A0A087YL51_POEFO Loading...

Sedoheptulokinase

Acts as a modulator of macrophage activation through control of glucose metabolism.

AlphaFold DB , UniProt , Accession A0A087YL51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 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
1P35.9Very low73.8Confident176 Ų17665.7 Ų65.7100%1.14341%0.408SS*.  0109.709.513.7000109.6V3P1-V3 PolarHBondContact O-N 3.48Å
2A37.9Very low75.8Confident97 Ų9762.2 Ų62.280%0.80239%0.385SS*.  trans-55.8127.1171.700000107.8M4A2-M4 PolarHBondContact O-N 3.41Å
3V44.9Very low77.6Confident140 Ų14057.5 Ų57.585%0.84836%0.355SS*.  trans-54.8110171.4177.60000105.6P1 S5P1-V3 PolarHBondContact O-N 3.48Å; V3-S5 PolarHBondContact O-N 3.25Å
4M54Low78.8Confident140 Ų14054.2 Ų54.269%0.6934%0.339SS*.  trans-54.5114175.2-77.7-175.5-86.600106.3A2 N6A2-M4 PolarHBondContact O-N 3.41Å; M4-N6 PolarHBondContact O-N 2.97Å
5S59.7Low79.6Confident70 Ų7052.5 Ų52.549%0.4933%0.328SS..  trans-69.6104.4-177.150.30000108.2V3 F7V3-S5 PolarHBondContact O-N 3.25Å; S5-F7 WeakPolarHBondContact O-CE2 3.42Å
6N89.6Confident80.4Confident83 Ų8355.3 Ų55.344%0.44434%0.344SS..  trans-69136.6173.7-73.1-8.7000110M4 A25M4-N6 PolarHBondContact O-N 2.97Å; N6-A25 WeakPolarHBondContact O-CB 3.41Å; N6-A25 PolarHBondContact O-N 2.88Å
7F96.5Very high81.3Confident14 Ų1454.4 Ų54.46%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-98.5153.7176.8-60.5-77.3000110.9S5 L22 L23 A24 A31 K73 H76 V77 S78S5-F7 WeakPolarHBondContact O-CE2 3.42Å; F7-L22 HydrophobicContact CB-CB 4.46Å; F7-L22 HydrophobicContact CB-CD2 4.26Å; F7-L22 HydrophobicContact CD1-CB 4.32Å; F7-L23 CarbonylContact C-O 3.51Å; F7-L23 VanDerWaalsContact CA-O 3.32Å; F7-L23 WeakPolarHBondContact CA-O 3.46Å; F7-A24 HydrophobicContact CD1-CB 4.42Å; F7-A24 HydrophobicContact CE1-CB 4.29Å; F7-A31 HydrophobicContact CD1-CB 4Å; F7-A31 HydrophobicContact CE1-CB 3.54Å; F7-K73 HydrophobicContact CD2-CB 3.78Å; F7-K73 HydrophobicContact CD2-CG 4.34Å; F7-K73 VanDerWaalsContact CD2-O 3.27Å; F7-K73 WeakPolarHBondContact CD2-O 3.35Å; F7-K73 HydrophobicContact CE1-CD 4.14Å; F7-K73 HydrophobicContact CE1-CG 4.37Å; F7-K73 HydrophobicContact CE2-CB 3.57Å; F7-K73 HydrophobicContact CE2-CD 4.3Å; F7-K73 HydrophobicContact CE2-CG 3.64Å; F7-K73 HydrophobicContact CG-CB 4.38Å; F7-K73 HydrophobicContact CZ-CB 4.02Å; F7-K73 HydrophobicContact CZ-CD 3.86Å; F7-K73 HydrophobicContact CZ-CG 3.66Å; F7-H76 HydrophobicContact CD2-CB 3.92Å; F7-H76 HydrophobicContact CE2-CB 4.23Å; F7-H76 PolarHBondContact N-O 3.5Å; F7-V77 HydrophobicContact CB-CG2 4.27Å; F7-V77 CarbonylContact O-C 3.57Å; F7-V77 WeakPolarHBondContact O-CA 3.29Å; F7-S78 PolarHBondContact O-N 3.38Å; F7-S78 PolarHBondContact O-OG 3.12Å
8I97.5Very high82.3Confident3 Ų351.3 Ų51.32%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-115124.4167.4-61.7168.1000106.8L23 A25 R79 A455 L458 C459I8-L23 HydrophobicContact CB-CB 4.42Å; I8-L23 PolarHBondContact N-O 3.11Å; I8-L23 PolarHBondContact O-N 3.01Å; I8-A25 HydrophobicContact CD1-CB 4.22Å; I8-R79 HydrophobicContact CG1-CB 4.5Å; I8-R79 HydrophobicContact CG2-CB 4.38Å; I8-A455 HydrophobicContact CG2-CB 3.97Å; I8-L458 HydrophobicContact CG2-CB 3.99Å; I8-L458 HydrophobicContact CG2-CD2 4.19Å; I8-C459 VanDerWaalsContact CD1-CA 3.45Å; I8-C459 HydrophobicContact CD1-CB 3.46Å; I8-C459 VanDerWaalsContact CD1-CB 3.46Å
9L98.4Very high83.1Confident0 Ų052.2 Ų52.20%032%0.32CS..EExtended strand (participates in β ladder)trans-87.7119.8176.8176.261.4000109.2I11 A20 V21 L22 L66 L69 V77 R79 V80 G81 W234 I237L9-I11 HydrophobicContact CD1-CG1 4.1Å; L9-I11 HydrophobicContact CD2-CD1 3.95Å; L9-I11 HydrophobicContact CD2-CG1 4.38Å; L9-I11 HydrophobicContact CG-CD1 4.1Å; L9-I11 HydrophobicContact CG-CG1 3.99Å; L9-A20 HydrophobicContact CD1-CB 4.35Å; L9-V21 WeakPolarHBondContact CA-O 3.2Å; L9-L22 HydrophobicContact CB-CD2 4.08Å; L9-L22 HydrophobicContact CD1-CD2 3.87Å; L9-L66 HydrophobicContact CD1-CD2 3.94Å; L9-L66 HydrophobicContact CD2-CD2 3.94Å; L9-L69 HydrophobicContact CD1-CD1 4.02Å; L9-V77 HydrophobicContact CB-CG1 3.85Å; L9-V77 HydrophobicContact CB-CG2 4.23Å; L9-R79 PolarHBondContact N-O 3.01Å; L9-V80 HydrophobicContact CB-CG2 4.48Å; L9-V80 HydrophobicContact CD2-CG1 4.28Å; L9-V80 HydrophobicContact CD2-CG2 4.35Å; L9-G81 PolarHBondContact O-N 3.41Å; L9-W234 HydrophobicContact CD2-CZ3 4.17Å; L9-I237 HydrophobicContact CD2-CD1 3.35Å
10G98.4Very high83.9Confident0 Ų049.6 Ų49.60%031%0.305CS..EExtended strand (participates in β ladder)trans-108.9130.4169.600000110.7A20 V21 G81 A451G10-A20 CarbonylContact O-C 3.47Å; G10-A20 WeakPolarHBondContact O-CA 3.43Å; G10-V21 PolarHBondContact N-O 3.15Å; G10-V21 PolarHBondContact O-N 3.1Å; G10-G81 WeakPolarHBondContact CA-O 3.49Å; G10-A451 WeakPolarHBondContact CA-O 3.26Å
11I98.8Very high84.6Confident0 Ų047.3 Ų47.30%029%0.291CS..EExtended strand (participates in β ladder)trans-125.5128.7178.9-58.1165.5000109.4L9 L13 V18 K19 A20 L66 G81 L82 T83 W234L9-I11 HydrophobicContact CD1-CG1 4.1Å; L9-I11 HydrophobicContact CD2-CD1 3.95Å; L9-I11 HydrophobicContact CD2-CG1 4.38Å; L9-I11 HydrophobicContact CG-CD1 4.1Å; L9-I11 HydrophobicContact CG-CG1 3.99Å; I11-L13 HydrophobicContact CG2-CD1 3.96Å; I11-L13 HydrophobicContact CG2-CG 4.39Å; I11-V18 HydrophobicContact CG2-CG1 3.97Å; I11-K19 CarbonylContact C-O 3.46Å; I11-K19 WeakPolarHBondContact CA-O 3.31Å; I11-A20 HydrophobicContact CG1-CB 4.13Å; I11-L66 HydrophobicContact CD1-CD1 4.41Å; I11-L66 HydrophobicContact CD1-CD2 4.16Å; I11-L66 HydrophobicContact CG1-CD2 4.49Å; I11-G81 PolarHBondContact N-O 2.61Å; I11-L82 WeakPolarHBondContact O-CA 3.33Å; I11-T83 WeakPolarHBondContact O-CG2 3.42Å; I11-T83 PolarHBondContact O-N 3.1Å; I11-W234 HydrophobicContact CD1-CH2 3.38Å; I11-W234 HydrophobicContact CD1-CZ2 4.39Å; I11-W234 HydrophobicContact CD1-CZ3 3.87Å
12D98.6Very high87.5Confident23 Ų2339 Ų3912%0.12324%0.236CC..EExtended strand (participates in β ladder)trans-108.7115.6172.1-179.634.3000110.6G14 V18 K19 T83 A451D12-G14 VanDerWaalsContact C-N 3.35Å; D12-G14 PolarHBondContact O-N 2.91Å; D12-V18 CarbonylContact O-C 3.58Å; D12-V18 VanDerWaalsContact O-CA 3.3Å; D12-V18 WeakPolarHBondContact O-CA 3.38Å; D12-K19 HydrophobicContact CB-CB 4.4Å; D12-K19 PolarHBondContact N-O 2.88Å; D12-K19 PolarHBondContact O-N 3.4Å; D12-T83 CarbonylContact C-O 3.54Å; D12-T83 WeakPolarHBondContact CA-O 3.47Å; D12-T83 HydrophobicContact CB-CG2 3.77Å; D12-A451 HydrophobicContact CB-CB 3.86Å
13L98.2Very high90.3Very high1 Ų134.3 Ų34.31%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-92.467.9173.8-62.997.2000109.8I11 I58 V62 L82 T83 G84 Q85 I168 Q169 V172I11-L13 HydrophobicContact CG2-CD1 3.96Å; I11-L13 HydrophobicContact CG2-CG 4.39Å; L13-I58 HydrophobicContact CD2-CG2 3.92Å; L13-V62 HydrophobicContact CD2-CG2 3.85Å; L13-V62 HydrophobicContact CG-CG2 4.34Å; L13-L82 HydrophobicContact CD1-CD2 4.11Å; L13-T83 WeakPolarHBondContact CD1-O 3.38Å; L13-T83 PolarHBondContact N-O 2.83Å; L13-G84 VanDerWaalsContact O-CA 3.31Å; L13-G84 WeakPolarHBondContact O-CA 3.37Å; L13-Q85 PolarHBondContact O-N 2.76Å; L13-I168 HydrophobicContact CB-CG2 4.06Å; L13-I168 HydrophobicContact CD2-CG1 3.97Å; L13-Q169 HydrophobicContact CD1-CB 4.05Å; L13-V172 HydrophobicContact CD2-CG2 3.8Å
14G94.5Very high92.7Very high12 Ų1228.2 Ų28.212%0.12416%0.162CC..  trans-70.2168.6177.800000113D12 T16 S17D12-G14 VanDerWaalsContact C-N 3.35Å; D12-G14 PolarHBondContact O-N 2.91Å; G14-T16 PolarHBondContact O-N 3.21Å; G14-S17 CarbonylContact C-O 3.58Å; G14-S17 WeakPolarHBondContact CA-O 3.34Å; G14-S17 PolarHBondContact N-O 2.84Å
15T91.1Very high94.1Very high28 Ų2823.2 Ų23.217%0.17214%0.143CC..SBendtrans-63.1-40.7-174.1-54.60000113.8Q53 Q85 W117T15-Q53 PolarHBondContact O-NE2 2.83Å; T15-Q85 VanDerWaalsContact CB-OE1 3.25Å; T15-Q85 PolarHBondContact OG1-OE1 2.72Å; T15-W117 PolarHBondContact OG1-NE1 2.83Å
16T92.6Very high94.8Very high97 Ų9724.1 Ų24.160%0.59516%0.163SC*.SBendtrans-108.4-14.1-174.355.40000113.8G14 T38G14-T16 PolarHBondContact O-N 3.21Å; T16-T38 PolarHBondContact O-N 2.76Å; T16-T38 PolarHBondContact O-OG1 3.11Å
17S96.3Very high94.2Very high40 Ų4023.9 Ų23.928%0.2817%0.167SC..EExtended strand (participates in β ladder)trans-154.5151.4-175.959.40000111.6G14 E36G14-S17 CarbonylContact C-O 3.58Å; G14-S17 WeakPolarHBondContact CA-O 3.34Å; G14-S17 PolarHBondContact N-O 2.84Å; S17-E36 CarbonylContact C-O 3.52Å; S17-E36 WeakPolarHBondContact CA-O 3.45Å; S17-E36 VanDerWaalsContact CB-O 3.31Å; S17-E36 WeakPolarHBondContact CB-O 3.15Å
18V98.1Very high93.6Very high0 Ų029.5 Ų29.50%019%0.188CC..EExtended strand (participates in β ladder)trans-100.2133.4166.8174.20000109.4I11 D12 S35 E36 T38 I58 A61 V62 C65I11-V18 HydrophobicContact CG2-CG1 3.97Å; D12-V18 CarbonylContact O-C 3.58Å; D12-V18 VanDerWaalsContact O-CA 3.3Å; D12-V18 WeakPolarHBondContact O-CA 3.38Å; V18-S35 CarbonylContact O-C 3.58Å; V18-S35 WeakPolarHBondContact O-CA 3.17Å; V18-E36 PolarHBondContact N-O 2.83Å; V18-E36 PolarHBondContact O-N 2.73Å; V18-T38 HydrophobicContact CG2-CG2 3.93Å; V18-I58 HydrophobicContact CG2-CG2 4.32Å; V18-A61 HydrophobicContact CB-CB 4.32Å; V18-A61 HydrophobicContact CG2-CB 3.99Å; V18-V62 HydrophobicContact CG1-CB 4.43Å; V18-V62 HydrophobicContact CG1-CG2 3.88Å; V18-V62 HydrophobicContact CG2-CG2 3.93Å; V18-C65 HydrophobicContact CG1-CB 4.4Å
19K98.4Very high93.2Very high67 Ų6733.2 Ų33.229%0.29121%0.211SC..EExtended strand (participates in β ladder)trans-118.1136.5173-173.2174.3-173.1168.90110.6I11 D12 V21 H34 D449 A451I11-K19 CarbonylContact C-O 3.46Å; I11-K19 WeakPolarHBondContact CA-O 3.31Å; D12-K19 HydrophobicContact CB-CB 4.4Å; D12-K19 PolarHBondContact N-O 2.88Å; D12-K19 PolarHBondContact O-N 3.4Å; K19-V21 HydrophobicContact CG-CG1 4.43Å; K19-H34 WeakPolarHBondContact CA-O 3.42Å; K19-H34 WeakPolarHBondContact CG-O 3.22Å; K19-D449 VanDerWaalsContact CE-OD2 3.24Å; K19-D449 WeakPolarHBondContact CE-OD2 3.08Å; K19-D449 IonicContact NZ-OD1 3.05Å; K19-D449 IonicContact NZ-OD2 2.73Å; K19-D449 PolarHBondContact NZ-OD2 3.09Å; K19-A451 HydrophobicContact CB-CB 4.28Å; K19-A451 HydrophobicContact CD-CB 4.29Å; K19-A451 HydrophobicContact CG-CB 4.09Å
20A98.6Very high93Very high1 Ų136.4 Ų36.41%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-126.6139.2173.600000110.3L9 G10 I11 G33 H34 L66 L69L9-A20 HydrophobicContact CD1-CB 4.35Å; G10-A20 CarbonylContact O-C 3.47Å; G10-A20 WeakPolarHBondContact O-CA 3.43Å; I11-A20 HydrophobicContact CG1-CB 4.13Å; A20-G33 CarbonylContact O-C 3.59Å; A20-G33 WeakPolarHBondContact O-CA 3.41Å; A20-H34 PolarHBondContact N-O 2.77Å; A20-H34 PolarHBondContact O-N 3.23Å; A20-L66 HydrophobicContact CB-CD2 3.93Å; A20-L69 HydrophobicContact CB-CD1 3.93Å
21V98.1Very high92.9Very high2 Ų238 Ų381%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-135.3144178.8-57.60000111.2L9 G10 K19 V30 A32 A451 V452 A455L9-V21 WeakPolarHBondContact CA-O 3.2Å; G10-V21 PolarHBondContact N-O 3.15Å; G10-V21 PolarHBondContact O-N 3.1Å; K19-V21 HydrophobicContact CG-CG1 4.43Å; V21-V30 HydrophobicContact CB-CG1 4.28Å; V21-V30 HydrophobicContact CG1-CG1 4.47Å; V21-A32 CarbonylContact C-O 3.58Å; V21-A32 WeakPolarHBondContact CA-O 3.5Å; V21-A451 HydrophobicContact CG1-CB 4.06Å; V21-A451 VanDerWaalsContact CG2-C 3.48Å; V21-A451 HydrophobicContact CG2-CB 3.97Å; V21-A451 VanDerWaalsContact CG2-O 3.31Å; V21-A451 WeakPolarHBondContact CG2-O 3.46Å; V21-V452 HydrophobicContact CG1-CG2 4.13Å; V21-V452 HydrophobicContact CG2-CG2 4.12Å; V21-A455 HydrophobicContact CG2-CB 4.46Å
22L97.8Very high92.8Very high0 Ų039 Ų390%025%0.251CS..EExtended strand (participates in β ladder)trans-103.9111.8168.9-66.4175.7000108.8F7 L9 A31 A32 L69 K73 L74 V77F7-L22 HydrophobicContact CB-CB 4.46Å; F7-L22 HydrophobicContact CB-CD2 4.26Å; F7-L22 HydrophobicContact CD1-CB 4.32Å; L9-L22 HydrophobicContact CB-CD2 4.08Å; L9-L22 HydrophobicContact CD1-CD2 3.87Å; L22-A31 PolarHBondContact O-N 3.24Å; L22-A32 HydrophobicContact CB-CB 4.38Å; L22-A32 HydrophobicContact CD1-CB 4.25Å; L22-A32 PolarHBondContact N-O 2.89Å; L22-L69 HydrophobicContact CD1-CB 4.36Å; L22-L69 HydrophobicContact CD1-CD1 4.49Å; L22-L69 HydrophobicContact CG-CD1 4.2Å; L22-K73 HydrophobicContact CD1-CB 3.61Å; L22-K73 HydrophobicContact CD1-CD 4.34Å; L22-L74 HydrophobicContact CD1-CD2 4.31Å; L22-L74 HydrophobicContact CD2-CD2 4.13Å; L22-V77 HydrophobicContact CD2-CG2 3.63Å
23L96.4Very high92.7Very high0 Ų040 Ų400%027%0.267CS..EExtended strand (participates in β ladder)trans-91.9127.1175.4-168.378.2000109.6F7 I8 A25 R28 V30 A455 M456 C459F7-L23 CarbonylContact C-O 3.51Å; F7-L23 VanDerWaalsContact CA-O 3.32Å; F7-L23 WeakPolarHBondContact CA-O 3.46Å; I8-L23 HydrophobicContact CB-CB 4.42Å; I8-L23 PolarHBondContact N-O 3.11Å; I8-L23 PolarHBondContact O-N 3.01Å; L23-A25 PolarHBondContact O-N 3.48Å; L23-R28 VanDerWaalsContact CD1-C 3.49Å; L23-R28 WeakPolarHBondContact CD1-O 3.3Å; L23-V30 HydrophobicContact CD1-CG2 4.36Å; L23-A455 HydrophobicContact CB-CB 3.8Å; L23-A455 HydrophobicContact CD2-CB 4.02Å; L23-A455 HydrophobicContact CG-CB 4.47Å; L23-M456 HydrophobicContact CD1-CG 4.5Å; L23-M456 HydrophobicContact CD2-CG 3.97Å; L23-C459 HydrophobicContact CD2-CB 4.19Å
24A94.6Very high92.7Very high12 Ų1242.6 Ų42.610%0.09928%0.28CS..EExtended strand (participates in β ladder)trans-76.1113.1171.100000109.8F7 G26 C27 R28 T29 A31F7-A24 HydrophobicContact CD1-CB 4.42Å; F7-A24 HydrophobicContact CE1-CB 4.29Å; A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 2.95Å; A24-C27 PolarHBondContact O-N 3.16Å; A24-R28 PolarHBondContact O-N 3.04Å; A24-T29 PolarHBondContact N-O 3.4Å; A24-A31 HydrophobicContact CB-CB 4.46Å
25A84.1Confident92.9Very high35 Ų3544.9 Ų44.929%0.28929%0.294SS..THydrogen-bonded Turntrans-59-33.8-170.500000113.7N6 I8 L23 C27N6-A25 WeakPolarHBondContact O-CB 3.41Å; N6-A25 PolarHBondContact O-N 2.88Å; I8-A25 HydrophobicContact CD1-CB 4.22Å; L23-A25 PolarHBondContact O-N 3.48Å; A25-C27 PolarHBondContact O-N 2.95Å
26G74.9Confident93.2Very high88 Ų8845.2 Ų45.291%0.90729%0.293SS*.THydrogen-bonded Turntrans-72-21.6-17700000115.5A24A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 2.95Å
27C76.9Confident93.4Very high79 Ų7944.8 Ų44.853%0.53429%0.292SS..THydrogen-bonded Turntrans-136.96.6-173.6620000114.4A24 A25 T29A24-C27 PolarHBondContact O-N 3.16Å; A25-C27 PolarHBondContact O-N 2.95Å; C27-T29 PolarHBondContact O-N 3.3Å; C27-T29 PolarHBondContact O-OG1 3.45Å; C27-T29 VanDerWaalsContact O-OG1 3.12Å; C27-T29 PolarHBondContact SG-OG1 3.39Å; C27-T29 VanDerWaalsContact SG-OG1 3.41Å
28R83.1Confident93.3Very high132 Ų13243.2 Ų43.250%0.49828%0.281SS..THydrogen-bonded Turntrans4931.9-177.9-59.3-176.3179.1177.42.4113.6L23 A24 D460L23-R28 VanDerWaalsContact CD1-C 3.49Å; L23-R28 WeakPolarHBondContact CD1-O 3.3Å; A24-R28 PolarHBondContact O-N 3.04Å; R28-D460 VanDerWaalsContact CZ-CG 3.46Å; R28-D460 IonicContact CZ-OD1 2.78Å; R28-D460 IonicContact CZ-OD2 3.73Å; R28-D460 IonicContact NE-OD1 3.59Å; R28-D460 PolarHBondContact NE-OD1 3.36Å; R28-D460 VanDerWaalsContact NE-OD1 3.1Å; R28-D460 IonicContact NE-OD2 3.85Å; R28-D460 IonicContact NH1-OD1 3.86Å; R28-D460 IonicContact NH1-OD2 2.77Å; R28-D460 PolarHBondContact NH1-OD2 2.83Å; R28-D460 IonicContact NH2-OD1 2.7Å; R28-D460 PolarHBondContact NH2-OD1 3.29Å; R28-D460 IonicContact NH2-OD2 3.92Å; R28-D460 PolarHBondContact NH2-OD2 3.2Å
29T90Very high93.1Very high80 Ų8047.8 Ų47.849%0.49132%0.319SS..EExtended strand (participates in β ladder)trans-101136-179.9-560000109.3A24 C27 A31A24-T29 PolarHBondContact N-O 3.4Å; C27-T29 PolarHBondContact O-N 3.3Å; C27-T29 PolarHBondContact O-OG1 3.45Å; C27-T29 VanDerWaalsContact O-OG1 3.12Å; C27-T29 PolarHBondContact SG-OG1 3.39Å; C27-T29 VanDerWaalsContact SG-OG1 3.41Å; T29-A31 PolarHBondContact O-N 3.1Å; T29-A31 VanDerWaalsContact O-N 3.16Å
30V94.4Very high93Very high67 Ų6744.7 Ų44.741%0.40631%0.306SS..EExtended strand (participates in β ladder)trans-68.5110.8173.2179.60000108.5V21 L23 A32 V452V21-V30 HydrophobicContact CB-CG1 4.28Å; V21-V30 HydrophobicContact CG1-CG1 4.47Å; L23-V30 HydrophobicContact CD1-CG2 4.36Å; V30-A32 WeakPolarHBondContact CG1-O 3.49Å; V30-V452 HydrophobicContact CG2-CG1 4.33Å; V30-V452 HydrophobicContact CG2-CG2 3.73Å
31A95.4Very high92.8Very high35 Ų3549.4 Ų49.429%0.28933%0.331SS..EExtended strand (participates in β ladder)trans-87.9-22.7-177.700000113.1F7 L22 A24 T29 K73F7-A31 HydrophobicContact CD1-CB 4Å; F7-A31 HydrophobicContact CE1-CB 3.54Å; L22-A31 PolarHBondContact O-N 3.24Å; A24-A31 HydrophobicContact CB-CB 4.46Å; T29-A31 PolarHBondContact O-N 3.1Å; T29-A31 VanDerWaalsContact O-N 3.16Å; A31-K73 HydrophobicContact CB-CD 4.5Å; A31-K73 PolarHBondContact O-NZ 3.08Å
32A96.6Very high92.6Very high19 Ų1952.5 Ų52.516%0.15735%0.347CS..EExtended strand (participates in β ladder)trans-162.7156.4170.700000108.8V21 L22 V30 L69 P70V21-A32 CarbonylContact C-O 3.58Å; V21-A32 WeakPolarHBondContact CA-O 3.5Å; L22-A32 HydrophobicContact CB-CB 4.38Å; L22-A32 HydrophobicContact CD1-CB 4.25Å; L22-A32 PolarHBondContact N-O 2.89Å; V30-A32 WeakPolarHBondContact CG1-O 3.49Å; A32-L69 HydrophobicContact CB-CD2 4.2Å; A32-P70 HydrophobicContact CB-CG 4.04Å
33G97.2Very high92.1Very high44 Ų4457.5 Ų57.545%0.45438%0.382SS..EExtended strand (participates in β ladder)trans-164.7152.5170.500000111.1A20A20-G33 CarbonylContact O-C 3.59Å; A20-G33 WeakPolarHBondContact O-CA 3.41Å
34H98.1Very high91.4Very high57 Ų5759.9 Ų59.926%0.26439%0.394SS..EExtended strand (participates in β ladder)trans-143.8158.4179.5-166.772.3000110.1K19 A20 E36 C65 Q68 L69K19-H34 WeakPolarHBondContact CA-O 3.42Å; K19-H34 WeakPolarHBondContact CG-O 3.22Å; A20-H34 PolarHBondContact N-O 2.77Å; A20-H34 PolarHBondContact O-N 3.23Å; H34-E36 IonicContact CD2-OE1 3.1Å; H34-E36 IonicContact CE1-OE1 3.89Å; H34-E36 IonicContact NE2-OE1 2.98Å; H34-E36 PolarHBondContact NE2-OE1 3.46Å; H34-C65 VanDerWaalsContact C-SG 3.55Å; H34-C65 PolarHBondContact O-SG 3.18Å; H34-Q68 HydrophobicContact CB-CB 4.15Å; H34-L69 HydrophobicContact CB-CD2 4.09Å
35S97.5Very high90.8Very high60 Ų6066.6 Ų66.642%0.4243%0.428SS..EExtended strand (participates in β ladder)trans-138134.7177.5-171.50000110V18V18-S35 CarbonylContact O-C 3.58Å; V18-S35 WeakPolarHBondContact O-CA 3.17Å
36E97.6Very high90.7Very high34 Ų3468.4 Ų68.416%0.15944%0.439CS..EExtended strand (participates in β ladder)trans-125.1131.7-179.6-77.9-69.713900110.3S17 V18 H34 A61 R64 C65S17-E36 CarbonylContact C-O 3.52Å; S17-E36 WeakPolarHBondContact CA-O 3.45Å; S17-E36 VanDerWaalsContact CB-O 3.31Å; S17-E36 WeakPolarHBondContact CB-O 3.15Å; V18-E36 PolarHBondContact N-O 2.83Å; V18-E36 PolarHBondContact O-N 2.73Å; H34-E36 IonicContact CD2-OE1 3.1Å; H34-E36 IonicContact CE1-OE1 3.89Å; H34-E36 IonicContact NE2-OE1 2.98Å; H34-E36 PolarHBondContact NE2-OE1 3.46Å; E36-A61 HydrophobicContact CB-CB 4.21Å; E36-R64 HydrophobicContact CG-CB 3.93Å; E36-R64 IonicContact OE2-CZ 2.78Å; E36-R64 IonicContact OE2-NE 3.26Å; E36-R64 PolarHBondContact OE2-NE 3.3Å; E36-R64 IonicContact OE2-NH2 2.83Å; E36-C65 HydrophobicContact CB-CB 4.12Å; E36-C65 HydrophobicContact CG-CB 3.72Å
37P96.8Very high91Very high88 Ų8867.2 Ų67.257%0.57143%0.427SS*.EExtended strand (participates in β ladder)trans-66143.3169.829.3-33.2000110.5R64P37-R64 PolarHBondContact O-NH2 2.69Å; P37-R64 VanDerWaalsContact O-NH2 3.17Å
38T95.1Very high91.4Very high7 Ų766.1 Ų66.14%0.04342%0.415CS..  trans-83.6-42.8178.159.60000112.1T16 V18 A40 I58 A61T16-T38 PolarHBondContact O-N 2.76Å; T16-T38 PolarHBondContact O-OG1 3.11Å; V18-T38 HydrophobicContact CG2-CG2 3.93Å; T38-A40 PolarHBondContact O-N 3.12Å; T38-A40 PolarHBondContact OG1-N 2.99Å; T38-I58 HydrophobicContact CG2-CG1 4.33Å; T38-A61 HydrophobicContact CG2-CB 4.1Å
39A94Very high91.6Very high97 Ų9766.5 Ų66.580%0.80242%0.42SS*.  trans49.536.2-16700000112.5
40A95.7Very high91.7Very high2 Ų263 Ų632%0.01740%0.4CS..  trans-88-12.5-171.500000114.2T38 L42 Q53 D54 A57 I58T38-A40 PolarHBondContact O-N 3.12Å; T38-A40 PolarHBondContact OG1-N 2.99Å; A40-L42 PolarHBondContact O-N 2.94Å; A40-Q53 HydrophobicContact CB-CB 3.97Å; A40-Q53 HydrophobicContact CB-CG 4.25Å; A40-Q53 CarbonylContact O-C 3.57Å; A40-Q53 WeakPolarHBondContact O-CA 3.16Å; A40-D54 PolarHBondContact O-N 3.36Å; A40-A57 HydrophobicContact CB-CB 3.81Å; A40-I58 HydrophobicContact CB-CD1 4.23Å; A40-I58 HydrophobicContact CB-CG1 3.59Å
