS..EExtended strand (participates in β ladder)trans-125110.3179.1-175.965.6176.3-175.90109.1A4 I5 Y20 L120A4-K18 CarbonylContact C-O 3.49Å; A4-K18 WeakPolarHBondContact CA-O 3.13Å; I5-K18 PolarHBondContact N-O 2.94Å; I5-K18 PolarHBondContact O-N 3.32Å; K18-Y20 HydrophobicContact CG-CE1 3.97Å; K18-Y20 HydrophobicContact CG-CE2 4.23Å; K18-L120 HydrophobicContact CB-CD2 3.93Å; K18-L120 HydrophobicContact CG-CD2 4.1Å
19F95.3Very high93.3Very high27 Ų2773.4 Ų73.412%0.11836%0.362CS..EExtended strand (participates in β ladder)trans-97135.1171.4-63.1-90.8000109.3A4 L6 Y23 E28 I31 I32A4-F19 HydrophobicContact CB-CD1 3.59Å; A4-F19 HydrophobicContact CB-CE1 3.87Å; A4-F19 HydrophobicContact CB-CG 4.3Å; L6-F19 HydrophobicContact CD2-CE2 4.26Å; L6-F19 HydrophobicContact CD2-CZ 3.99Å; F19-Y23 HydrophobicContact CB-CD2 4.24Å; F19-Y23 AromaticContact CD1-CD2 3.7Å; F19-Y23 HydrophobicContact CD1-CD2 3.7Å; F19-Y23 HydrophobicContact CD1-CE2 4.07Å; F19-Y23 HydrophobicContact CE1-CD2 4.45Å; F19-Y23 HydrophobicContact CG-CD2 4.24Å; F19-E28 HydrophobicContact CD1-CG 4.39Å; F19-E28 HydrophobicContact CD2-CB 4.37Å; F19-E28 HydrophobicContact CD2-CG 3.88Å; F19-E28 WeakPolarHBondContact CD2-OE1 3.27Å; F19-E28 HydrophobicContact CE1-CB 4.44Å; F19-E28 HydrophobicContact CE1-CG 4.26Å; F19-E28 HydrophobicContact CE2-CB 3.72Å; F19-E28 HydrophobicContact CE2-CG 3.74Å; F19-E28 HydrophobicContact CG-CG 4.22Å; F19-E28 HydrophobicContact CZ-CB 3.77Å; F19-E28 HydrophobicContact CZ-CG 3.94Å; F19-I31 HydrophobicContact CE1-CB 4.4Å; F19-I31 HydrophobicContact CE1-CD1 4.15Å; F19-I31 HydrophobicContact CE1-CG2 4.1Å; F19-I32 HydrophobicContact CE2-CD1 4.31Å; F19-I32 HydrophobicContact CZ-CD1 4.27Å; F19-I32 HydrophobicContact CZ-CG1 4.14Å
20Y94.3Very high93.1Very high39 Ų3977 Ų7715%0.15338%0.379CS..SBendtrans-100.8-12.7176.7-64.8-70000112.7I2 K3 I5 K18 V124 G127I2-Y20 HydrophobicContact CB-CD2 4.46Å; I2-Y20 HydrophobicContact CG2-CD2 4.02Å; I2-Y20 HydrophobicContact CG2-CE2 3.92Å; I2-Y20 WeakPolarHBondContact O-CD2 3.33Å; K3-Y20 PolarHBondContact O-N 3.46Å; I5-Y20 HydrophobicContact CD1-CE2 3.79Å; I5-Y20 HydrophobicContact CG1-CE2 4.02Å; K18-Y20 HydrophobicContact CG-CE1 3.97Å; K18-Y20 HydrophobicContact CG-CE2 4.23Å; Y20-V124 HydrophobicContact CE1-CG1 4.17Å; Y20-V124 HydrophobicContact CE2-CG1 3.82Å; Y20-V124 WeakPolarHBondContact OH-CB 3.35Å; Y20-V124 VanDerWaalsContact OH-CG1 3.3Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.47Å; Y20-V124 PolarHBondContact OH-O 2.97Å; Y20-G127 VanDerWaalsContact CG-N 3.28Å
21E89.7Confident92.9Very high58 Ų5873.8 Ų73.827%0.27136%0.362SS..SBendtrans-108.8154.5168.5-68172.7163.300109.1K3 Y23K3-E21 WeakPolarHBondContact CD-OE2 3.44Å; K3-E21 IonicContact NZ-OE1 2.69Å; K3-E21 PolarHBondContact NZ-OE1 3Å; K3-E21 IonicContact NZ-OE2 3.19Å; K3-E21 PolarHBondContact NZ-OE2 3.04Å; E21-Y23 HydrophobicContact CB-CD2 4.4Å; E21-Y23 HydrophobicContact CB-CE2 3.61Å; E21-Y23 VanDerWaalsContact O-CD2 3.3Å; E21-Y23 WeakPolarHBondContact O-CD2 3.25Å; E21-Y23 PolarHBondContact OE2-OH 3.13Å
22H88.6Confident92.9Very high174 Ų17467.5 Ų67.581%0.80633%0.333SS*.  trans-80.6124.3-179.9-174.459.9000110.7
23Y89.1Confident93Very high26 Ų2674 Ų7410%0.10235%0.352CS..  trans-127.7154.6175.2-66.6-73.6000109.9F19 E21 T27 E28 I31 I56F19-Y23 HydrophobicContact CB-CD2 4.24Å; F19-Y23 AromaticContact CD1-CD2 3.7Å; F19-Y23 HydrophobicContact CD1-CD2 3.7Å; F19-Y23 HydrophobicContact CD1-CE2 4.07Å; F19-Y23 HydrophobicContact CE1-CD2 4.45Å; F19-Y23 HydrophobicContact CG-CD2 4.24Å; E21-Y23 HydrophobicContact CB-CD2 4.4Å; E21-Y23 HydrophobicContact CB-CE2 3.61Å; E21-Y23 VanDerWaalsContact O-CD2 3.3Å; E21-Y23 WeakPolarHBondContact O-CD2 3.25Å; E21-Y23 PolarHBondContact OE2-OH 3.13Å; Y23-T27 HydrophobicContact CD1-CG2 3.92Å; Y23-E28 HydrophobicContact CG-CG 4.49Å; Y23-I31 HydrophobicContact CD1-CD1 4.23Å; Y23-I31 HydrophobicContact CE1-CD1 4.34Å; Y23-I31 HydrophobicContact CG-CD1 4.35Å; Y23-I56 HydrophobicContact CE1-CG2 4.38Å; Y23-I56 HydrophobicContact CE2-CG2 4.39Å; Y23-I56 WeakPolarHBondContact OH-CG2 3.5Å
24N91.8Very high92.8Very high109 Ų10970.5 Ų70.558%0.58334%0.337SS*.  trans-72.1150.1168.6-66-1.3000109.2D26 T27 E28N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 3.14Å; N24-T27 CarbonylContact O-C 3.52Å; N24-T27 WeakPolarHBondContact O-CA 3.46Å; N24-T27 WeakPolarHBondContact O-CB 3.26Å; N24-T27 PolarHBondContact O-N 3.28Å; N24-E28 PolarHBondContact O-N 2.96Å
25E92.1Very high92.6Very high151 Ų15167.4 Ų67.471%0.70632%0.317SS*.Hα-helixtrans-54.2-41.3-179.4-66.5-177.4178.800112.9T27 E28 Q29E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.33Å; E25-E28 PolarHBondContact O-N 3.13Å; E25-Q29 WeakPolarHBondContact O-CG 3.31Å; E25-Q29 PolarHBondContact O-N 2.93Å
26D92.2Very high92.5Very high124 Ų12466.6 Ų66.666%0.66332%0.315SS*.Hα-helixtrans-60.1-39.7176.4-69.8-44.5000112.1N24 Q30N24-D26 VanDerWaalsContact C-N 3.26Å; N24-D26 PolarHBondContact O-N 3.14Å; D26-Q30 WeakPolarHBondContact O-CB 3.27Å; D26-Q30 PolarHBondContact O-N 3.01Å
27T90.8Very high92.2Very high47 Ų4771.1 Ų71.129%0.28834%0.336SS..Hα-helixtrans-70.5-44.3178.2-53.60000110.8Y23 N24 E25 Q29 Q30 I31Y23-T27 HydrophobicContact CD1-CG2 3.92Å; N24-T27 CarbonylContact O-C 3.52Å; N24-T27 WeakPolarHBondContact O-CA 3.46Å; N24-T27 WeakPolarHBondContact O-CB 3.26Å; N24-T27 PolarHBondContact O-N 3.28Å; E25-T27 VanDerWaalsContact C-N 3.28Å; E25-T27 PolarHBondContact O-N 3.33Å; T27-Q29 VanDerWaalsContact C-N 3.33Å; T27-Q29 PolarHBondContact O-N 2.93Å; T27-Q30 WeakPolarHBondContact O-CB 3.43Å; T27-Q30 PolarHBondContact O-N 3.2Å; T27-Q30 VanDerWaalsContact O-N 3.16Å; T27-I31 HydrophobicContact CG2-CD1 3.94Å; T27-I31 HydrophobicContact CG2-CG1 4.44Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.04Å
28E92.3Very high91.9Very high56 Ų5672.4 Ų72.426%0.26234%0.339SS..Hα-helixtrans-58-46.2175.2-67.8-171.4165.700111.4F19 Y23 N24 E25 Q30 I31 I32F19-E28 HydrophobicContact CD1-CG 4.39Å; F19-E28 HydrophobicContact CD2-CB 4.37Å; F19-E28 HydrophobicContact CD2-CG 3.88Å; F19-E28 WeakPolarHBondContact CD2-OE1 3.27Å; F19-E28 HydrophobicContact CE1-CB 4.44Å; F19-E28 HydrophobicContact CE1-CG 4.26Å; F19-E28 HydrophobicContact CE2-CB 3.72Å; F19-E28 HydrophobicContact CE2-CG 3.74Å; F19-E28 HydrophobicContact CG-CG 4.22Å; F19-E28 HydrophobicContact CZ-CB 3.77Å; F19-E28 HydrophobicContact CZ-CG 3.94Å; Y23-E28 HydrophobicContact CG-CG 4.49Å; N24-E28 PolarHBondContact O-N 2.96Å; E25-E28 PolarHBondContact O-N 3.13Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.44Å; E28-I31 PolarHBondContact O-N 2.68Å; E28-I32 WeakPolarHBondContact O-CG1 3.37Å; E28-I32 PolarHBondContact O-N 3.46Å
29Q92.5Very high91.6Very high103 Ų10368.4 Ų68.448%0.48132%0.322SS..Hα-helixtrans-64.9-36.1176.7-71.1-175.819.800112.7E25 T27 R33E25-Q29 WeakPolarHBondContact O-CG 3.31Å; E25-Q29 PolarHBondContact O-N 2.93Å; T27-Q29 VanDerWaalsContact C-N 3.33Å; T27-Q29 PolarHBondContact O-N 2.93Å; Q29-R33 WeakPolarHBondContact O-CB 3.43Å; Q29-R33 VanDerWaalsContact O-CG 3.3Å; Q29-R33 WeakPolarHBondContact O-CG 3.48Å; Q29-R33 PolarHBondContact O-N 3.24Å; Q29-R33 VanDerWaalsContact O-N 3.14Å; Q29-R33 PolarHBondContact O-NE 2.96Å; Q29-R33 VanDerWaalsContact O-NE 3.16Å
30Q91.6Very high91.3Very high82 Ų8269 Ų6938%0.38333%0.33SS..Hα-helixtrans-63.7-48.9173.6-178.1174.3-9.400110.9D26 T27 E28 I32 R33 E34D26-Q30 WeakPolarHBondContact O-CB 3.27Å; D26-Q30 PolarHBondContact O-N 3.01Å; T27-Q30 WeakPolarHBondContact O-CB 3.43Å; T27-Q30 PolarHBondContact O-N 3.2Å; T27-Q30 VanDerWaalsContact O-N 3.16Å; E28-Q30 VanDerWaalsContact C-N 3.33Å; E28-Q30 PolarHBondContact O-N 3.44Å; Q30-I32 VanDerWaalsContact C-N 3.33Å; Q30-I32 PolarHBondContact O-N 3.37Å; Q30-R33 PolarHBondContact O-N 2.96Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; Q30-E34 HydrophobicContact CG-CG 4.34Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.49Å; Q30-E34 PolarHBondContact NE2-OE1 2.93Å; Q30-E34 WeakPolarHBondContact O-CG 3.26Å; Q30-E34 PolarHBondContact O-N 3.41Å
31I91Very high90.9Very high2 Ų274.2 Ų74.21%0.0135%0.353CS..Hα-helixtrans-56.8-46.4178.6-68.4164000110.8L6 F19 Y23 T27 E28 R33 E34 T35 I56L6-I31 HydrophobicContact CD1-CG2 4.49Å; F19-I31 HydrophobicContact CE1-CB 4.4Å; F19-I31 HydrophobicContact CE1-CD1 4.15Å; F19-I31 HydrophobicContact CE1-CG2 4.1Å; Y23-I31 HydrophobicContact CD1-CD1 4.23Å; Y23-I31 HydrophobicContact CE1-CD1 4.34Å; Y23-I31 HydrophobicContact CG-CD1 4.35Å; T27-I31 HydrophobicContact CG2-CD1 3.94Å; T27-I31 HydrophobicContact CG2-CG1 4.44Å; T27-I31 VanDerWaalsContact O-CG1 3.26Å; T27-I31 WeakPolarHBondContact O-CG1 3.45Å; T27-I31 PolarHBondContact O-N 3.04Å; E28-I31 PolarHBondContact O-N 2.68Å; I31-R33 PolarHBondContact O-N 3.4Å; I31-E34 PolarHBondContact O-N 3.11Å; I31-T35 WeakPolarHBondContact O-CB 3.11Å; I31-T35 PolarHBondContact O-N 3.35Å; I31-T35 PolarHBondContact O-OG1 2.81Å; I31-I56 HydrophobicContact CD1-CG1 3.97Å; I31-I56 HydrophobicContact CG1-CG1 4Å; I31-I56 HydrophobicContact CG2-CD1 3.75Å; I31-I56 HydrophobicContact CG2-CG1 4.01Å
32I93.2Very high90.8Very high22 Ų2275.6 Ų75.611%0.11336%0.356CS..Hα-helixtrans-60.6-47.3178.5-68.6165.3000110.9L6 F19 E28 Q30 T35 F36L6-I32 HydrophobicContact CD1-CG1 4.14Å; L6-I32 HydrophobicContact CD2-CG1 3.98Å; F19-I32 HydrophobicContact CE2-CD1 4.31Å; F19-I32 HydrophobicContact CZ-CD1 4.27Å; F19-I32 HydrophobicContact CZ-CG1 4.14Å; E28-I32 WeakPolarHBondContact O-CG1 3.37Å; E28-I32 PolarHBondContact O-N 3.46Å; Q30-I32 VanDerWaalsContact C-N 3.33Å; Q30-I32 PolarHBondContact O-N 3.37Å; I32-T35 PolarHBondContact O-N 3.46Å; I32-F36 WeakPolarHBondContact O-CB 3.3Å; I32-F36 PolarHBondContact O-N 3.09Å
33R91.9Very high90.7Very high156 Ų15671.9 Ų71.959%0.58934%0.342SS*.Hα-helixtrans-63.6-44.6-178.6-75.8-178.7-68.7-159.5-0.7112.3Q29 Q30 I31 H37Q29-R33 WeakPolarHBondContact O-CB 3.43Å; Q29-R33 VanDerWaalsContact O-CG 3.3Å; Q29-R33 WeakPolarHBondContact O-CG 3.48Å; Q29-R33 PolarHBondContact O-N 3.24Å; Q29-R33 VanDerWaalsContact O-N 3.14Å; Q29-R33 PolarHBondContact O-NE 2.96Å; Q29-R33 VanDerWaalsContact O-NE 3.16Å; Q30-R33 PolarHBondContact O-N 2.96Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; I31-R33 PolarHBondContact O-N 3.4Å; R33-H37 WeakPolarHBondContact O-CB 3.44Å; R33-H37 PolarHBondContact O-N 2.97Å
34E90.2Very high90.3Very high53 Ų5378.6 Ų78.625%0.24837%0.374CS..Hα-helixtrans-69.5-42.1179.7-72.2171.7168.300111.4Q30 I31 F36 H37 L38 L55Q30-E34 HydrophobicContact CG-CG 4.34Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.49Å; Q30-E34 PolarHBondContact NE2-OE1 2.93Å; Q30-E34 WeakPolarHBondContact O-CG 3.26Å; Q30-E34 PolarHBondContact O-N 3.41Å; I31-E34 PolarHBondContact O-N 3.11Å; E34-F36 VanDerWaalsContact C-N 3.34Å; E34-F36 PolarHBondContact O-N 3.15Å; E34-H37 WeakPolarHBondContact O-CB 3.45Å; E34-H37 PolarHBondContact O-N 3.04Å; E34-H37 VanDerWaalsContact O-N 3.15Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 3.43Å; E34-L55 WeakPolarHBondContact OE2-CD1 3.41Å; E34-L55 WeakPolarHBondContact OE2-CD2 3.21Å; E34-L55 WeakPolarHBondContact OE2-CG 2.85Å
35T92.4Very high89.9Confident0 Ų080.6 Ų80.60%039%0.385CS..Hα-helixtrans-59.2-46.7176.1-59.90000110.7L6 F8 I31 I32 H37 L38 V39 L63 V74L6-T35 HydrophobicContact CD1-CG2 4.17Å; F8-T35 HydrophobicContact CE1-CG2 4Å; F8-T35 HydrophobicContact CZ-CG2 4.07Å; I31-T35 WeakPolarHBondContact O-CB 3.11Å; I31-T35 PolarHBondContact O-N 3.35Å; I31-T35 PolarHBondContact O-OG1 2.81Å; I32-T35 PolarHBondContact O-N 3.46Å; T35-H37 VanDerWaalsContact C-N 3.35Å; T35-H37 PolarHBondContact O-N 2.92Å; T35-L38 PolarHBondContact O-N 2.87Å; T35-V39 WeakPolarHBondContact O-CG2 3.46Å; T35-V39 PolarHBondContact O-N 3.45Å; T35-V39 VanDerWaalsContact O-N 3.13Å; T35-L63 HydrophobicContact CG2-CD1 4.16Å; T35-L63 HydrophobicContact CG2-CD2 4.12Å; T35-V74 HydrophobicContact CG2-CB 4.21Å; T35-V74 HydrophobicContact CG2-CG1 3.65Å; T35-V74 HydrophobicContact CG2-CG2 4.33Å
