A0A077ZHR0_TRITR Loading...

Aminotran 3 and AA kinase domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZHR0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 427 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
1M68.2Low86.8Confident186 Ų18631.7 Ų31.792%0.91617%0.174SC*.  0141.40-142.6163.3-17500106.5L30 G31M1-L30 WeakPolarHBondContact CE-O 3.28Å; M1-G31 WeakPolarHBondContact CG-O 3.28Å
2G90.5Very high85.6Confident2 Ų231.2 Ų31.22%0.02118%0.177CC..  trans-114.8149.1-149.100000116.7H32 E33 D172G2-H32 VanDerWaalsContact O-CA 3.3Å; G2-H32 WeakPolarHBondContact O-CA 3.46Å; G2-H32 PolarHBondContact O-ND1 3.36Å; G2-H32 VanDerWaalsContact O-ND1 3.15Å; G2-E33 PolarHBondContact O-N 3.26Å; G2-E33 VanDerWaalsContact O-N 3.15Å; G2-D172 WeakPolarHBondContact CA-OD2 3.32Å
3K95.7Very high84.7Confident38 Ų3828.8 Ų28.817%0.16516%0.164CC..EExtended strand (participates in β ladder)trans-86.4138169.1-61.1171.1-168.3166.30109.9E33 I35 E131 L134 L169 A171 D172K3-E33 CarbonylContact C-O 3.48Å; K3-E33 WeakPolarHBondContact CA-O 3.06Å; K3-E33 HydrophobicContact CG-CB 4.15Å; K3-E33 WeakPolarHBondContact CG-OE2 3.31Å; K3-I35 HydrophobicContact CB-CD1 4.04Å; K3-E131 IonicContact NZ-OE1 3.54Å; K3-E131 PolarHBondContact NZ-OE1 3.48Å; K3-L134 HydrophobicContact CD-CD1 4.49Å; K3-L169 HydrophobicContact CD-CB 3.81Å; K3-L169 HydrophobicContact CD-CD2 4.5Å; K3-L169 WeakPolarHBondContact CD-O 3.48Å; K3-L169 PolarHBondContact NZ-O 3.32Å; K3-A171 HydrophobicContact CB-CB 4.3Å; K3-A171 CarbonylContact O-C 3.5Å; K3-A171 WeakPolarHBondContact O-CA 3.36Å; K3-D172 PolarHBondContact O-N 3.18Å
4I96.7Very high84.2Confident5 Ų531.9 Ų31.93%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-119.8123.8174.9-60.3178.4000108.1V6 W27 H32 E33 I34 I35 A173 Y175I4-V6 HydrophobicContact CG2-CG2 4Å; I4-W27 HydrophobicContact CD1-CB 4.21Å; I4-W27 HydrophobicContact CD1-CD2 3.83Å; I4-W27 HydrophobicContact CD1-CE3 4.25Å; I4-W27 HydrophobicContact CD1-CG 3.83Å; I4-W27 HydrophobicContact CG2-CE3 4.45Å; I4-W27 HydrophobicContact CG2-CZ3 4.32Å; I4-H32 HydrophobicContact CD1-CB 3.77Å; I4-H32 HydrophobicContact CG1-CB 4.14Å; I4-E33 PolarHBondContact N-O 3.04Å; I4-I34 HydrophobicContact CB-CD1 3.84Å; I4-I34 HydrophobicContact CD1-CD1 4.08Å; I4-I34 HydrophobicContact CG1-CD1 4.31Å; I4-I35 PolarHBondContact O-N 3.01Å; I4-A173 WeakPolarHBondContact CA-O 3.36Å; I4-A173 HydrophobicContact CG1-CB 4.48Å; I4-A173 HydrophobicContact CG2-CB 4.49Å; I4-Y175 HydrophobicContact CG2-CD2 3.49Å; I4-Y175 VanDerWaalsContact CG2-CD2 3.49Å; I4-Y175 HydrophobicContact CG2-CE2 3.61Å
5V96.7Very high84.1Confident0 Ų037.3 Ų37.30%021%0.208CC..EExtended strand (participates in β ladder)trans-100127.6172.8-178.30000108.9I35 V37 A162 I165 A166 A171 A173 L174 Y175V5-I35 CarbonylContact C-O 3.57Å; V5-I35 WeakPolarHBondContact CA-O 3.21Å; V5-I35 HydrophobicContact CG2-CB 4.2Å; V5-I35 HydrophobicContact CG2-CD1 4.41Å; V5-V37 HydrophobicContact CG1-CG2 4.21Å; V5-A162 HydrophobicContact CG1-CB 4.19Å; V5-I165 HydrophobicContact CG2-CG2 4.27Å; V5-A166 HydrophobicContact CB-CB 4.06Å; V5-A166 HydrophobicContact CG2-CB 3.8Å; V5-A171 HydrophobicContact CG2-CB 3.88Å; V5-A173 PolarHBondContact N-O 2.93Å; V5-L174 HydrophobicContact CB-CD1 3.94Å; V5-L174 HydrophobicContact CG1-CD1 3.82Å; V5-L174 CarbonylContact O-C 3.58Å; V5-L174 WeakPolarHBondContact O-CA 3.41Å; V5-Y175 PolarHBondContact O-N 3.01Å
6V96Very high84.3Confident4 Ų436.8 Ų36.82%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-119.4120.8177.1-171.90000109.1I4 I8 F20 W27 I34 I35 I36 V37 Y175I4-V6 HydrophobicContact CG2-CG2 4Å; V6-I8 HydrophobicContact CG1-CG1 4.37Å; V6-F20 HydrophobicContact CG1-CE2 4.32Å; V6-W27 HydrophobicContact CG2-CZ3 3.95Å; V6-I34 HydrophobicContact CG2-CG2 4.48Å; V6-I35 PolarHBondContact N-O 3.21Å; V6-I36 HydrophobicContact CB-CD1 3.71Å; V6-I36 HydrophobicContact CG1-CD1 4.41Å; V6-I36 HydrophobicContact CG2-CD1 4.16Å; V6-I36 CarbonylContact O-C 3.46Å; V6-I36 WeakPolarHBondContact O-CA 3.49Å; V6-V37 PolarHBondContact O-N 2.95Å; V6-Y175 CarbonylContact C-O 3.56Å; V6-Y175 WeakPolarHBondContact CA-O 3.48Å
7K94.4Very high84.5Confident15 Ų1539.5 Ų39.57%0.06522%0.223CC..EExtended strand (participates in β ladder)trans-90.9123.3171.2-170.9-88.2175.8148.80109.9V37 D159 A162 Y175 L176 L177K7-V37 CarbonylContact C-O 3.53Å; K7-V37 WeakPolarHBondContact CA-O 3.36Å; K7-D159 WeakPolarHBondContact CD-OD1 3.47Å; K7-D159 WeakPolarHBondContact CE-OD1 3.47Å; K7-D159 IonicContact NZ-OD1 2.85Å; K7-D159 PolarHBondContact NZ-OD1 3.27Å; K7-D159 IonicContact NZ-OD2 2.96Å; K7-A162 HydrophobicContact CB-CB 3.71Å; K7-A162 HydrophobicContact CG-CB 4.01Å; K7-Y175 PolarHBondContact N-O 3.03Å; K7-L176 HydrophobicContact CB-CD2 3.62Å; K7-L176 HydrophobicContact CG-CD2 4.32Å; K7-L177 WeakPolarHBondContact O-CB 3.32Å; K7-L177 PolarHBondContact O-N 3.22Å
8I92.1Very high84.8Confident0 Ų043.1 Ų43.10%024%0.241CC..EExtended strand (participates in β ladder)trans-104.8130.9174.1-56177.5000109.2V6 A12 L16 F20 I36 V37 H38 G39 F88 L177V6-I8 HydrophobicContact CG1-CG1 4.37Å; I8-A12 HydrophobicContact CG2-CB 3.98Å; I8-L16 HydrophobicContact CD1-CD1 4.3Å; I8-L16 HydrophobicContact CD1-CD2 4.3Å; I8-L16 HydrophobicContact CG2-CD2 4.19Å; I8-F20 HydrophobicContact CD1-CE1 4.32Å; I8-F20 HydrophobicContact CD1-CE2 4.32Å; I8-F20 HydrophobicContact CD1-CZ 3.67Å; I8-F20 HydrophobicContact CG1-CZ 4.37Å; I8-I36 HydrophobicContact CD1-CD1 4.43Å; I8-I36 HydrophobicContact CD1-CG2 3.52Å; I8-I36 HydrophobicContact CG1-CG2 3.93Å; I8-V37 PolarHBondContact N-O 2.89Å; I8-H38 CarbonylContact O-C 3.51Å; I8-H38 WeakPolarHBondContact O-CA 3.31Å; I8-G39 PolarHBondContact O-N 2.95Å; I8-F88 HydrophobicContact CD1-CE2 4.46Å; I8-L177 HydrophobicContact CG1-CD2 4.46Å; I8-L177 HydrophobicContact CG2-CD2 4.19Å
9G81.1Confident85.1Confident15 Ų1546.6 Ų46.616%0.15526%0.259CS..  trans-70154172.100000112.3V11 A12 S13G9-V11 VanDerWaalsContact C-N 3.28Å; G9-V11 PolarHBondContact O-N 3.31Å; G9-A12 WeakPolarHBondContact O-CB 3.37Å; G9-A12 PolarHBondContact O-N 3.07Å; G9-S13 PolarHBondContact O-N 3.46Å; G9-S13 VanDerWaalsContact O-N 3.15Å
10G69.6Low85.6Confident9 Ų945.8 Ų45.89%0.09325%0.253CS..THydrogen-bonded Turntrans-62.3-29.9-179.500000114.6S13 Y43G10-S13 PolarHBondContact O-OG 3.49Å; G10-Y43 WeakPolarHBondContact O-CE2 3.49Å
11V74.1Confident86Confident75 Ų7544 Ų4446%0.45524%0.243SC..THydrogen-bonded Turntrans-84-26.1173.4-179.90000111.3G9 S13 D14 N15 Y42G9-V11 VanDerWaalsContact C-N 3.28Å; G9-V11 PolarHBondContact O-N 3.31Å; V11-S13 VanDerWaalsContact C-N 3.27Å; V11-S13 PolarHBondContact O-N 3.36Å; V11-D14 PolarHBondContact O-N 3.05Å; V11-N15 PolarHBondContact O-ND2 3.28Å; V11-Y42 VanDerWaalsContact CG2-CB 3.48Å; V11-Y42 HydrophobicContact CG2-CD1 4.23Å; V11-Y42 HydrophobicContact CG2-CD2 4.16Å; V11-Y42 HydrophobicContact CG2-CG 3.69Å
12A72Confident87.4Confident25 Ų2540.6 Ų40.621%0.20722%0.224CC..G310 helixtrans-70.8-26.1179.500000111.7I8 G9 D14 N15 L16 L177I8-A12 HydrophobicContact CG2-CB 3.98Å; G9-A12 WeakPolarHBondContact O-CB 3.37Å; G9-A12 PolarHBondContact O-N 3.07Å; A12-D14 PolarHBondContact O-N 3.27Å; A12-N15 CarbonylContact O-C 3.51Å; A12-N15 PolarHBondContact O-N 2.89Å; A12-N15 VanDerWaalsContact O-N 3.08Å; A12-L16 WeakPolarHBondContact O-CG 3.5Å; A12-L16 PolarHBondContact O-N 2.65Å; A12-L177 HydrophobicContact CB-CD2 3.85Å
13S73.9Confident87.6Confident1 Ų144.1 Ų44.11%0.00724%0.24CC..G310 helixtrans-61.1-27.8175.353.40000113.4G9 G10 V11 N15 L87G9-S13 PolarHBondContact O-N 3.46Å; G9-S13 VanDerWaalsContact O-N 3.15Å; G10-S13 PolarHBondContact O-OG 3.49Å; V11-S13 VanDerWaalsContact C-N 3.27Å; V11-S13 PolarHBondContact O-N 3.36Å; S13-N15 VanDerWaalsContact C-N 3.31Å; S13-L87 WeakPolarHBondContact O-CD1 3.44Å
14D78.1Confident87.6Confident72 Ų7242.3 Ų42.339%0.38523%0.233SC..G310 helixtrans-82.6-14.6178.6-49.8-46.9000112.8V11 A12 Y43V11-D14 PolarHBondContact O-N 3.05Å; A12-D14 PolarHBondContact O-N 3.27Å; D14-Y43 PolarHBondContact OD1-OH 3.3Å; D14-Y43 PolarHBondContact OD2-OH 3.14Å
15N82.4Confident87.6Confident112 Ų11248 Ų4860%0.59926%0.259SS*.G310 helixtrans-119.420.3-172.8-62.5-68.7000112V11 A12 S13 T17V11-N15 PolarHBondContact O-ND2 3.28Å; A12-N15 CarbonylContact O-C 3.51Å; A12-N15 PolarHBondContact O-N 2.89Å; A12-N15 VanDerWaalsContact O-N 3.08Å; S13-N15 VanDerWaalsContact C-N 3.31Å; N15-T17 PolarHBondContact O-N 2.92Å
16L87Confident87.6Confident29 Ų2950.6 Ų50.615%0.15228%0.277CS..  trans-63.9121.7173.4-63.3179.2000109.1I8 A12 F20 F21 L87 F88 L177I8-L16 HydrophobicContact CD1-CD1 4.3Å; I8-L16 HydrophobicContact CD1-CD2 4.3Å; I8-L16 HydrophobicContact CG2-CD2 4.19Å; A12-L16 WeakPolarHBondContact O-CG 3.5Å; A12-L16 PolarHBondContact O-N 2.65Å; L16-F20 HydrophobicContact CB-CD1 4.44Å; L16-F20 HydrophobicContact CD1-CD1 4.4Å; L16-F20 HydrophobicContact CD1-CE1 4.24Å; L16-F20 HydrophobicContact CD2-CD1 4.02Å; L16-F20 HydrophobicContact CD2-CD2 4.19Å; L16-F20 HydrophobicContact CD2-CE1 4.17Å; L16-F20 HydrophobicContact CD2-CE2 4.33Å; L16-F20 HydrophobicContact CD2-CG 4.04Å; L16-F20 HydrophobicContact CD2-CZ 4.33Å; L16-F21 HydrophobicContact CB-CE2 3.9Å; L16-F21 HydrophobicContact CB-CZ 4.03Å; L16-F21 HydrophobicContact CD1-CZ 4.05Å; L16-L87 HydrophobicContact CD1-CD1 4.46Å; L16-F88 HydrophobicContact CD1-CE2 4.43Å; L16-L177 HydrophobicContact CD2-CD2 4.21Å
17T87.5Confident87.6Confident84 Ų8452.1 Ų52.152%0.51528%0.283SS..  trans-93.9163.9-178.862.80000110.9N15 N19 F20 F21N15-T17 PolarHBondContact O-N 2.92Å; T17-N19 PolarHBondContact O-N 2.97Å; T17-F20 VanDerWaalsContact O-CB 3.31Å; T17-F20 WeakPolarHBondContact O-CB 3.47Å; T17-F20 PolarHBondContact O-N 3.34Å; T17-F21 VanDerWaalsContact O-CD2 3.31Å; T17-F21 WeakPolarHBondContact O-CD2 3.35Å
18N89.8Confident87.6Confident103 Ų10354.4 Ų54.455%0.55129%0.294SS*.Hα-helixtrans-55.7-35.9174.1-68.3-5.9000112.4F20 F21 E22N18-F20 PolarHBondContact O-N 3.46Å; N18-F21 PolarHBondContact O-N 2.73Å; N18-E22 WeakPolarHBondContact O-CG 3.31Å; N18-E22 PolarHBondContact O-N 3.34Å
19N91.5Very high87.6Confident111 Ų11158.6 Ų58.659%0.59433%0.328SS*.Hα-helixtrans-60.8-33177.4-172.527000112.7T17 Q23T17-N19 PolarHBondContact O-N 2.97Å; N19-Q23 WeakPolarHBondContact O-CB 3.35Å; N19-Q23 PolarHBondContact O-N 2.96Å
20F93.6Very high88.3Confident29 Ų2963 Ų6313%0.12735%0.347CS..Hα-helixtrans-62-47.2173.3172.3-91.9000110.8V6 I8 L16 T17 N18 Q23 I24 F88V6-F20 HydrophobicContact CG1-CE2 4.32Å; I8-F20 HydrophobicContact CD1-CE1 4.32Å; I8-F20 HydrophobicContact CD1-CE2 4.32Å; I8-F20 HydrophobicContact CD1-CZ 3.67Å; I8-F20 HydrophobicContact CG1-CZ 4.37Å; L16-F20 HydrophobicContact CB-CD1 4.44Å; L16-F20 HydrophobicContact CD1-CD1 4.4Å; L16-F20 HydrophobicContact CD1-CE1 4.24Å; L16-F20 HydrophobicContact CD2-CD1 4.02Å; L16-F20 HydrophobicContact CD2-CD2 4.19Å; L16-F20 HydrophobicContact CD2-CE1 4.17Å; L16-F20 HydrophobicContact CD2-CE2 4.33Å; L16-F20 HydrophobicContact CD2-CG 4.04Å; L16-F20 HydrophobicContact CD2-CZ 4.33Å; T17-F20 VanDerWaalsContact O-CB 3.31Å; T17-F20 WeakPolarHBondContact O-CB 3.47Å; T17-F20 PolarHBondContact O-N 3.34Å; N18-F20 PolarHBondContact O-N 3.46Å; F20-Q23 WeakPolarHBondContact O-CB 3.26Å; F20-Q23 PolarHBondContact O-N 2.92Å; F20-I24 HydrophobicContact CD1-CG1 4.35Å; F20-I24 HydrophobicContact CE1-CD1 4.46Å; F20-I24 HydrophobicContact CE1-CG1 3.89Å; F20-I24 HydrophobicContact CE2-CD1 4.41Å; F20-I24 HydrophobicContact CZ-CD1 4.08Å; F20-I24 HydrophobicContact CZ-CG1 4.02Å; F20-I24 WeakPolarHBondContact O-CG1 3.47Å; F20-I24 PolarHBondContact O-N 3.31Å; F20-I24 VanDerWaalsContact O-N 3.07Å; F20-F88 HydrophobicContact CE1-CE1 4.5Å; F20-F88 HydrophobicContact CE1-CE2 4.06Å; F20-F88 AromaticContact CE1-CZ 3.66Å; F20-F88 HydrophobicContact CE1-CZ 3.66Å; F20-F88 HydrophobicContact CZ-CZ 4.11Å
21F95.6Very high89.5Confident10 Ų1064 Ų644%0.04436%0.358CS..Hα-helixtrans-69.4-38.9-179.6-65-71.3000112.6L16 T17 N18 Q23 I24 E25 L87 F88 Q91 F93L16-F21 HydrophobicContact CB-CE2 3.9Å; L16-F21 HydrophobicContact CB-CZ 4.03Å; L16-F21 HydrophobicContact CD1-CZ 4.05Å; T17-F21 VanDerWaalsContact O-CD2 3.31Å; T17-F21 WeakPolarHBondContact O-CD2 3.35Å; N18-F21 PolarHBondContact O-N 2.73Å; F21-Q23 PolarHBondContact O-N 2.93Å; F21-I24 PolarHBondContact O-N 2.99Å; F21-E25 WeakPolarHBondContact O-CB 3.3Å; F21-E25 PolarHBondContact O-N 3Å; F21-L87 HydrophobicContact CZ-CB 4.26Å; F21-F88 HydrophobicContact CE1-CD1 4.3Å; F21-F88 AromaticContact CE1-CD2 3.87Å; F21-F88 HydrophobicContact CE1-CD2 3.87Å; F21-F88 HydrophobicContact CE1-CE1 4.45Å; F21-F88 HydrophobicContact CE1-CE2 4.04Å; F21-F88 HydrophobicContact CE1-CG 4.02Å; F21-F88 HydrophobicContact CE1-CZ 4.35Å; F21-Q91 HydrophobicContact CB-CB 4.41Å; F21-Q91 HydrophobicContact CB-CG 4.28Å; F21-Q91 HydrophobicContact CD1-CB 3.94Å; F21-Q91 HydrophobicContact CD1-CG 3.77Å; F21-Q91 HydrophobicContact CD2-CG 3.69Å; F21-Q91 HydrophobicContact CE1-CB 4.36Å; F21-Q91 HydrophobicContact CE1-CG 3.94Å; F21-Q91 HydrophobicContact CE2-CG 3.87Å; F21-Q91 HydrophobicContact CG-CB 4.07Å; F21-Q91 HydrophobicContact CG-CG 3.64Å; F21-Q91 HydrophobicContact CZ-CG 3.99Å; F21-F93 HydrophobicContact CB-CE2 4.04Å; F21-F93 HydrophobicContact CD1-CD2 4.17Å; F21-F93 AromaticContact CD1-CE2 3.78Å; F21-F93 HydrophobicContact CD1-CE2 3.78Å; F21-F93 HydrophobicContact CG-CE2 4.35Å
22E95.9Very high90.5Very high113 Ų11363 Ų6353%0.52835%0.348SS..Hα-helixtrans-58.2-38171.5-71.5170.8-167.800111.4N18 S26N18-E22 WeakPolarHBondContact O-CG 3.31Å; N18-E22 PolarHBondContact O-N 3.34Å; E22-S26 VanDerWaalsContact O-CB 3.27Å; E22-S26 WeakPolarHBondContact O-CB 3.21Å; E22-S26 PolarHBondContact O-N 2.83Å
23Q95.8Very high91.7Very high77 Ų7764.7 Ų64.736%0.3635%0.352SS..Hα-helixtrans-68.4-41.4175.5-17559.680.400112.5N19 F20 F21 S26 W27N19-Q23 WeakPolarHBondContact O-CB 3.35Å; N19-Q23 PolarHBondContact O-N 2.96Å; F20-Q23 WeakPolarHBondContact O-CB 3.26Å; F20-Q23 PolarHBondContact O-N 2.92Å; F21-Q23 PolarHBondContact O-N 2.93Å; Q23-S26 PolarHBondContact O-N 2.99Å; Q23-W27 HydrophobicContact CG-CD2 4.13Å; Q23-W27 HydrophobicContact CG-CE3 4.29Å; Q23-W27 HydrophobicContact CG-CH2 3.82Å; Q23-W27 HydrophobicContact CG-CZ2 3.63Å; Q23-W27 HydrophobicContact CG-CZ3 4.15Å; Q23-W27 VanDerWaalsContact NE2-CE2 3.32Å; Q23-W27 PolarHBondContact O-N 3.23Å
24I96.1Very high92.8Very high0 Ų064.7 Ų64.70%035%0.352CS..Hα-helixtrans-62.3-46174.3-62-46.9000110.5F20 F21 S26 W27 Q28 I34 F88 F93 I139F20-I24 HydrophobicContact CD1-CG1 4.35Å; F20-I24 HydrophobicContact CE1-CD1 4.46Å; F20-I24 HydrophobicContact CE1-CG1 3.89Å; F20-I24 HydrophobicContact CE2-CD1 4.41Å; F20-I24 HydrophobicContact CZ-CD1 4.08Å; F20-I24 HydrophobicContact CZ-CG1 4.02Å; F20-I24 WeakPolarHBondContact O-CG1 3.47Å; F20-I24 PolarHBondContact O-N 3.31Å; F20-I24 VanDerWaalsContact O-N 3.07Å; F21-I24 PolarHBondContact O-N 2.99Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.14Å; I24-W27 HydrophobicContact CD1-CE3 3.63Å; I24-W27 HydrophobicContact CD1-CZ3 3.56Å; I24-W27 PolarHBondContact O-N 3.08Å; I24-Q28 PolarHBondContact O-N 2.8Å; I24-I34 HydrophobicContact CD1-CG2 4.14Å; I24-I34 HydrophobicContact CG2-CG1 4.29Å; I24-I34 HydrophobicContact CG2-CG2 4.42Å; I24-F88 HydrophobicContact CG2-CE1 4.46Å; I24-F93 HydrophobicContact CB-CE1 4.34Å; I24-F93 HydrophobicContact CB-CZ 4.15Å; I24-F93 HydrophobicContact CG2-CD1 4.25Å; I24-F93 HydrophobicContact CG2-CE1 3.71Å; I24-F93 HydrophobicContact CG2-CZ 3.98Å; I24-I139 HydrophobicContact CG2-CD1 3.72Å
25E96.1Very high93.8Very high124 Ų12461.2 Ų61.258%0.57933%0.334SS*.Hα-helixtrans-59.9-45.1177.2-174.6176.5-156.900111F21 W27 Q28 A29 F93F21-E25 WeakPolarHBondContact O-CB 3.3Å; F21-E25 PolarHBondContact O-N 3Å; E25-W27 PolarHBondContact O-N 3.43Å; E25-Q28 PolarHBondContact O-N 3.21Å; E25-A29 VanDerWaalsContact O-CB 3.3Å; E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.43Å; E25-F93 HydrophobicContact CB-CE1 4.34Å; E25-F93 HydrophobicContact CB-CZ 4.02Å
26S96.5Very high94.5Very high55 Ų5555.9 Ų55.939%0.38531%0.305SS..Hα-helixtrans-58.4-45175.6179.50000112.1E22 Q23 I24 A29 L30E22-S26 VanDerWaalsContact O-CB 3.27Å; E22-S26 WeakPolarHBondContact O-CB 3.21Å; E22-S26 PolarHBondContact O-N 2.83Å; Q23-S26 PolarHBondContact O-N 2.99Å; I24-S26 VanDerWaalsContact C-N 3.34Å; I24-S26 PolarHBondContact O-N 3.14Å; S26-A29 PolarHBondContact O-N 2.91Å; S26-L30 WeakPolarHBondContact O-CB 3.27Å; S26-L30 VanDerWaalsContact O-CG 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.45Å; S26-L30 PolarHBondContact O-N 3.24Å
27W96.2Very high95Very high36 Ų3654.5 Ų54.514%0.13630%0.298CS..Hα-helixtrans-65-42.7176-69.4-31.3000112.6I4 V6 Q23 I24 E25 L30 G31 H32 I34 Y175I4-W27 HydrophobicContact CD1-CB 4.21Å; I4-W27 HydrophobicContact CD1-CD2 3.83Å; I4-W27 HydrophobicContact CD1-CE3 4.25Å; I4-W27 HydrophobicContact CD1-CG 3.83Å; I4-W27 HydrophobicContact CG2-CE3 4.45Å; I4-W27 HydrophobicContact CG2-CZ3 4.32Å; V6-W27 HydrophobicContact CG2-CZ3 3.95Å; Q23-W27 HydrophobicContact CG-CD2 4.13Å; Q23-W27 HydrophobicContact CG-CE3 4.29Å; Q23-W27 HydrophobicContact CG-CH2 3.82Å; Q23-W27 HydrophobicContact CG-CZ2 3.63Å; Q23-W27 HydrophobicContact CG-CZ3 4.15Å; Q23-W27 VanDerWaalsContact NE2-CE2 3.32Å; Q23-W27 PolarHBondContact O-N 3.23Å; I24-W27 HydrophobicContact CD1-CE3 3.63Å; I24-W27 HydrophobicContact CD1-CZ3 3.56Å; I24-W27 PolarHBondContact O-N 3.08Å; E25-W27 PolarHBondContact O-N 3.43Å; W27-L30 CarbonylContact O-C 3.49Å; W27-L30 WeakPolarHBondContact O-CA 3.31Å; W27-L30 PolarHBondContact O-N 3.38Å; W27-G31 PolarHBondContact O-N 3.25Å; W27-H32 HydrophobicContact CB-CB 4.14Å; W27-H32 WeakPolarHBondContact O-CB 3.42Å; W27-H32 PolarHBondContact O-N 3.17Å; W27-I34 HydrophobicContact CB-CD1 3.76Å; W27-I34 HydrophobicContact CD2-CD1 4.49Å; W27-I34 HydrophobicContact CE3-CD1 4Å; W27-I34 HydrophobicContact CG-CD1 4.47Å; W27-Y175 HydrophobicContact CH2-CD1 4.33Å; W27-Y175 AromaticContact CH2-CD2 4Å; W27-Y175 HydrophobicContact CH2-CD2 4Å; W27-Y175 HydrophobicContact CH2-CE1 4.27Å; W27-Y175 AromaticContact CH2-CE2 3.91Å; W27-Y175 HydrophobicContact CH2-CE2 3.91Å; W27-Y175 HydrophobicContact CH2-CG 4.2Å; W27-Y175 HydrophobicContact CZ2-CD2 4.42Å; W27-Y175 HydrophobicContact CZ2-CE1 4.11Å; W27-Y175 AromaticContact CZ2-CE2 3.86Å; W27-Y175 HydrophobicContact CZ2-CE2 3.86Å; W27-Y175 AromaticContact CZ2-CZ 3.7Å
28Q93.9Very high95.4Very high63 Ų6350.6 Ų50.629%0.29427%0.273SS..Hα-helixtrans-65.5-36.6175.5-73.4-167.2-45.200112.5I24 E25 L30 G31 I34 F93I24-Q28 PolarHBondContact O-N 2.8Å; E25-Q28 PolarHBondContact O-N 3.21Å; Q28-L30 VanDerWaalsContact C-N 3.29Å; Q28-L30 PolarHBondContact O-N 3.47Å; Q28-G31 VanDerWaalsContact O-CA 3.22Å; Q28-G31 WeakPolarHBondContact O-CA 3.31Å; Q28-G31 PolarHBondContact O-N 3.44Å; Q28-I34 HydrophobicContact CG-CG1 3.88Å; Q28-F93 VanDerWaalsContact OE1-CD1 3.31Å; Q28-F93 VanDerWaalsContact OE1-CE1 3.3Å
29A93.8Very high95.6Very high87 Ų8746 Ų4672%0.71925%0.25SS*.Hα-helixtrans-66.4-32.6174.200000112.1E25 S26 G31E25-A29 VanDerWaalsContact O-CB 3.3Å; E25-A29 WeakPolarHBondContact O-CB 3.5Å; E25-A29 PolarHBondContact O-N 3.43Å; S26-A29 PolarHBondContact O-N 2.91Å; A29-G31 PolarHBondContact O-N 2.87Å
30L95.1Very high95.7Very high107 Ų10740.8 Ų40.856%0.5622%0.223SC*.THydrogen-bonded Turntrans-78.67.9167.9-68.1172.9000113M1 S26 W27 Q28 H32M1-L30 WeakPolarHBondContact CE-O 3.28Å; S26-L30 WeakPolarHBondContact O-CB 3.27Å; S26-L30 VanDerWaalsContact O-CG 3.31Å; S26-L30 WeakPolarHBondContact O-CG 3.45Å; S26-L30 PolarHBondContact O-N 3.24Å; W27-L30 CarbonylContact O-C 3.49Å; W27-L30 WeakPolarHBondContact O-CA 3.31Å; W27-L30 PolarHBondContact O-N 3.38Å; Q28-L30 VanDerWaalsContact C-N 3.29Å; Q28-L30 PolarHBondContact O-N 3.47Å; L30-H32 PolarHBondContact O-N 3.07Å
31G93.8Very high95.6Very high32 Ų3241 Ų4133%0.3323%0.234SC..THydrogen-bonded Turntrans65.227.4176.800000115.7M1 W27 Q28 A29M1-G31 WeakPolarHBondContact CG-O 3.28Å; W27-G31 PolarHBondContact O-N 3.25Å; Q28-G31 VanDerWaalsContact O-CA 3.22Å; Q28-G31 WeakPolarHBondContact O-CA 3.31Å; Q28-G31 PolarHBondContact O-N 3.44Å; A29-G31 PolarHBondContact O-N 2.87Å
32H95.8Very high95.4Very high53 Ų5347.1 Ų47.125%0.24526%0.258CS..  trans-76.7139166.3-68.3-75.5000111.4G2 I4 W27 L30 I34G2-H32 VanDerWaalsContact O-CA 3.3Å; G2-H32 WeakPolarHBondContact O-CA 3.46Å; G2-H32 PolarHBondContact O-ND1 3.36Å; G2-H32 VanDerWaalsContact O-ND1 3.15Å; I4-H32 HydrophobicContact CD1-CB 3.77Å; I4-H32 HydrophobicContact CG1-CB 4.14Å; W27-H32 HydrophobicContact CB-CB 4.14Å; W27-H32 WeakPolarHBondContact O-CB 3.42Å; W27-H32 PolarHBondContact O-N 3.17Å; L30-H32 PolarHBondContact O-N 3.07Å; H32-I34 HydrophobicContact CB-CD1 4.01Å
33E97.5Very high95.4Very high60 Ų6043.4 Ų43.428%0.2824%0.239SC..EExtended strand (participates in β ladder)trans-86.3125.9170.5-72.4180133.700109.2G2 K3 I4 L134G2-E33 PolarHBondContact O-N 3.26Å; G2-E33 VanDerWaalsContact O-N 3.15Å; K3-E33 CarbonylContact C-O 3.48Å; K3-E33 WeakPolarHBondContact CA-O 3.06Å; K3-E33 HydrophobicContact CG-CB 4.15Å; K3-E33 WeakPolarHBondContact CG-OE2 3.31Å; I4-E33 PolarHBondContact N-O 3.04Å; E33-L134 HydrophobicContact CB-CD1 4.33Å; E33-L134 HydrophobicContact CB-CD2 4.02Å
34I97.8Very high95.4Very high1 Ų140.1 Ų40.11%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-107.8130.2-172.3-50.8-55.6000110.2I4 V6 I24 W27 Q28 H32 I36 I139 P140I4-I34 HydrophobicContact CB-CD1 3.84Å; I4-I34 HydrophobicContact CD1-CD1 4.08Å; I4-I34 HydrophobicContact CG1-CD1 4.31Å; V6-I34 HydrophobicContact CG2-CG2 4.48Å; I24-I34 HydrophobicContact CD1-CG2 4.14Å; I24-I34 HydrophobicContact CG2-CG1 4.29Å; I24-I34 HydrophobicContact CG2-CG2 4.42Å; W27-I34 HydrophobicContact CB-CD1 3.76Å; W27-I34 HydrophobicContact CD2-CD1 4.49Å; W27-I34 HydrophobicContact CE3-CD1 4Å; W27-I34 HydrophobicContact CG-CD1 4.47Å; Q28-I34 HydrophobicContact CG-CG1 3.88Å; H32-I34 HydrophobicContact CB-CD1 4.01Å; I34-I36 HydrophobicContact CG2-CD1 3.9Å; I34-I139 HydrophobicContact CB-CD1 4.45Å; I34-I139 HydrophobicContact CB-CG1 4.38Å; I34-I139 HydrophobicContact CB-CG2 4.5Å; I34-I139 HydrophobicContact CG2-CG2 4.33Å; I34-P140 WeakPolarHBondContact O-CD 3.5Å
35I98.4Very high95.4Very high0 Ų041.8 Ų41.80%023%0.234CC..EExtended strand (participates in β ladder)trans-119.5132.3174.8-58.385.6000108.1K3 I4 V5 V6 I130 L134 P140 I142 I165 L169K3-I35 HydrophobicContact CB-CD1 4.04Å; I4-I35 PolarHBondContact O-N 3.01Å; V5-I35 CarbonylContact C-O 3.57Å; V5-I35 WeakPolarHBondContact CA-O 3.21Å; V5-I35 HydrophobicContact CG2-CB 4.2Å; V5-I35 HydrophobicContact CG2-CD1 4.41Å; V6-I35 PolarHBondContact N-O 3.21Å; I35-I130 HydrophobicContact CG1-CG2 4.03Å; I35-L134 HydrophobicContact CD1-CD1 3.91Å; I35-L134 HydrophobicContact CD1-CD2 4.22Å; I35-L134 HydrophobicContact CG1-CD1 4.09Å; I35-L134 HydrophobicContact CG1-CD2 4.16Å; I35-P140 HydrophobicContact CB-CG 4.21Å; I35-P140 HydrophobicContact CG1-CG 3.91Å; I35-P140 HydrophobicContact CG2-CG 4.06Å; I35-I142 HydrophobicContact CG2-CD1 3.65Å; I35-I165 HydrophobicContact CG2-CG2 4.18Å; I35-L169 HydrophobicContact CD1-CD1 4.23Å; I35-L169 HydrophobicContact CG1-CD1 4.11Å
36I97.8Very high95.4Very high0 Ų038.2 Ų38.20%022%0.217CC..EExtended strand (participates in β ladder)trans-111.1128.3176.5-54.5-59.2000109.7V6 I8 I34 F88 I139 P140 I141 I142V6-I36 HydrophobicContact CB-CD1 3.71Å; V6-I36 HydrophobicContact CG1-CD1 4.41Å; V6-I36 HydrophobicContact CG2-CD1 4.16Å; V6-I36 CarbonylContact O-C 3.46Å; V6-I36 WeakPolarHBondContact O-CA 3.49Å; I8-I36 HydrophobicContact CD1-CD1 4.43Å; I8-I36 HydrophobicContact CD1-CG2 3.52Å; I8-I36 HydrophobicContact CG1-CG2 3.93Å; I34-I36 HydrophobicContact CG2-CD1 3.9Å; I36-F88 HydrophobicContact CD1-CZ 4.04Å; I36-F88 HydrophobicContact CG1-CE1 4.35Å; I36-F88 HydrophobicContact CG1-CZ 3.83Å; I36-I139 HydrophobicContact CD1-CG2 4.5Å; I36-I139 HydrophobicContact CG1-CG2 3.6Å; I36-P140 PolarHBondContact N-O 2.84Å; I36-I141 HydrophobicContact CB-CD1 3.58Å; I36-I141 HydrophobicContact CG1-CD1 3.65Å; I36-I141 HydrophobicContact CG2-CD1 4.14Å; I36-I141 CarbonylContact O-C 3.56Å; I36-I141 WeakPolarHBondContact O-CA 3.43Å; I36-I142 PolarHBondContact O-N 3.13Å
37V97.3Very high95.4Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-109.6127.3166-178.90000107.9V5 V6 K7 I8 I142 T161 A162 I165V5-V37 HydrophobicContact CG1-CG2 4.21Å; V6-V37 PolarHBondContact O-N 2.95Å; K7-V37 CarbonylContact C-O 3.53Å; K7-V37 WeakPolarHBondContact CA-O 3.36Å; I8-V37 PolarHBondContact N-O 2.89Å; V37-I142 HydrophobicContact CG2-CB 4.26Å; V37-T161 HydrophobicContact CG1-CG2 3.84Å; V37-A162 HydrophobicContact CB-CB 3.98Å; V37-A162 HydrophobicContact CG1-CB 4.27Å; V37-A162 HydrophobicContact CG2-CB 4.06Å; V37-I165 HydrophobicContact CG2-CD1 3.87Å
38H95.8Very high95.5Very high1 Ų136.5 Ų36.51%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-106.9151.8-178.772.188.7000112.4I8 L76 V80 I84 I142 A143 P144I8-H38 CarbonylContact O-C 3.51Å; I8-H38 WeakPolarHBondContact O-CA 3.31Å; H38-L76 PolarHBondContact CE1-O 2.75Å; H38-V80 WeakPolarHBondContact ND1-CG1 3.4Å; H38-I84 HydrophobicContact CB-CD1 3.31Å; H38-I142 PolarHBondContact CD2-O 2.94Å; H38-I142 PolarHBondContact N-O 3.38Å; H38-I142 VanDerWaalsContact N-O 3.09Å; H38-A143 WeakPolarHBondContact NE2-CA 3.46Å; H38-P144 WeakPolarHBondContact O-CD 3.41Å; H38-P144 WeakPolarHBondContact O-CG 3.29Å
39G93.2Very high95.7Very high6 Ų639.3 Ų39.36%0.06222%0.219CC..  trans-92.3-177.916500000111.5I8 V80I8-G39 PolarHBondContact O-N 2.95Å; G39-V80 WeakPolarHBondContact O-CG1 3.37Å
40G93.2Very high95.9Very high3 Ų343.5 Ų43.53%0.03122%0.216CC..  trans-163.516172.100000113.7Y42 Y43 I44G40-Y42 VanDerWaalsContact C-N 3.27Å; G40-Y42 PolarHBondContact O-N 3.09Å; G40-Y42 VanDerWaalsContact O-N 3.16Å; G40-Y43 PolarHBondContact O-N 3.12Å; G40-Y43 VanDerWaalsContact O-N 3.13Å; G40-I44 VanDerWaalsContact O-CG1 3.26Å; G40-I44 WeakPolarHBondContact O-CG1 3.4Å; G40-I44 PolarHBondContact O-N 2.86Å
41G92.4Very high96Very high34 Ų3442.6 Ų42.635%0.35121%0.211SC..Hα-helixtrans-55.9-37.4-169.500000114.4T45 R62G41-T45 PolarHBondContact O-N 2.94Å; G41-T45 PolarHBondContact O-OG1 3.31Å; G41-T45 VanDerWaalsContact O-OG1 3.14Å; G41-R62 PolarHBondContact O-NH2 3.4Å
42Y92.1Very high96.2Very high138 Ų13848.2 Ų48.254%0.54123%0.233SC..Hα-helixtrans-61.6-54.9175.7175.9-97.4000111.7V11 G40 I44 T45 E46V11-Y42 VanDerWaalsContact CG2-CB 3.48Å; V11-Y42 HydrophobicContact CG2-CD1 4.23Å; V11-Y42 HydrophobicContact CG2-CD2 4.16Å; V11-Y42 HydrophobicContact CG2-CG 3.69Å; G40-Y42 VanDerWaalsContact C-N 3.27Å; G40-Y42 PolarHBondContact O-N 3.09Å; G40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-I44 VanDerWaalsContact C-N 3.29Å; Y42-I44 PolarHBondContact O-N 2.53Å; Y42-T45 WeakPolarHBondContact O-CB 3.42Å; Y42-T45 PolarHBondContact O-N 3.06Å; Y42-T45 VanDerWaalsContact O-N 3.15Å; Y42-E46 PolarHBondContact O-N 3.31Å
43Y94.9Very high96.2Very high35 Ų3547 Ų4714%0.13723%0.229CC..Hα-helixtrans-64.3-31.8178.9-68.8-62.7000113.5G10 D14 G40 M47 V75 V80G10-Y43 WeakPolarHBondContact O-CE2 3.49Å; D14-Y43 PolarHBondContact OD1-OH 3.3Å; D14-Y43 PolarHBondContact OD2-OH 3.14Å; G40-Y43 PolarHBondContact O-N 3.12Å; G40-Y43 VanDerWaalsContact O-N 3.13Å; Y43-M47 WeakPolarHBondContact O-CB 3.41Å; Y43-M47 PolarHBondContact O-N 3.42Å; Y43-V75 VanDerWaalsContact CB-CG1 3.42Å; Y43-V80 HydrophobicContact CD2-CG2 3.71Å; Y43-V80 HydrophobicContact CG-CG2 4.24Å
44I96.2Very high96.1Very high7 Ų748.8 Ų48.84%0.03625%0.245CC..Hα-helixtrans-64.7-48.3173.8-65.9163.7000109.5G40 Y42 M47 M48 T72 V75 L76G40-I44 VanDerWaalsContact O-CG1 3.26Å; G40-I44 WeakPolarHBondContact O-CG1 3.4Å; G40-I44 PolarHBondContact O-N 2.86Å; Y42-I44 VanDerWaalsContact C-N 3.29Å; Y42-I44 PolarHBondContact O-N 2.53Å; I44-M47 PolarHBondContact O-N 3.26Å; I44-M48 HydrophobicContact CG2-CG 4.36Å; I44-M48 HydrophobicContact CG2-SD 3.82Å; I44-M48 WeakPolarHBondContact O-CB 3.27Å; I44-M48 WeakPolarHBondContact O-CG 3.4Å; I44-M48 PolarHBondContact O-N 3.44Å; I44-T72 HydrophobicContact CD1-CG2 3.86Å; I44-V75 HydrophobicContact CG1-CB 3.98Å; I44-V75 HydrophobicContact CG1-CG1 3.78Å; I44-L76 HydrophobicContact CD1-CD1 4.34Å; I44-L76 HydrophobicContact CD1-CD2 4.14Å; I44-L76 HydrophobicContact CD1-CG 4.09Å
45T95.4Very high96Very high35 Ų3551.1 Ų51.122%0.21526%0.259CS..Hα-helixtrans-57.7-50.7175.3-65.10000110.9G41 Y42 M47 M48 E49 V55 R62G41-T45 PolarHBondContact O-N 2.94Å; G41-T45 PolarHBondContact O-OG1 3.31Å; G41-T45 VanDerWaalsContact O-OG1 3.14Å; Y42-T45 WeakPolarHBondContact O-CB 3.42Å; Y42-T45 PolarHBondContact O-N 3.06Å; Y42-T45 VanDerWaalsContact O-N 3.15Å; T45-M47 VanDerWaalsContact C-N 3.35Å; T45-M47 PolarHBondContact O-N 3.36Å; T45-M48 PolarHBondContact O-N 3.01Å; T45-E49 HydrophobicContact CG2-CG 4.42Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.42Å; T45-E49 WeakPolarHBondContact O-CG 3.38Å; T45-E49 PolarHBondContact O-N 3.06Å; T45-V55 HydrophobicContact CG2-CG1 4.45Å; T45-V55 HydrophobicContact CG2-CG2 4.25Å; T45-R62 PolarHBondContact OG1-NH1 3.01Å; T45-R62 PolarHBondContact OG1-NH2 3.38Å