41D95Very high91.8Very high99 Ų9964.7 Ų64.753%0.52940%0.402SS..EExtended strand (participates in β ladder)trans-60.7127.5-176.5-71.6-19.5000111.8Q53D41-Q53 WeakPolarHBondContact OD1-CG 3.4Å; D41-Q53 PolarHBondContact OD1-NE2 3.15Å
42L93.5Very high91.9Very high68 Ų6865 Ų6536%0.35640%0.397SS..EExtended strand (participates in β ladder)trans-97.1137.1175.7-61.2176.2000110.4A40 E52 D54 Q113A40-L42 PolarHBondContact O-N 2.94Å; L42-E52 HydrophobicContact CD1-CB 4.26Å; L42-E52 PolarHBondContact N-O 2.96Å; L42-D54 HydrophobicContact CD2-CB 4.26Å; L42-Q113 HydrophobicContact CD1-CB 4.32Å; L42-Q113 HydrophobicContact CD1-CG 3.82Å
43S87.8Confident91.9Very high104 Ų10464.1 Ų64.173%0.72739%0.39SS*.PPolyproline II helixtrans-74.1131.1173.753.20000110.8
44D82.1Confident92Very high50 Ų5064.9 Ų64.927%0.26738%0.384SS..  trans-102.9108.7171.3176.533.4000110.5S46 K49 A50D44-S46 VanDerWaalsContact OD1-CB 3.32Å; D44-S46 WeakPolarHBondContact OD1-CB 3.39Å; D44-S46 PolarHBondContact OD1-N 2.77Å; D44-S46 PolarHBondContact OD1-OG 3.36Å; D44-K49 WeakPolarHBondContact OD2-CA 3.38Å; D44-K49 PolarHBondContact OD2-N 2.83Å; D44-A50 HydrophobicContact CB-CB 4.15Å; D44-A50 PolarHBondContact OD2-N 2.75Å
45D80.7Confident92Very high153 Ų15362.4 Ų62.482%0.81837%0.372SS*.  trans-990.5173.3-62.7-35.6000112.5G47D45-G47 VanDerWaalsContact C-N 3.34Å; D45-G47 PolarHBondContact O-N 2.91Å
46S82.3Confident92Very high74 Ų7460.2 Ų60.252%0.51736%0.36SS..SBendtrans-83.7-8.6-17474.80000114D44 I48D44-S46 VanDerWaalsContact OD1-CB 3.32Å; D44-S46 WeakPolarHBondContact OD1-CB 3.39Å; D44-S46 PolarHBondContact OD1-N 2.77Å; D44-S46 PolarHBondContact OD1-OG 3.36Å; S46-I48 PolarHBondContact O-N 2.85Å; S46-I48 WeakPolarHBondContact OG-CD1 3.49Å; S46-I48 VanDerWaalsContact OG-CG1 3.29Å; S46-I48 WeakPolarHBondContact OG-CG1 3.3Å
47G80.6Confident92Very high62 Ų6259.4 Ų59.464%0.63936%0.359SS*.SBendtrans76.9-0.317800000114.9D45 K49D45-G47 VanDerWaalsContact C-N 3.34Å; D45-G47 PolarHBondContact O-N 2.91Å; G47-K49 PolarHBondContact O-N 2.78Å
48I85.4Confident92.1Very high57 Ų5755.4 Ų55.429%0.29233%0.332SS..SBendtrans-78.9-3177.873.6-171.8000112.8S46 A50 R121 W150S46-I48 PolarHBondContact O-N 2.85Å; S46-I48 WeakPolarHBondContact OG-CD1 3.49Å; S46-I48 VanDerWaalsContact OG-CG1 3.29Å; S46-I48 WeakPolarHBondContact OG-CG1 3.3Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 HydrophobicContact CD1-CB 4.24Å; I48-A50 HydrophobicContact CG1-CB 3.95Å; I48-R121 HydrophobicContact CB-CG 4.21Å; I48-R121 HydrophobicContact CD1-CG 4.27Å; I48-R121 HydrophobicContact CG1-CG 3.88Å; I48-R121 WeakPolarHBondContact O-CG 3.48Å; I48-W150 HydrophobicContact CD1-CH2 4.28Å
49K88.1Confident92.2Very high139 Ų13955.1 Ų55.160%0.60433%0.33SS*.  trans62.639.1179.6-51.5176.1178.4174.50111.9D44 G47 R120D44-K49 WeakPolarHBondContact OD2-CA 3.38Å; D44-K49 PolarHBondContact OD2-N 2.83Å; G47-K49 PolarHBondContact O-N 2.78Å; K49-R120 HydrophobicContact CB-CB 3.89Å; K49-R120 HydrophobicContact CD-CB 4.35Å; K49-R120 PolarHBondContact O-N 2.91Å
50A92.4Very high92.4Very high8 Ų853.9 Ų53.97%0.06631%0.31CS..  trans-66.1142.6172.700000110.3D44 I48 E52 D119 R121D44-A50 HydrophobicContact CB-CB 4.15Å; D44-A50 PolarHBondContact OD2-N 2.75Å; I48-A50 VanDerWaalsContact C-N 3.31Å; I48-A50 HydrophobicContact CD1-CB 4.24Å; I48-A50 HydrophobicContact CG1-CB 3.95Å; A50-E52 HydrophobicContact CB-CG 4.42Å; A50-D119 VanDerWaalsContact CA-OD2 3.26Å; A50-D119 WeakPolarHBondContact CA-OD2 3.42Å; A50-R121 HydrophobicContact CB-CG 4.36Å
51K95.7Very high92.5Very high101 Ų10153.8 Ų53.844%0.43931%0.31SS..  trans-126.8100.4166.1-67.8-68-179.9-177.40108.5T116 Q118 D119K51-T116 WeakPolarHBondContact CB-OG1 3.25Å; K51-T116 PolarHBondContact O-N 3.44Å; K51-T116 PolarHBondContact O-OG1 3.37Å; K51-Q118 HydrophobicContact CB-CB 3.92Å; K51-Q118 HydrophobicContact CG-CB 3.8Å; K51-Q118 WeakPolarHBondContact CG-O 3.46Å; K51-D119 HydrophobicContact CB-CB 4.29Å; K51-D119 PolarHBondContact N-OD2 3.38Å
52E97.1Very high92.7Very high43 Ų4349.2 Ų49.220%0.20129%0.285CS..EExtended strand (participates in β ladder)trans-122.2154-174.8-63.9-174.1162.400111.2L42 A50 Q113 L114 V115 R121 Y151L42-E52 HydrophobicContact CD1-CB 4.26Å; L42-E52 PolarHBondContact N-O 2.96Å; A50-E52 HydrophobicContact CB-CG 4.42Å; E52-Q113 HydrophobicContact CB-CB 4.11Å; E52-Q113 HydrophobicContact CG-CB 4.44Å; E52-L114 CarbonylContact C-O 3.51Å; E52-L114 WeakPolarHBondContact CA-O 3.49Å; E52-V115 HydrophobicContact CG-CG2 4.37Å; E52-R121 VanDerWaalsContact CD-NH2 3.34Å; E52-R121 IonicContact OE1-CZ 3.19Å; E52-R121 IonicContact OE1-NH1 2.8Å; E52-R121 PolarHBondContact OE1-NH1 3.46Å; E52-R121 IonicContact OE1-NH2 3.14Å; E52-R121 PolarHBondContact OE1-NH2 2.94Å; E52-Y151 PolarHBondContact OE1-OH 3.25Å
53Q98Very high92.9Very high0 Ų046.5 Ų46.50%027%0.271CS..EExtended strand (participates in β ladder)trans-128.2144.7175.1-71.6-177.7-40.100111.3T15 A40 D41 P55 I58 Q113 L114 T116T15-Q53 PolarHBondContact O-NE2 2.83Å; A40-Q53 HydrophobicContact CB-CB 3.97Å; A40-Q53 HydrophobicContact CB-CG 4.25Å; A40-Q53 CarbonylContact O-C 3.57Å; A40-Q53 WeakPolarHBondContact O-CA 3.16Å; D41-Q53 WeakPolarHBondContact OD1-CG 3.4Å; D41-Q53 PolarHBondContact OD1-NE2 3.15Å; Q53-P55 VanDerWaalsContact O-CD 3.29Å; Q53-P55 WeakPolarHBondContact O-CD 3.45Å; Q53-I58 HydrophobicContact CB-CD1 4.06Å; Q53-Q113 PolarHBondContact O-OE1 3.5Å; Q53-L114 HydrophobicContact CB-CB 4.27Å; Q53-L114 HydrophobicContact CB-CD2 4.37Å; Q53-L114 PolarHBondContact N-O 2.89Å; Q53-L114 PolarHBondContact O-N 3.34Å; Q53-T116 HydrophobicContact CB-CG2 4.29Å; Q53-T116 HydrophobicContact CG-CG2 3.66Å
54D98Very high93.4Very high60 Ų6046.4 Ų46.432%0.32126%0.255SS..  trans-72.3111.9171.1175.520.6000110.8A40 L42 G56 A57 I58A40-D54 PolarHBondContact O-N 3.36Å; L42-D54 HydrophobicContact CD2-CB 4.26Å; D54-G56 PolarHBondContact O-N 2.96Å; D54-G56 WeakPolarHBondContact OD1-CA 3.47Å; D54-G56 PolarHBondContact OD1-N 3.25Å; D54-A57 HydrophobicContact CB-CB 4.04Å; D54-A57 PolarHBondContact O-N 3.24Å; D54-A57 PolarHBondContact OD2-N 3.03Å; D54-A57 VanDerWaalsContact OD2-N 3.11Å; D54-I58 PolarHBondContact O-N 2.79Å
55P97.9Very high94.1Very high4 Ų444.1 Ų44.13%0.02624%0.242CC..Hα-helixtrans-62.8-28.117628.4-35.7000112Q53 I58 I59 L90 T111 S112 Q113 I168Q53-P55 VanDerWaalsContact O-CD 3.29Å; Q53-P55 WeakPolarHBondContact O-CD 3.45Å; P55-I58 PolarHBondContact O-N 2.96Å; P55-I59 WeakPolarHBondContact O-CG1 3.47Å; P55-I59 PolarHBondContact O-N 2.77Å; P55-L90 HydrophobicContact CB-CD1 4.2Å; P55-L90 HydrophobicContact CB-CD2 4.35Å; P55-L90 HydrophobicContact CG-CD1 4.17Å; P55-T111 WeakPolarHBondContact CG-OG1 3.3Å; P55-S112 WeakPolarHBondContact CG-O 3.16Å; P55-Q113 VanDerWaalsContact CD-OE1 3.31Å; P55-I168 HydrophobicContact CB-CD1 4.38Å
56G97.9Very high94.9Very high15 Ų1536.9 Ų36.916%0.15520%0.204CC..Hα-helixtrans-59.5-50.5174.300000111.8D54 I58 I59 N60D54-G56 PolarHBondContact O-N 2.96Å; D54-G56 WeakPolarHBondContact OD1-CA 3.47Å; D54-G56 PolarHBondContact OD1-N 3.25Å; G56-I58 VanDerWaalsContact C-N 3.32Å; G56-I58 PolarHBondContact O-N 3.13Å; G56-I59 PolarHBondContact O-N 2.82Å; G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 PolarHBondContact O-N 3.11Å; G56-N60 PolarHBondContact O-ND2 2.79Å; G56-N60 VanDerWaalsContact O-ND2 3.13Å
57A98.3Very high95.6Very high17 Ų1736.3 Ų36.314%0.1420%0.204CC..Hα-helixtrans-57.6-41.5174.100000112.8A40 D54 A61A40-A57 HydrophobicContact CB-CB 3.81Å; D54-A57 HydrophobicContact CB-CB 4.04Å; D54-A57 PolarHBondContact O-N 3.24Å; D54-A57 PolarHBondContact OD2-N 3.03Å; D54-A57 VanDerWaalsContact OD2-N 3.11Å; A57-A61 PolarHBondContact O-N 3.09Å
58I98.5Very high96.4Very high3 Ų339.2 Ų39.22%0.01520%0.201CC..Hα-helixtrans-64.6-51.5177.7-61.4170.6000111.1L13 V18 T38 A40 Q53 D54 P55 G56 N60 A61 V62 L114 I168L13-I58 HydrophobicContact CD2-CG2 3.92Å; V18-I58 HydrophobicContact CG2-CG2 4.32Å; T38-I58 HydrophobicContact CG2-CG1 4.33Å; A40-I58 HydrophobicContact CB-CD1 4.23Å; A40-I58 HydrophobicContact CB-CG1 3.59Å; Q53-I58 HydrophobicContact CB-CD1 4.06Å; D54-I58 PolarHBondContact O-N 2.79Å; P55-I58 PolarHBondContact O-N 2.96Å; G56-I58 VanDerWaalsContact C-N 3.32Å; G56-I58 PolarHBondContact O-N 3.13Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 2.94Å; I58-A61 WeakPolarHBondContact O-CA 3.2Å; I58-A61 WeakPolarHBondContact O-CB 3.35Å; I58-A61 PolarHBondContact O-N 3.39Å; I58-V62 PolarHBondContact O-N 2.86Å; I58-L114 HydrophobicContact CD1-CD2 3.55Å; I58-I168 HydrophobicContact CD1-CG1 4.31Å; I58-I168 HydrophobicContact CG2-CG1 4.06Å
59I98.3Very high97Very high1 Ų137 Ų371%0.00519%0.189CC..Hα-helixtrans-66.7-34.2-179.6-61.7-44.3000111.4P55 G56 A61 V62 N63 F106 P108 Y171 V172P55-I59 WeakPolarHBondContact O-CG1 3.47Å; P55-I59 PolarHBondContact O-N 2.77Å; G56-I59 PolarHBondContact O-N 2.82Å; I59-A61 VanDerWaalsContact C-N 3.29Å; I59-A61 PolarHBondContact O-N 2.98Å; I59-V62 HydrophobicContact CD1-CG2 4.39Å; I59-V62 WeakPolarHBondContact O-CB 3.35Å; I59-V62 PolarHBondContact O-N 3.3Å; I59-N63 PolarHBondContact O-N 3.1Å; I59-N63 PolarHBondContact O-ND2 3.05Å; I59-F106 HydrophobicContact CD1-CE2 4.38Å; I59-F106 HydrophobicContact CD1-CZ 4.21Å; I59-F106 HydrophobicContact CG1-CE2 4.15Å; I59-F106 HydrophobicContact CG1-CZ 4.44Å; I59-F106 HydrophobicContact CG2-CD2 4.21Å; I59-F106 HydrophobicContact CG2-CE2 3.82Å; I59-F106 HydrophobicContact CG2-CZ 4.06Å; I59-P108 HydrophobicContact CB-CG 3.75Å; I59-P108 HydrophobicContact CG1-CG 3.46Å; I59-P108 VanDerWaalsContact CG1-CG 3.46Å; I59-P108 HydrophobicContact CG2-CG 4.3Å; I59-Y171 HydrophobicContact CD1-CE1 4.29Å; I59-Y171 HydrophobicContact CG1-CE1 4.21Å; I59-V172 HydrophobicContact CD1-CG2 3.42Å; I59-V172 VanDerWaalsContact CD1-CG2 3.42Å
60N97.6Very high97.4Very high71 Ų7132.4 Ų32.438%0.3817%0.174SC..Hα-helixtrans-61.7-37.8170.9-74.9-28.6000112.1G56 I58 N63 R64G56-N60 VanDerWaalsContact O-CB 3.26Å; G56-N60 WeakPolarHBondContact O-CB 3.45Å; G56-N60 PolarHBondContact O-N 3.11Å; G56-N60 PolarHBondContact O-ND2 2.79Å; G56-N60 VanDerWaalsContact O-ND2 3.13Å; I58-N60 VanDerWaalsContact C-N 3.3Å; I58-N60 PolarHBondContact O-N 2.94Å; N60-N63 PolarHBondContact O-N 3.39Å; N60-R64 WeakPolarHBondContact O-CG 3.5Å; N60-R64 PolarHBondContact O-N 2.91Å
61A98.4Very high97.6Very high0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-66.6-39.6173.100000112.1V18 E36 T38 A57 I58 I59 N63 R64 C65V18-A61 HydrophobicContact CB-CB 4.32Å; V18-A61 HydrophobicContact CG2-CB 3.99Å; E36-A61 HydrophobicContact CB-CB 4.21Å; T38-A61 HydrophobicContact CG2-CB 4.1Å; A57-A61 PolarHBondContact O-N 3.09Å; I58-A61 WeakPolarHBondContact O-CA 3.2Å; I58-A61 WeakPolarHBondContact O-CB 3.35Å; I58-A61 PolarHBondContact O-N 3.39Å; I59-A61 VanDerWaalsContact C-N 3.29Å; I59-A61 PolarHBondContact O-N 2.98Å; A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.04Å; A61-R64 PolarHBondContact O-N 3.44Å; A61-C65 WeakPolarHBondContact O-CB 3.46Å; A61-C65 PolarHBondContact O-N 3.41Å
62V98.4Very high97.5Very high3 Ų334 Ų342%0.01820%0.195CC..Hα-helixtrans-56.6-50.1170.51790000110.4L13 V18 I58 I59 R64 C65 L66 W234L13-V62 HydrophobicContact CD2-CG2 3.85Å; L13-V62 HydrophobicContact CG-CG2 4.34Å; V18-V62 HydrophobicContact CG1-CB 4.43Å; V18-V62 HydrophobicContact CG1-CG2 3.88Å; V18-V62 HydrophobicContact CG2-CG2 3.93Å; I58-V62 PolarHBondContact O-N 2.86Å; I59-V62 HydrophobicContact CD1-CG2 4.39Å; I59-V62 WeakPolarHBondContact O-CB 3.35Å; I59-V62 PolarHBondContact O-N 3.3Å; V62-R64 PolarHBondContact O-N 3.11Å; V62-C65 WeakPolarHBondContact O-CB 3.31Å; V62-C65 PolarHBondContact O-N 3.18Å; V62-C65 VanDerWaalsContact O-N 3.13Å; V62-L66 HydrophobicContact CG1-CD1 4.09Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 2.76Å; V62-W234 HydrophobicContact CG1-CH2 4.33Å; V62-W234 HydrophobicContact CG1-CZ2 3.78Å
63N97.5Very high97.5Very high11 Ų1134.4 Ų34.46%0.05920%0.196CC..Hα-helixtrans-62.8-43.5-178.3-71.6-30.7000112.5I59 N60 A61 C65 A67 Y105 F106 H235I59-N63 PolarHBondContact O-N 3.1Å; I59-N63 PolarHBondContact O-ND2 3.05Å; N60-N63 PolarHBondContact O-N 3.39Å; A61-N63 VanDerWaalsContact C-N 3.35Å; A61-N63 PolarHBondContact O-N 3.04Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 2.84Å; N63-A67 WeakPolarHBondContact O-CB 3.39Å; N63-A67 PolarHBondContact O-N 2.71Å; N63-A67 VanDerWaalsContact O-N 3.1Å; N63-Y105 WeakPolarHBondContact ND2-CD2 3.33Å; N63-Y105 WeakPolarHBondContact OD1-CB 3.43Å; N63-F106 PolarHBondContact ND2-O 3.18Å; N63-F106 VanDerWaalsContact ND2-O 3.12Å; N63-H235 PolarHBondContact O-CE1 2.57Å; N63-H235 PolarHBondContact OD1-NE2 3.43Å
64R97.5Very high97.4Very high103 Ų10334.6 Ų34.639%0.38920%0.197SC..Hα-helixtrans-61.9-41.7173-73.3-167.3-56.1-86.32.4111.4E36 P37 N60 A61 V62 A67 Q68E36-R64 HydrophobicContact CG-CB 3.93Å; E36-R64 IonicContact OE2-CZ 2.78Å; E36-R64 IonicContact OE2-NE 3.26Å; E36-R64 PolarHBondContact OE2-NE 3.3Å; E36-R64 IonicContact OE2-NH2 2.83Å; P37-R64 PolarHBondContact O-NH2 2.69Å; P37-R64 VanDerWaalsContact O-NH2 3.17Å; N60-R64 WeakPolarHBondContact O-CG 3.5Å; N60-R64 PolarHBondContact O-N 2.91Å; A61-R64 PolarHBondContact O-N 3.44Å; V62-R64 PolarHBondContact O-N 3.11Å; R64-A67 PolarHBondContact O-N 3.21Å; R64-Q68 WeakPolarHBondContact O-CG 3.44Å; R64-Q68 PolarHBondContact O-N 2.83Å
65C97.5Very high97.4Very high1 Ų137.4 Ų37.41%0.00721%0.209CC..Hα-helixtrans-65.2-44.3-176.3-167.20000111.7V18 H34 E36 A61 V62 N63 Q68V18-C65 HydrophobicContact CG1-CB 4.4Å; H34-C65 VanDerWaalsContact C-SG 3.55Å; H34-C65 PolarHBondContact O-SG 3.18Å; E36-C65 HydrophobicContact CB-CB 4.12Å; E36-C65 HydrophobicContact CG-CB 3.72Å; A61-C65 WeakPolarHBondContact O-CB 3.46Å; A61-C65 PolarHBondContact O-N 3.41Å; V62-C65 WeakPolarHBondContact O-CB 3.31Å; V62-C65 PolarHBondContact O-N 3.18Å; V62-C65 VanDerWaalsContact O-N 3.13Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 2.84Å; C65-Q68 PolarHBondContact O-N 3.5Å
66L97.9Very high97.3Very high1 Ų141 Ų411%0.00523%0.225CC..Hα-helixtrans-67.6-36.9176.2-65.2-179.7000112.8L9 I11 A20 V62 Q68 L69 W234 H235L9-L66 HydrophobicContact CD1-CD2 3.94Å; L9-L66 HydrophobicContact CD2-CD2 3.94Å; I11-L66 HydrophobicContact CD1-CD1 4.41Å; I11-L66 HydrophobicContact CD1-CD2 4.16Å; I11-L66 HydrophobicContact CG1-CD2 4.49Å; A20-L66 HydrophobicContact CB-CD2 3.93Å; V62-L66 HydrophobicContact CG1-CD1 4.09Å; V62-L66 HydrophobicContact CG1-CG 4.41Å; V62-L66 WeakPolarHBondContact O-CG 3.36Å; V62-L66 PolarHBondContact O-N 2.76Å; L66-Q68 PolarHBondContact O-N 3.47Å; L66-Q68 VanDerWaalsContact O-N 3.15Å; L66-L69 HydrophobicContact CD2-CD1 3.88Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.38Å; L66-W234 HydrophobicContact CD1-CD2 3.95Å; L66-W234 VanDerWaalsContact CD1-CE2 3.43Å; L66-W234 HydrophobicContact CD1-CE3 4.19Å; L66-W234 HydrophobicContact CD1-CH2 3.58Å; L66-W234 HydrophobicContact CD1-CZ2 3.26Å; L66-W234 HydrophobicContact CD1-CZ3 4Å; L66-H235 HydrophobicContact CB-CB 4.05Å
67A96.5Very high97.2Very high62 Ų6240.6 Ų40.651%0.51222%0.219SC..Hα-helixtrans-62.9-19.1176.300000113.8N63 R64N63-A67 WeakPolarHBondContact O-CB 3.39Å; N63-A67 PolarHBondContact O-N 2.71Å; N63-A67 VanDerWaalsContact O-N 3.1Å; R64-A67 PolarHBondContact O-N 3.21Å
68Q97.9Very high97.2Very high124 Ų12441.3 Ų41.358%0.57922%0.223SC*.THydrogen-bonded Turntrans-87.6-9.5174.5-61.9-57.1-49.100113.4H34 R64 C65 L66H34-Q68 HydrophobicContact CB-CB 4.15Å; R64-Q68 WeakPolarHBondContact O-CG 3.44Å; R64-Q68 PolarHBondContact O-N 2.83Å; C65-Q68 PolarHBondContact O-N 3.5Å; L66-Q68 PolarHBondContact O-N 3.47Å; L66-Q68 VanDerWaalsContact O-N 3.15Å
69L97.7Very high97.1Very high10 Ų1044 Ų445%0.05223%0.233CC..SBendtrans-82.2150.5177.9-62.3178.6000111.2L9 A20 L22 A32 H34 L66 G71 L74L9-L69 HydrophobicContact CD1-CD1 4.02Å; A20-L69 HydrophobicContact CB-CD1 3.93Å; L22-L69 HydrophobicContact CD1-CB 4.36Å; L22-L69 HydrophobicContact CD1-CD1 4.49Å; L22-L69 HydrophobicContact CG-CD1 4.2Å; A32-L69 HydrophobicContact CB-CD2 4.2Å; H34-L69 HydrophobicContact CB-CD2 4.09Å; L66-L69 HydrophobicContact CD2-CD1 3.88Å; L66-L69 WeakPolarHBondContact O-CB 3.45Å; L66-L69 PolarHBondContact O-N 3.38Å; L69-G71 PolarHBondContact O-N 3.35Å; L69-L74 HydrophobicContact CB-CD1 4.05Å; L69-L74 HydrophobicContact CB-CD2 4.23Å; L69-L74 HydrophobicContact CB-CG 4.2Å; L69-L74 HydrophobicContact CD1-CD2 4.2Å
70P97.1Very high97.1Very high43 Ų4343.9 Ų43.928%0.27923%0.233SC..  trans-63.7118.6-178.7-21.733.9000112A32 D72 K73 L74A32-P70 HydrophobicContact CB-CG 4.04Å; P70-D72 VanDerWaalsContact C-N 3.29Å; P70-D72 WeakPolarHBondContact CB-OD1 3.32Å; P70-D72 PolarHBondContact O-N 2.65Å; P70-K73 HydrophobicContact CB-CB 4.35Å; P70-K73 HydrophobicContact CB-CD 4.08Å; P70-K73 HydrophobicContact CB-CG 4.1Å; P70-K73 HydrophobicContact CG-CD 4.1Å; P70-K73 PolarHBondContact O-N 3.44Å; P70-L74 PolarHBondContact O-N 3.49Å
71G95.6Very high97.1Very high40 Ų4040.5 Ų40.541%0.41222%0.215SC..Hα-helixtrans-60.7-34.7-176.400000114.1L69 K73 L74 Q75L69-G71 PolarHBondContact O-N 3.35Å; G71-K73 PolarHBondContact O-N 2.96Å; G71-L74 PolarHBondContact O-N 2.79Å; G71-Q75 WeakPolarHBondContact O-CG 3.16Å; G71-Q75 PolarHBondContact O-N 3.4Å; G71-Q75 VanDerWaalsContact O-N 3.09Å
72D95.1Very high97.1Very high102 Ų10240.5 Ų40.555%0.54522%0.215SC..Hα-helixtrans-60.5-34.5173.764-50000112P70 H76P70-D72 VanDerWaalsContact C-N 3.29Å; P70-D72 WeakPolarHBondContact CB-OD1 3.32Å; P70-D72 PolarHBondContact O-N 2.65Å; D72-H76 PolarHBondContact O-CD2 3.23Å
73K95.9Very high97.1Very high51 Ų5140.4 Ų40.422%0.22221%0.214CC..Hα-helixtrans-80.7-36.9175.2-60.4-178.8-177.8160.90112.2F7 L22 A31 P70 G71 Q75 H76 V77F7-K73 HydrophobicContact CD2-CB 3.78Å; F7-K73 HydrophobicContact CD2-CG 4.34Å; F7-K73 VanDerWaalsContact CD2-O 3.27Å; F7-K73 WeakPolarHBondContact CD2-O 3.35Å; F7-K73 HydrophobicContact CE1-CD 4.14Å; F7-K73 HydrophobicContact CE1-CG 4.37Å; F7-K73 HydrophobicContact CE2-CB 3.57Å; F7-K73 HydrophobicContact CE2-CD 4.3Å; F7-K73 HydrophobicContact CE2-CG 3.64Å; F7-K73 HydrophobicContact CG-CB 4.38Å; F7-K73 HydrophobicContact CZ-CB 4.02Å; F7-K73 HydrophobicContact CZ-CD 3.86Å; F7-K73 HydrophobicContact CZ-CG 3.66Å; L22-K73 HydrophobicContact CD1-CB 3.61Å; L22-K73 HydrophobicContact CD1-CD 4.34Å; A31-K73 HydrophobicContact CB-CD 4.5Å; A31-K73 PolarHBondContact O-NZ 3.08Å; P70-K73 HydrophobicContact CB-CB 4.35Å; P70-K73 HydrophobicContact CB-CD 4.08Å; P70-K73 HydrophobicContact CB-CG 4.1Å; P70-K73 HydrophobicContact CG-CD 4.1Å; P70-K73 PolarHBondContact O-N 3.44Å; G71-K73 PolarHBondContact O-N 2.96Å; K73-Q75 VanDerWaalsContact C-N 3.28Å; K73-Q75 PolarHBondContact O-N 2.81Å; K73-H76 CarbonylContact O-C 3.56Å; K73-H76 PolarHBondContact O-N 3.08Å; K73-V77 PolarHBondContact O-N 2.76Å
74L96.8Very high97.1Very high4 Ų439.9 Ų39.92%0.02121%0.211CC..Hα-helixtrans-59.6-38.4177.4-72.6172.4000112.1L22 L69 P70 G71 H76 V77 H235 I237L22-L74 HydrophobicContact CD1-CD2 4.31Å; L22-L74 HydrophobicContact CD2-CD2 4.13Å; L69-L74 HydrophobicContact CB-CD1 4.05Å; L69-L74 HydrophobicContact CB-CD2 4.23Å; L69-L74 HydrophobicContact CB-CG 4.2Å; L69-L74 HydrophobicContact CD1-CD2 4.2Å; P70-L74 PolarHBondContact O-N 3.49Å; G71-L74 PolarHBondContact O-N 2.79Å; L74-H76 PolarHBondContact O-N 3.17Å; L74-H76 VanDerWaalsContact O-N 3.17Å; L74-V77 HydrophobicContact CD2-CG2 4.35Å; L74-V77 WeakPolarHBondContact O-CB 3.34Å; L74-V77 WeakPolarHBondContact O-CG2 3.44Å; L74-V77 PolarHBondContact O-N 3.4Å; L74-V77 VanDerWaalsContact O-N 3.09Å; L74-H235 HydrophobicContact CD1-CB 4.46Å; L74-H235 WeakPolarHBondContact CD1-O 3.48Å; L74-I237 HydrophobicContact CB-CG1 4.24Å; L74-I237 HydrophobicContact CD2-CD1 4.18Å; L74-I237 HydrophobicContact CD2-CG1 4Å
75Q96.2Very high97Very high119 Ų11935.1 Ų35.156%0.55619%0.194SC*.THydrogen-bonded Turntrans-62.6-19.3174.7-72.3174.6-500114.1G71 K73 G236G71-Q75 WeakPolarHBondContact O-CG 3.16Å; G71-Q75 PolarHBondContact O-N 3.4Å; G71-Q75 VanDerWaalsContact O-N 3.09Å; K73-Q75 VanDerWaalsContact C-N 3.28Å; K73-Q75 PolarHBondContact O-N 2.81Å; Q75-G236 WeakPolarHBondContact CA-O 3.37Å; Q75-G236 WeakPolarHBondContact CG-O 3.34Å