36F93.3Very high89.8Confident41 Ų4176.3 Ų76.318%0.1837%0.369CS..Hα-helixtrans-57.8-47.1174.5174.1-112.1000111.7F8 N9 G12 I32 E34 L38 V39 S40F8-F36 HydrophobicContact CD2-CB 4.31Å; F8-F36 AromaticContact CD2-CD2 3.5Å; F8-F36 HydrophobicContact CD2-CD2 3.5Å; F8-F36 HydrophobicContact CD2-CE2 4.3Å; F8-F36 HydrophobicContact CD2-CG 4.34Å; 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-CE2 4.5Å; F8-F36 HydrophobicContact CE2-CG 4.28Å; F8-F36 HydrophobicContact CG-CD2 4.43Å; F8-F36 HydrophobicContact CZ-CB 4.16Å; F8-F36 HydrophobicContact CZ-CD2 4.46Å; N9-F36 WeakPolarHBondContact O-CE2 3.37Å; G12-F36 VanDerWaalsContact CA-CD2 3.49Å; G12-F36 VanDerWaalsContact CA-CE2 3.5Å; G12-F36 VanDerWaalsContact N-CE2 3.29Å; I32-F36 WeakPolarHBondContact O-CB 3.3Å; I32-F36 PolarHBondContact O-N 3.09Å; E34-F36 VanDerWaalsContact C-N 3.34Å; E34-F36 PolarHBondContact O-N 3.15Å; F36-L38 VanDerWaalsContact C-N 3.28Å; F36-L38 PolarHBondContact O-N 3.26Å; F36-V39 PolarHBondContact O-N 2.91Å; F36-S40 WeakPolarHBondContact O-CB 3.27Å; F36-S40 PolarHBondContact O-N 2.72Å; F36-S40 PolarHBondContact O-OG 3.08Å
37H91.1Very high89.5Confident99 Ų9973.6 Ų73.646%0.45836%0.359SS..Hα-helixtrans-60.3-37.2-179.7-168.390.3000113.3R33 E34 T35 K41R33-H37 WeakPolarHBondContact O-CB 3.44Å; R33-H37 PolarHBondContact O-N 2.97Å; E34-H37 WeakPolarHBondContact O-CB 3.45Å; E34-H37 PolarHBondContact O-N 3.04Å; E34-H37 VanDerWaalsContact O-N 3.15Å; T35-H37 VanDerWaalsContact C-N 3.35Å; T35-H37 PolarHBondContact O-N 2.92Å; H37-K41 WeakPolarHBondContact CE1-CE 3.41Å; H37-K41 PolarHBondContact CE1-NZ 3.13Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.37Å; H37-K41 PolarHBondContact NE2-NZ 3.3Å
38L89.4Confident89.5Confident66 Ų6673.6 Ų73.635%0.34636%0.357SS..Hα-helixtrans-70.4-39179.2-72.7172.2000112.2E34 T35 F36 R42 L50 L63E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 3.43Å; T35-L38 PolarHBondContact O-N 2.87Å; F36-L38 VanDerWaalsContact C-N 3.28Å; F36-L38 PolarHBondContact O-N 3.26Å; L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.44Å; L38-R42 WeakPolarHBondContact O-CG 3.17Å; L38-L50 HydrophobicContact CB-CD2 3.88Å; L38-L63 HydrophobicContact CD1-CD1 3.79Å
39V91.5Very high89.5Confident1 Ų173.7 Ų73.71%0.00636%0.357CS..Hα-helixtrans-87.4-35.5-177.8-55.90000113.2F8 T35 F36 K41 R42 L50 Y65 Y72 V74F8-V39 HydrophobicContact CE2-CG2 3.49Å; F8-V39 VanDerWaalsContact CE2-CG2 3.49Å; F8-V39 HydrophobicContact CZ-CG2 3.56Å; T35-V39 WeakPolarHBondContact O-CG2 3.46Å; T35-V39 PolarHBondContact O-N 3.45Å; T35-V39 VanDerWaalsContact O-N 3.13Å; F36-V39 PolarHBondContact O-N 2.91Å; V39-K41 VanDerWaalsContact C-N 3.28Å; V39-K41 PolarHBondContact O-N 3Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 3.38Å; V39-L50 HydrophobicContact CG1-CD1 4.43Å; V39-Y65 HydrophobicContact CB-CD2 4.08Å; V39-Y65 HydrophobicContact CB-CE2 4.24Å; V39-Y65 HydrophobicContact CB-CG 4.3Å; V39-Y65 HydrophobicContact CG1-CD1 4.03Å; V39-Y65 HydrophobicContact CG1-CD2 4.15Å; V39-Y65 HydrophobicContact CG1-CE1 4.49Å; V39-Y65 HydrophobicContact CG1-CG 3.85Å; V39-Y72 HydrophobicContact CB-CD1 4.29Å; V39-Y72 HydrophobicContact CG2-CD1 3.84Å; V39-Y72 HydrophobicContact CG2-CE1 4.3Å; V39-Y72 HydrophobicContact CG2-CG 4.12Å; V39-V74 HydrophobicContact CG1-CG2 4.4Å
40S89.6Confident89.4Confident40 Ų4069.7 Ų69.728%0.2834%0.339SS..Hα-helixtrans-72.3-18.6-17178.80000114.4F36F36-S40 WeakPolarHBondContact O-CB 3.27Å; F36-S40 PolarHBondContact O-N 2.72Å; F36-S40 PolarHBondContact O-OG 3.08Å
41K85.7Confident89Confident149 Ų14973.9 Ų73.965%0.64836%0.358SS*.THydrogen-bonded Turntrans-90.1-3.9-179.9-72.1-178.1168.2-174.20113.2H37 V39H37-K41 WeakPolarHBondContact CE1-CE 3.41Å; H37-K41 PolarHBondContact CE1-NZ 3.13Å; H37-K41 VanDerWaalsContact NE2-CE 3.34Å; H37-K41 WeakPolarHBondContact NE2-CE 3.37Å; H37-K41 PolarHBondContact NE2-NZ 3.3Å; V39-K41 VanDerWaalsContact C-N 3.28Å; V39-K41 PolarHBondContact O-N 3Å
42R86.7Confident87.8Confident87 Ų8774 Ų7433%0.32836%0.36SS..SBendtrans-90.5145.6-172.2-66.817967.188.4-5.8110.5L38 V39 V46 C47 Y65L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.44Å; L38-R42 WeakPolarHBondContact O-CG 3.17Å; V39-R42 WeakPolarHBondContact O-CB 3.48Å; V39-R42 PolarHBondContact O-N 3.38Å; R42-V46 HydrophobicContact CB-CG2 3.8Å; R42-V46 HydrophobicContact CG-CG2 4.39Å; R42-C47 PolarHBondContact NH2-O 3.11Å; R42-Y65 PolarHBondContact NE-OH 3.48Å
43D85.8Confident86.4Confident95 Ų9574.8 Ų74.851%0.50837%0.373SS..  trans-71.5157.2172.8-164.6-81.2000110.5N45 V46D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 3.41Å; D43-N45 PolarHBondContact OD1-ND2 3.36Å; D43-V46 HydrophobicContact CB-CG1 4.34Å; D43-V46 WeakPolarHBondContact O-CG2 2.98Å
44E81.1Confident85Confident168 Ų16872.7 Ų72.779%0.78537%0.374SS*.THydrogen-bonded Turntrans-69-21.2178.3-65.2179.2-179.500112.5
45N83.8Confident83.5Confident151 Ų15173.9 Ų73.981%0.80738%0.381SS*.THydrogen-bonded Turntrans-88.8-0.1-176.7-60.3-68.6000114.4D43D43-N45 PolarHBondContact O-N 3.12Å; D43-N45 WeakPolarHBondContact OD1-CB 3.43Å; D43-N45 PolarHBondContact OD1-N 3.41Å; D43-N45 PolarHBondContact OD1-ND2 3.36Å
46V88.9Confident82.2Confident61 Ų6173.9 Ų73.937%0.3738%0.381SS..SBendtrans-91.8166179.6-61.80000112.3R42 D43R42-V46 HydrophobicContact CB-CG2 3.8Å; R42-V46 HydrophobicContact CG-CG2 4.39Å; D43-V46 HydrophobicContact CB-CG1 4.34Å; D43-V46 WeakPolarHBondContact O-CG2 2.98Å
47C87.2Confident80.4Confident67 Ų6774.6 Ų74.645%0.45340%0.4SS..  trans-57.8141.3179.7-174.70000112.3R42 F49R42-C47 PolarHBondContact NH2-O 3.11Å; C47-F49 PolarHBondContact O-N 2.88Å; C47-F49 WeakPolarHBondContact SG-CD2 3.3Å; C47-F49 PolarHBondContact SG-N 2.84Å; C47-F49 VanDerWaalsContact SG-N 3.43Å
48N90.2Very high79Confident46 Ų4672.6 Ų72.625%0.24641%0.406CS..SBendtrans-77.22.1177.2-68.5-37.3000114I64 Y65 L87N48-I64 WeakPolarHBondContact O-CA 3.36Å; N48-Y65 WeakPolarHBondContact CB-O 3.36Å; N48-Y65 VanDerWaalsContact O-CD1 3.29Å; N48-Y65 WeakPolarHBondContact O-CD1 3.5Å; N48-Y65 PolarHBondContact O-N 3.29Å; N48-L87 HydrophobicContact CB-CD1 4.13Å; N48-L87 HydrophobicContact CB-CD2 4.47Å
49F92.4Very high77.8Confident59 Ų5971.6 Ų71.626%0.25941%0.405SS..EExtended strand (participates in β ladder)trans-114.7132.1-177.8-43.6-43.8000109.4C47 L63 I64 E83 L84 L87C47-F49 PolarHBondContact O-N 2.88Å; C47-F49 WeakPolarHBondContact SG-CD2 3.3Å; C47-F49 PolarHBondContact SG-N 2.84Å; C47-F49 VanDerWaalsContact SG-N 3.43Å; F49-L63 WeakPolarHBondContact CA-O 3.44Å; F49-I64 HydrophobicContact CD1-CB 4.44Å; F49-I64 HydrophobicContact CD1-CG1 4.06Å; F49-I64 HydrophobicContact CD1-CG2 3.97Å; F49-I64 HydrophobicContact CE1-CG2 3.97Å; F49-E83 HydrophobicContact CD1-CB 3.63Å; F49-E83 HydrophobicContact CD1-CG 4.29Å; F49-E83 HydrophobicContact CD2-CB 4.03Å; F49-E83 HydrophobicContact CD2-CG 4.44Å; F49-E83 HydrophobicContact CE1-CB 3.55Å; F49-E83 HydrophobicContact CE2-CB 3.96Å; F49-E83 HydrophobicContact CG-CB 3.88Å; F49-E83 HydrophobicContact CG-CG 4.19Å; F49-E83 HydrophobicContact CZ-CB 3.72Å; F49-L84 HydrophobicContact CE2-CD2 4.46Å; F49-L84 HydrophobicContact CZ-CD2 3.91Å; F49-L84 HydrophobicContact CZ-CG 4.43Å; F49-L87 HydrophobicContact CE1-CB 4.28Å; F49-L87 HydrophobicContact CE1-CD2 4.17Å; F49-L87 HydrophobicContact CZ-CD2 4.2Å
50L89.6Confident77.1Confident18 Ų1877 Ų779%0.09443%0.433CS..EExtended strand (participates in β ladder)trans-127.6144.1171.3-54.777.5000109.4L38 V39 K62 L63 Y65L38-L50 HydrophobicContact CB-CD2 3.88Å; V39-L50 HydrophobicContact CG1-CD1 4.43Å; L50-K62 CarbonylContact O-C 3.56Å; L50-K62 VanDerWaalsContact O-CA 3.31Å; L50-K62 WeakPolarHBondContact O-CA 3.44Å; L50-L63 HydrophobicContact CB-CB 4.2Å; L50-L63 HydrophobicContact CD1-CB 4.4Å; L50-L63 PolarHBondContact N-O 2.75Å; L50-L63 PolarHBondContact O-N 3.11Å; L50-Y65 HydrophobicContact CD1-CD1 3.34Å; L50-Y65 HydrophobicContact CD1-CE1 3.26Å
51E83.2Confident76.9Confident170 Ų17075.2 Ų75.279%0.79442%0.421SS*.EExtended strand (participates in β ladder)trans-79.3119.2163.1-67.4-179.1169.800107.9G53E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.95Å
52G65.8Low77.1Confident5 Ų570.1 Ų70.15%0.05240%0.399CS..EExtended strand (participates in β ladder)trans-79.8-4.1-172.900000114.4Y61G52-Y61 VanDerWaalsContact C-CE1 3.46Å; G52-Y61 VanDerWaalsContact C-CZ 3.44Å; G52-Y61 VanDerWaalsContact CA-CZ 3.48Å; G52-Y61 PolarHBondContact N-O 3.38Å; G52-Y61 WeakPolarHBondContact O-CE1 3.02Å; G52-Y61 PolarHBondContact O-OH 3.39Å
53G65.7Low77.5Confident38 Ų3866 Ų6639%0.39238%0.383SS..EExtended strand (participates in β ladder)trans71.8-148-173.300000112E51 Y61E51-G53 VanDerWaalsContact C-N 3.27Å; E51-G53 PolarHBondContact O-N 2.95Å; G53-Y61 WeakPolarHBondContact O-CD1 3.48Å; G53-Y61 WeakPolarHBondContact O-CE1 3.47Å
54L60.5Low77.9Confident113 Ų11361.5 Ų61.559%0.59236%0.359SS*.THydrogen-bonded Turntrans-104.42.9-170-67.5164.9000114.6I56 G58L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 3.47Å; L54-G58 WeakPolarHBondContact CD2-O 3.28Å; L54-G58 VanDerWaalsContact O-CA 3.32Å; L54-G58 WeakPolarHBondContact O-CA 3.45Å; L54-G58 PolarHBondContact O-N 2.84Å; L54-G58 VanDerWaalsContact O-N 3.17Å
55L59.9Low78.7Confident77 Ų7754 Ų5440%0.40332%0.324SS..THydrogen-bonded Turntrans-67-29.1-168.4-72.1151.9000114.3E34 Y61E34-L55 WeakPolarHBondContact OE2-CD1 3.41Å; E34-L55 WeakPolarHBondContact OE2-CD2 3.21Å; E34-L55 WeakPolarHBondContact OE2-CG 2.85Å; L55-Y61 HydrophobicContact CB-CE1 4.24Å
56I64Low79.2Confident0 Ų050.3 Ų50.30%030%0.298CS..THydrogen-bonded Turntrans-98.799.7176.9-57.1-176.9000108.7K3 Y23 I31 L54 G58 S59 Y61 C76K3-I56 HydrophobicContact CB-CG2 4.21Å; K3-I56 HydrophobicContact CD-CB 4.34Å; K3-I56 HydrophobicContact CD-CG2 3.35Å; K3-I56 HydrophobicContact CG-CG2 4.46Å; Y23-I56 HydrophobicContact CE1-CG2 4.38Å; Y23-I56 HydrophobicContact CE2-CG2 4.39Å; Y23-I56 WeakPolarHBondContact OH-CG2 3.5Å; I31-I56 HydrophobicContact CD1-CG1 3.97Å; I31-I56 HydrophobicContact CG1-CG1 4Å; I31-I56 HydrophobicContact CG2-CD1 3.75Å; I31-I56 HydrophobicContact CG2-CG1 4.01Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-I56 PolarHBondContact O-N 3.47Å; I56-G58 VanDerWaalsContact C-N 3.32Å; I56-G58 PolarHBondContact O-N 3.45Å; I56-S59 PolarHBondContact O-OG 2.96Å; I56-Y61 HydrophobicContact CB-CD1 3.71Å; I56-Y61 HydrophobicContact CB-CD2 4.31Å; I56-Y61 HydrophobicContact CB-CE1 3.72Å; I56-Y61 HydrophobicContact CB-CE2 4.29Å; I56-Y61 HydrophobicContact CB-CG 4.01Å; I56-Y61 HydrophobicContact CD1-CD2 3.67Å; I56-Y61 HydrophobicContact CD1-CE1 4.29Å; I56-Y61 HydrophobicContact CD1-CE2 3.33Å; I56-Y61 HydrophobicContact CD1-CG 4.25Å; I56-Y61 HydrophobicContact CG1-CD1 4.16Å; I56-Y61 HydrophobicContact CG1-CD2 4.17Å; I56-Y61 HydrophobicContact CG1-CE1 3.74Å; I56-Y61 HydrophobicContact CG1-CE2 3.73Å; I56-Y61 HydrophobicContact CG1-CG 4.35Å; I56-Y61 VanDerWaalsContact CG1-CZ 3.48Å; I56-Y61 VanDerWaalsContact N-CE1 3.32Å; I56-C76 HydrophobicContact CD1-CB 3.77Å
57G57.1Low79.5Confident56 Ų5650.2 Ų50.258%0.57729%0.294SS*.THydrogen-bonded Turntrans73.411.5170.900000116.2S59G57-S59 PolarHBondContact O-N 3.34Å
58G60.8Low79.8Confident57 Ų5749.5 Ų49.559%0.58828%0.282SS*.THydrogen-bonded Turntrans69.412.4179.500000114.5L54 I56L54-G58 WeakPolarHBondContact CD2-O 3.28Å; L54-G58 VanDerWaalsContact O-CA 3.32Å; L54-G58 WeakPolarHBondContact O-CA 3.45Å; L54-G58 PolarHBondContact O-N 2.84Å; L54-G58 VanDerWaalsContact O-N 3.17Å; I56-G58 VanDerWaalsContact C-N 3.32Å; I56-G58 PolarHBondContact O-N 3.45Å