46E96.1Very high95.8Very high49 Ų4955.6 Ų55.623%0.22928%0.282CS..Hα-helixtrans-57.5-46.1-179.3-172-168.8176.800112Y42 E49 R50Y42-E46 PolarHBondContact O-N 3.31Å; E46-E49 PolarHBondContact O-N 2.81Å; E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.32Å; E46-R50 PolarHBondContact O-N 2.9Å; E46-R50 IonicContact OE1-CZ 3.27Å; E46-R50 VanDerWaalsContact OE1-CZ 3.27Å; E46-R50 IonicContact OE1-NE 3.3Å; E46-R50 PolarHBondContact OE1-NE 2.88Å; E46-R50 IonicContact OE1-NH2 2.65Å; E46-R50 PolarHBondContact OE1-NH2 3.36Å
47M97.7Very high95.5Very high56 Ų5661.2 Ų61.228%0.27631%0.31SS..Hα-helixtrans-68-39.4179.2-173.760.670.400112.1Y43 I44 T45 R50 L51 V71 V75Y43-M47 WeakPolarHBondContact O-CB 3.41Å; Y43-M47 PolarHBondContact O-N 3.42Å; I44-M47 PolarHBondContact O-N 3.26Å; T45-M47 VanDerWaalsContact C-N 3.35Å; T45-M47 PolarHBondContact O-N 3.36Å; M47-R50 PolarHBondContact O-N 2.82Å; M47-L51 HydrophobicContact CG-CD1 4.05Å; M47-L51 WeakPolarHBondContact O-CB 3.35Å; M47-L51 WeakPolarHBondContact O-CG 3.24Å; M47-L51 PolarHBondContact O-N 3.15Å; M47-L51 VanDerWaalsContact O-N 3.08Å; M47-L51 HydrophobicContact SD-CD1 4.2Å; M47-L51 HydrophobicContact SD-CG 4.35Å; M47-V71 HydrophobicContact CB-CG1 3.78Å; M47-V71 HydrophobicContact CG-CG1 3.6Å; M47-V75 HydrophobicContact CB-CG2 3.65Å; M47-V75 HydrophobicContact CG-CG2 3.93Å
48M97.8Very high95Very high0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-61.3-44.8175.4-74.4177.272.600111.3I44 T45 L51 N52 I53 P54 V55 A68 V71I44-M48 HydrophobicContact CG2-CG 4.36Å; I44-M48 HydrophobicContact CG2-SD 3.82Å; I44-M48 WeakPolarHBondContact O-CB 3.27Å; I44-M48 WeakPolarHBondContact O-CG 3.4Å; I44-M48 PolarHBondContact O-N 3.44Å; T45-M48 PolarHBondContact O-N 3.01Å; M48-L51 CarbonylContact O-C 3.49Å; M48-L51 PolarHBondContact O-N 3.18Å; M48-N52 PolarHBondContact O-N 3.22Å; M48-N52 VanDerWaalsContact O-N 3.11Å; M48-I53 HydrophobicContact CB-CB 4.2Å; M48-I53 HydrophobicContact CE-CB 4.37Å; M48-I53 HydrophobicContact CE-CG2 3.61Å; M48-I53 HydrophobicContact CG-CB 4.44Å; M48-I53 HydrophobicContact CG-CG2 4.48Å; M48-I53 PolarHBondContact O-N 3.5Å; M48-P54 VanDerWaalsContact CE-O 3.22Å; M48-P54 WeakPolarHBondContact CE-O 3.48Å; M48-V55 HydrophobicContact CB-CG2 3.71Å; M48-V55 HydrophobicContact CE-CG2 3.91Å; M48-V55 HydrophobicContact CG-CG2 4.47Å; M48-V55 HydrophobicContact SD-CG2 3.99Å; M48-A68 HydrophobicContact CE-CB 3.7Å; M48-A68 HydrophobicContact SD-CB 4.28Å; M48-V71 HydrophobicContact CG-CB 4.29Å; M48-V71 HydrophobicContact CG-CG1 3.81Å
49E97.5Very high94.3Very high122 Ų12272 Ų7257%0.5736%0.363SS*.Hα-helixtrans-61.8-45.5176.7-72.4173.4175.900111.7T45 E46 L51 N52 V55T45-E49 HydrophobicContact CG2-CG 4.42Å; T45-E49 WeakPolarHBondContact CG2-OE1 3.42Å; T45-E49 WeakPolarHBondContact O-CG 3.38Å; T45-E49 PolarHBondContact O-N 3.06Å; E46-E49 PolarHBondContact O-N 2.81Å; E49-L51 PolarHBondContact O-N 3.47Å; E49-N52 PolarHBondContact O-N 3.25Å; E49-V55 HydrophobicContact CG-CG2 4.5Å
50R97.6Very high93.7Very high174 Ų17475 Ų7566%0.65739%0.393SS*.Hα-helixtrans-58.9-31.5175.5-73.8175.1-178.8-145.84112.9E46 M47E46-R50 VanDerWaalsContact O-CG 3.31Å; E46-R50 WeakPolarHBondContact O-CG 3.32Å; E46-R50 PolarHBondContact O-N 2.9Å; E46-R50 IonicContact OE1-CZ 3.27Å; E46-R50 VanDerWaalsContact OE1-CZ 3.27Å; E46-R50 IonicContact OE1-NE 3.3Å; E46-R50 PolarHBondContact OE1-NE 2.88Å; E46-R50 IonicContact OE1-NH2 2.65Å; E46-R50 PolarHBondContact OE1-NH2 3.36Å; M47-R50 PolarHBondContact O-N 2.82Å
51L97.6Very high93.5Very high88 Ų8876.7 Ų76.746%0.46140%0.402SS..THydrogen-bonded Turntrans-92.75.3178.7-64.8174.8000113.5M47 M48 E49 I53 V71M47-L51 HydrophobicContact CG-CD1 4.05Å; M47-L51 WeakPolarHBondContact O-CB 3.35Å; M47-L51 WeakPolarHBondContact O-CG 3.24Å; M47-L51 PolarHBondContact O-N 3.15Å; M47-L51 VanDerWaalsContact O-N 3.08Å; M47-L51 HydrophobicContact SD-CD1 4.2Å; M47-L51 HydrophobicContact SD-CG 4.35Å; M48-L51 CarbonylContact O-C 3.49Å; M48-L51 PolarHBondContact O-N 3.18Å; E49-L51 PolarHBondContact O-N 3.47Å; L51-I53 HydrophobicContact CB-CD1 3.85Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.18Å; L51-I53 PolarHBondContact O-N 2.93Å; L51-V71 HydrophobicContact CD1-CG2 3.66Å
52N97.3Very high93.5Very high150 Ų15076.7 Ų76.780%0.80239%0.391SS*.THydrogen-bonded Turntrans55.134.5-174.4-57.2-69.9000113.5M48 E49M48-N52 PolarHBondContact O-N 3.22Å; M48-N52 VanDerWaalsContact O-N 3.11Å; E49-N52 PolarHBondContact O-N 3.25Å
53I97.1Very high93.7Very high29 Ų2971.2 Ų71.215%0.14937%0.372CS..  trans-93.3122.1173.8-60.2167.4000108M48 L51 V55 Q67 V71M48-I53 HydrophobicContact CB-CB 4.2Å; M48-I53 HydrophobicContact CE-CB 4.37Å; M48-I53 HydrophobicContact CE-CG2 3.61Å; M48-I53 HydrophobicContact CG-CB 4.44Å; M48-I53 HydrophobicContact CG-CG2 4.48Å; M48-I53 PolarHBondContact O-N 3.5Å; L51-I53 HydrophobicContact CB-CD1 3.85Å; L51-I53 HydrophobicContact CB-CG1 4.03Å; L51-I53 HydrophobicContact CD1-CD1 4.18Å; L51-I53 PolarHBondContact O-N 2.93Å; I53-V55 PolarHBondContact O-N 3Å; I53-Q67 HydrophobicContact CD1-CB 4.18Å; I53-V71 HydrophobicContact CD1-CG2 3.65Å
54P95.2Very high93.9Very high97 Ų9769.6 Ų69.663%0.6337%0.365SS*.  trans-58.8131.4-179-25.634.4000113M48M48-P54 VanDerWaalsContact CE-O 3.22Å; M48-P54 WeakPolarHBondContact CE-O 3.48Å
55V95.9Very high93.9Very high49 Ų4972.2 Ų72.230%0.29738%0.382SS..  trans-96111173.5177.30000108.6T45 M48 E49 I53 R62T45-V55 HydrophobicContact CG2-CG1 4.45Å; T45-V55 HydrophobicContact CG2-CG2 4.25Å; M48-V55 HydrophobicContact CB-CG2 3.71Å; M48-V55 HydrophobicContact CE-CG2 3.91Å; M48-V55 HydrophobicContact CG-CG2 4.47Å; M48-V55 HydrophobicContact SD-CG2 3.99Å; E49-V55 HydrophobicContact CG-CG2 4.5Å; I53-V55 PolarHBondContact O-N 3Å; V55-R62 VanDerWaalsContact CG1-NH1 3.28Å
56M94.7Very high94Very high95 Ų9575.3 Ų75.347%0.46839%0.394SS..  trans-118.2134.9177.8-64.1178.5-66.900109.3R62 V63M56-R62 WeakPolarHBondContact O-CA 3.22Å; M56-V63 HydrophobicContact CB-CB 4.02Å; M56-V63 HydrophobicContact CB-CG2 4.08Å; M56-V63 HydrophobicContact CE-CB 4.44Å; M56-V63 HydrophobicContact CE-CG1 4.12Å; M56-V63 PolarHBondContact O-N 2.86Å
57I91.1Very high94.1Very high118 Ų11877.9 Ų77.961%0.60541%0.406SS*.EExtended strand (participates in β ladder)trans-117.8125.5174.8-59.3177.8000107.1L61I57-L61 CarbonylContact C-O 3.55Å; I57-L61 WeakPolarHBondContact CA-O 3.44Å
58N87.2Confident94.1Very high58 Ų5875.2 Ų75.231%0.3139%0.393SS..EExtended strand (participates in β ladder)trans-124.1126.6174.8-171.17.5000108G60 L61 V63 L116N58-G60 PolarHBondContact O-N 3.32Å; N58-G60 VanDerWaalsContact O-N 3.09Å; N58-L61 PolarHBondContact N-O 2.99Å; N58-L61 PolarHBondContact O-N 3.46Å; N58-L61 VanDerWaalsContact O-O 3.07Å; N58-V63 HydrophobicContact CB-CG2 3.78Å; N58-L116 HydrophobicContact CB-CD2 3.82Å
59E79.5Confident94.1Very high169 Ų16975.6 Ų75.679%0.7940%0.395SS*.THydrogen-bonded Turntrans51.334.9-178.4-65.1173.5-171.900114.2L61E59-L61 PolarHBondContact O-N 2.86Å
60G81.8Confident94.1Very high68 Ų6873.9 Ų73.970%0.70139%0.385SS*.THydrogen-bonded Turntrans79.6-5.6-178.400000114.9N58N58-G60 PolarHBondContact O-N 3.32Å; N58-G60 VanDerWaalsContact O-N 3.09Å
61L88.8Confident94.1Very high40 Ų4065.7 Ų65.721%0.20936%0.355CS..EExtended strand (participates in β ladder)trans-99.5140.1176-62.5173.3000110.8I57 N58 E59 V63 I111 L116 V119I57-L61 CarbonylContact C-O 3.55Å; I57-L61 WeakPolarHBondContact CA-O 3.44Å; N58-L61 PolarHBondContact N-O 2.99Å; N58-L61 PolarHBondContact O-N 3.46Å; N58-L61 VanDerWaalsContact O-O 3.07Å; E59-L61 PolarHBondContact O-N 2.86Å; L61-V63 PolarHBondContact O-N 3.08Å; L61-I111 HydrophobicContact CD1-CD1 4.04Å; L61-L116 HydrophobicContact CB-CD2 4.35Å; L61-L116 HydrophobicContact CD1-CD1 3.82Å; L61-V119 HydrophobicContact CB-CG1 4.5Å; L61-V119 HydrophobicContact CD1-CG1 4.24Å
62R92.9Very high94.1Very high34 Ų3461.5 Ų61.513%0.12833%0.333CS..EExtended strand (participates in β ladder)trans-75.8115.1176.6-176.6-173.6-55-92.7-5.8109.4G41 T45 V55 M56 T64 V119G41-R62 PolarHBondContact O-NH2 3.4Å; T45-R62 PolarHBondContact OG1-NH1 3.01Å; T45-R62 PolarHBondContact OG1-NH2 3.38Å; V55-R62 VanDerWaalsContact CG1-NH1 3.28Å; M56-R62 WeakPolarHBondContact O-CA 3.22Å; R62-T64 PolarHBondContact O-N 3.22Å; R62-T64 VanDerWaalsContact O-N 3.12Å; R62-T64 PolarHBondContact O-OG1 3.39Å; R62-V119 WeakPolarHBondContact O-CG2 3.36Å
63V96.2Very high94.2Very high23 Ų2356.4 Ų56.414%0.13930%0.304CS..  trans-57.5121.2171-179.20000108M56 N58 L61 L116M56-V63 HydrophobicContact CB-CB 4.02Å; M56-V63 HydrophobicContact CB-CG2 4.08Å; M56-V63 HydrophobicContact CE-CB 4.44Å; M56-V63 HydrophobicContact CE-CG1 4.12Å; M56-V63 PolarHBondContact O-N 2.86Å; N58-V63 HydrophobicContact CB-CG2 3.78Å; L61-V63 PolarHBondContact O-N 3.08Å; V63-L116 HydrophobicContact CG2-CD2 4.31Å
64T97.6Very high94.2Very high0 Ų060.4 Ų60.40%032%0.323CS..BIsolated β-bridgetrans-115.798.1-168.8-58.60000109.2R62 A68 L69 L116 G117 Y118 V119 N155R62-T64 PolarHBondContact O-N 3.22Å; R62-T64 VanDerWaalsContact O-N 3.12Å; R62-T64 PolarHBondContact O-OG1 3.39Å; T64-A68 HydrophobicContact CG2-CB 4.17Å; T64-L69 HydrophobicContact CG2-CB 3.75Å; T64-L69 HydrophobicContact CG2-CD1 4.17Å; T64-L116 PolarHBondContact N-O 3.05Å; T64-G117 CarbonylContact O-C 3.6Å; T64-G117 WeakPolarHBondContact O-CA 3.05Å; T64-Y118 WeakPolarHBondContact O-CD2 3.22Å; T64-Y118 PolarHBondContact O-N 3.26Å; T64-V119 WeakPolarHBondContact OG1-CG2 3.5Å; T64-N155 HydrophobicContact CG2-CB 3.94Å; T64-N155 PolarHBondContact OG1-ND2 3.23Å
65T97.3Very high94.3Very high63 Ų6355.9 Ų55.939%0.38729%0.294SS..  trans-72.3172.1168.665.60000111.1Q67 A68 L69T65-Q67 VanDerWaalsContact C-N 3.25Å; T65-Q67 PolarHBondContact O-N 3.23Å; T65-A68 PolarHBondContact O-N 3.01Å; T65-A68 VanDerWaalsContact O-N 3.15Å; T65-A68 WeakPolarHBondContact OG1-CB 2.84Å; T65-A68 PolarHBondContact OG1-N 2.84Å; T65-L69 WeakPolarHBondContact O-CB 3.44Å; T65-L69 PolarHBondContact O-N 2.94Å
66E97.2Very high94.4Very high100 Ų10053.7 Ų53.747%0.46728%0.281SS..Hα-helixtrans-57.1-40.1176.4-166.6-162.9149.800112L69 K70 Y118E66-L69 PolarHBondContact O-N 3.02Å; E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.11Å; E66-K70 VanDerWaalsContact O-N 3.16Å; E66-K70 WeakPolarHBondContact OE1-CE 3.32Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 2.94Å; E66-Y118 HydrophobicContact CB-CE2 3.88Å
67Q97.2Very high94.4Very high103 Ų10351.3 Ų51.348%0.48127%0.269SS..Hα-helixtrans-70.6-41.5176.6-65.5-61.2-19.300111.8I53 T65 L69 K70 V71I53-Q67 HydrophobicContact CD1-CB 4.18Å; T65-Q67 VanDerWaalsContact C-N 3.25Å; T65-Q67 PolarHBondContact O-N 3.23Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.18Å; Q67-K70 PolarHBondContact O-N 3.21Å; Q67-V71 WeakPolarHBondContact O-CG2 3.34Å; Q67-V71 PolarHBondContact O-N 3.37Å
68A97.7Very high94.7Very high0 Ų048.4 Ų48.40%027%0.269CS..Hα-helixtrans-61.2-39.1174.900000111.5M48 T64 T65 V71 T72M48-A68 HydrophobicContact CE-CB 3.7Å; M48-A68 HydrophobicContact SD-CB 4.28Å; T64-A68 HydrophobicContact CG2-CB 4.17Å; T65-A68 PolarHBondContact O-N 3.01Å; T65-A68 VanDerWaalsContact O-N 3.15Å; T65-A68 WeakPolarHBondContact OG1-CB 2.84Å; T65-A68 PolarHBondContact OG1-N 2.84Å; A68-V71 PolarHBondContact O-N 3.44Å; A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 2.92Å; A68-T72 PolarHBondContact O-OG1 3.33Å
69L98.2Very high95Very high7 Ų748.8 Ų48.84%0.03727%0.269CS..Hα-helixtrans-62.5-44.4176.2-176.264.4000111.9T64 T65 E66 Q67 V71 T72 Q73 Y118 W153 N155T64-L69 HydrophobicContact CG2-CB 3.75Å; T64-L69 HydrophobicContact CG2-CD1 4.17Å; T65-L69 WeakPolarHBondContact O-CB 3.44Å; T65-L69 PolarHBondContact O-N 2.94Å; E66-L69 PolarHBondContact O-N 3.02Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.18Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 2.94Å; L69-T72 WeakPolarHBondContact O-CB 3.34Å; L69-T72 PolarHBondContact O-N 3.49Å; L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 2.93Å; L69-Y118 HydrophobicContact CD2-CD1 4.07Å; L69-Y118 HydrophobicContact CD2-CG 3.92Å; L69-W153 HydrophobicContact CD1-CB 4.43Å; L69-W153 HydrophobicContact CD2-CB 3.96Å; L69-W153 WeakPolarHBondContact CD2-O 3.45Å; L69-W153 HydrophobicContact CG-CB 4.48Å; L69-N155 HydrophobicContact CD1-CB 4.28Å
70K98.1Very high95.8Very high86 Ų8640.9 Ų40.937%0.37423%0.232SC..Hα-helixtrans-59.9-44.3175.5-71.7172.2-173.1166.90111.2E66 Q67 Q73 M74E66-K70 WeakPolarHBondContact O-CG 3.44Å; E66-K70 PolarHBondContact O-N 3.11Å; E66-K70 VanDerWaalsContact O-N 3.16Å; E66-K70 WeakPolarHBondContact OE1-CE 3.32Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 2.94Å; Q67-K70 PolarHBondContact O-N 3.21Å; K70-Q73 PolarHBondContact O-N 3.04Å; K70-M74 WeakPolarHBondContact O-CG 3.2Å; K70-M74 PolarHBondContact O-N 3.33Å
71V98.1Very high96.5Very high2 Ų238.4 Ų38.41%0.01220%0.202CC..Hα-helixtrans-62.5-45.3175.1173.30000111.4M47 M48 L51 I53 Q67 A68 L69 Q73 M74 V75M47-V71 HydrophobicContact CB-CG1 3.78Å; M47-V71 HydrophobicContact CG-CG1 3.6Å; M48-V71 HydrophobicContact CG-CB 4.29Å; M48-V71 HydrophobicContact CG-CG1 3.81Å; L51-V71 HydrophobicContact CD1-CG2 3.66Å; I53-V71 HydrophobicContact CD1-CG2 3.65Å; Q67-V71 WeakPolarHBondContact O-CG2 3.34Å; Q67-V71 PolarHBondContact O-N 3.37Å; A68-V71 PolarHBondContact O-N 3.44Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 2.94Å; V71-Q73 VanDerWaalsContact C-N 3.32Å; V71-Q73 PolarHBondContact O-N 2.94Å; V71-M74 HydrophobicContact CB-CE 4.46Å; V71-M74 HydrophobicContact CG2-CE 3.99Å; V71-M74 PolarHBondContact O-N 3.06Å; V71-V75 HydrophobicContact CG1-CG2 4.09Å; V71-V75 WeakPolarHBondContact O-CB 3.49Å; V71-V75 WeakPolarHBondContact O-CG2 3.22Å; V71-V75 PolarHBondContact O-N 3.44Å
72T98Very high96.8Very high0 Ų039 Ų390%021%0.208CC..Hα-helixtrans-56.2-45.6176.4-65.20000111.6I44 A68 L69 V75 L76 L145I44-T72 HydrophobicContact CD1-CG2 3.86Å; A68-T72 WeakPolarHBondContact O-CB 3.34Å; A68-T72 PolarHBondContact O-N 2.92Å; A68-T72 PolarHBondContact O-OG1 3.33Å; L69-T72 WeakPolarHBondContact O-CB 3.34Å; L69-T72 PolarHBondContact O-N 3.49Å; T72-V75 PolarHBondContact O-N 2.77Å; T72-L76 HydrophobicContact CG2-CD1 3.61Å; T72-L76 HydrophobicContact CG2-CG 4.32Å; T72-L76 WeakPolarHBondContact O-CB 3.38Å; T72-L76 VanDerWaalsContact O-CG 3.29Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 2.89Å; T72-L145 HydrophobicContact CG2-CD2 4.05Å
73Q97.8Very high96.9Very high43 Ų4340 Ų4020%0.20122%0.218CC..Hα-helixtrans-61.6-49.8175.5-73.5-179.635.800112.3L69 K70 V71 V75 M77 L145 W153L69-Q73 WeakPolarHBondContact O-CG 3.37Å; L69-Q73 PolarHBondContact O-N 2.93Å; K70-Q73 PolarHBondContact O-N 3.04Å; V71-Q73 VanDerWaalsContact C-N 3.32Å; V71-Q73 PolarHBondContact O-N 2.94Å; Q73-V75 VanDerWaalsContact C-N 3.32Å; Q73-V75 PolarHBondContact O-N 3.15Å; Q73-M77 HydrophobicContact CB-CE 3.58Å; Q73-M77 HydrophobicContact CG-CE 3.9Å; Q73-M77 WeakPolarHBondContact O-CB 3.33Å; Q73-M77 PolarHBondContact O-N 3.24Å; Q73-L145 HydrophobicContact CG-CD1 4.1Å; Q73-L145 HydrophobicContact CG-CD2 4.42Å; Q73-W153 VanDerWaalsContact NE2-CG 3.35Å
74M98Very high96.8Very high113 Ų11339 Ų3956%0.55721%0.212SC*.Hα-helixtrans-59.5-42.5179.6-72.8-174.2-66.700111.9K70 V71 G78 Q79K70-M74 WeakPolarHBondContact O-CG 3.2Å; K70-M74 PolarHBondContact O-N 3.33Å; V71-M74 HydrophobicContact CB-CE 4.46Å; V71-M74 HydrophobicContact CG2-CE 3.99Å; V71-M74 PolarHBondContact O-N 3.06Å; M74-G78 CarbonylContact O-C 3.37Å; M74-G78 WeakPolarHBondContact O-CA 3.48Å; M74-G78 PolarHBondContact O-N 2.93Å; M74-Q79 PolarHBondContact O-N 3.36Å
75V97.1Very high96.7Very high2 Ų240.3 Ų40.31%0.01222%0.22CC..Hα-helixtrans-72.1-49.9-178.8170.30000111.2Y43 I44 M47 V71 T72 Q73 Q79 V80Y43-V75 VanDerWaalsContact CB-CG1 3.42Å; I44-V75 HydrophobicContact CG1-CB 3.98Å; I44-V75 HydrophobicContact CG1-CG1 3.78Å; M47-V75 HydrophobicContact CB-CG2 3.65Å; M47-V75 HydrophobicContact CG-CG2 3.93Å; V71-V75 HydrophobicContact CG1-CG2 4.09Å; V71-V75 WeakPolarHBondContact O-CB 3.49Å; V71-V75 WeakPolarHBondContact O-CG2 3.22Å; V71-V75 PolarHBondContact O-N 3.44Å; T72-V75 PolarHBondContact O-N 2.77Å; Q73-V75 VanDerWaalsContact C-N 3.32Å; Q73-V75 PolarHBondContact O-N 3.15Å; V75-Q79 WeakPolarHBondContact O-CB 3.36Å; V75-Q79 PolarHBondContact O-N 2.85Å; V75-Q79 VanDerWaalsContact O-N 3.12Å; V75-V80 HydrophobicContact CG1-CG2 3.99Å; V75-V80 PolarHBondContact O-N 3.09Å
76L97.2Very high96.5Very high3 Ų340.3 Ų40.32%0.01622%0.22CC..Iπ-helixtrans-65.5-48.3-175.8-69.3174.3000111.8H38 I44 T72 Q81 A143 P144 L145H38-L76 PolarHBondContact CE1-O 2.75Å; I44-L76 HydrophobicContact CD1-CD1 4.34Å; I44-L76 HydrophobicContact CD1-CD2 4.14Å; I44-L76 HydrophobicContact CD1-CG 4.09Å; T72-L76 HydrophobicContact CG2-CD1 3.61Å; T72-L76 HydrophobicContact CG2-CG 4.32Å; T72-L76 WeakPolarHBondContact O-CB 3.38Å; T72-L76 VanDerWaalsContact O-CG 3.29Å; T72-L76 WeakPolarHBondContact O-CG 3.44Å; T72-L76 PolarHBondContact O-N 2.89Å; L76-Q81 WeakPolarHBondContact O-CB 3.45Å; L76-Q81 PolarHBondContact O-N 3.45Å; L76-A143 HydrophobicContact CB-CB 4.39Å; L76-P144 HydrophobicContact CD1-CG 4.03Å; L76-P144 HydrophobicContact CD2-CG 4.35Å; L76-L145 HydrophobicContact CD1-CD1 4.42Å; L76-L145 HydrophobicContact CD1-CD2 4.17Å; L76-L145 HydrophobicContact CD1-CG 4.05Å
77M96.4Very high96.4Very high45 Ų4537.8 Ų37.822%0.22221%0.209CC..Iπ-helixtrans-91.8-26-174.8-60.6-178.4-67.900113.5Q73 P82 N99 A143 L145 W153Q73-M77 HydrophobicContact CB-CE 3.58Å; Q73-M77 HydrophobicContact CG-CE 3.9Å; Q73-M77 WeakPolarHBondContact O-CB 3.33Å; Q73-M77 PolarHBondContact O-N 3.24Å; M77-P82 WeakPolarHBondContact O-CD 3.38Å; M77-P82 WeakPolarHBondContact O-CG 3.32Å; M77-N99 HydrophobicContact CG-CB 4.47Å; M77-N99 HydrophobicContact SD-CB 3.87Å; M77-A143 HydrophobicContact CG-CB 4.16Å; M77-L145 HydrophobicContact CE-CD1 3.92Å; M77-L145 HydrophobicContact CG-CD1 4.15Å; M77-L145 HydrophobicContact SD-CD1 3.94Å; M77-W153 HydrophobicContact SD-CH2 4.36Å
78G95.7Very high96.3Very high58 Ų5832.9 Ų32.960%0.59819%0.187SC*.Iπ-helixtrans-100.5-17.7-175.200000114.9M74M74-G78 CarbonylContact O-C 3.37Å; M74-G78 WeakPolarHBondContact O-CA 3.48Å; M74-G78 PolarHBondContact O-N 2.93Å
79Q94.6Very high96.2Very high66 Ų6638.9 Ų38.931%0.30822%0.215SC..Iπ-helixtrans-122.9-61.2178.6-179-178.5-8.600111.4M74 V75 P82 T83M74-Q79 PolarHBondContact O-N 3.36Å; V75-Q79 WeakPolarHBondContact O-CB 3.36Å; V75-Q79 PolarHBondContact O-N 2.85Å; V75-Q79 VanDerWaalsContact O-N 3.12Å; Q79-P82 WeakPolarHBondContact O-CD 3.22Å; Q79-T83 WeakPolarHBondContact O-CB 3.41Å; Q79-T83 PolarHBondContact O-N 3.04Å; Q79-T83 VanDerWaalsContact O-N 3.09Å; Q79-T83 PolarHBondContact O-OG1 3.12Å
80V95.5Very high96Very high2 Ų244.7 Ų44.71%0.01224%0.241CC..Iπ-helixtrans-70.4-50.8-169.2-176.60000112.2H38 G39 Y43 V75 T83 I84H38-V80 WeakPolarHBondContact ND1-CG1 3.4Å; G39-V80 WeakPolarHBondContact O-CG1 3.37Å; Y43-V80 HydrophobicContact CD2-CG2 3.71Å; Y43-V80 HydrophobicContact CG-CG2 4.24Å; V75-V80 HydrophobicContact CG1-CG2 3.99Å; V75-V80 PolarHBondContact O-N 3.09Å; V80-T83 WeakPolarHBondContact O-CB 3.42Å; V80-T83 PolarHBondContact O-N 2.92Å; V80-I84 HydrophobicContact CG1-CD1 3.85Å; V80-I84 HydrophobicContact CG1-CG1 4.46Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.16Å
81Q96.3Very high95.9Very high17 Ų1744.8 Ų44.88%0.07924%0.243CC..Hα-helixtrans-60.5-45.7178.9-179.6178.673.300112.6L76 T83 I84 T85 L98 I141L76-Q81 WeakPolarHBondContact O-CB 3.45Å; L76-Q81 PolarHBondContact O-N 3.45Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; Q81-T83 PolarHBondContact O-N 3.34Å; Q81-I84 PolarHBondContact O-N 3.16Å; Q81-T85 HydrophobicContact CG-CG2 4.43Å; Q81-T85 WeakPolarHBondContact O-CG2 3.38Å; Q81-T85 PolarHBondContact O-N 2.84Å; Q81-T85 PolarHBondContact O-OG1 2.91Å; Q81-L98 PolarHBondContact NE2-O 2.92Å; Q81-I141 HydrophobicContact CG-CG2 4.13Å; Q81-I141 PolarHBondContact NE2-O 2.78Å
82P95.4Very high95.7Very high51 Ų5148 Ų4833%0.33128%0.276SS..Hα-helixtrans-58.3-40.3172.4-29.537.7000113.9M77 Q79 T85 T86M77-P82 WeakPolarHBondContact O-CD 3.38Å; M77-P82 WeakPolarHBondContact O-CG 3.32Å; Q79-P82 WeakPolarHBondContact O-CD 3.22Å; P82-T85 VanDerWaalsContact CA-OG1 3.31Å; P82-T85 WeakPolarHBondContact CA-OG1 3.4Å; P82-T85 PolarHBondContact O-OG1 2.82Å; P82-T86 WeakPolarHBondContact O-CB 3.45Å; P82-T86 PolarHBondContact O-N 2.9Å; P82-T86 PolarHBondContact O-OG1 2.81Å
83T94.5Very high95.7Very high56 Ų5649 Ų4934%0.34428%0.281SS..Hα-helixtrans-61.9-48175.9-64.50000111.3Q79 V80 Q81 T86 L87Q79-T83 WeakPolarHBondContact O-CB 3.41Å; Q79-T83 PolarHBondContact O-N 3.04Å; Q79-T83 VanDerWaalsContact O-N 3.09Å; Q79-T83 PolarHBondContact O-OG1 3.12Å; V80-T83 WeakPolarHBondContact O-CB 3.42Å; V80-T83 PolarHBondContact O-N 2.92Å; Q81-T83 VanDerWaalsContact C-N 3.34Å; Q81-T83 PolarHBondContact O-N 3.34Å; T83-T86 PolarHBondContact O-N 2.75Å; T83-L87 HydrophobicContact CG2-CD1 4.23Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.13Å
84I94.7Very high95.6Very high1 Ų148.3 Ų48.31%0.00529%0.286CS..Hα-helixtrans-63.3-48.8179.9-66.8170.1000111H38 V80 Q81 T86 L87 F88 I141H38-I84 HydrophobicContact CB-CD1 3.31Å; V80-I84 HydrophobicContact CG1-CD1 3.85Å; V80-I84 HydrophobicContact CG1-CG1 4.46Å; V80-I84 WeakPolarHBondContact O-CG1 3.41Å; V80-I84 PolarHBondContact O-N 3.16Å; Q81-I84 PolarHBondContact O-N 3.16Å; I84-T86 VanDerWaalsContact C-N 3.27Å; I84-T86 PolarHBondContact O-N 3.01Å; I84-L87 PolarHBondContact O-N 2.82Å; I84-L87 VanDerWaalsContact O-N 3.14Å; I84-F88 HydrophobicContact CG2-CD2 3.8Å; I84-F88 HydrophobicContact CG2-CE2 3.8Å; I84-F88 WeakPolarHBondContact O-CD2 3.49Å; I84-F88 PolarHBondContact O-N 2.78Å; I84-I141 HydrophobicContact CB-CG2 4.29Å; I84-I141 HydrophobicContact CG2-CD1 4.22Å; I84-I141 HydrophobicContact CG2-CG1 4.47Å; I84-I141 HydrophobicContact CG2-CG2 3.84Å
85T94.9Very high95.6Very high28 Ų2844.3 Ų44.317%0.17227%0.267CS..Hα-helixtrans-59.7-38.8178.750.30000111.8Q81 P82 F88 Q89 T95 I141Q81-T85 HydrophobicContact CG-CG2 4.43Å; Q81-T85 WeakPolarHBondContact O-CG2 3.38Å; Q81-T85 PolarHBondContact O-N 2.84Å; Q81-T85 PolarHBondContact O-OG1 2.91Å; P82-T85 VanDerWaalsContact CA-OG1 3.31Å; P82-T85 WeakPolarHBondContact CA-OG1 3.4Å; P82-T85 PolarHBondContact O-OG1 2.82Å; T85-F88 PolarHBondContact O-N 3.23Å; T85-Q89 VanDerWaalsContact O-CB 3.28Å; T85-Q89 WeakPolarHBondContact O-CB 3.05Å; T85-Q89 PolarHBondContact O-N 2.94Å; T85-T95 WeakPolarHBondContact CB-OG1 3.44Å; T85-I141 HydrophobicContact CG2-CB 4.03Å; T85-I141 HydrophobicContact CG2-CG1 3.71Å; T85-I141 HydrophobicContact CG2-CG2 4.4Å
86T94.7Very high95.7Very high64 Ų6446.7 Ų46.739%0.39328%0.28SS..Hα-helixtrans-63.6-43.8174.7-57.80000111.8P82 T83 I84 Q89 Q90P82-T86 WeakPolarHBondContact O-CB 3.45Å; P82-T86 PolarHBondContact O-N 2.9Å; P82-T86 PolarHBondContact O-OG1 2.81Å; T83-T86 PolarHBondContact O-N 2.75Å; I84-T86 VanDerWaalsContact C-N 3.27Å; I84-T86 PolarHBondContact O-N 3.01Å; T86-Q89 PolarHBondContact O-N 3.27Å; T86-Q90 VanDerWaalsContact O-CG 3.28Å; T86-Q90 WeakPolarHBondContact O-CG 3.39Å; T86-Q90 PolarHBondContact O-N 2.89Å
87L94Very high95.7Very high47 Ų4748.1 Ų48.125%0.24630%0.295CS..Hα-helixtrans-61.8-45.7177.3-71.9170000111.8S13 L16 F21 T83 I84 Q89 Q90 Q91S13-L87 WeakPolarHBondContact O-CD1 3.44Å; L16-L87 HydrophobicContact CD1-CD1 4.46Å; F21-L87 HydrophobicContact CZ-CB 4.26Å; T83-L87 HydrophobicContact CG2-CD1 4.23Å; T83-L87 WeakPolarHBondContact O-CG 3.45Å; T83-L87 PolarHBondContact O-N 3.13Å; I84-L87 PolarHBondContact O-N 2.82Å; I84-L87 VanDerWaalsContact O-N 3.14Å; L87-Q89 PolarHBondContact O-N 2.88Å; L87-Q90 PolarHBondContact O-N 3.15Å; L87-Q91 WeakPolarHBondContact O-CG 3.13Å; L87-Q91 PolarHBondContact O-N 3.44Å
88F95.6Very high95.8Very high0 Ų046.5 Ų46.50%029%0.287CS..Hα-helixtrans-62.5-42175.6-89.4-103.4000112.2I8 L16 F20 F21 I24 I36 I84 T85 Q90 Q91 G92 F93 T95 I139 I141I8-F88 HydrophobicContact CD1-CE2 4.46Å; L16-F88 HydrophobicContact CD1-CE2 4.43Å; F20-F88 HydrophobicContact CE1-CE1 4.5Å; F20-F88 HydrophobicContact CE1-CE2 4.06Å; F20-F88 AromaticContact CE1-CZ 3.66Å; F20-F88 HydrophobicContact CE1-CZ 3.66Å; F20-F88 HydrophobicContact CZ-CZ 4.11Å; F21-F88 HydrophobicContact CE1-CD1 4.3Å; F21-F88 AromaticContact CE1-CD2 3.87Å; F21-F88 HydrophobicContact CE1-CD2 3.87Å; F21-F88 HydrophobicContact CE1-CE1 4.45Å; F21-F88 HydrophobicContact CE1-CE2 4.04Å; F21-F88 HydrophobicContact CE1-CG 4.02Å; F21-F88 HydrophobicContact CE1-CZ 4.35Å; I24-F88 HydrophobicContact CG2-CE1 4.46Å; I36-F88 HydrophobicContact CD1-CZ 4.04Å; I36-F88 HydrophobicContact CG1-CE1 4.35Å; I36-F88 HydrophobicContact CG1-CZ 3.83Å; I84-F88 HydrophobicContact CG2-CD2 3.8Å; I84-F88 HydrophobicContact CG2-CE2 3.8Å; I84-F88 WeakPolarHBondContact O-CD2 3.49Å; I84-F88 PolarHBondContact O-N 2.78Å; T85-F88 PolarHBondContact O-N 3.23Å; F88-Q90 VanDerWaalsContact C-N 3.34Å; F88-Q90 PolarHBondContact O-N 3.15Å; F88-Q91 CarbonylContact O-C 3.46Å; F88-Q91 WeakPolarHBondContact O-CA 3.3Å; F88-Q91 PolarHBondContact O-N 3.3Å; F88-G92 PolarHBondContact O-N 3.08Å; F88-F93 HydrophobicContact CB-CB 4.18Å; F88-F93 HydrophobicContact CD1-CB 3.9Å; F88-F93 AromaticContact CD1-CD2 3.97Å; F88-F93 HydrophobicContact CD1-CD2 3.97Å; F88-F93 AromaticContact CD1-CG 4Å; F88-F93 HydrophobicContact CD1-CG 4Å; F88-F93 PolarHBondContact O-N 2.64Å; F88-T95 HydrophobicContact CB-CG2 3.35Å; F88-T95 HydrophobicContact CD1-CG2 3.92Å; F88-T95 HydrophobicContact CG-CG2 3.79Å; F88-I139 HydrophobicContact CD1-CD1 3.96Å; F88-I139 HydrophobicContact CE1-CD1 3.8Å; F88-I139 HydrophobicContact CE1-CG2 4.33Å; F88-I141 HydrophobicContact CE2-CD1 4.42Å
89Q95.1Very high95.8Very high126 Ų12644.9 Ų44.959%0.58927%0.265SS*.Hα-helixtrans-64.1-37.9178.1-175.5-111.8-17.500112.2T85 T86 L87 Q91 G92T85-Q89 VanDerWaalsContact O-CB 3.28Å; T85-Q89 WeakPolarHBondContact O-CB 3.05Å; T85-Q89 PolarHBondContact O-N 2.94Å; T86-Q89 PolarHBondContact O-N 3.27Å; L87-Q89 PolarHBondContact O-N 2.88Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q89-G92 PolarHBondContact O-N 2.86Å
90Q94.6Very high95.9Very high128 Ų12841.8 Ų41.860%0.59825%0.25SS*.Hα-helixtrans-62.5-26.6173-73.9172.1-2.700112.9T86 L87 F88 G92T86-Q90 VanDerWaalsContact O-CG 3.28Å; T86-Q90 WeakPolarHBondContact O-CG 3.39Å; T86-Q90 PolarHBondContact O-N 2.89Å; L87-Q90 PolarHBondContact O-N 3.15Å; F88-Q90 VanDerWaalsContact C-N 3.34Å; F88-Q90 PolarHBondContact O-N 3.15Å; Q90-G92 VanDerWaalsContact C-N 3.34Å
91Q95.4Very high95.9Very high89 Ų8944.6 Ų44.642%0.41627%0.27SS..THydrogen-bonded Turntrans-91.96.3175.6-58.8-64.6-38.800112.7F21 L87 F88 Q89 F93F21-Q91 HydrophobicContact CB-CB 4.41Å; F21-Q91 HydrophobicContact CB-CG 4.28Å; F21-Q91 HydrophobicContact CD1-CB 3.94Å; F21-Q91 HydrophobicContact CD1-CG 3.77Å; F21-Q91 HydrophobicContact CD2-CG 3.69Å; F21-Q91 HydrophobicContact CE1-CB 4.36Å; F21-Q91 HydrophobicContact CE1-CG 3.94Å; F21-Q91 HydrophobicContact CE2-CG 3.87Å; F21-Q91 HydrophobicContact CG-CB 4.07Å; F21-Q91 HydrophobicContact CG-CG 3.64Å; F21-Q91 HydrophobicContact CZ-CG 3.99Å; L87-Q91 WeakPolarHBondContact O-CG 3.13Å; L87-Q91 PolarHBondContact O-N 3.44Å; F88-Q91 CarbonylContact O-C 3.46Å; F88-Q91 WeakPolarHBondContact O-CA 3.3Å; F88-Q91 PolarHBondContact O-N 3.3Å; Q89-Q91 PolarHBondContact O-N 3.41Å; Q91-F93 HydrophobicContact CB-CD2 3.8Å; Q91-F93 HydrophobicContact CB-CE2 3.82Å
92G95.1Very high95.9Very high68 Ų6845.1 Ų45.170%0.70128%0.275SS*.THydrogen-bonded Turntrans87.55.317500000115.6F88 Q89 Q90F88-G92 PolarHBondContact O-N 3.08Å; Q89-G92 PolarHBondContact O-N 2.86Å; Q90-G92 VanDerWaalsContact C-N 3.34Å
93F96.7Very high95.8Very high21 Ų2147.1 Ų47.19%0.09228%0.283CS..  trans-83.3137.5177.7-61.5-81000112F21 I24 E25 Q28 F88 Q91 T95 I139F21-F93 HydrophobicContact CB-CE2 4.04Å; F21-F93 HydrophobicContact CD1-CD2 4.17Å; F21-F93 AromaticContact CD1-CE2 3.78Å; F21-F93 HydrophobicContact CD1-CE2 3.78Å; F21-F93 HydrophobicContact CG-CE2 4.35Å; I24-F93 HydrophobicContact CB-CE1 4.34Å; I24-F93 HydrophobicContact CB-CZ 4.15Å; I24-F93 HydrophobicContact CG2-CD1 4.25Å; I24-F93 HydrophobicContact CG2-CE1 3.71Å; I24-F93 HydrophobicContact CG2-CZ 3.98Å; E25-F93 HydrophobicContact CB-CE1 4.34Å; E25-F93 HydrophobicContact CB-CZ 4.02Å; Q28-F93 VanDerWaalsContact OE1-CD1 3.31Å; Q28-F93 VanDerWaalsContact OE1-CE1 3.3Å; F88-F93 HydrophobicContact CB-CB 4.18Å; F88-F93 HydrophobicContact CD1-CB 3.9Å; F88-F93 AromaticContact CD1-CD2 3.97Å; F88-F93 HydrophobicContact CD1-CD2 3.97Å; F88-F93 AromaticContact CD1-CG 4Å; F88-F93 HydrophobicContact CD1-CG 4Å; F88-F93 PolarHBondContact O-N 2.64Å; Q91-F93 HydrophobicContact CB-CD2 3.8Å; Q91-F93 HydrophobicContact CB-CE2 3.82Å; F93-T95 HydrophobicContact CB-CG2 4.47Å; F93-I139 HydrophobicContact CB-CD1 4.19Å; F93-I139 HydrophobicContact CD1-CD1 3.78Å; F93-I139 HydrophobicContact CE1-CD1 4.5Å; F93-I139 HydrophobicContact CG-CD1 4.13Å