76H96.4Very high96.9Very high79 Ų7935.4 Ų35.437%0.36620%0.195SC..THydrogen-bonded Turntrans-107.616.4178.4-65-56.6000112.6F7 D72 K73 L74 S78F7-H76 HydrophobicContact CD2-CB 3.92Å; F7-H76 HydrophobicContact CE2-CB 4.23Å; F7-H76 PolarHBondContact N-O 3.5Å; D72-H76 PolarHBondContact O-CD2 3.23Å; K73-H76 CarbonylContact O-C 3.56Å; K73-H76 PolarHBondContact O-N 3.08Å; L74-H76 PolarHBondContact O-N 3.17Å; L74-H76 VanDerWaalsContact O-N 3.17Å; H76-S78 PolarHBondContact O-N 2.97Å
77V97.3Very high96.8Very high7 Ų737.1 Ų37.14%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-67.7122170.7172.40000108.9F7 L9 L22 K73 L74 R79 V80 I237 T241F7-V77 HydrophobicContact CB-CG2 4.27Å; F7-V77 CarbonylContact O-C 3.57Å; F7-V77 WeakPolarHBondContact O-CA 3.29Å; L9-V77 HydrophobicContact CB-CG1 3.85Å; L9-V77 HydrophobicContact CB-CG2 4.23Å; L22-V77 HydrophobicContact CD2-CG2 3.63Å; K73-V77 PolarHBondContact O-N 2.76Å; L74-V77 HydrophobicContact CD2-CG2 4.35Å; L74-V77 WeakPolarHBondContact O-CB 3.34Å; L74-V77 WeakPolarHBondContact O-CG2 3.44Å; L74-V77 PolarHBondContact O-N 3.4Å; L74-V77 VanDerWaalsContact O-N 3.09Å; V77-R79 VanDerWaalsContact CG1-O 3.25Å; V77-R79 WeakPolarHBondContact CG1-O 3.34Å; V77-V80 HydrophobicContact CG1-CG2 4.14Å; V77-I237 HydrophobicContact CB-CG1 4.42Å; V77-I237 HydrophobicContact CB-CG2 4.2Å; V77-I237 HydrophobicContact CG1-CG2 4.22Å; V77-I237 HydrophobicContact CG2-CG1 4.39Å; V77-T241 HydrophobicContact CG1-CG2 4.09Å
78S96.3Very high96.7Very high32 Ų3234.2 Ų34.222%0.22418%0.179CC..EExtended strand (participates in β ladder)trans-95.2-22.1179.859.30000113.3F7 H76 P242F7-S78 PolarHBondContact O-N 3.38Å; F7-S78 PolarHBondContact O-OG 3.12Å; H76-S78 PolarHBondContact O-N 2.97Å; S78-P242 WeakPolarHBondContact O-CD 3.15Å
79R96.7Very high96.8Very high59 Ų5928.3 Ų28.322%0.22315%0.151CC..EExtended strand (participates in β ladder)trans-154.7149.7-180-53.4177.5-162.2-116.49.6110.8I8 L9 V77 P242 L458 L462I8-R79 HydrophobicContact CG1-CB 4.5Å; I8-R79 HydrophobicContact CG2-CB 4.38Å; L9-R79 PolarHBondContact N-O 3.01Å; V77-R79 VanDerWaalsContact CG1-O 3.25Å; V77-R79 WeakPolarHBondContact CG1-O 3.34Å; R79-P242 CarbonylContact C-O 3.57Å; R79-P242 WeakPolarHBondContact CA-O 3.47Å; R79-L458 HydrophobicContact CB-CD2 4.02Å; R79-L462 PolarHBondContact NH1-O 2.88Å; R79-L462 PolarHBondContact NH1-OXT 2.62Å; R79-L462 PolarHBondContact NH2-O 2.75Å; R79-L462 PolarHBondContact NH2-OXT 3.49Å
80V98.4Very high96.8Very high0 Ų027.9 Ų27.90%015%0.149CC..EExtended strand (participates in β ladder)trans-117.6126.9174.5-175.50000109.9L9 V77 L82 L176 W234 I237 T241 P242 V243 G244 L458L9-V80 HydrophobicContact CB-CG2 4.48Å; L9-V80 HydrophobicContact CD2-CG1 4.28Å; L9-V80 HydrophobicContact CD2-CG2 4.35Å; V77-V80 HydrophobicContact CG1-CG2 4.14Å; V80-L82 HydrophobicContact CG1-CD1 3.67Å; V80-L176 HydrophobicContact CG1-CD1 4.36Å; V80-W234 HydrophobicContact CG1-CZ3 4Å; V80-I237 HydrophobicContact CG2-CG2 4.47Å; V80-T241 HydrophobicContact CG2-CG2 3.96Å; V80-P242 PolarHBondContact N-O 3.47Å; V80-V243 HydrophobicContact CB-CG2 4.33Å; V80-V243 WeakPolarHBondContact O-CA 3.32Å; V80-G244 PolarHBondContact O-N 3.46Å; V80-L458 VanDerWaalsContact C-CD2 3.46Å; V80-L458 WeakPolarHBondContact O-CD2 3.29Å
81G98.4Very high96.9Very high0 Ų025.8 Ų25.80%014%0.136CC..EExtended strand (participates in β ladder)trans-118.4135.717500000111L9 G10 I11 L458L9-G81 PolarHBondContact O-N 3.41Å; G10-G81 WeakPolarHBondContact CA-O 3.49Å; I11-G81 PolarHBondContact N-O 2.61Å; G81-L458 VanDerWaalsContact CA-CD2 3.45Å
82L98.7Very high97Very high0 Ų023.9 Ų23.90%012%0.116CC..EExtended strand (participates in β ladder)trans-122139.9179.4-68.793.9000111I11 L13 V80 Q169 V172 V173 L176 V243 A246 L247I11-L82 WeakPolarHBondContact O-CA 3.33Å; L13-L82 HydrophobicContact CD1-CD2 4.11Å; V80-L82 HydrophobicContact CG1-CD1 3.67Å; L82-Q169 HydrophobicContact CB-CB 4.39Å; L82-V172 HydrophobicContact CD2-CB 3.5Å; L82-V172 HydrophobicContact CD2-CG1 3.27Å; L82-V173 HydrophobicContact CB-CG2 4.06Å; L82-V173 HydrophobicContact CD1-CG2 3.76Å; L82-V173 HydrophobicContact CD2-CG2 4.35Å; L82-V173 HydrophobicContact CG-CG2 4.27Å; L82-L176 HydrophobicContact CD1-CD1 4.1Å; L82-V243 HydrophobicContact CD1-CG1 4.02Å; L82-A246 WeakPolarHBondContact O-CA 3.25Å; L82-L247 PolarHBondContact O-N 3.11Å
83T98.7Very high97.1Very high0 Ų022.8 Ų22.80%011%0.106CC..EExtended strand (participates in β ladder)trans-139.7163.6171-1720000108.4I11 D12 L13 L247 G248 D249 C252 S450 V454I11-T83 WeakPolarHBondContact O-CG2 3.42Å; I11-T83 PolarHBondContact O-N 3.1Å; D12-T83 CarbonylContact C-O 3.54Å; D12-T83 WeakPolarHBondContact CA-O 3.47Å; D12-T83 HydrophobicContact CB-CG2 3.77Å; L13-T83 WeakPolarHBondContact CD1-O 3.38Å; L13-T83 PolarHBondContact N-O 2.83Å; T83-L247 WeakPolarHBondContact CA-O 3.38Å; T83-L247 PolarHBondContact OG1-O 3.32Å; T83-G248 VanDerWaalsContact OG1-C 3.22Å; T83-G248 PolarHBondContact OG1-O 3.11Å; T83-D249 WeakPolarHBondContact OG1-CA 3.44Å; T83-D249 PolarHBondContact OG1-N 3.38Å; T83-D249 VanDerWaalsContact OG1-N 3.1Å; T83-C252 HydrophobicContact CG2-CB 4.32Å; T83-S450 WeakPolarHBondContact CG2-O 3.32Å; T83-V454 HydrophobicContact CG2-CB 4.12Å; T83-V454 HydrophobicContact CG2-CG1 3.94Å
84G96.9Very high97.1Very high0 Ų021.7 Ų21.70%011%0.106CC..EExtended strand (participates in β ladder)trans178.4-172.2177.600000113L13 M86 Q169 D249L13-G84 VanDerWaalsContact O-CA 3.31Å; L13-G84 WeakPolarHBondContact O-CA 3.37Å; G84-M86 PolarHBondContact O-N 3Å; G84-M86 VanDerWaalsContact O-N 3.14Å; G84-Q169 PolarHBondContact O-NE2 3.38Å; G84-D249 VanDerWaalsContact O-CB 3.31Å; G84-D249 WeakPolarHBondContact O-CB 3.47Å; G84-D249 VanDerWaalsContact O-CG 3.25Å; G84-D249 PolarHBondContact O-N 3.2Å
85Q95.1Very high96.7Very high4 Ų428.3 Ų28.32%0.01914%0.142CC..  trans-57.3118.8-176.163.7177.521.200111.9L13 T15 I168 Q169L13-Q85 PolarHBondContact O-N 2.76Å; T15-Q85 VanDerWaalsContact CB-OE1 3.25Å; T15-Q85 PolarHBondContact OG1-OE1 2.72Å; Q85-I168 HydrophobicContact CG-CG2 3.98Å; Q85-Q169 PolarHBondContact O-OE1 2.85Å
86M95.8Very high96.6Very high6 Ų624.3 Ų24.33%0.0313%0.127CC..  trans-72.5177.7178.4-64.617766.700112G84 G88 Q187 D249 F250 Q251 F297G84-M86 PolarHBondContact O-N 3Å; G84-M86 VanDerWaalsContact O-N 3.14Å; M86-G88 PolarHBondContact O-N 3.32Å; M86-Q187 WeakPolarHBondContact CE-O 3.43Å; M86-D249 VanDerWaalsContact CG-OD1 3.32Å; M86-D249 WeakPolarHBondContact CG-OD1 3.43Å; M86-F250 HydrophobicContact SD-CB 3.94Å; M86-Q251 PolarHBondContact SD-OE1 3Å; M86-F297 HydrophobicContact CE-CD1 4.36Å
87H95.1Very high96.6Very high38 Ų3820.6 Ų20.618%0.17611%0.11CC..SBendtrans71.5-45.7175.1-42.8-62.3000116.7W117 G142 F143 G144 S191 W192H87-W117 HydrophobicContact CB-CB 3.75Å; H87-G142 CarbonylContact C-O 3.17Å; H87-G142 VanDerWaalsContact O-O 3.1Å; H87-F143 HydrophobicContact CB-CD1 3.77Å; H87-F143 HydrophobicContact CB-CE1 3.94Å; H87-F143 AromaticContact CE1-CE1 3.89Å; H87-F143 AromaticContact CG-CE1 3.65Å; H87-F143 AromaticContact ND1-CD1 3.84Å; H87-F143 AromaticContact ND1-CE1 3.17Å; H87-F143 WeakPolarHBondContact ND1-CE1 3.28Å; H87-F143 AromaticContact ND1-CZ 3.63Å; H87-F143 CarbonylContact O-C 3.48Å; H87-F143 WeakPolarHBondContact O-CA 3.34Å; H87-G144 PolarHBondContact O-N 2.9Å; H87-S191 PolarHBondContact N-OG 3.5Å; H87-S191 WeakPolarHBondContact ND1-CB 3.42Å; H87-S191 PolarHBondContact ND1-O 3.5Å; H87-S191 PolarHBondContact ND1-OG 3.01Å; H87-W192 VanDerWaalsContact O-CD1 3.26Å; H87-W192 PolarHBondContact O-NE1 2.95Å
88G95.6Very high96.5Very high1 Ų121.5 Ų21.51%0.0112%0.117CC..  trans-64.4168-171.700000114.6M86 V115 W192M86-G88 PolarHBondContact O-N 3.32Å; G88-V115 CarbonylContact C-O 3.54Å; G88-V115 WeakPolarHBondContact CA-O 3.35Å; G88-W192 PolarHBondContact O-NE1 2.84Å
89V98.4Very high96.4Very high0 Ų022.6 Ų22.60%012%0.12CC..BIsolated β-bridgetrans-135.3131.5179.558.20000111.8F91 V115 T147 A165 G166 W192V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CE2 3.95Å; V89-F91 HydrophobicContact CG1-CZ 4.15Å; V89-F91 HydrophobicContact CG2-CD2 4.26Å; V89-F91 HydrophobicContact CG2-CE1 4.05Å; V89-F91 HydrophobicContact CG2-CE2 3.75Å; V89-F91 HydrophobicContact CG2-CZ 3.63Å; V89-V115 HydrophobicContact CG1-CB 4.08Å; V89-V115 PolarHBondContact N-O 2.96Å; V89-V115 PolarHBondContact O-N 3.08Å; V89-T147 HydrophobicContact CG1-CG2 3.46Å; V89-T147 VanDerWaalsContact CG1-CG2 3.46Å; V89-A165 HydrophobicContact CG2-CB 3.99Å; V89-G166 WeakPolarHBondContact CA-O 3.34Å; V89-W192 HydrophobicContact CB-CZ2 3.8Å; V89-W192 HydrophobicContact CG2-CH2 3.88Å; V89-W192 HydrophobicContact CG2-CZ2 3.58Å
90L98.7Very high96.2Very high0 Ų022.3 Ų22.30%012%0.119CC..EExtended strand (participates in β ladder)trans-113.5140.4167-177.567000108.4P55 W92 S112 L114 A165 G166 I168 Y171P55-L90 HydrophobicContact CB-CD1 4.2Å; P55-L90 HydrophobicContact CB-CD2 4.35Å; P55-L90 HydrophobicContact CG-CD1 4.17Å; L90-W92 HydrophobicContact CG-CE3 4.37Å; L90-W92 WeakPolarHBondContact O-CZ3 3.27Å; L90-S112 WeakPolarHBondContact CD1-O 3.23Å; L90-L114 HydrophobicContact CB-CD1 4.04Å; L90-L114 HydrophobicContact CD1-CB 4.22Å; L90-A165 VanDerWaalsContact O-CA 3.26Å; L90-A165 WeakPolarHBondContact O-CA 3.19Å; L90-G166 PolarHBondContact N-O 3.14Å; L90-G166 PolarHBondContact O-N 3.48Å; L90-G166 VanDerWaalsContact O-N 3.08Å; L90-I168 HydrophobicContact CD2-CD1 3.79Å; L90-Y171 HydrophobicContact CD2-CD1 3.77Å; L90-Y171 HydrophobicContact CD2-CD2 4Å; L90-Y171 HydrophobicContact CD2-CE1 4.33Å; L90-Y171 HydrophobicContact CD2-CG 3.58Å
91F98.8Very high95.7Very high0 Ų026.8 Ų26.80%015%0.15CC..EExtended strand (participates in β ladder)trans-109.8143.8173.9-56.3-92.9000110V89 T111 S112 I148 Y151 F158 L159 F162 V164 A165 L216V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CE2 3.95Å; V89-F91 HydrophobicContact CG1-CZ 4.15Å; V89-F91 HydrophobicContact CG2-CD2 4.26Å; V89-F91 HydrophobicContact CG2-CE1 4.05Å; V89-F91 HydrophobicContact CG2-CE2 3.75Å; V89-F91 HydrophobicContact CG2-CZ 3.63Å; F91-T111 CarbonylContact O-C 3.51Å; F91-T111 VanDerWaalsContact O-CA 3.26Å; F91-T111 WeakPolarHBondContact O-CA 3.45Å; F91-S112 WeakPolarHBondContact CD2-OG 3.1Å; F91-S112 PolarHBondContact N-OG 3.28Å; F91-S112 PolarHBondContact O-N 3.44Å; F91-I148 HydrophobicContact CE1-CD1 4.18Å; F91-I148 HydrophobicContact CE1-CG1 3.71Å; F91-I148 HydrophobicContact CZ-CD1 4.42Å; F91-I148 HydrophobicContact CZ-CG1 3.62Å; F91-Y151 HydrophobicContact CE2-CD2 4.29Å; F91-Y151 HydrophobicContact CE2-CE2 4.08Å; F91-Y151 HydrophobicContact CZ-CD2 4.35Å; F91-F158 AromaticContact CD2-CE1 3.76Å; F91-F158 HydrophobicContact CD2-CE1 3.76Å; F91-F158 HydrophobicContact CD2-CZ 4.06Å; F91-F158 AromaticContact CE2-CE1 3.92Å; F91-F158 HydrophobicContact CE2-CE1 3.92Å; F91-F158 HydrophobicContact CE2-CZ 4.49Å; F91-F158 HydrophobicContact CG-CE1 4.24Å; F91-L159 HydrophobicContact CD1-CD2 4.34Å; F91-L159 HydrophobicContact CE1-CD2 3.78Å; F91-L159 HydrophobicContact CZ-CD2 4.11Å; F91-F162 HydrophobicContact CB-CB 3.75Å; F91-F162 HydrophobicContact CB-CD1 3.87Å; F91-F162 HydrophobicContact CB-CD2 3.66Å; F91-F162 HydrophobicContact CB-CE1 4.39Å; F91-F162 HydrophobicContact CB-CE2 4.22Å; F91-F162 HydrophobicContact CB-CG 3.47Å; F91-F162 VanDerWaalsContact CB-CG 3.47Å; F91-F162 HydrophobicContact CG-CD2 4.31Å; F91-F162 HydrophobicContact CG-CG 4.46Å; F91-V164 WeakPolarHBondContact CA-O 3.16Å; F91-A165 HydrophobicContact CD1-CB 3.64Å; F91-A165 HydrophobicContact CE1-CB 3.81Å; F91-A165 HydrophobicContact CG-CB 4.45Å; F91-L216 HydrophobicContact CD1-CD1 4.41Å; F91-L216 HydrophobicContact CE1-CD1 4.13Å
92W98.4Very high94.7Very high0 Ų029.8 Ų29.80%017%0.166CC..EExtended strand (participates in β ladder)trans-149.3163174.665.399.6000112.1L90 D110 T111 S163 V164 G166 Y171 C182L90-W92 HydrophobicContact CG-CE3 4.37Å; L90-W92 WeakPolarHBondContact O-CZ3 3.27Å; W92-D110 WeakPolarHBondContact CA-O 3.45Å; W92-T111 HydrophobicContact CB-CG2 3.92Å; W92-S163 PolarHBondContact O-N 2.99Å; W92-V164 HydrophobicContact CD2-CB 3.94Å; W92-V164 HydrophobicContact CD2-CG1 4.15Å; W92-V164 HydrophobicContact CG-CB 4.27Å; W92-V164 HydrophobicContact CH2-CG1 3.81Å; W92-V164 HydrophobicContact CZ2-CB 3.93Å; W92-V164 HydrophobicContact CZ2-CG1 3.2Å; W92-V164 HydrophobicContact CZ3-CG1 4.48Å; W92-V164 PolarHBondContact N-O 3.1Å; W92-V164 PolarHBondContact O-N 2.95Å; W92-G166 VanDerWaalsContact CZ3-N 3.3Å; W92-Y171 HydrophobicContact CB-CD2 4.46Å; W92-Y171 HydrophobicContact CB-CE2 4.35Å; W92-Y171 AromaticContact CD2-CD2 3.73Å; W92-Y171 HydrophobicContact CD2-CD2 3.73Å; W92-Y171 HydrophobicContact CD2-CE2 4.41Å; W92-Y171 AromaticContact CE3-CD2 3.88Å; W92-Y171 HydrophobicContact CE3-CD2 3.88Å; W92-Y171 HydrophobicContact CG-CD2 4Å; W92-Y171 HydrophobicContact CG-CE2 4.21Å; W92-Y171 HydrophobicContact CZ2-CD2 4.48Å; W92-Y171 HydrophobicContact CZ3-CD2 4.33Å; W92-C182 HydrophobicContact CH2-CB 3.79Å; W92-C182 HydrophobicContact CZ2-CB 3.86Å
93K97.4Very high93.5Very high79 Ų7935.1 Ų35.134%0.34320%0.199SC..  trans-83.4129.2168.9-67-174.9-176.2170.70110.1S96 G97 D110 D161K93-S96 WeakPolarHBondContact CB-OG 3.46Å; K93-S96 PolarHBondContact O-N 3.16Å; K93-G97 WeakPolarHBondContact O-CA 3.24Å; K93-G97 PolarHBondContact O-N 2.63Å; K93-D110 HydrophobicContact CB-CB 4.03Å; K93-D110 HydrophobicContact CD-CB 3.93Å; K93-D110 HydrophobicContact CG-CB 4.07Å; K93-D110 PolarHBondContact N-O 3.19Å; K93-D110 VanDerWaalsContact N-O 3.16Å; K93-D161 WeakPolarHBondContact CE-O 3.47Å; K93-D161 VanDerWaalsContact CG-O 3.26Å; K93-D161 WeakPolarHBondContact CG-O 3.48Å
94A94.7Very high92.9Very high27 Ų2739.1 Ų39.122%0.22322%0.22CC..THydrogen-bonded Turntrans-53.4145.3167.400000110.1S96 S163 V164A94-S96 PolarHBondContact O-N 3.06Å; A94-S163 WeakPolarHBondContact CB-OG 3.42Å; A94-S163 PolarHBondContact N-OG 3.39Å; A94-V164 HydrophobicContact CB-CG2 3.96Å
95N89.7Confident92.8Very high143 Ų14342.8 Ų42.877%0.76523%0.234SC*.THydrogen-bonded Turntrans65.2-22.5-178.9-62.7-70.1000117.8D180N95-D180 VanDerWaalsContact CG-OD1 3.24Å; N95-D180 PolarHBondContact ND2-OD1 3.47Å; N95-D180 PolarHBondContact OD1-OD1 3.04Å
96S94.1Very high92.8Very high36 Ų3642.7 Ų42.725%0.25223%0.234SC..THydrogen-bonded Turntrans-120.18.6178.9730000114.4K93 A94 C98 R109 D110K93-S96 WeakPolarHBondContact CB-OG 3.46Å; K93-S96 PolarHBondContact O-N 3.16Å; A94-S96 PolarHBondContact O-N 3.06Å; S96-C98 PolarHBondContact O-N 2.89Å; S96-C98 VanDerWaalsContact O-N 3.09Å; S96-R109 CarbonylContact O-C 3.6Å; S96-R109 WeakPolarHBondContact O-CB 3.4Å; S96-R109 VanDerWaalsContact O-O 3.13Å; S96-D110 WeakPolarHBondContact CB-OD2 3.39Å; S96-D110 PolarHBondContact OG-OD2 2.97Å
97G94.5Very high92.9Very high1 Ų144.6 Ų44.61%0.0125%0.246CC..SBendtrans-61.9-12.1-179.800000115.5K93 R109 Y171 M175K93-G97 WeakPolarHBondContact O-CA 3.24Å; K93-G97 PolarHBondContact O-N 2.63Å; G97-R109 CarbonylContact C-O 2.91Å; G97-R109 WeakPolarHBondContact CA-O 3.5Å; G97-R109 PolarHBondContact O-N 2.89Å; G97-R109 VanDerWaalsContact O-N 3.17Å; G97-Y171 WeakPolarHBondContact O-CE2 3.4Å; G97-Y171 PolarHBondContact O-OH 2.84Å; G97-M175 VanDerWaalsContact C-SD 3.56Å
98C95.4Very high92.9Very high26 Ų2644.1 Ų44.118%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-150.4164.6175.262.90000111.6S96 W100 F106 T107 M175S96-C98 PolarHBondContact O-N 2.89Å; S96-C98 VanDerWaalsContact O-N 3.09Å; C98-W100 PolarHBondContact SG-NE1 3.18Å; C98-W100 VanDerWaalsContact SG-NE1 3.41Å; C98-F106 HydrophobicContact CB-CB 4.2Å; C98-F106 HydrophobicContact CB-CD2 3.61Å; C98-F106 HydrophobicContact CB-CE2 4.37Å; C98-F106 HydrophobicContact CB-CG 4.23Å; C98-T107 CarbonylContact C-O 3.5Å; C98-T107 WeakPolarHBondContact CA-O 3.34Å; C98-T107 WeakPolarHBondContact CB-O 3.37Å; C98-M175 HydrophobicContact CB-CB 4.33Å; C98-M175 HydrophobicContact CB-CG 3.94Å; C98-M175 HydrophobicContact CB-SD 3.58Å; C98-M175 VanDerWaalsContact CB-SD 3.58Å; C98-M175 PolarHBondContact SG-SD 3.32Å
99D94.6Very high93Very high54 Ų5450.7 Ų50.729%0.28927%0.27SS..EExtended strand (participates in β ladder)trans-117.3122.2167.7-176.714.4000110.4S101 F106 T107D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 3.45Å; D99-S101 PolarHBondContact OD1-OG 3.42Å; D99-S101 PolarHBondContact OD2-OG 3.44Å; D99-F106 VanDerWaalsContact O-CA 3.24Å; D99-F106 WeakPolarHBondContact O-CA 3.44Å; D99-T107 PolarHBondContact N-O 2.86Å; D99-T107 PolarHBondContact O-N 2.88Å
100W92.4Very high92.9Very high54 Ų5453.5 Ų53.521%0.20529%0.285CS..  trans-102.117.7175.5-77.298.2000112.5C98 N102 F106 M175 L176 W234C98-W100 PolarHBondContact SG-NE1 3.18Å; C98-W100 VanDerWaalsContact SG-NE1 3.41Å; W100-N102 CarbonylContact O-C 3.06Å; W100-N102 PolarHBondContact O-N 3.2Å; W100-N102 VanDerWaalsContact O-N 3.13Å; W100-F106 HydrophobicContact CD2-CB 3.6Å; W100-F106 HydrophobicContact CE3-CB 3.98Å; W100-F106 HydrophobicContact CG-CB 4.03Å; W100-F106 HydrophobicContact CH2-CB 4.21Å; W100-F106 AromaticContact CH2-CD1 3.73Å; W100-F106 HydrophobicContact CH2-CD1 3.73Å; W100-F106 HydrophobicContact CH2-CG 4.43Å; W100-F106 HydrophobicContact CZ2-CB 3.83Å; W100-F106 AromaticContact CZ2-CD1 3.48Å; W100-F106 HydrophobicContact CZ2-CD1 3.48Å; W100-F106 VanDerWaalsContact CZ2-CD1 3.48Å; W100-F106 HydrophobicContact CZ2-CE1 4.39Å; W100-F106 AromaticContact CZ2-CG 3.98Å; W100-F106 HydrophobicContact CZ2-CG 3.98Å; W100-F106 HydrophobicContact CZ3-CB 4.28Å; W100-F106 HydrophobicContact CZ3-CD1 4.47Å; W100-M175 PolarHBondContact NE1-O 3.24Å; W100-L176 HydrophobicContact CH2-CD2 4.03Å; W100-L176 HydrophobicContact CZ2-CD2 4.16Å; W100-W234 HydrophobicContact CH2-CB 4.35Å; W100-W234 HydrophobicContact CH2-CG 4.25Å
101S87.4Confident92.9Very high93 Ų9355.1 Ų55.165%0.6530%0.295SS*.  trans-58.3-24178.362.40000113.5D99D99-S101 WeakPolarHBondContact OD1-CB 3.4Å; D99-S101 PolarHBondContact OD1-N 3.45Å; D99-S101 PolarHBondContact OD1-OG 3.42Å; D99-S101 PolarHBondContact OD2-OG 3.44Å
102N78.2Confident92.8Very high63 Ų6355.5 Ų55.534%0.33730%0.298SS..SBendtrans-84.5118.6165.4-161.3-41.3000109.9W100 N104 Y105W100-N102 CarbonylContact O-C 3.06Å; W100-N102 PolarHBondContact O-N 3.2Å; W100-N102 VanDerWaalsContact O-N 3.13Å; N102-N104 PolarHBondContact O-N 3.12Å; N102-N104 PolarHBondContact OD1-N 3.28Å; N102-Y105 HydrophobicContact CB-CD1 4.42Å; N102-Y105 HydrophobicContact CB-CD2 4.47Å; N102-Y105 HydrophobicContact CB-CE1 4.15Å; N102-Y105 HydrophobicContact CB-CE2 4.19Å; N102-Y105 WeakPolarHBondContact ND2-CE1 3.41Å; N102-Y105 PolarHBondContact ND2-OH 3.46Å; N102-Y105 PolarHBondContact O-N 3.07Å
103V73Confident92.8Very high113 Ų11359 Ų5969%0.68531%0.314SS*.THydrogen-bonded Turntrans-58-17.7-172-173.70000113.4
104N87.2Confident92.8Very high84 Ų8455.2 Ų55.245%0.44930%0.298SS..THydrogen-bonded Turntrans-109.4-12.8-174.3-71.6-29.7000115.6N102 W234 H235N102-N104 PolarHBondContact O-N 3.12Å; N102-N104 PolarHBondContact OD1-N 3.28Å; N104-W234 CarbonylContact O-C 3.5Å; N104-W234 WeakPolarHBondContact O-CA 3.4Å; N104-H235 PolarHBondContact O-N 3.09Å
105Y94.3Very high93Very high77 Ų7754 Ų5430%0.30229%0.288SS..  trans-163160.7-177.664.5-96.2000112.2N63 N102 T107N63-Y105 WeakPolarHBondContact ND2-CD2 3.33Å; N63-Y105 WeakPolarHBondContact OD1-CB 3.43Å; N102-Y105 HydrophobicContact CB-CD1 4.42Å; N102-Y105 HydrophobicContact CB-CD2 4.47Å; N102-Y105 HydrophobicContact CB-CE1 4.15Å; N102-Y105 HydrophobicContact CB-CE2 4.19Å; N102-Y105 WeakPolarHBondContact ND2-CE1 3.41Å; N102-Y105 PolarHBondContact ND2-OH 3.46Å; N102-Y105 PolarHBondContact O-N 3.07Å; Y105-T107 HydrophobicContact CD2-CG2 4.34Å; Y105-T107 HydrophobicContact CE2-CG2 3.94Å