59S64.8Low79.9Confident45 Ų4551.7 Ų51.732%0.31531%0.306SS..SBendtrans-117.7152-178.654.50000111I56 G57 Y61I56-S59 PolarHBondContact O-OG 2.96Å; G57-S59 PolarHBondContact O-N 3.34Å; S59-Y61 PolarHBondContact O-N 3.31Å; S59-Y61 VanDerWaalsContact O-N 3.09Å
60D75.9Confident79.9Confident114 Ų11451.6 Ų51.661%0.6131%0.311SS*.  trans-60.8112.2174.8-63.3-39.6000110.6
61Y85.4Confident80.2Confident4 Ų451.3 Ų51.32%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-119.5156.2174.374.9-82.2000110.9G52 G53 L55 I56 S59 L63 V77G52-Y61 VanDerWaalsContact C-CE1 3.46Å; G52-Y61 VanDerWaalsContact C-CZ 3.44Å; G52-Y61 VanDerWaalsContact CA-CZ 3.48Å; G52-Y61 PolarHBondContact N-O 3.38Å; G52-Y61 WeakPolarHBondContact O-CE1 3.02Å; G52-Y61 PolarHBondContact O-OH 3.39Å; G53-Y61 WeakPolarHBondContact O-CD1 3.48Å; G53-Y61 WeakPolarHBondContact O-CE1 3.47Å; L55-Y61 HydrophobicContact CB-CE1 4.24Å; I56-Y61 HydrophobicContact CB-CD1 3.71Å; I56-Y61 HydrophobicContact CB-CD2 4.31Å; I56-Y61 HydrophobicContact CB-CE1 3.72Å; I56-Y61 HydrophobicContact CB-CE2 4.29Å; I56-Y61 HydrophobicContact CB-CG 4.01Å; I56-Y61 HydrophobicContact CD1-CD2 3.67Å; I56-Y61 HydrophobicContact CD1-CE1 4.29Å; I56-Y61 HydrophobicContact CD1-CE2 3.33Å; I56-Y61 HydrophobicContact CD1-CG 4.25Å; I56-Y61 HydrophobicContact CG1-CD1 4.16Å; I56-Y61 HydrophobicContact CG1-CD2 4.17Å; I56-Y61 HydrophobicContact CG1-CE1 3.74Å; I56-Y61 HydrophobicContact CG1-CE2 3.73Å; I56-Y61 HydrophobicContact CG1-CG 4.35Å; I56-Y61 VanDerWaalsContact CG1-CZ 3.48Å; I56-Y61 VanDerWaalsContact N-CE1 3.32Å; S59-Y61 PolarHBondContact O-N 3.31Å; S59-Y61 VanDerWaalsContact O-N 3.09Å; Y61-L63 HydrophobicContact CD2-CD2 4.14Å; Y61-L63 HydrophobicContact CD2-CG 4.38Å; Y61-L63 HydrophobicContact CE2-CD1 4.49Å; Y61-L63 HydrophobicContact CE2-CD2 3.69Å; Y61-L63 HydrophobicContact CE2-CG 3.9Å; Y61-V77 CarbonylContact C-O 3.6Å; Y61-V77 WeakPolarHBondContact CA-O 3.47Å; Y61-V77 WeakPolarHBondContact CB-O 3.34Å
62K91.3Very high80.8Confident42 Ų4244.6 Ų44.618%0.18328%0.276CS..EExtended strand (participates in β ladder)trans-114.5142177.6-64.4175.5-178.4170.60109.3L50 V77 E83L50-K62 CarbonylContact O-C 3.56Å; L50-K62 VanDerWaalsContact O-CA 3.31Å; L50-K62 WeakPolarHBondContact O-CA 3.44Å; K62-V77 HydrophobicContact CB-CG2 4.13Å; K62-V77 PolarHBondContact N-O 3.24Å; K62-V77 PolarHBondContact O-N 2.88Å; K62-E83 HydrophobicContact CD-CG 4.11Å; K62-E83 WeakPolarHBondContact CD-OE1 3.4Å; K62-E83 WeakPolarHBondContact CE-OE1 3.33Å; K62-E83 IonicContact NZ-OE1 2.67Å; K62-E83 PolarHBondContact NZ-OE1 2.97Å
63L93.5Very high82.3Confident0 Ų044.8 Ų44.80%028%0.276CS..EExtended strand (participates in β ladder)trans-102.1125.3169.9-62.8175.3000108.2T35 L38 F49 L50 Y61 V74 C76T35-L63 HydrophobicContact CG2-CD1 4.16Å; T35-L63 HydrophobicContact CG2-CD2 4.12Å; L38-L63 HydrophobicContact CD1-CD1 3.79Å; F49-L63 WeakPolarHBondContact CA-O 3.44Å; L50-L63 HydrophobicContact CB-CB 4.2Å; L50-L63 HydrophobicContact CD1-CB 4.4Å; L50-L63 PolarHBondContact N-O 2.75Å; L50-L63 PolarHBondContact O-N 3.11Å; Y61-L63 HydrophobicContact CD2-CD2 4.14Å; Y61-L63 HydrophobicContact CD2-CG 4.38Å; Y61-L63 HydrophobicContact CE2-CD1 4.49Å; Y61-L63 HydrophobicContact CE2-CD2 3.69Å; Y61-L63 HydrophobicContact CE2-CG 3.9Å; L63-V74 HydrophobicContact CB-CG1 4.39Å; L63-V74 HydrophobicContact CD2-CG1 4.11Å; L63-C76 HydrophobicContact CD2-CB 4.07Å; L63-C76 WeakPolarHBondContact CD2-SG 3.26Å
64I95.8Very high83.8Confident0 Ų043 Ų430%026%0.257CS..EExtended strand (participates in β ladder)trans-119.2120.3177.4-58.3165000105.8N48 F49 V74 F75 V77 E83 I86 L87 I90N48-I64 WeakPolarHBondContact O-CA 3.36Å; F49-I64 HydrophobicContact CD1-CB 4.44Å; F49-I64 HydrophobicContact CD1-CG1 4.06Å; F49-I64 HydrophobicContact CD1-CG2 3.97Å; F49-I64 HydrophobicContact CE1-CG2 3.97Å; I64-V74 WeakPolarHBondContact O-CA 3.48Å; I64-F75 PolarHBondContact N-O 2.82Å; I64-F75 PolarHBondContact O-N 2.78Å; I64-V77 HydrophobicContact CD1-CG1 4.49Å; I64-V77 HydrophobicContact CD1-CG2 3.47Å; I64-V77 VanDerWaalsContact CD1-CG2 3.47Å; I64-V77 HydrophobicContact CG1-CG2 4.27Å; I64-E83 HydrophobicContact CD1-CB 4.05Å; I64-E83 HydrophobicContact CD1-CG 4.24Å; I64-E83 HydrophobicContact CG1-CB 4.43Å; I64-I86 HydrophobicContact CB-CG2 3.95Å; I64-I86 HydrophobicContact CD1-CB 3.53Å; I64-I86 HydrophobicContact CD1-CG1 3.87Å; I64-I86 HydrophobicContact CD1-CG2 3.68Å; I64-I86 HydrophobicContact CG1-CG2 4.44Å; I64-I86 HydrophobicContact CG2-CB 4.31Å; I64-I86 HydrophobicContact CG2-CG2 3.97Å; I64-L87 HydrophobicContact CG2-CB 4.15Å; I64-L87 HydrophobicContact CG2-CD1 4.27Å; I64-I90 HydrophobicContact CG2-CD1 4.08Å
65Y96.2Very high85.5Confident12 Ų1237.6 Ų37.65%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-134.2157.2-173.780.2-73.9000113.1V39 R42 N48 L50 Y72 F73V39-Y65 HydrophobicContact CB-CD2 4.08Å; V39-Y65 HydrophobicContact CB-CE2 4.24Å; V39-Y65 HydrophobicContact CB-CG 4.3Å; V39-Y65 HydrophobicContact CG1-CD1 4.03Å; V39-Y65 HydrophobicContact CG1-CD2 4.15Å; V39-Y65 HydrophobicContact CG1-CE1 4.49Å; V39-Y65 HydrophobicContact CG1-CG 3.85Å; R42-Y65 PolarHBondContact NE-OH 3.48Å; N48-Y65 WeakPolarHBondContact CB-O 3.36Å; N48-Y65 VanDerWaalsContact O-CD1 3.29Å; N48-Y65 WeakPolarHBondContact O-CD1 3.5Å; N48-Y65 PolarHBondContact O-N 3.29Å; L50-Y65 HydrophobicContact CD1-CD1 3.34Å; L50-Y65 HydrophobicContact CD1-CE1 3.26Å; Y65-Y72 HydrophobicContact CD2-CD1 4.19Å; Y65-F73 CarbonylContact C-O 3.57Å; Y65-F73 WeakPolarHBondContact CA-O 3.2Å; Y65-F73 WeakPolarHBondContact CB-O 3.29Å
66R95.8Very high87.2Confident73 Ų7334 Ų3428%0.27521%0.21SC..EExtended strand (participates in β ladder)trans-142.8141.9165.3-173171.7-96.3170.3-3.6109.8Y68 F73 L87 I90R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.73Å; R66-Y68 WeakPolarHBondContact CD-OH 3.31Å; R66-Y68 HydrophobicContact CG-CD2 4.07Å; R66-Y68 HydrophobicContact CG-CE1 4.44Å; R66-Y68 HydrophobicContact CG-CE2 3.54Å; R66-Y68 PolarHBondContact NH1-OH 3.13Å; R66-F73 PolarHBondContact N-O 2.87Å; R66-F73 PolarHBondContact O-N 3.3Å; R66-L87 HydrophobicContact CB-CD1 4.36Å; R66-I90 HydrophobicContact CB-CG2 4.1Å
67H94.7Very high88.6Confident59 Ų5934 Ų3427%0.27321%0.21SC..EExtended strand (participates in β ladder)trans-98.1123177.4-173-127.2000109.6N10 A69 L71 Y72N10-H67 PolarHBondContact OD1-NE2 2.95Å; H67-A69 PolarHBondContact CE1-O 3.13Å; H67-A69 PolarHBondContact NE2-O 3.01Å; H67-L71 PolarHBondContact CD2-O 2.81Å; H67-L71 VanDerWaalsContact CD2-O 3.31Å; H67-Y72 HydrophobicContact CB-CD1 4.12Å; H67-Y72 HydrophobicContact CB-CE1 4.04Å; H67-Y72 AromaticContact CD2-CD1 3.69Å; H67-Y72 AromaticContact CD2-CD2 3.81Å; H67-Y72 AromaticContact CD2-CE1 3.52Å; H67-Y72 AromaticContact CD2-CE2 3.63Å; H67-Y72 AromaticContact CD2-CG 3.83Å; H67-Y72 AromaticContact CD2-CZ 3.48Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.48Å; H67-Y72 AromaticContact CG-CE1 3.86Å; H67-Y72 AromaticContact NE2-CE2 3.72Å; H67-Y72 AromaticContact NE2-CZ 3.7Å
68Y93.9Very high90.2Very high52 Ų5232.7 Ų32.720%0.20419%0.19CC..EExtended strand (participates in β ladder)trans-122.2111.6176.4-66.3-88.4000108.6R66 T70 L71 F73 I90 Q91 V94R66-Y68 HydrophobicContact CB-CD2 4.32Å; R66-Y68 HydrophobicContact CB-CE2 3.73Å; R66-Y68 WeakPolarHBondContact CD-OH 3.31Å; R66-Y68 HydrophobicContact CG-CD2 4.07Å; R66-Y68 HydrophobicContact CG-CE1 4.44Å; R66-Y68 HydrophobicContact CG-CE2 3.54Å; R66-Y68 PolarHBondContact NH1-OH 3.13Å; Y68-T70 PolarHBondContact O-N 3.24Å; Y68-L71 PolarHBondContact N-O 2.8Å; Y68-L71 PolarHBondContact O-N 2.54Å; Y68-F73 AromaticContact CD2-CD2 3.56Å; Y68-F73 HydrophobicContact CD2-CD2 3.56Å; Y68-F73 AromaticContact CD2-CE2 3.97Å; Y68-F73 HydrophobicContact CD2-CE2 3.97Å; Y68-F73 HydrophobicContact CD2-CG 4.21Å; Y68-F73 HydrophobicContact CE2-CD2 4.25Å; Y68-F73 HydrophobicContact CE2-CG 4.47Å; Y68-F73 HydrophobicContact CG-CD2 4.44Å; Y68-F73 HydrophobicContact CG-CE2 4.49Å; Y68-I90 HydrophobicContact CE2-CG2 3.82Å; Y68-Q91 PolarHBondContact OH-OE1 3.2Å; Y68-V94 HydrophobicContact CD1-CG1 4.04Å; Y68-V94 HydrophobicContact CD2-CG2 3.79Å; Y68-V94 HydrophobicContact CE1-CB 4.34Å; Y68-V94 HydrophobicContact CE1-CG1 3.98Å; Y68-V94 HydrophobicContact CE1-CG2 4.34Å; Y68-V94 HydrophobicContact CE2-CB 4.25Å; Y68-V94 HydrophobicContact CE2-CG1 4.44Å; Y68-V94 HydrophobicContact CE2-CG2 3.4Å; Y68-V94 HydrophobicContact CG-CG1 4.29Å; Y68-V94 HydrophobicContact CG-CG2 4.38Å
69A91.4Very high91.5Very high91 Ų9133 Ų3375%0.75218%0.183SC*.THydrogen-bonded Turntrans51.3-97.3-178.100000113.5H67H67-A69 PolarHBondContact CE1-O 3.13Å; H67-A69 PolarHBondContact NE2-O 3.01Å
70T92Very high92.6Very high58 Ų5835.9 Ų35.936%0.35620%0.203SC..THydrogen-bonded Turntrans-107.41.8-179.362.10000114N9 N10 Y68 E106N9-T70 CarbonylContact C-O 3.49Å; N9-T70 WeakPolarHBondContact CA-O 3.43Å; N10-T70 PolarHBondContact N-O 3.33Å; N10-T70 PolarHBondContact OD1-O 3.41Å; Y68-T70 PolarHBondContact O-N 3.24Å; T70-E106 PolarHBondContact OG1-OE2 2.79Å
71L95.9Very high93.5Very high12 Ų1233.4 Ų33.46%0.06319%0.188CC..EExtended strand (participates in β ladder)trans-120.6135.1-170.9-63.6177.3000112.1I7 N9 R15 H67 Y68 F73 E106 L109I7-L71 HydrophobicContact CG2-CB 4.24Å; I7-L71 HydrophobicContact CG2-CD1 4.29Å; I7-L71 HydrophobicContact CG2-CD2 4.22Å; N9-L71 HydrophobicContact CB-CD2 4.01Å; R15-L71 HydrophobicContact CG-CD2 3.86Å; H67-L71 PolarHBondContact CD2-O 2.81Å; H67-L71 VanDerWaalsContact CD2-O 3.31Å; Y68-L71 PolarHBondContact N-O 2.8Å; Y68-L71 PolarHBondContact O-N 2.54Å; L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.8Å; L71-F73 HydrophobicContact CD1-CE2 4.21Å; L71-F73 HydrophobicContact CD1-CZ 4.47Å; L71-E106 HydrophobicContact CD1-CB 4.19Å; L71-E106 HydrophobicContact CD2-CB 4.2Å; L71-E106 HydrophobicContact CD2-CG 3.91Å; L71-E106 HydrophobicContact CG-CB 4.29Å; L71-L109 HydrophobicContact CD1-CD2 3.76Å
72Y96.3Very high93.9Very high28 Ų2836.5 Ų36.511%0.1121%0.211CC..EExtended strand (participates in β ladder)trans-96123.2166.8-66-90.5000108.6I7 F8 N10 V39 Y65 H67I7-Y72 VanDerWaalsContact CA-O 3.31Å; I7-Y72 WeakPolarHBondContact CA-O 3.42Å; F8-Y72 AromaticContact CD2-CD2 3.99Å; F8-Y72 HydrophobicContact CD2-CD2 3.99Å; F8-Y72 HydrophobicContact CD2-CG 4.15Å; F8-Y72 AromaticContact CE2-CD2 3.93Å; F8-Y72 HydrophobicContact CE2-CD2 3.93Å; F8-Y72 AromaticContact CE2-CG 3.74Å; F8-Y72 HydrophobicContact CE2-CG 3.74Å; F8-Y72 PolarHBondContact N-O 3.3Å; F8-Y72 PolarHBondContact O-N 2.82Å; N10-Y72 VanDerWaalsContact OD1-CE2 3.28Å; N10-Y72 WeakPolarHBondContact OD1-CE2 3.42Å; V39-Y72 HydrophobicContact CB-CD1 4.29Å; V39-Y72 HydrophobicContact CG2-CD1 3.84Å; V39-Y72 HydrophobicContact CG2-CE1 4.3Å; V39-Y72 HydrophobicContact CG2-CG 4.12Å; Y65-Y72 HydrophobicContact CD2-CD1 4.19Å; H67-Y72 HydrophobicContact CB-CD1 4.12Å; H67-Y72 HydrophobicContact CB-CE1 4.04Å; H67-Y72 AromaticContact CD2-CD1 3.69Å; H67-Y72 AromaticContact CD2-CD2 3.81Å; H67-Y72 AromaticContact CD2-CE1 3.52Å; H67-Y72 AromaticContact CD2-CE2 3.63Å; H67-Y72 AromaticContact CD2-CG 3.83Å; H67-Y72 AromaticContact CD2-CZ 3.48Å; H67-Y72 VanDerWaalsContact CD2-CZ 3.48Å; H67-Y72 AromaticContact CG-CE1 3.86Å; H67-Y72 AromaticContact NE2-CE2 3.72Å; H67-Y72 AromaticContact NE2-CZ 3.7Å