94G97Very high95.7Very high30 Ų3048.7 Ų48.731%0.30929%0.29SS..  trans-77.9120.5166.300000110.3Y138 I139G94-Y138 CarbonylContact O-C 3.53Å; G94-Y138 VanDerWaalsContact O-CA 3.26Å; G94-Y138 WeakPolarHBondContact O-CA 3.3Å; G94-Y138 WeakPolarHBondContact O-CB 3.39Å; G94-I139 PolarHBondContact O-N 2.93Å
95T97.5Very high95.9Very high28 Ų2848.6 Ų48.617%0.17229%0.289CS..EExtended strand (participates in β ladder)trans-126.4148.8179.561.80000112.3T85 F88 F93 I139 I141T85-T95 WeakPolarHBondContact CB-OG1 3.44Å; F88-T95 HydrophobicContact CB-CG2 3.35Å; F88-T95 HydrophobicContact CD1-CG2 3.92Å; F88-T95 HydrophobicContact CG-CG2 3.79Å; F93-T95 HydrophobicContact CB-CG2 4.47Å; T95-I139 VanDerWaalsContact CA-O 3.27Å; T95-I139 WeakPolarHBondContact CA-O 3.44Å; T95-I139 HydrophobicContact CG2-CB 4.25Å; T95-I141 HydrophobicContact CG2-CD1 4.18Å; T95-I141 HydrophobicContact CG2-CG1 4.17Å
96I97.8Very high96Very high53 Ų5347.3 Ų47.327%0.27228%0.281SS..EExtended strand (participates in β ladder)trans-128127.1169.1-69.1177.5000108.9L98 V133 Y138 I139 P140 I141I96-L98 HydrophobicContact CG2-CD2 3.93Å; I96-L98 HydrophobicContact CG2-CG 4.34Å; I96-V133 HydrophobicContact CB-CG1 3.96Å; I96-V133 HydrophobicContact CB-CG2 3.99Å; I96-V133 HydrophobicContact CD1-CG1 4.22Å; I96-V133 HydrophobicContact CD1-CG2 3.98Å; I96-V133 HydrophobicContact CG1-CG1 4.36Å; I96-V133 HydrophobicContact CG2-CG2 3.95Å; I96-Y138 HydrophobicContact CD1-CD2 3.64Å; I96-Y138 HydrophobicContact CD1-CE2 4.31Å; I96-Y138 HydrophobicContact CG1-CD2 3.84Å; I96-I139 PolarHBondContact N-O 2.85Å; I96-I139 VanDerWaalsContact N-O 3.14Å; I96-P140 WeakPolarHBondContact O-CA 3.46Å; I96-I141 PolarHBondContact O-N 3.37Å
97G97.7Very high96.2Very high32 Ų3246.5 Ų46.533%0.3327%0.273SS..EExtended strand (participates in β ladder)trans-72.1128.2170.400000110.9I141G97-I141 WeakPolarHBondContact CA-O 3.48Å
98L98.2Very high96.3Very high12 Ų1244.6 Ų44.66%0.06327%0.265CS..EExtended strand (participates in β ladder)trans-125.4158.3174.7-62.5-179.3000110.4Q81 I96 M105 A129 I130 V133 P140 I141 I142 A143Q81-L98 PolarHBondContact NE2-O 2.92Å; I96-L98 HydrophobicContact CG2-CD2 3.93Å; I96-L98 HydrophobicContact CG2-CG 4.34Å; L98-M105 HydrophobicContact CB-CE 4.05Å; L98-M105 HydrophobicContact CB-SD 4.04Å; L98-M105 HydrophobicContact CD1-SD 4.04Å; L98-A129 HydrophobicContact CD1-CB 4.48Å; L98-I130 HydrophobicContact CD1-CG1 4.21Å; L98-V133 HydrophobicContact CD1-CG2 3.99Å; L98-V133 HydrophobicContact CD2-CG2 4.22Å; L98-V133 HydrophobicContact CG-CG2 4.37Å; L98-P140 HydrophobicContact CD1-CB 3.77Å; L98-P140 HydrophobicContact CG-CB 4.41Å; L98-I141 PolarHBondContact N-O 3.12Å; L98-I142 HydrophobicContact CB-CG1 4.09Å; L98-I142 WeakPolarHBondContact O-CA 3.49Å; L98-A143 PolarHBondContact O-N 3.25Å
99N97.2Very high96.4Very high24 Ų2447.4 Ų47.413%0.12828%0.282CS..  trans-154.7179.9175.962.963.5000109.7M77 S101 S102 M105 A143M77-N99 HydrophobicContact CG-CB 4.47Å; M77-N99 HydrophobicContact SD-CB 3.87Å; N99-S101 PolarHBondContact O-N 3.47Å; N99-S101 PolarHBondContact OD1-N 2.83Å; N99-S101 PolarHBondContact OD1-OG 3.03Å; N99-S102 PolarHBondContact N-OG 3.14Å; N99-S102 VanDerWaalsContact N-OG 3.13Å; N99-S102 WeakPolarHBondContact O-CB 3.25Å; N99-S102 PolarHBondContact O-N 3.28Å; N99-S102 PolarHBondContact O-OG 3.13Å; N99-M105 WeakPolarHBondContact O-CE 3.41Å; N99-A143 HydrophobicContact CB-CB 4.16Å
100A96.3Very high96.5Very high0 Ų043.6 Ų43.60%026%0.264CS..THydrogen-bonded Turntrans-47.2-38.5-177.700000114.8S102 N104 M105 I106 L145 M147 W153A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.96Å; A100-N104 CarbonylContact O-C 3.59Å; A100-N104 WeakPolarHBondContact O-CA 3.21Å; A100-M105 PolarHBondContact O-N 3.42Å; A100-I106 HydrophobicContact CB-CB 4.23Å; A100-L145 HydrophobicContact CB-CB 4.38Å; A100-L145 WeakPolarHBondContact CB-O 3.43Å; A100-M147 HydrophobicContact CB-CG 3.85Å; A100-M147 WeakPolarHBondContact O-CE 3.43Å; A100-W153 HydrophobicContact CB-CE3 4.32Å; A100-W153 HydrophobicContact CB-CH2 4.27Å; A100-W153 HydrophobicContact CB-CZ3 3.76Å
101S94.7Very high96.4Very high62 Ų6241.1 Ų41.143%0.43425%0.254SS..THydrogen-bonded Turntrans-81.5-4.9-176.974.30000114.4N99 D103N99-S101 PolarHBondContact O-N 3.47Å; N99-S101 PolarHBondContact OD1-N 2.83Å; N99-S101 PolarHBondContact OD1-OG 3.03Å; S101-D103 PolarHBondContact O-N 3.31Å
102S96.4Very high96.3Very high27 Ų2739 Ų3919%0.18925%0.245CC..SBendtrans-72.189174.2-54.50000109.2N99 A100 N104 M105 A129N99-S102 PolarHBondContact N-OG 3.14Å; N99-S102 VanDerWaalsContact N-OG 3.13Å; N99-S102 WeakPolarHBondContact O-CB 3.25Å; N99-S102 PolarHBondContact O-N 3.28Å; N99-S102 PolarHBondContact O-OG 3.13Å; A100-S102 VanDerWaalsContact C-N 3.28Å; A100-S102 PolarHBondContact O-N 2.96Å; S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.41Å; S102-M105 VanDerWaalsContact O-CB 3.25Å; S102-M105 WeakPolarHBondContact O-CB 3.38Å; S102-M105 PolarHBondContact O-N 3.38Å; S102-A129 WeakPolarHBondContact O-CB 3.47Å
103D93.8Very high96.2Very high93 Ų9340.9 Ų40.950%0.49724%0.236SC..THydrogen-bonded Turntrans57.739.5-177.4-160.835.3000114S101 M105 N126 A129S101-D103 PolarHBondContact O-N 3.31Å; D103-M105 PolarHBondContact O-N 2.92Å; D103-N126 PolarHBondContact O-ND2 2.85Å; D103-A129 HydrophobicContact CB-CB 4.1Å
104N93.3Very high96Very high89 Ų8949 Ų4948%0.47627%0.274SS..THydrogen-bonded Turntrans54.438-177.5-51.2-61.1000113.3A100 S102 I106 Q107A100-N104 CarbonylContact O-C 3.59Å; A100-N104 WeakPolarHBondContact O-CA 3.21Å; S102-N104 VanDerWaalsContact C-N 3.32Å; S102-N104 PolarHBondContact O-N 3.41Å; N104-I106 PolarHBondContact O-N 3.26Å; N104-Q107 PolarHBondContact O-NE2 3.38Å
105M97.4Very high95.9Very high0 Ų053.5 Ų53.50%029%0.285CS..  trans-57.4-40.1-172.6-177.7178.476.300114.4L98 N99 A100 S102 D103 I125 N126 I130 I142L98-M105 HydrophobicContact CB-CE 4.05Å; L98-M105 HydrophobicContact CB-SD 4.04Å; L98-M105 HydrophobicContact CD1-SD 4.04Å; N99-M105 WeakPolarHBondContact O-CE 3.41Å; A100-M105 PolarHBondContact O-N 3.42Å; S102-M105 VanDerWaalsContact O-CB 3.25Å; S102-M105 WeakPolarHBondContact O-CB 3.38Å; S102-M105 PolarHBondContact O-N 3.38Å; D103-M105 PolarHBondContact O-N 2.92Å; M105-I125 WeakPolarHBondContact O-CA 3.4Å; M105-N126 PolarHBondContact O-N 2.81Å; M105-I130 HydrophobicContact CG-CD1 4.05Å; M105-I130 HydrophobicContact CG-CG1 4.08Å; M105-I130 HydrophobicContact SD-CD1 3.8Å; M105-I130 HydrophobicContact SD-CG1 3.47Å; M105-I130 WeakPolarHBondContact SD-CG1 3.25Å; M105-I142 HydrophobicContact CE-CB 4.38Å; M105-I142 HydrophobicContact CE-CD1 4.34Å; M105-I142 HydrophobicContact CE-CG1 4.14Å; M105-I142 HydrophobicContact CE-CG2 3.46Å; M105-I142 VanDerWaalsContact CE-CG2 3.46Å; M105-I142 HydrophobicContact SD-CD1 4.24Å; M105-I142 HydrophobicContact SD-CG1 4.44Å
106I98Very high95.8Very high0 Ų052.4 Ų52.40%028%0.278CS..EExtended strand (participates in β ladder)trans-125.3109.9-176-54.2175.4000109.1A100 N104 I122 I125 I142 L145 G146 M147 T161 I165A100-I106 HydrophobicContact CB-CB 4.23Å; N104-I106 PolarHBondContact O-N 3.26Å; I106-I122 HydrophobicContact CG2-CD1 4.07Å; I106-I122 HydrophobicContact CG2-CG1 3.87Å; I106-I122 HydrophobicContact CG2-CG2 4.49Å; I106-I125 HydrophobicContact CB-CD1 4.26Å; I106-I125 HydrophobicContact CG1-CD1 3.89Å; I106-I125 HydrophobicContact CG2-CD1 4.05Å; I106-I142 HydrophobicContact CD1-CG2 4.05Å; I106-L145 WeakPolarHBondContact CB-O 3.39Å; I106-L145 VanDerWaalsContact CD1-O 3.29Å; I106-L145 WeakPolarHBondContact CD1-O 3.12Å; I106-L145 WeakPolarHBondContact CG2-O 3.44Å; I106-G146 WeakPolarHBondContact O-CA 3.49Å; I106-M147 PolarHBondContact O-N 3.02Å; I106-T161 HydrophobicContact CD1-CG2 3.82Å; I106-I165 HydrophobicContact CD1-CD1 4.47Å
107Q97.6Very high95.7Very high47 Ų4750.7 Ų50.722%0.2227%0.274CS..EExtended strand (participates in β ladder)trans-109.3143.2-179.9-62.1156.328.200109.7N104 I122 T123 E124 M147N104-Q107 PolarHBondContact O-NE2 3.38Å; Q107-I122 WeakPolarHBondContact O-CA 3.29Å; Q107-T123 PolarHBondContact O-N 2.96Å; Q107-T123 PolarHBondContact O-OG1 3.04Å; Q107-E124 HydrophobicContact CB-CB 4.21Å; Q107-E124 PolarHBondContact N-O 2.96Å; Q107-E124 PolarHBondContact O-N 2.69Å; Q107-E124 PolarHBondContact OE1-OE2 2.95Å; Q107-M147 CarbonylContact C-O 3.43Å; Q107-M147 VanDerWaalsContact CA-O 3.23Å; Q107-M147 WeakPolarHBondContact CA-O 3.35Å
108G96.6Very high95.8Very high7 Ų751.8 Ų51.87%0.07227%0.268CS..EExtended strand (participates in β ladder)trans-158.1176-174.800000114.9E121 M147 T148G108-E121 CarbonylContact C-O 3.49Å; G108-E121 WeakPolarHBondContact CA-O 3.26Å; G108-M147 PolarHBondContact N-O 3.38Å; G108-T148 VanDerWaalsContact O-CA 3.29Å; G108-T148 WeakPolarHBondContact O-CA 3.49Å
109T97.1Very high95.7Very high60 Ų6051.4 Ų51.437%0.36827%0.266SS..EExtended strand (participates in β ladder)trans-126.7166174.2-1720000110.2G120 E121 T123T109-G120 CarbonylContact O-C 3.59Å; T109-G120 WeakPolarHBondContact O-CA 3.49Å; T109-E121 HydrophobicContact CG2-CG 3.66Å; T109-E121 WeakPolarHBondContact CG2-OE1 3.22Å; T109-E121 PolarHBondContact N-O 3.23Å; T109-E121 PolarHBondContact O-N 2.88Å; T109-T123 HydrophobicContact CG2-CG2 3.85Å
110F97.4Very high95.7Very high46 Ų4650.4 Ų50.420%0.20226%0.262CS..EExtended strand (participates in β ladder)trans-70.2139.5172.8-63.2-86.9000110.6Q113 Y118 T148 Q152 L154F110-Q113 HydrophobicContact CB-CB 4.21Å; F110-Q113 HydrophobicContact CD1-CB 4.17Å; F110-Q113 HydrophobicContact CD1-CG 3.94Å; F110-Q113 HydrophobicContact CE1-CG 4.14Å; F110-Q113 HydrophobicContact CG-CB 4.23Å; F110-Q113 HydrophobicContact CG-CG 4.35Å; F110-Y118 AromaticContact CE1-CD1 3.88Å; F110-Y118 HydrophobicContact CE1-CD1 3.88Å; F110-Y118 HydrophobicContact CZ-CD1 4.34Å; F110-T148 HydrophobicContact CD2-CG2 4.35Å; F110-T148 HydrophobicContact CE2-CG2 3.89Å; F110-T148 HydrophobicContact CZ-CG2 4.44Å; F110-Q152 HydrophobicContact CZ-CG 3.84Å; F110-L154 HydrophobicContact CD1-CD2 3.69Å; F110-L154 HydrophobicContact CE1-CD2 3.59Å; F110-L154 HydrophobicContact CE2-CD2 4.45Å; F110-L154 HydrophobicContact CG-CD2 4.19Å; F110-L154 HydrophobicContact CZ-CD2 4Å
111I93.8Very high95.6Very high75 Ų7555.3 Ų55.339%0.38529%0.285SS..SBendtrans-76-62.3172.6-61.7179.3000110L61 L116 V119 E121L61-I111 HydrophobicContact CD1-CD1 4.04Å; I111-L116 HydrophobicContact CB-CD1 4.28Å; I111-L116 HydrophobicContact CG2-CD1 4.1Å; I111-V119 HydrophobicContact CD1-CG1 4.09Å; I111-V119 PolarHBondContact N-O 2.97Å; I111-V119 VanDerWaalsContact N-O 3.16Å; I111-E121 HydrophobicContact CD1-CB 4.23Å; I111-E121 HydrophobicContact CG1-CB 3.88Å; I111-E121 HydrophobicContact CG1-CG 4.15Å
112D93.1Very high95.7Very high44 Ų4453.4 Ų53.424%0.23527%0.269CS..  trans-147.295.1175.4-176.3-29.8000107.5E114 K115 L116D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.97Å; D112-E114 PolarHBondContact OD1-N 2.87Å; D112-K115 HydrophobicContact CB-CB 4.37Å; D112-K115 PolarHBondContact O-N 2.92Å; D112-K115 PolarHBondContact OD1-N 3.14Å; D112-K115 VanDerWaalsContact OD2-CD 3.24Å; D112-K115 WeakPolarHBondContact OD2-CD 3.49Å; D112-K115 WeakPolarHBondContact OD2-CE 3.42Å; D112-K115 VanDerWaalsContact OD2-CG 3.31Å; D112-K115 WeakPolarHBondContact OD2-CG 3.33Å; D112-K115 IonicContact OD2-NZ 3.79Å; D112-K115 PolarHBondContact OD2-NZ 3.47Å; D112-L116 HydrophobicContact CB-CD1 4.34Å; D112-L116 HydrophobicContact CB-CG 4.43Å; D112-L116 WeakPolarHBondContact O-CA 3.47Å; D112-L116 VanDerWaalsContact O-CB 3.31Å; D112-L116 WeakPolarHBondContact O-CB 3.47Å; D112-L116 PolarHBondContact O-N 3.28Å
113Q92.7Very high95.5Very high108 Ų10856.6 Ų56.651%0.50529%0.288SS..Hα-helixtrans-66.3-30.8-172.9-166.9175.316.200112.3F110 G117F110-Q113 HydrophobicContact CB-CB 4.21Å; F110-Q113 HydrophobicContact CD1-CB 4.17Å; F110-Q113 HydrophobicContact CD1-CG 3.94Å; F110-Q113 HydrophobicContact CE1-CG 4.14Å; F110-Q113 HydrophobicContact CG-CB 4.23Å; F110-Q113 HydrophobicContact CG-CG 4.35Å; Q113-G117 WeakPolarHBondContact O-CA 3.46Å; Q113-G117 PolarHBondContact O-N 2.87Å; Q113-G117 VanDerWaalsContact O-N 3.12Å
114E92.9Very high95.5Very high192 Ų19257.3 Ų57.390%0.89729%0.288SS*.Hα-helixtrans-71.7-42.3179.9-65.3-171169.100111.4D112D112-E114 VanDerWaalsContact C-N 3.26Å; D112-E114 PolarHBondContact O-N 2.97Å; D112-E114 PolarHBondContact OD1-N 2.87Å
115K93.8Very high95.6Very high124 Ų12453.9 Ų53.954%0.53927%0.27SS..Hα-helixtrans-89.1-33.6-177.3-61.5-169.3-160114.80114.3D112D112-K115 HydrophobicContact CB-CB 4.37Å; D112-K115 PolarHBondContact O-N 2.92Å; D112-K115 PolarHBondContact OD1-N 3.14Å; D112-K115 VanDerWaalsContact OD2-CD 3.24Å; D112-K115 WeakPolarHBondContact OD2-CD 3.49Å; D112-K115 WeakPolarHBondContact OD2-CE 3.42Å; D112-K115 VanDerWaalsContact OD2-CG 3.31Å; D112-K115 WeakPolarHBondContact OD2-CG 3.33Å; D112-K115 IonicContact OD2-NZ 3.79Å; D112-K115 PolarHBondContact OD2-NZ 3.47Å
116L96.1Very high95.6Very high6 Ų655.9 Ų55.93%0.03128%0.28CS..Hα-helixtrans-113.4-14.5-170.4-58.5175.1000113.4N58 L61 V63 T64 I111 D112 V119N58-L116 HydrophobicContact CB-CD2 3.82Å; L61-L116 HydrophobicContact CB-CD2 4.35Å; L61-L116 HydrophobicContact CD1-CD1 3.82Å; V63-L116 HydrophobicContact CG2-CD2 4.31Å; T64-L116 PolarHBondContact N-O 3.05Å; I111-L116 HydrophobicContact CB-CD1 4.28Å; I111-L116 HydrophobicContact CG2-CD1 4.1Å; D112-L116 HydrophobicContact CB-CD1 4.34Å; D112-L116 HydrophobicContact CB-CG 4.43Å; D112-L116 WeakPolarHBondContact O-CA 3.47Å; D112-L116 VanDerWaalsContact O-CB 3.31Å; D112-L116 WeakPolarHBondContact O-CB 3.47Å; D112-L116 PolarHBondContact O-N 3.28Å; L116-V119 HydrophobicContact CB-CB 3.85Å; L116-V119 HydrophobicContact CB-CG2 3.89Å; L116-V119 HydrophobicContact CD1-CB 4.44Å; L116-V119 HydrophobicContact CD1-CG1 4.45Å; L116-V119 WeakPolarHBondContact O-CG2 3.49Å
117G96.6Very high95.5Very high17 Ų1757.5 Ų57.518%0.17529%0.291CS..BIsolated β-bridgetrans72.3-128-17600000111.9T64 Q113 V119T64-G117 CarbonylContact O-C 3.6Å; T64-G117 WeakPolarHBondContact O-CA 3.05Å; Q113-G117 WeakPolarHBondContact O-CA 3.46Å; Q113-G117 PolarHBondContact O-N 2.87Å; Q113-G117 VanDerWaalsContact O-N 3.12Å; G117-V119 PolarHBondContact O-N 2.82Å
118Y98.1Very high95.4Very high55 Ų5557.3 Ų57.322%0.21630%0.297CS..SBendtrans-84.138.6-176.2-60.1-89.3000113.5T64 E66 L69 F110 Q152 N155T64-Y118 WeakPolarHBondContact O-CD2 3.22Å; T64-Y118 PolarHBondContact O-N 3.26Å; E66-Y118 HydrophobicContact CB-CE2 3.88Å; L69-Y118 HydrophobicContact CD2-CD1 4.07Å; L69-Y118 HydrophobicContact CD2-CG 3.92Å; F110-Y118 AromaticContact CE1-CD1 3.88Å; F110-Y118 HydrophobicContact CE1-CD1 3.88Å; F110-Y118 HydrophobicContact CZ-CD1 4.34Å; Y118-Q152 HydrophobicContact CD1-CG 4.08Å; Y118-Q152 HydrophobicContact CE1-CG 4.11Å; Y118-N155 PolarHBondContact O-N 3.08Å
119V97.9Very high95.5Very high4 Ų457.9 Ų57.92%0.02430%0.301CS..BIsolated β-bridgetrans-94.3132.7172.6-177.20000108.5L61 R62 T64 I111 L116 G117 N155L61-V119 HydrophobicContact CB-CG1 4.5Å; L61-V119 HydrophobicContact CD1-CG1 4.24Å; R62-V119 WeakPolarHBondContact O-CG2 3.36Å; T64-V119 WeakPolarHBondContact OG1-CG2 3.5Å; I111-V119 HydrophobicContact CD1-CG1 4.09Å; I111-V119 PolarHBondContact N-O 2.97Å; I111-V119 VanDerWaalsContact N-O 3.16Å; L116-V119 HydrophobicContact CB-CB 3.85Å; L116-V119 HydrophobicContact CB-CG2 3.89Å; L116-V119 HydrophobicContact CD1-CB 4.44Å; L116-V119 HydrophobicContact CD1-CG1 4.45Å; L116-V119 WeakPolarHBondContact O-CG2 3.49Å; G117-V119 PolarHBondContact O-N 2.82Å; V119-N155 WeakPolarHBondContact CA-O 3.31Å
120G96.5Very high95.5Very high3 Ų355 Ų553%0.03128%0.283CS..EExtended strand (participates in β ladder)trans-130.1168.5-176.500000114.7T109 N155 I156T109-G120 CarbonylContact O-C 3.59Å; T109-G120 WeakPolarHBondContact O-CA 3.49Å; G120-N155 PolarHBondContact N-O 3.23Å; G120-I156 WeakPolarHBondContact O-CD1 3.25Å
121E94.8Very high95.5Very high103 Ų10356 Ų5648%0.48129%0.289SS..EExtended strand (participates in β ladder)trans-117.2152.3169.261.8-177165.400109.9G108 T109 I111G108-E121 CarbonylContact C-O 3.49Å; G108-E121 WeakPolarHBondContact CA-O 3.26Å; T109-E121 HydrophobicContact CG2-CG 3.66Å; T109-E121 WeakPolarHBondContact CG2-OE1 3.22Å; T109-E121 PolarHBondContact N-O 3.23Å; T109-E121 PolarHBondContact O-N 2.88Å; I111-E121 HydrophobicContact CD1-CB 4.23Å; I111-E121 HydrophobicContact CG1-CB 3.88Å; I111-E121 HydrophobicContact CG1-CG 4.15Å
122I95.2Very high95.7Very high22 Ų2254.2 Ų54.211%0.11329%0.288CS..EExtended strand (participates in β ladder)trans-83.1124.8-177-62.7169000109.1I106 Q107 I125 I156 K164I106-I122 HydrophobicContact CG2-CD1 4.07Å; I106-I122 HydrophobicContact CG2-CG1 3.87Å; I106-I122 HydrophobicContact CG2-CG2 4.49Å; Q107-I122 WeakPolarHBondContact O-CA 3.29Å; I122-I125 HydrophobicContact CD1-CD1 4.31Å; I122-I125 HydrophobicContact CG2-CD1 3.7Å; I122-I125 HydrophobicContact CG2-CG1 3.92Å; I122-I156 HydrophobicContact CD1-CG2 3.87Å; I122-I156 HydrophobicContact CG1-CG2 3.79Å; I122-K164 HydrophobicContact CB-CB 4.39Å; I122-K164 HydrophobicContact CB-CG 4.08Å; I122-K164 HydrophobicContact CD1-CB 3.84Å; I122-K164 HydrophobicContact CD1-CG 4.11Å; I122-K164 HydrophobicContact CG2-CB 4.08Å; I122-K164 HydrophobicContact CG2-CD 4.47Å; I122-K164 HydrophobicContact CG2-CG 4.14Å
123T92.9Very high95.9Very high93 Ų9352.5 Ų52.557%0.57128%0.28SS*.EExtended strand (participates in β ladder)trans-95.8-35173.754.70000111.6Q107 T109Q107-T123 PolarHBondContact O-N 2.96Å; Q107-T123 PolarHBondContact O-OG1 3.04Å; T109-T123 HydrophobicContact CG2-CG2 3.85Å
124E93.8Very high96.1Very high109 Ų10947.6 Ų47.651%0.50926%0.257SS..EExtended strand (participates in β ladder)trans-151.9144-175.9-177.3175.3173.100111Q107Q107-E124 HydrophobicContact CB-CB 4.21Å; Q107-E124 PolarHBondContact N-O 2.96Å; Q107-E124 PolarHBondContact O-N 2.69Å; Q107-E124 PolarHBondContact OE1-OE2 2.95Å
125I95.7Very high96.2Very high17 Ų1745.5 Ų45.59%0.08725%0.247CC..EExtended strand (participates in β ladder)trans-115.6121169.7-63.6-65.2000108M105 I106 I122 P127 K164 I165 A168M105-I125 WeakPolarHBondContact O-CA 3.4Å; I106-I125 HydrophobicContact CB-CD1 4.26Å; I106-I125 HydrophobicContact CG1-CD1 3.89Å; I106-I125 HydrophobicContact CG2-CD1 4.05Å; I122-I125 HydrophobicContact CD1-CD1 4.31Å; I122-I125 HydrophobicContact CG2-CD1 3.7Å; I122-I125 HydrophobicContact CG2-CG1 3.92Å; I125-P127 WeakPolarHBondContact O-CD 3.14Å; I125-K164 HydrophobicContact CD1-CB 4.42Å; I125-K164 HydrophobicContact CG1-CB 4.04Å; I125-I165 HydrophobicContact CD1-CG1 4.04Å; I125-I165 HydrophobicContact CG1-CG1 4.46Å; I125-I165 HydrophobicContact CG2-CG1 4.36Å; I125-A168 HydrophobicContact CB-CB 3.59Å; I125-A168 HydrophobicContact CG1-CB 4.23Å; I125-A168 HydrophobicContact CG2-CB 3.66Å
126N96.4Very high96.2Very high41 Ų4146.1 Ų46.122%0.21925%0.25CC..  trans-87.4112.1167.5176.211.8000109.1D103 M105 A128D103-N126 PolarHBondContact O-ND2 2.85Å; M105-N126 PolarHBondContact O-N 2.81Å; N126-A128 VanDerWaalsContact C-N 3.29Å; N126-A128 PolarHBondContact O-N 2.92Å; N126-A128 WeakPolarHBondContact OD1-CB 2.8Å; N126-A128 PolarHBondContact OD1-N 3.13Å; N126-A128 VanDerWaalsContact OD1-N 3.13Å
127P95.9Very high96.1Very high35 Ų3552.1 Ų52.123%0.22728%0.282CS..  trans-76.6-12.8-175.132.3-36.7000113.8I125 A129 I130 E131 L169I125-P127 WeakPolarHBondContact O-CD 3.14Å; P127-A129 PolarHBondContact O-N 2.9Å; P127-I130 WeakPolarHBondContact O-CA 3.48Å; P127-I130 WeakPolarHBondContact O-CB 3.35Å; P127-I130 PolarHBondContact O-N 3.22Å; P127-E131 HydrophobicContact CB-CG 4.24Å; P127-E131 WeakPolarHBondContact O-CG 3.04Å; P127-E131 PolarHBondContact O-N 3.35Å; P127-L169 HydrophobicContact CB-CD2 3.57Å
128A97.1Very high96.2Very high43 Ų4356.2 Ų56.236%0.35529%0.292SS..Hα-helixtrans-55.7-44.6-166.900000114.2N126 I130 G132N126-A128 VanDerWaalsContact C-N 3.29Å; N126-A128 PolarHBondContact O-N 2.92Å; N126-A128 WeakPolarHBondContact OD1-CB 2.8Å; N126-A128 PolarHBondContact OD1-N 3.13Å; N126-A128 VanDerWaalsContact OD1-N 3.13Å; A128-I130 VanDerWaalsContact C-N 3.35Å; A128-G132 PolarHBondContact O-N 2.71Å
129A97.3Very high96.2Very high18 Ų1853.6 Ų53.615%0.14928%0.282CS..Hα-helixtrans-65.2-39.1176.900000112.2L98 S102 D103 P127 V133L98-A129 HydrophobicContact CD1-CB 4.48Å; S102-A129 WeakPolarHBondContact O-CB 3.47Å; D103-A129 HydrophobicContact CB-CB 4.1Å; P127-A129 PolarHBondContact O-N 2.9Å; A129-V133 WeakPolarHBondContact O-CG2 3.32Å; A129-V133 PolarHBondContact O-N 3.48Å
130I98.2Very high96.2Very high0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-66.7-50.9179.6-55.9175.2000109.3I35 L98 M105 P127 A128 G132 V133 L134 P140 I142 I165 L169I35-I130 HydrophobicContact CG1-CG2 4.03Å; L98-I130 HydrophobicContact CD1-CG1 4.21Å; M105-I130 HydrophobicContact CG-CD1 4.05Å; M105-I130 HydrophobicContact CG-CG1 4.08Å; M105-I130 HydrophobicContact SD-CD1 3.8Å; M105-I130 HydrophobicContact SD-CG1 3.47Å; M105-I130 WeakPolarHBondContact SD-CG1 3.25Å; P127-I130 WeakPolarHBondContact O-CA 3.48Å; P127-I130 WeakPolarHBondContact O-CB 3.35Å; P127-I130 PolarHBondContact O-N 3.22Å; A128-I130 VanDerWaalsContact C-N 3.35Å; I130-G132 VanDerWaalsContact C-N 3.29Å; I130-G132 PolarHBondContact O-N 3.29Å; I130-V133 PolarHBondContact O-N 3.16Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.32Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.19Å; I130-P140 HydrophobicContact CG2-CB 4.45Å; I130-P140 HydrophobicContact CG2-CG 3.88Å; I130-I142 HydrophobicContact CD1-CD1 3.71Å; I130-I142 HydrophobicContact CG1-CD1 3.95Å; I130-I165 HydrophobicContact CD1-CG1 4.42Å; I130-I165 HydrophobicContact CD1-CG2 4Å; I130-L169 HydrophobicContact CD1-CD1 4.25Å; I130-L169 HydrophobicContact CG2-CD1 3.84Å; I130-L169 HydrophobicContact CG2-CD2 4.49Å
131E97.2Very high96.3Very high68 Ų6853.3 Ų53.332%0.31828%0.28SS..Hα-helixtrans-61.1-38178.8-67.3-176152.600111.8K3 P127 V133 L134 H135 L169K3-E131 IonicContact NZ-OE1 3.54Å; K3-E131 PolarHBondContact NZ-OE1 3.48Å; P127-E131 HydrophobicContact CB-CG 4.24Å; P127-E131 WeakPolarHBondContact O-CG 3.04Å; P127-E131 PolarHBondContact O-N 3.35Å; E131-V133 VanDerWaalsContact C-N 3.28Å; E131-V133 PolarHBondContact O-N 2.83Å; E131-L134 PolarHBondContact O-N 2.85Å; E131-H135 WeakPolarHBondContact O-CB 3.27Å; E131-H135 PolarHBondContact O-CD2 3.05Å; E131-H135 PolarHBondContact O-N 3.25Å; E131-L169 HydrophobicContact CG-CD2 4.15Å
132G96.8Very high96.4Very high36 Ų3648.4 Ų48.437%0.37126%0.257SS..Hα-helixtrans-61.8-32.1174.200000114.1A128 I130A128-G132 PolarHBondContact O-N 2.71Å; I130-G132 VanDerWaalsContact C-N 3.29Å; I130-G132 PolarHBondContact O-N 3.29Å
133V97.7Very high96.6Very high9 Ų947.3 Ų47.36%0.05525%0.251CS..Hα-helixtrans-76-44.8172.7175.10000110.7I96 L98 A129 I130 E131 H135 K136 Y138 P140I96-V133 HydrophobicContact CB-CG1 3.96Å; I96-V133 HydrophobicContact CB-CG2 3.99Å; I96-V133 HydrophobicContact CD1-CG1 4.22Å; I96-V133 HydrophobicContact CD1-CG2 3.98Å; I96-V133 HydrophobicContact CG1-CG1 4.36Å; I96-V133 HydrophobicContact CG2-CG2 3.95Å; L98-V133 HydrophobicContact CD1-CG2 3.99Å; L98-V133 HydrophobicContact CD2-CG2 4.22Å; L98-V133 HydrophobicContact CG-CG2 4.37Å; A129-V133 WeakPolarHBondContact O-CG2 3.32Å; A129-V133 PolarHBondContact O-N 3.48Å; I130-V133 PolarHBondContact O-N 3.16Å; E131-V133 VanDerWaalsContact C-N 3.28Å; E131-V133 PolarHBondContact O-N 2.83Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 3.15Å; V133-K136 WeakPolarHBondContact O-CB 3.44Å; V133-K136 PolarHBondContact O-N 2.88Å; V133-Y138 PolarHBondContact O-N 3.02Å; V133-P140 HydrophobicContact CB-CB 4.3Å; V133-P140 HydrophobicContact CG1-CB 3.99Å; V133-P140 HydrophobicContact CG1-CG 4.31Å
134L97Very high96.8Very high5 Ų543.1 Ų43.13%0.02623%0.226CC..Hα-helixtrans-61-40179.2-68.3177.9000112.3K3 E33 I35 I130 E131 K136 N137 P140K3-L134 HydrophobicContact CD-CD1 4.49Å; E33-L134 HydrophobicContact CB-CD1 4.33Å; E33-L134 HydrophobicContact CB-CD2 4.02Å; I35-L134 HydrophobicContact CD1-CD1 3.91Å; I35-L134 HydrophobicContact CD1-CD2 4.22Å; I35-L134 HydrophobicContact CG1-CD1 4.09Å; I35-L134 HydrophobicContact CG1-CD2 4.16Å; I130-L134 HydrophobicContact CG2-CD1 4.03Å; I130-L134 HydrophobicContact CG2-CG 4.32Å; I130-L134 WeakPolarHBondContact O-CG 3.49Å; I130-L134 PolarHBondContact O-N 3.19Å; E131-L134 PolarHBondContact O-N 2.85Å; L134-K136 PolarHBondContact O-N 3.34Å; L134-N137 WeakPolarHBondContact O-CA 3.42Å; L134-N137 PolarHBondContact O-N 2.96Å; L134-P140 HydrophobicContact CD2-CG 4Å; L134-P140 HydrophobicContact CG-CG 4.34Å
135H94.9Very high97Very high147 Ų14738 Ų3868%0.68120%0.201SC*.THydrogen-bonded Turntrans-59.4-21175.3-75.1-166.8000113.8E131 V133 N137E131-H135 WeakPolarHBondContact O-CB 3.27Å; E131-H135 PolarHBondContact O-CD2 3.05Å; E131-H135 PolarHBondContact O-N 3.25Å; V133-H135 VanDerWaalsContact C-N 3.33Å; V133-H135 PolarHBondContact O-N 3.15Å; H135-N137 VanDerWaalsContact C-N 3.3Å
136K94.9Very high97.1Very high138 Ų13837.1 Ų37.160%0.620%0.197SC*.THydrogen-bonded Turntrans-91.28174.4-64.3179.7-178174.80112.7V133 L134 Y138V133-K136 WeakPolarHBondContact O-CB 3.44Å; V133-K136 PolarHBondContact O-N 2.88Å; L134-K136 PolarHBondContact O-N 3.34Å; K136-Y138 HydrophobicContact CB-CD2 4.42Å; K136-Y138 HydrophobicContact CB-CG 4.33Å; K136-Y138 WeakPolarHBondContact O-CD1 3.48Å; K136-Y138 PolarHBondContact O-N 2.8Å
137N93.8Very high97.1Very high132 Ų13236 Ų3671%0.70619%0.191SC*.THydrogen-bonded Turntrans56.129.7-170.9-60.4-47.9000113L134 H135L134-N137 WeakPolarHBondContact O-CA 3.42Å; L134-N137 PolarHBondContact O-N 2.96Å; H135-N137 VanDerWaalsContact C-N 3.3Å
138Y97.7Very high97.2Very high102 Ų10235.1 Ų35.140%0.419%0.185SC..  trans-100153175.6-71.4-0.9000110.4G94 I96 V133 K136 P140G94-Y138 CarbonylContact O-C 3.53Å; G94-Y138 VanDerWaalsContact O-CA 3.26Å; G94-Y138 WeakPolarHBondContact O-CA 3.3Å; G94-Y138 WeakPolarHBondContact O-CB 3.39Å; I96-Y138 HydrophobicContact CD1-CD2 3.64Å; I96-Y138 HydrophobicContact CD1-CE2 4.31Å; I96-Y138 HydrophobicContact CG1-CD2 3.84Å; V133-Y138 PolarHBondContact O-N 3.02Å; K136-Y138 HydrophobicContact CB-CD2 4.42Å; K136-Y138 HydrophobicContact CB-CG 4.33Å; K136-Y138 WeakPolarHBondContact O-CD1 3.48Å; K136-Y138 PolarHBondContact O-N 2.8Å; Y138-P140 VanDerWaalsContact O-CD 3.24Å; Y138-P140 WeakPolarHBondContact O-CD 3.35Å
139I98.3Very high97Very high1 Ų138.7 Ų38.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-91.8111.3178.4-57.1178.8000108.3I24 I34 I36 F88 F93 G94 T95 I96 I141I24-I139 HydrophobicContact CG2-CD1 3.72Å; I34-I139 HydrophobicContact CB-CD1 4.45Å; I34-I139 HydrophobicContact CB-CG1 4.38Å; I34-I139 HydrophobicContact CB-CG2 4.5Å; I34-I139 HydrophobicContact CG2-CG2 4.33Å; I36-I139 HydrophobicContact CD1-CG2 4.5Å; I36-I139 HydrophobicContact CG1-CG2 3.6Å; F88-I139 HydrophobicContact CD1-CD1 3.96Å; F88-I139 HydrophobicContact CE1-CD1 3.8Å; F88-I139 HydrophobicContact CE1-CG2 4.33Å; F93-I139 HydrophobicContact CB-CD1 4.19Å; F93-I139 HydrophobicContact CD1-CD1 3.78Å; F93-I139 HydrophobicContact CE1-CD1 4.5Å; F93-I139 HydrophobicContact CG-CD1 4.13Å; G94-I139 PolarHBondContact O-N 2.93Å; T95-I139 VanDerWaalsContact CA-O 3.27Å; T95-I139 WeakPolarHBondContact CA-O 3.44Å; T95-I139 HydrophobicContact CG2-CB 4.25Å; I96-I139 PolarHBondContact N-O 2.85Å; I96-I139 VanDerWaalsContact N-O 3.14Å; I139-I141 HydrophobicContact CG2-CD1 3.88Å; I139-I141 PolarHBondContact O-N 2.93Å
140P98.4Very high96.8Very high0 Ų044.3 Ų44.30%024%0.242CC..EExtended strand (participates in β ladder)trans-67.3128.1170.924.4-31000110.4I34 I35 I36 I96 L98 I130 V133 L134 Y138 I142I34-P140 WeakPolarHBondContact O-CD 3.5Å; I35-P140 HydrophobicContact CB-CG 4.21Å; I35-P140 HydrophobicContact CG1-CG 3.91Å; I35-P140 HydrophobicContact CG2-CG 4.06Å; I36-P140 PolarHBondContact N-O 2.84Å; I96-P140 WeakPolarHBondContact O-CA 3.46Å; L98-P140 HydrophobicContact CD1-CB 3.77Å; L98-P140 HydrophobicContact CG-CB 4.41Å; I130-P140 HydrophobicContact CG2-CB 4.45Å; I130-P140 HydrophobicContact CG2-CG 3.88Å; V133-P140 HydrophobicContact CB-CB 4.3Å; V133-P140 HydrophobicContact CG1-CB 3.99Å; V133-P140 HydrophobicContact CG1-CG 4.31Å; L134-P140 HydrophobicContact CD2-CG 4Å; L134-P140 HydrophobicContact CG-CG 4.34Å; Y138-P140 VanDerWaalsContact O-CD 3.24Å; Y138-P140 WeakPolarHBondContact O-CD 3.35Å; P140-I142 HydrophobicContact CB-CD1 4.43Å; P140-I142 HydrophobicContact CB-CG1 4.33Å