106F95.9Very high93.3Very high1 Ų147.2 Ų47.20%0.00425%0.252CS..  trans-102.7156.1173.577.3-88.1000112.9I59 N63 C98 D99 W100 Y171 V172 M175 L176I59-F106 HydrophobicContact CD1-CE2 4.38Å; I59-F106 HydrophobicContact CD1-CZ 4.21Å; I59-F106 HydrophobicContact CG1-CE2 4.15Å; I59-F106 HydrophobicContact CG1-CZ 4.44Å; I59-F106 HydrophobicContact CG2-CD2 4.21Å; I59-F106 HydrophobicContact CG2-CE2 3.82Å; I59-F106 HydrophobicContact CG2-CZ 4.06Å; N63-F106 PolarHBondContact ND2-O 3.18Å; N63-F106 VanDerWaalsContact ND2-O 3.12Å; C98-F106 HydrophobicContact CB-CB 4.2Å; C98-F106 HydrophobicContact CB-CD2 3.61Å; C98-F106 HydrophobicContact CB-CE2 4.37Å; C98-F106 HydrophobicContact CB-CG 4.23Å; D99-F106 VanDerWaalsContact O-CA 3.24Å; D99-F106 WeakPolarHBondContact O-CA 3.44Å; W100-F106 HydrophobicContact CD2-CB 3.6Å; W100-F106 HydrophobicContact CE3-CB 3.98Å; W100-F106 HydrophobicContact CG-CB 4.03Å; W100-F106 HydrophobicContact CH2-CB 4.21Å; W100-F106 AromaticContact CH2-CD1 3.73Å; W100-F106 HydrophobicContact CH2-CD1 3.73Å; W100-F106 HydrophobicContact CH2-CG 4.43Å; W100-F106 HydrophobicContact CZ2-CB 3.83Å; W100-F106 AromaticContact CZ2-CD1 3.48Å; W100-F106 HydrophobicContact CZ2-CD1 3.48Å; W100-F106 VanDerWaalsContact CZ2-CD1 3.48Å; W100-F106 HydrophobicContact CZ2-CE1 4.39Å; W100-F106 AromaticContact CZ2-CG 3.98Å; W100-F106 HydrophobicContact CZ2-CG 3.98Å; W100-F106 HydrophobicContact CZ3-CB 4.28Å; W100-F106 HydrophobicContact CZ3-CD1 4.47Å; F106-Y171 HydrophobicContact CE2-CE1 4.06Å; F106-V172 HydrophobicContact CE1-CG1 4.26Å; F106-V172 HydrophobicContact CZ-CG1 4.09Å; F106-V172 HydrophobicContact CZ-CG2 4.3Å; F106-M175 HydrophobicContact CD2-CB 4.27Å; F106-M175 HydrophobicContact CD2-CG 4.46Å; F106-M175 HydrophobicContact CE1-CB 4.25Å; F106-M175 HydrophobicContact CE2-CB 3.92Å; F106-M175 HydrophobicContact CE2-CG 4Å; F106-M175 HydrophobicContact CZ-CB 3.91Å; F106-M175 HydrophobicContact CZ-CG 4.36Å; F106-L176 HydrophobicContact CE1-CD2 4.15Å
107T96.3Very high93.2Very high47 Ų4750.4 Ų50.429%0.28826%0.258SS..EExtended strand (participates in β ladder)trans-116.5149.6165.855.70000110.2C98 D99 Y105C98-T107 CarbonylContact C-O 3.5Å; C98-T107 WeakPolarHBondContact CA-O 3.34Å; C98-T107 WeakPolarHBondContact CB-O 3.37Å; D99-T107 PolarHBondContact N-O 2.86Å; D99-T107 PolarHBondContact O-N 2.88Å; Y105-T107 HydrophobicContact CD2-CG2 4.34Å; Y105-T107 HydrophobicContact CE2-CG2 3.94Å
108P96.5Very high93Very high27 Ų2753.8 Ų53.818%0.17527%0.274CS..EExtended strand (participates in β ladder)trans-63.7143.4173.9-24.136.3000112.4I59 T111 Y171I59-P108 HydrophobicContact CB-CG 3.75Å; I59-P108 HydrophobicContact CG1-CG 3.46Å; I59-P108 VanDerWaalsContact CG1-CG 3.46Å; I59-P108 HydrophobicContact CG2-CG 4.3Å; P108-T111 HydrophobicContact CB-CG2 4.15Å; P108-Y171 VanDerWaalsContact CA-OH 3.31Å; P108-Y171 WeakPolarHBondContact CA-OH 3.37Å; P108-Y171 WeakPolarHBondContact CB-OH 3.19Å
109R96.3Very high93Very high139 Ų13952.6 Ų52.653%0.52527%0.266SS..  trans-146.9147.8174.1-178.2177.1177.8172.92.1109.3S96 G97 T111S96-R109 CarbonylContact O-C 3.6Å; S96-R109 WeakPolarHBondContact O-CB 3.4Å; S96-R109 VanDerWaalsContact O-O 3.13Å; G97-R109 CarbonylContact C-O 2.91Å; G97-R109 WeakPolarHBondContact CA-O 3.5Å; G97-R109 PolarHBondContact O-N 2.89Å; G97-R109 VanDerWaalsContact O-N 3.17Å; R109-T111 WeakPolarHBondContact O-CG2 3.36Å; R109-T111 PolarHBondContact O-N 3.37Å; R109-T111 VanDerWaalsContact O-N 3.09Å
110D96.8Very high92.9Very high59 Ų5958.5 Ų58.532%0.31628%0.284SS..SBendtrans5138178.2-59-26.1000113.5W92 K93 S96W92-D110 WeakPolarHBondContact CA-O 3.45Å; K93-D110 HydrophobicContact CB-CB 4.03Å; K93-D110 HydrophobicContact CD-CB 3.93Å; K93-D110 HydrophobicContact CG-CB 4.07Å; K93-D110 PolarHBondContact N-O 3.19Å; K93-D110 VanDerWaalsContact N-O 3.16Å; S96-D110 WeakPolarHBondContact CB-OD2 3.39Å; S96-D110 PolarHBondContact OG-OD2 2.97Å
111T98.1Very high93Very high34 Ų3457 Ų5721%0.20928%0.278CS..BIsolated β-bridgetrans-107153.2175.765.90000110.7P55 F91 W92 P108 R109 Y171P55-T111 WeakPolarHBondContact CG-OG1 3.3Å; F91-T111 CarbonylContact O-C 3.51Å; F91-T111 VanDerWaalsContact O-CA 3.26Å; F91-T111 WeakPolarHBondContact O-CA 3.45Å; W92-T111 HydrophobicContact CB-CG2 3.92Å; P108-T111 HydrophobicContact CB-CG2 4.15Å; R109-T111 WeakPolarHBondContact O-CG2 3.36Å; R109-T111 PolarHBondContact O-N 3.37Å; R109-T111 VanDerWaalsContact O-N 3.09Å; T111-Y171 HydrophobicContact CG2-CE2 3.85Å
112S98.3Very high93.4Very high8 Ų852.8 Ų52.86%0.05625%0.249CC..  trans-73.6179.7164.270.30000111.5P55 L90 F91P55-S112 WeakPolarHBondContact CG-O 3.16Å; L90-S112 WeakPolarHBondContact CD1-O 3.23Å; F91-S112 WeakPolarHBondContact CD2-OG 3.1Å; F91-S112 PolarHBondContact N-OG 3.28Å; F91-S112 PolarHBondContact O-N 3.44Å
113Q97.6Very high94.2Very high73 Ų7352.8 Ų52.834%0.34125%0.254SS..  trans-69.1151.8156.2-56.4-56-15.500110.3L42 E52 Q53 P55 V115L42-Q113 HydrophobicContact CD1-CB 4.32Å; L42-Q113 HydrophobicContact CD1-CG 3.82Å; E52-Q113 HydrophobicContact CB-CB 4.11Å; E52-Q113 HydrophobicContact CG-CB 4.44Å; Q53-Q113 PolarHBondContact O-OE1 3.5Å; P55-Q113 VanDerWaalsContact CD-OE1 3.31Å; Q113-V115 PolarHBondContact O-N 3.27Å
114L98.4Very high95.1Very high1 Ų151.2 Ų51.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-80.9115.1174.9171.159.8000109.2E52 Q53 I58 L90 I168E52-L114 CarbonylContact C-O 3.51Å; E52-L114 WeakPolarHBondContact CA-O 3.49Å; Q53-L114 HydrophobicContact CB-CB 4.27Å; Q53-L114 HydrophobicContact CB-CD2 4.37Å; Q53-L114 PolarHBondContact N-O 2.89Å; Q53-L114 PolarHBondContact O-N 3.34Å; I58-L114 HydrophobicContact CD1-CD2 3.55Å; L90-L114 HydrophobicContact CB-CD1 4.04Å; L90-L114 HydrophobicContact CD1-CB 4.22Å; L114-I168 HydrophobicContact CD1-CB 4.39Å; L114-I168 HydrophobicContact CD2-CB 3.78Å; L114-I168 HydrophobicContact CD2-CD1 4.4Å; L114-I168 HydrophobicContact CD2-CG1 4.15Å; L114-I168 HydrophobicContact CD2-CG2 4.17Å
115V98Very high95.4Very high0 Ų053.1 Ų53.10%026%0.258CS..EExtended strand (participates in β ladder)trans-79126.1170.4-177.30000108.7E52 G88 V89 Q113 D119 T147 Y151E52-V115 HydrophobicContact CG-CG2 4.37Å; G88-V115 CarbonylContact C-O 3.54Å; G88-V115 WeakPolarHBondContact CA-O 3.35Å; V89-V115 HydrophobicContact CG1-CB 4.08Å; V89-V115 PolarHBondContact N-O 2.96Å; V89-V115 PolarHBondContact O-N 3.08Å; Q113-V115 PolarHBondContact O-N 3.27Å; V115-D119 HydrophobicContact CG1-CB 3.65Å; V115-T147 HydrophobicContact CB-CG2 4.07Å; V115-T147 HydrophobicContact CG1-CG2 3.96Å; V115-T147 HydrophobicContact CG2-CG2 3.91Å; V115-Y151 HydrophobicContact CG2-CE2 4.31Å
116T95.9Very high95.5Very high2 Ų250.1 Ų50.11%0.01225%0.247CC..  trans-97.7169.1-172.879.30000113.2K51 Q53 Q118 D119K51-T116 WeakPolarHBondContact CB-OG1 3.25Å; K51-T116 PolarHBondContact O-N 3.44Å; K51-T116 PolarHBondContact O-OG1 3.37Å; Q53-T116 HydrophobicContact CB-CG2 4.29Å; Q53-T116 HydrophobicContact CG-CG2 3.66Å; T116-Q118 PolarHBondContact O-N 3.39Å; T116-Q118 VanDerWaalsContact O-N 3.09Å; T116-Q118 PolarHBondContact OG1-N 2.8Å; T116-D119 WeakPolarHBondContact O-CB 3.36Å; T116-D119 PolarHBondContact O-N 2.87Å; T116-D119 VanDerWaalsContact O-N 3.07Å
117W91.8Very high95.5Very high102 Ų10252 Ų5239%0.38626%0.256SS..THydrogen-bonded Turntrans-59.6-18174.868.8-95.1000114.2T15 H87 D119T15-W117 PolarHBondContact OG1-NE1 2.83Å; H87-W117 HydrophobicContact CB-CB 3.75Å; W117-D119 VanDerWaalsContact C-N 3.31Å
118Q90.8Very high95.4Very high72 Ų7254.7 Ų54.734%0.33628%0.277SS..THydrogen-bonded Turntrans-85.2-6.4179.4-61.8-176-3100112.9K51 T116 R120K51-Q118 HydrophobicContact CB-CB 3.92Å; K51-Q118 HydrophobicContact CG-CB 3.8Å; K51-Q118 WeakPolarHBondContact CG-O 3.46Å; T116-Q118 PolarHBondContact O-N 3.39Å; T116-Q118 VanDerWaalsContact O-N 3.09Å; T116-Q118 PolarHBondContact OG1-N 2.8Å; Q118-R120 WeakPolarHBondContact O-CG 3.13Å; Q118-R120 PolarHBondContact O-N 2.93Å
119D94.4Very high95.4Very high1 Ų157.1 Ų57.11%0.00530%0.295CS..  trans-61.5134.8-175.1-168.3-82.6000111.8A50 K51 V115 T116 W117 R121 T141A50-D119 VanDerWaalsContact CA-OD2 3.26Å; A50-D119 WeakPolarHBondContact CA-OD2 3.42Å; K51-D119 HydrophobicContact CB-CB 4.29Å; K51-D119 PolarHBondContact N-OD2 3.38Å; V115-D119 HydrophobicContact CG1-CB 3.65Å; T116-D119 WeakPolarHBondContact O-CB 3.36Å; T116-D119 PolarHBondContact O-N 2.87Å; T116-D119 VanDerWaalsContact O-N 3.07Å; W117-D119 VanDerWaalsContact C-N 3.31Å; D119-R121 VanDerWaalsContact OD1-CB 3.23Å; D119-R121 WeakPolarHBondContact OD1-CB 3.14Å; D119-R121 PolarHBondContact OD1-N 3.25Å; D119-R121 IonicContact OD1-NE 3.77Å; D119-R121 PolarHBondContact OD1-NE 2.99Å; D119-R121 IonicContact OD2-CZ 3.92Å; D119-R121 IonicContact OD2-NE 3.32Å; D119-R121 PolarHBondContact OD2-NE 3.13Å; D119-R121 IonicContact OD2-NH2 3.32Å; D119-R121 PolarHBondContact OD2-NH2 3.34Å; D119-T141 CarbonylContact O-C 3.52Å; D119-T141 WeakPolarHBondContact O-CB 3.04Å; D119-T141 WeakPolarHBondContact O-CG2 3.25Å; D119-T141 PolarHBondContact O-OG1 2.95Å
120R94Very high95.4Very high179 Ų17951.6 Ų51.668%0.67528%0.275SS*.  trans-121.121.1-177.5-58.3-171.6-179-177.3-2.1113.1K49 Q118 C122 T141K49-R120 HydrophobicContact CB-CB 3.89Å; K49-R120 HydrophobicContact CD-CB 4.35Å; K49-R120 PolarHBondContact O-N 2.91Å; Q118-R120 WeakPolarHBondContact O-CG 3.13Å; Q118-R120 PolarHBondContact O-N 2.93Å; R120-C122 PolarHBondContact O-N 3.33Å; R120-T141 WeakPolarHBondContact CA-OG1 3.37Å
121R94.4Very high95.3Very high21 Ų2150.7 Ų50.78%0.07927%0.273CS..  trans-65.5-29177-78.6175.9-90.5-167-17112.8I48 A50 E52 D119 S123 W150 Y151I48-R121 HydrophobicContact CB-CG 4.21Å; I48-R121 HydrophobicContact CD1-CG 4.27Å; I48-R121 HydrophobicContact CG1-CG 3.88Å; I48-R121 WeakPolarHBondContact O-CG 3.48Å; A50-R121 HydrophobicContact CB-CG 4.36Å; E52-R121 VanDerWaalsContact CD-NH2 3.34Å; E52-R121 IonicContact OE1-CZ 3.19Å; E52-R121 IonicContact OE1-NH1 2.8Å; E52-R121 PolarHBondContact OE1-NH1 3.46Å; E52-R121 IonicContact OE1-NH2 3.14Å; E52-R121 PolarHBondContact OE1-NH2 2.94Å; D119-R121 VanDerWaalsContact OD1-CB 3.23Å; D119-R121 WeakPolarHBondContact OD1-CB 3.14Å; D119-R121 PolarHBondContact OD1-N 3.25Å; D119-R121 IonicContact OD1-NE 3.77Å; D119-R121 PolarHBondContact OD1-NE 2.99Å; D119-R121 IonicContact OD2-CZ 3.92Å; D119-R121 IonicContact OD2-NE 3.32Å; D119-R121 PolarHBondContact OD2-NE 3.13Å; D119-R121 IonicContact OD2-NH2 3.32Å; D119-R121 PolarHBondContact OD2-NH2 3.34Å; R121-S123 PolarHBondContact O-N 2.82Å; R121-W150 HydrophobicContact CB-CD2 4.27Å; R121-W150 HydrophobicContact CB-CG 4.44Å; R121-W150 HydrophobicContact CB-CZ2 4.25Å; R121-W150 HydrophobicContact CG-CZ2 4.22Å; R121-W150 PolarHBondContact O-NE1 3.2Å; R121-Y151 PolarHBondContact NH1-OH 2.97Å; R121-Y151 VanDerWaalsContact NH1-OH 3.1Å
122C95.5Very high95Very high6 Ų658 Ų584%0.04130%0.302CS..SBendtrans-85.4102176.1-62.10000109.8R120 F126 L127 T141R120-C122 PolarHBondContact O-N 3.33Å; C122-F126 HydrophobicContact CB-CD1 3.76Å; C122-F126 HydrophobicContact CB-CE1 4.3Å; C122-L127 HydrophobicContact CB-CD2 3.85Å; C122-L127 HydrophobicContact CB-CG 4.02Å; C122-T141 WeakPolarHBondContact CB-OG1 3.35Å; C122-T141 PolarHBondContact N-OG1 3.41Å; C122-T141 WeakPolarHBondContact O-CB 3.15Å
123S94.1Very high94.7Very high62 Ų6258.7 Ų58.743%0.43431%0.306SS..  trans-64.8163.1173.268.30000111.9R121 D125 F126 L127R121-S123 PolarHBondContact O-N 2.82Å; S123-D125 PolarHBondContact O-N 3.23Å; S123-F126 WeakPolarHBondContact O-CB 2.89Å; S123-F126 PolarHBondContact O-N 3.43Å; S123-F126 VanDerWaalsContact O-N 3.16Å; S123-F126 WeakPolarHBondContact OG-CB 3.44Å; S123-F126 PolarHBondContact OG-N 3.18Å; S123-F126 VanDerWaalsContact OG-N 3.13Å; S123-L127 WeakPolarHBondContact O-CG 3.3Å; S123-L127 PolarHBondContact O-N 3.43Å
124S91.8Very high94.5Very high81 Ų8161.4 Ų61.457%0.56632%0.319SS*.Hα-helixtrans-54-41.4172.350.70000112.3L127 S128S124-L127 PolarHBondContact O-N 2.91Å; S124-S128 VanDerWaalsContact O-CB 3.31Å; S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 3.35Å; S124-S128 PolarHBondContact O-OG 3.11Å
125D94.9Very high94Very high124 Ų12461.5 Ų61.566%0.66332%0.32SS*.Hα-helixtrans-68.4-39.3179.7-62.4-6.9000111.2S123 S128 S129S123-D125 PolarHBondContact O-N 3.23Å; D125-S128 PolarHBondContact O-N 3.48Å; D125-S129 WeakPolarHBondContact O-CB 3.36Å; D125-S129 PolarHBondContact O-N 3.27Å
126F96.4Very high93.5Very high14 Ų1462.5 Ų62.56%0.06133%0.325CS..Hα-helixtrans-62.6-50.5174.5178.6-94.7000110.8C122 S123 S128 S129 L130 F149 W150 K153C122-F126 HydrophobicContact CB-CD1 3.76Å; C122-F126 HydrophobicContact CB-CE1 4.3Å; S123-F126 WeakPolarHBondContact O-CB 2.89Å; S123-F126 PolarHBondContact O-N 3.43Å; S123-F126 VanDerWaalsContact O-N 3.16Å; S123-F126 WeakPolarHBondContact OG-CB 3.44Å; S123-F126 PolarHBondContact OG-N 3.18Å; S123-F126 VanDerWaalsContact OG-N 3.13Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.77Å; F126-S129 WeakPolarHBondContact O-CB 3.32Å; F126-S129 PolarHBondContact O-N 3.31Å; F126-S129 PolarHBondContact O-OG 3.03Å; F126-L130 HydrophobicContact CE1-CD1 4.21Å; F126-L130 HydrophobicContact CE1-CD2 4.03Å; F126-L130 HydrophobicContact CE1-CG 4.37Å; F126-L130 HydrophobicContact CZ-CD2 3.97Å; F126-L130 PolarHBondContact O-N 2.93Å; F126-F149 HydrophobicContact CE1-CB 4.34Å; F126-F149 HydrophobicContact CZ-CB 3.93Å; F126-W150 HydrophobicContact CE1-CB 4.12Å; F126-W150 HydrophobicContact CZ-CB 4.03Å; F126-K153 HydrophobicContact CD2-CD 4.05Å; F126-K153 HydrophobicContact CE2-CB 4.31Å; F126-K153 HydrophobicContact CE2-CD 3.64Å
127L95.2Very high93.1Very high39 Ų3963.1 Ų63.120%0.20433%0.327CS..Hα-helixtrans-59.5-40.5177.8-67.4172.4000111.8C122 S123 S124 S129 L130 V139 A146C122-L127 HydrophobicContact CB-CD2 3.85Å; C122-L127 HydrophobicContact CB-CG 4.02Å; S123-L127 WeakPolarHBondContact O-CG 3.3Å; S123-L127 PolarHBondContact O-N 3.43Å; S124-L127 PolarHBondContact O-N 2.91Å; L127-S129 PolarHBondContact O-N 3.27Å; L127-L130 HydrophobicContact CD2-CD1 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.45Å; L127-V139 HydrophobicContact CD2-CG1 4.14Å; L127-A146 HydrophobicContact CD2-CB 4Å
128S94Very high92.8Very high104 Ų10459.2 Ų59.273%0.72732%0.319SS*.Hα-helixtrans-69.1-22.4177.8-57.30000113.1S124 D125 F126S124-S128 VanDerWaalsContact O-CB 3.31Å; S124-S128 WeakPolarHBondContact O-CB 3.45Å; S124-S128 PolarHBondContact O-N 3.35Å; S124-S128 PolarHBondContact O-OG 3.11Å; D125-S128 PolarHBondContact O-N 3.48Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.77Å
129S96Very high92.9Very high78 Ų7857.1 Ų57.155%0.54531%0.311SS..Hα-helixtrans-81.7-13.1175.576.80000113.9D125 F126 L127D125-S129 WeakPolarHBondContact O-CB 3.36Å; D125-S129 PolarHBondContact O-N 3.27Å; F126-S129 WeakPolarHBondContact O-CB 3.32Å; F126-S129 PolarHBondContact O-N 3.31Å; F126-S129 PolarHBondContact O-OG 3.03Å; L127-S129 PolarHBondContact O-N 3.27Å
130L96.4Very high92.8Very high23 Ų2359.7 Ų59.712%0.1233%0.329CS..SBendtrans-71.6154.2177.5-61.1-176.5000110.9F126 L127 V139 F149 F194F126-L130 HydrophobicContact CE1-CD1 4.21Å; F126-L130 HydrophobicContact CE1-CD2 4.03Å; F126-L130 HydrophobicContact CE1-CG 4.37Å; F126-L130 HydrophobicContact CZ-CD2 3.97Å; F126-L130 PolarHBondContact O-N 2.93Å; L127-L130 HydrophobicContact CD2-CD1 4.23Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.45Å; L130-V139 HydrophobicContact CD1-CG1 4.23Å; L130-F149 HydrophobicContact CD1-CD2 4.1Å; L130-F149 HydrophobicContact CD2-CB 3.78Å; L130-F149 HydrophobicContact CD2-CD1 4.23Å; L130-F149 HydrophobicContact CD2-CD2 3.93Å; L130-F149 HydrophobicContact CD2-CG 3.74Å; L130-F194 HydrophobicContact CB-CZ 4.47Å
131P95.1Very high92.8Very high41 Ų4152.9 Ų52.927%0.26631%0.307SS..PPolyproline II helixtrans-58.3149170.826-35.2000110.8F149 F194 I206 A210P131-F149 HydrophobicContact CG-CZ 4.18Å; P131-F194 HydrophobicContact CB-CE1 4.37Å; P131-F194 HydrophobicContact CG-CE1 3.79Å; P131-F194 HydrophobicContact CG-CZ 3.89Å; P131-F194 VanDerWaalsContact O-CE1 3.27Å; P131-F194 WeakPolarHBondContact O-CE1 3.32Å; P131-F194 WeakPolarHBondContact O-CZ 3.3Å; P131-I206 HydrophobicContact CB-CG2 3.65Å; P131-I206 HydrophobicContact CG-CG2 4.04Å; P131-A210 HydrophobicContact CG-CB 3.88Å
132K92.4Very high92.8Very high186 Ų18651.9 Ų51.981%0.80930%0.303SS*.PPolyproline II helixtrans-74.2125.7177.8-65.9-174.2179-177.50109.7
133P92.1Very high92.9Very high24 Ų2452.7 Ų52.716%0.15631%0.306CS..PPolyproline II helixtrans-70.7148.8175.132.2-37.9000110.9S135 V139 F194P133-S135 PolarHBondContact O-N 2.84Å; P133-V139 HydrophobicContact CG-CG2 4.04Å; P133-F194 HydrophobicContact CB-CD1 3.77Å; P133-F194 HydrophobicContact CB-CE1 4.05Å; P133-F194 HydrophobicContact CB-CG 4.19Å
134E91.9Very high93Very high129 Ų12949.7 Ų49.760%0.60329%0.285SS*.SBendtrans-86.873.8163.6-79.7176.5-173.500108.2N196 N203 I206E134-N196 WeakPolarHBondContact O-CB 3.24Å; E134-N196 PolarHBondContact O-ND2 3Å; E134-N203 PolarHBondContact N-OD1 3.24Å; E134-N203 PolarHBondContact O-ND2 3.13Å; E134-I206 HydrophobicContact CB-CD1 4.17Å; E134-I206 HydrophobicContact CG-CD1 3.77Å
135S88.4Confident93.3Very high4 Ų445.9 Ų45.93%0.02826%0.259CS..SBendtrans-154.1153.7-179.2-172.20000110P133 F137 F195 P288P133-S135 PolarHBondContact O-N 2.84Å; S135-F137 PolarHBondContact O-N 3.46Å; S135-F137 PolarHBondContact OG-N 3.46Å; S135-F195 VanDerWaalsContact CB-O 3.22Å; S135-F195 WeakPolarHBondContact CB-O 3.46Å; S135-F195 PolarHBondContact OG-O 3.44Å; S135-P288 WeakPolarHBondContact O-CD 3.42Å; S135-P288 WeakPolarHBondContact O-CG 3.42Å
136H88.5Confident93.5Very high21 Ų2140 Ų4010%0.09723%0.227CC..SBendtrans-76.7-11.5170.877.2-87000112.6T197 P284 P285 P288 Y296 Y304H136-T197 PolarHBondContact CE1-OG1 2.91Å; H136-T197 PolarHBondContact ND1-OG1 2.97Å; H136-P284 HydrophobicContact CB-CB 4.09Å; H136-P284 HydrophobicContact CB-CG 4.49Å; H136-P285 WeakPolarHBondContact CB-O 3.32Å; H136-P288 WeakPolarHBondContact O-CA 3.34Å; H136-Y296 PolarHBondContact NE2-O 2.94Å; H136-Y304 AromaticContact CE1-CE1 3.98Å
137F86.3Confident93.6Very high14 Ų1439.4 Ų39.46%0.06123%0.225CC..SBendtrans-90.3129.2171.2-79-74.2000111.5S135 A190 T197 Y296 F297S135-F137 PolarHBondContact O-N 3.46Å; S135-F137 PolarHBondContact OG-N 3.46Å; F137-A190 HydrophobicContact CD2-CB 3.86Å; F137-A190 HydrophobicContact CE2-CB 3.74Å; F137-T197 HydrophobicContact CD2-CG2 4.19Å; F137-T197 HydrophobicContact CE2-CG2 4.27Å; F137-Y296 WeakPolarHBondContact CE2-O 3.43Å; F137-Y296 WeakPolarHBondContact CZ-O 3.49Å; F137-F297 HydrophobicContact CE1-CD1 4.04Å; F137-F297 HydrophobicContact CE1-CD2 4.31Å; F137-F297 AromaticContact CE1-CE1 3.67Å; F137-F297 HydrophobicContact CE1-CE1 3.67Å; F137-F297 AromaticContact CE1-CE2 3.97Å; F137-F297 HydrophobicContact CE1-CE2 3.97Å; F137-F297 HydrophobicContact CE1-CG 4.36Å; F137-F297 AromaticContact CE1-CZ 3.64Å; F137-F297 HydrophobicContact CE1-CZ 3.64Å; F137-F297 HydrophobicContact CZ-CB 4.41Å; F137-F297 AromaticContact CZ-CD1 3.61Å; F137-F297 HydrophobicContact CZ-CD1 3.61Å; F137-F297 HydrophobicContact CZ-CD2 4.06Å; F137-F297 AromaticContact CZ-CE1 3.75Å; F137-F297 HydrophobicContact CZ-CE1 3.75Å; F137-F297 HydrophobicContact CZ-CE2 4.19Å; F137-F297 AromaticContact CZ-CG 3.79Å; F137-F297 HydrophobicContact CZ-CG 3.79Å; F137-F297 HydrophobicContact CZ-CZ 4.04Å
138G86.3Confident93.7Very high21 Ų2137.6 Ų37.622%0.21622%0.215CC..PPolyproline II helixtrans-69.5156.8164.600000111.2
139V91.8Very high93.9Very high27 Ų2733.3 Ų33.316%0.16418%0.184CC..PPolyproline II helixtrans-87.8130.8171.7-177.40000108.3L127 L130 P133 A146 F194L127-V139 HydrophobicContact CD2-CG1 4.14Å; L130-V139 HydrophobicContact CD1-CG1 4.23Å; P133-V139 HydrophobicContact CG-CG2 4.04Å; V139-A146 HydrophobicContact CG1-CB 3.69Å; V139-F194 HydrophobicContact CG1-CE2 4.34Å; V139-F194 HydrophobicContact CG2-CD2 3.85Å; V139-F194 HydrophobicContact CG2-CE2 3.53Å; V139-F194 HydrophobicContact CG2-CZ 4.12Å
140S92.5Very high94Very high55 Ų5530.6 Ų30.639%0.38516%0.161SC..  trans-121159.7178.9-67.60000111.1F143 A146S140-F143 VanDerWaalsContact O-CB 3.28Å; S140-F143 WeakPolarHBondContact O-CB 3.49Å; S140-F143 PolarHBondContact O-N 2.89Å; S140-A146 WeakPolarHBondContact O-CB 3.47Å
141T94.3Very high94.1Very high36 Ų3629.9 Ų29.922%0.22116%0.157CC..THydrogen-bonded Turntrans-59.8145.7169.6-172.30000110.6D119 R120 C122 F143D119-T141 CarbonylContact O-C 3.52Å; D119-T141 WeakPolarHBondContact O-CB 3.04Å; D119-T141 WeakPolarHBondContact O-CG2 3.25Å; D119-T141 PolarHBondContact O-OG1 2.95Å; R120-T141 WeakPolarHBondContact CA-OG1 3.37Å; C122-T141 WeakPolarHBondContact CB-OG1 3.35Å; C122-T141 PolarHBondContact N-OG1 3.41Å; C122-T141 WeakPolarHBondContact O-CB 3.15Å; T141-F143 PolarHBondContact O-N 3.24Å
142G94.4Very high94.2Very high0 Ų030.4 Ų30.40%016%0.157CC..THydrogen-bonded Turntrans80.7-11.2-173.100000115.1H87H87-G142 CarbonylContact C-O 3.17Å; H87-G142 VanDerWaalsContact O-O 3.1Å