73F97.7Very high94Very high9 Ų937.2 Ų37.24%0.03922%0.215CC..EExtended strand (participates in β ladder)trans-99118.8170.2-73.5-109000107.3I7 Y65 R66 Y68 L71 I90 F93 V94 L97I7-F73 HydrophobicContact CD1-CD1 3.76Å; I7-F73 HydrophobicContact CD1-CE1 3.4Å; I7-F73 VanDerWaalsContact CD1-CE1 3.4Å; I7-F73 HydrophobicContact CD1-CZ 4.05Å; I7-F73 HydrophobicContact CG1-CD1 3.81Å; I7-F73 HydrophobicContact CG1-CE1 3.95Å; I7-F73 HydrophobicContact CG1-CG 4.33Å; I7-F73 HydrophobicContact CG2-CE2 4.35Å; I7-F73 HydrophobicContact CG2-CZ 4.36Å; Y65-F73 CarbonylContact C-O 3.57Å; Y65-F73 WeakPolarHBondContact CA-O 3.2Å; Y65-F73 WeakPolarHBondContact CB-O 3.29Å; R66-F73 PolarHBondContact N-O 2.87Å; R66-F73 PolarHBondContact O-N 3.3Å; Y68-F73 AromaticContact CD2-CD2 3.56Å; Y68-F73 HydrophobicContact CD2-CD2 3.56Å; Y68-F73 AromaticContact CD2-CE2 3.97Å; Y68-F73 HydrophobicContact CD2-CE2 3.97Å; Y68-F73 HydrophobicContact CD2-CG 4.21Å; Y68-F73 HydrophobicContact CE2-CD2 4.25Å; Y68-F73 HydrophobicContact CE2-CG 4.47Å; Y68-F73 HydrophobicContact CG-CD2 4.44Å; Y68-F73 HydrophobicContact CG-CE2 4.49Å; L71-F73 HydrophobicContact CB-CD2 4.25Å; L71-F73 HydrophobicContact CB-CE2 3.8Å; L71-F73 HydrophobicContact CD1-CE2 4.21Å; L71-F73 HydrophobicContact CD1-CZ 4.47Å; F73-I90 HydrophobicContact CB-CG2 3.85Å; F73-F93 HydrophobicContact CD1-CD1 4.07Å; F73-F93 HydrophobicContact CD1-CE1 4.24Å; F73-F93 HydrophobicContact CE1-CD1 4.14Å; F73-F93 HydrophobicContact CE1-CE1 4.13Å; F73-V94 HydrophobicContact CD1-CG2 3.79Å; F73-V94 HydrophobicContact CD2-CG2 4.22Å; F73-V94 HydrophobicContact CE1-CG2 3.61Å; F73-V94 HydrophobicContact CE2-CG2 4.05Å; F73-V94 HydrophobicContact CG-CG2 4.09Å; F73-V94 HydrophobicContact CZ-CG2 3.75Å; F73-L97 HydrophobicContact CE1-CD1 3.96Å; F73-L97 HydrophobicContact CZ-CD1 4.28Å
74V96.9Very high94.1Very high0 Ų043 Ų430%025%0.245CC..EExtended strand (participates in β ladder)trans-129.9125.6-174.2-167.80000110.8L6 F8 T35 V39 L63 I64L6-V74 HydrophobicContact CB-CB 4.48Å; L6-V74 PolarHBondContact N-O 3.4Å; L6-V74 PolarHBondContact O-N 2.73Å; F8-V74 HydrophobicContact CE1-CB 4.42Å; F8-V74 HydrophobicContact CE1-CG2 3.78Å; F8-V74 HydrophobicContact CE2-CG2 4.3Å; F8-V74 HydrophobicContact CZ-CB 4.49Å; F8-V74 HydrophobicContact CZ-CG2 3.46Å; F8-V74 VanDerWaalsContact CZ-CG2 3.46Å; T35-V74 HydrophobicContact CG2-CB 4.21Å; T35-V74 HydrophobicContact CG2-CG1 3.65Å; T35-V74 HydrophobicContact CG2-CG2 4.33Å; V39-V74 HydrophobicContact CG1-CG2 4.4Å; L63-V74 HydrophobicContact CB-CG1 4.39Å; L63-V74 HydrophobicContact CD2-CG1 4.11Å; I64-V74 WeakPolarHBondContact O-CA 3.48Å
75F96.8Very high94.2Very high1 Ų145 Ų450%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-110.1121.9174.9-78.749.4000107.9I2 I5 I64 V77 I86 L89 I90 F93I2-F75 HydrophobicContact CD1-CD2 4.18Å; I2-F75 HydrophobicContact CD1-CE2 4.36Å; I2-F75 HydrophobicContact CG2-CD2 4.41Å; I5-F75 HydrophobicContact CB-CE1 4.45Å; I5-F75 HydrophobicContact CD1-CD2 3.92Å; I5-F75 HydrophobicContact CD1-CE1 4.34Å; I5-F75 HydrophobicContact CD1-CE2 3.41Å; I5-F75 VanDerWaalsContact CD1-CE2 3.41Å; I5-F75 HydrophobicContact CD1-CZ 3.66Å; I5-F75 HydrophobicContact CG1-CD1 4.21Å; I5-F75 HydrophobicContact CG1-CD2 3.79Å; I5-F75 HydrophobicContact CG1-CE1 4.16Å; I5-F75 HydrophobicContact CG1-CE2 3.75Å; I5-F75 HydrophobicContact CG1-CG 4.02Å; I5-F75 HydrophobicContact CG1-CZ 3.95Å; I5-F75 HydrophobicContact CG2-CD1 4.02Å; I5-F75 HydrophobicContact CG2-CE1 3.57Å; I5-F75 HydrophobicContact CG2-CZ 3.88Å; I64-F75 PolarHBondContact N-O 2.82Å; I64-F75 PolarHBondContact O-N 2.78Å; F75-V77 HydrophobicContact CB-CG1 4.27Å; F75-I86 HydrophobicContact CB-CG2 3.51Å; F75-I86 HydrophobicContact CD2-CG2 3.8Å; F75-I86 HydrophobicContact CG-CG2 3.88Å; F75-L89 HydrophobicContact CD2-CD2 4.32Å; F75-L89 HydrophobicContact CE2-CD2 3.73Å; F75-L89 HydrophobicContact CE2-CG 4.13Å; F75-I90 HydrophobicContact CB-CD1 4.42Å; F75-I90 HydrophobicContact CD1-CD1 3.82Å; F75-I90 HydrophobicContact CD1-CG1 3.44Å; F75-I90 VanDerWaalsContact CD1-CG1 3.44Å; F75-I90 HydrophobicContact CE1-CD1 4.41Å; F75-I90 HydrophobicContact CE1-CG1 3.55Å; F75-I90 HydrophobicContact CG-CD1 4.23Å; F75-I90 HydrophobicContact CG-CG1 3.99Å; F75-I90 HydrophobicContact CZ-CG1 4.14Å; F75-F93 HydrophobicContact CE1-CD1 4.44Å; F75-F93 HydrophobicContact CZ-CD1 4.33Å
76C94.6Very high94.2Very high0 Ų044.7 Ų44.70%026%0.264CS..EExtended strand (participates in β ladder)trans-93.3117.7173.1-52.70000107.6K3 A4 I56 L63K3-C76 PolarHBondContact N-O 3.03Å; A4-C76 HydrophobicContact CB-CB 4.07Å; A4-C76 PolarHBondContact N-O 3.49Å; A4-C76 PolarHBondContact O-N 3.28Å; I56-C76 HydrophobicContact CD1-CB 3.77Å; L63-C76 HydrophobicContact CD2-CB 4.07Å; L63-C76 WeakPolarHBondContact CD2-SG 3.26Å
77V93.9Very high94.3Very high0 Ų042.1 Ų42.10%026%0.256CS..EExtended strand (participates in β ladder)trans-132.8156.2-173.4-55.40000111.5M1 I2 Y61 K62 I64 F75 E81 I86M1-V77 WeakPolarHBondContact O-CA 3.31Å; I2-V77 HydrophobicContact CB-CG1 4.4Å; I2-V77 HydrophobicContact CG1-CG1 3.95Å; I2-V77 HydrophobicContact CG2-CG1 4.44Å; Y61-V77 CarbonylContact C-O 3.6Å; Y61-V77 WeakPolarHBondContact CA-O 3.47Å; Y61-V77 WeakPolarHBondContact CB-O 3.34Å; K62-V77 HydrophobicContact CB-CG2 4.13Å; K62-V77 PolarHBondContact N-O 3.24Å; K62-V77 PolarHBondContact O-N 2.88Å; I64-V77 HydrophobicContact CD1-CG1 4.49Å; I64-V77 HydrophobicContact CD1-CG2 3.47Å; I64-V77 VanDerWaalsContact CD1-CG2 3.47Å; I64-V77 HydrophobicContact CG1-CG2 4.27Å; F75-V77 HydrophobicContact CB-CG1 4.27Å; V77-E81 HydrophobicContact CB-CB 4.05Å; V77-E81 HydrophobicContact CB-CG 4Å; V77-E81 HydrophobicContact CG2-CB 4.06Å; V77-I86 HydrophobicContact CG1-CD1 4.01Å; V77-I86 HydrophobicContact CG1-CG1 3.99Å; V77-I86 HydrophobicContact CG1-CG2 4.15Å
78D90.9Very high94.4Very high30 Ų3044.3 Ų44.316%0.1627%0.27CS..EExtended strand (participates in β ladder)trans-68159.3171.1-60-28000111.6M1 K3 S80 E81M1-D78 VanDerWaalsContact CG-OD2 3.26Å; M1-D78 WeakPolarHBondContact CG-OD2 3.43Å; M1-D78 PolarHBondContact N-OD2 2.86Å; M1-D78 PolarHBondContact O-N 2.91Å; K3-D78 WeakPolarHBondContact CE-OD1 3.48Å; K3-D78 IonicContact NZ-OD1 3.65Å; K3-D78 PolarHBondContact NZ-OD1 3.16Å; D78-S80 PolarHBondContact O-N 3.28Å; D78-E81 PolarHBondContact O-N 3.11Å; D78-E81 VanDerWaalsContact O-N 3.1Å
79S87.9Confident94.5Very high63 Ų6342.2 Ų42.244%0.44126%0.262SS..THydrogen-bonded Turntrans-58.1-17.8174.459.40000114.9
80S88.8Confident94.8Very high105 Ų10537.9 Ų37.973%0.73423%0.226SC*.THydrogen-bonded Turntrans-78.9-16.5177.9-54.70000114.5D78D78-S80 PolarHBondContact O-N 3.28Å
81E93Very high95.1Very high62 Ų6237.6 Ų37.629%0.2922%0.221SC..SBendtrans-81.2148.2178.9-61.8-56.7151.100111.7M1 V77 D78 E83 I86M1-E81 WeakPolarHBondContact CA-OE1 3.45Å; M1-E81 PolarHBondContact N-OE1 3.38Å; V77-E81 HydrophobicContact CB-CB 4.05Å; V77-E81 HydrophobicContact CB-CG 4Å; V77-E81 HydrophobicContact CG2-CB 4.06Å; D78-E81 PolarHBondContact O-N 3.11Å; D78-E81 VanDerWaalsContact O-N 3.1Å; E81-E83 PolarHBondContact O-N 2.79Å; E81-I86 HydrophobicContact CB-CG1 4.28Å
82S94.4Very high95.2Very high70 Ų7037.9 Ų37.949%0.4922%0.223SC..  trans-75.3124.1174.6179.20000110.9L84 G85 I86S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 3.37Å; S82-G85 PolarHBondContact O-N 3.28Å; S82-I86 WeakPolarHBondContact O-CG1 3.35Å; S82-I86 PolarHBondContact O-N 2.94Å; S82-I86 VanDerWaalsContact O-N 3.11Å
83E94.1Very high95.2Very high57 Ų5736.6 Ų36.627%0.26622%0.218SC..Hα-helixtrans-65.9-38.5-176.6-56.489.6160.900112.7F49 K62 I64 E81 L87F49-E83 HydrophobicContact CD1-CB 3.63Å; F49-E83 HydrophobicContact CD1-CG 4.29Å; F49-E83 HydrophobicContact CD2-CB 4.03Å; F49-E83 HydrophobicContact CD2-CG 4.44Å; F49-E83 HydrophobicContact CE1-CB 3.55Å; F49-E83 HydrophobicContact CE2-CB 3.96Å; F49-E83 HydrophobicContact CG-CB 3.88Å; F49-E83 HydrophobicContact CG-CG 4.19Å; F49-E83 HydrophobicContact CZ-CB 3.72Å; K62-E83 HydrophobicContact CD-CG 4.11Å; K62-E83 WeakPolarHBondContact CD-OE1 3.4Å; K62-E83 WeakPolarHBondContact CE-OE1 3.33Å; K62-E83 IonicContact NZ-OE1 2.67Å; K62-E83 PolarHBondContact NZ-OE1 2.97Å; I64-E83 HydrophobicContact CD1-CB 4.05Å; I64-E83 HydrophobicContact CD1-CG 4.24Å; I64-E83 HydrophobicContact CG1-CB 4.43Å; E81-E83 PolarHBondContact O-N 2.79Å; E83-L87 WeakPolarHBondContact O-CB 3.32Å; E83-L87 PolarHBondContact O-N 2.74Å
84L95.9Very high95.2Very high122 Ų12237 Ų3764%0.63922%0.221SC*.Hα-helixtrans-68.8-37176.4-68.2173.4000111.9F49 S82 L87 D88F49-L84 HydrophobicContact CE2-CD2 4.46Å; F49-L84 HydrophobicContact CZ-CD2 3.91Å; F49-L84 HydrophobicContact CZ-CG 4.43Å; S82-L84 VanDerWaalsContact C-N 3.33Å; S82-L84 PolarHBondContact O-N 3.37Å; L84-L87 PolarHBondContact O-N 3.45Å; L84-D88 PolarHBondContact O-N 2.93Å
85G96.4Very high95.2Very high41 Ų4140.4 Ų40.442%0.42324%0.237SC..Hα-helixtrans-63.6-41.6176.700000112.3S82 D88 L89S82-G85 PolarHBondContact O-N 3.28Å; G85-D88 PolarHBondContact O-N 3.47Å; G85-L89 PolarHBondContact O-N 2.94Å
86I97.3Very high95.2Very high6 Ų640.4 Ų40.43%0.03124%0.237CC..Hα-helixtrans-71.2-35.7175.7-59.2-65.8000111.4I2 I64 F75 V77 E81 S82 D88 L89 I90I2-I86 HydrophobicContact CD1-CD1 4.07Å; I2-I86 HydrophobicContact CG1-CD1 4.01Å; I64-I86 HydrophobicContact CB-CG2 3.95Å; I64-I86 HydrophobicContact CD1-CB 3.53Å; I64-I86 HydrophobicContact CD1-CG1 3.87Å; I64-I86 HydrophobicContact CD1-CG2 3.68Å; I64-I86 HydrophobicContact CG1-CG2 4.44Å; I64-I86 HydrophobicContact CG2-CB 4.31Å; I64-I86 HydrophobicContact CG2-CG2 3.97Å; F75-I86 HydrophobicContact CB-CG2 3.51Å; F75-I86 HydrophobicContact CD2-CG2 3.8Å; F75-I86 HydrophobicContact CG-CG2 3.88Å; V77-I86 HydrophobicContact CG1-CD1 4.01Å; V77-I86 HydrophobicContact CG1-CG1 3.99Å; V77-I86 HydrophobicContact CG1-CG2 4.15Å; E81-I86 HydrophobicContact CB-CG1 4.28Å; S82-I86 WeakPolarHBondContact O-CG1 3.35Å; S82-I86 PolarHBondContact O-N 2.94Å; S82-I86 VanDerWaalsContact O-N 3.11Å; I86-D88 VanDerWaalsContact C-N 3.28Å; I86-D88 PolarHBondContact O-N 3.17Å; I86-L89 HydrophobicContact CD1-CD2 4.41Å; I86-L89 WeakPolarHBondContact O-CB 3.39Å; I86-L89 PolarHBondContact O-N 3.4Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 2.97Å
87L96.4Very high95.3Very high18 Ų1840.4 Ų40.49%0.09424%0.237CC..Hα-helixtrans-63.3-37.2174.9-17165.5000111.8N48 F49 I64 R66 E83 L84 Q91N48-L87 HydrophobicContact CB-CD1 4.13Å; N48-L87 HydrophobicContact CB-CD2 4.47Å; F49-L87 HydrophobicContact CE1-CB 4.28Å; F49-L87 HydrophobicContact CE1-CD2 4.17Å; F49-L87 HydrophobicContact CZ-CD2 4.2Å; I64-L87 HydrophobicContact CG2-CB 4.15Å; I64-L87 HydrophobicContact CG2-CD1 4.27Å; R66-L87 HydrophobicContact CB-CD1 4.36Å; E83-L87 WeakPolarHBondContact O-CB 3.32Å; E83-L87 PolarHBondContact O-N 2.74Å; L84-L87 PolarHBondContact O-N 3.45Å; L87-Q91 PolarHBondContact O-N 3.3Å
88D97.1Very high95.4Very high106 Ų10643.7 Ų43.757%0.56725%0.254SS*.Hα-helixtrans-69.7-39173.1-161.245.3000111.6L84 G85 I86 I90 Q91 V92L84-D88 PolarHBondContact O-N 2.93Å; G85-D88 PolarHBondContact O-N 3.47Å; I86-D88 VanDerWaalsContact C-N 3.28Å; I86-D88 PolarHBondContact O-N 3.17Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.27Å; D88-Q91 WeakPolarHBondContact O-CA 3.44Å; D88-Q91 VanDerWaalsContact O-CB 3.28Å; D88-Q91 WeakPolarHBondContact O-CB 3.36Å; D88-Q91 PolarHBondContact O-N 3.05Å; D88-V92 WeakPolarHBondContact O-CG2 3.34Å; D88-V92 PolarHBondContact O-N 2.87Å
89L97.7Very high95.6Very high8 Ų846.9 Ų46.94%0.04227%0.267CS..Hα-helixtrans-60.1-39.3173.6-176.364.6000112.6I2 F75 G85 I86 Q91 V92 F93 M123 V124 V129 T132I2-L89 HydrophobicContact CD1-CD2 3.94Å; F75-L89 HydrophobicContact CD2-CD2 4.32Å; F75-L89 HydrophobicContact CE2-CD2 3.73Å; F75-L89 HydrophobicContact CE2-CG 4.13Å; G85-L89 PolarHBondContact O-N 2.94Å; I86-L89 HydrophobicContact CD1-CD2 4.41Å; I86-L89 WeakPolarHBondContact O-CB 3.39Å; I86-L89 PolarHBondContact O-N 3.4Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.4Å; L89-V92 PolarHBondContact O-N 2.93Å; L89-F93 WeakPolarHBondContact O-CB 3.37Å; L89-F93 PolarHBondContact O-N 3.49Å; L89-M123 HydrophobicContact CD1-CE 3.64Å; L89-M123 HydrophobicContact CG-CE 4.49Å; L89-V124 HydrophobicContact CD2-CG2 4.12Å; L89-V129 HydrophobicContact CD1-CG1 4.06Å; L89-V129 HydrophobicContact CD2-CG1 4.49Å; L89-V129 HydrophobicContact CD2-CG2 3.61Å; L89-T132 HydrophobicContact CD1-CG2 4.39Å