141I97.8Very high96.6Very high0 Ų046.2 Ų46.20%026%0.261CS..EExtended strand (participates in β ladder)trans-107.1107.4173.9-50.4-57000107.5I36 Q81 I84 T85 F88 T95 I96 G97 L98 I139I36-I141 HydrophobicContact CB-CD1 3.58Å; I36-I141 HydrophobicContact CG1-CD1 3.65Å; I36-I141 HydrophobicContact CG2-CD1 4.14Å; I36-I141 CarbonylContact O-C 3.56Å; I36-I141 WeakPolarHBondContact O-CA 3.43Å; Q81-I141 HydrophobicContact CG-CG2 4.13Å; Q81-I141 PolarHBondContact NE2-O 2.78Å; I84-I141 HydrophobicContact CB-CG2 4.29Å; I84-I141 HydrophobicContact CG2-CD1 4.22Å; I84-I141 HydrophobicContact CG2-CG1 4.47Å; I84-I141 HydrophobicContact CG2-CG2 3.84Å; T85-I141 HydrophobicContact CG2-CB 4.03Å; T85-I141 HydrophobicContact CG2-CG1 3.71Å; T85-I141 HydrophobicContact CG2-CG2 4.4Å; F88-I141 HydrophobicContact CE2-CD1 4.42Å; T95-I141 HydrophobicContact CG2-CD1 4.18Å; T95-I141 HydrophobicContact CG2-CG1 4.17Å; I96-I141 PolarHBondContact O-N 3.37Å; G97-I141 WeakPolarHBondContact CA-O 3.48Å; L98-I141 PolarHBondContact N-O 3.12Å; I139-I141 HydrophobicContact CG2-CD1 3.88Å; I139-I141 PolarHBondContact O-N 2.93Å
142I98.4Very high96.6Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-105.9127.4-166.2-63.1171.2000111.3I35 I36 V37 H38 L98 M105 I106 I130 P140 T161 I165I35-I142 HydrophobicContact CG2-CD1 3.65Å; I36-I142 PolarHBondContact O-N 3.13Å; V37-I142 HydrophobicContact CG2-CB 4.26Å; H38-I142 PolarHBondContact CD2-O 2.94Å; H38-I142 PolarHBondContact N-O 3.38Å; H38-I142 VanDerWaalsContact N-O 3.09Å; L98-I142 HydrophobicContact CB-CG1 4.09Å; L98-I142 WeakPolarHBondContact O-CA 3.49Å; M105-I142 HydrophobicContact CE-CB 4.38Å; M105-I142 HydrophobicContact CE-CD1 4.34Å; M105-I142 HydrophobicContact CE-CG1 4.14Å; M105-I142 HydrophobicContact CE-CG2 3.46Å; M105-I142 VanDerWaalsContact CE-CG2 3.46Å; M105-I142 HydrophobicContact SD-CD1 4.24Å; M105-I142 HydrophobicContact SD-CG1 4.44Å; I106-I142 HydrophobicContact CD1-CG2 4.05Å; I130-I142 HydrophobicContact CD1-CD1 3.71Å; I130-I142 HydrophobicContact CG1-CD1 3.95Å; P140-I142 HydrophobicContact CB-CD1 4.43Å; P140-I142 HydrophobicContact CB-CG1 4.33Å; I142-T161 HydrophobicContact CG2-CG2 4.49Å; I142-I165 HydrophobicContact CB-CD1 4.48Å; I142-I165 HydrophobicContact CD1-CD1 3.75Å; I142-I165 HydrophobicContact CG2-CD1 3.84Å
143A97.9Very high96.7Very high0 Ų046.7 Ų46.70%025%0.252CS..  trans-83.1136.1172.300000111.6H38 L76 M77 L98 N99 L145H38-A143 WeakPolarHBondContact NE2-CA 3.46Å; L76-A143 HydrophobicContact CB-CB 4.39Å; M77-A143 HydrophobicContact CG-CB 4.16Å; L98-A143 PolarHBondContact O-N 3.25Å; N99-A143 HydrophobicContact CB-CB 4.16Å; A143-L145 VanDerWaalsContact C-N 3.27Å; A143-L145 PolarHBondContact O-N 3.48Å
144P96.7Very high96.7Very high5 Ų546.2 Ų46.23%0.03225%0.249CC..  trans-8371.1-174.535.9-38.6000111H38 L76 I156 A158 T161H38-P144 WeakPolarHBondContact O-CD 3.41Å; H38-P144 WeakPolarHBondContact O-CG 3.29Å; L76-P144 HydrophobicContact CD1-CG 4.03Å; L76-P144 HydrophobicContact CD2-CG 4.35Å; P144-I156 PolarHBondContact O-N 2.79Å; P144-A158 HydrophobicContact CB-CB 3.86Å; P144-A158 HydrophobicContact CG-CB 3.87Å; P144-T161 HydrophobicContact CB-CG2 4.33Å; P144-T161 WeakPolarHBondContact CB-OG1 3.35Å
145L98.1Very high96.8Very high0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-126.6151.8176.1-70.2166.9000107.9T72 Q73 L76 M77 A100 I106 A143 W153 L154T72-L145 HydrophobicContact CG2-CD2 4.05Å; Q73-L145 HydrophobicContact CG-CD1 4.1Å; Q73-L145 HydrophobicContact CG-CD2 4.42Å; L76-L145 HydrophobicContact CD1-CD1 4.42Å; L76-L145 HydrophobicContact CD1-CD2 4.17Å; L76-L145 HydrophobicContact CD1-CG 4.05Å; M77-L145 HydrophobicContact CE-CD1 3.92Å; M77-L145 HydrophobicContact CG-CD1 4.15Å; M77-L145 HydrophobicContact SD-CD1 3.94Å; A100-L145 HydrophobicContact CB-CB 4.38Å; A100-L145 WeakPolarHBondContact CB-O 3.43Å; I106-L145 WeakPolarHBondContact CB-O 3.39Å; I106-L145 VanDerWaalsContact CD1-O 3.29Å; I106-L145 WeakPolarHBondContact CD1-O 3.12Å; I106-L145 WeakPolarHBondContact CG2-O 3.44Å; A143-L145 VanDerWaalsContact C-N 3.27Å; A143-L145 PolarHBondContact O-N 3.48Å; L145-W153 HydrophobicContact CB-CE3 3.95Å; L145-W153 HydrophobicContact CB-CZ3 3.81Å; L145-W153 HydrophobicContact CD1-CE3 4.13Å; L145-W153 HydrophobicContact CD1-CZ3 3.8Å; L145-W153 HydrophobicContact CG-CE3 4.46Å; L145-W153 HydrophobicContact CG-CZ3 4.39Å; L145-L154 WeakPolarHBondContact CD2-O 3.37Å
146G97.9Very high96.8Very high0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-127169.2174.700000111.5I106 W153 L154 I156I106-G146 WeakPolarHBondContact O-CA 3.49Å; G146-W153 CarbonylContact O-C 3.49Å; G146-W153 WeakPolarHBondContact O-CA 3.47Å; G146-L154 PolarHBondContact N-O 2.83Å; G146-L154 PolarHBondContact O-N 3.43Å; G146-I156 VanDerWaalsContact N-CG1 3.34Å
147M97.7Very high96.7Very high17 Ų1735.9 Ų35.98%0.08421%0.206CC..EExtended strand (participates in β ladder)trans-131.5141.5169-65.8-174.8-49.900110.8A100 I106 Q107 G108 Q152 W153A100-M147 HydrophobicContact CB-CG 3.85Å; A100-M147 WeakPolarHBondContact O-CE 3.43Å; I106-M147 PolarHBondContact O-N 3.02Å; Q107-M147 CarbonylContact C-O 3.43Å; Q107-M147 VanDerWaalsContact CA-O 3.23Å; Q107-M147 WeakPolarHBondContact CA-O 3.35Å; G108-M147 PolarHBondContact N-O 3.38Å; M147-Q152 CarbonylContact C-O 3.48Å; M147-Q152 VanDerWaalsContact CA-O 3.31Å; M147-Q152 WeakPolarHBondContact CA-O 3.44Å; M147-W153 HydrophobicContact CG-CD2 4.13Å; M147-W153 HydrophobicContact CG-CE3 4.31Å; M147-W153 HydrophobicContact CG-CG 4.46Å; M147-W153 HydrophobicContact SD-CD2 4.45Å; M147-W153 HydrophobicContact SD-CZ2 4.13Å
148T97Very high96.7Very high17 Ų1730.1 Ų30.110%0.10418%0.176CC..  trans-68.8166.1164.558.30000111.1G108 F110 N150 G151 Q152 L154G108-T148 VanDerWaalsContact O-CA 3.29Å; G108-T148 WeakPolarHBondContact O-CA 3.49Å; F110-T148 HydrophobicContact CD2-CG2 4.35Å; F110-T148 HydrophobicContact CE2-CG2 3.89Å; F110-T148 HydrophobicContact CZ-CG2 4.44Å; T148-N150 WeakPolarHBondContact CB-OD1 3.31Å; T148-N150 PolarHBondContact O-N 2.89Å; T148-N150 PolarHBondContact OG1-OD1 3.49Å; T148-G151 PolarHBondContact O-N 3.28Å; T148-Q152 HydrophobicContact CG2-CB 4.25Å; T148-Q152 PolarHBondContact N-O 2.94Å; T148-Q152 WeakPolarHBondContact OG1-CA 3.24Å; T148-Q152 VanDerWaalsContact OG1-CB 3.28Å; T148-Q152 WeakPolarHBondContact OG1-CB 3.37Å; T148-Q152 PolarHBondContact OG1-N 3.48Å; T148-Q152 PolarHBondContact OG1-O 3.33Å; T148-L154 HydrophobicContact CG2-CD1 3.87Å; T148-L154 HydrophobicContact CG2-CD2 4.2Å; T148-L154 HydrophobicContact CG2-CG 4.18Å
149A92.6Very high96.3Very high118 Ų11825.7 Ų25.798%0.97516%0.16SC*.THydrogen-bonded Turntrans-57.4-22175.100000114.3
150N93.9Very high95.9Very high135 Ų13528.7 Ų28.772%0.72218%0.175SC*.THydrogen-bonded Turntrans-95.89.6175.570.1-8.4000113.9T148T148-N150 WeakPolarHBondContact CB-OD1 3.31Å; T148-N150 PolarHBondContact O-N 2.89Å; T148-N150 PolarHBondContact OG1-OD1 3.49Å
151G94.3Very high95.8Very high40 Ų4028.7 Ų28.741%0.41218%0.175SC..  trans82.213.5175.300000115.1T148 W153T148-G151 PolarHBondContact O-N 3.28Å; G151-W153 PolarHBondContact O-N 2.91Å
152Q97.5Very high95.6Very high63 Ų6328.7 Ų28.729%0.29418%0.175SC..  trans-76.3123.3172.3175.55764.800109.5F110 Y118 M147 T148F110-Q152 HydrophobicContact CZ-CG 3.84Å; Y118-Q152 HydrophobicContact CD1-CG 4.08Å; Y118-Q152 HydrophobicContact CE1-CG 4.11Å; M147-Q152 CarbonylContact C-O 3.48Å; M147-Q152 VanDerWaalsContact CA-O 3.31Å; M147-Q152 WeakPolarHBondContact CA-O 3.44Å; T148-Q152 HydrophobicContact CG2-CB 4.25Å; T148-Q152 PolarHBondContact N-O 2.94Å; T148-Q152 WeakPolarHBondContact OG1-CA 3.24Å; T148-Q152 VanDerWaalsContact OG1-CB 3.28Å; T148-Q152 WeakPolarHBondContact OG1-CB 3.37Å; T148-Q152 PolarHBondContact OG1-N 3.48Å; T148-Q152 PolarHBondContact OG1-O 3.33Å
153W98.2Very high95.3Very high51 Ų5128.9 Ų28.919%0.19318%0.177CC..EExtended strand (participates in β ladder)trans-68145.1176.7-7382.3000112L69 Q73 M77 A100 L145 G146 M147 G151L69-W153 HydrophobicContact CD1-CB 4.43Å; L69-W153 HydrophobicContact CD2-CB 3.96Å; L69-W153 WeakPolarHBondContact CD2-O 3.45Å; L69-W153 HydrophobicContact CG-CB 4.48Å; Q73-W153 VanDerWaalsContact NE2-CG 3.35Å; M77-W153 HydrophobicContact SD-CH2 4.36Å; A100-W153 HydrophobicContact CB-CE3 4.32Å; A100-W153 HydrophobicContact CB-CH2 4.27Å; A100-W153 HydrophobicContact CB-CZ3 3.76Å; L145-W153 HydrophobicContact CB-CE3 3.95Å; L145-W153 HydrophobicContact CB-CZ3 3.81Å; L145-W153 HydrophobicContact CD1-CE3 4.13Å; L145-W153 HydrophobicContact CD1-CZ3 3.8Å; L145-W153 HydrophobicContact CG-CE3 4.46Å; L145-W153 HydrophobicContact CG-CZ3 4.39Å; G146-W153 CarbonylContact O-C 3.49Å; G146-W153 WeakPolarHBondContact O-CA 3.47Å; M147-W153 HydrophobicContact CG-CD2 4.13Å; M147-W153 HydrophobicContact CG-CE3 4.31Å; M147-W153 HydrophobicContact CG-CG 4.46Å; M147-W153 HydrophobicContact SD-CD2 4.45Å; M147-W153 HydrophobicContact SD-CZ2 4.13Å; G151-W153 PolarHBondContact O-N 2.91Å
154L98.4Very high95Very high0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-127.8138.7-180-60.3170.3000109.7F110 L145 G146 T148 I156F110-L154 HydrophobicContact CD1-CD2 3.69Å; F110-L154 HydrophobicContact CE1-CD2 3.59Å; F110-L154 HydrophobicContact CE2-CD2 4.45Å; F110-L154 HydrophobicContact CG-CD2 4.19Å; F110-L154 HydrophobicContact CZ-CD2 4Å; L145-L154 WeakPolarHBondContact CD2-O 3.37Å; G146-L154 PolarHBondContact N-O 2.83Å; G146-L154 PolarHBondContact O-N 3.43Å; T148-L154 HydrophobicContact CG2-CD1 3.87Å; T148-L154 HydrophobicContact CG2-CD2 4.2Å; T148-L154 HydrophobicContact CG2-CG 4.18Å; L154-I156 HydrophobicContact CB-CD1 3.73Å; L154-I156 HydrophobicContact CB-CG1 4.34Å; L154-I156 HydrophobicContact CD1-CD1 4.42Å
155N97.9Very high95Very high20 Ų2031.7 Ų31.711%0.10719%0.188CC..EExtended strand (participates in β ladder)trans-80.8119.5165.2178.127.8000108.6T64 L69 Y118 V119 G120T64-N155 HydrophobicContact CG2-CB 3.94Å; T64-N155 PolarHBondContact OG1-ND2 3.23Å; L69-N155 HydrophobicContact CD1-CB 4.28Å; Y118-N155 PolarHBondContact O-N 3.08Å; V119-N155 WeakPolarHBondContact CA-O 3.31Å; G120-N155 PolarHBondContact N-O 3.23Å
156I96.1Very high94.7Very high7 Ų732.1 Ų32.14%0.03619%0.192CC..  trans-116.3146.9-176.9-51.2-63000109G120 I122 P144 G146 L154 A158 T161G120-I156 WeakPolarHBondContact O-CD1 3.25Å; I122-I156 HydrophobicContact CD1-CG2 3.87Å; I122-I156 HydrophobicContact CG1-CG2 3.79Å; P144-I156 PolarHBondContact O-N 2.79Å; G146-I156 VanDerWaalsContact N-CG1 3.34Å; L154-I156 HydrophobicContact CB-CD1 3.73Å; L154-I156 HydrophobicContact CB-CG1 4.34Å; L154-I156 HydrophobicContact CD1-CD1 4.42Å; I156-A158 PolarHBondContact O-N 3.41Å; I156-T161 WeakPolarHBondContact CG2-OG1 3.47Å
157N92.3Very high94.3Very high46 Ų4635.1 Ų35.125%0.24621%0.206CC..  trans-64.7135.8173.5-170.5-44.3000110.7D159 D160 T161N157-D159 WeakPolarHBondContact OD1-CB 3.45Å; N157-D159 PolarHBondContact OD1-N 3.01Å; N157-D160 HydrophobicContact CB-CB 4.07Å; N157-D160 VanDerWaalsContact CB-OD2 3.25Å; N157-D160 WeakPolarHBondContact CB-OD2 3.31Å; N157-D160 PolarHBondContact O-N 3.44Å; N157-T161 WeakPolarHBondContact O-CB 3.42Å; N157-T161 PolarHBondContact O-N 3.14Å; N157-T161 PolarHBondContact O-OG1 2.96Å
158A92.9Very high94Very high11 Ų1136.4 Ų36.49%0.09122%0.219CC..Hα-helixtrans-68.3-32.9-18000000113.7P144 I156 A162P144-A158 HydrophobicContact CB-CB 3.86Å; P144-A158 HydrophobicContact CG-CB 3.87Å; I156-A158 PolarHBondContact O-N 3.41Å; A158-A162 WeakPolarHBondContact O-CB 3.27Å; A158-A162 PolarHBondContact O-N 2.84Å
159D90.8Very high93.8Very high9 Ų935.8 Ų35.85%0.04822%0.216CC..Hα-helixtrans-69.2-43.4176.7-64.6-22.1000109.5K7 N157 T161 A162 C163 K214K7-D159 WeakPolarHBondContact CD-OD1 3.47Å; K7-D159 WeakPolarHBondContact CE-OD1 3.47Å; K7-D159 IonicContact NZ-OD1 2.85Å; K7-D159 PolarHBondContact NZ-OD1 3.27Å; K7-D159 IonicContact NZ-OD2 2.96Å; N157-D159 WeakPolarHBondContact OD1-CB 3.45Å; N157-D159 PolarHBondContact OD1-N 3.01Å; D159-T161 PolarHBondContact O-N 2.96Å; D159-A162 PolarHBondContact O-N 2.96Å; D159-C163 WeakPolarHBondContact O-CB 3.37Å; D159-C163 PolarHBondContact O-N 3.3Å; D159-K214 IonicContact OD1-NZ 3.28Å; D159-K214 PolarHBondContact OD1-NZ 2.83Å; D159-K214 VanDerWaalsContact OD2-CG 3.28Å; D159-K214 WeakPolarHBondContact OD2-CG 3.28Å; D159-K214 IonicContact OD2-NZ 3.23Å; D159-K214 PolarHBondContact OD2-NZ 3.37Å
160D90Very high93.7Very high63 Ų6337.7 Ų37.734%0.33720%0.204SC..Hα-helixtrans-65.6-38.8175.3-59.8-20.7000112.1N157 A162 C163 K164 S217N157-D160 HydrophobicContact CB-CB 4.07Å; N157-D160 VanDerWaalsContact CB-OD2 3.25Å; N157-D160 WeakPolarHBondContact CB-OD2 3.31Å; N157-D160 PolarHBondContact O-N 3.44Å; D160-A162 PolarHBondContact O-N 3.34Å; D160-C163 PolarHBondContact O-N 3.46Å; D160-K164 WeakPolarHBondContact O-CB 3.47Å; D160-K164 PolarHBondContact O-N 3.45Å; D160-S217 PolarHBondContact OD1-OG 2.86Å
161T94.8Very high93.6Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-60.2-46.1174.2-57.20000111.2V37 I106 I142 P144 I156 N157 D159 I165V37-T161 HydrophobicContact CG1-CG2 3.84Å; I106-T161 HydrophobicContact CD1-CG2 3.82Å; I142-T161 HydrophobicContact CG2-CG2 4.49Å; P144-T161 HydrophobicContact CB-CG2 4.33Å; P144-T161 WeakPolarHBondContact CB-OG1 3.35Å; I156-T161 WeakPolarHBondContact CG2-OG1 3.47Å; N157-T161 WeakPolarHBondContact O-CB 3.42Å; N157-T161 PolarHBondContact O-N 3.14Å; N157-T161 PolarHBondContact O-OG1 2.96Å; D159-T161 PolarHBondContact O-N 2.96Å; T161-I165 HydrophobicContact CG2-CD1 3.66Å; T161-I165 HydrophobicContact CG2-CG1 4.46Å; T161-I165 WeakPolarHBondContact O-CB 3.3Å; T161-I165 WeakPolarHBondContact O-CD1 3.48Å; T161-I165 VanDerWaalsContact O-CG1 3.24Å; T161-I165 WeakPolarHBondContact O-CG1 3.49Å; T161-I165 PolarHBondContact O-N 3.29Å
162A94.8Very high93.5Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-64.7-40.8177.900000112.3V5 K7 V37 A158 D159 D160 A166 L174 L176V5-A162 HydrophobicContact CG1-CB 4.19Å; K7-A162 HydrophobicContact CB-CB 3.71Å; K7-A162 HydrophobicContact CG-CB 4.01Å; V37-A162 HydrophobicContact CB-CB 3.98Å; V37-A162 HydrophobicContact CG1-CB 4.27Å; V37-A162 HydrophobicContact CG2-CB 4.06Å; A158-A162 WeakPolarHBondContact O-CB 3.27Å; A158-A162 PolarHBondContact O-N 2.84Å; D159-A162 PolarHBondContact O-N 2.96Å; D160-A162 PolarHBondContact O-N 3.34Å; A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.23Å; A162-A166 PolarHBondContact O-N 3.29Å; A162-L174 HydrophobicContact CB-CD1 3.9Å; A162-L176 HydrophobicContact CB-CD2 4.43Å
163C91.4Very high93.2Very high5 Ų532 Ų323%0.03417%0.172CC..Hα-helixtrans-59.8-53.7174.9172.90000111.8D159 D160 I165 A166 E167 L174 S217 A221D159-C163 WeakPolarHBondContact O-CB 3.37Å; D159-C163 PolarHBondContact O-N 3.3Å; D160-C163 PolarHBondContact O-N 3.46Å; C163-I165 VanDerWaalsContact C-N 3.33Å; C163-I165 PolarHBondContact O-N 2.94Å; C163-A166 WeakPolarHBondContact O-CB 3.29Å; C163-A166 PolarHBondContact O-N 2.98Å; C163-A166 VanDerWaalsContact O-N 3.14Å; C163-E167 WeakPolarHBondContact O-CB 3.35Å; C163-E167 PolarHBondContact O-N 3.5Å; C163-L174 HydrophobicContact CB-CD2 4.4Å; C163-S217 PolarHBondContact SG-O 2.88Å; C163-A221 HydrophobicContact CB-CB 4.38Å; C163-A221 VanDerWaalsContact SG-CA 3.56Å; C163-A221 VanDerWaalsContact SG-CB 3.52Å; C163-A221 PolarHBondContact SG-N 3.34Å; C163-A221 VanDerWaalsContact SG-N 3.42Å
164K92.2Very high92.9Very high63 Ų6331.7 Ų31.727%0.27417%0.173SC..Hα-helixtrans-66.7-33.4-177.2-74.7-75.3170.7-1600113.3I122 I125 D160 E167 A168I122-K164 HydrophobicContact CB-CB 4.39Å; I122-K164 HydrophobicContact CB-CG 4.08Å; I122-K164 HydrophobicContact CD1-CB 3.84Å; I122-K164 HydrophobicContact CD1-CG 4.11Å; I122-K164 HydrophobicContact CG2-CB 4.08Å; I122-K164 HydrophobicContact CG2-CD 4.47Å; I122-K164 HydrophobicContact CG2-CG 4.14Å; I125-K164 HydrophobicContact CD1-CB 4.42Å; I125-K164 HydrophobicContact CG1-CB 4.04Å; D160-K164 WeakPolarHBondContact O-CB 3.47Å; D160-K164 PolarHBondContact O-N 3.45Å; K164-E167 IonicContact NZ-OE1 2.85Å; K164-E167 IonicContact NZ-OE2 3.93Å; K164-E167 PolarHBondContact NZ-OE2 3.26Å; K164-A168 VanDerWaalsContact O-CB 3.31Å; K164-A168 WeakPolarHBondContact O-CB 3.31Å; K164-A168 PolarHBondContact O-N 3.32Å
165I95.2Very high92.6Very high0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-68.7-42.6172.2-70.8170.2000111V5 I35 V37 I106 I125 I130 I142 T161 C163 E167 A168 L169V5-I165 HydrophobicContact CG2-CG2 4.27Å; I35-I165 HydrophobicContact CG2-CG2 4.18Å; V37-I165 HydrophobicContact CG2-CD1 3.87Å; I106-I165 HydrophobicContact CD1-CD1 4.47Å; I125-I165 HydrophobicContact CD1-CG1 4.04Å; I125-I165 HydrophobicContact CG1-CG1 4.46Å; I125-I165 HydrophobicContact CG2-CG1 4.36Å; I130-I165 HydrophobicContact CD1-CG1 4.42Å; I130-I165 HydrophobicContact CD1-CG2 4Å; I142-I165 HydrophobicContact CB-CD1 4.48Å; I142-I165 HydrophobicContact CD1-CD1 3.75Å; I142-I165 HydrophobicContact CG2-CD1 3.84Å; T161-I165 HydrophobicContact CG2-CD1 3.66Å; T161-I165 HydrophobicContact CG2-CG1 4.46Å; T161-I165 WeakPolarHBondContact O-CB 3.3Å; T161-I165 WeakPolarHBondContact O-CD1 3.48Å; T161-I165 VanDerWaalsContact O-CG1 3.24Å; T161-I165 WeakPolarHBondContact O-CG1 3.49Å; T161-I165 PolarHBondContact O-N 3.29Å; C163-I165 VanDerWaalsContact C-N 3.33Å; C163-I165 PolarHBondContact O-N 2.94Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.22Å; I165-A168 PolarHBondContact O-N 3.49Å; I165-L169 HydrophobicContact CG2-CD1 3.57Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.9Å
166A93.4Very high92.2Very high9 Ų937.4 Ų37.47%0.07420%0.197CC..Hα-helixtrans-61.6-40.8175.600000111.6V5 A162 C163 E170 A171 L174V5-A166 HydrophobicContact CB-CB 4.06Å; V5-A166 HydrophobicContact CG2-CB 3.8Å; A162-A166 VanDerWaalsContact O-CB 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.23Å; A162-A166 PolarHBondContact O-N 3.29Å; C163-A166 WeakPolarHBondContact O-CB 3.29Å; C163-A166 PolarHBondContact O-N 2.98Å; C163-A166 VanDerWaalsContact O-N 3.14Å; A166-E170 PolarHBondContact O-N 2.93Å; A166-A171 HydrophobicContact CB-CB 3.91Å; A166-A171 WeakPolarHBondContact O-CB 3.49Å; A166-A171 PolarHBondContact O-N 2.97Å; A166-L174 HydrophobicContact CB-CB 4.27Å; A166-L174 HydrophobicContact CB-CD1 4.34Å
167E89.5Confident91.8Very high63 Ų6339.9 Ų39.929%0.29421%0.21SC..Hα-helixtrans-60.9-55.8174.4-173.4-175.6154.500111.2C163 K164 I165 L169 E170 N224C163-E167 WeakPolarHBondContact O-CB 3.35Å; C163-E167 PolarHBondContact O-N 3.5Å; K164-E167 IonicContact NZ-OE1 2.85Å; K164-E167 IonicContact NZ-OE2 3.93Å; K164-E167 PolarHBondContact NZ-OE2 3.26Å; I165-E167 VanDerWaalsContact C-N 3.3Å; I165-E167 PolarHBondContact O-N 3.22Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 2.9Å; E167-E170 PolarHBondContact O-N 3.31Å; E167-E170 VanDerWaalsContact O-N 3.08Å; E167-N224 VanDerWaalsContact CD-CB 3.46Å; E167-N224 HydrophobicContact CG-CB 4.04Å; E167-N224 PolarHBondContact OE2-ND2 3.09Å; E167-N224 VanDerWaalsContact OE2-ND2 3.16Å
168A91.4Very high91.2Very high44 Ų4440.1 Ų40.136%0.36421%0.213SC..Hα-helixtrans-65-28.3-175.600000114.1I125 K164 I165I125-A168 HydrophobicContact CB-CB 3.59Å; I125-A168 HydrophobicContact CG1-CB 4.23Å; I125-A168 HydrophobicContact CG2-CB 3.66Å; K164-A168 VanDerWaalsContact O-CB 3.31Å; K164-A168 WeakPolarHBondContact O-CB 3.31Å; K164-A168 PolarHBondContact O-N 3.32Å; I165-A168 PolarHBondContact O-N 3.49Å
169L92.8Very high90.5Very high5 Ų547.2 Ų47.23%0.02625%0.249CC..THydrogen-bonded Turntrans-91.3-2177.7-66.8174.2000113.5K3 I35 P127 I130 E131 I165 E167 A171K3-L169 HydrophobicContact CD-CB 3.81Å; K3-L169 HydrophobicContact CD-CD2 4.5Å; K3-L169 WeakPolarHBondContact CD-O 3.48Å; K3-L169 PolarHBondContact NZ-O 3.32Å; I35-L169 HydrophobicContact CD1-CD1 4.23Å; I35-L169 HydrophobicContact CG1-CD1 4.11Å; P127-L169 HydrophobicContact CB-CD2 3.57Å; I130-L169 HydrophobicContact CD1-CD1 4.25Å; I130-L169 HydrophobicContact CG2-CD1 3.84Å; I130-L169 HydrophobicContact CG2-CD2 4.49Å; E131-L169 HydrophobicContact CG-CD2 4.15Å; I165-L169 HydrophobicContact CG2-CD1 3.57Å; I165-L169 HydrophobicContact CG2-CG 4.35Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.28Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.9Å; E167-L169 VanDerWaalsContact C-N 3.27Å; E167-L169 PolarHBondContact O-N 2.9Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 3.06Å
170E89.8Confident90Very high157 Ų15749.5 Ų49.573%0.73426%0.263SS*.THydrogen-bonded Turntrans52.743.9-170.3-58.9-178.5-168.900112.4A166 E167A166-E170 PolarHBondContact O-N 2.93Å; E167-E170 PolarHBondContact O-N 3.31Å; E167-E170 VanDerWaalsContact O-N 3.08Å
171A92.2Very high89.5Confident8 Ų851.4 Ų51.47%0.06628%0.279CS..  trans-59.1141.3-177.300000111.9K3 V5 A166 L169 A173 R225K3-A171 HydrophobicContact CB-CB 4.3Å; K3-A171 CarbonylContact O-C 3.5Å; K3-A171 WeakPolarHBondContact O-CA 3.36Å; V5-A171 HydrophobicContact CG2-CB 3.88Å; A166-A171 HydrophobicContact CB-CB 3.91Å; A166-A171 WeakPolarHBondContact O-CB 3.49Å; A166-A171 PolarHBondContact O-N 2.97Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 3.06Å; A171-A173 VanDerWaalsContact C-N 3.34Å; A171-R225 PolarHBondContact O-NH1 2.81Å
172D91.1Very high89.1Confident82 Ų8252.4 Ų52.444%0.43929%0.289SS..SBendtrans-75.1-29.3179.2-82.9-42.3000112.2G2 K3 R225G2-D172 WeakPolarHBondContact CA-OD2 3.32Å; K3-D172 PolarHBondContact O-N 3.18Å; D172-R225 PolarHBondContact O-NH1 2.87Å; D172-R225 IonicContact OD1-CZ 2.75Å; D172-R225 IonicContact OD1-NH2 2.69Å; D172-R225 PolarHBondContact OD1-NH2 2.94Å
173A92.1Very high88.8Confident29 Ų2952.9 Ų52.924%0.2429%0.292CS..EExtended strand (participates in β ladder)trans-146.7144.417700000112.2I4 V5 A171 Y175I4-A173 WeakPolarHBondContact CA-O 3.36Å; I4-A173 HydrophobicContact CG1-CB 4.48Å; I4-A173 HydrophobicContact CG2-CB 4.49Å; V5-A173 PolarHBondContact N-O 2.93Å; A171-A173 VanDerWaalsContact C-N 3.34Å; A173-Y175 HydrophobicContact CB-CD2 4.13Å; A173-Y175 HydrophobicContact CB-CE2 3.51Å
174L92.4Very high88.7Confident44 Ų4456.1 Ų56.123%0.2331%0.306CS..EExtended strand (participates in β ladder)trans-117.4120.5169.1172.363000108.4V5 A162 C163 A166 L176 A221V5-L174 HydrophobicContact CB-CD1 3.94Å; V5-L174 HydrophobicContact CG1-CD1 3.82Å; V5-L174 CarbonylContact O-C 3.58Å; V5-L174 WeakPolarHBondContact O-CA 3.41Å; A162-L174 HydrophobicContact CB-CD1 3.9Å; C163-L174 HydrophobicContact CB-CD2 4.4Å; A166-L174 HydrophobicContact CB-CB 4.27Å; A166-L174 HydrophobicContact CB-CD1 4.34Å; L174-L176 HydrophobicContact CD1-CD2 3.97Å; L174-L176 HydrophobicContact CD2-CD2 4.23Å; L174-L176 HydrophobicContact CG-CD2 4.06Å; L174-L176 HydrophobicContact CG-CG 4.39Å; L174-A221 HydrophobicContact CD2-CB 3.9Å
175Y91.9Very high88.6Confident104 Ų10455.9 Ų55.941%0.40831%0.306SS..EExtended strand (participates in β ladder)trans-108.6116176-69.1-92.9000109.8I4 V5 V6 K7 W27 A173I4-Y175 HydrophobicContact CG2-CD2 3.49Å; I4-Y175 VanDerWaalsContact CG2-CD2 3.49Å; I4-Y175 HydrophobicContact CG2-CE2 3.61Å; V5-Y175 PolarHBondContact O-N 3.01Å; V6-Y175 CarbonylContact C-O 3.56Å; V6-Y175 WeakPolarHBondContact CA-O 3.48Å; K7-Y175 PolarHBondContact N-O 3.03Å; W27-Y175 HydrophobicContact CH2-CD1 4.33Å; W27-Y175 AromaticContact CH2-CD2 4Å; W27-Y175 HydrophobicContact CH2-CD2 4Å; W27-Y175 HydrophobicContact CH2-CE1 4.27Å; W27-Y175 AromaticContact CH2-CE2 3.91Å; W27-Y175 HydrophobicContact CH2-CE2 3.91Å; W27-Y175 HydrophobicContact CH2-CG 4.2Å; W27-Y175 HydrophobicContact CZ2-CD2 4.42Å; W27-Y175 HydrophobicContact CZ2-CE1 4.11Å; W27-Y175 AromaticContact CZ2-CE2 3.86Å; W27-Y175 HydrophobicContact CZ2-CE2 3.86Å; W27-Y175 AromaticContact CZ2-CZ 3.7Å; A173-Y175 HydrophobicContact CB-CD2 4.13Å; A173-Y175 HydrophobicContact CB-CE2 3.51Å
176L89.3Confident88.2Confident36 Ų3662.7 Ų62.719%0.18834%0.342CS..EExtended strand (participates in β ladder)trans-96.5102.5173.5-57.2-178.7000109.3K7 A162 L174 T178 K214 A218K7-L176 HydrophobicContact CB-CD2 3.62Å; K7-L176 HydrophobicContact CG-CD2 4.32Å; A162-L176 HydrophobicContact CB-CD2 4.43Å; L174-L176 HydrophobicContact CD1-CD2 3.97Å; L174-L176 HydrophobicContact CD2-CD2 4.23Å; L174-L176 HydrophobicContact CG-CD2 4.06Å; L174-L176 HydrophobicContact CG-CG 4.39Å; L176-T178 PolarHBondContact O-N 3.04Å; L176-K214 HydrophobicContact CD1-CB 3.95Å; L176-K214 HydrophobicContact CD1-CG 4.3Å; L176-K214 VanDerWaalsContact CD1-O 3.3Å; L176-K214 WeakPolarHBondContact CD1-O 3.05Å; L176-A218 HydrophobicContact CD1-CB 4.41Å
177L87.4Confident87.8Confident60 Ų6069.5 Ų69.531%0.31437%0.372SS..  trans-68131.9179.7-167.668.3000110.5K7 I8 A12 L16K7-L177 WeakPolarHBondContact O-CB 3.32Å; K7-L177 PolarHBondContact O-N 3.22Å; I8-L177 HydrophobicContact CG1-CD2 4.46Å; I8-L177 HydrophobicContact CG2-CD2 4.19Å; A12-L177 HydrophobicContact CB-CD2 3.85Å; L16-L177 HydrophobicContact CD2-CD2 4.21Å
178T80.1Confident87.9Confident50 Ų5073.4 Ų73.431%0.30739%0.391SS..  trans-135.6154.8-175.6171.80000109.7L176 V180L176-T178 PolarHBondContact O-N 3.04Å; T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 WeakPolarHBondContact CG2-O 3.23Å; T178-V180 VanDerWaalsContact OG1-CG2 3.3Å; T178-V180 WeakPolarHBondContact OG1-CG2 2.97Å; T178-V180 PolarHBondContact OG1-N 3.06Å; T178-V180 PolarHBondContact OG1-O 3.16Å
179D77.6Confident87.9Confident160 Ų16076.8 Ų76.886%0.85639%0.394SS*.SBendtrans-82.6-12.4176.758.9-20.5000113.1
180V80.3Confident87.8Confident57 Ų5778.9 Ų78.935%0.34541%0.405SS..SBendtrans-106.1147.4171.1-63.10000111.7T178 G182 W189 M211T178-V180 VanDerWaalsContact C-N 3.34Å; T178-V180 WeakPolarHBondContact CG2-O 3.23Å; T178-V180 VanDerWaalsContact OG1-CG2 3.3Å; T178-V180 WeakPolarHBondContact OG1-CG2 2.97Å; T178-V180 PolarHBondContact OG1-N 3.06Å; T178-V180 PolarHBondContact OG1-O 3.16Å; V180-G182 PolarHBondContact O-N 2.83Å; V180-G182 VanDerWaalsContact O-N 3.08Å; V180-W189 HydrophobicContact CB-CH2 4.23Å; V180-W189 HydrophobicContact CB-CZ3 4.35Å; V180-M211 HydrophobicContact CG2-CE 3.76Å
181P79.9Confident87.7Confident104 Ų10479.2 Ų79.268%0.67541%0.412SS*.SBendtrans-57.6-21.6-179.6-27.934.6000116.4W189P181-W189 HydrophobicContact CB-CD2 3.83Å; P181-W189 HydrophobicContact CB-CE3 4.07Å; P181-W189 HydrophobicContact CB-CG 4.17Å; P181-W189 HydrophobicContact CB-CZ2 4.44Å; P181-W189 HydrophobicContact CB-CZ3 4.46Å; P181-W189 HydrophobicContact CG-CD2 4.16Å; P181-W189 HydrophobicContact CG-CH2 4.31Å; P181-W189 HydrophobicContact CG-CZ2 3.9Å
182G86.1Confident87.5Confident20 Ų2087.9 Ų87.921%0.20645%0.448CS..SBendtrans162.1-150179.900000112.4V180 W189V180-G182 PolarHBondContact O-N 2.83Å; V180-G182 VanDerWaalsContact O-N 3.08Å; G182-W189 VanDerWaalsContact O-CZ3 3.25Å; G182-W189 WeakPolarHBondContact O-CZ3 2.97Å
183V88.8Confident87.4Confident11 Ų1186.6 Ų86.67%0.06744%0.441CS..  trans-84.4132.9170.2179.10000108.8L190 L193 L201 I207 M211 L215V183-L190 HydrophobicContact CB-CD1 4.39Å; V183-L190 HydrophobicContact CG1-CD1 4.04Å; V183-L190 PolarHBondContact O-N 2.88Å; V183-L193 HydrophobicContact CB-CD1 3.8Å; V183-L193 HydrophobicContact CG1-CD1 4.23Å; V183-L193 HydrophobicContact CG2-CD1 3.62Å; V183-L201 HydrophobicContact CG1-CD1 4.3Å; V183-I207 HydrophobicContact CG1-CD1 4.46Å; V183-I207 HydrophobicContact CG1-CG1 3.82Å; V183-I207 HydrophobicContact CG2-CG1 4.37Å; V183-M211 HydrophobicContact CG2-CG 4.2Å; V183-M211 HydrophobicContact CG2-SD 4.45Å; V183-L215 HydrophobicContact CG2-CD1 3.76Å; V183-L215 HydrophobicContact CG2-CD2 4.43Å
184K89.5Confident87.2Confident73 Ų7387.8 Ų87.832%0.31745%0.448SS..EExtended strand (participates in β ladder)trans-107.4122.9178.2-156.3-172.8-170.1-152.40109.7E187 Q188 W189 V206K184-E187 WeakPolarHBondContact CE-O 3.44Å; K184-E187 IonicContact NZ-OE1 2.86Å; K184-E187 PolarHBondContact NZ-OE1 3.31Å; K184-E187 IonicContact NZ-OE2 2.64Å; K184-E187 PolarHBondContact NZ-OE2 2.9Å; K184-Q188 CarbonylContact C-O 3.59Å; K184-Q188 VanDerWaalsContact CA-O 3.27Å; K184-Q188 WeakPolarHBondContact CA-O 3.46Å; K184-Q188 WeakPolarHBondContact CG-O 3.4Å; K184-W189 HydrophobicContact CB-CD2 4.39Å; K184-W189 HydrophobicContact CB-CE3 3.75Å; K184-W189 HydrophobicContact CB-CH2 4.17Å; K184-W189 HydrophobicContact CB-CZ3 3.64Å; K184-W189 HydrophobicContact CD-CH2 4.14Å; K184-W189 HydrophobicContact CD-CZ2 4.15Å; K184-W189 HydrophobicContact CD-CZ3 4.42Å; K184-W189 HydrophobicContact CG-CD2 4.2Å; K184-W189 HydrophobicContact CG-CE3 4.07Å; K184-W189 HydrophobicContact CG-CH2 4.36Å; K184-W189 HydrophobicContact CG-CZ2 4.48Å; K184-W189 HydrophobicContact CG-CZ3 4.16Å; K184-V206 VanDerWaalsContact O-CG1 3.23Å; K184-V206 WeakPolarHBondContact O-CG1 3.15Å
185Q88.9Confident86.8Confident58 Ų5887.4 Ų87.427%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-124.6131.5172.4-177.2179.413.900108.2E187 Q188 L190 L201 V206Q185-E187 VanDerWaalsContact C-N 3.3Å; Q185-E187 PolarHBondContact O-N 2.9Å; Q185-Q188 PolarHBondContact N-O 3.3Å; Q185-Q188 PolarHBondContact O-N 3.31Å; Q185-Q188 VanDerWaalsContact O-O 3.1Å; Q185-L190 HydrophobicContact CB-CD1 3.95Å; Q185-L190 HydrophobicContact CB-CD2 4.13Å; Q185-L190 HydrophobicContact CB-CG 4.2Å; Q185-L201 HydrophobicContact CG-CD2 4.28Å; Q185-V206 HydrophobicContact CB-CG1 4.16Å; Q185-V206 HydrophobicContact CG-CG1 4.39Å