143F97.3Very high94.4Very high23 Ų2328 Ų2810%0.10115%0.146CC..SBendtrans-73141.3173.2-75.318.7000110.5H87 S140 T141 C145 A146 T147 S191H87-F143 HydrophobicContact CB-CD1 3.77Å; H87-F143 HydrophobicContact CB-CE1 3.94Å; H87-F143 AromaticContact CE1-CE1 3.89Å; H87-F143 AromaticContact CG-CE1 3.65Å; H87-F143 AromaticContact ND1-CD1 3.84Å; H87-F143 AromaticContact ND1-CE1 3.17Å; H87-F143 WeakPolarHBondContact ND1-CE1 3.28Å; H87-F143 AromaticContact ND1-CZ 3.63Å; H87-F143 CarbonylContact O-C 3.48Å; H87-F143 WeakPolarHBondContact O-CA 3.34Å; S140-F143 VanDerWaalsContact O-CB 3.28Å; S140-F143 WeakPolarHBondContact O-CB 3.49Å; S140-F143 PolarHBondContact O-N 2.89Å; T141-F143 PolarHBondContact O-N 3.24Å; F143-C145 PolarHBondContact O-N 2.99Å; F143-A146 HydrophobicContact CB-CB 4.37Å; F143-A146 WeakPolarHBondContact O-CB 3.36Å; F143-A146 PolarHBondContact O-N 3.08Å; F143-T147 PolarHBondContact O-N 3.42Å; F143-T147 PolarHBondContact O-OG1 3.38Å; F143-S191 WeakPolarHBondContact CD1-O 3.38Å; F143-S191 WeakPolarHBondContact CD2-O 3.31Å; F143-S191 WeakPolarHBondContact CE2-O 3.44Å; F143-S191 WeakPolarHBondContact CG-O 3.32Å
144G97.9Very high94.6Very high0 Ų031.2 Ų31.20%016%0.159CC..Hα-helixtrans-49.4-49.6-175.900000115.2H87 A146 T147 I148H87-G144 PolarHBondContact O-N 2.9Å; G144-A146 PolarHBondContact O-N 3.33Å; G144-T147 PolarHBondContact O-N 2.92Å; G144-I148 VanDerWaalsContact O-CG1 3.31Å; G144-I148 WeakPolarHBondContact O-CG1 3.34Å; G144-I148 PolarHBondContact O-N 3.49Å
145C97.9Very high94.8Very high0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-66.3-37.7179.1-67.70000112.6F143 I148 F149 W192 G193 F194 F212F143-C145 PolarHBondContact O-N 2.99Å; C145-I148 PolarHBondContact O-N 3.04Å; C145-F149 WeakPolarHBondContact O-CD2 3.44Å; C145-F149 PolarHBondContact O-N 3.21Å; C145-W192 WeakPolarHBondContact CB-O 3.41Å; C145-W192 PolarHBondContact N-O 3.48Å; C145-G193 PolarHBondContact SG-O 3.2Å; C145-F194 HydrophobicContact CB-CD2 3.69Å; C145-F194 HydrophobicContact CB-CE2 4.35Å; C145-F212 HydrophobicContact CB-CE2 4.24Å; C145-F212 HydrophobicContact CB-CZ 4.4Å
146A97.9Very high95.2Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-62.9-44.6176.200000111.1L127 V139 S140 F143 G144 F149 W150L127-A146 HydrophobicContact CD2-CB 4Å; V139-A146 HydrophobicContact CG1-CB 3.69Å; S140-A146 WeakPolarHBondContact O-CB 3.47Å; F143-A146 HydrophobicContact CB-CB 4.37Å; F143-A146 WeakPolarHBondContact O-CB 3.36Å; F143-A146 PolarHBondContact O-N 3.08Å; G144-A146 PolarHBondContact O-N 3.33Å; A146-F149 PolarHBondContact O-N 2.78Å; A146-W150 PolarHBondContact O-N 3.11Å
147T98.3Very high95.6Very high3 Ų341.5 Ų41.52%0.01821%0.207CC..Hα-helixtrans-61.9-43.4176.7-61.60000111.6V89 V115 F143 G144 W150 Y151V89-T147 HydrophobicContact CG1-CG2 3.46Å; V89-T147 VanDerWaalsContact CG1-CG2 3.46Å; V115-T147 HydrophobicContact CB-CG2 4.07Å; V115-T147 HydrophobicContact CG1-CG2 3.96Å; V115-T147 HydrophobicContact CG2-CG2 3.91Å; F143-T147 PolarHBondContact O-N 3.42Å; F143-T147 PolarHBondContact O-OG1 3.38Å; G144-T147 PolarHBondContact O-N 2.92Å; T147-W150 WeakPolarHBondContact O-CB 3.47Å; T147-W150 PolarHBondContact O-N 3.46Å; T147-W150 VanDerWaalsContact O-N 3.16Å; T147-Y151 HydrophobicContact CG2-CD2 3.79Å; T147-Y151 HydrophobicContact CG2-CE2 3.56Å; T147-Y151 VanDerWaalsContact O-CD2 3.25Å; T147-Y151 WeakPolarHBondContact O-CD2 3.18Å; T147-Y151 PolarHBondContact O-N 2.92Å
148I98.4Very high96.1Very high0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-62.6-46.6176.6-68.4164.9000110.8F91 G144 C145 W150 Y151 M152 L159 W192 F212 P213 L216F91-I148 HydrophobicContact CE1-CD1 4.18Å; F91-I148 HydrophobicContact CE1-CG1 3.71Å; F91-I148 HydrophobicContact CZ-CD1 4.42Å; F91-I148 HydrophobicContact CZ-CG1 3.62Å; G144-I148 VanDerWaalsContact O-CG1 3.31Å; G144-I148 WeakPolarHBondContact O-CG1 3.34Å; G144-I148 PolarHBondContact O-N 3.49Å; C145-I148 PolarHBondContact O-N 3.04Å; I148-W150 PolarHBondContact O-N 2.87Å; I148-Y151 PolarHBondContact O-N 2.81Å; I148-M152 HydrophobicContact CG2-CG 4.45Å; I148-M152 HydrophobicContact CG2-SD 4.36Å; I148-M152 VanDerWaalsContact O-CG 3.32Å; I148-M152 WeakPolarHBondContact O-CG 3.27Å; I148-M152 PolarHBondContact O-N 3.42Å; I148-L159 HydrophobicContact CG2-CD1 4.25Å; I148-W192 HydrophobicContact CD1-CZ3 4.47Å; I148-F212 HydrophobicContact CB-CE2 3.59Å; I148-F212 HydrophobicContact CB-CZ 3.81Å; I148-F212 HydrophobicContact CD1-CE1 4.5Å; I148-F212 HydrophobicContact CD1-CE2 4.35Å; I148-F212 HydrophobicContact CD1-CZ 3.66Å; I148-F212 HydrophobicContact CG1-CZ 4.33Å; I148-F212 HydrophobicContact CG2-CD2 3.98Å; I148-F212 HydrophobicContact CG2-CE1 4.31Å; I148-F212 HydrophobicContact CG2-CE2 3.35Å; I148-F212 HydrophobicContact CG2-CZ 3.55Å; I148-P213 HydrophobicContact CG2-CG 3.7Å; I148-L216 HydrophobicContact CD1-CB 4.39Å
149F98.4Very high96.6Very high15 Ų1542.5 Ų42.57%0.06621%0.206CC..Hα-helixtrans-58.3-38.3173.7-83.4-61.5000112.2F126 L130 P131 C145 A146 M152 K153 F194 L207 A210 F212F126-F149 HydrophobicContact CE1-CB 4.34Å; F126-F149 HydrophobicContact CZ-CB 3.93Å; L130-F149 HydrophobicContact CD1-CD2 4.1Å; L130-F149 HydrophobicContact CD2-CB 3.78Å; L130-F149 HydrophobicContact CD2-CD1 4.23Å; L130-F149 HydrophobicContact CD2-CD2 3.93Å; L130-F149 HydrophobicContact CD2-CG 3.74Å; P131-F149 HydrophobicContact CG-CZ 4.18Å; C145-F149 WeakPolarHBondContact O-CD2 3.44Å; C145-F149 PolarHBondContact O-N 3.21Å; A146-F149 PolarHBondContact O-N 2.78Å; F149-M152 HydrophobicContact CD1-SD 3.94Å; F149-M152 HydrophobicContact CE1-SD 4.38Å; F149-M152 PolarHBondContact O-N 3.17Å; F149-K153 PolarHBondContact O-N 2.92Å; F149-K153 VanDerWaalsContact O-N 3.07Å; F149-F194 HydrophobicContact CD2-CE2 4.21Å; F149-F194 HydrophobicContact CE2-CD2 4.27Å; F149-F194 AromaticContact CE2-CE2 3.63Å; F149-F194 HydrophobicContact CE2-CE2 3.63Å; F149-F194 AromaticContact CE2-CZ 3.85Å; F149-F194 HydrophobicContact CE2-CZ 3.85Å; F149-L207 HydrophobicContact CE2-CD2 3.74Å; F149-L207 HydrophobicContact CZ-CD2 3.75Å; F149-A210 HydrophobicContact CE1-CB 3.93Å; F149-A210 HydrophobicContact CZ-CB 4.05Å; F149-F212 HydrophobicContact CD1-CD2 4.02Å; F149-F212 AromaticContact CD2-CD2 3.94Å; F149-F212 HydrophobicContact CD2-CD2 3.94Å; F149-F212 HydrophobicContact CD2-CE2 4.12Å; F149-F212 HydrophobicContact CE1-CB 4.02Å; F149-F212 AromaticContact CE1-CD2 3.74Å; F149-F212 HydrophobicContact CE1-CD2 3.74Å; F149-F212 HydrophobicContact CE1-CG 4.38Å; F149-F212 AromaticContact CE2-CD2 3.64Å; F149-F212 HydrophobicContact CE2-CD2 3.64Å; F149-F212 HydrophobicContact CE2-CE2 4.08Å; F149-F212 HydrophobicContact CG-CD2 4.11Å; F149-F212 HydrophobicContact CG-CE2 4.48Å; F149-F212 HydrophobicContact CZ-CB 4Å; F149-F212 AromaticContact CZ-CD2 3.54Å; F149-F212 HydrophobicContact CZ-CD2 3.54Å; F149-F212 HydrophobicContact CZ-CE2 4.42Å; F149-F212 HydrophobicContact CZ-CG 4.18Å
150W98.1Very high96.7Very high21 Ų2147 Ų478%0.0823%0.228CC..Hα-helixtrans-63.6-45.7177.7-173.496.7000111.5I48 R121 F126 A146 T147 I148 K153 H154I48-W150 HydrophobicContact CD1-CH2 4.28Å; R121-W150 HydrophobicContact CB-CD2 4.27Å; R121-W150 HydrophobicContact CB-CG 4.44Å; R121-W150 HydrophobicContact CB-CZ2 4.25Å; R121-W150 HydrophobicContact CG-CZ2 4.22Å; R121-W150 PolarHBondContact O-NE1 3.2Å; F126-W150 HydrophobicContact CE1-CB 4.12Å; F126-W150 HydrophobicContact CZ-CB 4.03Å; A146-W150 PolarHBondContact O-N 3.11Å; T147-W150 WeakPolarHBondContact O-CB 3.47Å; T147-W150 PolarHBondContact O-N 3.46Å; T147-W150 VanDerWaalsContact O-N 3.16Å; I148-W150 PolarHBondContact O-N 2.87Å; W150-K153 PolarHBondContact O-N 3.02Å; W150-H154 AromaticContact CD1-CE1 3.62Å; W150-H154 AromaticContact CD1-ND1 3.58Å; W150-H154 HydrophobicContact CD2-CB 4.47Å; W150-H154 AromaticContact CD2-ND1 3.68Å; W150-H154 AromaticContact CE2-CG 3.95Å; W150-H154 AromaticContact CE2-ND1 3.55Å; W150-H154 HydrophobicContact CE3-CB 4.49Å; W150-H154 AromaticContact CG-ND1 3.69Å; W150-H154 HydrophobicContact CH2-CB 4.22Å; W150-H154 HydrophobicContact CZ2-CB 4.2Å; W150-H154 HydrophobicContact CZ3-CB 4.37Å; W150-H154 AromaticContact NE1-CE1 3.53Å; W150-H154 AromaticContact NE1-ND1 3.48Å; W150-H154 PolarHBondContact NE1-ND1 2.84Å; W150-H154 PolarHBondContact O-N 3.39Å; W150-H154 PolarHBondContact O-ND1 3.05Å
151Y98Very high96.9Very high8 Ų848.8 Ų48.83%0.03123%0.234CC..Hα-helixtrans-62.9-43.2174.6-80.4-69000111.8E52 F91 V115 R121 T147 I148 K153 H154 R155 P156 F158E52-Y151 PolarHBondContact OE1-OH 3.25Å; F91-Y151 HydrophobicContact CE2-CD2 4.29Å; F91-Y151 HydrophobicContact CE2-CE2 4.08Å; F91-Y151 HydrophobicContact CZ-CD2 4.35Å; V115-Y151 HydrophobicContact CG2-CE2 4.31Å; R121-Y151 PolarHBondContact NH1-OH 2.97Å; R121-Y151 VanDerWaalsContact NH1-OH 3.1Å; T147-Y151 HydrophobicContact CG2-CD2 3.79Å; T147-Y151 HydrophobicContact CG2-CE2 3.56Å; T147-Y151 VanDerWaalsContact O-CD2 3.25Å; T147-Y151 WeakPolarHBondContact O-CD2 3.18Å; T147-Y151 PolarHBondContact O-N 2.92Å; I148-Y151 PolarHBondContact O-N 2.81Å; Y151-K153 PolarHBondContact O-N 3.36Å; Y151-H154 PolarHBondContact O-N 3.22Å; Y151-R155 HydrophobicContact CD1-CB 4.16Å; Y151-R155 CarbonylContact O-C 3.47Å; Y151-R155 WeakPolarHBondContact O-CA 3.36Å; Y151-R155 PolarHBondContact O-N 3.41Å; Y151-P156 VanDerWaalsContact O-N 3.08Å; Y151-F158 HydrophobicContact CD1-CB 4.12Å; Y151-F158 AromaticContact CD1-CD1 3.44Å; Y151-F158 HydrophobicContact CD1-CD1 3.44Å; Y151-F158 VanDerWaalsContact CD1-CD1 3.44Å; Y151-F158 AromaticContact CD1-CE1 3.94Å; Y151-F158 HydrophobicContact CD1-CE1 3.94Å; Y151-F158 AromaticContact CD1-CG 3.82Å; Y151-F158 HydrophobicContact CD1-CG 3.82Å; Y151-F158 HydrophobicContact CD2-CD1 4.16Å; Y151-F158 HydrophobicContact CD2-CE1 4.03Å; Y151-F158 AromaticContact CE1-CD1 3.63Å; Y151-F158 HydrophobicContact CE1-CD1 3.63Å; Y151-F158 HydrophobicContact CE1-CD2 4.22Å; Y151-F158 AromaticContact CE1-CE1 3.75Å; Y151-F158 HydrophobicContact CE1-CE1 3.75Å; Y151-F158 HydrophobicContact CE1-CE2 4.3Å; Y151-F158 AromaticContact CE1-CG 3.87Å; Y151-F158 HydrophobicContact CE1-CG 3.87Å; Y151-F158 HydrophobicContact CE1-CZ 4.07Å; Y151-F158 HydrophobicContact CE2-CD1 4.31Å; Y151-F158 AromaticContact CE2-CE1 3.84Å; Y151-F158 HydrophobicContact CE2-CE1 3.84Å; Y151-F158 HydrophobicContact CE2-CZ 4.38Å; Y151-F158 AromaticContact CG-CD1 3.74Å; Y151-F158 HydrophobicContact CG-CD1 3.74Å; Y151-F158 HydrophobicContact CG-CE1 4.08Å; Y151-F158 AromaticContact CZ-CE1 3.7Å; Y151-F158 AromaticContact CZ-CZ 3.91Å
152M97.7Very high97Very high51 Ų5148 Ų4825%0.25123%0.228SC..Hα-helixtrans-55-41.7175.5-71.2173.267.300112.5I148 F149 L159 G211 F212 P213I148-M152 HydrophobicContact CG2-CG 4.45Å; I148-M152 HydrophobicContact CG2-SD 4.36Å; I148-M152 VanDerWaalsContact O-CG 3.32Å; I148-M152 WeakPolarHBondContact O-CG 3.27Å; I148-M152 PolarHBondContact O-N 3.42Å; F149-M152 HydrophobicContact CD1-SD 3.94Å; F149-M152 HydrophobicContact CE1-SD 4.38Å; F149-M152 PolarHBondContact O-N 3.17Å; M152-L159 HydrophobicContact CB-CD1 4.37Å; M152-L159 HydrophobicContact CG-CD1 3.5Å; M152-L159 VanDerWaalsContact CG-CD1 3.5Å; M152-G211 VanDerWaalsContact CE-C 3.46Å; M152-G211 WeakPolarHBondContact CE-O 3.42Å; M152-F212 HydrophobicContact SD-CB 4.49Å; M152-F212 HydrophobicContact SD-CD2 4.18Å; M152-P213 WeakPolarHBondContact SD-CD 3.35Å; M152-P213 HydrophobicContact SD-CG 4.36Å
153K97Very high97.2Very high136 Ų13650.7 Ų50.759%0.59125%0.246SC*.Hα-helixtrans-76-41.3-178.2-177.5173.9-178174.30113F126 F149 W150 Y151F126-K153 HydrophobicContact CD2-CD 4.05Å; F126-K153 HydrophobicContact CE2-CB 4.31Å; F126-K153 HydrophobicContact CE2-CD 3.64Å; F149-K153 PolarHBondContact O-N 2.92Å; F149-K153 VanDerWaalsContact O-N 3.07Å; W150-K153 PolarHBondContact O-N 3.02Å; Y151-K153 PolarHBondContact O-N 3.36Å
154H96.2Very high97.2Very high92 Ų9250 Ų5043%0.42624%0.243SC..Hα-helixtrans-106.1-27.8-167.4-57.893.3000113.9W150 Y151W150-H154 AromaticContact CD1-CE1 3.62Å; W150-H154 AromaticContact CD1-ND1 3.58Å; W150-H154 HydrophobicContact CD2-CB 4.47Å; W150-H154 AromaticContact CD2-ND1 3.68Å; W150-H154 AromaticContact CE2-CG 3.95Å; W150-H154 AromaticContact CE2-ND1 3.55Å; W150-H154 HydrophobicContact CE3-CB 4.49Å; W150-H154 AromaticContact CG-ND1 3.69Å; W150-H154 HydrophobicContact CH2-CB 4.22Å; W150-H154 HydrophobicContact CZ2-CB 4.2Å; W150-H154 HydrophobicContact CZ3-CB 4.37Å; W150-H154 AromaticContact NE1-CE1 3.53Å; W150-H154 AromaticContact NE1-ND1 3.48Å; W150-H154 PolarHBondContact NE1-ND1 2.84Å; W150-H154 PolarHBondContact O-N 3.39Å; W150-H154 PolarHBondContact O-ND1 3.05Å; Y151-H154 PolarHBondContact O-N 3.22Å
155R95.6Very high97.2Very high142 Ų14250 Ų5054%0.53624%0.244SC..  trans-148.960.2-176.2-61.5-171.6-177.9-173.72.4111.4Y151 Q157 F158Y151-R155 HydrophobicContact CD1-CB 4.16Å; Y151-R155 CarbonylContact O-C 3.47Å; Y151-R155 WeakPolarHBondContact O-CA 3.36Å; Y151-R155 PolarHBondContact O-N 3.41Å; R155-Q157 VanDerWaalsContact C-N 3.27Å; R155-Q157 PolarHBondContact O-N 3.16Å; R155-F158 HydrophobicContact CB-CB 4.33Å; R155-F158 VanDerWaalsContact O-CB 3.23Å; R155-F158 WeakPolarHBondContact O-CB 3.31Å; R155-F158 PolarHBondContact O-N 2.9Å
156P95.9Very high97.3Very high71 Ų7150 Ų5046%0.46124%0.244SC..Hα-helixtrans-58.9-36.4-172.320.7-32.7000113.6Y151 F158 L159Y151-P156 VanDerWaalsContact O-N 3.08Å; P156-F158 PolarHBondContact O-N 2.9Å; P156-F158 VanDerWaalsContact O-N 3.13Å; P156-L159 PolarHBondContact O-N 2.68Å
157Q96.7Very high97.3Very high157 Ų15750 Ų5073%0.73424%0.244SC*.Hα-helixtrans-57.7-27.9178.5-65.9176.41.200113.1R155 L159 D160R155-Q157 VanDerWaalsContact C-N 3.27Å; R155-Q157 PolarHBondContact O-N 3.16Å; Q157-L159 PolarHBondContact O-N 2.72Å; Q157-D160 WeakPolarHBondContact O-CB 3.45Å; Q157-D160 PolarHBondContact O-N 3.14Å; Q157-D160 VanDerWaalsContact O-N 3.15Å
158F96.8Very high97.3Very high49 Ų4950 Ų5022%0.21524%0.244CC..Hα-helixtrans-59.7-35.5175.5172.7-92.1000111.9F91 Y151 R155 P156 D160 D161 F162F91-F158 AromaticContact CD2-CE1 3.76Å; F91-F158 HydrophobicContact CD2-CE1 3.76Å; F91-F158 HydrophobicContact CD2-CZ 4.06Å; F91-F158 AromaticContact CE2-CE1 3.92Å; F91-F158 HydrophobicContact CE2-CE1 3.92Å; F91-F158 HydrophobicContact CE2-CZ 4.49Å; F91-F158 HydrophobicContact CG-CE1 4.24Å; Y151-F158 HydrophobicContact CD1-CB 4.12Å; Y151-F158 AromaticContact CD1-CD1 3.44Å; Y151-F158 HydrophobicContact CD1-CD1 3.44Å; Y151-F158 VanDerWaalsContact CD1-CD1 3.44Å; Y151-F158 AromaticContact CD1-CE1 3.94Å; Y151-F158 HydrophobicContact CD1-CE1 3.94Å; Y151-F158 AromaticContact CD1-CG 3.82Å; Y151-F158 HydrophobicContact CD1-CG 3.82Å; Y151-F158 HydrophobicContact CD2-CD1 4.16Å; Y151-F158 HydrophobicContact CD2-CE1 4.03Å; Y151-F158 AromaticContact CE1-CD1 3.63Å; Y151-F158 HydrophobicContact CE1-CD1 3.63Å; Y151-F158 HydrophobicContact CE1-CD2 4.22Å; Y151-F158 AromaticContact CE1-CE1 3.75Å; Y151-F158 HydrophobicContact CE1-CE1 3.75Å; Y151-F158 HydrophobicContact CE1-CE2 4.3Å; Y151-F158 AromaticContact CE1-CG 3.87Å; Y151-F158 HydrophobicContact CE1-CG 3.87Å; Y151-F158 HydrophobicContact CE1-CZ 4.07Å; Y151-F158 HydrophobicContact CE2-CD1 4.31Å; Y151-F158 AromaticContact CE2-CE1 3.84Å; Y151-F158 HydrophobicContact CE2-CE1 3.84Å; Y151-F158 HydrophobicContact CE2-CZ 4.38Å; Y151-F158 AromaticContact CG-CD1 3.74Å; Y151-F158 HydrophobicContact CG-CD1 3.74Å; Y151-F158 HydrophobicContact CG-CE1 4.08Å; Y151-F158 AromaticContact CZ-CE1 3.7Å; Y151-F158 AromaticContact CZ-CZ 3.91Å; R155-F158 HydrophobicContact CB-CB 4.33Å; R155-F158 VanDerWaalsContact O-CB 3.23Å; R155-F158 WeakPolarHBondContact O-CB 3.31Å; R155-F158 PolarHBondContact O-N 2.9Å; P156-F158 PolarHBondContact O-N 2.9Å; P156-F158 VanDerWaalsContact O-N 3.13Å; F158-D160 VanDerWaalsContact C-N 3.28Å; F158-D160 PolarHBondContact O-N 3.32Å; F158-D161 PolarHBondContact O-N 3.29Å; F158-F162 HydrophobicContact CD1-CE2 4.38Å; F158-F162 HydrophobicContact CD2-CE2 4.06Å; F158-F162 HydrophobicContact CE1-CD2 4.19Å; F158-F162 AromaticContact CE1-CE2 3.99Å; F158-F162 HydrophobicContact CE1-CE2 3.99Å; F158-F162 AromaticContact CE2-CE2 3.65Å; F158-F162 HydrophobicContact CE2-CE2 3.65Å; F158-F162 HydrophobicContact CE2-CZ 4.35Å; F158-F162 HydrophobicContact CG-CE2 4.41Å; F158-F162 HydrophobicContact CZ-CD2 4.26Å; F158-F162 AromaticContact CZ-CE2 3.62Å; F158-F162 HydrophobicContact CZ-CE2 3.62Å; F158-F162 HydrophobicContact CZ-CZ 4.43Å; F158-F162 WeakPolarHBondContact O-CD2 3.34Å; F158-F162 WeakPolarHBondContact O-CE2 3.49Å
159L96.8Very high97.3Very high7 Ų750 Ų504%0.03724%0.244CC..Hα-helixtrans-77.7-15.9-178.9-61.4174.7000112.8F91 I148 M152 P156 Q157 D161 P213 R215 L216F91-L159 HydrophobicContact CD1-CD2 4.34Å; F91-L159 HydrophobicContact CE1-CD2 3.78Å; F91-L159 HydrophobicContact CZ-CD2 4.11Å; I148-L159 HydrophobicContact CG2-CD1 4.25Å; M152-L159 HydrophobicContact CB-CD1 4.37Å; M152-L159 HydrophobicContact CG-CD1 3.5Å; M152-L159 VanDerWaalsContact CG-CD1 3.5Å; P156-L159 PolarHBondContact O-N 2.68Å; Q157-L159 PolarHBondContact O-N 2.72Å; L159-D161 VanDerWaalsContact C-N 3.27Å; L159-P213 HydrophobicContact CD1-CG 4.41Å; L159-R215 PolarHBondContact O-NH2 3.39Å; L159-L216 HydrophobicContact CD2-CD1 4.07Å
160D95.2Very high97.3Very high120 Ų12049.3 Ų49.364%0.64224%0.24SC*.Hα-helixtrans-74.8-23.2177.2-62.4-29.8000111.4Q157 F158 F162Q157-D160 WeakPolarHBondContact O-CB 3.45Å; Q157-D160 PolarHBondContact O-N 3.14Å; Q157-D160 VanDerWaalsContact O-N 3.15Å; F158-D160 VanDerWaalsContact C-N 3.28Å; F158-D160 PolarHBondContact O-N 3.32Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 3.46Å
161D95.3Very high97.4Very high93 Ų9348.3 Ų48.350%0.49724%0.237SC..THydrogen-bonded Turntrans-76.7-13.1178-72.8-34.4000113.7K93 F158 L159K93-D161 WeakPolarHBondContact CE-O 3.47Å; K93-D161 VanDerWaalsContact CG-O 3.26Å; K93-D161 WeakPolarHBondContact CG-O 3.48Å; F158-D161 PolarHBondContact O-N 3.29Å; L159-D161 VanDerWaalsContact C-N 3.27Å
162F97.6Very high97.4Very high21 Ų2147.9 Ų47.99%0.09224%0.235CC..  trans-126.8143.8-173.5-54.9-73.1000112.6F91 F158 D160F91-F162 HydrophobicContact CB-CB 3.75Å; F91-F162 HydrophobicContact CB-CD1 3.87Å; F91-F162 HydrophobicContact CB-CD2 3.66Å; F91-F162 HydrophobicContact CB-CE1 4.39Å; F91-F162 HydrophobicContact CB-CE2 4.22Å; F91-F162 HydrophobicContact CB-CG 3.47Å; F91-F162 VanDerWaalsContact CB-CG 3.47Å; F91-F162 HydrophobicContact CG-CD2 4.31Å; F91-F162 HydrophobicContact CG-CG 4.46Å; F158-F162 HydrophobicContact CD1-CE2 4.38Å; F158-F162 HydrophobicContact CD2-CE2 4.06Å; F158-F162 HydrophobicContact CE1-CD2 4.19Å; F158-F162 AromaticContact CE1-CE2 3.99Å; F158-F162 HydrophobicContact CE1-CE2 3.99Å; F158-F162 AromaticContact CE2-CE2 3.65Å; F158-F162 HydrophobicContact CE2-CE2 3.65Å; F158-F162 HydrophobicContact CE2-CZ 4.35Å; F158-F162 HydrophobicContact CG-CE2 4.41Å; F158-F162 HydrophobicContact CZ-CD2 4.26Å; F158-F162 AromaticContact CZ-CE2 3.62Å; F158-F162 HydrophobicContact CZ-CE2 3.62Å; F158-F162 HydrophobicContact CZ-CZ 4.43Å; F158-F162 WeakPolarHBondContact O-CD2 3.34Å; F158-F162 WeakPolarHBondContact O-CE2 3.49Å; D160-F162 VanDerWaalsContact C-N 3.3Å; D160-F162 PolarHBondContact O-N 3.46Å
163S97.3Very high97.4Very high55 Ų5545.5 Ų45.539%0.38522%0.223SC..SBendtrans-110.7-15.3179.956.70000113.5W92 A94W92-S163 PolarHBondContact O-N 2.99Å; A94-S163 WeakPolarHBondContact CB-OG 3.42Å; A94-S163 PolarHBondContact N-OG 3.39Å
164V98.4Very high97.5Very high8 Ų839 Ų395%0.04820%0.195CC..EExtended strand (participates in β ladder)trans-135.5146.4-177.1-165.30000110.1F91 W92 A94 C182F91-V164 WeakPolarHBondContact CA-O 3.16Å; W92-V164 HydrophobicContact CD2-CB 3.94Å; W92-V164 HydrophobicContact CD2-CG1 4.15Å; W92-V164 HydrophobicContact CG-CB 4.27Å; W92-V164 HydrophobicContact CH2-CG1 3.81Å; W92-V164 HydrophobicContact CZ2-CB 3.93Å; W92-V164 HydrophobicContact CZ2-CG1 3.2Å; W92-V164 HydrophobicContact CZ3-CG1 4.48Å; W92-V164 PolarHBondContact N-O 3.1Å; W92-V164 PolarHBondContact O-N 2.95Å; A94-V164 HydrophobicContact CB-CG2 3.96Å; V164-C182 HydrophobicContact CG1-CB 3.55Å
165A98.6Very high97.6Very high1 Ų135.2 Ų35.21%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-138.6153.6171.400000110.6V89 L90 F91 C182 W192 L216 P218V89-A165 HydrophobicContact CG2-CB 3.99Å; L90-A165 VanDerWaalsContact O-CA 3.26Å; L90-A165 WeakPolarHBondContact O-CA 3.19Å; F91-A165 HydrophobicContact CD1-CB 3.64Å; F91-A165 HydrophobicContact CE1-CB 3.81Å; F91-A165 HydrophobicContact CG-CB 4.45Å; A165-C182 VanDerWaalsContact O-CB 3.26Å; A165-C182 WeakPolarHBondContact O-CB 3.36Å; A165-W192 HydrophobicContact CB-CH2 3.84Å; A165-L216 HydrophobicContact CB-CB 4.21Å; A165-L216 HydrophobicContact CB-CD2 4.44Å; A165-P218 WeakPolarHBondContact O-CG 3.25Å