90I97.8Very high95.9Very high0 Ų044.9 Ų44.90%025%0.253CS..Hα-helixtrans-58.9-43.4172.8-70.5167.8000110.3I64 R66 Y68 F73 F75 I86 D88 F93 V94I64-I90 HydrophobicContact CG2-CD1 4.08Å; R66-I90 HydrophobicContact CB-CG2 4.1Å; Y68-I90 HydrophobicContact CE2-CG2 3.82Å; F73-I90 HydrophobicContact CB-CG2 3.85Å; F75-I90 HydrophobicContact CB-CD1 4.42Å; F75-I90 HydrophobicContact CD1-CD1 3.82Å; F75-I90 HydrophobicContact CD1-CG1 3.44Å; F75-I90 VanDerWaalsContact CD1-CG1 3.44Å; F75-I90 HydrophobicContact CE1-CD1 4.41Å; F75-I90 HydrophobicContact CE1-CG1 3.55Å; F75-I90 HydrophobicContact CG-CD1 4.23Å; F75-I90 HydrophobicContact CG-CG1 3.99Å; F75-I90 HydrophobicContact CZ-CG1 4.14Å; I86-I90 WeakPolarHBondContact O-CG1 3.32Å; I86-I90 PolarHBondContact O-N 2.97Å; D88-I90 VanDerWaalsContact C-N 3.31Å; D88-I90 PolarHBondContact O-N 3.27Å; I90-F93 PolarHBondContact O-N 2.69Å; I90-V94 HydrophobicContact CG2-CG2 4.45Å; I90-V94 VanDerWaalsContact O-CG2 3.31Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 2.92Å
91Q96.8Very high96.1Very high52 Ų5241.3 Ų41.324%0.24322%0.224CC..Hα-helixtrans-61.6-50.4177.7-176.669.117.800111.2Y68 L87 D88 L89 F93 V94 E95Y68-Q91 PolarHBondContact OH-OE1 3.2Å; L87-Q91 PolarHBondContact O-N 3.3Å; D88-Q91 WeakPolarHBondContact O-CA 3.44Å; D88-Q91 VanDerWaalsContact O-CB 3.28Å; D88-Q91 WeakPolarHBondContact O-CB 3.36Å; D88-Q91 PolarHBondContact O-N 3.05Å; L89-Q91 VanDerWaalsContact C-N 3.28Å; L89-Q91 PolarHBondContact O-N 3.4Å; Q91-F93 PolarHBondContact O-N 3.16Å; Q91-V94 PolarHBondContact O-N 2.91Å; Q91-E95 HydrophobicContact CG-CG 4.46Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.31Å; Q91-E95 PolarHBondContact NE2-OE1 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 3.45Å
92V97.4Very high96.1Very high18 Ų1846.1 Ų46.111%0.10925%0.246CC..Hα-helixtrans-56.2-40.2176.9174.40000110.9D88 L89 T96 M123 T132 M134D88-V92 WeakPolarHBondContact O-CG2 3.34Å; D88-V92 PolarHBondContact O-N 2.87Å; L89-V92 PolarHBondContact O-N 2.93Å; V92-T96 VanDerWaalsContact O-CB 3.31Å; V92-T96 WeakPolarHBondContact O-CB 3.41Å; V92-T96 PolarHBondContact O-N 2.98Å; V92-T96 PolarHBondContact O-OG1 3.17Å; V92-M123 HydrophobicContact CB-CE 4.14Å; V92-M123 HydrophobicContact CG1-CE 3.7Å; V92-T132 WeakPolarHBondContact CG1-O 3.31Å; V92-M134 HydrophobicContact CG1-CG 3.96Å
93F97.9Very high95.9Very high0 Ų049.1 Ų49.10%026%0.257CS..Hα-helixtrans-65.7-47.2179.4-178.9-146.2000111.8I7 L16 F73 F75 L89 I90 Q91 T96 L97 V116 I119 L120 M123I7-F93 HydrophobicContact CD1-CE1 3.91Å; I7-F93 HydrophobicContact CD1-CZ 4.36Å; L16-F93 HydrophobicContact CD2-CE1 4.22Å; L16-F93 HydrophobicContact CD2-CZ 4.04Å; F73-F93 HydrophobicContact CD1-CD1 4.07Å; F73-F93 HydrophobicContact CD1-CE1 4.24Å; F73-F93 HydrophobicContact CE1-CD1 4.14Å; F73-F93 HydrophobicContact CE1-CE1 4.13Å; F75-F93 HydrophobicContact CE1-CD1 4.44Å; F75-F93 HydrophobicContact CZ-CD1 4.33Å; L89-F93 WeakPolarHBondContact O-CB 3.37Å; L89-F93 PolarHBondContact O-N 3.49Å; I90-F93 PolarHBondContact O-N 2.69Å; Q91-F93 PolarHBondContact O-N 3.16Å; F93-T96 PolarHBondContact O-N 3.42Å; F93-L97 HydrophobicContact CD2-CD1 4.15Å; F93-L97 HydrophobicContact CD2-CG 4.09Å; F93-L97 HydrophobicContact CE1-CD1 4.25Å; F93-L97 HydrophobicContact CE2-CD1 3.82Å; F93-L97 HydrophobicContact CE2-CD2 3.99Å; F93-L97 HydrophobicContact CE2-CG 3.84Å; F93-L97 HydrophobicContact CG-CD1 4.49Å; F93-L97 HydrophobicContact CZ-CD1 3.88Å; F93-L97 HydrophobicContact CZ-CD2 4.48Å; F93-L97 HydrophobicContact CZ-CG 4.38Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 3.37Å; F93-V116 HydrophobicContact CZ-CG1 4.29Å; F93-I119 HydrophobicContact CD2-CG2 4.3Å; F93-I119 HydrophobicContact CE2-CG2 4.06Å; F93-L120 HydrophobicContact CE1-CD1 4.34Å; F93-L120 HydrophobicContact CE2-CB 4.21Å; F93-L120 HydrophobicContact CE2-CD1 4.4Å; F93-L120 HydrophobicContact CZ-CB 4.15Å; F93-L120 HydrophobicContact CZ-CD1 4.18Å; F93-M123 HydrophobicContact CB-CE 3.76Å; F93-M123 HydrophobicContact CB-SD 3.87Å; F93-M123 HydrophobicContact CD2-SD 3.59Å; F93-M123 VanDerWaalsContact CD2-SD 3.59Å; F93-M123 HydrophobicContact CG-SD 4.09Å
94V96.9Very high95.9Very high19 Ų1948.2 Ų48.212%0.11526%0.255CS..Hα-helixtrans-64.1-42.4178.4177.10000111.4Y68 F73 I90 Q91 T96 L97 D98Y68-V94 HydrophobicContact CD1-CG1 4.04Å; Y68-V94 HydrophobicContact CD2-CG2 3.79Å; Y68-V94 HydrophobicContact CE1-CB 4.34Å; Y68-V94 HydrophobicContact CE1-CG1 3.98Å; Y68-V94 HydrophobicContact CE1-CG2 4.34Å; Y68-V94 HydrophobicContact CE2-CB 4.25Å; Y68-V94 HydrophobicContact CE2-CG1 4.44Å; Y68-V94 HydrophobicContact CE2-CG2 3.4Å; Y68-V94 HydrophobicContact CG-CG1 4.29Å; Y68-V94 HydrophobicContact CG-CG2 4.38Å; F73-V94 HydrophobicContact CD1-CG2 3.79Å; F73-V94 HydrophobicContact CD2-CG2 4.22Å; F73-V94 HydrophobicContact CE1-CG2 3.61Å; F73-V94 HydrophobicContact CE2-CG2 4.05Å; F73-V94 HydrophobicContact CG-CG2 4.09Å; F73-V94 HydrophobicContact CZ-CG2 3.75Å; I90-V94 HydrophobicContact CG2-CG2 4.45Å; I90-V94 VanDerWaalsContact O-CG2 3.31Å; I90-V94 WeakPolarHBondContact O-CG2 3.48Å; I90-V94 PolarHBondContact O-N 2.92Å; Q91-V94 PolarHBondContact O-N 2.91Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.96Å; V94-L97 PolarHBondContact O-N 3.29Å; V94-D98 WeakPolarHBondContact O-CB 3.48Å; V94-D98 PolarHBondContact O-N 3.3Å
95E96.8Very high95.9Very high71 Ų7145.3 Ų45.333%0.33224%0.244SC..Hα-helixtrans-65.1-35.6176.5-71.3-178.2-172.200112.5Q91 D98 K99 M134Q91-E95 HydrophobicContact CG-CG 4.46Å; Q91-E95 WeakPolarHBondContact CG-OE1 3.31Å; Q91-E95 PolarHBondContact NE2-OE1 3.24Å; Q91-E95 WeakPolarHBondContact O-CG 3.47Å; Q91-E95 PolarHBondContact O-N 3.45Å; E95-D98 PolarHBondContact O-N 2.82Å; E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 2.9Å; E95-M134 HydrophobicContact CB-SD 3.65Å; E95-M134 WeakPolarHBondContact OE2-CE 3.14Å
96T96.8Very high95.8Very high0 Ų045.2 Ų45.20%023%0.233CC..Hα-helixtrans-67-43.9174.8-57.50000110.8V92 F93 V94 D98 K99 C100 I119 I137 I138V92-T96 VanDerWaalsContact O-CB 3.31Å; V92-T96 WeakPolarHBondContact O-CB 3.41Å; V92-T96 PolarHBondContact O-N 2.98Å; V92-T96 PolarHBondContact O-OG1 3.17Å; F93-T96 PolarHBondContact O-N 3.42Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.96Å; T96-D98 VanDerWaalsContact C-N 3.34Å; T96-D98 PolarHBondContact O-N 3.32Å; T96-K99 PolarHBondContact O-N 2.91Å; T96-C100 WeakPolarHBondContact O-CB 3.49Å; T96-C100 PolarHBondContact O-N 2.96Å; T96-C100 PolarHBondContact O-SG 2.85Å; T96-I119 HydrophobicContact CG2-CG2 3.72Å; T96-I137 HydrophobicContact CG2-CB 4.39Å; T96-I137 HydrophobicContact CG2-CG2 3.72Å; T96-I138 HydrophobicContact CG2-CG1 4.22Å
97L96.9Very high95.7Very high1 Ų149.4 Ų49.41%0.00526%0.255CS..Hα-helixtrans-59.1-46.1173.7-69.5170.3000111F73 F93 V94 K99 C100 F101 V104 V116 I119F73-L97 HydrophobicContact CE1-CD1 3.96Å; F73-L97 HydrophobicContact CZ-CD1 4.28Å; F93-L97 HydrophobicContact CD2-CD1 4.15Å; F93-L97 HydrophobicContact CD2-CG 4.09Å; F93-L97 HydrophobicContact CE1-CD1 4.25Å; F93-L97 HydrophobicContact CE2-CD1 3.82Å; F93-L97 HydrophobicContact CE2-CD2 3.99Å; F93-L97 HydrophobicContact CE2-CG 3.84Å; F93-L97 HydrophobicContact CG-CD1 4.49Å; F93-L97 HydrophobicContact CZ-CD1 3.88Å; F93-L97 HydrophobicContact CZ-CD2 4.48Å; F93-L97 HydrophobicContact CZ-CG 4.38Å; F93-L97 WeakPolarHBondContact O-CG 3.4Å; F93-L97 PolarHBondContact O-N 3.37Å; V94-L97 PolarHBondContact O-N 3.29Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.43Å; L97-C100 PolarHBondContact O-N 3.36Å; L97-C100 VanDerWaalsContact O-N 3.17Å; L97-F101 HydrophobicContact CD2-CD2 4.39Å; L97-F101 HydrophobicContact CD2-CE2 3.93Å; L97-F101 VanDerWaalsContact O-CD2 3.29Å; L97-F101 WeakPolarHBondContact O-CD2 3.4Å; L97-F101 PolarHBondContact O-N 3.09Å; L97-V104 HydrophobicContact CB-CG1 4.33Å; L97-V104 HydrophobicContact CB-CG2 4.35Å; L97-V116 HydrophobicContact CD2-CG1 4.19Å; L97-V116 HydrophobicContact CD2-CG2 4.24Å; L97-I119 HydrophobicContact CD2-CD1 3.87Å; L97-I119 HydrophobicContact CD2-CG2 4.34Å
98D95.8Very high95.7Very high68 Ų6850.4 Ų50.436%0.36426%0.261SS..Hα-helixtrans-60.1-42.1-179.6-169.158.9000112.9V94 E95 T96 E102 N103 V104V94-D98 WeakPolarHBondContact O-CB 3.48Å; V94-D98 PolarHBondContact O-N 3.3Å; E95-D98 PolarHBondContact O-N 2.82Å; T96-D98 VanDerWaalsContact C-N 3.34Å; T96-D98 PolarHBondContact O-N 3.32Å; D98-E102 WeakPolarHBondContact O-CA 3.47Å; D98-E102 PolarHBondContact O-N 2.73Å; D98-N103 PolarHBondContact O-N 3.31Å; D98-N103 WeakPolarHBondContact OD1-CA 3.43Å; D98-V104 HydrophobicContact CB-CG1 4.02Å; D98-V104 PolarHBondContact OD1-N 3.3Å
99K94.9Very high95.6Very high98 Ų9845.6 Ų45.643%0.42624%0.235SC..Hα-helixtrans-67-41173.7-73.5175.3-178.51700112.8E95 T96 L97 F101 M134 I138E95-K99 WeakPolarHBondContact O-CG 3.31Å; E95-K99 PolarHBondContact O-N 2.9Å; T96-K99 PolarHBondContact O-N 2.91Å; L97-K99 VanDerWaalsContact C-N 3.34Å; L97-K99 PolarHBondContact O-N 3.43Å; K99-F101 VanDerWaalsContact C-N 3.33Å; K99-F101 PolarHBondContact O-N 3.15Å; K99-M134 HydrophobicContact CD-SD 4.4Å; K99-M134 PolarHBondContact NZ-SD 3.05Å; K99-I138 HydrophobicContact CB-CD1 3.8Å; K99-I138 HydrophobicContact CD-CD1 3.68Å; K99-I138 HydrophobicContact CG-CD1 4.4Å
100C94Very high95.5Very high20 Ų2048.4 Ų48.414%0.13525%0.249CC..Hα-helixtrans-71.4-25.8-178.4-75.70000113.8T96 L97 K115 I119T96-C100 WeakPolarHBondContact O-CB 3.49Å; T96-C100 PolarHBondContact O-N 2.96Å; T96-C100 PolarHBondContact O-SG 2.85Å; L97-C100 PolarHBondContact O-N 3.36Å; L97-C100 VanDerWaalsContact O-N 3.17Å; C100-K115 PolarHBondContact O-NZ 3.36Å; C100-I119 HydrophobicContact CB-CD1 3.72Å
101F94.2Very high95.4Very high30 Ų3055.2 Ų55.213%0.13228%0.279CS..Hα-helixtrans-109.9-3.8-178.3-70.4-76000114.1L97 K99 V104 D108 H112 K115 V116 I119L97-F101 HydrophobicContact CD2-CD2 4.39Å; L97-F101 HydrophobicContact CD2-CE2 3.93Å; L97-F101 VanDerWaalsContact O-CD2 3.29Å; L97-F101 WeakPolarHBondContact O-CD2 3.4Å; L97-F101 PolarHBondContact O-N 3.09Å; K99-F101 VanDerWaalsContact C-N 3.33Å; K99-F101 PolarHBondContact O-N 3.15Å; F101-V104 HydrophobicContact CB-CB 3.92Å; F101-V104 HydrophobicContact CB-CG2 3.99Å; F101-V104 HydrophobicContact CD2-CB 4.4Å; F101-V104 HydrophobicContact CD2-CG2 3.78Å; F101-V104 HydrophobicContact CG-CG2 4.09Å; F101-D108 HydrophobicContact CD1-CB 3.85Å; F101-D108 HydrophobicContact CE1-CB 4.14Å; F101-D108 HydrophobicContact CG-CB 4.17Å; F101-H112 HydrophobicContact CE1-CB 3.71Å; F101-H112 AromaticContact CE1-CD2 3.94Å; F101-H112 HydrophobicContact CZ-CB 3.96Å; F101-K115 HydrophobicContact CE1-CD 3.81Å; F101-K115 HydrophobicContact CZ-CB 4.18Å; F101-K115 HydrophobicContact CZ-CD 3.74Å; F101-K115 HydrophobicContact CZ-CG 4.02Å; F101-V116 HydrophobicContact CE2-CG2 4.1Å; F101-V116 HydrophobicContact CZ-CG2 4.08Å; F101-I119 HydrophobicContact CE2-CD1 4.14Å
102E92.5Very high95.3Very high163 Ų16357.3 Ų57.376%0.76229%0.288SS*.THydrogen-bonded Turntrans55.870.4-179-58.3-178169.500112.9D98D98-E102 WeakPolarHBondContact O-CA 3.47Å; D98-E102 PolarHBondContact O-N 2.73Å
103N90.7Very high95.1Very high133 Ų13358.9 Ų58.971%0.71130%0.298SS*.SBendtrans79.570.8-169.5-45.6-76.1000112.4D98D98-N103 PolarHBondContact O-N 3.31Å; D98-N103 WeakPolarHBondContact OD1-CA 3.43Å
104V94.3Very high94.9Very high39 Ų3964.3 Ų64.324%0.23633%0.327CS..  trans-61.8137.8-174.368.20000112L97 D98 F101 D108 L109L97-V104 HydrophobicContact CB-CG1 4.33Å; L97-V104 HydrophobicContact CB-CG2 4.35Å; D98-V104 HydrophobicContact CB-CG1 4.02Å; D98-V104 PolarHBondContact OD1-N 3.3Å; F101-V104 HydrophobicContact CB-CB 3.92Å; F101-V104 HydrophobicContact CB-CG2 3.99Å; F101-V104 HydrophobicContact CD2-CB 4.4Å; F101-V104 HydrophobicContact CD2-CG2 3.78Å; F101-V104 HydrophobicContact CG-CG2 4.09Å; V104-D108 HydrophobicContact CG2-CB 4.28Å; V104-L109 HydrophobicContact CG2-CD1 3.45Å; V104-L109 VanDerWaalsContact CG2-CD1 3.45Å