186D87.9Confident86.4Confident143 Ų14389.3 Ų89.377%0.76546%0.458SS*.THydrogen-bonded Turntrans49.447179-58.5-39.1000114.1Q188D186-Q188 PolarHBondContact O-N 2.85Å; D186-Q188 VanDerWaalsContact O-N 3.13Å
187E85.8Confident86.3Confident152 Ų15291.6 Ų91.671%0.7147%0.467SS*.THydrogen-bonded Turntrans64.95-177-64.5-65.6105.800116K184 Q185K184-E187 WeakPolarHBondContact CE-O 3.44Å; K184-E187 IonicContact NZ-OE1 2.86Å; K184-E187 PolarHBondContact NZ-OE1 3.31Å; K184-E187 IonicContact NZ-OE2 2.64Å; K184-E187 PolarHBondContact NZ-OE2 2.9Å; Q185-E187 VanDerWaalsContact C-N 3.3Å; Q185-E187 PolarHBondContact O-N 2.9Å
188Q90.4Very high86.3Confident144 Ų14489 Ų8967%0.67345%0.454SS*.EExtended strand (participates in β ladder)trans-111143178-61.6-174.411.700112K184 Q185 D186K184-Q188 CarbonylContact C-O 3.59Å; K184-Q188 VanDerWaalsContact CA-O 3.27Å; K184-Q188 WeakPolarHBondContact CA-O 3.46Å; K184-Q188 WeakPolarHBondContact CG-O 3.4Å; Q185-Q188 PolarHBondContact N-O 3.3Å; Q185-Q188 PolarHBondContact O-N 3.31Å; Q185-Q188 VanDerWaalsContact O-O 3.1Å; D186-Q188 PolarHBondContact O-N 2.85Å; D186-Q188 VanDerWaalsContact O-N 3.13Å
189W90.9Very high86.5Confident116 Ų11690.9 Ų90.944%0.43946%0.459SS..EExtended strand (participates in β ladder)trans-81.7131173.8-60.1108000109.8V180 P181 G182 K184V180-W189 HydrophobicContact CB-CH2 4.23Å; V180-W189 HydrophobicContact CB-CZ3 4.35Å; P181-W189 HydrophobicContact CB-CD2 3.83Å; P181-W189 HydrophobicContact CB-CE3 4.07Å; P181-W189 HydrophobicContact CB-CG 4.17Å; P181-W189 HydrophobicContact CB-CZ2 4.44Å; P181-W189 HydrophobicContact CB-CZ3 4.46Å; P181-W189 HydrophobicContact CG-CD2 4.16Å; P181-W189 HydrophobicContact CG-CH2 4.31Å; P181-W189 HydrophobicContact CG-CZ2 3.9Å; G182-W189 VanDerWaalsContact O-CZ3 3.25Å; G182-W189 WeakPolarHBondContact O-CZ3 2.97Å; K184-W189 HydrophobicContact CB-CD2 4.39Å; K184-W189 HydrophobicContact CB-CE3 3.75Å; K184-W189 HydrophobicContact CB-CH2 4.17Å; K184-W189 HydrophobicContact CB-CZ3 3.64Å; K184-W189 HydrophobicContact CD-CH2 4.14Å; K184-W189 HydrophobicContact CD-CZ2 4.15Å; K184-W189 HydrophobicContact CD-CZ3 4.42Å; K184-W189 HydrophobicContact CG-CD2 4.2Å; K184-W189 HydrophobicContact CG-CE3 4.07Å; K184-W189 HydrophobicContact CG-CH2 4.36Å; K184-W189 HydrophobicContact CG-CZ2 4.48Å; K184-W189 HydrophobicContact CG-CZ3 4.16Å
190L90.5Very high86.9Confident48 Ų4887.5 Ų87.525%0.25144%0.438SS..  trans-86.8121179.1-56176.1000110.1V183 Q185 L193 L201V183-L190 HydrophobicContact CB-CD1 4.39Å; V183-L190 HydrophobicContact CG1-CD1 4.04Å; V183-L190 PolarHBondContact O-N 2.88Å; Q185-L190 HydrophobicContact CB-CD1 3.95Å; Q185-L190 HydrophobicContact CB-CD2 4.13Å; Q185-L190 HydrophobicContact CB-CG 4.2Å; L190-L193 HydrophobicContact CB-CG 4.4Å; L190-L193 HydrophobicContact CD1-CD1 4.34Å; L190-L193 HydrophobicContact CD1-CD2 3.65Å; L190-L193 HydrophobicContact CD1-CG 4.14Å; L190-L201 HydrophobicContact CD1-CD1 3.84Å
191D87.7Confident87.3Confident165 Ų16585 Ų8588%0.88242%0.423SS*.SBendtrans-74.2-29.2178.9-68-30000112.8
192K89.8Confident87.7Confident189 Ų18982.1 Ų82.182%0.82240%0.4SS*.  trans-145.3145.7-178.1-64.8-177.4-177.4176.30110
193L88Confident87.6Confident55 Ų5585.1 Ų85.129%0.28842%0.423SS..  trans-136.5134.2175.8-81165.4000109.3V183 L190 E197 V198 L201V183-L193 HydrophobicContact CB-CD1 3.8Å; V183-L193 HydrophobicContact CG1-CD1 4.23Å; V183-L193 HydrophobicContact CG2-CD1 3.62Å; L190-L193 HydrophobicContact CB-CG 4.4Å; L190-L193 HydrophobicContact CD1-CD1 4.34Å; L190-L193 HydrophobicContact CD1-CD2 3.65Å; L190-L193 HydrophobicContact CD1-CG 4.14Å; L193-E197 HydrophobicContact CD2-CB 3.74Å; L193-V198 HydrophobicContact CB-CG2 4.15Å; L193-V198 HydrophobicContact CD1-CG2 4.46Å; L193-L201 HydrophobicContact CD2-CD1 3.5Å
194S88.2Confident87.6Confident55 Ų5589.3 Ų89.339%0.38544%0.442SS..  trans-80.7159.5164.369.60000110.6H196 E197 V198S194-H196 PolarHBondContact O-N 2.83Å; S194-E197 WeakPolarHBondContact CA-OE2 3.13Å; S194-E197 VanDerWaalsContact CB-OE2 3.22Å; S194-E197 WeakPolarHBondContact CB-OE2 3.34Å; S194-E197 PolarHBondContact N-OE2 3.09Å; S194-E197 PolarHBondContact O-N 3.23Å; S194-E197 VanDerWaalsContact O-N 3.15Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 VanDerWaalsContact OG-CG 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.48Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 2.91Å; S194-V198 PolarHBondContact O-N 3.37Å
195I84.3Confident87.4Confident35 Ų3594 Ų9418%0.17946%0.462CS..Hα-helixtrans-60-37178.2-62.8172.3000111.2V198 E199 V219 Y222 C231I195-V198 WeakPolarHBondContact O-CB 3.43Å; I195-V198 PolarHBondContact O-N 3.3Å; I195-E199 PolarHBondContact O-N 2.83Å; I195-V219 HydrophobicContact CD1-CG1 4.45Å; I195-V219 HydrophobicContact CG1-CG1 4.37Å; I195-V219 HydrophobicContact CG1-CG2 4.29Å; I195-V219 HydrophobicContact CG2-CG1 3.73Å; I195-V219 HydrophobicContact CG2-CG2 4.25Å; I195-Y222 HydrophobicContact CD1-CD1 3.45Å; I195-Y222 VanDerWaalsContact CD1-CD1 3.45Å; I195-Y222 HydrophobicContact CD1-CE1 3.81Å; I195-Y222 HydrophobicContact CD1-CG 4.37Å; I195-C231 HydrophobicContact CD1-CB 4.29Å; I195-C231 WeakPolarHBondContact CD1-SG 3.37Å; I195-C231 HydrophobicContact CG2-CB 4.18Å
196H82.8Confident87.4Confident144 Ų14493.7 Ų93.767%0.66746%0.464SS*.Hα-helixtrans-65.4-41.8177.2-171.360.3000112.1S194 V198 E199 Q200S194-H196 PolarHBondContact O-N 2.83Å; H196-V198 VanDerWaalsContact C-N 3.31Å; H196-V198 PolarHBondContact O-N 3.23Å; H196-E199 PolarHBondContact O-N 3.34Å; H196-Q200 WeakPolarHBondContact O-CB 3.41Å; H196-Q200 PolarHBondContact O-N 3.16Å
197E86.5Confident87.3Confident85 Ų8587.1 Ų87.140%0.39743%0.429SS..Hα-helixtrans-64.2-36.3175.2-71.5161.8138.500111.4L193 S194 Q200 L201L193-E197 HydrophobicContact CD2-CB 3.74Å; S194-E197 WeakPolarHBondContact CA-OE2 3.13Å; S194-E197 VanDerWaalsContact CB-OE2 3.22Å; S194-E197 WeakPolarHBondContact CB-OE2 3.34Å; S194-E197 PolarHBondContact N-OE2 3.09Å; S194-E197 PolarHBondContact O-N 3.23Å; S194-E197 VanDerWaalsContact O-N 3.15Å; S194-E197 VanDerWaalsContact OG-CD 3.26Å; S194-E197 VanDerWaalsContact OG-CG 3.26Å; S194-E197 WeakPolarHBondContact OG-CG 3.48Å; S194-E197 PolarHBondContact OG-N 3.42Å; S194-E197 PolarHBondContact OG-OE2 2.91Å; E197-Q200 PolarHBondContact O-N 3.49Å; E197-L201 VanDerWaalsContact O-CB 3.24Å; E197-L201 WeakPolarHBondContact O-CB 3.34Å; E197-L201 WeakPolarHBondContact O-CG 3.31Å; E197-L201 PolarHBondContact O-N 2.94Å
198V87.3Confident87.2Confident6 Ų684.3 Ų84.34%0.03642%0.422CS..Hα-helixtrans-59.7-48.5174.7172.10000111.2L193 S194 I195 H196 K202 L215 V219L193-V198 HydrophobicContact CB-CG2 4.15Å; L193-V198 HydrophobicContact CD1-CG2 4.46Å; S194-V198 PolarHBondContact O-N 3.37Å; I195-V198 WeakPolarHBondContact O-CB 3.43Å; I195-V198 PolarHBondContact O-N 3.3Å; H196-V198 VanDerWaalsContact C-N 3.31Å; H196-V198 PolarHBondContact O-N 3.23Å; V198-K202 WeakPolarHBondContact O-CG 3.22Å; V198-K202 PolarHBondContact O-N 2.88Å; V198-L215 HydrophobicContact CG1-CB 3.88Å; V198-L215 HydrophobicContact CG1-CD1 4.33Å; V198-L215 HydrophobicContact CG2-CD2 4.46Å; V198-V219 HydrophobicContact CB-CG2 4.39Å; V198-V219 HydrophobicContact CG1-CG2 4.11Å; V198-V219 HydrophobicContact CG2-CG2 4.47Å
199E84.7Confident86.7Confident89 Ų8980.1 Ų80.142%0.41642%0.418SS..Hα-helixtrans-63.1-43.1177.6-65.7-51.613500112.1I195 H196 K202 A203I195-E199 PolarHBondContact O-N 2.83Å; H196-E199 PolarHBondContact O-N 3.34Å; E199-K202 VanDerWaalsContact CD-CE 3.41Å; E199-K202 PolarHBondContact O-N 2.83Å; E199-K202 VanDerWaalsContact OE1-CE 3.31Å; E199-K202 WeakPolarHBondContact OE1-CE 3.22Å; E199-K202 IonicContact OE1-NZ 2.71Å; E199-K202 PolarHBondContact OE1-NZ 2.83Å; E199-K202 WeakPolarHBondContact OE2-CE 3.34Å; E199-K202 IonicContact OE2-NZ 3.86Å; E199-K202 PolarHBondContact OE2-NZ 2.87Å; E199-A203 PolarHBondContact O-N 3.24Å
200Q85.8Confident85.9Confident88 Ų8877.1 Ų77.141%0.41142%0.423SS..Hα-helixtrans-62.6-49177.9-176.4-179.2-9.800111.8H196 E197 K202 A203 E204H196-Q200 WeakPolarHBondContact O-CB 3.41Å; H196-Q200 PolarHBondContact O-N 3.16Å; E197-Q200 PolarHBondContact O-N 3.49Å; Q200-K202 VanDerWaalsContact C-N 3.29Å; Q200-K202 PolarHBondContact O-N 3.09Å; Q200-A203 WeakPolarHBondContact O-CB 3.49Å; Q200-A203 PolarHBondContact O-N 2.96Å; Q200-E204 HydrophobicContact CG-CG 4.46Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.5Å; Q200-E204 PolarHBondContact NE2-OE1 3.07Å; Q200-E204 WeakPolarHBondContact O-CG 3.26Å; Q200-E204 PolarHBondContact O-N 3.04Å
201L90Very high85.5Confident5 Ų576.3 Ų76.33%0.02642%0.418CS..Hα-helixtrans-68.3-26.8-178.6-69.3175.1000112.8V183 Q185 L190 L193 E197 K205 V206 I207V183-L201 HydrophobicContact CG1-CD1 4.3Å; Q185-L201 HydrophobicContact CG-CD2 4.28Å; L190-L201 HydrophobicContact CD1-CD1 3.84Å; L193-L201 HydrophobicContact CD2-CD1 3.5Å; E197-L201 VanDerWaalsContact O-CB 3.24Å; E197-L201 WeakPolarHBondContact O-CB 3.34Å; E197-L201 WeakPolarHBondContact O-CG 3.31Å; E197-L201 PolarHBondContact O-N 2.94Å; L201-K205 PolarHBondContact O-N 3.43Å; L201-V206 HydrophobicContact CB-CB 4.29Å; L201-V206 HydrophobicContact CD2-CB 3.97Å; L201-V206 HydrophobicContact CD2-CG1 4.11Å; L201-V206 HydrophobicContact CD2-CG2 4.01Å; L201-V206 PolarHBondContact O-N 2.96Å; L201-I207 HydrophobicContact CB-CD1 3.44Å; L201-I207 VanDerWaalsContact CB-CD1 3.44Å; L201-I207 HydrophobicContact CB-CG1 3.88Å; L201-I207 HydrophobicContact CD1-CD1 4.34Å; L201-I207 PolarHBondContact O-N 3.34Å
202K86.9Confident85.3Confident44 Ų4471.3 Ų71.319%0.19139%0.391CS..Hα-helixtrans-65.9-47.9167.1-77.6-174.3-60.4-179.40110.9V198 E199 Q200 E204 K205 I207 I212 N216V198-K202 WeakPolarHBondContact O-CG 3.22Å; V198-K202 PolarHBondContact O-N 2.88Å; E199-K202 VanDerWaalsContact CD-CE 3.41Å; E199-K202 PolarHBondContact O-N 2.83Å; E199-K202 VanDerWaalsContact OE1-CE 3.31Å; E199-K202 WeakPolarHBondContact OE1-CE 3.22Å; E199-K202 IonicContact OE1-NZ 2.71Å; E199-K202 PolarHBondContact OE1-NZ 2.83Å; E199-K202 WeakPolarHBondContact OE2-CE 3.34Å; E199-K202 IonicContact OE2-NZ 3.86Å; E199-K202 PolarHBondContact OE2-NZ 2.87Å; Q200-K202 VanDerWaalsContact C-N 3.29Å; Q200-K202 PolarHBondContact O-N 3.09Å; K202-E204 VanDerWaalsContact C-N 3.31Å; K202-E204 PolarHBondContact O-N 3.13Å; K202-K205 PolarHBondContact O-N 3.36Å; K202-K205 VanDerWaalsContact O-N 3.07Å; K202-I207 HydrophobicContact CG-CB 4.24Å; K202-I207 HydrophobicContact CG-CD1 4.16Å; K202-I207 HydrophobicContact CG-CG2 4.32Å; K202-I212 HydrophobicContact CD-CG2 4.18Å; K202-N216 PolarHBondContact NZ-OD1 3.12Å
203A85.3Confident84.7Confident83 Ų8364.6 Ų64.669%0.68637%0.367SS*.Hα-helixtrans-62.6-37.817900000112.4E199 Q200 K205E199-A203 PolarHBondContact O-N 3.24Å; Q200-A203 WeakPolarHBondContact O-CB 3.49Å; Q200-A203 PolarHBondContact O-N 2.96Å; A203-K205 PolarHBondContact O-N 3.18Å
204E88.4Confident84.4Confident99 Ų9963.4 Ų63.446%0.46336%0.359SS..THydrogen-bonded Turntrans-76.2-1.5176.1-68.3174.8-173.400113.5Q200 K202 V206Q200-E204 HydrophobicContact CG-CG 4.46Å; Q200-E204 WeakPolarHBondContact CG-OE1 3.5Å; Q200-E204 PolarHBondContact NE2-OE1 3.07Å; Q200-E204 WeakPolarHBondContact O-CG 3.26Å; Q200-E204 PolarHBondContact O-N 3.04Å; K202-E204 VanDerWaalsContact C-N 3.31Å; K202-E204 PolarHBondContact O-N 3.13Å; E204-V206 HydrophobicContact CB-CG2 4.03Å; E204-V206 PolarHBondContact O-N 3.23Å
205K85.8Confident84.2Confident171 Ų17162 Ų6274%0.74335%0.347SS*.THydrogen-bonded Turntrans57.425.4-176.5-55.9-178.5178.71790114.1L201 K202 A203 T208L201-K205 PolarHBondContact O-N 3.43Å; K202-K205 PolarHBondContact O-N 3.36Å; K202-K205 VanDerWaalsContact O-N 3.07Å; A203-K205 PolarHBondContact O-N 3.18Å; K205-T208 VanDerWaalsContact O-CG2 3.31Å; K205-T208 WeakPolarHBondContact O-CG2 3.24Å
206V88.1Confident84.1Confident51 Ų5163 Ų6331%0.30935%0.353SS..  trans-73-43170.2178.40000109.3K184 Q185 L201 E204K184-V206 VanDerWaalsContact O-CG1 3.23Å; K184-V206 WeakPolarHBondContact O-CG1 3.15Å; Q185-V206 HydrophobicContact CB-CG1 4.16Å; Q185-V206 HydrophobicContact CG-CG1 4.39Å; L201-V206 HydrophobicContact CB-CB 4.29Å; L201-V206 HydrophobicContact CD2-CB 3.97Å; L201-V206 HydrophobicContact CD2-CG1 4.11Å; L201-V206 HydrophobicContact CD2-CG2 4.01Å; L201-V206 PolarHBondContact O-N 2.96Å; E204-V206 HydrophobicContact CB-CG2 4.03Å; E204-V206 PolarHBondContact O-N 3.23Å
207I86.7Confident83.9Confident5 Ų556.2 Ų56.23%0.02632%0.321CS..SBendtrans-87.2122.1172.3-61.5160000108.8V183 L201 K202 M211 I212 L215V183-I207 HydrophobicContact CG1-CD1 4.46Å; V183-I207 HydrophobicContact CG1-CG1 3.82Å; V183-I207 HydrophobicContact CG2-CG1 4.37Å; L201-I207 HydrophobicContact CB-CD1 3.44Å; L201-I207 VanDerWaalsContact CB-CD1 3.44Å; L201-I207 HydrophobicContact CB-CG1 3.88Å; L201-I207 HydrophobicContact CD1-CD1 4.34Å; L201-I207 PolarHBondContact O-N 3.34Å; K202-I207 HydrophobicContact CG-CB 4.24Å; K202-I207 HydrophobicContact CG-CD1 4.16Å; K202-I207 HydrophobicContact CG-CG2 4.32Å; I207-M211 HydrophobicContact CG2-CB 4.09Å; I207-M211 HydrophobicContact CG2-CG 3.97Å; I207-I212 HydrophobicContact CG2-CG1 3.81Å; I207-L215 HydrophobicContact CB-CD1 4.49Å; I207-L215 HydrophobicContact CD1-CD1 3.44Å; I207-L215 VanDerWaalsContact CD1-CD1 3.44Å; I207-L215 HydrophobicContact CG1-CD1 3.93Å; I207-L215 HydrophobicContact CG2-CD1 3.75Å
208T83Confident83.6Confident93 Ų9354 Ų5457%0.57132%0.318SS*.  trans-138.1167179.861.50000112.4K205 M211K205-T208 VanDerWaalsContact O-CG2 3.31Å; K205-T208 WeakPolarHBondContact O-CG2 3.24Å; T208-M211 PolarHBondContact O-N 3.3Å
209G79.7Confident83.4Confident57 Ų5754.6 Ų54.659%0.58832%0.322SS*.THydrogen-bonded Turntrans62.2-141.8172.900000113.8M211 I212 P213G209-M211 PolarHBondContact O-N 3.07Å; G209-M211 VanDerWaalsContact O-N 3.09Å; G209-I212 PolarHBondContact O-N 2.72Å; G209-P213 WeakPolarHBondContact O-CD 3.46Å
210G74.3Confident83Confident53 Ų5354 Ų5455%0.54632%0.322SS..THydrogen-bonded Turntrans-67-6-176.200000115.5P213 K214G210-P213 WeakPolarHBondContact O-CG 3.31Å; G210-K214 WeakPolarHBondContact O-CG 3.43Å
211M83.1Confident82.4Confident31 Ų3150.6 Ų50.615%0.15331%0.308CS..Hα-helixtrans-77.9-29.2174-1716074.300112.3V180 V183 I207 T208 G209 K214 L215V180-M211 HydrophobicContact CG2-CE 3.76Å; V183-M211 HydrophobicContact CG2-CG 4.2Å; V183-M211 HydrophobicContact CG2-SD 4.45Å; I207-M211 HydrophobicContact CG2-CB 4.09Å; I207-M211 HydrophobicContact CG2-CG 3.97Å; T208-M211 PolarHBondContact O-N 3.3Å; G209-M211 PolarHBondContact O-N 3.07Å; G209-M211 VanDerWaalsContact O-N 3.09Å; M211-K214 WeakPolarHBondContact O-CB 3.38Å; M211-K214 PolarHBondContact O-N 3.15Å; M211-K214 HydrophobicContact SD-CB 4.26Å; M211-K214 HydrophobicContact SD-CD 4.31Å; M211-L215 HydrophobicContact CG-CD1 3.79Å; M211-L215 HydrophobicContact CG-CG 4.1Å; M211-L215 WeakPolarHBondContact O-CG 3.5Å; M211-L215 PolarHBondContact O-N 2.51Å; M211-L215 HydrophobicContact SD-CD1 4.38Å; M211-L215 HydrophobicContact SD-CG 4.15Å
212I82.1Confident81.6Confident60 Ų6057.3 Ų57.331%0.30833%0.334SS..Hα-helixtrans-56.8-55.9177.3-61.1177.1000111.6K202 I207 G209 K214 L215 N216K202-I212 HydrophobicContact CD-CG2 4.18Å; I207-I212 HydrophobicContact CG2-CG1 3.81Å; G209-I212 PolarHBondContact O-N 2.72Å; I212-K214 VanDerWaalsContact C-N 3.29Å; I212-K214 PolarHBondContact O-N 2.67Å; I212-L215 PolarHBondContact O-N 3.22Å; I212-N216 VanDerWaalsContact O-CG 3.3Å; I212-N216 PolarHBondContact O-N 3.34Å
213P77.5Confident80.8Confident48 Ų4856 Ų5631%0.31233%0.33SS..Hα-helixtrans-61.7-36.8179.222.7-33.1000112G209 G210 L215 N216 S217G209-P213 WeakPolarHBondContact O-CD 3.46Å; G210-P213 WeakPolarHBondContact O-CG 3.31Å; P213-L215 PolarHBondContact O-N 3.02Å; P213-N216 PolarHBondContact O-N 3.46Å; P213-S217 PolarHBondContact O-N 3.27Å; P213-S217 PolarHBondContact O-OG 2.92Å
214K80.8Confident79.9Confident30 Ų3053.6 Ų53.613%0.1331%0.306CS..Hα-helixtrans-59.6-46.9176.8-72.3180-172-49.20113D159 L176 G210 M211 I212 S217 A218D159-K214 IonicContact OD1-NZ 3.28Å; D159-K214 PolarHBondContact OD1-NZ 2.83Å; D159-K214 VanDerWaalsContact OD2-CG 3.28Å; D159-K214 WeakPolarHBondContact OD2-CG 3.28Å; D159-K214 IonicContact OD2-NZ 3.23Å; D159-K214 PolarHBondContact OD2-NZ 3.37Å; L176-K214 HydrophobicContact CD1-CB 3.95Å; L176-K214 HydrophobicContact CD1-CG 4.3Å; L176-K214 VanDerWaalsContact CD1-O 3.3Å; L176-K214 WeakPolarHBondContact CD1-O 3.05Å; G210-K214 WeakPolarHBondContact O-CG 3.43Å; M211-K214 WeakPolarHBondContact O-CB 3.38Å; M211-K214 PolarHBondContact O-N 3.15Å; M211-K214 HydrophobicContact SD-CB 4.26Å; M211-K214 HydrophobicContact SD-CD 4.31Å; I212-K214 VanDerWaalsContact C-N 3.29Å; I212-K214 PolarHBondContact O-N 2.67Å; K214-S217 PolarHBondContact O-N 3.3Å; K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 2.99Å
215L84.8Confident78.6Confident25 Ų2555.4 Ų55.413%0.13131%0.309CS..Hα-helixtrans-71.3-37.4-179.6-70.4173.6000111.2V183 V198 I207 M211 I212 P213 A218 V219V183-L215 HydrophobicContact CG2-CD1 3.76Å; V183-L215 HydrophobicContact CG2-CD2 4.43Å; V198-L215 HydrophobicContact CG1-CB 3.88Å; V198-L215 HydrophobicContact CG1-CD1 4.33Å; V198-L215 HydrophobicContact CG2-CD2 4.46Å; I207-L215 HydrophobicContact CB-CD1 4.49Å; I207-L215 HydrophobicContact CD1-CD1 3.44Å; I207-L215 VanDerWaalsContact CD1-CD1 3.44Å; I207-L215 HydrophobicContact CG1-CD1 3.93Å; I207-L215 HydrophobicContact CG2-CD1 3.75Å; M211-L215 HydrophobicContact CG-CD1 3.79Å; M211-L215 HydrophobicContact CG-CG 4.1Å; M211-L215 WeakPolarHBondContact O-CG 3.5Å; M211-L215 PolarHBondContact O-N 2.51Å; M211-L215 HydrophobicContact SD-CD1 4.38Å; M211-L215 HydrophobicContact SD-CG 4.15Å; I212-L215 PolarHBondContact O-N 3.22Å; P213-L215 PolarHBondContact O-N 3.02Å; L215-A218 PolarHBondContact O-N 2.82Å; L215-V219 WeakPolarHBondContact O-CB 3.32Å; L215-V219 VanDerWaalsContact O-CG2 3.22Å; L215-V219 WeakPolarHBondContact O-CG2 3.31Å; L215-V219 PolarHBondContact O-N 2.94Å
216N82.7Confident76.9Confident55 Ų5555.3 Ų55.329%0.29431%0.308SS..Hα-helixtrans-58.9-51.7171.6-68.7-9.6000110.7K202 I212 P213 A218 V219 D220K202-N216 PolarHBondContact NZ-OD1 3.12Å; I212-N216 VanDerWaalsContact O-CG 3.3Å; I212-N216 PolarHBondContact O-N 3.34Å; P213-N216 PolarHBondContact O-N 3.46Å; N216-A218 VanDerWaalsContact C-N 3.27Å; N216-A218 PolarHBondContact O-N 3.41Å; N216-V219 PolarHBondContact O-N 3.36Å; N216-V219 VanDerWaalsContact O-N 3.13Å; N216-D220 WeakPolarHBondContact O-CB 3.35Å; N216-D220 PolarHBondContact O-N 2.99Å
217S78.9Confident74.9Confident2 Ų256.2 Ų56.21%0.01433%0.328CS..Hα-helixtrans-60.5-36177.7-48.90000112.2D160 C163 P213 K214 A221D160-S217 PolarHBondContact OD1-OG 2.86Å; C163-S217 PolarHBondContact SG-O 2.88Å; P213-S217 PolarHBondContact O-N 3.27Å; P213-S217 PolarHBondContact O-OG 2.92Å; K214-S217 PolarHBondContact O-N 3.3Å; S217-A221 WeakPolarHBondContact O-CB 3.24Å; S217-A221 PolarHBondContact O-N 2.85Å
218A80.1Confident72.9Confident40 Ų4058.5 Ų58.533%0.33135%0.353SS..Hα-helixtrans-69.4-40.217600000112.7L176 K214 L215 N216 Y222L176-A218 HydrophobicContact CD1-CB 4.41Å; K214-A218 WeakPolarHBondContact O-CB 3.43Å; K214-A218 PolarHBondContact O-N 2.99Å; L215-A218 PolarHBondContact O-N 2.82Å; N216-A218 VanDerWaalsContact C-N 3.27Å; N216-A218 PolarHBondContact O-N 3.41Å; A218-Y222 WeakPolarHBondContact O-CB 3.45Å; A218-Y222 PolarHBondContact O-N 2.69Å; A218-Y222 VanDerWaalsContact O-N 3.07Å
219V82.1Confident71Confident18 Ų1855.9 Ų55.911%0.10934%0.344CS..Hα-helixtrans-63.2-45.6173.5169.20000109.7I195 V198 L215 N216 Y222 C223I195-V219 HydrophobicContact CD1-CG1 4.45Å; I195-V219 HydrophobicContact CG1-CG1 4.37Å; I195-V219 HydrophobicContact CG1-CG2 4.29Å; I195-V219 HydrophobicContact CG2-CG1 3.73Å; I195-V219 HydrophobicContact CG2-CG2 4.25Å; V198-V219 HydrophobicContact CB-CG2 4.39Å; V198-V219 HydrophobicContact CG1-CG2 4.11Å; V198-V219 HydrophobicContact CG2-CG2 4.47Å; L215-V219 WeakPolarHBondContact O-CB 3.32Å; L215-V219 VanDerWaalsContact O-CG2 3.22Å; L215-V219 WeakPolarHBondContact O-CG2 3.31Å; L215-V219 PolarHBondContact O-N 2.94Å; N216-V219 PolarHBondContact O-N 3.36Å; N216-V219 VanDerWaalsContact O-N 3.13Å; V219-Y222 PolarHBondContact O-N 3.18Å; V219-C223 WeakPolarHBondContact O-CB 3.42Å; V219-C223 PolarHBondContact O-N 3.28Å; V219-C223 PolarHBondContact O-SG 3.01Å
220D75.8Confident69.6Low77 Ų7759.5 Ų59.541%0.41235%0.35SS..Hα-helixtrans-61.9-46.5178.7-67.4-23000111.5N216 Y222 C223 N224N216-D220 WeakPolarHBondContact O-CB 3.35Å; N216-D220 PolarHBondContact O-N 2.99Å; D220-Y222 VanDerWaalsContact C-N 3.28Å; D220-Y222 PolarHBondContact O-N 3.33Å; D220-C223 PolarHBondContact O-N 3.05Å; D220-N224 WeakPolarHBondContact O-CB 3.31Å; D220-N224 VanDerWaalsContact O-CG 3.29Å; D220-N224 PolarHBondContact O-N 3.44Å; D220-N224 PolarHBondContact O-ND2 3.07Å
221A73.1Confident68.4Low16 Ų1659.7 Ų59.713%0.13234%0.342CS..Hα-helixtrans-56.4-44.6175.700000111.5C163 L174 S217 R225C163-A221 HydrophobicContact CB-CB 4.38Å; C163-A221 VanDerWaalsContact SG-CA 3.56Å; C163-A221 VanDerWaalsContact SG-CB 3.52Å; C163-A221 PolarHBondContact SG-N 3.34Å; C163-A221 VanDerWaalsContact SG-N 3.42Å; L174-A221 HydrophobicContact CD2-CB 3.9Å; S217-A221 WeakPolarHBondContact O-CB 3.24Å; S217-A221 PolarHBondContact O-N 2.85Å; A221-R225 PolarHBondContact O-N 3.43Å
222Y74.2Confident67.2Low145 Ų14564.7 Ų64.757%0.56937%0.366SS*.Hα-helixtrans-69.2-40.9179.6-175.9-87.4000112.2I195 A218 V219 D220I195-Y222 HydrophobicContact CD1-CD1 3.45Å; I195-Y222 VanDerWaalsContact CD1-CD1 3.45Å; I195-Y222 HydrophobicContact CD1-CE1 3.81Å; I195-Y222 HydrophobicContact CD1-CG 4.37Å; A218-Y222 WeakPolarHBondContact O-CB 3.45Å; A218-Y222 PolarHBondContact O-N 2.69Å; A218-Y222 VanDerWaalsContact O-N 3.07Å; V219-Y222 PolarHBondContact O-N 3.18Å; D220-Y222 VanDerWaalsContact C-N 3.28Å; D220-Y222 PolarHBondContact O-N 3.33Å
223C70.4Confident66.5Low17 Ų1765.1 Ų65.112%0.11538%0.375CS..Hα-helixtrans-69.2-43.5-179-680000111.9V219 D220 R225 K226 C231V219-C223 WeakPolarHBondContact O-CB 3.42Å; V219-C223 PolarHBondContact O-N 3.28Å; V219-C223 PolarHBondContact O-SG 3.01Å; D220-C223 PolarHBondContact O-N 3.05Å; C223-R225 PolarHBondContact O-N 2.98Å; C223-K226 PolarHBondContact O-N 2.88Å; C223-C231 VanDerWaalsContact SG-CB 3.51Å
224N66.7Low66.7Low33 Ų3371.8 Ų71.818%0.17640%0.402CS..Hα-helixtrans-73.9-26.8-175.1-66.5-21.6000113.2E167 D220 K226 G227E167-N224 VanDerWaalsContact CD-CB 3.46Å; E167-N224 HydrophobicContact CG-CB 4.04Å; E167-N224 PolarHBondContact OE2-ND2 3.09Å; E167-N224 VanDerWaalsContact OE2-ND2 3.16Å; D220-N224 WeakPolarHBondContact O-CB 3.31Å; D220-N224 VanDerWaalsContact O-CG 3.29Å; D220-N224 PolarHBondContact O-N 3.44Å; D220-N224 PolarHBondContact O-ND2 3.07Å; N224-K226 PolarHBondContact O-N 2.82Å; N224-G227 PolarHBondContact O-N 2.75Å
225R61.2Low66.7Low136 Ų13675.1 Ų75.151%0.51342%0.42SS..THydrogen-bonded Turntrans-55-23.3175.2-170.1175.4179.5178.53.8113.1A171 D172 A221 C223A171-R225 PolarHBondContact O-NH1 2.81Å; D172-R225 PolarHBondContact O-NH1 2.87Å; D172-R225 IonicContact OD1-CZ 2.75Å; D172-R225 IonicContact OD1-NH2 2.69Å; D172-R225 PolarHBondContact OD1-NH2 2.94Å; A221-R225 PolarHBondContact O-N 3.43Å; C223-R225 PolarHBondContact O-N 2.98Å
226K50.4Low66.6Low170 Ų17081.8 Ų81.874%0.73945%0.448SS*.THydrogen-bonded Turntrans-94.914.5179.1-66.9-154.2178.1-175.90115.4C223 N224C223-K226 PolarHBondContact O-N 2.88Å; N224-K226 PolarHBondContact O-N 2.82Å
227G45.3Very low66.4Low70 Ų7085 Ų8572%0.72247%0.472SS*.THydrogen-bonded Turntrans86.458.8171.400000114.3N224N224-G227 PolarHBondContact O-N 2.75Å
228G45Very low66.6Low53 Ų5389.8 Ų89.855%0.54650%0.498SS..SBendtrans113.7130.9166.300000113.7L230G228-L230 PolarHBondContact O-N 3.3Å
229G43.3Very low66.7Low38 Ų3895 Ų9539%0.39251%0.51SS..SBendtrans-50.2119.7-172.800000114.2
230L49.5Very low66.7Low133 Ų13399.5 Ų99.570%0.69655%0.549SS*.SBendtrans157.9110149.5-89.7152.8000106.2G228 M232G228-L230 PolarHBondContact O-N 3.3Å; L230-M232 PolarHBondContact O-N 3.28Å
231C50.2Low66.8Low57 Ų57103.2 Ų103.239%0.38556%0.557SS.*THydrogen-bonded Turntrans-43.8116.4176.2179.10000110.9I195 C223I195-C231 HydrophobicContact CD1-CB 4.29Å; I195-C231 WeakPolarHBondContact CD1-SG 3.37Å; I195-C231 HydrophobicContact CG2-CB 4.18Å; C223-C231 VanDerWaalsContact SG-CB 3.51Å
232M56.5Low67.3Low135 Ų135108.1 Ų108.167%0.66558%0.581SS**THydrogen-bonded Turntrans55.356.1167.8-61.3-71.5-7300114.6L230 H234L230-M232 PolarHBondContact O-N 3.28Å; M232-H234 PolarHBondContact O-N 3.07Å
233S67.6Low67.5Low70 Ų70106.5 Ų106.549%0.4959%0.587SS.*  trans-54126.3160.1178.60000110L235S233-L235 PolarHBondContact O-N 3.3Å; S233-L235 WeakPolarHBondContact OG-CB 3.45Å; S233-L235 PolarHBondContact OG-N 3.23Å; S233-L235 VanDerWaalsContact OG-N 3.11Å
234H82Confident68.3Low188 Ų188109 Ų10987%0.8760%0.598SS**SBendtrans-75.30.8169.6-68.5-68.6000112.7M232M232-H234 PolarHBondContact O-N 3.07Å
235L81.9Confident69.4Low100 Ų100111.7 Ų111.752%0.52461%0.612SS.*SBendtrans-96.5144.3-178.3-56.7171.9000110.1S233 R241S233-L235 PolarHBondContact O-N 3.3Å; S233-L235 WeakPolarHBondContact OG-CB 3.45Å; S233-L235 PolarHBondContact OG-N 3.23Å; S233-L235 VanDerWaalsContact OG-N 3.11Å; L235-R241 VanDerWaalsContact CD1-NH1 3.29Å; L235-R241 VanDerWaalsContact CD1-NH2 3.31Å
236F82.1Confident70.9Confident165 Ų165109.5 Ų109.572%0.72461%0.61SS**  trans-56.7141.8166.4-75.1-75.4000110.5N238F236-N238 PolarHBondContact O-N 3.25Å
237P78.5Confident73.1Confident121 Ų121105.7 Ų105.779%0.78660%0.597SS**  trans-76.156.4-179.933.8-37000111.5Y239P237-Y239 VanDerWaalsContact C-N 3.29Å; P237-Y239 PolarHBondContact O-N 3.12Å
238N82.6Confident75.6Confident104 Ų104108.9 Ų108.956%0.55659%0.591SS**  trans-76.9-15.6-176.3-69-20.1000113.5F236F236-N238 PolarHBondContact O-N 3.25Å
239Y83Confident78Confident148 Ų148107 Ų10758%0.5857%0.572SS**SBendtrans-137.4139.4-176-59.8-79.9000109.4P237 R241P237-Y239 VanDerWaalsContact C-N 3.29Å; P237-Y239 PolarHBondContact O-N 3.12Å; Y239-R241 PolarHBondContact O-N 3.35Å
240A80.5Confident80.6Confident113 Ų113108.2 Ų108.293%0.93457%0.574SS**  trans-74.3110.1160.700000107.4
241R79.4Confident82.8Confident155 Ų155103.5 Ų103.559%0.58556%0.558SS**  trans-101.8146.1-174.3-60-177.7-171.7-159.81.3110.4L235 Y239L235-R241 VanDerWaalsContact CD1-NH1 3.29Å; L235-R241 VanDerWaalsContact CD1-NH2 3.31Å; Y239-R241 PolarHBondContact O-N 3.35Å
242D82.5Confident85Confident119 Ų119104.1 Ų104.164%0.63656%0.563SS**  trans-77.7164.3162.7-149.6-51.4000109.9I244D242-I244 VanDerWaalsContact C-N 3.27Å
243T79.2Confident87Confident112 Ų112102.8 Ų102.869%0.68755%0.551SS**SBendtrans-82.2-5.5174.952.50000113D245T243-D245 PolarHBondContact O-N 3.26Å
244I87.4Confident88.4Confident70 Ų7099.9 Ų99.936%0.35953%0.53SS..  trans-69.5113.3178.8-56.3169000110.5D242 L246 D256 Y262D242-I244 VanDerWaalsContact C-N 3.27Å; I244-L246 HydrophobicContact CG2-CD2 3.68Å; I244-L246 HydrophobicContact CG2-CG 4.18Å; I244-D256 HydrophobicContact CG2-CB 4.07Å; I244-Y262 HydrophobicContact CD1-CE1 4.33Å; I244-Y262 HydrophobicContact CG2-CE2 4.16Å
245D89Confident89.2Confident88 Ų8894.3 Ų94.347%0.47150%0.502SS..  trans-93.1100.2172.7-178.926.2000110.9T243 I247 D256 Q257T243-D245 PolarHBondContact O-N 3.26Å; D245-I247 PolarHBondContact O-N 3.06Å; D245-D256 WeakPolarHBondContact O-CA 3.48Å; D245-Q257 HydrophobicContact CB-CG 4.05Å; D245-Q257 PolarHBondContact O-N 3.12Å; D245-Q257 WeakPolarHBondContact OD2-CG 3.39Å; D245-Q257 PolarHBondContact OD2-NE2 3.32Å
246L93.8Very high89.8Confident90 Ų9090.1 Ų90.147%0.47148%0.48SS..EExtended strand (participates in β ladder)trans-79.2114.9179.7-62178.4000111.5I244 V254 Y255 Y262I244-L246 HydrophobicContact CG2-CD2 3.68Å; I244-L246 HydrophobicContact CG2-CG 4.18Å; L246-V254 HydrophobicContact CD1-CB 4.14Å; L246-V254 HydrophobicContact CD1-CG1 4.45Å; L246-V254 HydrophobicContact CD1-CG2 3.8Å; L246-V254 HydrophobicContact CD2-CB 3.96Å; L246-V254 HydrophobicContact CD2-CG2 3.59Å; L246-V254 HydrophobicContact CG-CG2 4.3Å; L246-Y255 CarbonylContact C-O 3.56Å; L246-Y255 WeakPolarHBondContact CA-O 3.48Å; L246-Y262 HydrophobicContact CD2-CD2 4.15Å; L246-Y262 HydrophobicContact CD2-CE2 4.48Å
247I95.9Very high89.9Confident91 Ų9188.3 Ų88.347%0.46747%0.474SS..EExtended strand (participates in β ladder)trans-107.7-15.4-172.859.8162000114.9D245 Y255 D256 Q257D245-I247 PolarHBondContact O-N 3.06Å; I247-Y255 WeakPolarHBondContact CG1-O 3.46Å; I247-Y255 PolarHBondContact N-O 2.91Å; I247-D256 WeakPolarHBondContact CD1-O 3.21Å; I247-D256 WeakPolarHBondContact CG1-O 3.3Å; I247-Q257 HydrophobicContact CG2-CG 3.74Å
248K97.1Very high90.4Very high137 Ų13790.4 Ų90.460%0.59647%0.473SS*.EExtended strand (participates in β ladder)trans-149.7147.4-176.1-176.3179.1178.7-1770109.5V254 Y255K248-V254 CarbonylContact O-C 3.32Å; K248-V254 VanDerWaalsContact O-CA 3.27Å; K248-V254 WeakPolarHBondContact O-CA 3.31Å; K248-Y255 HydrophobicContact CB-CD2 4.07Å; K248-Y255 HydrophobicContact CD-CD2 4.23Å; K248-Y255 HydrophobicContact CG-CD2 4.02Å; K248-Y255 PolarHBondContact N-O 2.99Å; K248-Y255 PolarHBondContact O-N 3.11Å