166G98.5Very high97.7Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-177-177.7-179.500000111.5V89 L90 W92 W192V89-G166 WeakPolarHBondContact CA-O 3.34Å; L90-G166 PolarHBondContact N-O 3.14Å; L90-G166 PolarHBondContact O-N 3.48Å; L90-G166 VanDerWaalsContact O-N 3.08Å; W92-G166 VanDerWaalsContact CZ3-N 3.3Å; G166-W192 VanDerWaalsContact C-CZ2 3.47Å; G166-W192 VanDerWaalsContact CA-CZ2 3.41Å
167T98.6Very high97.7Very high1 Ų125.9 Ų25.91%0.00614%0.136CC..  trans-75.8170.7167.665.30000110.6Q169 D170 Y171 M184 N188T167-Q169 VanDerWaalsContact C-N 3.31Å; T167-Q169 PolarHBondContact O-N 2.87Å; T167-Q169 WeakPolarHBondContact OG1-CG 3.44Å; T167-Q169 PolarHBondContact OG1-NE2 3.38Å; T167-Q169 VanDerWaalsContact OG1-NE2 3.17Å; T167-Q169 PolarHBondContact OG1-OE1 3Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.13Å; T167-D170 WeakPolarHBondContact CB-OD2 3.14Å; T167-D170 PolarHBondContact N-OD2 2.83Å; T167-D170 PolarHBondContact O-N 3.23Å; T167-D170 PolarHBondContact OG1-N 3.38Å; T167-D170 PolarHBondContact OG1-OD2 3.22Å; T167-Y171 PolarHBondContact O-N 3.45Å; T167-M184 HydrophobicContact CG2-CE 4.09Å; T167-N188 HydrophobicContact CG2-CB 4.32Å
168I98.4Very high97.7Very high2 Ų220.7 Ų20.71%0.0113%0.125CC..Hα-helixtrans-63.5-37179.5-172.862000112.2L13 P55 I58 Q85 L90 L114 Y171 V172L13-I168 HydrophobicContact CB-CG2 4.06Å; L13-I168 HydrophobicContact CD2-CG1 3.97Å; P55-I168 HydrophobicContact CB-CD1 4.38Å; I58-I168 HydrophobicContact CD1-CG1 4.31Å; I58-I168 HydrophobicContact CG2-CG1 4.06Å; Q85-I168 HydrophobicContact CG-CG2 3.98Å; L90-I168 HydrophobicContact CD2-CD1 3.79Å; L114-I168 HydrophobicContact CD1-CB 4.39Å; L114-I168 HydrophobicContact CD2-CB 3.78Å; L114-I168 HydrophobicContact CD2-CD1 4.4Å; L114-I168 HydrophobicContact CD2-CG1 4.15Å; L114-I168 HydrophobicContact CD2-CG2 4.17Å; I168-Y171 HydrophobicContact CD1-CD1 4.03Å; I168-Y171 WeakPolarHBondContact O-CB 3.3Å; I168-Y171 PolarHBondContact O-N 3.37Å; I168-V172 WeakPolarHBondContact O-CG2 3.28Å; I168-V172 PolarHBondContact O-N 3.49Å
169Q98.6Very high97.7Very high0 Ų020.2 Ų20.20%012%0.124CC..Hα-helixtrans-70.7-36176.364.1-83.220.300112.2L13 L82 G84 Q85 T167 Y171 V172 V173 N188 A246L13-Q169 HydrophobicContact CD1-CB 4.05Å; L82-Q169 HydrophobicContact CB-CB 4.39Å; G84-Q169 PolarHBondContact O-NE2 3.38Å; Q85-Q169 PolarHBondContact O-OE1 2.85Å; T167-Q169 VanDerWaalsContact C-N 3.31Å; T167-Q169 PolarHBondContact O-N 2.87Å; T167-Q169 WeakPolarHBondContact OG1-CG 3.44Å; T167-Q169 PolarHBondContact OG1-NE2 3.38Å; T167-Q169 VanDerWaalsContact OG1-NE2 3.17Å; T167-Q169 PolarHBondContact OG1-OE1 3Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.13Å; Q169-Y171 VanDerWaalsContact C-N 3.31Å; Q169-V172 PolarHBondContact O-N 3.14Å; Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 3.4Å; Q169-N188 PolarHBondContact NE2-OD1 3.3Å; Q169-A246 HydrophobicContact CB-CB 3.93Å; Q169-A246 HydrophobicContact CG-CB 3.51Å
170D98.6Very high97.5Very high0 Ų024.5 Ų24.50%015%0.147CC..Hα-helixtrans-67.5-35.4173.8-55.5-49.1000111.2T167 V173 S174 C182 M184 A246T167-D170 WeakPolarHBondContact CB-OD2 3.14Å; T167-D170 PolarHBondContact N-OD2 2.83Å; T167-D170 PolarHBondContact O-N 3.23Å; T167-D170 PolarHBondContact OG1-N 3.38Å; T167-D170 PolarHBondContact OG1-OD2 3.22Å; D170-V173 PolarHBondContact O-N 2.96Å; D170-S174 WeakPolarHBondContact O-CB 3.36Å; D170-S174 PolarHBondContact O-N 3.43Å; D170-S174 PolarHBondContact O-OG 3.4Å; D170-C182 WeakPolarHBondContact CB-SG 3.38Å; D170-M184 WeakPolarHBondContact OD2-CE 3.34Å; D170-A246 VanDerWaalsContact OD1-CB 3.3Å; D170-A246 WeakPolarHBondContact OD1-CB 3.35Å
171Y98.8Very high97.5Very high0 Ų021.6 Ų21.60%014%0.136CC..Hα-helixtrans-61.4-49.3172.9164.4-102.5000111.3I59 L90 W92 G97 F106 P108 T111 T167 I168 Q169 V173 S174 M175I59-Y171 HydrophobicContact CD1-CE1 4.29Å; I59-Y171 HydrophobicContact CG1-CE1 4.21Å; L90-Y171 HydrophobicContact CD2-CD1 3.77Å; L90-Y171 HydrophobicContact CD2-CD2 4Å; L90-Y171 HydrophobicContact CD2-CE1 4.33Å; L90-Y171 HydrophobicContact CD2-CG 3.58Å; W92-Y171 HydrophobicContact CB-CD2 4.46Å; W92-Y171 HydrophobicContact CB-CE2 4.35Å; W92-Y171 AromaticContact CD2-CD2 3.73Å; W92-Y171 HydrophobicContact CD2-CD2 3.73Å; W92-Y171 HydrophobicContact CD2-CE2 4.41Å; W92-Y171 AromaticContact CE3-CD2 3.88Å; W92-Y171 HydrophobicContact CE3-CD2 3.88Å; W92-Y171 HydrophobicContact CG-CD2 4Å; W92-Y171 HydrophobicContact CG-CE2 4.21Å; W92-Y171 HydrophobicContact CZ2-CD2 4.48Å; W92-Y171 HydrophobicContact CZ3-CD2 4.33Å; G97-Y171 WeakPolarHBondContact O-CE2 3.4Å; G97-Y171 PolarHBondContact O-OH 2.84Å; F106-Y171 HydrophobicContact CE2-CE1 4.06Å; P108-Y171 VanDerWaalsContact CA-OH 3.31Å; P108-Y171 WeakPolarHBondContact CA-OH 3.37Å; P108-Y171 WeakPolarHBondContact CB-OH 3.19Å; T111-Y171 HydrophobicContact CG2-CE2 3.85Å; T167-Y171 PolarHBondContact O-N 3.45Å; I168-Y171 HydrophobicContact CD1-CD1 4.03Å; I168-Y171 WeakPolarHBondContact O-CB 3.3Å; I168-Y171 PolarHBondContact O-N 3.37Å; Q169-Y171 VanDerWaalsContact C-N 3.31Å; Y171-V173 VanDerWaalsContact C-N 3.34Å; Y171-V173 PolarHBondContact O-N 2.91Å; Y171-S174 WeakPolarHBondContact O-CA 3.27Å; Y171-S174 WeakPolarHBondContact O-CB 2.94Å; Y171-S174 PolarHBondContact O-N 3.37Å; Y171-S174 VanDerWaalsContact O-N 3.07Å; Y171-M175 HydrophobicContact CD1-CG 4.47Å; Y171-M175 HydrophobicContact CD2-CE 4.1Å; Y171-M175 HydrophobicContact CD2-CG 3.92Å; Y171-M175 HydrophobicContact CD2-SD 4.27Å; Y171-M175 HydrophobicContact CE1-CG 4.05Å; Y171-M175 HydrophobicContact CE2-CE 3.97Å; Y171-M175 HydrophobicContact CE2-CG 3.42Å; Y171-M175 VanDerWaalsContact CE2-CG 3.42Å; Y171-M175 HydrophobicContact CE2-SD 3.59Å; Y171-M175 VanDerWaalsContact CE2-SD 3.59Å; Y171-M175 HydrophobicContact CG-CG 4.41Å; Y171-M175 VanDerWaalsContact CZ-CG 3.49Å; Y171-M175 WeakPolarHBondContact O-CG 3.11Å; Y171-M175 PolarHBondContact O-N 2.84Å
172V98.6Very high97.6Very high0 Ų017.3 Ų17.30%011%0.113CC..Hα-helixtrans-61.9-43178.3-179.40000111.2L13 I59 L82 F106 I168 Q169 S174 M175 L176L13-V172 HydrophobicContact CD2-CG2 3.8Å; I59-V172 HydrophobicContact CD1-CG2 3.42Å; I59-V172 VanDerWaalsContact CD1-CG2 3.42Å; L82-V172 HydrophobicContact CD2-CB 3.5Å; L82-V172 HydrophobicContact CD2-CG1 3.27Å; F106-V172 HydrophobicContact CE1-CG1 4.26Å; F106-V172 HydrophobicContact CZ-CG1 4.09Å; F106-V172 HydrophobicContact CZ-CG2 4.3Å; I168-V172 WeakPolarHBondContact O-CG2 3.28Å; I168-V172 PolarHBondContact O-N 3.49Å; Q169-V172 PolarHBondContact O-N 3.14Å; V172-S174 VanDerWaalsContact C-N 3.27Å; V172-S174 PolarHBondContact O-N 2.82Å; V172-M175 PolarHBondContact O-N 2.89Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.09Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 VanDerWaalsContact O-CG 3.28Å; V172-L176 WeakPolarHBondContact O-CG 3.34Å; V172-L176 PolarHBondContact O-N 2.89Å
173V98.6Very high97.7Very high0 Ų016.3 Ų16.30%011%0.109CC..Hα-helixtrans-54.3-46.2172.5165.70000111.2L82 Q169 D170 Y171 M175 L176 C177 V227 V243 A246L82-V173 HydrophobicContact CB-CG2 4.06Å; L82-V173 HydrophobicContact CD1-CG2 3.76Å; L82-V173 HydrophobicContact CD2-CG2 4.35Å; L82-V173 HydrophobicContact CG-CG2 4.27Å; Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 3.4Å; D170-V173 PolarHBondContact O-N 2.96Å; Y171-V173 VanDerWaalsContact C-N 3.34Å; Y171-V173 PolarHBondContact O-N 2.91Å; V173-M175 PolarHBondContact O-N 2.66Å; V173-L176 PolarHBondContact O-N 3.29Å; V173-C177 WeakPolarHBondContact O-CB 3.35Å; V173-C177 PolarHBondContact O-N 3.34Å; V173-C177 PolarHBondContact O-SG 3.36Å; V173-C177 VanDerWaalsContact O-SG 3.38Å; V173-V227 HydrophobicContact CG1-CG2 3.48Å; V173-V227 VanDerWaalsContact CG1-CG2 3.48Å; V173-V243 HydrophobicContact CG1-CG1 4.35Å; V173-V243 HydrophobicContact CG2-CG1 4.23Å; V173-A246 HydrophobicContact CG2-CB 3.88Å
174S98.4Very high97.7Very high0 Ų013.7 Ų13.70%09%0.091CC..Hα-helixtrans-63.1-42.4179.9-56.40000111.9D170 Y171 V172 C177 G178 L179D170-S174 WeakPolarHBondContact O-CB 3.36Å; D170-S174 PolarHBondContact O-N 3.43Å; D170-S174 PolarHBondContact O-OG 3.4Å; Y171-S174 WeakPolarHBondContact O-CA 3.27Å; Y171-S174 WeakPolarHBondContact O-CB 2.94Å; Y171-S174 PolarHBondContact O-N 3.37Å; Y171-S174 VanDerWaalsContact O-N 3.07Å; V172-S174 VanDerWaalsContact C-N 3.27Å; V172-S174 PolarHBondContact O-N 2.82Å; S174-C177 PolarHBondContact O-N 3.04Å; S174-G178 PolarHBondContact O-N 3.5Å; S174-L179 PolarHBondContact O-N 3.43Å
175M97.7Very high97.7Very high12 Ų1213.3 Ų13.36%0.0599%0.088CC..Hα-helixtrans-71.7-37.9-179.8-62.3-52.495.800112.4G97 C98 W100 F106 Y171 V172 V173 C177G97-M175 VanDerWaalsContact C-SD 3.56Å; C98-M175 HydrophobicContact CB-CB 4.33Å; C98-M175 HydrophobicContact CB-CG 3.94Å; C98-M175 HydrophobicContact CB-SD 3.58Å; C98-M175 VanDerWaalsContact CB-SD 3.58Å; C98-M175 PolarHBondContact SG-SD 3.32Å; W100-M175 PolarHBondContact NE1-O 3.24Å; F106-M175 HydrophobicContact CD2-CB 4.27Å; F106-M175 HydrophobicContact CD2-CG 4.46Å; F106-M175 HydrophobicContact CE1-CB 4.25Å; F106-M175 HydrophobicContact CE2-CB 3.92Å; F106-M175 HydrophobicContact CE2-CG 4Å; F106-M175 HydrophobicContact CZ-CB 3.91Å; F106-M175 HydrophobicContact CZ-CG 4.36Å; Y171-M175 HydrophobicContact CD1-CG 4.47Å; Y171-M175 HydrophobicContact CD2-CE 4.1Å; Y171-M175 HydrophobicContact CD2-CG 3.92Å; Y171-M175 HydrophobicContact CD2-SD 4.27Å; Y171-M175 HydrophobicContact CE1-CG 4.05Å; Y171-M175 HydrophobicContact CE2-CE 3.97Å; Y171-M175 HydrophobicContact CE2-CG 3.42Å; Y171-M175 VanDerWaalsContact CE2-CG 3.42Å; Y171-M175 HydrophobicContact CE2-SD 3.59Å; Y171-M175 VanDerWaalsContact CE2-SD 3.59Å; Y171-M175 HydrophobicContact CG-CG 4.41Å; Y171-M175 VanDerWaalsContact CZ-CG 3.49Å; Y171-M175 WeakPolarHBondContact O-CG 3.11Å; Y171-M175 PolarHBondContact O-N 2.84Å; V172-M175 PolarHBondContact O-N 2.89Å; V173-M175 PolarHBondContact O-N 2.66Å; M175-C177 VanDerWaalsContact C-N 3.33Å
176L97.6Very high97.6Very high1 Ų113.9 Ų13.91%0.0059%0.092CC..Hα-helixtrans-64.2-40174.9-69.7178.3000111.6V80 L82 W100 F106 V172 V173 T230 H231 W234V80-L176 HydrophobicContact CG1-CD1 4.36Å; L82-L176 HydrophobicContact CD1-CD1 4.1Å; W100-L176 HydrophobicContact CH2-CD2 4.03Å; W100-L176 HydrophobicContact CZ2-CD2 4.16Å; F106-L176 HydrophobicContact CE1-CD2 4.15Å; V172-L176 HydrophobicContact CG1-CD1 3.97Å; V172-L176 HydrophobicContact CG1-CG 4.09Å; V172-L176 WeakPolarHBondContact O-CB 3.31Å; V172-L176 VanDerWaalsContact O-CG 3.28Å; V172-L176 WeakPolarHBondContact O-CG 3.34Å; V172-L176 PolarHBondContact O-N 2.89Å; V173-L176 PolarHBondContact O-N 3.29Å; L176-T230 CarbonylContact O-C 3.58Å; L176-T230 VanDerWaalsContact O-CA 3.31Å; L176-T230 WeakPolarHBondContact O-CA 3.22Å; L176-H231 PolarHBondContact O-N 3.49Å; L176-W234 HydrophobicContact CD1-CE3 4.07Å; L176-W234 HydrophobicContact CD1-CH2 3.76Å; L176-W234 HydrophobicContact CD1-CZ2 4.47Å; L176-W234 HydrophobicContact CD1-CZ3 3.56Å; L176-W234 HydrophobicContact CD2-CD2 3.56Å; L176-W234 HydrophobicContact CD2-CE3 3.62Å; L176-W234 HydrophobicContact CD2-CG 4.07Å; L176-W234 HydrophobicContact CD2-CH2 4.04Å; L176-W234 HydrophobicContact CD2-CZ2 4.01Å; L176-W234 HydrophobicContact CD2-CZ3 3.89Å; L176-W234 HydrophobicContact CG-CH2 4.46Å; L176-W234 HydrophobicContact CG-CZ3 4.38Å
177C97.4Very high97.6Very high17 Ų1713.9 Ų13.912%0.1159%0.092CC..Hα-helixtrans-90.9-5-175.9-63.90000114.4V173 S174 M175 L179 Q229 V243V173-C177 WeakPolarHBondContact O-CB 3.35Å; V173-C177 PolarHBondContact O-N 3.34Å; V173-C177 PolarHBondContact O-SG 3.36Å; V173-C177 VanDerWaalsContact O-SG 3.38Å; S174-C177 PolarHBondContact O-N 3.04Å; M175-C177 VanDerWaalsContact C-N 3.33Å; C177-L179 VanDerWaalsContact C-N 3.35Å; C177-L179 HydrophobicContact CB-CD1 4.15Å; C177-L179 HydrophobicContact CB-CD2 3.87Å; C177-L179 HydrophobicContact CB-CG 3.66Å; C177-Q229 WeakPolarHBondContact CA-O 3.44Å; C177-V243 VanDerWaalsContact SG-CB 3.52Å
178G96.1Very high97.5Very high48 Ų4813.9 Ų13.950%0.4959%0.092SC..THydrogen-bonded Turntrans62.338-173.900000113.3S174S174-G178 PolarHBondContact O-N 3.5Å
179L96.4Very high97.5Very high38 Ų3813.8 Ų13.820%0.1999%0.091CC..  trans-80.8134.7-177.2-55.1179.4000111.9S174 C177 S181 V183S174-L179 PolarHBondContact O-N 3.43Å; C177-L179 VanDerWaalsContact C-N 3.35Å; C177-L179 HydrophobicContact CB-CD1 4.15Å; C177-L179 HydrophobicContact CB-CD2 3.87Å; C177-L179 HydrophobicContact CB-CG 3.66Å; L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.25Å; L179-V183 HydrophobicContact CD1-CG2 4.02Å
180D93.4Very high97.3Very high97 Ų9713.8 Ų13.852%0.5199%0.091SC..SBendtrans-73.2-17.6171.8-75-46.8000113.8N95N95-D180 VanDerWaalsContact CG-OD1 3.24Å; N95-D180 PolarHBondContact ND2-OD1 3.47Å; N95-D180 PolarHBondContact OD1-OD1 3.04Å
181S94.8Very high96.9Very high59 Ų5913.8 Ų13.841%0.4139%0.091SC..SBendtrans-137.6144.3-176.467.50000111.1L179L179-S181 VanDerWaalsContact C-N 3.26Å; L179-S181 PolarHBondContact O-N 3.25Å
182C98Very high96.8Very high3 Ų313.8 Ų13.82%0.029%0.091CC..  trans-66.1134.3174.6-173.70000111W92 V164 A165 D170 P218 R219W92-C182 HydrophobicContact CH2-CB 3.79Å; W92-C182 HydrophobicContact CZ2-CB 3.86Å; V164-C182 HydrophobicContact CG1-CB 3.55Å; A165-C182 VanDerWaalsContact O-CB 3.26Å; A165-C182 WeakPolarHBondContact O-CB 3.36Å; D170-C182 WeakPolarHBondContact CB-SG 3.38Å; C182-P218 HydrophobicContact CB-CB 4.05Å; C182-P218 HydrophobicContact CB-CG 4.22Å; C182-P218 WeakPolarHBondContact O-CA 3.33Å; C182-R219 PolarHBondContact O-N 2.9Å
183V98.1Very high96.6Very high1 Ų113.8 Ų13.81%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-109.9136.5168.5177.20000108.2L179 R219 V221 V227L179-V183 HydrophobicContact CD1-CG2 4.02Å; V183-R219 WeakPolarHBondContact CA-O 3.32Å; V183-V221 HydrophobicContact CG1-CB 4.08Å; V183-V221 HydrophobicContact CG1-CG1 3.64Å; V183-V221 HydrophobicContact CG1-CG2 3.29Å; V183-V227 HydrophobicContact CB-CG1 4.46Å; V183-V227 HydrophobicContact CG1-CB 4.38Å; V183-V227 HydrophobicContact CG1-CG1 3.68Å
184M98.4Very high96.4Very high0 Ų013.8 Ų13.80%09%0.091CC..EExtended strand (participates in β ladder)trans-138.2150.9-175-175.3-179.7-83.600110.7T167 D170 N188 A189 W192 W202 P218 R219 C220 V221T167-M184 HydrophobicContact CG2-CE 4.09Å; D170-M184 WeakPolarHBondContact OD2-CE 3.34Å; M184-N188 HydrophobicContact CE-CB 4.36Å; M184-N188 HydrophobicContact CG-CB 3.66Å; M184-N188 HydrophobicContact SD-CB 3.99Å; M184-A189 HydrophobicContact CG-CB 4.28Å; M184-A189 VanDerWaalsContact SD-CA 3.56Å; M184-A189 HydrophobicContact SD-CB 3.78Å; M184-W192 HydrophobicContact CE-CD2 3.95Å; M184-W192 HydrophobicContact CE-CE3 4.33Å; M184-W192 HydrophobicContact CE-CG 4.44Å; M184-W192 HydrophobicContact CE-CH2 4.37Å; M184-W192 HydrophobicContact CE-CZ2 3.99Å; M184-W192 HydrophobicContact SD-CD2 4.42Å; M184-W202 HydrophobicContact SD-CH2 4.15Å; M184-W202 HydrophobicContact SD-CZ2 4.08Å; M184-P218 HydrophobicContact CB-CB 3.46Å; M184-P218 VanDerWaalsContact CB-CB 3.46Å; M184-P218 HydrophobicContact CB-CG 4.11Å; M184-P218 HydrophobicContact CE-CB 4.28Å; M184-P218 HydrophobicContact CE-CG 3.57Å; M184-P218 HydrophobicContact CG-CB 4.44Å; M184-P218 HydrophobicContact SD-CB 4.24Å; M184-P218 HydrophobicContact SD-CG 3.94Å; M184-R219 PolarHBondContact N-O 2.92Å; M184-C220 CarbonylContact O-C 3.6Å; M184-C220 WeakPolarHBondContact O-CA 3.46Å; M184-V221 PolarHBondContact O-N 2.76Å
185T98.1Very high96.3Very high0 Ų013.8 Ų13.80%09%0.091CC..  trans-92.8155.5173.159.40000112Q187 N188 A189 V221 P223 A245 A246 L247T185-Q187 PolarHBondContact O-N 2.92Å; T185-N188 PolarHBondContact O-N 3.2Å; T185-A189 WeakPolarHBondContact O-CB 3.27Å; T185-A189 PolarHBondContact O-N 3.18Å; T185-V221 WeakPolarHBondContact CA-O 3.16Å; T185-P223 HydrophobicContact CG2-CB 4.32Å; T185-A245 HydrophobicContact CG2-CB 3.54Å; T185-A246 WeakPolarHBondContact CG2-O 3.13Å; T185-A246 PolarHBondContact OG1-O 3.22Å; T185-L247 HydrophobicContact CG2-CD2 4.02Å
186P97.5Very high96.2Very high13 Ų1315 Ų158%0.08410%0.098CC..Hα-helixtrans-49.8-28.7171.2-31.835.2000114.3A190 F195 V221 P298P186-A190 VanDerWaalsContact O-CB 3.25Å; P186-A190 WeakPolarHBondContact O-CB 3.17Å; P186-A190 PolarHBondContact O-N 3.46Å; P186-F195 HydrophobicContact CB-CE1 3.93Å; P186-F195 HydrophobicContact CB-CZ 4.2Å; P186-F195 HydrophobicContact CG-CE1 4.49Å; P186-F195 HydrophobicContact CG-CZ 4.28Å; P186-V221 WeakPolarHBondContact CD-O 3.39Å; P186-P298 HydrophobicContact CB-CB 4.02Å; P186-P298 HydrophobicContact CB-CG 4.4Å
187Q97.1Very high96Very high0 Ų015.3 Ų15.30%010%0.1CC..Hα-helixtrans-58.2-50.6176.8-62.1-178.8-15.900111.1M86 T185 P223 Q251M86-Q187 WeakPolarHBondContact CE-O 3.43Å; T185-Q187 PolarHBondContact O-N 2.92Å; Q187-P223 HydrophobicContact CG-CB 4.43Å; Q187-Q251 HydrophobicContact CB-CG 4.37Å; Q187-Q251 HydrophobicContact CG-CG 3.95Å
188N97.5Very high95.6Very high0 Ų017.9 Ų17.90%012%0.122CC..Hα-helixtrans-76.9-42.6176.9-68-31.6000111.5T167 Q169 M184 T185 A190 S191 W192 A246 G248T167-N188 HydrophobicContact CG2-CB 4.32Å; Q169-N188 PolarHBondContact NE2-OD1 3.3Å; M184-N188 HydrophobicContact CE-CB 4.36Å; M184-N188 HydrophobicContact CG-CB 3.66Å; M184-N188 HydrophobicContact SD-CB 3.99Å; T185-N188 PolarHBondContact O-N 3.2Å; N188-A190 PolarHBondContact O-N 2.98Å; N188-S191 CarbonylContact O-C 3.19Å; N188-S191 WeakPolarHBondContact O-CA 3.35Å; N188-S191 WeakPolarHBondContact O-CB 3.37Å; N188-S191 PolarHBondContact O-N 3.38Å; N188-S191 PolarHBondContact O-OG 2.79Å; N188-W192 PolarHBondContact O-N 3.49Å; N188-A246 PolarHBondContact ND2-O 2.97Å; N188-G248 WeakPolarHBondContact OD1-CA 3.24Å
189A97.6Very high95.4Very high0 Ų018.3 Ų18.30%012%0.118CC..Hα-helixtrans-62.3-40.3-174.500000113.5M184 T185 S191 W192 F195 W202M184-A189 HydrophobicContact CG-CB 4.28Å; M184-A189 VanDerWaalsContact SD-CA 3.56Å; M184-A189 HydrophobicContact SD-CB 3.78Å; T185-A189 WeakPolarHBondContact O-CB 3.27Å; T185-A189 PolarHBondContact O-N 3.18Å; A189-S191 PolarHBondContact O-N 3.45Å; A189-S191 VanDerWaalsContact O-N 3.17Å; A189-W192 WeakPolarHBondContact O-CB 3.34Å; A189-W192 PolarHBondContact O-N 2.9Å; A189-F195 HydrophobicContact CB-CB 4.34Å; A189-F195 HydrophobicContact CB-CD1 3.95Å; A189-F195 HydrophobicContact CB-CD2 3.75Å; A189-F195 HydrophobicContact CB-CE1 4.14Å; A189-F195 HydrophobicContact CB-CE2 3.97Å; A189-F195 HydrophobicContact CB-CG 3.74Å; A189-F195 HydrophobicContact CB-CZ 4.14Å; A189-F195 WeakPolarHBondContact O-CB 3.49Å; A189-W202 HydrophobicContact CB-CH2 3.66Å; A189-W202 HydrophobicContact CB-CZ2 3.79Å; A189-W202 HydrophobicContact CB-CZ3 4.38Å
190A94.7Very high95.2Very high0 Ų018.7 Ų18.70%012%0.124CC..Hα-helixtrans-55.4-36.1174.800000112.1F137 P186 N188 W192 F195 T197 P298F137-A190 HydrophobicContact CD2-CB 3.86Å; F137-A190 HydrophobicContact CE2-CB 3.74Å; P186-A190 VanDerWaalsContact O-CB 3.25Å; P186-A190 WeakPolarHBondContact O-CB 3.17Å; P186-A190 PolarHBondContact O-N 3.46Å; N188-A190 PolarHBondContact O-N 2.98Å; A190-W192 VanDerWaalsContact C-N 3.34Å; A190-F195 HydrophobicContact CB-CD1 4.41Å; A190-T197 HydrophobicContact CB-CG2 3.71Å; A190-P298 HydrophobicContact CB-CG 3.74Å
191S91.2Very high95.3Very high0 Ų020.1 Ų20.10%013%0.127CC..THydrogen-bonded Turntrans-891-176.990.60000113.9H87 F143 N188 A189H87-S191 PolarHBondContact N-OG 3.5Å; H87-S191 WeakPolarHBondContact ND1-CB 3.42Å; H87-S191 PolarHBondContact ND1-O 3.5Å; H87-S191 PolarHBondContact ND1-OG 3.01Å; F143-S191 WeakPolarHBondContact CD1-O 3.38Å; F143-S191 WeakPolarHBondContact CD2-O 3.31Å; F143-S191 WeakPolarHBondContact CE2-O 3.44Å; F143-S191 WeakPolarHBondContact CG-O 3.32Å; N188-S191 CarbonylContact O-C 3.19Å; N188-S191 WeakPolarHBondContact O-CA 3.35Å; N188-S191 WeakPolarHBondContact O-CB 3.37Å; N188-S191 PolarHBondContact O-N 3.38Å; N188-S191 PolarHBondContact O-OG 2.79Å; A189-S191 PolarHBondContact O-N 3.45Å; A189-S191 VanDerWaalsContact O-N 3.17Å