105C94.3Very high94.7Very high60 Ų6065.9 Ų65.941%0.40533%0.332SS..  trans-124.8165.8170.775.40000112.2L107 D108C105-L107 PolarHBondContact O-N 3.17Å; C105-L107 VanDerWaalsContact O-N 3.08Å; C105-D108 PolarHBondContact N-OD2 2.9Å; C105-D108 WeakPolarHBondContact O-CB 3.28Å; C105-D108 PolarHBondContact O-N 3.4Å; C105-D108 PolarHBondContact SG-OD2 2.92Å
106E95.2Very high94.7Very high40 Ų4062.6 Ų62.619%0.18732%0.317CS..Hα-helixtrans-53.8-32.5178.1170.2174-179.700112.6N9 R15 T70 L71 D108 L109 I110N9-E106 VanDerWaalsContact CB-OE1 3.25Å; N9-E106 WeakPolarHBondContact CB-OE1 3.45Å; N9-E106 PolarHBondContact ND2-OE1 3.1Å; N9-E106 VanDerWaalsContact ND2-OE1 3.08Å; R15-E106 IonicContact CZ-OE1 3.81Å; R15-E106 IonicContact NE-OE1 2.88Å; R15-E106 PolarHBondContact NE-OE1 3.03Å; R15-E106 IonicContact NH2-OE1 3.41Å; R15-E106 PolarHBondContact NH2-OE1 2.96Å; T70-E106 PolarHBondContact OG1-OE2 2.79Å; L71-E106 HydrophobicContact CD1-CB 4.19Å; L71-E106 HydrophobicContact CD2-CB 4.2Å; 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 2.97Å; E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CG1 3.21Å; E106-I110 PolarHBondContact O-N 2.82Å
107L95.2Very high94.7Very high93 Ų9365.7 Ų65.749%0.48733%0.331SS..Hα-helixtrans-69.5-32.4-178.4-161.962.8000112.3C105 I110 F111C105-L107 PolarHBondContact O-N 3.17Å; C105-L107 VanDerWaalsContact O-N 3.08Å; L107-I110 HydrophobicContact CD1-CD1 4.33Å; L107-I110 WeakPolarHBondContact O-CB 3.4Å; L107-I110 PolarHBondContact O-N 2.84Å; L107-I110 VanDerWaalsContact O-N 3.17Å; L107-F111 HydrophobicContact CD1-CD2 3.94Å; L107-F111 HydrophobicContact CD1-CE2 3.42Å; L107-F111 VanDerWaalsContact CD1-CE2 3.42Å; L107-F111 HydrophobicContact CD1-CZ 4.2Å; L107-F111 HydrophobicContact CD2-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 3.8Å; L107-F111 HydrophobicContact CG-CD2 3.6Å; L107-F111 HydrophobicContact CG-CE2 3.38Å; L107-F111 WeakPolarHBondContact O-CD2 3.41Å; L107-F111 PolarHBondContact O-N 3.04Å
108D96Very high94.6Very high40 Ų4068.4 Ų68.421%0.21434%0.344CS..Hα-helixtrans-65.9-40.8176.2-59.6-46000111.1F101 V104 C105 E106 I110 F111 H112F101-D108 HydrophobicContact CD1-CB 3.85Å; F101-D108 HydrophobicContact CE1-CB 4.14Å; F101-D108 HydrophobicContact CG-CB 4.17Å; V104-D108 HydrophobicContact CG2-CB 4.28Å; C105-D108 PolarHBondContact N-OD2 2.9Å; C105-D108 WeakPolarHBondContact O-CB 3.28Å; C105-D108 PolarHBondContact O-N 3.4Å; C105-D108 PolarHBondContact SG-OD2 2.92Å; E106-D108 VanDerWaalsContact C-N 3.34Å; D108-I110 PolarHBondContact O-N 3.08Å; D108-F111 PolarHBondContact O-N 3.13Å; D108-H112 WeakPolarHBondContact O-CA 3.45Å; D108-H112 WeakPolarHBondContact O-CB 3.48Å; D108-H112 PolarHBondContact O-N 2.85Å
109L96.1Very high94.6Very high4 Ų465.2 Ų65.22%0.02133%0.327CS..Hα-helixtrans-62.9-30.7175-83.162.4000111.9I7 L71 V104 E106 V116I7-L109 HydrophobicContact CD1-CD2 4.06Å; I7-L109 HydrophobicContact CG2-CD2 4.18Å; L71-L109 HydrophobicContact CD1-CD2 3.76Å; V104-L109 HydrophobicContact CG2-CD1 3.45Å; V104-L109 VanDerWaalsContact CG2-CD1 3.45Å; E106-L109 PolarHBondContact O-N 2.97Å; L109-V116 HydrophobicContact CB-CG2 4.4Å; L109-V116 HydrophobicContact CD1-CG2 4.46Å; L109-V116 HydrophobicContact CG-CG2 3.96Å
110I95.3Very high94.7Very high67 Ų6760.7 Ų60.734%0.34431%0.307SS..Hα-helixtrans-76.7-45.7178.8-64.5165.8000111.2E106 L107 D108E106-I110 HydrophobicContact CG-CD1 4.07Å; E106-I110 WeakPolarHBondContact O-CG1 3.21Å; E106-I110 PolarHBondContact O-N 2.82Å; L107-I110 HydrophobicContact CD1-CD1 4.33Å; L107-I110 WeakPolarHBondContact O-CB 3.4Å; L107-I110 PolarHBondContact O-N 2.84Å; L107-I110 VanDerWaalsContact O-N 3.17Å; D108-I110 PolarHBondContact O-N 3.08Å
111F95.4Very high94.8Very high144 Ų14461.3 Ų61.363%0.63231%0.314SS*.Hα-helixtrans-83-22.5-176-74.1-58.7000113.9L107 D108L107-F111 HydrophobicContact CD1-CD2 3.94Å; L107-F111 HydrophobicContact CD1-CE2 3.42Å; L107-F111 VanDerWaalsContact CD1-CE2 3.42Å; L107-F111 HydrophobicContact CD1-CZ 4.2Å; L107-F111 HydrophobicContact CD2-CD2 4.32Å; L107-F111 HydrophobicContact CD2-CE2 3.8Å; L107-F111 HydrophobicContact CG-CD2 3.6Å; L107-F111 HydrophobicContact CG-CE2 3.38Å; L107-F111 WeakPolarHBondContact O-CD2 3.41Å; L107-F111 PolarHBondContact O-N 3.04Å; D108-F111 PolarHBondContact O-N 3.13Å
112H94.6Very high94.9Very high95 Ų9562 Ų6244%0.4432%0.318SS..THydrogen-bonded Turntrans-123.545.5-176.9-59.3-60.6000112.1F101 D108 D114 K115 V116F101-H112 HydrophobicContact CE1-CB 3.71Å; F101-H112 AromaticContact CE1-CD2 3.94Å; F101-H112 HydrophobicContact CZ-CB 3.96Å; D108-H112 WeakPolarHBondContact O-CA 3.45Å; D108-H112 WeakPolarHBondContact O-CB 3.48Å; D108-H112 PolarHBondContact O-N 2.85Å; H112-D114 PolarHBondContact O-N 3.44Å; H112-K115 HydrophobicContact CB-CB 4.22Å; H112-K115 PolarHBondContact O-N 3Å; H112-K115 VanDerWaalsContact O-N 3.13Å; H112-V116 WeakPolarHBondContact O-CG2 3.3Å; H112-V116 PolarHBondContact O-N 3.49Å; H112-V116 VanDerWaalsContact O-N 3.11Å
113V94Very high95.1Very high52 Ų5254.3 Ų54.332%0.31528%0.282SS..Hα-helixtrans-56.5-37.9-178.869.10000112.6V116 H117V113-V116 PolarHBondContact O-N 3.22Å; V113-H117 PolarHBondContact O-CD2 3.21Å; V113-H117 VanDerWaalsContact O-CD2 3.24Å; V113-H117 PolarHBondContact O-N 3.45Å
114D92.8Very high95.4Very high113 Ų11348.1 Ų48.160%0.60425%0.249SC*.Hα-helixtrans-60.6-50.1177.4-56-53.7000110.5H112 V116 H117 H118H112-D114 PolarHBondContact O-N 3.44Å; D114-V116 VanDerWaalsContact C-N 3.29Å; D114-V116 PolarHBondContact O-N 2.93Å; D114-H117 CarbonylContact O-C 3.59Å; D114-H117 WeakPolarHBondContact O-CA 3.19Å; D114-H117 WeakPolarHBondContact O-CB 3.06Å; D114-H117 PolarHBondContact O-N 2.91Å; D114-H118 VanDerWaalsContact C-CD2 3.41Å; D114-H118 PolarHBondContact O-CD2 3.05Å; D114-H118 PolarHBondContact O-N 3.29Å
115K94.1Very high95.5Very high53 Ų5351.6 Ų51.623%0.2326%0.264CS..Hα-helixtrans-59.3-39.5178.2-172.6176.1175.2-168.70111.9C100 F101 H112 H118 I119C100-K115 PolarHBondContact O-NZ 3.36Å; F101-K115 HydrophobicContact CE1-CD 3.81Å; F101-K115 HydrophobicContact CZ-CB 4.18Å; F101-K115 HydrophobicContact CZ-CD 3.74Å; F101-K115 HydrophobicContact CZ-CG 4.02Å; H112-K115 HydrophobicContact CB-CB 4.22Å; H112-K115 PolarHBondContact O-N 3Å; H112-K115 VanDerWaalsContact O-N 3.13Å; K115-H118 PolarHBondContact O-N 3.44Å; K115-I119 HydrophobicContact CG-CD1 4.12Å; K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.48Å; K115-I119 PolarHBondContact O-N 3.11Å
116V96.6Very high95.4Very high2 Ų251.2 Ų51.21%0.01227%0.27CS..Hα-helixtrans-63.8-42175.5179.10000111L16 F93 L97 F101 L109 H112 V113 D114 I119 L120L16-V116 HydrophobicContact CD1-CG1 3.92Å; L16-V116 HydrophobicContact CD2-CG1 3.96Å; L16-V116 HydrophobicContact CG-CG1 4.47Å; F93-V116 HydrophobicContact CZ-CG1 4.29Å; L97-V116 HydrophobicContact CD2-CG1 4.19Å; L97-V116 HydrophobicContact CD2-CG2 4.24Å; F101-V116 HydrophobicContact CE2-CG2 4.1Å; F101-V116 HydrophobicContact CZ-CG2 4.08Å; L109-V116 HydrophobicContact CB-CG2 4.4Å; L109-V116 HydrophobicContact CD1-CG2 4.46Å; L109-V116 HydrophobicContact CG-CG2 3.96Å; H112-V116 WeakPolarHBondContact O-CG2 3.3Å; H112-V116 PolarHBondContact O-N 3.49Å; H112-V116 VanDerWaalsContact O-N 3.11Å; V113-V116 PolarHBondContact O-N 3.22Å; D114-V116 VanDerWaalsContact C-N 3.29Å; D114-V116 PolarHBondContact O-N 2.93Å; V116-I119 PolarHBondContact O-N 3.22Å; V116-L120 WeakPolarHBondContact O-CB 3.19Å; V116-L120 PolarHBondContact O-N 2.96Å
117H95.6Very high95.4Very high64 Ų6449.3 Ų49.330%0.29626%0.262SS..Hα-helixtrans-65-38.6175-82.5-69.1000112.8L16 V113 D114 L120 A121L16-H117 WeakPolarHBondContact CD1-CE1 3.46Å; L16-H117 WeakPolarHBondContact CD1-NE2 3.48Å; V113-H117 PolarHBondContact O-CD2 3.21Å; V113-H117 VanDerWaalsContact O-CD2 3.24Å; V113-H117 PolarHBondContact O-N 3.45Å; D114-H117 CarbonylContact O-C 3.59Å; D114-H117 WeakPolarHBondContact O-CA 3.19Å; D114-H117 WeakPolarHBondContact O-CB 3.06Å; D114-H117 PolarHBondContact O-N 2.91Å; H117-L120 PolarHBondContact O-N 3.31Å; H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 3.41Å
118H94.8Very high95.4Very high59 Ų5950.3 Ų50.327%0.27327%0.265SS..Hα-helixtrans-63.5-47.4174.8-67.9-61.6000111.6D114 K115 L120 A121 E122 E148D114-H118 VanDerWaalsContact C-CD2 3.41Å; D114-H118 PolarHBondContact O-CD2 3.05Å; D114-H118 PolarHBondContact O-N 3.29Å; K115-H118 PolarHBondContact O-N 3.44Å; H118-L120 VanDerWaalsContact C-N 3.3Å; H118-L120 PolarHBondContact O-N 3.39Å; H118-A121 PolarHBondContact O-N 3.31Å; H118-A121 VanDerWaalsContact O-N 3.11Å; H118-E122 PolarHBondContact O-N 2.92Å; H118-E122 VanDerWaalsContact O-N 3.12Å; H118-E148 IonicContact CE1-OE1 2.8Å; H118-E148 IonicContact NE2-OE1 2.81Å
119I96.3Very high95.4Very high0 Ų051.4 Ų51.40%027%0.273CS..Hα-helixtrans-57.9-45.9175.1-66.7164000110.3F93 T96 L97 C100 F101 K115 V116 A121 E122 M123 V141F93-I119 HydrophobicContact CD2-CG2 4.3Å; F93-I119 HydrophobicContact CE2-CG2 4.06Å; T96-I119 HydrophobicContact CG2-CG2 3.72Å; L97-I119 HydrophobicContact CD2-CD1 3.87Å; L97-I119 HydrophobicContact CD2-CG2 4.34Å; C100-I119 HydrophobicContact CB-CD1 3.72Å; F101-I119 HydrophobicContact CE2-CD1 4.14Å; K115-I119 HydrophobicContact CG-CD1 4.12Å; K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.48Å; K115-I119 PolarHBondContact O-N 3.11Å; V116-I119 PolarHBondContact O-N 3.22Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 2.94Å; I119-E122 PolarHBondContact O-N 3.3Å; I119-M123 PolarHBondContact O-N 3.16Å; I119-V141 HydrophobicContact CB-CG2 4.47Å; I119-V141 HydrophobicContact CG1-CG1 4.01Å; I119-V141 HydrophobicContact CG1-CG2 3.88Å
120L97.4Very high95.4Very high3 Ų355.9 Ų55.92%0.01630%0.296CS..Hα-helixtrans-63.2-37.617818060.9000112.1I5 L16 K18 F93 V116 H117 H118 E122 M123 V124I5-L120 HydrophobicContact CB-CD2 4.36Å; I5-L120 HydrophobicContact CD1-CD1 3.69Å; I5-L120 HydrophobicContact CD1-CD2 4.24Å; I5-L120 HydrophobicContact CD1-CG 4.49Å; I5-L120 HydrophobicContact CG2-CD2 4.22Å; L16-L120 HydrophobicContact CD2-CD2 3.86Å; K18-L120 HydrophobicContact CB-CD2 3.93Å; K18-L120 HydrophobicContact CG-CD2 4.1Å; F93-L120 HydrophobicContact CE1-CD1 4.34Å; F93-L120 HydrophobicContact CE2-CB 4.21Å; F93-L120 HydrophobicContact CE2-CD1 4.4Å; F93-L120 HydrophobicContact CZ-CB 4.15Å; F93-L120 HydrophobicContact CZ-CD1 4.18Å; V116-L120 WeakPolarHBondContact O-CB 3.19Å; V116-L120 PolarHBondContact O-N 2.96Å; H117-L120 PolarHBondContact O-N 3.31Å; H118-L120 VanDerWaalsContact C-N 3.3Å; H118-L120 PolarHBondContact O-N 3.39Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.87Å; L120-M123 PolarHBondContact O-N 2.99Å; L120-M123 VanDerWaalsContact O-N 3.11Å; L120-V124 HydrophobicContact CD1-CB 4.45Å; L120-V124 HydrophobicContact CD1-CG2 4.49Å; L120-V124 PolarHBondContact O-N 2.96Å
121A95.9Very high95.4Very high34 Ų3455.9 Ų55.928%0.28130%0.295SS..Hα-helixtrans-66.8-32.6-179.600000112.8H117 H118 I119 M123 M125H117-A121 WeakPolarHBondContact O-CB 3.45Å; H117-A121 PolarHBondContact O-N 3.41Å; H118-A121 PolarHBondContact O-N 3.31Å; H118-A121 VanDerWaalsContact O-N 3.11Å; I119-A121 VanDerWaalsContact C-N 3.3Å; I119-A121 PolarHBondContact O-N 2.94Å; A121-M123 PolarHBondContact O-N 3.02Å; A121-M125 WeakPolarHBondContact O-CG 3.21Å
122E96.1Very high95.4Very high44 Ų4453 Ų5321%0.20629%0.289CS..Hα-helixtrans-66.9-28.8171.9-66-51.812200112.2H118 I119 L120 I137 Q140 V141 Q144H118-E122 PolarHBondContact O-N 2.92Å; H118-E122 VanDerWaalsContact O-N 3.12Å; I119-E122 PolarHBondContact O-N 3.3Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.87Å; E122-I137 HydrophobicContact CB-CG2 3.94Å; E122-Q140 HydrophobicContact CG-CB 4.27Å; E122-Q140 VanDerWaalsContact OE2-CB 3.31Å; E122-Q140 WeakPolarHBondContact OE2-CB 3.44Å; E122-V141 HydrophobicContact CG-CG2 3.84Å; E122-Q144 PolarHBondContact OE1-NE2 3.44Å