249G96.7Very high90.9Very high13 Ų1388 Ų8813%0.13447%0.473CS..EExtended strand (participates in β ladder)trans-145.8152.6170.200000112.2Y253 H276 N277G249-Y253 CarbonylContact C-O 3.57Å; G249-Y253 WeakPolarHBondContact CA-O 3.49Å; G249-H276 VanDerWaalsContact C-CB 3.47Å; G249-N277 WeakPolarHBondContact O-CB 3.16Å
250S96.7Very high91.5Very high64 Ų6484.3 Ų84.345%0.44846%0.464SS..EExtended strand (participates in β ladder)trans-152.8119.2175.1-175.90000110.1S252 Y253 H276S250-S252 PolarHBondContact O-N 3.11Å; S250-Y253 PolarHBondContact N-O 3.1Å; S250-Y253 PolarHBondContact O-N 3.25Å; S250-H276 CarbonylContact C-O 3.53Å; S250-H276 WeakPolarHBondContact CA-O 3.28Å
251G96.2Very high92.3Very high34 Ų3482.5 Ų82.535%0.35144%0.444SS..BIsolated β-bridgetrans59.7-122.4-175.200000110.7G275 H276G251-G275 CarbonylContact O-C 3.6Å; G251-G275 VanDerWaalsContact O-CA 3.29Å; G251-G275 WeakPolarHBondContact O-CA 3.1Å; G251-H276 PolarHBondContact N-O 3.46Å; G251-H276 PolarHBondContact O-CD2 2.78Å; G251-H276 PolarHBondContact O-N 3.02Å
252S96.9Very high93.1Very high69 Ų6978.8 Ų78.848%0.48343%0.431SS..THydrogen-bonded Turntrans-92.56.4178.1-55.40000113.8S250 D264S250-S252 PolarHBondContact O-N 3.11Å; S252-D264 PolarHBondContact O-N 2.57Å
253Y97.9Very high93.9Very high108 Ų10877.1 Ų77.142%0.42442%0.421SS..EExtended strand (participates in β ladder)trans-108.5142.9-178.9-70.3-89.1000111.8G249 S250 Y262 L263G249-Y253 CarbonylContact C-O 3.57Å; G249-Y253 WeakPolarHBondContact CA-O 3.49Å; S250-Y253 PolarHBondContact N-O 3.1Å; S250-Y253 PolarHBondContact O-N 3.25Å; Y253-Y262 VanDerWaalsContact CA-O 3.28Å; Y253-Y262 WeakPolarHBondContact CA-O 3.38Å; Y253-L263 HydrophobicContact CE1-CB 4.16Å; Y253-L263 HydrophobicContact CE1-CD1 4.16Å; Y253-L263 HydrophobicContact CE2-CD1 4.22Å
254V97.5Very high94.7Very high8 Ų873.2 Ų73.25%0.04840%0.396CS..EExtended strand (participates in β ladder)trans-126.9157.1171-63.60000110.2L246 K248 S261 Y262 D264 H276L246-V254 HydrophobicContact CD1-CB 4.14Å; L246-V254 HydrophobicContact CD1-CG1 4.45Å; L246-V254 HydrophobicContact CD1-CG2 3.8Å; L246-V254 HydrophobicContact CD2-CB 3.96Å; L246-V254 HydrophobicContact CD2-CG2 3.59Å; L246-V254 HydrophobicContact CG-CG2 4.3Å; K248-V254 CarbonylContact O-C 3.32Å; K248-V254 VanDerWaalsContact O-CA 3.27Å; K248-V254 WeakPolarHBondContact O-CA 3.31Å; V254-S261 WeakPolarHBondContact O-CA 3.38Å; V254-Y262 HydrophobicContact CG2-CD2 4.42Å; V254-Y262 PolarHBondContact N-O 3.2Å; V254-Y262 PolarHBondContact O-N 3.35Å; V254-D264 HydrophobicContact CG1-CB 4.31Å; V254-D264 HydrophobicContact CG2-CB 4.38Å; V254-H276 VanDerWaalsContact CG1-NE2 3.31Å; V254-H276 WeakPolarHBondContact CG1-NE2 3.24Å
255Y97.3Very high95Very high72 Ų7278.4 Ų78.428%0.28242%0.416SS..EExtended strand (participates in β ladder)trans-134.8140.5-175.6-49.8-97.5000110.3L246 I247 K248 N260L246-Y255 CarbonylContact C-O 3.56Å; L246-Y255 WeakPolarHBondContact CA-O 3.48Å; I247-Y255 WeakPolarHBondContact CG1-O 3.46Å; I247-Y255 PolarHBondContact N-O 2.91Å; K248-Y255 HydrophobicContact CB-CD2 4.07Å; K248-Y255 HydrophobicContact CD-CD2 4.23Å; K248-Y255 HydrophobicContact CG-CD2 4.02Å; K248-Y255 PolarHBondContact N-O 2.99Å; K248-Y255 PolarHBondContact O-N 3.11Å; Y255-N260 WeakPolarHBondContact CA-O 3.19Å
256D94.6Very high95.1Very high12 Ų1280.6 Ų80.66%0.06443%0.425CS..EExtended strand (participates in β ladder)trans-90.8-179.3175.971.17.1000112.9I244 D245 I247 E258 G259 N260 Y262I244-D256 HydrophobicContact CG2-CB 4.07Å; D245-D256 WeakPolarHBondContact O-CA 3.48Å; I247-D256 WeakPolarHBondContact CD1-O 3.21Å; I247-D256 WeakPolarHBondContact CG1-O 3.3Å; D256-E258 PolarHBondContact O-N 2.99Å; D256-E258 WeakPolarHBondContact OD1-CA 3.4Å; D256-E258 PolarHBondContact OD1-N 2.84Å; D256-G259 PolarHBondContact O-N 2.97Å; D256-G259 PolarHBondContact OD1-N 2.81Å; D256-N260 PolarHBondContact N-O 3.47Å; D256-N260 WeakPolarHBondContact OD1-CB 3.35Å; D256-N260 PolarHBondContact OD1-N 3.04Å; D256-N260 WeakPolarHBondContact OD2-CB 3.4Å; D256-N260 PolarHBondContact OD2-ND2 3.39Å; D256-Y262 HydrophobicContact CB-CE2 4.01Å; D256-Y262 PolarHBondContact OD2-OH 2.94Å
257Q85.5Confident95Very high126 Ų12678 Ų7859%0.58942%0.415SS*.THydrogen-bonded Turntrans-60.7-28.4176.5-68-76.42.800113.9D245 I247 G259D245-Q257 HydrophobicContact CB-CG 4.05Å; D245-Q257 PolarHBondContact O-N 3.12Å; D245-Q257 WeakPolarHBondContact OD2-CG 3.39Å; D245-Q257 PolarHBondContact OD2-NE2 3.32Å; I247-Q257 HydrophobicContact CG2-CG 3.74Å; Q257-G259 VanDerWaalsContact C-N 3.3Å
258E89.3Confident94.8Very high165 Ų16575.7 Ų75.777%0.77141%0.413SS*.THydrogen-bonded Turntrans-84.4-9.7-179.6-62.9-179.5179.200112.2D256 N260D256-E258 PolarHBondContact O-N 2.99Å; D256-E258 WeakPolarHBondContact OD1-CA 3.4Å; D256-E258 PolarHBondContact OD1-N 2.84Å; E258-N260 PolarHBondContact OE2-ND2 2.87Å
259G91.9Very high94.5Very high54 Ų5474.2 Ų74.256%0.55741%0.411SS*.  trans888.8-178.400000113.7D256 Q257D256-G259 PolarHBondContact O-N 2.97Å; D256-G259 PolarHBondContact OD1-N 2.81Å; Q257-G259 VanDerWaalsContact C-N 3.3Å
260N96.1Very high94.3Very high71 Ų7176.9 Ų76.938%0.3843%0.432SS..  trans-64.7141.1171.7-57.7-53.2000109.2Y255 D256 E258 Y262Y255-N260 WeakPolarHBondContact CA-O 3.19Å; D256-N260 PolarHBondContact N-O 3.47Å; D256-N260 WeakPolarHBondContact OD1-CB 3.35Å; D256-N260 PolarHBondContact OD1-N 3.04Å; D256-N260 WeakPolarHBondContact OD2-CB 3.4Å; D256-N260 PolarHBondContact OD2-ND2 3.39Å; E258-N260 PolarHBondContact OE2-ND2 2.87Å; N260-Y262 HydrophobicContact CB-CE2 3.82Å
261S97.3Very high94.1Very high75 Ų7579.3 Ų79.352%0.52444%0.443SS..EExtended strand (participates in β ladder)trans-108.7135.3179.468.30000111.4V254V254-S261 WeakPolarHBondContact O-CA 3.38Å
262Y97.2Very high94.1Very high77 Ų7779.6 Ų79.630%0.30244%0.438SS..EExtended strand (participates in β ladder)trans-123.7139.4179.8-51.7-91.8000110.5I244 L246 Y253 V254 D256 N260I244-Y262 HydrophobicContact CD1-CE1 4.33Å; I244-Y262 HydrophobicContact CG2-CE2 4.16Å; L246-Y262 HydrophobicContact CD2-CD2 4.15Å; L246-Y262 HydrophobicContact CD2-CE2 4.48Å; Y253-Y262 VanDerWaalsContact CA-O 3.28Å; Y253-Y262 WeakPolarHBondContact CA-O 3.38Å; V254-Y262 HydrophobicContact CG2-CD2 4.42Å; V254-Y262 PolarHBondContact N-O 3.2Å; V254-Y262 PolarHBondContact O-N 3.35Å; D256-Y262 HydrophobicContact CB-CE2 4.01Å; D256-Y262 PolarHBondContact OD2-OH 2.94Å; N260-Y262 HydrophobicContact CB-CE2 3.82Å
263L97.7Very high93.9Very high84 Ų8482 Ų8244%0.4445%0.446SS..EExtended strand (participates in β ladder)trans-83114.9167.2-179.662000108.7Y253 F265Y253-L263 HydrophobicContact CE1-CB 4.16Å; Y253-L263 HydrophobicContact CE1-CD1 4.16Å; Y253-L263 HydrophobicContact CE2-CD1 4.22Å; L263-F265 HydrophobicContact CB-CE2 4.33Å; L263-F265 HydrophobicContact CD2-CE2 3.52Å; L263-F265 HydrophobicContact CD2-CZ 3.62Å; L263-F265 HydrophobicContact CG-CD2 4.27Å; L263-F265 HydrophobicContact CG-CE2 3.68Å; L263-F265 HydrophobicContact CG-CZ 4.12Å
264D96.6Very high93.8Very high30 Ų3082.3 Ų82.316%0.1645%0.454CS..  trans-85.3112-175.3179.719.8000112.1S252 V254 M266 S267 H276S252-D264 PolarHBondContact O-N 2.57Å; V254-D264 HydrophobicContact CG1-CB 4.31Å; V254-D264 HydrophobicContact CG2-CB 4.38Å; D264-M266 WeakPolarHBondContact OD1-CA 3.16Å; D264-M266 WeakPolarHBondContact OD1-CB 3.14Å; D264-M266 PolarHBondContact OD1-N 3.32Å; D264-S267 PolarHBondContact OD1-N 2.8Å; D264-S267 VanDerWaalsContact OD2-CA 3.25Å; D264-S267 WeakPolarHBondContact OD2-CA 3.34Å; D264-S267 PolarHBondContact OD2-N 3.23Å; D264-S267 VanDerWaalsContact OD2-N 3.08Å; D264-H276 IonicContact OD2-CD2 3.73Å; D264-H276 IonicContact OD2-CE1 3.57Å; D264-H276 IonicContact OD2-NE2 2.69Å; D264-H276 PolarHBondContact OD2-NE2 3.47Å
265F94Very high93.8Very high179 Ų17982.9 Ų82.979%0.78546%0.461SS*.SBendtrans-97.6-1.8171.3-72.7-85.3000113.7L263L263-F265 HydrophobicContact CB-CE2 4.33Å; L263-F265 HydrophobicContact CD2-CE2 3.52Å; L263-F265 HydrophobicContact CD2-CZ 3.62Å; L263-F265 HydrophobicContact CG-CD2 4.27Å; L263-F265 HydrophobicContact CG-CE2 3.68Å; L263-F265 HydrophobicContact CG-CZ 4.12Å
266M91.2Very high93.7Very high133 Ų13381 Ų8166%0.65546%0.455SS*.SBendtrans-95.9-31.9-177.5-66.4-63.8-69.100112.6D264 G268 I269 A270D264-M266 WeakPolarHBondContact OD1-CA 3.16Å; D264-M266 WeakPolarHBondContact OD1-CB 3.14Å; D264-M266 PolarHBondContact OD1-N 3.32Å; M266-G268 PolarHBondContact O-N 2.8Å; M266-G268 VanDerWaalsContact O-N 3.16Å; M266-I269 PolarHBondContact O-N 3.18Å; M266-A270 PolarHBondContact O-N 3.16Å; M266-A270 VanDerWaalsContact O-N 3.08Å
267S92.6Very high93.8Very high36 Ų3685 Ų8525%0.25248%0.477SS..Hα-helixtrans50.537.7-175.5-59.60000112.6D264 I269 A270 V271 T272D264-S267 PolarHBondContact OD1-N 2.8Å; D264-S267 VanDerWaalsContact OD2-CA 3.25Å; D264-S267 WeakPolarHBondContact OD2-CA 3.34Å; D264-S267 PolarHBondContact OD2-N 3.23Å; D264-S267 VanDerWaalsContact OD2-N 3.08Å; S267-I269 PolarHBondContact O-N 2.98Å; S267-A270 CarbonylContact O-C 3.51Å; S267-A270 WeakPolarHBondContact O-CA 3.49Å; S267-A270 PolarHBondContact O-N 2.99Å; S267-A270 VanDerWaalsContact O-N 3.11Å; S267-V271 PolarHBondContact O-N 3.11Å; S267-T272 VanDerWaalsContact CA-OG1 3.24Å; S267-T272 WeakPolarHBondContact CA-OG1 3.37Å; S267-T272 PolarHBondContact O-N 3.47Å; S267-T272 PolarHBondContact O-OG1 2.79Å; S267-T272 VanDerWaalsContact O-OG1 3.13Å
268G91Very high94.4Very high42 Ų4281.2 Ų81.243%0.43346%0.46SS..Hα-helixtrans55.945.4-175.800000113.7M266 V271M266-G268 PolarHBondContact O-N 2.8Å; M266-G268 VanDerWaalsContact O-N 3.16Å; G268-V271 WeakPolarHBondContact O-CB 3.21Å; G268-V271 WeakPolarHBondContact O-CG2 3.28Å; G268-V271 PolarHBondContact O-N 2.91Å
269I91.5Very high94.8Very high107 Ų10778.2 Ų78.255%0.54946%0.455SS..Hα-helixtrans61.752.5-171.1-44.3172.6000110M266 S267 V271M266-I269 PolarHBondContact O-N 3.18Å; S267-I269 PolarHBondContact O-N 2.98Å; I269-V271 PolarHBondContact O-N 2.88Å
270A91.2Very high95Very high69 Ų6983.8 Ų83.857%0.5746%0.464SS*.Hα-helixtrans60.88-178.300000116.7M266 S267M266-A270 PolarHBondContact O-N 3.16Å; M266-A270 VanDerWaalsContact O-N 3.08Å; S267-A270 CarbonylContact O-C 3.51Å; S267-A270 WeakPolarHBondContact O-CA 3.49Å; S267-A270 PolarHBondContact O-N 2.99Å; S267-A270 VanDerWaalsContact O-N 3.11Å
271V93.8Very high95.1Very high114 Ų11483.6 Ų83.669%0.69147%0.465SS*.THydrogen-bonded Turntrans-67.3-40.8176.3174.30000112.2S267 G268 I269 N273S267-V271 PolarHBondContact O-N 3.11Å; G268-V271 WeakPolarHBondContact O-CB 3.21Å; G268-V271 WeakPolarHBondContact O-CG2 3.28Å; G268-V271 PolarHBondContact O-N 2.91Å; I269-V271 PolarHBondContact O-N 2.88Å; V271-N273 VanDerWaalsContact C-N 3.35Å; V271-N273 PolarHBondContact O-N 3.16Å
272T94.6Very high95.1Very high40 Ų4084 Ų8425%0.24546%0.46CS..THydrogen-bonded Turntrans-97.837.3-17759.60000112.7S267 L274 G275 H276S267-T272 VanDerWaalsContact CA-OG1 3.24Å; S267-T272 WeakPolarHBondContact CA-OG1 3.37Å; S267-T272 PolarHBondContact O-N 3.47Å; S267-T272 PolarHBondContact O-OG1 2.79Å; S267-T272 VanDerWaalsContact O-OG1 3.13Å; T272-L274 PolarHBondContact O-N 3.11Å; T272-L274 VanDerWaalsContact O-N 3.1Å; T272-G275 WeakPolarHBondContact O-CA 3.45Å; T272-G275 PolarHBondContact O-N 3.06Å; T272-H276 PolarHBondContact OG1-CE1 3.23Å
273N93.7Very high95.1Very high121 Ų12186 Ų8665%0.64747%0.472SS*.THydrogen-bonded Turntrans-61.5-18.7-175.567.3-14.5000115.7V271V271-N273 VanDerWaalsContact C-N 3.35Å; V271-N273 PolarHBondContact O-N 3.16Å
274L96Very high95.1Very high114 Ų11484.6 Ų84.660%0.59747%0.473SS*.THydrogen-bonded Turntrans-84.44.7171.2-64.9177.4000113.2T272 N278 V281T272-L274 PolarHBondContact O-N 3.11Å; T272-L274 VanDerWaalsContact O-N 3.1Å; L274-N278 PolarHBondContact O-ND2 3.23Å; L274-V281 HydrophobicContact CD1-CG2 3.96Å
275G96Very high95.1Very high19 Ų1987.7 Ų87.720%0.19649%0.489CS..  trans87.2152.4-171.500000112.6G251 T272G251-G275 CarbonylContact O-C 3.6Å; G251-G275 VanDerWaalsContact O-CA 3.29Å; G251-G275 WeakPolarHBondContact O-CA 3.1Å; T272-G275 WeakPolarHBondContact O-CA 3.45Å; T272-G275 PolarHBondContact O-N 3.06Å
276H96.9Very high95.3Very high34 Ų3482 Ų8216%0.15747%0.474CS..BIsolated β-bridgetrans-62.7136.4173.6-65.4-79.2000110.7G249 S250 G251 V254 D264 T272 N278G249-H276 VanDerWaalsContact C-CB 3.47Å; S250-H276 CarbonylContact C-O 3.53Å; S250-H276 WeakPolarHBondContact CA-O 3.28Å; G251-H276 PolarHBondContact N-O 3.46Å; G251-H276 PolarHBondContact O-CD2 2.78Å; G251-H276 PolarHBondContact O-N 3.02Å; V254-H276 VanDerWaalsContact CG1-NE2 3.31Å; V254-H276 WeakPolarHBondContact CG1-NE2 3.24Å; D264-H276 IonicContact OD2-CD2 3.73Å; D264-H276 IonicContact OD2-CE1 3.57Å; D264-H276 IonicContact OD2-NE2 2.69Å; D264-H276 PolarHBondContact OD2-NE2 3.47Å; T272-H276 PolarHBondContact OG1-CE1 3.23Å; H276-N278 VanDerWaalsContact C-N 3.27Å; H276-N278 PolarHBondContact O-N 2.74Å
277N96.3Very high95.6Very high96 Ų9680.3 Ų80.351%0.51347%0.465SS..THydrogen-bonded Turntrans52.242175.2-165.731.4000113.5G249 P279 M282G249-N277 WeakPolarHBondContact O-CB 3.16Å; N277-P279 VanDerWaalsContact O-CD 3.3Å; N277-P279 WeakPolarHBondContact O-CD 3.43Å; N277-P279 VanDerWaalsContact O-N 3.17Å; N277-M282 VanDerWaalsContact OD1-CG 3.32Å; N277-M282 WeakPolarHBondContact OD1-CG 3.49Å
278N97.1Very high95.8Very high45 Ų4581.7 Ų81.724%0.24147%0.468CS..  trans-57.9118.1-178.6-176-65.4000111.1L274 H276 K280 V281 M282L274-N278 PolarHBondContact O-ND2 3.23Å; H276-N278 VanDerWaalsContact C-N 3.27Å; H276-N278 PolarHBondContact O-N 2.74Å; N278-K280 VanDerWaalsContact C-N 3.27Å; N278-K280 PolarHBondContact O-N 3.02Å; N278-K280 VanDerWaalsContact O-N 3.11Å; N278-K280 PolarHBondContact OD1-N 3.17Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å; N278-V281 HydrophobicContact CB-CB 4.18Å; N278-V281 HydrophobicContact CB-CG2 4Å; N278-V281 PolarHBondContact O-N 2.96Å; N278-V281 PolarHBondContact OD1-N 2.65Å; N278-M282 WeakPolarHBondContact O-CG 3.48Å; N278-M282 PolarHBondContact O-N 2.83Å
279P97.3Very high96.1Very high102 Ų10281.5 Ų81.566%0.66246%0.462SS*.Hα-helixtrans-57-35.7-171.1-29.335.6000114.7N277 Q283N277-P279 VanDerWaalsContact O-CD 3.3Å; N277-P279 WeakPolarHBondContact O-CD 3.43Å; N277-P279 VanDerWaalsContact O-N 3.17Å; P279-Q283 VanDerWaalsContact O-CB 3.3Å; P279-Q283 WeakPolarHBondContact O-CB 3.17Å; P279-Q283 PolarHBondContact O-N 2.91Å
280K97.7Very high96.4Very high171 Ų17183.4 Ų83.474%0.74347%0.473SS*.Hα-helixtrans-70.1-40.7179.8-67-176.3178.6179.30111.9N278 A284N278-K280 VanDerWaalsContact C-N 3.27Å; N278-K280 PolarHBondContact O-N 3.02Å; N278-K280 VanDerWaalsContact O-N 3.11Å; N278-K280 PolarHBondContact OD1-N 3.17Å; N278-K280 VanDerWaalsContact OD1-N 3.12Å; K280-A284 WeakPolarHBondContact O-CB 3.32Å; K280-A284 PolarHBondContact O-N 2.89Å
281V96.9Very high96.7Very high67 Ų6787.4 Ų87.441%0.40648%0.478SS..Hα-helixtrans-68.4-45.1178.21790000110L274 N278 Q283 A284 L285L274-V281 HydrophobicContact CD1-CG2 3.96Å; N278-V281 HydrophobicContact CB-CB 4.18Å; N278-V281 HydrophobicContact CB-CG2 4Å; N278-V281 PolarHBondContact O-N 2.96Å; N278-V281 PolarHBondContact OD1-N 2.65Å; V281-Q283 PolarHBondContact O-N 3Å; V281-A284 PolarHBondContact O-N 3.42Å; V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 PolarHBondContact O-N 3.29Å
282M97.7Very high96.7Very high83 Ų8386.3 Ų86.341%0.40947%0.467SS..Hα-helixtrans-63.9-42.4-179.5-65-53.9-60.300112.5N277 N278 L285 A286N277-M282 VanDerWaalsContact OD1-CG 3.32Å; N277-M282 WeakPolarHBondContact OD1-CG 3.49Å; N278-M282 WeakPolarHBondContact O-CG 3.48Å; N278-M282 PolarHBondContact O-N 2.83Å; M282-L285 PolarHBondContact O-N 3.34Å; M282-A286 WeakPolarHBondContact O-CB 3.43Å; M282-A286 PolarHBondContact O-N 2.93Å
283Q98.2Very high96.7Very high119 Ų11994.5 Ų94.556%0.55649%0.494SS*.Hα-helixtrans-60.3-49.8174.5-179.2-179.4-5.800111.3P279 V281 L285 A286 E287P279-Q283 VanDerWaalsContact O-CB 3.3Å; P279-Q283 WeakPolarHBondContact O-CB 3.17Å; P279-Q283 PolarHBondContact O-N 2.91Å; V281-Q283 PolarHBondContact O-N 3Å; Q283-L285 VanDerWaalsContact C-N 3.29Å; Q283-L285 PolarHBondContact O-N 2.93Å; Q283-A286 PolarHBondContact O-N 3.39Å; Q283-E287 HydrophobicContact CG-CG 4.37Å; Q283-E287 VanDerWaalsContact CG-OE1 3.26Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.35Å; Q283-E287 PolarHBondContact NE2-OE1 3.2Å; Q283-E287 WeakPolarHBondContact O-CB 3.4Å; Q283-E287 WeakPolarHBondContact O-CG 3.43Å; Q283-E287 PolarHBondContact O-N 3.4Å
284A97Very high96.7Very high56 Ų5695.5 Ų95.546%0.46349%0.494SS..Hα-helixtrans-60.7-39.1179.800000112.4K280 V281 Q288K280-A284 WeakPolarHBondContact O-CB 3.32Å; K280-A284 PolarHBondContact O-N 2.89Å; V281-A284 PolarHBondContact O-N 3.42Å; A284-Q288 WeakPolarHBondContact O-CB 3.48Å; A284-Q288 PolarHBondContact O-N 3.05Å; A284-Q288 VanDerWaalsContact O-N 3.12Å
285L96.8Very high96.5Very high95 Ų9592.3 Ų92.350%0.49748%0.481SS..Hα-helixtrans-65.9-47.3176.5-174.2148.4000111.5V281 M282 Q283 Q288 A289V281-L285 WeakPolarHBondContact O-CB 3.44Å; V281-L285 PolarHBondContact O-N 3.29Å; M282-L285 PolarHBondContact O-N 3.34Å; Q283-L285 VanDerWaalsContact C-N 3.29Å; Q283-L285 PolarHBondContact O-N 2.93Å; L285-Q288 PolarHBondContact O-N 2.85Å; L285-A289 VanDerWaalsContact O-CB 3.28Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.11Å
286A97.9Very high96.4Very high58 Ų5893.4 Ų93.448%0.47949%0.486SS..Hα-helixtrans-62.4-45.9179.300000112M282 Q283 Q288 A289 D290M282-A286 WeakPolarHBondContact O-CB 3.43Å; M282-A286 PolarHBondContact O-N 2.93Å; Q283-A286 PolarHBondContact O-N 3.39Å; A286-Q288 VanDerWaalsContact C-N 3.3Å; A286-Q288 PolarHBondContact O-N 2.82Å; A286-A289 PolarHBondContact O-N 3.2Å; A286-D290 PolarHBondContact O-N 3.44Å
287E98.1Very high96.2Very high99 Ų9998.8 Ų98.846%0.46352%0.516SS..Hα-helixtrans-62-35.4177.4-73.6176.6-170.200112.9Q283 K291Q283-E287 HydrophobicContact CG-CG 4.37Å; Q283-E287 VanDerWaalsContact CG-OE1 3.26Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.35Å; Q283-E287 PolarHBondContact NE2-OE1 3.2Å; Q283-E287 WeakPolarHBondContact O-CB 3.4Å; Q283-E287 WeakPolarHBondContact O-CG 3.43Å; Q283-E287 PolarHBondContact O-N 3.4Å; E287-K291 WeakPolarHBondContact O-CG 3.45Å
288Q96.8Very high96.2Very high65 Ų65101.4 Ų101.430%0.30453%0.529SS..Hα-helixtrans-76.9-42.2177.4-178.854.244.500111.8A284 L285 A286 D290 K291 I292A284-Q288 WeakPolarHBondContact O-CB 3.48Å; A284-Q288 PolarHBondContact O-N 3.05Å; A284-Q288 VanDerWaalsContact O-N 3.12Å; L285-Q288 PolarHBondContact O-N 2.85Å; A286-Q288 VanDerWaalsContact C-N 3.3Å; A286-Q288 PolarHBondContact O-N 2.82Å; Q288-D290 VanDerWaalsContact C-N 3.28Å; Q288-D290 PolarHBondContact O-N 3Å; Q288-K291 WeakPolarHBondContact O-CB 3.19Å; Q288-K291 PolarHBondContact O-N 3.11Å; Q288-K291 VanDerWaalsContact O-N 3.07Å; Q288-I292 PolarHBondContact NE2-O 3.05Å; Q288-I292 PolarHBondContact O-N 3.04Å; Q288-I292 VanDerWaalsContact O-O 3.13Å
289A96.8Very high96.1Very high37 Ų37107 Ų10731%0.30655%0.548SS..Hα-helixtrans-61.5-35.7178.900000112.5L285 A286 K291 W293L285-A289 VanDerWaalsContact O-CB 3.28Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.11Å; A286-A289 PolarHBondContact O-N 3.2Å; A289-K291 VanDerWaalsContact C-N 3.28Å; A289-K291 PolarHBondContact O-N 2.93Å; A289-W293 HydrophobicContact CB-CE3 3.82Å; A289-W293 HydrophobicContact CB-CZ3 3.97Å
290D97.5Very high96.1Very high148 Ų148109.3 Ų109.379%0.79156%0.56SS**Hα-helixtrans-65.7-28.9174.5-170.464.4000112.8A286 Q288A286-D290 PolarHBondContact O-N 3.44Å; Q288-D290 VanDerWaalsContact C-N 3.28Å; Q288-D290 PolarHBondContact O-N 3Å
291K97Very high95.9Very high153 Ų153103.4 Ų103.467%0.66554%0.537SS*.Hα-helixtrans-81.5-57.1176.6-65.6169.5-171.9168.20111.9E287 Q288 A289E287-K291 WeakPolarHBondContact O-CG 3.45Å; Q288-K291 WeakPolarHBondContact O-CB 3.19Å; Q288-K291 PolarHBondContact O-N 3.11Å; Q288-K291 VanDerWaalsContact O-N 3.07Å; A289-K291 VanDerWaalsContact C-N 3.28Å; A289-K291 PolarHBondContact O-N 2.93Å
292I94.9Very high95.9Very high91 Ų91106.4 Ų106.447%0.46755%0.546SS..  trans-162.9128.5179-173.9168.2000110.4Q288Q288-I292 PolarHBondContact NE2-O 3.05Å; Q288-I292 PolarHBondContact O-N 3.04Å; Q288-I292 VanDerWaalsContact O-O 3.13Å
293W93.6Very high95.7Very high212 Ų212105.7 Ų105.780%0.80354%0.544SS*.SBendtrans-74.1-41.8-179.5-176.8-104.4000113.5A289A289-W293 HydrophobicContact CB-CE3 3.82Å; A289-W293 HydrophobicContact CB-CZ3 3.97Å
294H93.9Very high95.6Very high142 Ų142102.9 Ų102.966%0.65753%0.53SS*.  trans-149.4135.9-176.1178.870.2000111.8
295S92.8Very high95.6Very high46 Ų46106.3 Ų106.332%0.32254%0.537SS..  trans-124.9142.5162.761.30000109.1
296S94Very high95.6Very high43 Ų43106.4 Ų106.430%0.30154%0.535SS..  trans-75.9162.5176.270.40000111.1L298 Y299S296-L298 PolarHBondContact O-N 3.44Å; S296-Y299 PolarHBondContact O-N 3.43Å
297N92.5Very high95.5Very high147 Ų147107 Ų10779%0.78653%0.532SS*.THydrogen-bonded Turntrans-66.72.8176.1-62.6-20.4000114Y299N297-Y299 VanDerWaalsContact C-N 3.28Å
298L95.4Very high95.5Very high151 Ų151103 Ų10379%0.79152%0.516SS*.THydrogen-bonded Turntrans-79.2-13.3176-61.7176.8000112.7S296S296-L298 PolarHBondContact O-N 3.44Å
299Y96Very high95.4Very high163 Ų163106.2 Ų106.264%0.63953%0.531SS*.SBendtrans-117.7149.3-176.9-55.9-78.1000110.5S296 N297S296-Y299 PolarHBondContact O-N 3.43Å; N297-Y299 VanDerWaalsContact C-N 3.28Å
300T95.9Very high95.5Very high150 Ų150112 Ų11292%0.9255%0.549SS*.  trans-67.3142.5175.951.70000111.1
301N95.4Very high95.4Very high46 Ų46110.2 Ų110.225%0.24654%0.539CS..  trans-133.5102.6180-175.3-23.3000110.5L303 Q304 E305N301-L303 VanDerWaalsContact C-N 3.27Å; N301-L303 PolarHBondContact O-N 2.72Å; N301-L303 WeakPolarHBondContact OD1-CB 3.37Å; N301-L303 PolarHBondContact OD1-N 3.48Å; N301-Q304 HydrophobicContact CB-CB 3.77Å; N301-Q304 WeakPolarHBondContact O-CB 3.38Å; N301-Q304 PolarHBondContact O-N 2.84Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; N301-Q304 PolarHBondContact OD1-N 2.57Å; N301-E305 PolarHBondContact O-N 3.11Å; N301-E305 VanDerWaalsContact O-N 3.1Å
302H95.2Very high95.4Very high130 Ų130104 Ų10460%0.60251%0.514SS*.Hα-helixtrans-63.5-29.6-178.965.8-84.9000113.5Q306H302-Q306 VanDerWaalsContact O-CG 3.28Å; H302-Q306 WeakPolarHBondContact O-CG 3.35Å; H302-Q306 PolarHBondContact O-N 3.12Å; H302-Q306 VanDerWaalsContact O-N 3.09Å
303L95.2Very high95.3Very high68 Ų68107.3 Ų107.336%0.35653%0.525SS..Hα-helixtrans-70-40.2174.8-62.8177.3000110.8N301 Q306 V307N301-L303 VanDerWaalsContact C-N 3.27Å; N301-L303 PolarHBondContact O-N 2.72Å; N301-L303 WeakPolarHBondContact OD1-CB 3.37Å; N301-L303 PolarHBondContact OD1-N 3.48Å; L303-Q306 PolarHBondContact O-N 2.9Å; L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.15Å
304Q95.4Very high95.1Very high60 Ų60106.4 Ų106.428%0.2853%0.53SS..Hα-helixtrans-60.7-44.3175.2-172176.835.400111.4N301 V307 A308 F321N301-Q304 HydrophobicContact CB-CB 3.77Å; N301-Q304 WeakPolarHBondContact O-CB 3.38Å; N301-Q304 PolarHBondContact O-N 2.84Å; N301-Q304 VanDerWaalsContact O-N 3.14Å; N301-Q304 PolarHBondContact OD1-N 2.57Å; Q304-V307 PolarHBondContact O-N 3.19Å; Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.85Å; Q304-F321 HydrophobicContact CG-CD2 3.64Å; Q304-F321 HydrophobicContact CG-CE2 3.42Å; Q304-F321 VanDerWaalsContact CG-CE2 3.42Å; Q304-F321 HydrophobicContact CG-CG 4.34Å; Q304-F321 HydrophobicContact CG-CZ 3.97Å; Q304-F321 VanDerWaalsContact NE2-CD2 3.31Å
305E95.8Very high95Very high128 Ų128105.2 Ų105.260%0.59852%0.523SS*.Hα-helixtrans-60.9-45.4175.3-65.5-60.9156.800112N301 V307 A308 E309N301-E305 PolarHBondContact O-N 3.11Å; N301-E305 VanDerWaalsContact O-N 3.1Å; E305-V307 VanDerWaalsContact C-N 3.31Å; E305-V307 PolarHBondContact O-N 2.72Å; E305-A308 WeakPolarHBondContact O-CB 3.23Å; E305-A308 PolarHBondContact O-N 2.57Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 3.47Å
306Q97.1Very high95.1Very high98 Ų98111 Ų11146%0.45855%0.55SS..Hα-helixtrans-61.3-38177.2-73.8174.128.100112.7H302 L303 K310H302-Q306 VanDerWaalsContact O-CG 3.28Å; H302-Q306 WeakPolarHBondContact O-CG 3.35Å; H302-Q306 PolarHBondContact O-N 3.12Å; H302-Q306 VanDerWaalsContact O-N 3.09Å; L303-Q306 PolarHBondContact O-N 2.9Å; Q306-K310 WeakPolarHBondContact O-CG 3.12Å; Q306-K310 PolarHBondContact O-N 2.99Å
307V96.5Very high95.1Very high69 Ų69114.3 Ų114.342%0.41856%0.557SS.*Hα-helixtrans-72.9-40175.7179.30000110.6L303 Q304 E305 E309 K310 L311 F321L303-V307 WeakPolarHBondContact O-CG2 3.33Å; L303-V307 PolarHBondContact O-N 3.15Å; Q304-V307 PolarHBondContact O-N 3.19Å; E305-V307 VanDerWaalsContact C-N 3.31Å; E305-V307 PolarHBondContact O-N 2.72Å; V307-E309 PolarHBondContact O-N 2.81Å; V307-K310 PolarHBondContact O-N 2.96Å; V307-L311 HydrophobicContact CG1-CD1 3.97Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.47Å; V307-L311 PolarHBondContact O-N 3.03Å; V307-F321 HydrophobicContact CB-CE1 4.27Å; V307-F321 HydrophobicContact CB-CZ 4.13Å; V307-F321 HydrophobicContact CG1-CE1 3.82Å; V307-F321 HydrophobicContact CG1-CZ 4.03Å
308A97Very high95.2Very high15 Ų15115.5 Ų115.512%0.12456%0.562CS.*Hα-helixtrans-58.7-48.317700000111.1Q304 E305 K310 L311 T312 A319 F321Q304-A308 WeakPolarHBondContact O-CB 3.18Å; Q304-A308 PolarHBondContact O-N 2.85Å; E305-A308 WeakPolarHBondContact O-CB 3.23Å; E305-A308 PolarHBondContact O-N 2.57Å; A308-K310 VanDerWaalsContact C-N 3.31Å; A308-K310 PolarHBondContact O-N 3.39Å; A308-L311 PolarHBondContact O-N 3.24Å; A308-T312 WeakPolarHBondContact O-CG2 3.37Å; A308-T312 PolarHBondContact O-N 2.92Å; A308-T312 PolarHBondContact O-OG1 2.62Å; A308-A319 HydrophobicContact CB-CB 3.87Å; A308-F321 HydrophobicContact CB-CE2 4.05Å; A308-F321 HydrophobicContact CB-CZ 4.16Å
309E96.5Very high95.2Very high134 Ų134110.2 Ų110.263%0.62654%0.54SS*.Hα-helixtrans-55.8-43.9176.3-176.1-180-158.400112.1E305 V307 L311 T312 K313E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 3.47Å; V307-E309 PolarHBondContact O-N 2.81Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 3.32Å; E309-T312 PolarHBondContact O-N 3.41Å; E309-T312 PolarHBondContact O-OG1 2.92Å; E309-K313 PolarHBondContact O-N 2.8Å; E309-K313 VanDerWaalsContact O-N 3.08Å
310K97.5Very high95.2Very high158 Ų158108.7 Ų108.769%0.68754%0.537SS*.Hα-helixtrans-65-33.7176.4-72.2178-176.7-171.30113.2Q306 V307 A308 K313Q306-K310 WeakPolarHBondContact O-CG 3.12Å; Q306-K310 PolarHBondContact O-N 2.99Å; V307-K310 PolarHBondContact O-N 2.96Å; A308-K310 VanDerWaalsContact C-N 3.31Å; A308-K310 PolarHBondContact O-N 3.39Å; K310-K313 WeakPolarHBondContact O-CG 3.46Å
311L96Very high95.2Very high111 Ų111105.4 Ų105.458%0.58151%0.51SS*.Hα-helixtrans-76.6-39.3178.9-70.2170.6000111.8V307 A308 E309 A319 F321V307-L311 HydrophobicContact CG1-CD1 3.97Å; V307-L311 HydrophobicContact CG1-CG 4.33Å; V307-L311 WeakPolarHBondContact O-CG 3.47Å; V307-L311 PolarHBondContact O-N 3.03Å; A308-L311 PolarHBondContact O-N 3.24Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 3.32Å; L311-A319 HydrophobicContact CD1-CB 4.46Å; L311-F321 HydrophobicContact CD1-CE1 4.24Å; L311-F321 HydrophobicContact CD1-CZ 4.29Å
312T96.4Very high95.2Very high22 Ų22105.3 Ų105.314%0.13551%0.513CS..Hα-helixtrans-76.2-23.9-178.1600000112.5A308 E309 E314 K315 Y317A308-T312 WeakPolarHBondContact O-CG2 3.37Å; A308-T312 PolarHBondContact O-N 2.92Å; A308-T312 PolarHBondContact O-OG1 2.62Å; E309-T312 PolarHBondContact O-N 3.41Å; E309-T312 PolarHBondContact O-OG1 2.92Å; T312-E314 VanDerWaalsContact C-N 3.31Å; T312-E314 PolarHBondContact O-N 3.39Å; T312-K315 VanDerWaalsContact O-CB 3.3Å; T312-K315 WeakPolarHBondContact O-CB 3.38Å; T312-K315 PolarHBondContact O-N 2.89Å; T312-Y317 WeakPolarHBondContact CG2-O 3.29Å
313K93.1Very high95.2Very high160 Ų160106.4 Ų106.470%0.69652%0.523SS*.THydrogen-bonded Turntrans52.546.8174.2-59.4-179.2179.3179.10112.5E309 K310 K315E309-K313 PolarHBondContact O-N 2.8Å; E309-K313 VanDerWaalsContact O-N 3.08Å; K310-K313 WeakPolarHBondContact O-CG 3.46Å; K313-K315 PolarHBondContact O-N 2.94Å
314E89.7Confident95.2Very high193 Ų193105.4 Ų105.490%0.90252%0.522SS*.THydrogen-bonded Turntrans61.29.7-179.6-54176.2-17700115T312T312-E314 VanDerWaalsContact C-N 3.31Å; T312-E314 PolarHBondContact O-N 3.39Å
315K92.1Very high95.2Very high117 Ų117105 Ų10551%0.50953%0.534SS..SBendtrans-79.1158.1168.9-58.8-177.8176.6-172.80109.6T312 K313 Y317T312-K315 VanDerWaalsContact O-CB 3.3Å; T312-K315 WeakPolarHBondContact O-CB 3.38Å; T312-K315 PolarHBondContact O-N 2.89Å; K313-K315 PolarHBondContact O-N 2.94Å; K315-Y317 HydrophobicContact CB-CD1 4.34Å; K315-Y317 HydrophobicContact CB-CD2 3.99Å; K315-Y317 HydrophobicContact CB-CE2 4.22Å; K315-Y317 HydrophobicContact CB-CG 4.03Å; K315-Y317 HydrophobicContact CD-CD2 4.04Å; K315-Y317 HydrophobicContact CD-CE2 3.57Å; K315-Y317 PolarHBondContact O-N 3.35Å