192W95.4Very high95.5Very high0 Ų018.4 Ų18.40%011%0.112CC..THydrogen-bonded Turntrans-90.8-15168.5-104.133.5000112.8H87 G88 V89 C145 I148 A165 G166 M184 N188 A189 A190 W202 P218H87-W192 VanDerWaalsContact O-CD1 3.26Å; H87-W192 PolarHBondContact O-NE1 2.95Å; G88-W192 PolarHBondContact O-NE1 2.84Å; V89-W192 HydrophobicContact CB-CZ2 3.8Å; V89-W192 HydrophobicContact CG2-CH2 3.88Å; V89-W192 HydrophobicContact CG2-CZ2 3.58Å; C145-W192 WeakPolarHBondContact CB-O 3.41Å; C145-W192 PolarHBondContact N-O 3.48Å; I148-W192 HydrophobicContact CD1-CZ3 4.47Å; A165-W192 HydrophobicContact CB-CH2 3.84Å; G166-W192 VanDerWaalsContact C-CZ2 3.47Å; G166-W192 VanDerWaalsContact CA-CZ2 3.41Å; M184-W192 HydrophobicContact CE-CD2 3.95Å; M184-W192 HydrophobicContact CE-CE3 4.33Å; M184-W192 HydrophobicContact CE-CG 4.44Å; M184-W192 HydrophobicContact CE-CH2 4.37Å; M184-W192 HydrophobicContact CE-CZ2 3.99Å; M184-W192 HydrophobicContact SD-CD2 4.42Å; N188-W192 PolarHBondContact O-N 3.49Å; A189-W192 WeakPolarHBondContact O-CB 3.34Å; A189-W192 PolarHBondContact O-N 2.9Å; A190-W192 VanDerWaalsContact C-N 3.34Å; W192-W202 HydrophobicContact CB-CH2 3.9Å; W192-W202 HydrophobicContact CB-CZ3 4.08Å; W192-W202 HydrophobicContact CD2-CH2 4.34Å; W192-W202 AromaticContact CE3-CH2 3.76Å; W192-W202 HydrophobicContact CE3-CH2 3.76Å; W192-W202 HydrophobicContact CE3-CZ2 4.42Å; W192-W202 HydrophobicContact CE3-CZ3 4.4Å; W192-W202 HydrophobicContact CG-CH2 4.46Å; W192-P218 HydrophobicContact CE3-CG 4.39Å; W192-P218 HydrophobicContact CH2-CG 4.01Å; W192-P218 HydrophobicContact CZ3-CG 3.8Å
193G93.8Very high95.4Very high0 Ų018.8 Ų18.80%011%0.114CC..SBendtrans79.5160.6-175.600000113C145 F195 W202C145-G193 PolarHBondContact SG-O 3.2Å; G193-F195 PolarHBondContact O-N 2.85Å; G193-W202 WeakPolarHBondContact O-CZ3 3.14Å
194F95.8Very high95.3Very high0 Ų022.7 Ų22.70%013%0.132CC..SBendtrans57.130.6-176-62.4-88.8000114.6L130 P131 P133 V139 C145 F149 W202 N203 I206 L207L130-F194 HydrophobicContact CB-CZ 4.47Å; P131-F194 HydrophobicContact CB-CE1 4.37Å; P131-F194 HydrophobicContact CG-CE1 3.79Å; P131-F194 HydrophobicContact CG-CZ 3.89Å; P131-F194 VanDerWaalsContact O-CE1 3.27Å; P131-F194 WeakPolarHBondContact O-CE1 3.32Å; P131-F194 WeakPolarHBondContact O-CZ 3.3Å; P133-F194 HydrophobicContact CB-CD1 3.77Å; P133-F194 HydrophobicContact CB-CE1 4.05Å; P133-F194 HydrophobicContact CB-CG 4.19Å; V139-F194 HydrophobicContact CG1-CE2 4.34Å; V139-F194 HydrophobicContact CG2-CD2 3.85Å; V139-F194 HydrophobicContact CG2-CE2 3.53Å; V139-F194 HydrophobicContact CG2-CZ 4.12Å; C145-F194 HydrophobicContact CB-CD2 3.69Å; C145-F194 HydrophobicContact CB-CE2 4.35Å; F149-F194 HydrophobicContact CD2-CE2 4.21Å; F149-F194 HydrophobicContact CE2-CD2 4.27Å; F149-F194 AromaticContact CE2-CE2 3.63Å; F149-F194 HydrophobicContact CE2-CE2 3.63Å; F149-F194 AromaticContact CE2-CZ 3.85Å; F149-F194 HydrophobicContact CE2-CZ 3.85Å; F194-W202 CarbonylContact O-C 3.57Å; F194-W202 WeakPolarHBondContact O-CA 3.43Å; F194-N203 WeakPolarHBondContact CA-OD1 3.5Å; F194-N203 HydrophobicContact CB-CB 4.33Å; F194-N203 HydrophobicContact CD1-CB 4.48Å; F194-N203 PolarHBondContact O-N 3.05Å; F194-N203 PolarHBondContact O-OD1 2.92Å; F194-I206 HydrophobicContact CD1-CG2 4.33Å; F194-I206 HydrophobicContact CE1-CG2 4.11Å; F194-L207 HydrophobicContact CB-CD1 3.92Å; F194-L207 HydrophobicContact CB-CD2 3.9Å; F194-L207 HydrophobicContact CB-CG 4.07Å; F194-L207 HydrophobicContact CD1-CD2 3.73Å; F194-L207 HydrophobicContact CD1-CG 4.21Å; F194-L207 HydrophobicContact CD2-CD2 3.98Å; F194-L207 HydrophobicContact CE1-CD2 4.23Å; F194-L207 HydrophobicContact CE2-CD2 4.43Å; F194-L207 HydrophobicContact CG-CD2 3.59Å; F194-L207 HydrophobicContact CG-CG 4.2Å
195F96.2Very high95.3Very high0 Ų029.1 Ų29.10%017%0.166CC..EExtended strand (participates in β ladder)trans-118.5122.5173.6-175.2-100.3000109.6S135 P186 A189 A190 G193 T197 S200 W202 C220S135-F195 VanDerWaalsContact CB-O 3.22Å; S135-F195 WeakPolarHBondContact CB-O 3.46Å; S135-F195 PolarHBondContact OG-O 3.44Å; P186-F195 HydrophobicContact CB-CE1 3.93Å; P186-F195 HydrophobicContact CB-CZ 4.2Å; P186-F195 HydrophobicContact CG-CE1 4.49Å; P186-F195 HydrophobicContact CG-CZ 4.28Å; A189-F195 HydrophobicContact CB-CB 4.34Å; A189-F195 HydrophobicContact CB-CD1 3.95Å; A189-F195 HydrophobicContact CB-CD2 3.75Å; A189-F195 HydrophobicContact CB-CE1 4.14Å; A189-F195 HydrophobicContact CB-CE2 3.97Å; A189-F195 HydrophobicContact CB-CG 3.74Å; A189-F195 HydrophobicContact CB-CZ 4.14Å; A189-F195 WeakPolarHBondContact O-CB 3.49Å; A190-F195 HydrophobicContact CB-CD1 4.41Å; G193-F195 PolarHBondContact O-N 2.85Å; F195-T197 HydrophobicContact CD1-CG2 4.05Å; F195-T197 HydrophobicContact CE1-CG2 4.38Å; F195-T197 PolarHBondContact O-N 3.13Å; F195-S200 VanDerWaalsContact CE2-C 3.49Å; F195-S200 VanDerWaalsContact CZ-CA 3.47Å; F195-W202 HydrophobicContact CB-CE3 3.78Å; F195-W202 HydrophobicContact CB-CZ3 3.8Å; F195-W202 AromaticContact CD2-CD2 3.79Å; F195-W202 HydrophobicContact CD2-CD2 3.79Å; F195-W202 AromaticContact CD2-CE3 3.89Å; F195-W202 HydrophobicContact CD2-CE3 3.89Å; F195-W202 HydrophobicContact CD2-CG 4.2Å; F195-W202 HydrophobicContact CD2-CZ2 4.47Å; F195-W202 HydrophobicContact CD2-CZ3 4.27Å; F195-W202 HydrophobicContact CG-CE3 4.32Å; F195-W202 HydrophobicContact CG-CZ3 4.44Å; F195-C220 HydrophobicContact CE2-CB 4.1Å; F195-C220 WeakPolarHBondContact CE2-SG 3.39Å; F195-C220 HydrophobicContact CZ-CB 4.44Å
196N94.4Very high95.2Very high38 Ų3830.8 Ų30.820%0.20318%0.175CC..EExtended strand (participates in β ladder)trans-83.7112.9173.7-174.1-43.9000108.6E134 A198 S199 S200 Q201E134-N196 WeakPolarHBondContact O-CB 3.24Å; E134-N196 PolarHBondContact O-ND2 3Å; N196-A198 WeakPolarHBondContact OD1-CB 3.34Å; N196-A198 PolarHBondContact OD1-N 2.96Å; N196-S199 WeakPolarHBondContact CB-OG 3.42Å; N196-S199 PolarHBondContact OD1-N 3.49Å; N196-S199 PolarHBondContact OD1-OG 3.46Å; N196-S200 WeakPolarHBondContact O-CA 3.39Å; N196-S200 PolarHBondContact O-N 2.8Å; N196-Q201 PolarHBondContact N-O 2.72Å; N196-Q201 PolarHBondContact O-N 3.43Å; N196-Q201 VanDerWaalsContact O-N 3.13Å
197T93.2Very high95.2Very high8 Ų830.2 Ų30.25%0.04917%0.171CC..THydrogen-bonded Turntrans-74.9-27.7-176.557.40000112.9H136 F137 A190 F195 S200 P298 Y304H136-T197 PolarHBondContact CE1-OG1 2.91Å; H136-T197 PolarHBondContact ND1-OG1 2.97Å; F137-T197 HydrophobicContact CD2-CG2 4.19Å; F137-T197 HydrophobicContact CE2-CG2 4.27Å; A190-T197 HydrophobicContact CB-CG2 3.71Å; F195-T197 HydrophobicContact CD1-CG2 4.05Å; F195-T197 HydrophobicContact CE1-CG2 4.38Å; F195-T197 PolarHBondContact O-N 3.13Å; T197-S200 PolarHBondContact O-OG 2.88Å; T197-P298 HydrophobicContact CG2-CG 3.6Å; T197-Y304 PolarHBondContact O-OH 3.41Å; T197-Y304 PolarHBondContact OG1-OH 2.55Å
198A89.9Confident95.3Very high70 Ų7035.1 Ų35.158%0.57919%0.192SC*.THydrogen-bonded Turntrans-71.6-42.7177.500000111.8N196N196-A198 WeakPolarHBondContact OD1-CB 3.34Å; N196-A198 PolarHBondContact OD1-N 2.96Å
199S92Very high95.3Very high57 Ų5739.6 Ų39.640%0.39923%0.229SC..THydrogen-bonded Turntrans-87.8-11.2174.4660000113.7N196 Q201N196-S199 WeakPolarHBondContact CB-OG 3.42Å; N196-S199 PolarHBondContact OD1-N 3.49Å; N196-S199 PolarHBondContact OD1-OG 3.46Å; S199-Q201 VanDerWaalsContact C-N 3.28Å; S199-Q201 PolarHBondContact O-N 2.73Å
200S92.9Very high95.3Very high47 Ų4741.6 Ų41.633%0.32925%0.246SC..THydrogen-bonded Turntrans54.141.1-171.8-68.20000113.4F195 N196 T197F195-S200 VanDerWaalsContact CE2-C 3.49Å; F195-S200 VanDerWaalsContact CZ-CA 3.47Å; N196-S200 WeakPolarHBondContact O-CA 3.39Å; N196-S200 PolarHBondContact O-N 2.8Å; T197-S200 PolarHBondContact O-OG 2.88Å
201Q95.4Very high95.4Very high127 Ų12744.1 Ų44.159%0.59327%0.272SS*.EExtended strand (participates in β ladder)trans-133.2148.2-178.5-67.4179.124.600112N196 S199N196-Q201 PolarHBondContact N-O 2.72Å; N196-Q201 PolarHBondContact O-N 3.43Å; N196-Q201 VanDerWaalsContact O-N 3.13Å; S199-Q201 VanDerWaalsContact C-N 3.28Å; S199-Q201 PolarHBondContact O-N 2.73Å
202W97.6Very high95.7Very high23 Ų2344.5 Ų44.59%0.08727%0.273CS..EExtended strand (participates in β ladder)trans-63.5148.3168.2-61.4109.8000110.9M184 A189 W192 G193 F194 F195 E204 L217 P218 C220M184-W202 HydrophobicContact SD-CH2 4.15Å; M184-W202 HydrophobicContact SD-CZ2 4.08Å; A189-W202 HydrophobicContact CB-CH2 3.66Å; A189-W202 HydrophobicContact CB-CZ2 3.79Å; A189-W202 HydrophobicContact CB-CZ3 4.38Å; W192-W202 HydrophobicContact CB-CH2 3.9Å; W192-W202 HydrophobicContact CB-CZ3 4.08Å; W192-W202 HydrophobicContact CD2-CH2 4.34Å; W192-W202 AromaticContact CE3-CH2 3.76Å; W192-W202 HydrophobicContact CE3-CH2 3.76Å; W192-W202 HydrophobicContact CE3-CZ2 4.42Å; W192-W202 HydrophobicContact CE3-CZ3 4.4Å; W192-W202 HydrophobicContact CG-CH2 4.46Å; G193-W202 WeakPolarHBondContact O-CZ3 3.14Å; F194-W202 CarbonylContact O-C 3.57Å; F194-W202 WeakPolarHBondContact O-CA 3.43Å; F195-W202 HydrophobicContact CB-CE3 3.78Å; F195-W202 HydrophobicContact CB-CZ3 3.8Å; F195-W202 AromaticContact CD2-CD2 3.79Å; F195-W202 HydrophobicContact CD2-CD2 3.79Å; F195-W202 AromaticContact CD2-CE3 3.89Å; F195-W202 HydrophobicContact CD2-CE3 3.89Å; F195-W202 HydrophobicContact CD2-CG 4.2Å; F195-W202 HydrophobicContact CD2-CZ2 4.47Å; F195-W202 HydrophobicContact CD2-CZ3 4.27Å; F195-W202 HydrophobicContact CG-CE3 4.32Å; F195-W202 HydrophobicContact CG-CZ3 4.44Å; W202-E204 HydrophobicContact CB-CG 4Å; W202-E204 PolarHBondContact O-N 2.84Å; W202-L217 HydrophobicContact CB-CD1 3.94Å; W202-L217 HydrophobicContact CD2-CB 4.44Å; W202-L217 HydrophobicContact CD2-CD1 4.34Å; W202-L217 HydrophobicContact CD2-CD2 3.99Å; W202-L217 HydrophobicContact CD2-CG 4.48Å; W202-L217 HydrophobicContact CE3-CD2 4Å; W202-L217 HydrophobicContact CG-CB 4.37Å; W202-L217 HydrophobicContact CG-CD1 3.92Å; W202-L217 HydrophobicContact CG-CD2 4.43Å; W202-L217 HydrophobicContact CG-CG 4.47Å; W202-L217 HydrophobicContact CZ3-CD2 4.33Å; W202-P218 HydrophobicContact CZ2-CG 4.4Å; W202-P218 PolarHBondContact NE1-O 3.02Å; W202-C220 PolarHBondContact NE1-SG 2.78Å
203N96.5Very high95.8Very high11 Ų1145.3 Ų45.36%0.05928%0.279CS..  trans-75.555.5171.6-56.1147.3000110.6E134 F194 N205 I206 L207E134-N203 PolarHBondContact N-OD1 3.24Å; E134-N203 PolarHBondContact O-ND2 3.13Å; F194-N203 WeakPolarHBondContact CA-OD1 3.5Å; F194-N203 HydrophobicContact CB-CB 4.33Å; F194-N203 HydrophobicContact CD1-CB 4.48Å; F194-N203 PolarHBondContact O-N 3.05Å; F194-N203 PolarHBondContact O-OD1 2.92Å; N203-N205 VanDerWaalsContact C-N 3.28Å; N203-N205 PolarHBondContact O-N 3.48Å; N203-I206 HydrophobicContact CB-CB 4.17Å; N203-I206 HydrophobicContact CB-CD1 4.06Å; N203-I206 HydrophobicContact CB-CG1 4.3Å; N203-I206 WeakPolarHBondContact O-CB 3.47Å; N203-I206 PolarHBondContact O-N 3.01Å; N203-I206 VanDerWaalsContact O-N 3.08Å; N203-L207 WeakPolarHBondContact O-CG 3.32Å; N203-L207 PolarHBondContact O-N 3.07Å
204E96.8Very high96Very high82 Ų8247.3 Ų47.338%0.38329%0.291SS..Hα-helixtrans-56.8-38-170.6-75.2-167.4-152.500113.4W202 I206 L207 K208 L217W202-E204 HydrophobicContact CB-CG 4Å; W202-E204 PolarHBondContact O-N 2.84Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.33Å; E204-L207 PolarHBondContact O-N 3.23Å; E204-K208 VanDerWaalsContact O-CB 3.27Å; E204-K208 WeakPolarHBondContact O-CB 3.1Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.18Å; E204-K208 WeakPolarHBondContact OE2-CE 3.15Å; E204-K208 IonicContact OE2-NZ 3.15Å; E204-K208 PolarHBondContact OE2-NZ 3.04Å; E204-L217 HydrophobicContact CG-CD1 4.33Å
205N97Very high96Very high135 Ų13554 Ų5472%0.72232%0.316SS*.Hα-helixtrans-64.1-42179.7-67.5-24.9000111.5N203 A209N203-N205 VanDerWaalsContact C-N 3.28Å; N203-N205 PolarHBondContact O-N 3.48Å; N205-A209 WeakPolarHBondContact O-CB 3.2Å; N205-A209 PolarHBondContact O-N 2.76Å
206I96.9Very high96.1Very high36 Ų3654 Ų5419%0.18532%0.316CS..Hα-helixtrans-65.6-45.9176.8-59.7-178.3000109.9P131 E134 F194 N203 E204 A209 A210P131-I206 HydrophobicContact CB-CG2 3.65Å; P131-I206 HydrophobicContact CG-CG2 4.04Å; E134-I206 HydrophobicContact CB-CD1 4.17Å; E134-I206 HydrophobicContact CG-CD1 3.77Å; F194-I206 HydrophobicContact CD1-CG2 4.33Å; F194-I206 HydrophobicContact CE1-CG2 4.11Å; N203-I206 HydrophobicContact CB-CB 4.17Å; N203-I206 HydrophobicContact CB-CD1 4.06Å; N203-I206 HydrophobicContact CB-CG1 4.3Å; N203-I206 WeakPolarHBondContact O-CB 3.47Å; N203-I206 PolarHBondContact O-N 3.01Å; N203-I206 VanDerWaalsContact O-N 3.08Å; E204-I206 VanDerWaalsContact C-N 3.34Å; E204-I206 PolarHBondContact O-N 3.33Å; I206-A209 PolarHBondContact O-N 2.73Å; I206-A210 PolarHBondContact O-N 3.27Å
207L97.8Very high96.3Very high0 Ų053.2 Ų53.20%031%0.312CS..Hα-helixtrans-63.6-48179.5-70.7176.6000111.8F149 F194 N203 E204 A209 A210 G211 F212 V214 L217F149-L207 HydrophobicContact CE2-CD2 3.74Å; F149-L207 HydrophobicContact CZ-CD2 3.75Å; F194-L207 HydrophobicContact CB-CD1 3.92Å; F194-L207 HydrophobicContact CB-CD2 3.9Å; F194-L207 HydrophobicContact CB-CG 4.07Å; F194-L207 HydrophobicContact CD1-CD2 3.73Å; F194-L207 HydrophobicContact CD1-CG 4.21Å; F194-L207 HydrophobicContact CD2-CD2 3.98Å; F194-L207 HydrophobicContact CE1-CD2 4.23Å; F194-L207 HydrophobicContact CE2-CD2 4.43Å; F194-L207 HydrophobicContact CG-CD2 3.59Å; F194-L207 HydrophobicContact CG-CG 4.2Å; N203-L207 WeakPolarHBondContact O-CG 3.32Å; N203-L207 PolarHBondContact O-N 3.07Å; E204-L207 PolarHBondContact O-N 3.23Å; L207-A209 PolarHBondContact O-N 3.03Å; L207-A210 CarbonylContact O-C 3.02Å; L207-A210 PolarHBondContact O-N 3.23Å; L207-A210 VanDerWaalsContact O-N 3.13Å; L207-G211 PolarHBondContact O-N 3.1Å; L207-F212 HydrophobicContact CB-CB 3.84Å; L207-F212 HydrophobicContact CB-CD1 4.19Å; L207-F212 HydrophobicContact CB-CG 4.14Å; L207-F212 HydrophobicContact CD1-CD1 4.27Å; L207-F212 HydrophobicContact CD1-CE1 4.43Å; L207-F212 HydrophobicContact CD2-CB 4.11Å; L207-F212 HydrophobicContact CD2-CD1 4.26Å; L207-F212 HydrophobicContact CD2-CD2 3.94Å; L207-F212 HydrophobicContact CD2-CE2 4.36Å; L207-F212 HydrophobicContact CD2-CG 3.86Å; L207-F212 HydrophobicContact CG-CD1 4.48Å; L207-F212 HydrophobicContact CG-CG 4.44Å; L207-F212 WeakPolarHBondContact O-CB 3.31Å; L207-F212 PolarHBondContact O-N 3.16Å; L207-V214 HydrophobicContact CB-CG1 4.12Å; L207-L217 HydrophobicContact CD1-CD1 3.69Å; L207-L217 HydrophobicContact CD1-CD2 4.17Å
208K97.8Very high96.5Very high103 Ų10353 Ų5345%0.44831%0.311SS..Hα-helixtrans-59.5-44.2177-74.8169.5-172.1162.60111.7E204 A210 G211 V214E204-K208 VanDerWaalsContact O-CB 3.27Å; E204-K208 WeakPolarHBondContact O-CB 3.1Å; E204-K208 WeakPolarHBondContact O-CG 3.49Å; E204-K208 PolarHBondContact O-N 3.18Å; E204-K208 WeakPolarHBondContact OE2-CE 3.15Å; E204-K208 IonicContact OE2-NZ 3.15Å; E204-K208 PolarHBondContact OE2-NZ 3.04Å; K208-A210 PolarHBondContact O-N 2.79Å; K208-G211 PolarHBondContact O-N 3.02Å; K208-V214 HydrophobicContact CG-CG1 3.67Å; K208-V214 HydrophobicContact CG-CG2 4.18Å
209A97.9Very high96.9Very high94 Ų9456.4 Ų56.478%0.77731%0.309SS*.Hα-helixtrans-62.5-29.8177.900000112.7N205 I206 L207 G211N205-A209 WeakPolarHBondContact O-CB 3.2Å; N205-A209 PolarHBondContact O-N 2.76Å; I206-A209 PolarHBondContact O-N 2.73Å; L207-A209 PolarHBondContact O-N 3.03Å; A209-G211 VanDerWaalsContact C-N 3.29Å
210A97.5Very high97.1Very high43 Ų4355.4 Ų55.436%0.35530%0.301SS..THydrogen-bonded Turntrans-85.55.8174.300000114P131 F149 I206 L207 K208 F212P131-A210 HydrophobicContact CG-CB 3.88Å; F149-A210 HydrophobicContact CE1-CB 3.93Å; F149-A210 HydrophobicContact CZ-CB 4.05Å; I206-A210 PolarHBondContact O-N 3.27Å; L207-A210 CarbonylContact O-C 3.02Å; L207-A210 PolarHBondContact O-N 3.23Å; L207-A210 VanDerWaalsContact O-N 3.13Å; K208-A210 PolarHBondContact O-N 2.79Å; A210-F212 VanDerWaalsContact C-N 3.28Å; A210-F212 PolarHBondContact O-N 3.09Å
211G97.3Very high97.3Very high52 Ų5254 Ų5454%0.53629%0.29SS..THydrogen-bonded Turntrans75.511-179.100000114.7M152 L207 K208 A209M152-G211 VanDerWaalsContact CE-C 3.46Å; M152-G211 WeakPolarHBondContact CE-O 3.42Å; L207-G211 PolarHBondContact O-N 3.1Å; K208-G211 PolarHBondContact O-N 3.02Å; A209-G211 VanDerWaalsContact C-N 3.29Å
212F98.2Very high97.4Very high8 Ų852.2 Ų52.24%0.03529%0.29CS..  trans-62.8138.6-177.7-173-85.7000111.7C145 I148 F149 M152 L207 A210 V214 L217C145-F212 HydrophobicContact CB-CE2 4.24Å; C145-F212 HydrophobicContact CB-CZ 4.4Å; I148-F212 HydrophobicContact CB-CE2 3.59Å; I148-F212 HydrophobicContact CB-CZ 3.81Å; I148-F212 HydrophobicContact CD1-CE1 4.5Å; I148-F212 HydrophobicContact CD1-CE2 4.35Å; I148-F212 HydrophobicContact CD1-CZ 3.66Å; I148-F212 HydrophobicContact CG1-CZ 4.33Å; I148-F212 HydrophobicContact CG2-CD2 3.98Å; I148-F212 HydrophobicContact CG2-CE1 4.31Å; I148-F212 HydrophobicContact CG2-CE2 3.35Å; I148-F212 HydrophobicContact CG2-CZ 3.55Å; F149-F212 HydrophobicContact CD1-CD2 4.02Å; F149-F212 AromaticContact CD2-CD2 3.94Å; F149-F212 HydrophobicContact CD2-CD2 3.94Å; F149-F212 HydrophobicContact CD2-CE2 4.12Å; F149-F212 HydrophobicContact CE1-CB 4.02Å; F149-F212 AromaticContact CE1-CD2 3.74Å; F149-F212 HydrophobicContact CE1-CD2 3.74Å; F149-F212 HydrophobicContact CE1-CG 4.38Å; F149-F212 AromaticContact CE2-CD2 3.64Å; F149-F212 HydrophobicContact CE2-CD2 3.64Å; F149-F212 HydrophobicContact CE2-CE2 4.08Å; F149-F212 HydrophobicContact CG-CD2 4.11Å; F149-F212 HydrophobicContact CG-CE2 4.48Å; F149-F212 HydrophobicContact CZ-CB 4Å; F149-F212 AromaticContact CZ-CD2 3.54Å; F149-F212 HydrophobicContact CZ-CD2 3.54Å; F149-F212 HydrophobicContact CZ-CE2 4.42Å; F149-F212 HydrophobicContact CZ-CG 4.18Å; M152-F212 HydrophobicContact SD-CB 4.49Å; M152-F212 HydrophobicContact SD-CD2 4.18Å; L207-F212 HydrophobicContact CB-CB 3.84Å; L207-F212 HydrophobicContact CB-CD1 4.19Å; L207-F212 HydrophobicContact CB-CG 4.14Å; L207-F212 HydrophobicContact CD1-CD1 4.27Å; L207-F212 HydrophobicContact CD1-CE1 4.43Å; L207-F212 HydrophobicContact CD2-CB 4.11Å; L207-F212 HydrophobicContact CD2-CD1 4.26Å; L207-F212 HydrophobicContact CD2-CD2 3.94Å; L207-F212 HydrophobicContact CD2-CE2 4.36Å; L207-F212 HydrophobicContact CD2-CG 3.86Å; L207-F212 HydrophobicContact CG-CD1 4.48Å; L207-F212 HydrophobicContact CG-CG 4.44Å; L207-F212 WeakPolarHBondContact O-CB 3.31Å; L207-F212 PolarHBondContact O-N 3.16Å; A210-F212 VanDerWaalsContact C-N 3.28Å; A210-F212 PolarHBondContact O-N 3.09Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 HydrophobicContact CD1-CG1 4.29Å; F212-V214 PolarHBondContact O-N 3.06Å; F212-L217 HydrophobicContact CE1-CD1 4.46Å; F212-L217 HydrophobicContact CE1-CD2 3.66Å; F212-L217 HydrophobicContact CE1-CG 3.92Å; F212-L217 HydrophobicContact CZ-CD2 4.1Å
213P97.1Very high97.2Very high17 Ų1752.1 Ų52.111%0.1129%0.292CS..  trans-74.979.3178.733-38.3000110.9I148 M152 L159 R215 L216I148-P213 HydrophobicContact CG2-CG 3.7Å; M152-P213 WeakPolarHBondContact SD-CD 3.35Å; M152-P213 HydrophobicContact SD-CG 4.36Å; L159-P213 HydrophobicContact CD1-CG 4.41Å; P213-R215 PolarHBondContact O-N 3.46Å; P213-L216 HydrophobicContact CB-CD1 4.2Å; P213-L216 HydrophobicContact CB-CG 4.4Å; P213-L216 HydrophobicContact CG-CD1 3.8Å; P213-L216 HydrophobicContact CG-CG 4.4Å; P213-L216 WeakPolarHBondContact O-CB 3.41Å; P213-L216 PolarHBondContact O-N 3.09Å
214V97.3Very high96.9Very high43 Ų4352.2 Ų52.226%0.26130%0.296SS..G310 helixtrans-56.5-18.5-177.9-66.50000114.6L207 K208 F212 L216 L217L207-V214 HydrophobicContact CB-CG1 4.12Å; K208-V214 HydrophobicContact CG-CG1 3.67Å; K208-V214 HydrophobicContact CG-CG2 4.18Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 HydrophobicContact CD1-CG1 4.29Å; F212-V214 PolarHBondContact O-N 3.06Å; V214-L216 PolarHBondContact O-N 3.27Å; V214-L217 HydrophobicContact CB-CD1 4.06Å; V214-L217 HydrophobicContact CG1-CD1 4.03Å; V214-L217 WeakPolarHBondContact O-CB 3.48Å; V214-L217 PolarHBondContact O-N 3.39Å
215R96.1Very high96.9Very high139 Ų13949.5 Ų49.553%0.52529%0.288SS..G310 helixtrans-57.4-26.2171.175.5178.9-171.5-89.31113.5L159 P213 L217L159-R215 PolarHBondContact O-NH2 3.39Å; P213-R215 PolarHBondContact O-N 3.46Å; R215-L217 VanDerWaalsContact C-N 3.32Å
216L97.9Very high96.9Very high1 Ų146.7 Ų46.71%0.00527%0.272CS..G310 helixtrans-85.6-4179.8-65.5178.8000112.5F91 I148 L159 A165 P213 V214 P218F91-L216 HydrophobicContact CD1-CD1 4.41Å; F91-L216 HydrophobicContact CE1-CD1 4.13Å; I148-L216 HydrophobicContact CD1-CB 4.39Å; L159-L216 HydrophobicContact CD2-CD1 4.07Å; A165-L216 HydrophobicContact CB-CB 4.21Å; A165-L216 HydrophobicContact CB-CD2 4.44Å; P213-L216 HydrophobicContact CB-CD1 4.2Å; P213-L216 HydrophobicContact CB-CG 4.4Å; P213-L216 HydrophobicContact CG-CD1 3.8Å; P213-L216 HydrophobicContact CG-CG 4.4Å; P213-L216 WeakPolarHBondContact O-CB 3.41Å; P213-L216 PolarHBondContact O-N 3.09Å; V214-L216 PolarHBondContact O-N 3.27Å; L216-P218 WeakPolarHBondContact O-CD 3.08Å