123M96.9Very high95.5Very high2 Ų252 Ų521%0.0129%0.287CS..Hα-helixtrans-87.1-44.1-179.2-64.2-174.86500113.3L89 V92 F93 I119 L120 A121 L130 I137L89-M123 HydrophobicContact CD1-CE 3.64Å; L89-M123 HydrophobicContact CG-CE 4.49Å; V92-M123 HydrophobicContact CB-CE 4.14Å; V92-M123 HydrophobicContact CG1-CE 3.7Å; F93-M123 HydrophobicContact CB-CE 3.76Å; F93-M123 HydrophobicContact CB-SD 3.87Å; 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 3.16Å; L120-M123 PolarHBondContact O-N 2.99Å; L120-M123 VanDerWaalsContact O-N 3.11Å; A121-M123 PolarHBondContact O-N 3.02Å; M123-L130 PolarHBondContact O-N 3.48Å; M123-I137 HydrophobicContact CE-CD1 4.46Å; M123-I137 HydrophobicContact CG-CD1 3.62Å; M123-I137 HydrophobicContact CG-CG1 4.19Å; M123-I137 HydrophobicContact CG-CG2 4.27Å; M123-I137 HydrophobicContact SD-CD1 4.23Å
124V97.3Very high95.5Very high3 Ų351.4 Ų51.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-138.8125-172-176.30000110.2I2 I5 Y20 L89 L120 M128I2-V124 HydrophobicContact CD1-CG1 3.94Å; I2-V124 HydrophobicContact CD1-CG2 4.11Å; I5-V124 HydrophobicContact CD1-CB 4.37Å; I5-V124 HydrophobicContact CD1-CG1 4.35Å; I5-V124 HydrophobicContact CD1-CG2 4.26Å; Y20-V124 HydrophobicContact CE1-CG1 4.17Å; Y20-V124 HydrophobicContact CE2-CG1 3.82Å; Y20-V124 WeakPolarHBondContact OH-CB 3.35Å; Y20-V124 VanDerWaalsContact OH-CG1 3.3Å; Y20-V124 WeakPolarHBondContact OH-CG1 3.47Å; Y20-V124 PolarHBondContact OH-O 2.97Å; L89-V124 HydrophobicContact CD2-CG2 4.12Å; L120-V124 HydrophobicContact CD1-CB 4.45Å; L120-V124 HydrophobicContact CD1-CG2 4.49Å; L120-V124 PolarHBondContact O-N 2.96Å; V124-M128 VanDerWaalsContact CA-O 3.31Å; V124-M128 WeakPolarHBondContact CA-O 3.23Å; V124-M128 WeakPolarHBondContact CG1-O 3.18Å
125M95.1Very high95.6Very high111 Ų11151 Ų5155%0.54728%0.279SS..EExtended strand (participates in β ladder)trans-133.1139.7170.5-69.7-143.9-7200111.7A121 G127 M128 L130A121-M125 WeakPolarHBondContact O-CG 3.21Å; M125-G127 PolarHBondContact O-N 3.16Å; M125-G127 VanDerWaalsContact O-N 3.13Å; M125-M128 PolarHBondContact N-O 2.93Å; M125-M128 PolarHBondContact O-N 3.37Å; M125-L130 HydrophobicContact CB-CD1 3.75Å; M125-L130 HydrophobicContact CB-CG 4.35Å; M125-L130 HydrophobicContact CE-CD1 3.72Å; M125-L130 HydrophobicContact CG-CD1 3.64Å
126G93.9Very high95.7Very high52 Ų5253 Ų5354%0.53629%0.289SS..THydrogen-bonded Turntrans57.626.6-179.700000113.8M1 M128M1-G126 VanDerWaalsContact CE-O 3.27Å; M1-G126 WeakPolarHBondContact CE-O 3.46Å; G126-M128 VanDerWaalsContact C-N 3.27Å; G126-M128 PolarHBondContact O-N 3.48Å
127G93.8Very high95.7Very high1 Ų152.9 Ų52.91%0.0129%0.289CS..THydrogen-bonded Turntrans77.58.8-176.600000115I2 Y20 M125I2-G127 WeakPolarHBondContact CB-O 3.31Å; I2-G127 PolarHBondContact N-O 3.14Å; I2-G127 WeakPolarHBondContact O-CA 3.09Å; Y20-G127 VanDerWaalsContact CG-N 3.28Å; M125-G127 PolarHBondContact O-N 3.16Å; M125-G127 VanDerWaalsContact O-N 3.13Å
128M94.9Very high95.6Very high114 Ų11451.5 Ų51.556%0.56228%0.283SS*.EExtended strand (participates in β ladder)trans-111.9139.3178.6-60.3-66.1-69.200110.2V124 M125 G126V124-M128 VanDerWaalsContact CA-O 3.31Å; V124-M128 WeakPolarHBondContact CA-O 3.23Å; V124-M128 WeakPolarHBondContact CG1-O 3.18Å; M125-M128 PolarHBondContact N-O 2.93Å; M125-M128 PolarHBondContact O-N 3.37Å; G126-M128 VanDerWaalsContact C-N 3.27Å; G126-M128 PolarHBondContact O-N 3.48Å
129V96Very high95.7Very high62 Ų6252.5 Ų52.538%0.37629%0.294SS..EExtended strand (participates in β ladder)trans-75.1127.4174.5-174.30000108.9I2 L89 T132I2-V129 HydrophobicContact CD1-CG2 4.02Å; L89-V129 HydrophobicContact CD1-CG1 4.06Å; L89-V129 HydrophobicContact CD2-CG1 4.49Å; L89-V129 HydrophobicContact CD2-CG2 3.61Å; V129-T132 HydrophobicContact CG1-CG2 3.77Å
130L95.8Very high95.6Very high98 Ų9856.7 Ų56.751%0.51331%0.313SS..  trans-101.4-52.1179.8-65.9-177.4000111.8M123 M125M123-L130 PolarHBondContact O-N 3.48Å; M125-L130 HydrophobicContact CB-CD1 3.75Å; M125-L130 HydrophobicContact CB-CG 4.35Å; M125-L130 HydrophobicContact CE-CD1 3.72Å; M125-L130 HydrophobicContact CG-CD1 3.64Å
131E95.9Very high95.3Very high68 Ų6856.6 Ų56.632%0.31831%0.313SS..  trans-137.2139.1-174.1-173.355.2-96.800110.5N133 E136 I137E131-N133 VanDerWaalsContact OE1-CB 3.26Å; E131-N133 WeakPolarHBondContact OE1-CB 3.25Å; E131-N133 PolarHBondContact OE1-N 2.98Å; E131-E136 HydrophobicContact CG-CB 4.15Å; E131-I137 HydrophobicContact CB-CG1 4.04Å; E131-I137 HydrophobicContact CG-CD1 4.19Å; E131-I137 HydrophobicContact CG-CG1 3.63Å
132T96Very high95.1Very high83 Ų8359.3 Ų59.351%0.50932%0.323SS..  trans-122.1-11.7177.758.30000112L89 V92 V129 M134L89-T132 HydrophobicContact CD1-CG2 4.39Å; V92-T132 WeakPolarHBondContact CG1-O 3.31Å; V129-T132 HydrophobicContact CG1-CG2 3.77Å; T132-M134 PolarHBondContact O-N 2.87Å
133N96Very high95Very high73 Ų7359.1 Ų59.139%0.3933%0.329SS..  trans-78.7107.7175.6-172-25.9000110.4E131 N135 E136 I137E131-N133 VanDerWaalsContact OE1-CB 3.26Å; E131-N133 WeakPolarHBondContact OE1-CB 3.25Å; E131-N133 PolarHBondContact OE1-N 2.98Å; N133-N135 PolarHBondContact O-N 3.49Å; N133-N135 VanDerWaalsContact O-N 3.13Å; N133-N135 WeakPolarHBondContact OD1-CB 3.47Å; N133-N135 PolarHBondContact OD1-N 3.24Å; N133-E136 HydrophobicContact CB-CB 4.31Å; N133-E136 HydrophobicContact CB-CG 4.22Å; N133-E136 PolarHBondContact O-N 2.71Å; N133-E136 VanDerWaalsContact O-N 3.13Å; N133-I137 WeakPolarHBondContact O-CG1 3.32Å; N133-I137 PolarHBondContact O-N 2.85Å; N133-I137 VanDerWaalsContact O-N 3.09Å
134M95.3Very high94.6Very high41 Ų4161.4 Ų61.420%0.20234%0.339CS..Hα-helixtrans-51.2-37.8178.5-65.7-175.5-93.700113.8V92 E95 K99 T132 I137 I138V92-M134 HydrophobicContact CG1-CG 3.96Å; E95-M134 HydrophobicContact CB-SD 3.65Å; E95-M134 WeakPolarHBondContact OE2-CE 3.14Å; K99-M134 HydrophobicContact CD-SD 4.4Å; K99-M134 PolarHBondContact NZ-SD 3.05Å; T132-M134 PolarHBondContact O-N 2.87Å; M134-I137 PolarHBondContact O-N 3.17Å; M134-I138 WeakPolarHBondContact O-CB 3.45Å; M134-I138 WeakPolarHBondContact O-CD1 3.45Å; M134-I138 WeakPolarHBondContact O-CG1 3.46Å; M134-I138 PolarHBondContact O-N 3.4Å
135N94.8Very high94.2Very high105 Ų10562.8 Ų62.856%0.56135%0.346SS*.Hα-helixtrans-69.5-38.5-176.4-62.4-31.5000111.6N133 T139N133-N135 PolarHBondContact O-N 3.49Å; N133-N135 VanDerWaalsContact O-N 3.13Å; N133-N135 WeakPolarHBondContact OD1-CB 3.47Å; N133-N135 PolarHBondContact OD1-N 3.24Å; N135-T139 WeakPolarHBondContact O-CB 3.01Å; N135-T139 PolarHBondContact O-N 2.78Å; N135-T139 VanDerWaalsContact O-N 3.08Å; N135-T139 PolarHBondContact O-OG1 2.85Å
136E96.1Very high93.9Very high93 Ų9365 Ų6544%0.43535%0.353SS..Hα-helixtrans-67.7-46.2175.2-68.6-63.1156.800110.2E131 N133 I138 T139 Q140E131-E136 HydrophobicContact CG-CB 4.15Å; N133-E136 HydrophobicContact CB-CB 4.31Å; N133-E136 HydrophobicContact CB-CG 4.22Å; N133-E136 PolarHBondContact O-N 2.71Å; N133-E136 VanDerWaalsContact O-N 3.13Å; E136-I138 PolarHBondContact O-N 2.69Å; E136-T139 WeakPolarHBondContact O-CB 3.5Å; E136-T139 PolarHBondContact O-N 3.41Å; E136-T139 VanDerWaalsContact O-N 3.15Å; E136-Q140 WeakPolarHBondContact O-CG 3.34Å; E136-Q140 PolarHBondContact O-N 2.87Å
137I95.4Very high93.6Very high1 Ų167.7 Ų67.71%0.00535%0.353CS..Hα-helixtrans-55.6-51.7177.5-63.4157.6000110.8T96 E122 M123 E131 N133 M134 T139 Q140 V141T96-I137 HydrophobicContact CG2-CB 4.39Å; T96-I137 HydrophobicContact CG2-CG2 3.72Å; E122-I137 HydrophobicContact CB-CG2 3.94Å; M123-I137 HydrophobicContact CE-CD1 4.46Å; M123-I137 HydrophobicContact CG-CD1 3.62Å; M123-I137 HydrophobicContact CG-CG1 4.19Å; M123-I137 HydrophobicContact CG-CG2 4.27Å; M123-I137 HydrophobicContact SD-CD1 4.23Å; E131-I137 HydrophobicContact CB-CG1 4.04Å; E131-I137 HydrophobicContact CG-CD1 4.19Å; E131-I137 HydrophobicContact CG-CG1 3.63Å; N133-I137 WeakPolarHBondContact O-CG1 3.32Å; N133-I137 PolarHBondContact O-N 2.85Å; N133-I137 VanDerWaalsContact O-N 3.09Å; M134-I137 PolarHBondContact O-N 3.17Å; I137-T139 VanDerWaalsContact C-N 3.3Å; I137-T139 PolarHBondContact O-N 2.83Å; I137-Q140 PolarHBondContact O-N 2.88Å; I137-V141 HydrophobicContact CG2-CG2 4.31Å; I137-V141 VanDerWaalsContact O-CG2 3.27Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 3.08Å
138I94.4Very high93.3Very high34 Ų3471.9 Ų71.917%0.17437%0.372CS..Hα-helixtrans-60.2-42.7179.6-67.3164000110.8T96 K99 M134 E136 Q140 V141 D142T96-I138 HydrophobicContact CG2-CG1 4.22Å; K99-I138 HydrophobicContact CB-CD1 3.8Å; K99-I138 HydrophobicContact CD-CD1 3.68Å; K99-I138 HydrophobicContact CG-CD1 4.4Å; M134-I138 WeakPolarHBondContact O-CB 3.45Å; M134-I138 WeakPolarHBondContact O-CD1 3.45Å; M134-I138 WeakPolarHBondContact O-CG1 3.46Å; M134-I138 PolarHBondContact O-N 3.4Å; E136-I138 PolarHBondContact O-N 2.69Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 2.96Å; I138-V141 PolarHBondContact O-N 2.91Å; I138-D142 WeakPolarHBondContact O-CB 3.5Å; I138-D142 PolarHBondContact O-N 3.04Å
139T95.6Very high92.8Very high81 Ų8174.1 Ų74.150%0.49738%0.379SS..Hα-helixtrans-60.4-43.2178.9-600000111.8N135 E136 I137 A143N135-T139 WeakPolarHBondContact O-CB 3.01Å; N135-T139 PolarHBondContact O-N 2.78Å; N135-T139 VanDerWaalsContact O-N 3.08Å; N135-T139 PolarHBondContact O-OG1 2.85Å; E136-T139 WeakPolarHBondContact O-CB 3.5Å; E136-T139 PolarHBondContact O-N 3.41Å; E136-T139 VanDerWaalsContact O-N 3.15Å; I137-T139 VanDerWaalsContact C-N 3.3Å; I137-T139 PolarHBondContact O-N 2.83Å; T139-A143 WeakPolarHBondContact O-CB 3.45Å; T139-A143 PolarHBondContact O-N 3.44Å
140Q94.1Very high92.2Very high87 Ų8774.5 Ų74.541%0.40738%0.384SS..Hα-helixtrans-70.2-41.4178.6-62.4-50.3-38.300112.2E122 E136 I137 I138 D142 A143 Q144E122-Q140 HydrophobicContact CG-CB 4.27Å; E122-Q140 VanDerWaalsContact OE2-CB 3.31Å; E122-Q140 WeakPolarHBondContact OE2-CB 3.44Å; E136-Q140 WeakPolarHBondContact O-CG 3.34Å; E136-Q140 PolarHBondContact O-N 2.87Å; I137-Q140 PolarHBondContact O-N 2.88Å; I138-Q140 VanDerWaalsContact C-N 3.34Å; I138-Q140 PolarHBondContact O-N 2.96Å; Q140-D142 VanDerWaalsContact C-N 3.31Å; Q140-D142 PolarHBondContact O-N 2.65Å; Q140-A143 WeakPolarHBondContact O-CB 3.42Å; Q140-A143 PolarHBondContact O-N 2.74Å; Q140-Q144 WeakPolarHBondContact O-CG 3.45Å; Q140-Q144 PolarHBondContact O-N 3.15Å
141V92.5Very high91.4Very high1 Ų176.4 Ų76.41%0.00639%0.39CS..Hα-helixtrans-60.2-42.3175.6171.50000110.9I119 E122 I137 I138 Q144 N145I119-V141 HydrophobicContact CB-CG2 4.47Å; I119-V141 HydrophobicContact CG1-CG1 4.01Å; I119-V141 HydrophobicContact CG1-CG2 3.88Å; E122-V141 HydrophobicContact CG-CG2 3.84Å; I137-V141 HydrophobicContact CG2-CG2 4.31Å; I137-V141 VanDerWaalsContact O-CG2 3.27Å; I137-V141 WeakPolarHBondContact O-CG2 3.47Å; I137-V141 PolarHBondContact O-N 3.08Å; I138-V141 PolarHBondContact O-N 2.91Å; V141-Q144 PolarHBondContact O-N 3.06Å; V141-N145 WeakPolarHBondContact O-CB 3.18Å; V141-N145 PolarHBondContact O-N 2.95Å; V141-N145 PolarHBondContact O-ND2 2.67Å; V141-N145 VanDerWaalsContact O-ND2 3.11Å
142D92.1Very high90Very high92 Ų9276.2 Ų76.249%0.49240%0.401SS..Hα-helixtrans-67.9-36.6176.8-77.8-19.8000112.8I138 Q140 N145 K146I138-D142 WeakPolarHBondContact O-CB 3.5Å; I138-D142 PolarHBondContact O-N 3.04Å; Q140-D142 VanDerWaalsContact C-N 3.31Å; Q140-D142 PolarHBondContact O-N 2.65Å; D142-N145 PolarHBondContact O-N 3.43Å; D142-K146 WeakPolarHBondContact O-CB 3.29Å; D142-K146 PolarHBondContact O-N 3.45Å