316D93.7Very high95.3Very high167 Ų167100.5 Ų100.589%0.89352%0.515SS*.SBendtrans-72.958.6172.3-172.523.7000111.6
317Y93.9Very high95.4Very high114 Ų11499.5 Ų99.545%0.44751%0.511SS..  trans-118.4153.8179.3-68.6-10000109.8T312 K315 M427T312-Y317 WeakPolarHBondContact CG2-O 3.29Å; K315-Y317 HydrophobicContact CB-CD1 4.34Å; K315-Y317 HydrophobicContact CB-CD2 3.99Å; K315-Y317 HydrophobicContact CB-CE2 4.22Å; K315-Y317 HydrophobicContact CB-CG 4.03Å; K315-Y317 HydrophobicContact CD-CD2 4.04Å; K315-Y317 HydrophobicContact CD-CE2 3.57Å; K315-Y317 PolarHBondContact O-N 3.35Å; Y317-M427 PolarHBondContact OH-SD 3.02Å
318L95.1Very high95.5Very high172 Ų17298.2 Ų98.290%0.90151%0.507SS*.  trans-116.3147.3169.2-61.8176000109.2
319A95.8Very high95.5Very high40 Ų4099.6 Ų99.633%0.33151%0.513SS..  trans-96.6137.4176.300000111A308 L311 F321A308-A319 HydrophobicContact CB-CB 3.87Å; L311-A319 HydrophobicContact CD1-CB 4.46Å; A319-F321 HydrophobicContact CB-CE2 3.89Å; A319-F321 HydrophobicContact CB-CZ 4.28Å
320F95.8Very high95.6Very high131 Ų13195.3 Ų95.358%0.57549%0.492SS*.  trans-111.7122168.8173.1-106.2000109C322 A331F320-C322 HydrophobicContact CD1-CB 4.24Å; F320-C322 HydrophobicContact CE1-CB 3.55Å; F320-C322 HydrophobicContact CZ-CB 4.06Å; F320-A331 HydrophobicContact CD1-CB 3.64Å; F320-A331 HydrophobicContact CE1-CB 3.5Å; F320-A331 VanDerWaalsContact CE1-CB 3.5Å; F320-A331 HydrophobicContact CG-CB 4.47Å; F320-A331 HydrophobicContact CZ-CB 4.24Å
321F95.5Very high95.7Very high80 Ų8088.6 Ų88.635%0.35147%0.467SS..  trans-97.6131179.6-66.4-90.5000110.4Q304 V307 A308 L311 A319Q304-F321 HydrophobicContact CG-CD2 3.64Å; Q304-F321 HydrophobicContact CG-CE2 3.42Å; Q304-F321 VanDerWaalsContact CG-CE2 3.42Å; Q304-F321 HydrophobicContact CG-CG 4.34Å; Q304-F321 HydrophobicContact CG-CZ 3.97Å; Q304-F321 VanDerWaalsContact NE2-CD2 3.31Å; V307-F321 HydrophobicContact CB-CE1 4.27Å; V307-F321 HydrophobicContact CB-CZ 4.13Å; V307-F321 HydrophobicContact CG1-CE1 3.82Å; V307-F321 HydrophobicContact CG1-CZ 4.03Å; A308-F321 HydrophobicContact CB-CE2 4.05Å; A308-F321 HydrophobicContact CB-CZ 4.16Å; L311-F321 HydrophobicContact CD1-CE1 4.24Å; L311-F321 HydrophobicContact CD1-CZ 4.29Å; A319-F321 HydrophobicContact CB-CE2 3.89Å; A319-F321 HydrophobicContact CB-CZ 4.28Å
322C95.5Very high95.8Very high45 Ų4585.7 Ų85.730%0.30446%0.458SS..  trans-150.1172.6-179.859.40000110.4F320 E327 A328F320-C322 HydrophobicContact CD1-CB 4.24Å; F320-C322 HydrophobicContact CE1-CB 3.55Å; F320-C322 HydrophobicContact CZ-CB 4.06Å; C322-E327 HydrophobicContact CB-CB 3.84Å; C322-E327 WeakPolarHBondContact CB-OE2 3.4Å; C322-A328 PolarHBondContact SG-N 3.03Å
323N95.2Very high95.9Very high153 Ų15385 Ų8582%0.81845%0.454SS*.SBendtrans-91-14.1-168.9-62.2-53000113.6E327N323-E327 PolarHBondContact N-OE2 3.04Å
324S96.3Very high96.1Very high46 Ų4684.1 Ų84.132%0.32245%0.45SS..SBendtrans-151.9159.2-174.4670000113.1T326 E327 A328S324-T326 VanDerWaalsContact C-N 3.27Å; S324-T326 PolarHBondContact O-N 2.84Å; S324-T326 WeakPolarHBondContact OG-CG2 3.43Å; S324-E327 PolarHBondContact O-N 3.16Å; S324-E327 WeakPolarHBondContact OG-CG 3.42Å; S324-E327 PolarHBondContact OG-N 3.08Å; S324-A328 PolarHBondContact O-N 2.69Å; S324-A328 VanDerWaalsContact O-N 3.12Å
325G95.5Very high96.5Very high53 Ų5380 Ų8055%0.54643%0.434SS..Hα-helixtrans-62-33174.700000113.4A328 N329G325-A328 WeakPolarHBondContact O-CB 3.37Å; G325-A328 PolarHBondContact O-N 3.42Å; G325-N329 PolarHBondContact O-N 3.42Å
326T97.9Very high96.8Very high32 Ų3275.4 Ų75.420%0.19642%0.417CS..Hα-helixtrans-67.9-39.1176.9-158.40000111.2S324 N329 E330 R355 T356 A359S324-T326 VanDerWaalsContact C-N 3.27Å; S324-T326 PolarHBondContact O-N 2.84Å; S324-T326 WeakPolarHBondContact OG-CG2 3.43Å; T326-N329 PolarHBondContact O-N 3.08Å; T326-E330 WeakPolarHBondContact O-CG 3.48Å; T326-E330 PolarHBondContact O-N 3.04Å; T326-R355 PolarHBondContact OG1-N 2.87Å; T326-T356 HydrophobicContact CG2-CG2 3.78Å; T326-T356 PolarHBondContact OG1-OG1 2.93Å; T326-A359 WeakPolarHBondContact OG1-CB 3.29Å
327E98.2Very high97Very high78 Ų7870 Ų7036%0.36439%0.385SS..Hα-helixtrans-64.7-39.3173.5-74175.8-179.900112C322 N323 S324 N329 E330 A331C322-E327 HydrophobicContact CB-CB 3.84Å; C322-E327 WeakPolarHBondContact CB-OE2 3.4Å; N323-E327 PolarHBondContact N-OE2 3.04Å; S324-E327 PolarHBondContact O-N 3.16Å; S324-E327 WeakPolarHBondContact OG-CG 3.42Å; S324-E327 PolarHBondContact OG-N 3.08Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 2.84Å; E327-E330 PolarHBondContact O-N 3.13Å; E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.99Å
328A98.1Very high97.1Very high41 Ų4173.2 Ų73.234%0.33940%0.401SS..Hα-helixtrans-61-42.6173.900000111.3C322 S324 G325 A331 A332C322-A328 PolarHBondContact SG-N 3.03Å; S324-A328 PolarHBondContact O-N 2.69Å; S324-A328 VanDerWaalsContact O-N 3.12Å; G325-A328 WeakPolarHBondContact O-CB 3.37Å; G325-A328 PolarHBondContact O-N 3.42Å; A328-A331 PolarHBondContact O-N 2.9Å; A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 2.81Å
329N98.4Very high97.2Very high45 Ų4569.3 Ų69.324%0.24139%0.393CS..Hα-helixtrans-67.2-40.8176.9-74.2-21.1000112.3G325 T326 E327 A331 A332 I333 H353 A359 M402G325-N329 PolarHBondContact O-N 3.42Å; T326-N329 PolarHBondContact O-N 3.08Å; E327-N329 VanDerWaalsContact C-N 3.32Å; E327-N329 PolarHBondContact O-N 2.84Å; N329-A331 VanDerWaalsContact C-N 3.34Å; N329-A331 PolarHBondContact O-N 3.27Å; N329-A332 PolarHBondContact O-N 3.05Å; N329-I333 WeakPolarHBondContact O-CB 3.27Å; N329-I333 WeakPolarHBondContact O-CD1 3.44Å; N329-I333 VanDerWaalsContact O-CG1 3.24Å; N329-I333 WeakPolarHBondContact O-CG1 3.18Å; N329-I333 PolarHBondContact O-N 2.84Å; N329-H353 PolarHBondContact ND2-O 2.8Å; N329-A359 HydrophobicContact CB-CB 4.49Å; N329-M402 HydrophobicContact CB-CE 4.11Å
330E98.6Very high97.3Very high43 Ų4370.1 Ų70.120%0.20139%0.394CS..Hα-helixtrans-59.4-44.4172.5-70.7-67.5167.300111.7T326 E327 K334 T356 G358 A359T326-E330 WeakPolarHBondContact O-CG 3.48Å; T326-E330 PolarHBondContact O-N 3.04Å; E327-E330 PolarHBondContact O-N 3.13Å; E330-K334 WeakPolarHBondContact O-CB 3.21Å; E330-K334 WeakPolarHBondContact O-CD 3.27Å; E330-K334 VanDerWaalsContact O-CG 3.24Å; E330-K334 WeakPolarHBondContact O-CG 3.3Å; E330-K334 PolarHBondContact O-N 3.11Å; E330-T356 VanDerWaalsContact CG-OG1 3.23Å; E330-T356 WeakPolarHBondContact CG-OG1 3.28Å; E330-T356 WeakPolarHBondContact OE1-CB 3.44Å; E330-T356 PolarHBondContact OE1-OG1 3.1Å; E330-G358 WeakPolarHBondContact OE1-CA 3.37Å; E330-G358 PolarHBondContact OE1-N 3.08Å; E330-A359 PolarHBondContact OE1-N 3.42Å
331A98.3Very high97.4Very high18 Ų1867.4 Ų67.415%0.14940%0.403CS..Hα-helixtrans-62.5-44.4175.600000111.5F320 E327 A328 N329 K334 L335F320-A331 HydrophobicContact CD1-CB 3.64Å; F320-A331 HydrophobicContact CE1-CB 3.5Å; F320-A331 VanDerWaalsContact CE1-CB 3.5Å; F320-A331 HydrophobicContact CG-CB 4.47Å; F320-A331 HydrophobicContact CZ-CB 4.24Å; E327-A331 WeakPolarHBondContact O-CB 3.36Å; E327-A331 PolarHBondContact O-N 2.99Å; A328-A331 PolarHBondContact O-N 2.9Å; N329-A331 VanDerWaalsContact C-N 3.34Å; N329-A331 PolarHBondContact O-N 3.27Å; A331-K334 PolarHBondContact O-N 3.13Å; A331-L335 WeakPolarHBondContact O-CB 3.13Å; A331-L335 VanDerWaalsContact O-CG 3.25Å; A331-L335 WeakPolarHBondContact O-CG 3.24Å; A331-L335 PolarHBondContact O-N 2.88Å
332A98Very high97.5Very high49 Ų4968.4 Ų68.441%0.40541%0.405SS..Hα-helixtrans-61.9-46.1177.900000112.2A328 N329 K334 L335 A336A328-A332 WeakPolarHBondContact O-CB 3.25Å; A328-A332 PolarHBondContact O-N 2.81Å; N329-A332 PolarHBondContact O-N 3.05Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 3.35Å; A332-L335 PolarHBondContact O-N 2.79Å; A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.49Å
333I98.4Very high97.5Very high7 Ų770 Ų704%0.03642%0.416CS..Hα-helixtrans-56.5-49.2175.1-72.5161.4000110.1N329 R337 I345 A362 F379 M402N329-I333 WeakPolarHBondContact O-CB 3.27Å; N329-I333 WeakPolarHBondContact O-CD1 3.44Å; N329-I333 VanDerWaalsContact O-CG1 3.24Å; N329-I333 WeakPolarHBondContact O-CG1 3.18Å; N329-I333 PolarHBondContact O-N 2.84Å; I333-R337 WeakPolarHBondContact O-CG 3.34Å; I333-R337 PolarHBondContact O-N 2.96Å; I333-R337 VanDerWaalsContact O-N 3.13Å; I333-I345 HydrophobicContact CB-CD1 4.12Å; I333-I345 HydrophobicContact CG1-CD1 3.95Å; I333-I345 HydrophobicContact CG2-CD1 3.79Å; I333-A362 HydrophobicContact CD1-CB 4.39Å; I333-F379 HydrophobicContact CD1-CE1 4.33Å; I333-F379 HydrophobicContact CD1-CZ 4.06Å; I333-F379 HydrophobicContact CG1-CE1 4.46Å; I333-F379 HydrophobicContact CG1-CZ 4.36Å; I333-F379 HydrophobicContact CG2-CZ 4.25Å; I333-M402 HydrophobicContact CD1-CE 4.23Å; I333-M402 HydrophobicContact CD1-SD 4.07Å; I333-M402 HydrophobicContact CG1-CE 4.2Å; I333-M402 HydrophobicContact CG1-SD 3.66Å
334K98.3Very high97.6Very high143 Ų14365 Ų6562%0.62239%0.387SS*.Hα-helixtrans-65.4-44.4-179.2-72.1168.964.2178.90112.2E330 A331 A332 K338E330-K334 WeakPolarHBondContact O-CB 3.21Å; E330-K334 WeakPolarHBondContact O-CD 3.27Å; E330-K334 VanDerWaalsContact O-CG 3.24Å; E330-K334 WeakPolarHBondContact O-CG 3.3Å; E330-K334 PolarHBondContact O-N 3.11Å; A331-K334 PolarHBondContact O-N 3.13Å; A332-K334 VanDerWaalsContact C-N 3.34Å; A332-K334 PolarHBondContact O-N 3.35Å; K334-K338 WeakPolarHBondContact O-CB 3.33Å; K334-K338 PolarHBondContact O-N 2.9Å
335L97.9Very high97.7Very high107 Ų10762.8 Ų62.856%0.5637%0.372SS*.Hα-helixtrans-65.7-45.3-180-74.4169.8000111.3A331 A332 R337 K338 A339A331-L335 WeakPolarHBondContact O-CB 3.13Å; A331-L335 VanDerWaalsContact O-CG 3.25Å; A331-L335 WeakPolarHBondContact O-CG 3.24Å; A331-L335 PolarHBondContact O-N 2.88Å; A332-L335 PolarHBondContact O-N 2.79Å; L335-R337 PolarHBondContact O-N 3.33Å; L335-K338 PolarHBondContact O-N 2.74Å; L335-A339 WeakPolarHBondContact O-CB 3.15Å; L335-A339 PolarHBondContact O-N 2.75Å
336A97.6Very high97.9Very high20 Ų2060.3 Ų60.317%0.16535%0.346CS..Hα-helixtrans-58.6-48.4177.200000111.7A332 T340 A399 A400A332-A336 VanDerWaalsContact O-CB 3.29Å; A332-A336 WeakPolarHBondContact O-CB 3.41Å; A332-A336 PolarHBondContact O-N 3.49Å; A336-T340 WeakPolarHBondContact O-CB 3.31Å; A336-T340 WeakPolarHBondContact O-CG2 3.31Å; A336-T340 PolarHBondContact O-N 2.84Å; A336-T340 VanDerWaalsContact O-N 3.09Å; A336-T340 PolarHBondContact O-OG1 3.37Å; A336-A399 HydrophobicContact CB-CB 4.4Å; A336-A400 HydrophobicContact CB-CB 3.75Å
337R97.9Very high97.8Very high54 Ų5458.8 Ų58.820%0.20434%0.337CS..Hα-helixtrans-64.5-43.4177.8-69.3-179168.5-179.5-2.6112.3I333 L335 G341 R342 S343 I345 V376 E377 A399I333-R337 WeakPolarHBondContact O-CG 3.34Å; I333-R337 PolarHBondContact O-N 2.96Å; I333-R337 VanDerWaalsContact O-N 3.13Å; L335-R337 PolarHBondContact O-N 3.33Å; R337-G341 WeakPolarHBondContact O-CA 3.32Å; R337-G341 PolarHBondContact O-N 2.9Å; R337-R342 WeakPolarHBondContact CA-O 3.41Å; R337-R342 WeakPolarHBondContact CB-O 3.49Å; R337-R342 WeakPolarHBondContact CG-O 3.39Å; R337-S343 PolarHBondContact NE-O 3.26Å; R337-S343 PolarHBondContact NH2-O 3.37Å; R337-I345 HydrophobicContact CG-CD1 4.33Å; R337-V376 VanDerWaalsContact NH1-CG1 3.3Å; R337-E377 PolarHBondContact NH2-O 3.22Å; R337-A399 HydrophobicContact CG-CB 4.39Å
338K97.9Very high97.8Very high180 Ų18055 Ų5578%0.78332%0.319SS*.Hα-helixtrans-65.7-43.3179.6-174.8179.4179.3-177.70112.3K334 L335K334-K338 WeakPolarHBondContact O-CB 3.33Å; K334-K338 PolarHBondContact O-N 2.9Å; L335-K338 PolarHBondContact O-N 2.74Å
339A97Very high97.8Very high90 Ų9057.7 Ų57.774%0.74433%0.325SS*.Hα-helixtrans-71.5-37.8-176.900000112.3L335L335-A339 WeakPolarHBondContact O-CB 3.15Å; L335-A339 PolarHBondContact O-N 2.75Å
340T97.6Very high97.7Very high57 Ų5760.1 Ų60.135%0.3533%0.334SS..Hα-helixtrans-91-20.2-177.462.30000113.8A336 R342 A399A336-T340 WeakPolarHBondContact O-CB 3.31Å; A336-T340 WeakPolarHBondContact O-CG2 3.31Å; A336-T340 PolarHBondContact O-N 2.84Å; A336-T340 VanDerWaalsContact O-N 3.09Å; A336-T340 PolarHBondContact O-OG1 3.37Å; T340-R342 PolarHBondContact O-N 3.26Å; T340-R342 WeakPolarHBondContact OG1-CB 3.41Å; T340-R342 PolarHBondContact OG1-N 3.3Å; T340-A399 WeakPolarHBondContact OG1-CB 3.3Å
341G97.7Very high97.7Very high75 Ų7558.1 Ų58.177%0.77333%0.325SS*.  trans70.38.2-169.800000113.7R337R337-G341 WeakPolarHBondContact O-CA 3.32Å; R337-G341 PolarHBondContact O-N 2.9Å
342R97.8Very high97.7Very high101 Ų10159.9 Ų59.938%0.38133%0.33SS..  trans-105.3146.7-175.1-60.9165.2-166.7-175.2-8110R337 T340 E396 N397 V398 A399R337-R342 WeakPolarHBondContact CA-O 3.41Å; R337-R342 WeakPolarHBondContact CB-O 3.49Å; R337-R342 WeakPolarHBondContact CG-O 3.39Å; T340-R342 PolarHBondContact O-N 3.26Å; T340-R342 WeakPolarHBondContact OG1-CB 3.41Å; T340-R342 PolarHBondContact OG1-N 3.3Å; R342-E396 WeakPolarHBondContact CD-O 3.28Å; R342-E396 PolarHBondContact NE-O 3.07Å; R342-E396 PolarHBondContact NH2-O 3.39Å; R342-N397 WeakPolarHBondContact CB-O 3.34Å; R342-V398 WeakPolarHBondContact CD-O 3.47Å; R342-V398 PolarHBondContact NH1-O 3.33Å; R342-A399 HydrophobicContact CB-CB 3.95Å; R342-A399 WeakPolarHBondContact O-CB 3.38Å
343S95.1Very high97.6Very high78 Ų7858.1 Ų58.155%0.54531%0.313SS..  trans-94.6-29-178.855.80000113.7R337R337-S343 PolarHBondContact NE-O 3.26Å; R337-S343 PolarHBondContact NH2-O 3.37Å
344K98.2Very high97.6Very high47 Ų4758.1 Ų58.120%0.20431%0.314CS..EExtended strand (participates in β ladder)trans-77.1131.4-168.2-170.2165.4-180145.90112.7L346 G378 D380 N397 V398 A399K344-L346 HydrophobicContact CG-CD2 4.43Å; K344-G378 CarbonylContact C-O 3.54Å; K344-G378 WeakPolarHBondContact CA-O 3.48Å; K344-D380 WeakPolarHBondContact CE-OD1 3.45Å; K344-D380 WeakPolarHBondContact CE-OD2 3.49Å; K344-D380 IonicContact NZ-OD1 3Å; K344-D380 PolarHBondContact NZ-OD1 3.11Å; K344-D380 IonicContact NZ-OD2 2.65Å; K344-D380 PolarHBondContact NZ-OD2 3.05Å; K344-N397 VanDerWaalsContact CB-O 3.31Å; K344-N397 WeakPolarHBondContact CB-O 3.48Å; K344-V398 HydrophobicContact CD-CG2 4.34Å; K344-V398 HydrophobicContact CG-CG2 4.35Å; K344-V398 CarbonylContact O-C 3.59Å; K344-V398 WeakPolarHBondContact O-CA 3.24Å; K344-A399 WeakPolarHBondContact O-CB 3.44Å; K344-A399 PolarHBondContact O-N 3.1Å
345I98.4Very high97.4Very high1 Ų158.4 Ų58.41%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-124.2133.5173.7-63.9177.1000107.8I333 R337 G378 F379 D380 A399 A400 M402I333-I345 HydrophobicContact CB-CD1 4.12Å; I333-I345 HydrophobicContact CG1-CD1 3.95Å; I333-I345 HydrophobicContact CG2-CD1 3.79Å; R337-I345 HydrophobicContact CG-CD1 4.33Å; I345-G378 PolarHBondContact N-O 2.86Å; I345-F379 HydrophobicContact CB-CD1 3.82Å; I345-F379 HydrophobicContact CB-CE1 3.8Å; I345-F379 HydrophobicContact CD1-CE1 3.94Å; I345-F379 HydrophobicContact CD1-CZ 4.24Å; I345-F379 HydrophobicContact CG1-CE1 4.41Å; I345-F379 HydrophobicContact CG2-CD1 3.98Å; I345-F379 HydrophobicContact CG2-CE1 3.88Å; I345-F379 WeakPolarHBondContact O-CA 3.32Å; I345-D380 PolarHBondContact O-N 3.46Å; I345-D380 VanDerWaalsContact O-N 3.11Å; I345-A399 HydrophobicContact CG1-CB 4.36Å; I345-A400 WeakPolarHBondContact CA-O 3.42Å; I345-A400 HydrophobicContact CG1-CB 4.49Å; I345-M402 HydrophobicContact CG2-CB 4.49Å; I345-M402 HydrophobicContact CG2-CG 3.81Å; I345-M402 HydrophobicContact CG2-SD 3.86Å
346L98Very high97.4Very high0 Ų055.8 Ų55.80%030%0.3CS..EExtended strand (participates in β ladder)trans-94.7127.7174.1-52.4-180000108.7K344 D380 L382 L390 K393 L394 V398 A400 V401 M402K344-L346 HydrophobicContact CG-CD2 4.43Å; L346-D380 HydrophobicContact CD2-CB 3.81Å; L346-L382 HydrophobicContact CB-CD1 4.4Å; L346-L382 HydrophobicContact CD1-CD1 4.21Å; L346-L390 HydrophobicContact CD1-CD1 3.84Å; L346-K393 HydrophobicContact CD1-CB 4.08Å; L346-K393 HydrophobicContact CD2-CB 4.21Å; L346-L394 HydrophobicContact CD1-CB 4.49Å; L346-L394 HydrophobicContact CD1-CD1 4.36Å; L346-V398 HydrophobicContact CD1-CG1 4.17Å; L346-V398 HydrophobicContact CD1-CG2 4.12Å; L346-V398 HydrophobicContact CD2-CG2 4.28Å; L346-V398 HydrophobicContact CG-CG1 3.93Å; L346-V398 HydrophobicContact CG-CG2 4.13Å; L346-A400 PolarHBondContact N-O 3.16Å; L346-V401 HydrophobicContact CB-CG2 4.28Å; L346-V401 HydrophobicContact CD1-CG2 4.32Å; L346-V401 CarbonylContact O-C 3.45Å; L346-V401 WeakPolarHBondContact O-CA 3.33Å; L346-M402 PolarHBondContact O-N 2.79Å
347S97.4Very high97.4Very high0 Ų061.2 Ų61.20%032%0.317CS..EExtended strand (participates in β ladder)trans-124.9-169.6166.5-173.70000108.8S351 H353 A362 D380 Y381 L382S347-S351 PolarHBondContact OG-OG 2.83Å; S347-S351 VanDerWaalsContact OG-OG 3.05Å; S347-H353 PolarHBondContact OG-CD2 2.87Å; S347-H353 VanDerWaalsContact OG-CD2 3.27Å; S347-H353 PolarHBondContact OG-NE2 3.24Å; S347-A362 VanDerWaalsContact CB-O 3.24Å; S347-A362 WeakPolarHBondContact CB-O 3.17Å; S347-A362 PolarHBondContact OG-O 2.84Å; S347-D380 PolarHBondContact N-O 3.12Å; S347-Y381 WeakPolarHBondContact O-CA 3.24Å; S347-L382 PolarHBondContact O-N 3.31Å
348F97.8Very high97.5Very high0 Ų058.8 Ų58.80%031%0.309CS..EExtended strand (participates in β ladder)trans-126.9148.2-171.7-59.5-85.8000111.8S351 L382 Y384 L390 V401 M402 L403 M419F348-S351 WeakPolarHBondContact O-CB 3.39Å; F348-S351 PolarHBondContact O-N 2.63Å; F348-S351 VanDerWaalsContact O-N 3.16Å; F348-S351 PolarHBondContact O-OG 2.79Å; F348-L382 CarbonylContact C-O 3.55Å; F348-L382 WeakPolarHBondContact CA-O 3.38Å; F348-L382 HydrophobicContact CD1-CB 4.09Å; F348-L382 HydrophobicContact CE1-CB 4.18Å; F348-Y384 HydrophobicContact CB-CD2 3.71Å; F348-Y384 HydrophobicContact CB-CG 4.37Å; F348-Y384 HydrophobicContact CD1-CD2 4.11Å; F348-Y384 HydrophobicContact CD2-CD2 4.29Å; F348-Y384 AromaticContact CG-CD2 3.74Å; F348-Y384 HydrophobicContact CG-CD2 3.74Å; F348-L390 HydrophobicContact CZ-CD1 4.24Å; F348-L390 HydrophobicContact CZ-CD2 4.32Å; F348-V401 HydrophobicContact CE2-CG1 3.76Å; F348-V401 HydrophobicContact CZ-CG1 3.86Å; F348-M402 VanDerWaalsContact CD2-O 3.27Å; F348-M402 WeakPolarHBondContact CD2-O 3.39Å; F348-M402 VanDerWaalsContact CE2-O 3.3Å; F348-M402 WeakPolarHBondContact CE2-O 3.25Å; F348-L403 HydrophobicContact CD2-CB 4Å; F348-L403 HydrophobicContact CE2-CB 3.71Å; F348-M419 HydrophobicContact CD1-CE 3.7Å; F348-M419 HydrophobicContact CD2-CE 3.88Å; F348-M419 HydrophobicContact CE1-CE 3.26Å; F348-M419 HydrophobicContact CE1-SD 4.34Å; F348-M419 HydrophobicContact CE2-CE 3.49Å; F348-M419 VanDerWaalsContact CE2-CE 3.49Å; F348-M419 HydrophobicContact CG-CE 4Å; F348-M419 HydrophobicContact CZ-CE 3.16Å; F348-M419 HydrophobicContact CZ-SD 4.28Å
349E97.8Very high97.5Very high96 Ų9650.2 Ų50.245%0.44927%0.272SS..BIsolated β-bridgetrans-55.5143.1171.5-64.8174.9174.200110.2S351 L382 Q407E349-S351 PolarHBondContact O-N 3.09Å; E349-L382 PolarHBondContact N-O 3.49Å; E349-Q407 PolarHBondContact O-NE2 3.07Å
350Q97Very high97.5Very high96 Ų9646.3 Ų46.345%0.44924%0.239SC..THydrogen-bonded Turntrans68.21.3-174.8-53.2179.690.200115.6G364 Q365 G410Q350-G364 PolarHBondContact N-O 3.05Å; Q350-Q365 PolarHBondContact O-NE2 3.15Å; Q350-Q365 VanDerWaalsContact O-NE2 3.11Å; Q350-G410 PolarHBondContact OE1-O 3.46Å
351S97.5Very high97.6Very high1 Ų143.6 Ų43.61%0.00722%0.222CC..  trans-65.9153.2178.672.80000112.5S347 F348 E349 A362 T363 G364 E404 Q407S347-S351 PolarHBondContact OG-OG 2.83Å; S347-S351 VanDerWaalsContact OG-OG 3.05Å; F348-S351 WeakPolarHBondContact O-CB 3.39Å; F348-S351 PolarHBondContact O-N 2.63Å; F348-S351 VanDerWaalsContact O-N 3.16Å; F348-S351 PolarHBondContact O-OG 2.79Å; E349-S351 PolarHBondContact O-N 3.09Å; S351-A362 PolarHBondContact OG-O 3.44Å; S351-T363 VanDerWaalsContact O-CG2 3.3Å; S351-T363 WeakPolarHBondContact O-CG2 3.43Å; S351-G364 PolarHBondContact O-N 3.46Å; S351-G364 PolarHBondContact OG-N 3.36Å; S351-E404 WeakPolarHBondContact CA-OE2 3.46Å; S351-E404 WeakPolarHBondContact CB-OE2 3.35Å; S351-Q407 VanDerWaalsContact N-NE2 3.19Å
352F97.6Very high97.6Very high56 Ų5640 Ų4025%0.24619%0.185CC..  trans-128.2112.2169.4-176-91.5000110.4R355 T363 L368 E404 E409F352-R355 HydrophobicContact CE2-CG 4.22Å; F352-R355 HydrophobicContact CZ-CG 4.12Å; F352-T363 HydrophobicContact CD2-CG2 4.3Å; F352-L368 HydrophobicContact CD2-CD1 3.95Å; F352-L368 HydrophobicContact CE2-CD1 4.1Å; F352-E404 PolarHBondContact N-OE2 3.38Å; F352-E409 HydrophobicContact CB-CB 3.78Å; F352-E409 HydrophobicContact CB-CG 3.93Å; F352-E409 HydrophobicContact CD1-CG 4.06Å; F352-E409 HydrophobicContact CD2-CG 4.21Å; F352-E409 HydrophobicContact CG-CB 4.15Å; F352-E409 HydrophobicContact CG-CG 3.81Å
353H97.7Very high97.6Very high12 Ų1235.2 Ų35.26%0.05617%0.167CC..  trans-113-4.2-179.7-67.3-49.3000113.4N329 S347 A359 A362 T363 M402N329-H353 PolarHBondContact ND2-O 2.8Å; S347-H353 PolarHBondContact OG-CD2 2.87Å; S347-H353 VanDerWaalsContact OG-CD2 3.27Å; S347-H353 PolarHBondContact OG-NE2 3.24Å; H353-A359 WeakPolarHBondContact O-CB 3.41Å; H353-A362 HydrophobicContact CB-CB 3.94Å; H353-A362 PolarHBondContact CD2-O 3.32Å; H353-T363 PolarHBondContact N-OG1 3.23Å; H353-M402 HydrophobicContact CB-CE 4.16Å
354G96.8Very high97.7Very high6 Ų632 Ų326%0.06215%0.145CC..  trans129.2-173.3176.800000112.5L360 T363G354-L360 WeakPolarHBondContact O-CA 3.34Å; G354-L360 PolarHBondContact O-N 3.4Å; G354-T363 PolarHBondContact N-OG1 2.87Å; G354-T363 PolarHBondContact O-OG1 3.26Å
355R95.4Very high97.7Very high149 Ų14931.8 Ų31.856%0.56215%0.145SC*.SBendtrans-122.6-0.4-170.2-64.9-175.4176.7-124.53.4114T326 F352T326-R355 PolarHBondContact OG1-N 2.87Å; F352-R355 HydrophobicContact CE2-CG 4.22Å; F352-R355 HydrophobicContact CZ-CG 4.12Å
356T97.9Very high97.5Very high52 Ų5236.4 Ų36.432%0.31918%0.176SC..SBendtrans-72.9154.9166.750.90000109.8T326 E330 G358 A359 L360T326-T356 HydrophobicContact CG2-CG2 3.78Å; T326-T356 PolarHBondContact OG1-OG1 2.93Å; E330-T356 VanDerWaalsContact CG-OG1 3.23Å; E330-T356 WeakPolarHBondContact CG-OG1 3.28Å; E330-T356 WeakPolarHBondContact OE1-CB 3.44Å; E330-T356 PolarHBondContact OE1-OG1 3.1Å; T356-G358 VanDerWaalsContact C-N 3.33Å; T356-G358 PolarHBondContact O-N 3.1Å; T356-G358 VanDerWaalsContact O-N 3.15Å; T356-A359 CarbonylContact O-C 3.59Å; T356-A359 PolarHBondContact O-N 3.22Å; T356-A359 VanDerWaalsContact O-N 3.12Å; T356-A359 WeakPolarHBondContact OG1-CB 3.29Å; T356-L360 WeakPolarHBondContact O-CB 3.49Å; T356-L360 PolarHBondContact O-N 2.83Å
357Y98Very high97.3Very high134 Ų13440.6 Ų40.653%0.52521%0.21SC..Hα-helixtrans-52.9-42.4-169.8-93.7-89.7000114.7S361 F372Y357-S361 WeakPolarHBondContact O-CB 3.17Å; Y357-S361 PolarHBondContact O-N 3.33Å; Y357-S361 VanDerWaalsContact O-N 3.11Å; Y357-S361 PolarHBondContact O-OG 3.46Å; Y357-F372 WeakPolarHBondContact CE1-O 3.48Å
358G98Very high97.1Very high3 Ų342.7 Ų42.73%0.03122%0.221CC..Hα-helixtrans-70.5-47.2177.300000112.3E330 T356 S361 A362E330-G358 WeakPolarHBondContact OE1-CA 3.37Å; E330-G358 PolarHBondContact OE1-N 3.08Å; T356-G358 VanDerWaalsContact C-N 3.33Å; T356-G358 PolarHBondContact O-N 3.1Å; T356-G358 VanDerWaalsContact O-N 3.15Å; G358-S361 WeakPolarHBondContact O-CB 3.35Å; G358-S361 PolarHBondContact O-N 3.25Å; G358-A362 PolarHBondContact O-N 3.13Å
359A98.4Very high97.1Very high0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-63.1-41.5177.500000113.2T326 N329 E330 H353 T356 S361 A362 T363T326-A359 WeakPolarHBondContact OG1-CB 3.29Å; N329-A359 HydrophobicContact CB-CB 4.49Å; E330-A359 PolarHBondContact OE1-N 3.42Å; H353-A359 WeakPolarHBondContact O-CB 3.41Å; T356-A359 CarbonylContact O-C 3.59Å; T356-A359 PolarHBondContact O-N 3.22Å; T356-A359 VanDerWaalsContact O-N 3.12Å; T356-A359 WeakPolarHBondContact OG1-CB 3.29Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.48Å; A359-A362 CarbonylContact O-C 3.49Å; A359-A362 WeakPolarHBondContact O-CA 3.12Å; A359-A362 WeakPolarHBondContact O-CB 3.36Å; A359-A362 PolarHBondContact O-N 3.38Å; A359-T363 PolarHBondContact O-N 2.89Å; A359-T363 PolarHBondContact O-OG1 2.88Å; A359-T363 VanDerWaalsContact O-OG1 3.11Å
360L98.4Very high96.9Very high9 Ų941.6 Ų41.65%0.04723%0.226CC..Hα-helixtrans-62.6-36.1173.8-179.563.3000111.2G354 T356 A362 T363 L368 Q369 F372G354-L360 WeakPolarHBondContact O-CA 3.34Å; G354-L360 PolarHBondContact O-N 3.4Å; T356-L360 WeakPolarHBondContact O-CB 3.49Å; T356-L360 PolarHBondContact O-N 2.83Å; L360-A362 VanDerWaalsContact C-N 3.28Å; L360-T363 WeakPolarHBondContact O-CB 3.35Å; L360-T363 PolarHBondContact O-N 3.03Å; L360-L368 HydrophobicContact CD1-CB 4.09Å; L360-Q369 HydrophobicContact CD1-CG 4.33Å; L360-Q369 HydrophobicContact CG-CG 4.37Å; L360-Q369 PolarHBondContact O-NE2 2.9Å; L360-F372 HydrophobicContact CD2-CB 4.04Å; L360-F372 HydrophobicContact CD2-CD2 3.79Å; L360-F372 HydrophobicContact CD2-CG 4.04Å
361S98.4Very high96.9Very high0 Ų040.6 Ų40.60%024%0.242CC..Hα-helixtrans-69.7-27.7173.6-52.10000112.1Y357 G358 A359 I375 V376 F379 Y381Y357-S361 WeakPolarHBondContact O-CB 3.17Å; Y357-S361 PolarHBondContact O-N 3.33Å; Y357-S361 VanDerWaalsContact O-N 3.11Å; Y357-S361 PolarHBondContact O-OG 3.46Å; G358-S361 WeakPolarHBondContact O-CB 3.35Å; G358-S361 PolarHBondContact O-N 3.25Å; A359-S361 VanDerWaalsContact C-N 3.27Å; A359-S361 PolarHBondContact O-N 3.48Å; S361-I375 WeakPolarHBondContact OG-CB 3.32Å; S361-V376 WeakPolarHBondContact CB-O 3.36Å; S361-V376 WeakPolarHBondContact OG-CB 3.45Å; S361-V376 PolarHBondContact OG-N 3.03Å; S361-V376 PolarHBondContact OG-O 3.01Å; S361-F379 VanDerWaalsContact CB-CD2 3.45Å; S361-F379 WeakPolarHBondContact O-CB 3.34Å; S361-F379 VanDerWaalsContact O-CG 3.32Å; S361-F379 WeakPolarHBondContact O-CG 3.29Å; S361-Y381 VanDerWaalsContact O-CE1 3.28Å; S361-Y381 WeakPolarHBondContact O-CE1 3.42Å; S361-Y381 VanDerWaalsContact O-CZ 3.3Å; S361-Y381 PolarHBondContact O-OH 2.96Å
362A98.2Very high96.8Very high0 Ų045.4 Ų45.40%026%0.263CS..Hα-helixtrans-77.6-31.1172.100000112.4I333 S347 S351 H353 G358 A359 L360 G364 F379 M402I333-A362 HydrophobicContact CD1-CB 4.39Å; S347-A362 VanDerWaalsContact CB-O 3.24Å; S347-A362 WeakPolarHBondContact CB-O 3.17Å; S347-A362 PolarHBondContact OG-O 2.84Å; S351-A362 PolarHBondContact OG-O 3.44Å; H353-A362 HydrophobicContact CB-CB 3.94Å; H353-A362 PolarHBondContact CD2-O 3.32Å; G358-A362 PolarHBondContact O-N 3.13Å; A359-A362 CarbonylContact O-C 3.49Å; A359-A362 WeakPolarHBondContact O-CA 3.12Å; A359-A362 WeakPolarHBondContact O-CB 3.36Å; A359-A362 PolarHBondContact O-N 3.38Å; L360-A362 VanDerWaalsContact C-N 3.28Å; A362-G364 PolarHBondContact O-N 3.02Å; A362-F379 HydrophobicContact CB-CD1 3.9Å; A362-F379 HydrophobicContact CB-CE1 3.54Å; A362-F379 HydrophobicContact CB-CZ 4.26Å; A362-M402 HydrophobicContact CB-CE 4.05Å; A362-M402 HydrophobicContact CB-SD 3.84Å
363T98.3Very high96.7Very high0 Ų049 Ų490%028%0.279CS..  trans-61116.4178.4-67.90000111.3S351 F352 H353 G354 A359 L360 Q365 L368 Q369S351-T363 VanDerWaalsContact O-CG2 3.3Å; S351-T363 WeakPolarHBondContact O-CG2 3.43Å; F352-T363 HydrophobicContact CD2-CG2 4.3Å; H353-T363 PolarHBondContact N-OG1 3.23Å; G354-T363 PolarHBondContact N-OG1 2.87Å; G354-T363 PolarHBondContact O-OG1 3.26Å; A359-T363 PolarHBondContact O-N 2.89Å; A359-T363 PolarHBondContact O-OG1 2.88Å; A359-T363 VanDerWaalsContact O-OG1 3.11Å; L360-T363 WeakPolarHBondContact O-CB 3.35Å; L360-T363 PolarHBondContact O-N 3.03Å; T363-Q365 HydrophobicContact CG2-CB 4.06Å; T363-Q365 HydrophobicContact CG2-CG 4.33Å; T363-Q365 PolarHBondContact O-N 2.93Å; T363-L368 HydrophobicContact CG2-CD1 3.93Å; T363-Q369 PolarHBondContact O-NE2 3.25Å
364G97.4Very high96.6Very high9 Ų953.8 Ų53.89%0.09331%0.311CS..BIsolated β-bridgetrans-82.541.2-17700000114.7Q350 S351 A362Q350-G364 PolarHBondContact N-O 3.05Å; S351-G364 PolarHBondContact O-N 3.46Å; S351-G364 PolarHBondContact OG-N 3.36Å; A362-G364 PolarHBondContact O-N 3.02Å
365Q96.9Very high96.6Very high43 Ų4354.8 Ų54.820%0.20132%0.315CS..  trans-125.996.5179.9-63.4-175.928.600110Q350 T363 A367 L368Q350-Q365 PolarHBondContact O-NE2 3.15Å; Q350-Q365 VanDerWaalsContact O-NE2 3.11Å; T363-Q365 HydrophobicContact CG2-CB 4.06Å; T363-Q365 HydrophobicContact CG2-CG 4.33Å; T363-Q365 PolarHBondContact O-N 2.93Å; Q365-A367 PolarHBondContact O-N 3.12Å; Q365-A367 VanDerWaalsContact O-N 3.12Å; Q365-L368 HydrophobicContact CB-CB 4.43Å; Q365-L368 HydrophobicContact CB-CD1 4.05Å; Q365-L368 HydrophobicContact CB-CG 4.07Å; Q365-L368 PolarHBondContact O-N 3.49Å
366P94.8Very high96.7Very high99 Ų9950.1 Ų50.164%0.64330%0.303SS*.Hα-helixtrans-55.8-33-174.6-29.336.1000114.6L368 Q369 A370P366-L368 VanDerWaalsContact C-N 3.25Å; P366-L368 PolarHBondContact O-N 3.49Å; P366-Q369 PolarHBondContact O-N 2.82Å; P366-Q369 VanDerWaalsContact O-N 3.12Å; P366-A370 PolarHBondContact O-N 3.48Å
367A94.4Very high96.7Very high87 Ų8755.5 Ų55.572%0.71932%0.324SS*.Hα-helixtrans-60.9-33.2177.100000112.9Q365Q365-A367 PolarHBondContact O-N 3.12Å; Q365-A367 VanDerWaalsContact O-N 3.12Å
368L93.5Very high96.6Very high45 Ų4550.3 Ų50.324%0.23631%0.312CS..Hα-helixtrans-77.4-23.7177.7-61.9-175.5000112.6F352 L360 T363 Q365 P366 F372F352-L368 HydrophobicContact CD2-CD1 3.95Å; F352-L368 HydrophobicContact CE2-CD1 4.1Å; L360-L368 HydrophobicContact CD1-CB 4.09Å; T363-L368 HydrophobicContact CG2-CD1 3.93Å; Q365-L368 HydrophobicContact CB-CB 4.43Å; Q365-L368 HydrophobicContact CB-CD1 4.05Å; Q365-L368 HydrophobicContact CB-CG 4.07Å; Q365-L368 PolarHBondContact O-N 3.49Å; P366-L368 VanDerWaalsContact C-N 3.25Å; P366-L368 PolarHBondContact O-N 3.49Å; L368-F372 WeakPolarHBondContact O-CD2 3.37Å
369Q96Very high96.6Very high11 Ų1151.2 Ų51.25%0.05132%0.315CS..Hα-helixtrans-86-25179.4-59.5174.7-6.200112.6L360 T363 P366 G371 F372 F373 Y381L360-Q369 HydrophobicContact CD1-CG 4.33Å; L360-Q369 HydrophobicContact CG-CG 4.37Å; L360-Q369 PolarHBondContact O-NE2 2.9Å; T363-Q369 PolarHBondContact O-NE2 3.25Å; P366-Q369 PolarHBondContact O-N 2.82Å; P366-Q369 VanDerWaalsContact O-N 3.12Å; Q369-G371 PolarHBondContact O-N 3Å; Q369-F372 PolarHBondContact O-N 3.33Å; Q369-F373 HydrophobicContact CB-CE2 4.19Å; Q369-F373 HydrophobicContact CB-CZ 3.92Å; Q369-F373 WeakPolarHBondContact O-CE2 3.41Å; Q369-Y381 PolarHBondContact NE2-OH 2.94Å
370A95.3Very high96.6Very high61 Ų6153.3 Ų53.350%0.50433%0.326SS..THydrogen-bonded Turntrans-52.4127.2-178.800000111.5P366P366-A370 PolarHBondContact O-N 3.48Å
371G95.3Very high96.6Very high76 Ų7656.1 Ų56.178%0.78434%0.336SS*.THydrogen-bonded Turntrans90.3-8.2-177.900000115.7Q369Q369-G371 PolarHBondContact O-N 3Å
372F96.2Very high96.5Very high102 Ų10256.5 Ų56.545%0.44734%0.338SS..  trans-10914.1-179.8-56.2-68.1000114.2Y357 L360 L368 Q369 P374Y357-F372 WeakPolarHBondContact CE1-O 3.48Å; L360-F372 HydrophobicContact CD2-CB 4.04Å; L360-F372 HydrophobicContact CD2-CD2 3.79Å; L360-F372 HydrophobicContact CD2-CG 4.04Å; L368-F372 WeakPolarHBondContact O-CD2 3.37Å; Q369-F372 PolarHBondContact O-N 3.33Å; F372-P374 CarbonylContact O-C 3.55Å
373F95.5Very high96.5Very high131 Ų13158.1 Ų58.158%0.57535%0.349SS*.PPolyproline II helixtrans-75.3145.4179.1-68.2-81.8000112.3Q369 I375Q369-F373 HydrophobicContact CB-CE2 4.19Å; Q369-F373 HydrophobicContact CB-CZ 3.92Å; Q369-F373 WeakPolarHBondContact O-CE2 3.41Å; F373-I375 HydrophobicContact CD1-CB 4.47Å; F373-I375 HydrophobicContact CD1-CD1 4.47Å; F373-I375 HydrophobicContact CD1-CG1 4.03Å; F373-I375 HydrophobicContact CD1-CG2 4Å; F373-I375 HydrophobicContact CE1-CD1 3.8Å; F373-I375 HydrophobicContact CE1-CG1 3.85Å; F373-I375 HydrophobicContact CE1-CG2 4.1Å; F373-I375 HydrophobicContact CG-CG2 4.49Å
374P95.4Very high96.4Very high112 Ų11259.2 Ų59.273%0.72735%0.353SS*.SBendcis-74132.8-1.830.9-34.4000112.5F372F372-P374 CarbonylContact O-C 3.55Å
375I96.1Very high96.3Very high28 Ų2860.7 Ų60.714%0.14436%0.359CS..PPolyproline II helixtrans-82.1168.217164.5174.2000109.9S361 F373 E377S361-I375 WeakPolarHBondContact OG-CB 3.32Å; F373-I375 HydrophobicContact CD1-CB 4.47Å; F373-I375 HydrophobicContact CD1-CD1 4.47Å; F373-I375 HydrophobicContact CD1-CG1 4.03Å; F373-I375 HydrophobicContact CD1-CG2 4Å; F373-I375 HydrophobicContact CE1-CD1 3.8Å; F373-I375 HydrophobicContact CE1-CG1 3.85Å; F373-I375 HydrophobicContact CE1-CG2 4.1Å; F373-I375 HydrophobicContact CG-CG2 4.49Å; I375-E377 PolarHBondContact O-N 2.73Å
376V97.8Very high96.2Very high51 Ų5163.6 Ų63.631%0.30937%0.372SS..PPolyproline II helixtrans-62.3120.6178.4179.50000109R337 S361 F379R337-V376 VanDerWaalsContact NH1-CG1 3.3Å; S361-V376 WeakPolarHBondContact CB-O 3.36Å; S361-V376 WeakPolarHBondContact OG-CB 3.45Å; S361-V376 PolarHBondContact OG-N 3.03Å; S361-V376 PolarHBondContact OG-O 3.01Å; V376-F379 HydrophobicContact CB-CE2 4.11Å; V376-F379 HydrophobicContact CG1-CE2 3.99Å; V376-F379 WeakPolarHBondContact O-CD2 3.25Å; V376-F379 WeakPolarHBondContact O-CE2 3.33Å
377E97.4Very high96Very high164 Ų16460.1 Ų60.177%0.76635%0.348SS*.SBendtrans-69.3165-178.2-63.8-178179.900113.1R337 I375R337-E377 PolarHBondContact NH2-O 3.22Å; I375-E377 PolarHBondContact O-N 2.73Å
378G97.2Very high96Very high26 Ų2659.4 Ų59.427%0.26834%0.343SS..  trans89.830.9174.300000114.3K344 I345K344-G378 CarbonylContact C-O 3.54Å; K344-G378 WeakPolarHBondContact CA-O 3.48Å; I345-G378 PolarHBondContact N-O 2.86Å
379F98.1Very high96.1Very high22 Ų2258.6 Ų58.610%0.09634%0.34CS..EExtended strand (participates in β ladder)trans-115131.2169.8-65-89.2000110.3I333 I345 S361 A362 V376 Y381I333-F379 HydrophobicContact CD1-CE1 4.33Å; I333-F379 HydrophobicContact CD1-CZ 4.06Å; I333-F379 HydrophobicContact CG1-CE1 4.46Å; I333-F379 HydrophobicContact CG1-CZ 4.36Å; I333-F379 HydrophobicContact CG2-CZ 4.25Å; I345-F379 HydrophobicContact CB-CD1 3.82Å; I345-F379 HydrophobicContact CB-CE1 3.8Å; I345-F379 HydrophobicContact CD1-CE1 3.94Å; I345-F379 HydrophobicContact CD1-CZ 4.24Å; I345-F379 HydrophobicContact CG1-CE1 4.41Å; I345-F379 HydrophobicContact CG2-CD1 3.98Å; I345-F379 HydrophobicContact CG2-CE1 3.88Å; I345-F379 WeakPolarHBondContact O-CA 3.32Å; S361-F379 VanDerWaalsContact CB-CD2 3.45Å; S361-F379 WeakPolarHBondContact O-CB 3.34Å; S361-F379 VanDerWaalsContact O-CG 3.32Å; S361-F379 WeakPolarHBondContact O-CG 3.29Å; A362-F379 HydrophobicContact CB-CD1 3.9Å; A362-F379 HydrophobicContact CB-CE1 3.54Å; A362-F379 HydrophobicContact CB-CZ 4.26Å; V376-F379 HydrophobicContact CB-CE2 4.11Å; V376-F379 HydrophobicContact CG1-CE2 3.99Å; V376-F379 WeakPolarHBondContact O-CD2 3.25Å; V376-F379 WeakPolarHBondContact O-CE2 3.33Å; F379-Y381 HydrophobicContact CB-CE1 4.31Å
380D97.7Very high96Very high43 Ų4358.4 Ų58.423%0.2334%0.339CS..EExtended strand (participates in β ladder)trans-112.1137165.6-77.732.6000108K344 I345 L346 S347 K393K344-D380 WeakPolarHBondContact CE-OD1 3.45Å; K344-D380 WeakPolarHBondContact CE-OD2 3.49Å; K344-D380 IonicContact NZ-OD1 3Å; K344-D380 PolarHBondContact NZ-OD1 3.11Å; K344-D380 IonicContact NZ-OD2 2.65Å; K344-D380 PolarHBondContact NZ-OD2 3.05Å; I345-D380 PolarHBondContact O-N 3.46Å; I345-D380 VanDerWaalsContact O-N 3.11Å; L346-D380 HydrophobicContact CD2-CB 3.81Å; S347-D380 PolarHBondContact N-O 3.12Å; D380-K393 IonicContact OD2-NZ 2.83Å
381Y97.9Very high95.9Very high68 Ų6862.6 Ų62.627%0.26735%0.346SS..EExtended strand (participates in β ladder)trans-104.6125.3175.9-43-78.8000109S347 S361 Q369 F379S347-Y381 WeakPolarHBondContact O-CA 3.24Å; S361-Y381 VanDerWaalsContact O-CE1 3.28Å; S361-Y381 WeakPolarHBondContact O-CE1 3.42Å; S361-Y381 VanDerWaalsContact O-CZ 3.3Å; S361-Y381 PolarHBondContact O-OH 2.96Å; Q369-Y381 PolarHBondContact NE2-OH 2.94Å; F379-Y381 HydrophobicContact CB-CE1 4.31Å
382L97.6Very high95.9Very high9 Ų966.3 Ų66.35%0.04734%0.343CS..EExtended strand (participates in β ladder)trans-111153.2-179.1-52.8-178.7000110.6L346 S347 F348 E349 Y384 L390 K393L346-L382 HydrophobicContact CB-CD1 4.4Å; L346-L382 HydrophobicContact CD1-CD1 4.21Å; S347-L382 PolarHBondContact O-N 3.31Å; F348-L382 CarbonylContact C-O 3.55Å; F348-L382 WeakPolarHBondContact CA-O 3.38Å; F348-L382 HydrophobicContact CD1-CB 4.09Å; F348-L382 HydrophobicContact CE1-CB 4.18Å; E349-L382 PolarHBondContact N-O 3.49Å; L382-Y384 PolarHBondContact O-N 2.7Å; L382-L390 HydrophobicContact CD1-CB 4.14Å; L382-L390 HydrophobicContact CD1-CD1 3.95Å; L382-K393 HydrophobicContact CD1-CB 4.24Å; L382-K393 HydrophobicContact CD2-CB 4.4Å; L382-K393 HydrophobicContact CD2-CG 3.88Å
383P97Very high95.8Very high34 Ų3465.3 Ų65.322%0.22134%0.338CS..  trans-55.2127.7172.2-25.734.7000111E386P383-E386 HydrophobicContact CB-CB 4.12Å; P383-E386 HydrophobicContact CB-CG 3.97Å; P383-E386 WeakPolarHBondContact CB-OE1 3.19Å; P383-E386 PolarHBondContact O-N 2.9Å
384Y95.9Very high95.7Very high22 Ų2262.9 Ų62.99%0.08633%0.331CS..THydrogen-bonded Turntrans-67.6147.2179.8-169-116.6000110.3F348 L382 E386 E404 Q407 I413 A415 M419F348-Y384 HydrophobicContact CB-CD2 3.71Å; F348-Y384 HydrophobicContact CB-CG 4.37Å; F348-Y384 HydrophobicContact CD1-CD2 4.11Å; F348-Y384 HydrophobicContact CD2-CD2 4.29Å; F348-Y384 AromaticContact CG-CD2 3.74Å; F348-Y384 HydrophobicContact CG-CD2 3.74Å; L382-Y384 PolarHBondContact O-N 2.7Å; Y384-E386 PolarHBondContact O-N 3.09Å; Y384-E386 VanDerWaalsContact O-N 3.16Å; Y384-E404 PolarHBondContact OH-O 2.84Å; Y384-Q407 HydrophobicContact CD1-CG 4.18Å; Y384-Q407 VanDerWaalsContact CD1-OE1 3.3Å; Y384-Q407 HydrophobicContact CD2-CG 4.4Å; Y384-Q407 HydrophobicContact CE1-CG 3.96Å; Y384-Q407 HydrophobicContact CE2-CG 4.16Å; Y384-Q407 HydrophobicContact CG-CG 4.39Å; Y384-I413 HydrophobicContact CD1-CB 4.46Å; Y384-I413 HydrophobicContact CD1-CG2 3.81Å; Y384-I413 HydrophobicContact CE1-CB 4.42Å; Y384-I413 HydrophobicContact CE1-CG2 3.95Å; Y384-A415 WeakPolarHBondContact OH-CB 3.34Å; Y384-A415 PolarHBondContact OH-N 2.9Å; Y384-M419 HydrophobicContact CD2-CE 3.74Å; Y384-M419 HydrophobicContact CE2-CE 3.7Å; Y384-M419 HydrophobicContact CE2-CG 4.48Å
385N95.2Very high95.6Very high40 Ų4060.6 Ų60.621%0.21431%0.313CS..THydrogen-bonded Turntrans63.96.2-175.9-75.4-34.8000116.7P414 A415 N416N385-P414 PolarHBondContact ND2-O 3.06Å; N385-A415 WeakPolarHBondContact OD1-CA 3.32Å; N385-N416 WeakPolarHBondContact CB-ND2 3.34Å; N385-N416 PolarHBondContact O-ND2 3.25Å; N385-N416 PolarHBondContact OD1-N 3.05Å
386E94.8Very high95.5Very high104 Ų10465.4 Ų65.449%0.48634%0.335SS..  trans-105110175-64-171.2-14500112.3P383 Y384 P389P383-E386 HydrophobicContact CB-CB 4.12Å; P383-E386 HydrophobicContact CB-CG 3.97Å; P383-E386 WeakPolarHBondContact CB-OE1 3.19Å; P383-E386 PolarHBondContact O-N 2.9Å; Y384-E386 PolarHBondContact O-N 3.09Å; Y384-E386 VanDerWaalsContact O-N 3.16Å; E386-P389 HydrophobicContact CB-CG 4.14Å
387L91.9Very high95.4Very high26 Ų2667.2 Ų67.214%0.13634%0.343CS..Hα-helixtrans-78.2-25.1-177.4-74.6-167.9000114.9L390 K391 E418 M419 V422L387-L390 HydrophobicContact CD2-CD2 4.07Å; L387-L390 PolarHBondContact O-N 3.32Å; L387-K391 WeakPolarHBondContact O-CB 3.5Å; L387-K391 VanDerWaalsContact O-CG 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.3Å; L387-K391 PolarHBondContact O-N 2.94Å; L387-E418 HydrophobicContact CD1-CB 3.53Å; L387-E418 HydrophobicContact CG-CB 4.18Å; L387-M419 HydrophobicContact CD2-SD 4.34Å; L387-V422 HydrophobicContact CD2-CG2 3.55Å
388A94.8Very high95.4Very high73 Ų7359.7 Ų59.760%0.60331%0.308SS*.Hα-helixtrans-64.5-50.5-177.300000111.9L390 K391 E392A388-L390 VanDerWaalsContact C-N 3.28Å; A388-L390 PolarHBondContact O-N 3.41Å; A388-K391 PolarHBondContact O-N 3.29Å; A388-E392 PolarHBondContact O-N 3.18Å
389P95.3Very high95.4Very high28 Ų2859.2 Ų59.218%0.18230%0.302CS..Hα-helixtrans-58.4-38.8173.9-24.634.5000113.1E386 E392 K393E386-P389 HydrophobicContact CB-CG 4.14Å; P389-E392 PolarHBondContact O-N 3.01Å; P389-K393 WeakPolarHBondContact O-CB 3.42Å; P389-K393 WeakPolarHBondContact O-CG 3.42Å; P389-K393 PolarHBondContact O-N 3.12Å
390L94.3Very high95.4Very high6 Ų659.5 Ų59.53%0.03131%0.308CS..Hα-helixtrans-62.5-48.4176.8178.261.5000112.1L346 F348 L382 L387 A388 E392 K393 L394 V401 V422L346-L390 HydrophobicContact CD1-CD1 3.84Å; F348-L390 HydrophobicContact CZ-CD1 4.24Å; F348-L390 HydrophobicContact CZ-CD2 4.32Å; L382-L390 HydrophobicContact CD1-CB 4.14Å; L382-L390 HydrophobicContact CD1-CD1 3.95Å; L387-L390 HydrophobicContact CD2-CD2 4.07Å; L387-L390 PolarHBondContact O-N 3.32Å; A388-L390 VanDerWaalsContact C-N 3.28Å; A388-L390 PolarHBondContact O-N 3.41Å; L390-E392 VanDerWaalsContact C-N 3.29Å; L390-E392 PolarHBondContact O-N 3.36Å; L390-K393 PolarHBondContact O-N 2.94Å; L390-L394 WeakPolarHBondContact O-CB 3.35Å; L390-L394 PolarHBondContact O-N 2.88Å; L390-V401 HydrophobicContact CD1-CG1 4.2Å; L390-V401 HydrophobicContact CD1-CG2 4.19Å; L390-V422 HydrophobicContact CD2-CG1 3.97Å; L390-V422 HydrophobicContact CD2-CG2 3.84Å
391K92.7Very high95.3Very high150 Ų15059.2 Ų59.265%0.65231%0.308SS*.Hα-helixtrans-62.8-37.4178.7-74171.8-176.81730112.2L387 A388L387-K391 WeakPolarHBondContact O-CB 3.5Å; L387-K391 VanDerWaalsContact O-CG 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.3Å; L387-K391 PolarHBondContact O-N 2.94Å; A388-K391 PolarHBondContact O-N 3.29Å
392E95.4Very high95.2Very high154 Ų15457 Ų5772%0.7230%0.3SS*.Hα-helixtrans-66.8-42178.2-172.8-170.7150.600112A388 P389 L390A388-E392 PolarHBondContact O-N 3.18Å; P389-E392 PolarHBondContact O-N 3.01Å; L390-E392 VanDerWaalsContact C-N 3.29Å; L390-E392 PolarHBondContact O-N 3.36Å
393K94.8Very high95.1Very high80 Ų8058.8 Ų58.835%0.34831%0.309SS..Hα-helixtrans-84.4-19.5-176.5-68.9-75.6-174.2169.80113.9L346 D380 L382 P389 L390 N395 V398L346-K393 HydrophobicContact CD1-CB 4.08Å; L346-K393 HydrophobicContact CD2-CB 4.21Å; D380-K393 IonicContact OD2-NZ 2.83Å; L382-K393 HydrophobicContact CD1-CB 4.24Å; L382-K393 HydrophobicContact CD2-CB 4.4Å; L382-K393 HydrophobicContact CD2-CG 3.88Å; P389-K393 WeakPolarHBondContact O-CB 3.42Å; P389-K393 WeakPolarHBondContact O-CG 3.42Å; P389-K393 PolarHBondContact O-N 3.12Å; L390-K393 PolarHBondContact O-N 2.94Å; K393-N395 PolarHBondContact O-N 3.27Å; K393-N395 VanDerWaalsContact O-N 3.13Å; K393-V398 WeakPolarHBondContact O-CG2 3.37Å
394L93.5Very high95Very high80 Ų8058.8 Ų58.842%0.41931%0.306SS..  trans-73.9100.1177.7-170.868.5000110.4L346 L390 V398 V401L346-L394 HydrophobicContact CD1-CB 4.49Å; L346-L394 HydrophobicContact CD1-CD1 4.36Å; L390-L394 WeakPolarHBondContact O-CB 3.35Å; L390-L394 PolarHBondContact O-N 2.88Å; L394-V398 HydrophobicContact CD1-CB 4.3Å; L394-V398 HydrophobicContact CD1-CG1 4.05Å; L394-V401 HydrophobicContact CD1-CG2 4.04Å
395N93.3Very high94.9Very high64 Ų6462.8 Ų62.834%0.34233%0.333SS..SBendtrans-134.7-176.4-179.963.737.4000111.7K393 N397 V398K393-N395 PolarHBondContact O-N 3.27Å; K393-N395 VanDerWaalsContact O-N 3.13Å; N395-N397 PolarHBondContact O-N 3.37Å; N395-N397 VanDerWaalsContact O-N 3.08Å; N395-N397 WeakPolarHBondContact OD1-CA 3.21Å; N395-N397 WeakPolarHBondContact OD1-CB 3.38Å; N395-N397 PolarHBondContact OD1-N 2.97Å; N395-V398 PolarHBondContact O-N 3.33Å; N395-V398 VanDerWaalsContact O-N 3.1Å
396E93.8Very high94.9Very high130 Ų13065.4 Ų65.461%0.60735%0.346SS*.THydrogen-bonded Turntrans-65.1-8.2-178.371.5-71.6165.700114.8R342R342-E396 WeakPolarHBondContact CD-O 3.28Å; R342-E396 PolarHBondContact NE-O 3.07Å; R342-E396 PolarHBondContact NH2-O 3.39Å
397N94.7Very high94.9Very high88 Ų8860.5 Ų60.547%0.47132%0.323SS..THydrogen-bonded Turntrans-95.3-5.1176.1-57.9-63.7000112.9R342 K344 N395R342-N397 WeakPolarHBondContact CB-O 3.34Å; K344-N397 VanDerWaalsContact CB-O 3.31Å; K344-N397 WeakPolarHBondContact CB-O 3.48Å; N395-N397 PolarHBondContact O-N 3.37Å; N395-N397 VanDerWaalsContact O-N 3.08Å; N395-N397 WeakPolarHBondContact OD1-CA 3.21Å; N395-N397 WeakPolarHBondContact OD1-CB 3.38Å; N395-N397 PolarHBondContact OD1-N 2.97Å
398V97.7Very high94.9Very high7 Ų761.2 Ų61.24%0.04234%0.336CS..EExtended strand (participates in β ladder)trans-86.4127179.1179.70000110.5R342 K344 L346 K393 L394 N395 A400R342-V398 WeakPolarHBondContact CD-O 3.47Å; R342-V398 PolarHBondContact NH1-O 3.33Å; K344-V398 HydrophobicContact CD-CG2 4.34Å; K344-V398 HydrophobicContact CG-CG2 4.35Å; K344-V398 CarbonylContact O-C 3.59Å; K344-V398 WeakPolarHBondContact O-CA 3.24Å; L346-V398 HydrophobicContact CD1-CG1 4.17Å; L346-V398 HydrophobicContact CD1-CG2 4.12Å; L346-V398 HydrophobicContact CD2-CG2 4.28Å; L346-V398 HydrophobicContact CG-CG1 3.93Å; L346-V398 HydrophobicContact CG-CG2 4.13Å; K393-V398 WeakPolarHBondContact O-CG2 3.37Å; L394-V398 HydrophobicContact CD1-CB 4.3Å; L394-V398 HydrophobicContact CD1-CG1 4.05Å; N395-V398 PolarHBondContact O-N 3.33Å; N395-V398 VanDerWaalsContact O-N 3.1Å; V398-A400 WeakPolarHBondContact CG1-O 3.26Å
399A97.6Very high94.7Very high16 Ų1662.9 Ų62.913%0.13233%0.332CS..EExtended strand (participates in β ladder)trans-83.7-41.9175.700000112.2A336 R337 T340 R342 K344 I345A336-A399 HydrophobicContact CB-CB 4.4Å; R337-A399 HydrophobicContact CG-CB 4.39Å; T340-A399 WeakPolarHBondContact OG1-CB 3.3Å; R342-A399 HydrophobicContact CB-CB 3.95Å; R342-A399 WeakPolarHBondContact O-CB 3.38Å; K344-A399 WeakPolarHBondContact O-CB 3.44Å; K344-A399 PolarHBondContact O-N 3.1Å; I345-A399 HydrophobicContact CG1-CB 4.36Å
400A96.9Very high94.5Very high28 Ų2862.1 Ų62.123%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-159.2164.1-177.500000112.6A336 I345 L346 V398A336-A400 HydrophobicContact CB-CB 3.75Å; I345-A400 WeakPolarHBondContact CA-O 3.42Å; I345-A400 HydrophobicContact CG1-CB 4.49Å; L346-A400 PolarHBondContact N-O 3.16Å; V398-A400 WeakPolarHBondContact CG1-O 3.26Å
401V96.2Very high94.4Very high37 Ų3764.6 Ų64.622%0.22436%0.356CS..EExtended strand (participates in β ladder)trans-116.5124.1166.2-1780000107.5L346 F348 L390 L394L346-V401 HydrophobicContact CB-CG2 4.28Å; L346-V401 HydrophobicContact CD1-CG2 4.32Å; L346-V401 CarbonylContact O-C 3.45Å; L346-V401 WeakPolarHBondContact O-CA 3.33Å; F348-V401 HydrophobicContact CE2-CG1 3.76Å; F348-V401 HydrophobicContact CZ-CG1 3.86Å; L390-V401 HydrophobicContact CD1-CG1 4.2Å; L390-V401 HydrophobicContact CD1-CG2 4.19Å; L394-V401 HydrophobicContact CD1-CG2 4.04Å
402M96.5Very high94.4Very high21 Ų2163.7 Ų63.710%0.10336%0.357CS..  trans-104.3125.4176-67.2-178.769.900109.3N329 I333 I345 L346 F348 H353 A362N329-M402 HydrophobicContact CB-CE 4.11Å; I333-M402 HydrophobicContact CD1-CE 4.23Å; I333-M402 HydrophobicContact CD1-SD 4.07Å; I333-M402 HydrophobicContact CG1-CE 4.2Å; I333-M402 HydrophobicContact CG1-SD 3.66Å; I345-M402 HydrophobicContact CG2-CB 4.49Å; I345-M402 HydrophobicContact CG2-CG 3.81Å; I345-M402 HydrophobicContact CG2-SD 3.86Å; L346-M402 PolarHBondContact O-N 2.79Å; F348-M402 VanDerWaalsContact CD2-O 3.27Å; F348-M402 WeakPolarHBondContact CD2-O 3.39Å; F348-M402 VanDerWaalsContact CE2-O 3.3Å; F348-M402 WeakPolarHBondContact CE2-O 3.25Å; H353-M402 HydrophobicContact CB-CE 4.16Å; A362-M402 HydrophobicContact CB-CE 4.05Å; A362-M402 HydrophobicContact CB-SD 3.84Å
403L95Very high94.4Very high46 Ų4658.5 Ų58.524%0.24133%0.334CS..  trans-143.5148-179.369.194.2000111.1F348 M419F348-L403 HydrophobicContact CD2-CB 4Å; F348-L403 HydrophobicContact CE2-CB 3.71Å; L403-M419 HydrophobicContact CB-CE 4.33Å
404E95.1Very high94.5Very high35 Ų3558.5 Ų58.516%0.16434%0.341CS..  trans-90.7144164.4-6616383.300109S351 F352 Y384 I406 Q407S351-E404 WeakPolarHBondContact CA-OE2 3.46Å; S351-E404 WeakPolarHBondContact CB-OE2 3.35Å; F352-E404 PolarHBondContact N-OE2 3.38Å; Y384-E404 PolarHBondContact OH-O 2.84Å; E404-I406 VanDerWaalsContact C-N 3.27Å; E404-I406 WeakPolarHBondContact CB-O 3.49Å; E404-Q407 HydrophobicContact CB-CG 4.28Å
405V93.9Very high94.6Very high105 Ų10555.7 Ų55.764%0.63633%0.33SS*.SBendtrans-71.8-30.1172.2179.30000110.7A415V405-A415 VanDerWaalsContact O-CB 3.29Å; V405-A415 WeakPolarHBondContact O-CB 3.34Å; V405-A415 PolarHBondContact O-N 3.41Å
406I94.1Very high94.6Very high95 Ų9555.4 Ų55.449%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-138.9119.1170.9-55.7174000105.4E404 G408 I412 I413E404-I406 VanDerWaalsContact C-N 3.27Å; E404-I406 WeakPolarHBondContact CB-O 3.49Å; I406-G408 PolarHBondContact O-N 3.44Å; I406-I412 HydrophobicContact CG2-CG2 4.28Å; I406-I413 WeakPolarHBondContact CA-O 3.3Å
407Q95.1Very high94.5Very high1 Ų158.5 Ų58.51%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-70.8101170.7-66.2-177.5-47.900108.1E349 S351 Y384 E404 I412 I413E349-Q407 PolarHBondContact O-NE2 3.07Å; S351-Q407 VanDerWaalsContact N-NE2 3.19Å; Y384-Q407 HydrophobicContact CD1-CG 4.18Å; Y384-Q407 VanDerWaalsContact CD1-OE1 3.3Å; Y384-Q407 HydrophobicContact CD2-CG 4.4Å; Y384-Q407 HydrophobicContact CE1-CG 3.96Å; Y384-Q407 HydrophobicContact CE2-CG 4.16Å; Y384-Q407 HydrophobicContact CG-CG 4.39Å; E404-Q407 HydrophobicContact CB-CG 4.28Å; Q407-I412 CarbonylContact O-C 3.53Å; Q407-I412 WeakPolarHBondContact O-CA 3.36Å; Q407-I412 PolarHBondContact O-N 3.08Å; Q407-I413 HydrophobicContact CB-CB 4.22Å; Q407-I413 PolarHBondContact N-O 3.34Å; Q407-I413 PolarHBondContact O-N 3.2Å
408G92.4Very high94.2Very high41 Ų4160 Ų6042%0.42334%0.344SS..THydrogen-bonded Turntrans-71.4-65.6-176.900000110.9I406 G410 G411 I412I406-G408 PolarHBondContact O-N 3.44Å; G408-G410 PolarHBondContact O-N 3.32Å; G408-G411 PolarHBondContact O-N 2.96Å; G408-G411 VanDerWaalsContact O-N 3.11Å; G408-I412 PolarHBondContact O-N 3.19Å; G408-I412 VanDerWaalsContact O-N 3.11Å
409E91.5Very high93.8Very high109 Ų10959.6 Ų59.651%0.50934%0.342SS..THydrogen-bonded Turntrans-58.6-31.1178.3-69.4-65.9148.200112.8F352 G411F352-E409 HydrophobicContact CB-CB 3.78Å; F352-E409 HydrophobicContact CB-CG 3.93Å; F352-E409 HydrophobicContact CD1-CG 4.06Å; F352-E409 HydrophobicContact CD2-CG 4.21Å; F352-E409 HydrophobicContact CG-CB 4.15Å; F352-E409 HydrophobicContact CG-CG 3.81Å; E409-G411 PolarHBondContact O-N 2.76Å; E409-G411 VanDerWaalsContact O-N 3.1Å
410G90.5Very high93.2Very high11 Ų1160.8 Ų60.811%0.11335%0.352CS..THydrogen-bonded Turntrans-70.85.4176.900000115.2Q350 G408 I413Q350-G410 PolarHBondContact OE1-O 3.46Å; G408-G410 PolarHBondContact O-N 3.32Å; G410-I413 VanDerWaalsContact O-CD1 3.31Å; G410-I413 WeakPolarHBondContact O-CD1 3.41Å
411G92.1Very high92.5Very high58 Ų5861.3 Ų61.360%0.59835%0.354SS*.THydrogen-bonded Turntrans102.729.7179.600000114.7G408 E409G408-G411 PolarHBondContact O-N 2.96Å; G408-G411 VanDerWaalsContact O-N 3.11Å; E409-G411 PolarHBondContact O-N 2.76Å; E409-G411 VanDerWaalsContact O-N 3.1Å
412I92.1Very high91.6Very high132 Ų13260.7 Ų60.768%0.67735%0.35SS*.SBendtrans58.463.5177.2-43.5178.9000111.5I406 Q407 G408 P414I406-I412 HydrophobicContact CG2-CG2 4.28Å; Q407-I412 CarbonylContact O-C 3.53Å; Q407-I412 WeakPolarHBondContact O-CA 3.36Å; Q407-I412 PolarHBondContact O-N 3.08Å; G408-I412 PolarHBondContact O-N 3.19Å; G408-I412 VanDerWaalsContact O-N 3.11Å; I412-P414 WeakPolarHBondContact O-CD 3.12Å
413I96Very high90.1Very high45 Ų4562.2 Ų62.223%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-105.6107-177.8-51.2171.9000109.6Y384 I406 Q407 G410Y384-I413 HydrophobicContact CD1-CB 4.46Å; Y384-I413 HydrophobicContact CD1-CG2 3.81Å; Y384-I413 HydrophobicContact CE1-CB 4.42Å; Y384-I413 HydrophobicContact CE1-CG2 3.95Å; I406-I413 WeakPolarHBondContact CA-O 3.3Å; Q407-I413 HydrophobicContact CB-CB 4.22Å; Q407-I413 PolarHBondContact N-O 3.34Å; Q407-I413 PolarHBondContact O-N 3.2Å; G410-I413 VanDerWaalsContact O-CD1 3.31Å; G410-I413 WeakPolarHBondContact O-CD1 3.41Å
414P96.2Very high88.4Confident79 Ų7969.9 Ų69.951%0.51339%0.388SS..EExtended strand (participates in β ladder)trans-71.3144.4178-18.533000112.5N385 I412 N416N385-P414 PolarHBondContact ND2-O 3.06Å; I412-P414 WeakPolarHBondContact O-CD 3.12Å; P414-N416 PolarHBondContact O-N 3.45Å
415A95Very high86.4Confident22 Ų2276.6 Ų76.618%0.18242%0.417CS..PPolyproline II helixtrans-62.1129.3166.700000110.2Y384 N385 V405 M419 A420Y384-A415 WeakPolarHBondContact OH-CB 3.34Å; Y384-A415 PolarHBondContact OH-N 2.9Å; N385-A415 WeakPolarHBondContact OD1-CA 3.32Å; V405-A415 VanDerWaalsContact O-CB 3.29Å; V405-A415 WeakPolarHBondContact O-CB 3.34Å; V405-A415 PolarHBondContact O-N 3.41Å; A415-M419 HydrophobicContact CB-CB 4.31Å; A415-M419 HydrophobicContact CB-CG 4.17Å; A415-A420 HydrophobicContact CB-CB 4.42Å
416N94.3Very high84Confident57 Ų5776.1 Ų76.131%0.30541%0.414SS..PPolyproline II helixtrans-67164.9170.273.930000110.3N385 P414 E418 M419 A420N385-N416 WeakPolarHBondContact CB-ND2 3.34Å; N385-N416 PolarHBondContact O-ND2 3.25Å; N385-N416 PolarHBondContact OD1-N 3.05Å; P414-N416 PolarHBondContact O-N 3.45Å; N416-E418 PolarHBondContact O-N 2.79Å; N416-E418 VanDerWaalsContact O-N 3.16Å; N416-E418 PolarHBondContact OD1-N 2.89Å; N416-E418 VanDerWaalsContact OD1-N 3.1Å; N416-M419 PolarHBondContact O-N 3.02Å; N416-M419 VanDerWaalsContact OD1-CB 3.25Å; N416-M419 WeakPolarHBondContact OD1-CB 3.46Å; N416-M419 PolarHBondContact OD1-N 3.35Å; N416-A420 WeakPolarHBondContact O-CB 3.48Å; N416-A420 PolarHBondContact O-N 3.34Å
417K91Very high81.2Confident196 Ų19680.3 Ų80.385%0.85243%0.434SS*.Hα-helixtrans-56.5-35.4-176.7-71.2-176.8179.8177.10113S421K417-S421 PolarHBondContact O-N 3.49Å
418E88.7Confident80.5Confident118 Ų11884.3 Ų84.355%0.55146%0.455SS*.Hα-helixtrans-72.3-45.7-177.7-49.8-167.5151.500111L387 N416 S421 V422L387-E418 HydrophobicContact CD1-CB 3.53Å; L387-E418 HydrophobicContact CG-CB 4.18Å; N416-E418 PolarHBondContact O-N 2.79Å; N416-E418 VanDerWaalsContact O-N 3.16Å; N416-E418 PolarHBondContact OD1-N 2.89Å; N416-E418 VanDerWaalsContact OD1-N 3.1Å; E418-S421 WeakPolarHBondContact O-CB 3.39Å; E418-S421 PolarHBondContact O-N 3.18Å; E418-S421 VanDerWaalsContact O-N 3.09Å; E418-S421 PolarHBondContact O-OG 2.84Å; E418-V422 PolarHBondContact O-N 3.36Å
419M89.1Confident79.9Confident0 Ų086.5 Ų86.50%046%0.457CS..Hα-helixtrans-61.4-44.5174.6-173.857.7165.500111.6F348 Y384 L387 L403 A415 N416 S421 V422F348-M419 HydrophobicContact CD1-CE 3.7Å; F348-M419 HydrophobicContact CD2-CE 3.88Å; F348-M419 HydrophobicContact CE1-CE 3.26Å; F348-M419 HydrophobicContact CE1-SD 4.34Å; F348-M419 HydrophobicContact CE2-CE 3.49Å; F348-M419 VanDerWaalsContact CE2-CE 3.49Å; F348-M419 HydrophobicContact CG-CE 4Å; F348-M419 HydrophobicContact CZ-CE 3.16Å; F348-M419 HydrophobicContact CZ-SD 4.28Å; Y384-M419 HydrophobicContact CD2-CE 3.74Å; Y384-M419 HydrophobicContact CE2-CE 3.7Å; Y384-M419 HydrophobicContact CE2-CG 4.48Å; L387-M419 HydrophobicContact CD2-SD 4.34Å; L403-M419 HydrophobicContact CB-CE 4.33Å; A415-M419 HydrophobicContact CB-CB 4.31Å; A415-M419 HydrophobicContact CB-CG 4.17Å; N416-M419 PolarHBondContact O-N 3.02Å; N416-M419 VanDerWaalsContact OD1-CB 3.25Å; N416-M419 WeakPolarHBondContact OD1-CB 3.46Å; N416-M419 PolarHBondContact OD1-N 3.35Å; M419-S421 PolarHBondContact O-N 3.31Å; M419-S421 VanDerWaalsContact O-N 3.15Å; M419-V422 VanDerWaalsContact O-CB 3.28Å; M419-V422 WeakPolarHBondContact O-CB 3.39Å; M419-V422 WeakPolarHBondContact O-CG2 3.42Å; M419-V422 PolarHBondContact O-N 3.02Å; M419-V422 HydrophobicContact SD-CG2 4.31Å
420A85Confident79.3Confident41 Ų4185.3 Ų85.334%0.33945%0.454SS..Hα-helixtrans-59.5-27.8174.700000112.5A415 N416 S423A415-A420 HydrophobicContact CB-CB 4.42Å; N416-A420 WeakPolarHBondContact O-CB 3.48Å; N416-A420 PolarHBondContact O-N 3.34Å; A420-S423 PolarHBondContact O-OG 3.33Å
421S83.7Confident78.6Confident39 Ų3989.6 Ų89.627%0.27347%0.474SS..Hα-helixtrans-77-19.4178.184.20000114.2K417 E418 M419 S423 R424 K425K417-S421 PolarHBondContact O-N 3.49Å; E418-S421 WeakPolarHBondContact O-CB 3.39Å; E418-S421 PolarHBondContact O-N 3.18Å; E418-S421 VanDerWaalsContact O-N 3.09Å; E418-S421 PolarHBondContact O-OG 2.84Å; M419-S421 PolarHBondContact O-N 3.31Å; M419-S421 VanDerWaalsContact O-N 3.15Å; S421-S423 PolarHBondContact O-N 3.09Å; S421-R424 PolarHBondContact O-N 3.1Å; S421-K425 PolarHBondContact O-N 3.07Å
422V76.7Confident77.7Confident23 Ų2391.6 Ų91.614%0.13947%0.466CS..Hα-helixtrans-56.8-42175.6175.70000110L387 L390 E418 M419 R424 K425 T426L387-V422 HydrophobicContact CD2-CG2 3.55Å; L390-V422 HydrophobicContact CD2-CG1 3.97Å; L390-V422 HydrophobicContact CD2-CG2 3.84Å; E418-V422 PolarHBondContact O-N 3.36Å; M419-V422 VanDerWaalsContact O-CB 3.28Å; M419-V422 WeakPolarHBondContact O-CB 3.39Å; M419-V422 WeakPolarHBondContact O-CG2 3.42Å; M419-V422 PolarHBondContact O-N 3.02Å; M419-V422 HydrophobicContact SD-CG2 4.31Å; V422-R424 PolarHBondContact O-N 3Å; V422-K425 PolarHBondContact O-N 3.14Å; V422-T426 PolarHBondContact O-OG1 3.31Å
423S65.5Low76.8Confident53 Ų5388.9 Ų88.937%0.37145%0.452SS..Hα-helixtrans-58.3-19.1177.669.20000114.4A420 S421 M427A420-S423 PolarHBondContact O-OG 3.33Å; S421-S423 PolarHBondContact O-N 3.09Å; S423-M427 WeakPolarHBondContact O-CE 3.28Å
424R58.5Low75.4Confident208 Ų20892.1 Ų92.179%0.78547%0.468SS*.Hα-helixtrans-100.5-16.1-177.6-64.9-175.8-179.7174.60.4114.9S421 V422S421-R424 PolarHBondContact O-N 3.1Å; V422-R424 PolarHBondContact O-N 3Å
425K52.9Low73.8Confident176 Ų17693.1 Ų93.177%0.76547%0.465SS*.Hα-helixtrans-101.1-15.6-173.1-73.8-176.5177.7176.70114.2S421 V422S421-K425 PolarHBondContact O-N 3.07Å; V422-K425 PolarHBondContact O-N 3.14Å
426T44.4Very low72.1Confident95 Ų9599 Ų9958%0.58349%0.488SS*.  trans-95.7-4.6176.7200000114V422V422-T426 PolarHBondContact O-OG1 3.31Å
427M35Very low70Confident182 Ų182102.8 Ų102.890%0.89751%0.505SS*.  trans-98.50163.9-59.4-169.8-144.400109.3Y317 S423Y317-M427 PolarHBondContact OH-SD 3.02Å; S423-M427 WeakPolarHBondContact O-CE 3.28Å

Retrieved 427 of 427 residues in 999.8 ms (Link to these results)

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