143A92.4Very high88.2Confident40 Ų4074.9 Ų74.933%0.33140%0.403SS..Hα-helixtrans-62-43.7172.700000111.4T139 Q140 K146 M147T139-A143 WeakPolarHBondContact O-CB 3.45Å; T139-A143 PolarHBondContact O-N 3.44Å; Q140-A143 WeakPolarHBondContact O-CB 3.42Å; Q140-A143 PolarHBondContact O-N 2.74Å; A143-K146 PolarHBondContact O-N 2.98Å; A143-M147 WeakPolarHBondContact O-CG 3.28Å; A143-M147 PolarHBondContact O-N 3.27Å
144Q89.4Confident86.1Confident50 Ų5076.9 Ų76.923%0.23441%0.413CS..Hα-helixtrans-61.5-49.6174.7-73.3178.5700111.8E122 Q140 V141 K146 M147 E148E122-Q144 PolarHBondContact OE1-NE2 3.44Å; Q140-Q144 WeakPolarHBondContact O-CG 3.45Å; Q140-Q144 PolarHBondContact O-N 3.15Å; V141-Q144 PolarHBondContact O-N 3.06Å; Q144-K146 PolarHBondContact O-N 3.25Å; Q144-K146 VanDerWaalsContact O-N 3.14Å; Q144-M147 HydrophobicContact CG-CE 4.17Å; Q144-M147 PolarHBondContact O-N 3.13Å; Q144-E148 PolarHBondContact O-N 3.28Å
145N87.8Confident84Confident31 Ų3179.1 Ų79.117%0.16644%0.438CS..Hα-helixtrans-56-35.2176.8-72.1-35.9000112.4V141 D142 K149V141-N145 WeakPolarHBondContact O-CB 3.18Å; V141-N145 PolarHBondContact O-N 2.95Å; V141-N145 PolarHBondContact O-ND2 2.67Å; V141-N145 VanDerWaalsContact O-ND2 3.11Å; D142-N145 PolarHBondContact O-N 3.43Å; N145-K149 WeakPolarHBondContact O-CD 3.22Å; N145-K149 VanDerWaalsContact O-CG 3.25Å; N145-K149 WeakPolarHBondContact O-CG 3.47Å; N145-K149 PolarHBondContact O-N 2.97Å
146K89.8Confident81.7Confident159 Ų15977.3 Ų77.369%0.69144%0.444SS*.Hα-helixtrans-72.4-39.8177.2-173.1178.4178.2-177.50112D142 A143 Q144 S150D142-K146 WeakPolarHBondContact O-CB 3.29Å; D142-K146 PolarHBondContact O-N 3.45Å; A143-K146 PolarHBondContact O-N 2.98Å; Q144-K146 PolarHBondContact O-N 3.25Å; Q144-K146 VanDerWaalsContact O-N 3.14Å; K146-S150 PolarHBondContact O-N 2.94Å; K146-S150 VanDerWaalsContact O-N 3.13Å
147M88.5Confident79.4Confident107 Ų10774.6 Ų74.653%0.52744%0.438SS..Hα-helixtrans-65.3-47.2176.9-71.9-174-65.900111.2A143 Q144 K149 S150 E151A143-M147 WeakPolarHBondContact O-CG 3.28Å; A143-M147 PolarHBondContact O-N 3.27Å; Q144-M147 HydrophobicContact CG-CE 4.17Å; Q144-M147 PolarHBondContact O-N 3.13Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 2.97Å; M147-S150 WeakPolarHBondContact O-CA 3.34Å; M147-S150 WeakPolarHBondContact O-CB 3.28Å; M147-S150 PolarHBondContact O-N 3.32Å; M147-S150 PolarHBondContact O-OG 3.07Å; M147-E151 PolarHBondContact O-N 2.8Å
148E85.4Confident77.1Confident90 Ų9079.5 Ų79.542%0.42147%0.469SS..Hα-helixtrans-56.6-44.2177.3-71.4-179.3170.800112.2H118 Q144 S150 E151 A152H118-E148 IonicContact CE1-OE1 2.8Å; H118-E148 IonicContact NE2-OE1 2.81Å; Q144-E148 PolarHBondContact O-N 3.28Å; E148-S150 VanDerWaalsContact C-N 3.29Å; E148-S150 PolarHBondContact O-N 2.84Å; E148-E151 PolarHBondContact O-N 3.31Å; E148-A152 WeakPolarHBondContact O-CB 3.33Å; E148-A152 PolarHBondContact O-N 3.19Å
149K84.6Confident75Confident160 Ų16081.8 Ų81.870%0.69649%0.493SS*.Hα-helixtrans-62.6-35.9175.5-72.9172-174.3175.60112.4N145 M147 G153N145-K149 WeakPolarHBondContact O-CD 3.22Å; N145-K149 VanDerWaalsContact O-CG 3.25Å; N145-K149 WeakPolarHBondContact O-CG 3.47Å; N145-K149 PolarHBondContact O-N 2.97Å; M147-K149 VanDerWaalsContact C-N 3.31Å; M147-K149 PolarHBondContact O-N 2.97Å; K149-G153 PolarHBondContact O-N 3.25Å; K149-G153 VanDerWaalsContact O-N 3.13Å
150S83.7Confident72.8Confident71 Ų7188.8 Ų88.850%0.49751%0.511SS..Hα-helixtrans-69.3-35.6178.877.20000112.3K146 M147 E148 I154K146-S150 PolarHBondContact O-N 2.94Å; K146-S150 VanDerWaalsContact O-N 3.13Å; M147-S150 WeakPolarHBondContact O-CA 3.34Å; M147-S150 WeakPolarHBondContact O-CB 3.28Å; M147-S150 PolarHBondContact O-N 3.32Å; M147-S150 PolarHBondContact O-OG 3.07Å; E148-S150 VanDerWaalsContact C-N 3.29Å; E148-S150 PolarHBondContact O-N 2.84Å; S150-I154 WeakPolarHBondContact O-CG1 3.23Å
151E79.4Confident70.6Confident137 Ų13787.1 Ų87.164%0.6451%0.511SS*.Hα-helixtrans-75-39.7176.4-65.7-171.815800112M147 E148 G153 I154 A155M147-E151 PolarHBondContact O-N 2.8Å; E148-E151 PolarHBondContact O-N 3.31Å; E151-G153 VanDerWaalsContact C-N 3.25Å; E151-G153 PolarHBondContact O-N 2.85Å; E151-I154 WeakPolarHBondContact O-CB 3.36Å; E151-I154 PolarHBondContact O-N 3.29Å; E151-A155 PolarHBondContact O-N 3.15Å
152A67.6Low68.5Low65 Ų6590.5 Ų90.554%0.53753%0.532SS..Hα-helixtrans-60.9-34.5174.100000112.4E148 I154 A155 G156E148-A152 WeakPolarHBondContact O-CB 3.33Å; E148-A152 PolarHBondContact O-N 3.19Å; A152-I154 VanDerWaalsContact C-N 3.25Å; A152-I154 PolarHBondContact O-N 2.89Å; A152-A155 PolarHBondContact O-N 2.97Å; A152-G156 PolarHBondContact O-N 2.88Å
153G56.7Low66.3Low54 Ų5489.9 Ų89.956%0.55754%0.535SS*.Hα-helixtrans-65.4-23.9173.700000114.3K149 E151K149-G153 PolarHBondContact O-N 3.25Å; K149-G153 VanDerWaalsContact O-N 3.13Å; E151-G153 VanDerWaalsContact C-N 3.25Å; E151-G153 PolarHBondContact O-N 2.85Å
154I52.5Low64.1Low115 Ų11590.7 Ų90.759%0.5954%0.542SS*.Hα-helixtrans-83.5-33.1177-61.7166.3000110.7S150 E151 A152S150-I154 WeakPolarHBondContact O-CG1 3.23Å; E151-I154 WeakPolarHBondContact O-CB 3.36Å; E151-I154 PolarHBondContact O-N 3.29Å; A152-I154 VanDerWaalsContact C-N 3.25Å; A152-I154 PolarHBondContact O-N 2.89Å
155A51.5Low62.2Low89 Ų8993.3 Ų93.374%0.73656%0.561SS**Hα-helixtrans-76.9-24.217800000114.1E151 A152E151-A155 PolarHBondContact O-N 3.15Å; A152-A155 PolarHBondContact O-N 2.97Å
156G47.2Very low60.2Low66 Ų66100.9 Ų100.968%0.6859%0.592SS**THydrogen-bonded Turntrans-84-7.3179.200000115.5A152A152-G156 PolarHBondContact O-N 2.88Å
157A47.5Very low58.2Low37 Ų37100.2 Ų100.231%0.30660%0.596SS.*SBendtrans-77.9129.3175.400000109.7A159 A161 V162A157-A159 PolarHBondContact O-N 3.33Å; A157-A161 HydrophobicContact CB-CB 4.26Å; A157-V162 HydrophobicContact CB-CG2 4.47Å
158P46.4Very low56Low103 Ų103100.9 Ų100.967%0.66960%0.6SS**  trans-54.7136.4174.522.1-31.2000109.1R160 A161P158-R160 PolarHBondContact O-N 2.89Å; P158-A161 PolarHBondContact O-N 3.43Å
159A51Low54.3Low82 Ų82104.4 Ų104.468%0.67862%0.621SS**Hα-helixtrans-49.1-16.5-172.500000115.8A157 S163A157-A159 PolarHBondContact O-N 3.33Å; A159-S163 PolarHBondContact O-OG 3.26Å
160R48.1Very low52.7Low229 Ų229103.6 Ų103.686%0.86462%0.624SS**Hα-helixtrans-68.1-27.7171.4-74.8-175.7172.3-178.6-2.3114.6P158P158-R160 PolarHBondContact O-N 2.89Å
161A49.1Very low50.7Low51 Ų51105.4 Ų105.442%0.42163%0.634SS.*Hα-helixtrans-80.3-36.9-179.900000112.5A157 P158 S163 A164 V165A157-A161 HydrophobicContact CB-CB 4.26Å; P158-A161 PolarHBondContact O-N 3.43Å; A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 3.02Å; A161-A164 PolarHBondContact O-N 3.21Å; A161-V165 WeakPolarHBondContact O-CG2 3.48Å
162V47.7Very low49.1Very low72 Ų72108 Ų10844%0.43665%0.646SS.*Hα-helixtrans-69.7-28.9-179.1-166.40000111.8A157 A164A157-V162 HydrophobicContact CB-CG2 4.47Å; V162-A164 VanDerWaalsContact C-N 3.33Å; V162-A164 PolarHBondContact O-N 2.81Å
163S46Very low47.8Very low80 Ų80113.4 Ų113.456%0.55966%0.662SS**Hα-helixtrans-74-22177.5-570000113.4A159 A161A159-S163 PolarHBondContact O-OG 3.26Å; A161-S163 VanDerWaalsContact C-N 3.29Å; A161-S163 PolarHBondContact O-N 3.02Å
164A46.4Very low46.8Very low57 Ų57116.7 Ų116.747%0.47167%0.674SS.*Hα-helixtrans-83.7-25.8-176.800000113.5A161 V162A161-A164 PolarHBondContact O-N 3.21Å; V162-A164 VanDerWaalsContact C-N 3.33Å; V162-A164 PolarHBondContact O-N 2.81Å
165V48.3Very low46.3Very low105 Ų105120.8 Ų120.864%0.63669%0.687SS**Hα-helixtrans-83.4-24.2177.3-106.40000112.9A161 N167A161-V165 WeakPolarHBondContact O-CG2 3.48Å; V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.27Å
166K46.8Very low45.6Very low189 Ų189124 Ų12482%0.82269%0.692SS**THydrogen-bonded Turntrans-78.4-13.9-178.9-138175.9-174.2178.30114.2
167N47Very low45.5Very low146 Ų146128.3 Ų128.378%0.78170%0.698SS**THydrogen-bonded Turntrans-113.67.8-176.4-79.6-12.8000114.6V165 N169V165-N167 VanDerWaalsContact C-N 3.32Å; V165-N167 PolarHBondContact O-N 3.27Å; N167-N169 PolarHBondContact O-N 3.32Å
168M44.1Very low45.2Very low121 Ų121133.9 Ų133.960%0.59672%0.723SS**  trans-90.296.7169.2-75.4-168.1-81.800109.4L170M168-L170 HydrophobicContact CB-CD1 4.01Å; M168-L170 PolarHBondContact O-N 2.98Å
169N48.8Very low44.8Very low163 Ų163136.3 Ų136.387%0.87273%0.728SS**  trans-57.894.9151.4-103-3000106.8N167 P171N167-N169 PolarHBondContact O-N 3.32Å; N169-P171 VanDerWaalsContact O-CD 3.31Å; N169-P171 WeakPolarHBondContact O-CD 3.14Å
170L50.3Low44.1Very low143 Ų143134.9 Ų134.975%0.74972%0.722SS**  trans-69.2120.9167.4-97.586.7000107.7M168M168-L170 HydrophobicContact CB-CD1 4.01Å; M168-L170 PolarHBondContact O-N 2.98Å
171P43Very low44.1Very low109 Ų109131.8 Ų131.871%0.70872%0.722SS**  trans-66.8134.7160-3.420.3000107.8N169 M173N169-P171 VanDerWaalsContact O-CD 3.31Å; N169-P171 WeakPolarHBondContact O-CD 3.14Å; P171-M173 PolarHBondContact O-N 2.84Å
172E45.5Very low43.8Very low193 Ų193136.3 Ų136.390%0.90274%0.738SS**  trans-54.9111.8170-68.8-174.2150.800109.4P174E172-P174 WeakPolarHBondContact O-CD 3.47Å
173M39.5Very low43.5Very low178 Ų178139 Ų13988%0.87776%0.76SS**PPolyproline II helixtrans-77.2122.4169-75.7-172.483.100108.7P171P171-M173 PolarHBondContact O-N 2.84Å
174P36Very low43.4Very low123 Ų123142.4 Ų142.480%0.79977%0.771SS**PPolyproline II helixtrans-66.5142.4-178.924.2-31.6000112.1E172E172-P174 WeakPolarHBondContact O-CD 3.47Å
175K41.4Very low43.1Very low201 Ų201149.1 Ų149.187%0.87479%0.789SS**SBendtrans-62.3131.3176.2-66.4174.8177.3175.80110.6
176N37.9Very low43.1Very low157 Ų157150.8 Ų150.884%0.8480%0.799SS**  trans67.1113.6168.6-75.7-15.8000118.7
177I44.6Very low42.8Very low155 Ų155147.5 Ų147.580%0.79580%0.797SS**  trans-129.1113.5144.6-57176.7000107I179I177-I179 HydrophobicContact CG2-CD1 4.06Å; I177-I179 HydrophobicContact CG2-CG1 4.11Å
178N41.2Very low42.5Very low155 Ų155147.7 Ų147.783%0.82980%0.798SS**  trans-98.6111.6171.7-166.6-13.6000107
179I38.7Very low42.4Very low153 Ų153148.2 Ų148.279%0.78580%0.803SS**  trans-138.8123168.3-71.9176.6000106.3I177I177-I179 HydrophobicContact CG2-CD1 4.06Å; I177-I179 HydrophobicContact CG2-CG1 4.11Å
180G36Very low42.1Very low53 Ų53145.5 Ų145.555%0.54679%0.794SS.*  trans-71.3176.5-166.200000116.9
181D46.8Very low41.8Very low163 Ų163143.7 Ų143.787%0.87279%0.793SS**  trans32.383.7163.9-66.1-31.6000117.1
182I43Very low41.9Very low146 Ų146147.7 Ų147.775%0.74980%0.8SS**  trans-153.4113.7146.8-84.6124.6000108.7I184I182-I184 HydrophobicContact CG2-CD1 3.8Å; I182-I184 HydrophobicContact CG2-CG1 3.55Å
183S42.5Very low41.7Very low129 Ų129151.7 Ų151.790%0.90281%0.814SS**  trans-80.3126.4168.5-62.50000110.1
184I43.1Very low41.8Very low152 Ų152150.4 Ų150.478%0.77981%0.811SS**  trans-123.1116.2172.5-56.5-179.3000110I182I182-I184 HydrophobicContact CG2-CD1 3.8Å; I182-I184 HydrophobicContact CG2-CG1 3.55Å
185K39.9Very low42.1Very low197 Ų197151.8 Ų151.886%0.85781%0.812SS**PPolyproline II helixtrans-63.7138.3177.9-83.5175.1169.6176.40111.9
186V48.4Very low42.1Very low140 Ų140149.1 Ų149.185%0.84881%0.808SS**PPolyproline II helixtrans-73.5127.9169.4-156.90000109.8
187P41.4Very low42.4Very low121 Ų121148.6 Ų148.679%0.78681%0.806SS**PPolyproline II helixtrans-82.6137.8169.6-1027.4000111.9
188N41.2Very low42.3Very low149 Ų149148.2 Ų148.280%0.79781%0.807SS**PPolyproline II helixtrans-85.3128.2177.8-115.7-10.8000112
189L41.4Very low42.3Very low133 Ų133147.7 Ų147.770%0.69681%0.806SS**  trans56150.1141.5-89.2125.6000121
190P42Very low42.6Very low106 Ų106147.4 Ų147.469%0.68881%0.807SS**  -137.7152.482.431.2-12.4000116.1
191S44.6Very low43.1Very low105 Ų105154.6 Ų154.673%0.73483%0.827SS**  trans-68.9133.2169.6177.40000110.3
192F44.4Very low42.8Very low192 Ų192153.9 Ų153.984%0.84282%0.824SS**  trans-98129.1170.6-84.2-85.5000109.9
193K41.6Very low42.8Very low277 Ų277154.6 Ų154.6100%1.20483%0.83SS**  trans-58.40174.5-78.6179.7173.4178.60112.8

Retrieved 193 of 193 residues in 760.6 ms (Link to these results)

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