217L98.3Very high96.9Very high22 Ų2246.1 Ų46.112%0.11527%0.27CS..SBendtrans-75.9126.4175.9-64.4173.3000110W202 E204 L207 F212 V214 R215W202-L217 HydrophobicContact CB-CD1 3.94Å; W202-L217 HydrophobicContact CD2-CB 4.44Å; W202-L217 HydrophobicContact CD2-CD1 4.34Å; W202-L217 HydrophobicContact CD2-CD2 3.99Å; W202-L217 HydrophobicContact CD2-CG 4.48Å; W202-L217 HydrophobicContact CE3-CD2 4Å; W202-L217 HydrophobicContact CG-CB 4.37Å; W202-L217 HydrophobicContact CG-CD1 3.92Å; W202-L217 HydrophobicContact CG-CD2 4.43Å; W202-L217 HydrophobicContact CG-CG 4.47Å; W202-L217 HydrophobicContact CZ3-CD2 4.33Å; E204-L217 HydrophobicContact CG-CD1 4.33Å; L207-L217 HydrophobicContact CD1-CD1 3.69Å; L207-L217 HydrophobicContact CD1-CD2 4.17Å; F212-L217 HydrophobicContact CE1-CD1 4.46Å; F212-L217 HydrophobicContact CE1-CD2 3.66Å; F212-L217 HydrophobicContact CE1-CG 3.92Å; F212-L217 HydrophobicContact CZ-CD2 4.1Å; V214-L217 HydrophobicContact CB-CD1 4.06Å; V214-L217 HydrophobicContact CG1-CD1 4.03Å; V214-L217 WeakPolarHBondContact O-CB 3.48Å; V214-L217 PolarHBondContact O-N 3.39Å; R215-L217 VanDerWaalsContact C-N 3.32Å
218P98.2Very high96.9Very high4 Ų447.3 Ų47.33%0.02628%0.283CS..PPolyproline II helixtrans-58.9149.6172.9-25.732.9000112.6A165 C182 M184 W192 W202 L216 C220A165-P218 WeakPolarHBondContact O-CG 3.25Å; C182-P218 HydrophobicContact CB-CB 4.05Å; C182-P218 HydrophobicContact CB-CG 4.22Å; C182-P218 WeakPolarHBondContact O-CA 3.33Å; M184-P218 HydrophobicContact CB-CB 3.46Å; M184-P218 VanDerWaalsContact CB-CB 3.46Å; M184-P218 HydrophobicContact CB-CG 4.11Å; M184-P218 HydrophobicContact CE-CB 4.28Å; M184-P218 HydrophobicContact CE-CG 3.57Å; M184-P218 HydrophobicContact CG-CB 4.44Å; M184-P218 HydrophobicContact SD-CB 4.24Å; M184-P218 HydrophobicContact SD-CG 3.94Å; W192-P218 HydrophobicContact CE3-CG 4.39Å; W192-P218 HydrophobicContact CH2-CG 4.01Å; W192-P218 HydrophobicContact CZ3-CG 3.8Å; W202-P218 HydrophobicContact CZ2-CG 4.4Å; W202-P218 PolarHBondContact NE1-O 3.02Å; L216-P218 WeakPolarHBondContact O-CD 3.08Å; P218-C220 PolarHBondContact O-N 2.86Å
219R97.8Very high96.9Very high141 Ų14147.9 Ų47.953%0.53229%0.287SS..EExtended strand (participates in β ladder)trans-75.5118.2169.1-175.5175.363.684.2-1.2109.5C182 V183 M184 V221C182-R219 PolarHBondContact O-N 2.9Å; V183-R219 WeakPolarHBondContact CA-O 3.32Å; M184-R219 PolarHBondContact N-O 2.92Å; R219-V221 VanDerWaalsContact NH1-CG1 3.27Å
220C97.6Very high96.9Very high36 Ų3643.6 Ų43.624%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-76.9136.4179.8-67.40000112.5M184 F195 W202 P218M184-C220 CarbonylContact O-C 3.6Å; M184-C220 WeakPolarHBondContact O-CA 3.46Å; F195-C220 HydrophobicContact CE2-CB 4.1Å; F195-C220 WeakPolarHBondContact CE2-SG 3.39Å; F195-C220 HydrophobicContact CZ-CB 4.44Å; W202-C220 PolarHBondContact NE1-SG 2.78Å; P218-C220 PolarHBondContact O-N 2.86Å
221V97.2Very high96.7Very high16 Ų1648 Ų4810%0.09726%0.264CS..  trans-132.6154.2173.2-62.30000110.6V183 M184 T185 P186 R219 A225 V227 A245V183-V221 HydrophobicContact CG1-CB 4.08Å; V183-V221 HydrophobicContact CG1-CG1 3.64Å; V183-V221 HydrophobicContact CG1-CG2 3.29Å; M184-V221 PolarHBondContact O-N 2.76Å; T185-V221 WeakPolarHBondContact CA-O 3.16Å; P186-V221 WeakPolarHBondContact CD-O 3.39Å; R219-V221 VanDerWaalsContact NH1-CG1 3.27Å; V221-A225 HydrophobicContact CG2-CB 4.42Å; V221-V227 HydrophobicContact CG2-CG1 4.02Å; V221-A245 HydrophobicContact CG2-CB 3.64Å
222P95.9Very high96.6Very high91 Ų9147 Ų4759%0.59125%0.249SC*.  trans-57.1144.2177.5-25.335.1000112.7G224 A225P222-G224 PolarHBondContact O-N 2.85Å; P222-A225 WeakPolarHBondContact O-CB 3.4Å; P222-A225 PolarHBondContact O-N 3.36Å
223P94.8Very high96.4Very high20 Ų2050.5 Ų50.513%0.1327%0.268CS..THydrogen-bonded Turntrans-63.5137.1172.229.4-33.2000109.9T185 Q187 L247 Y299 F300T185-P223 HydrophobicContact CG2-CB 4.32Å; Q187-P223 HydrophobicContact CG-CB 4.43Å; P223-L247 HydrophobicContact CB-CD2 3.92Å; P223-Y299 WeakPolarHBondContact CG-O 3.07Å; P223-F300 HydrophobicContact CB-CD1 3.85Å; P223-F300 HydrophobicContact CB-CE1 4.01Å; P223-F300 HydrophobicContact CG-CD1 4.09Å
224G90.6Very high96.3Very high13 Ų1349.7 Ų49.713%0.13426%0.263CS..THydrogen-bonded Turntrans84.212.4-173.100000114.6P222 L462P222-G224 PolarHBondContact O-N 2.85Å; G224-L462 WeakPolarHBondContact O-CD1 3.46Å; G224-L462 WeakPolarHBondContact O-CD2 3.46Å; G224-L462 WeakPolarHBondContact O-CG 3.26Å
225A95.6Very high96.2Very high26 Ų2649.2 Ų49.222%0.21526%0.258CS..  trans-81.8145.2168.100000111.7V221 P222 G244 A245V221-A225 HydrophobicContact CG2-CB 4.42Å; P222-A225 WeakPolarHBondContact O-CB 3.4Å; P222-A225 PolarHBondContact O-N 3.36Å; A225-G244 CarbonylContact O-C 3.48Å; A225-G244 WeakPolarHBondContact O-CA 3.33Å; A225-A245 PolarHBondContact O-N 3.39Å
226L97.3Very high96.1Very high76 Ų7643.9 Ų43.940%0.39825%0.247SC..EExtended strand (participates in β ladder)trans-79.1133.3162-69.4173.7000109.3P242 L462L226-P242 HydrophobicContact CD1-CB 4.07Å; L226-P242 HydrophobicContact CD2-CB 3.73Å; L226-L462 HydrophobicContact CD1-CD2 4.35Å; L226-L462 HydrophobicContact CD2-CD1 3.66Å; L226-L462 HydrophobicContact CG-CD1 3.83Å; L226-L462 HydrophobicContact CG-CD2 3.83Å; L226-L462 HydrophobicContact CG-CG 4.37Å
227V97.5Very high96.1Very high23 Ų2343.9 Ų43.914%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-114.6-10.3-174.3-62.80000113.6V173 V183 V221 V243 A245V173-V227 HydrophobicContact CG1-CG2 3.48Å; V173-V227 VanDerWaalsContact CG1-CG2 3.48Å; V183-V227 HydrophobicContact CB-CG1 4.46Å; V183-V227 HydrophobicContact CG1-CB 4.38Å; V183-V227 HydrophobicContact CG1-CG1 3.68Å; V221-V227 HydrophobicContact CG2-CG1 4.02Å; V227-V243 PolarHBondContact N-O 2.9Å; V227-A245 HydrophobicContact CG1-CB 3.53Å
228G97.3Very high95.9Very high26 Ų2645.2 Ų45.227%0.26826%0.256SS..EExtended strand (participates in β ladder)trans172.2-163.8178.900000111.3V243G228-V243 PolarHBondContact O-N 3.29Å
229Q98.2Very high95.7Very high114 Ų11447.3 Ų47.353%0.53327%0.274SS..EExtended strand (participates in β ladder)trans-135.1154.4175.8-67.21754.600108.6C177 H231 G240 T241C177-Q229 WeakPolarHBondContact CA-O 3.44Å; Q229-H231 PolarHBondContact O-N 3.25Å; Q229-G240 WeakPolarHBondContact CG-O 3.46Å; Q229-G240 PolarHBondContact OE1-O 3.36Å; Q229-T241 CarbonylContact C-O 3.48Å; Q229-T241 VanDerWaalsContact CA-O 3.24Å; Q229-T241 WeakPolarHBondContact CA-O 3.4Å
230T97.3Very high95.7Very high4 Ų442.2 Ų42.23%0.02527%0.266CS..  trans-55.2123.9173.951.20000110.5L176 P238 A239 G240 T241 V243L176-T230 CarbonylContact O-C 3.58Å; L176-T230 VanDerWaalsContact O-CA 3.31Å; L176-T230 WeakPolarHBondContact O-CA 3.22Å; T230-P238 PolarHBondContact OG1-O 3.41Å; T230-A239 WeakPolarHBondContact OG1-CA 3.34Å; T230-G240 PolarHBondContact O-N 3.34Å; T230-G240 PolarHBondContact OG1-N 3.31Å; T230-T241 PolarHBondContact N-O 2.9Å; T230-T241 WeakPolarHBondContact OG1-CB 3.27Å; T230-T241 PolarHBondContact OG1-N 3.09Å; T230-V243 HydrophobicContact CG2-CG2 3.97Å
231H94Very high95.7Very high135 Ų13540.9 Ų40.963%0.62526%0.256SS*.SBendtrans-72.3-32.8-179.3176.5-81.6000112.2L176 Q229L176-H231 PolarHBondContact O-N 3.49Å; Q229-H231 PolarHBondContact O-N 3.25Å
232S93.4Very high95.8Very high33 Ų3341.7 Ų41.723%0.23126%0.262CS..SBendtrans-132.4164.1-177.6-56.50000110.1
233D94.4Very high95.9Very high81 Ų8137.4 Ų37.443%0.43323%0.234SC..  trans-60.1141.4168.5-72.5-3.9000110I237 A239D233-I237 WeakPolarHBondContact CA-O 3.19Å; D233-A239 PolarHBondContact OD1-N 3.1Å
234W95.8Very high96.1Very high0 Ų036.5 Ų36.50%023%0.228CC..BIsolated β-bridgetrans-138.7103.7-174.8-175.142.5000111.1L9 I11 V62 L66 V80 W100 N104 L176 G236 I237L9-W234 HydrophobicContact CD2-CZ3 4.17Å; I11-W234 HydrophobicContact CD1-CH2 3.38Å; I11-W234 HydrophobicContact CD1-CZ2 4.39Å; I11-W234 HydrophobicContact CD1-CZ3 3.87Å; V62-W234 HydrophobicContact CG1-CH2 4.33Å; V62-W234 HydrophobicContact CG1-CZ2 3.78Å; L66-W234 HydrophobicContact CD1-CD2 3.95Å; L66-W234 VanDerWaalsContact CD1-CE2 3.43Å; L66-W234 HydrophobicContact CD1-CE3 4.19Å; L66-W234 HydrophobicContact CD1-CH2 3.58Å; L66-W234 HydrophobicContact CD1-CZ2 3.26Å; L66-W234 HydrophobicContact CD1-CZ3 4Å; V80-W234 HydrophobicContact CG1-CZ3 4Å; W100-W234 HydrophobicContact CH2-CB 4.35Å; W100-W234 HydrophobicContact CH2-CG 4.25Å; N104-W234 CarbonylContact O-C 3.5Å; N104-W234 WeakPolarHBondContact O-CA 3.4Å; L176-W234 HydrophobicContact CD1-CE3 4.07Å; L176-W234 HydrophobicContact CD1-CH2 3.76Å; L176-W234 HydrophobicContact CD1-CZ2 4.47Å; L176-W234 HydrophobicContact CD1-CZ3 3.56Å; L176-W234 HydrophobicContact CD2-CD2 3.56Å; L176-W234 HydrophobicContact CD2-CE3 3.62Å; L176-W234 HydrophobicContact CD2-CG 4.07Å; L176-W234 HydrophobicContact CD2-CH2 4.04Å; L176-W234 HydrophobicContact CD2-CZ2 4.01Å; L176-W234 HydrophobicContact CD2-CZ3 3.89Å; L176-W234 HydrophobicContact CG-CH2 4.46Å; L176-W234 HydrophobicContact CG-CZ3 4.38Å; W234-G236 PolarHBondContact O-N 2.84Å; W234-G236 VanDerWaalsContact O-N 3.15Å; W234-I237 HydrophobicContact CD2-CD1 4.29Å; W234-I237 HydrophobicContact CE3-CD1 3.61Å; W234-I237 HydrophobicContact CZ3-CD1 4.19Å; W234-I237 PolarHBondContact N-O 2.91Å; W234-I237 WeakPolarHBondContact O-CB 3.25Å; W234-I237 WeakPolarHBondContact O-CD1 3.4Å; W234-I237 WeakPolarHBondContact O-CG1 3.46Å; W234-I237 PolarHBondContact O-N 3.23Å
235H95.5Very high96.4Very high32 Ų3236 Ų3615%0.14822%0.223CC..THydrogen-bonded Turntrans50.834.1-172.7-65.6-84.3000113.7N63 L66 L74 N104 I237N63-H235 PolarHBondContact O-CE1 2.57Å; N63-H235 PolarHBondContact OD1-NE2 3.43Å; L66-H235 HydrophobicContact CB-CB 4.05Å; L74-H235 HydrophobicContact CD1-CB 4.46Å; L74-H235 WeakPolarHBondContact CD1-O 3.48Å; N104-H235 PolarHBondContact O-N 3.09Å; H235-I237 VanDerWaalsContact C-N 3.32Å
236G93.9Very high96.6Very high28 Ų2834.7 Ų34.729%0.28921%0.212SC..THydrogen-bonded Turntrans84.4-1-176.900000115Q75 W234Q75-G236 WeakPolarHBondContact CA-O 3.37Å; Q75-G236 WeakPolarHBondContact CG-O 3.34Å; W234-G236 PolarHBondContact O-N 2.84Å; W234-G236 VanDerWaalsContact O-N 3.15Å
237I96.5Very high96.6Very high0 Ų031.1 Ų31.10%019%0.193CC..BIsolated β-bridgetrans-69.8125.8164.3-57.7160.5000107.4L9 L74 V77 V80 D233 W234 H235 T241L9-I237 HydrophobicContact CD2-CD1 3.35Å; L74-I237 HydrophobicContact CB-CG1 4.24Å; L74-I237 HydrophobicContact CD2-CD1 4.18Å; L74-I237 HydrophobicContact CD2-CG1 4Å; V77-I237 HydrophobicContact CB-CG1 4.42Å; V77-I237 HydrophobicContact CB-CG2 4.2Å; V77-I237 HydrophobicContact CG1-CG2 4.22Å; V77-I237 HydrophobicContact CG2-CG1 4.39Å; V80-I237 HydrophobicContact CG2-CG2 4.47Å; D233-I237 WeakPolarHBondContact CA-O 3.19Å; W234-I237 HydrophobicContact CD2-CD1 4.29Å; W234-I237 HydrophobicContact CE3-CD1 3.61Å; W234-I237 HydrophobicContact CZ3-CD1 4.19Å; W234-I237 PolarHBondContact N-O 2.91Å; W234-I237 WeakPolarHBondContact O-CB 3.25Å; W234-I237 WeakPolarHBondContact O-CD1 3.4Å; W234-I237 WeakPolarHBondContact O-CG1 3.46Å; W234-I237 PolarHBondContact O-N 3.23Å; H235-I237 VanDerWaalsContact C-N 3.32Å; I237-T241 HydrophobicContact CG2-CG2 4.05Å
238P94.1Very high96.6Very high50 Ų5030 Ų3033%0.32519%0.187SC..PPolyproline II helixtrans-63.2143.9-176.3-22.833.6000113T230 T241T230-P238 PolarHBondContact OG1-O 3.41Å; P238-T241 WeakPolarHBondContact O-CB 3.45Å; P238-T241 PolarHBondContact O-N 3.39Å; P238-T241 PolarHBondContact O-OG1 2.83Å
239A95.8Very high96.6Very high48 Ų4830.8 Ų30.840%0.39719%0.185SC..THydrogen-bonded Turntrans-53.6146.7160.700000110.6T230 D233 T241T230-A239 WeakPolarHBondContact OG1-CA 3.34Å; D233-A239 PolarHBondContact OD1-N 3.1Å; A239-T241 VanDerWaalsContact C-N 3.33Å
240G97.5Very high96.4Very high35 Ų3526.4 Ų26.436%0.36116%0.164SC..THydrogen-bonded Turntrans84.22.1-174.900000114.4Q229 T230 P242Q229-G240 WeakPolarHBondContact CG-O 3.46Å; Q229-G240 PolarHBondContact OE1-O 3.36Å; T230-G240 PolarHBondContact O-N 3.34Å; T230-G240 PolarHBondContact OG1-N 3.31Å; G240-P242 WeakPolarHBondContact O-CD 3.18Å
241T97.9Very high96.4Very high8 Ų826.2 Ų26.25%0.04916%0.163CC..  trans-69.4122.4177.2-62.20000110.1V77 V80 Q229 T230 I237 P238 A239V77-T241 HydrophobicContact CG1-CG2 4.09Å; V80-T241 HydrophobicContact CG2-CG2 3.96Å; Q229-T241 CarbonylContact C-O 3.48Å; Q229-T241 VanDerWaalsContact CA-O 3.24Å; Q229-T241 WeakPolarHBondContact CA-O 3.4Å; T230-T241 PolarHBondContact N-O 2.9Å; T230-T241 WeakPolarHBondContact OG1-CB 3.27Å; T230-T241 PolarHBondContact OG1-N 3.09Å; I237-T241 HydrophobicContact CG2-CG2 4.05Å; P238-T241 WeakPolarHBondContact O-CB 3.45Å; P238-T241 PolarHBondContact O-N 3.39Å; P238-T241 PolarHBondContact O-OG1 2.83Å; A239-T241 VanDerWaalsContact C-N 3.33Å
242P98.2Very high96.5Very high33 Ų3319.8 Ų19.821%0.21413%0.133CC..EExtended strand (participates in β ladder)trans-54.9136.7178.1-26.832.9000114.3S78 R79 V80 L226 G240S78-P242 WeakPolarHBondContact O-CD 3.15Å; R79-P242 CarbonylContact C-O 3.57Å; R79-P242 WeakPolarHBondContact CA-O 3.47Å; V80-P242 PolarHBondContact N-O 3.47Å; L226-P242 HydrophobicContact CD1-CB 4.07Å; L226-P242 HydrophobicContact CD2-CB 3.73Å; G240-P242 WeakPolarHBondContact O-CD 3.18Å
243V98.6Very high96.6Very high0 Ų019 Ų190%013%0.127CC..EExtended strand (participates in β ladder)trans-119128.7178.4-174.10000109.9V80 L82 V173 C177 V227 G228 T230V80-V243 HydrophobicContact CB-CG2 4.33Å; V80-V243 WeakPolarHBondContact O-CA 3.32Å; L82-V243 HydrophobicContact CD1-CG1 4.02Å; V173-V243 HydrophobicContact CG1-CG1 4.35Å; V173-V243 HydrophobicContact CG2-CG1 4.23Å; C177-V243 VanDerWaalsContact SG-CB 3.52Å; V227-V243 PolarHBondContact N-O 2.9Å; G228-V243 PolarHBondContact O-N 3.29Å; T230-V243 HydrophobicContact CG2-CG2 3.97Å
244G98.3Very high96.6Very high1 Ų115.3 Ų15.31%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-77.7153.6174.700000112.7V80 A225V80-G244 PolarHBondContact O-N 3.46Å; A225-G244 CarbonylContact O-C 3.48Å; A225-G244 WeakPolarHBondContact O-CA 3.33Å
245A98.1Very high96.5Very high2 Ų216.8 Ų16.82%0.01711%0.114CC..PPolyproline II helixtrans-56.1140167.200000110.1T185 V221 A225 V227 L247T185-A245 HydrophobicContact CG2-CB 3.54Å; V221-A245 HydrophobicContact CG2-CB 3.64Å; A225-A245 PolarHBondContact O-N 3.39Å; V227-A245 HydrophobicContact CG1-CB 3.53Å; A245-L247 PolarHBondContact O-N 3.46Å
246A98.2Very high96.4Very high0 Ų016 Ų160%011%0.112CC..PPolyproline II helixtrans-65.5135.8-178.300000110.9L82 Q169 D170 V173 T185 N188L82-A246 WeakPolarHBondContact O-CA 3.25Å; Q169-A246 HydrophobicContact CB-CB 3.93Å; Q169-A246 HydrophobicContact CG-CB 3.51Å; D170-A246 VanDerWaalsContact OD1-CB 3.3Å; D170-A246 WeakPolarHBondContact OD1-CB 3.35Å; V173-A246 HydrophobicContact CG2-CB 3.88Å; T185-A246 WeakPolarHBondContact CG2-O 3.13Å; T185-A246 PolarHBondContact OG1-O 3.22Å; N188-A246 PolarHBondContact ND2-O 2.97Å
247L98.3Very high96.3Very high0 Ų014.7 Ų14.70%010%0.099CC..EExtended strand (participates in β ladder)trans-101.6164.9-179.1-58-169.3000110.9L82 T83 T185 P223 A245 C252 F300 V454 A457L82-L247 PolarHBondContact O-N 3.11Å; T83-L247 WeakPolarHBondContact CA-O 3.38Å; T83-L247 PolarHBondContact OG1-O 3.32Å; T185-L247 HydrophobicContact CG2-CD2 4.02Å; P223-L247 HydrophobicContact CB-CD2 3.92Å; A245-L247 PolarHBondContact O-N 3.46Å; L247-C252 WeakPolarHBondContact CB-SG 3.33Å; L247-F300 HydrophobicContact CD1-CE1 3.96Å; L247-F300 HydrophobicContact CD1-CZ 3.73Å; L247-V454 HydrophobicContact CB-CG2 4.49Å; L247-V454 HydrophobicContact CD1-CG2 3.98Å; L247-V454 HydrophobicContact CG-CG2 4.21Å; L247-A457 HydrophobicContact CD1-CB 4.04Å
248G97.6Very high96Very high0 Ų016 Ų160%011%0.105CC..EExtended strand (participates in β ladder)trans-79.6137.5171.800000111.5T83 N188 F250 Q251 C252T83-G248 VanDerWaalsContact OG1-C 3.22Å; T83-G248 PolarHBondContact OG1-O 3.11Å; N188-G248 WeakPolarHBondContact OD1-CA 3.24Å; G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 3.38Å; G248-Q251 PolarHBondContact O-N 3.1Å; G248-C252 PolarHBondContact O-N 2.95Å; G248-C252 PolarHBondContact O-SG 3.14Å; G248-C252 VanDerWaalsContact O-SG 3.41Å
249D96.3Very high95.6Very high43 Ų4317.7 Ų17.723%0.2312%0.118CC..Hα-helixtrans-58.5-41.8179.660.5-3.4000112.6T83 G84 M86 Q251 C252 S253 S450T83-D249 WeakPolarHBondContact OG1-CA 3.44Å; T83-D249 PolarHBondContact OG1-N 3.38Å; T83-D249 VanDerWaalsContact OG1-N 3.1Å; G84-D249 VanDerWaalsContact O-CB 3.31Å; G84-D249 WeakPolarHBondContact O-CB 3.47Å; G84-D249 VanDerWaalsContact O-CG 3.25Å; G84-D249 PolarHBondContact O-N 3.2Å; M86-D249 VanDerWaalsContact CG-OD1 3.32Å; M86-D249 WeakPolarHBondContact CG-OD1 3.43Å; D249-Q251 PolarHBondContact O-N 3.5Å; D249-C252 PolarHBondContact O-N 3.06Å; D249-S253 WeakPolarHBondContact O-CB 3.13Å; D249-S253 PolarHBondContact O-N 2.89Å; D249-S450 PolarHBondContact O-OG 2.83Å; D249-S450 VanDerWaalsContact O-OG 3.09Å
250F95.1Very high95.4Very high22 Ų2217.6 Ų17.610%0.09611%0.114CC..Hα-helixtrans-57-50.3175.9170.7-118.2000112M86 G248 C252 S253 V254 T275 F297 L305 V307M86-F250 HydrophobicContact SD-CB 3.94Å; G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 3.38Å; F250-C252 PolarHBondContact O-N 3.04Å; F250-S253 WeakPolarHBondContact O-CB 3.44Å; F250-S253 PolarHBondContact O-N 3.14Å; F250-V254 HydrophobicContact CD2-CG2 4.2Å; F250-V254 HydrophobicContact CE2-CG2 3.79Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.45Å; F250-V254 PolarHBondContact O-N 2.79Å; F250-T275 HydrophobicContact CE2-CG2 4.21Å; F250-T275 WeakPolarHBondContact CE2-OG1 3.36Å; F250-T275 HydrophobicContact CZ-CG2 3.59Å; F250-T275 WeakPolarHBondContact CZ-OG1 3.49Å; F250-F297 HydrophobicContact CD1-CB 4.32Å; F250-F297 HydrophobicContact CD1-CD2 4.49Å; F250-F297 HydrophobicContact CD1-CG 4.31Å; F250-F297 HydrophobicContact CE1-CB 4.1Å; F250-F297 HydrophobicContact CE1-CD2 4.12Å; F250-F297 HydrophobicContact CE1-CG 4.22Å; F250-L305 HydrophobicContact CD1-CD1 4.35Å; F250-L305 HydrophobicContact CE1-CB 4.1Å; F250-L305 HydrophobicContact CE1-CD1 3.74Å; F250-L305 HydrophobicContact CZ-CB 4.43Å; F250-L305 HydrophobicContact CZ-CD1 4.08Å; F250-V307 HydrophobicContact CE1-CB 4.38Å; F250-V307 HydrophobicContact CE1-CG1 4.47Å; F250-V307 HydrophobicContact CE2-CG2 3.99Å; F250-V307 HydrophobicContact CZ-CB 3.75Å; F250-V307 HydrophobicContact CZ-CG1 4.27Å; F250-V307 HydrophobicContact CZ-CG2 3.72Å
251Q96.8Very high94.9Very high0 Ų021.2 Ų21.20%013%0.131CC..Hα-helixtrans-64.4-42.7-179.6-69.885-15.300111.5M86 Q187 G248 D249 V254 Y255 P298 Y299 L305M86-Q251 PolarHBondContact SD-OE1 3Å; Q187-Q251 HydrophobicContact CB-CG 4.37Å; Q187-Q251 HydrophobicContact CG-CG 3.95Å; G248-Q251 PolarHBondContact O-N 3.1Å; D249-Q251 PolarHBondContact O-N 3.5Å; Q251-V254 PolarHBondContact O-N 3.47Å; Q251-Y255 WeakPolarHBondContact O-CB 3.33Å; Q251-Y255 PolarHBondContact O-N 3.32Å; Q251-P298 WeakPolarHBondContact CG-O 3.41Å; Q251-P298 PolarHBondContact NE2-O 3.25Å; Q251-Y299 HydrophobicContact CB-CD2 3.97Å; Q251-Y299 HydrophobicContact CB-CE2 4.11Å; Q251-Y299 HydrophobicContact CG-CD2 3.87Å; Q251-Y299 HydrophobicContact CG-CE2 4.47Å; Q251-L305 HydrophobicContact CG-CD1 4.21Å
252C96.6Very high94.7Very high0 Ų021.9 Ų21.90%014%0.138CC..Hα-helixtrans-64.8-44.2177.2-70.50000111.9T83 L247 G248 D249 F250 V254 Y255 S256 S450 G453T83-C252 HydrophobicContact CG2-CB 4.32Å; L247-C252 WeakPolarHBondContact CB-SG 3.33Å; G248-C252 PolarHBondContact O-N 2.95Å; G248-C252 PolarHBondContact O-SG 3.14Å; G248-C252 VanDerWaalsContact O-SG 3.41Å; D249-C252 PolarHBondContact O-N 3.06Å; F250-C252 PolarHBondContact O-N 3.04Å; C252-V254 VanDerWaalsContact C-N 3.31Å; C252-V254 PolarHBondContact O-N 3.49Å; C252-Y255 WeakPolarHBondContact O-CB 3.34Å; C252-Y255 PolarHBondContact O-N 2.83Å; C252-Y255 VanDerWaalsContact O-N 3.14Å; C252-S256 PolarHBondContact O-N 3.34Å; C252-S450 WeakPolarHBondContact CB-O 3.47Å; C252-G453 VanDerWaalsContact O-CA 3.28Å; C252-G453 WeakPolarHBondContact O-CA 3.42Å
253S94.8Very high94.6Very high15 Ų1520.5 Ų20.511%0.10513%0.129CC..Hα-helixtrans-55.3-47.5175.6-179.30000111.1D249 F250 S256 A448D249-S253 WeakPolarHBondContact O-CB 3.13Å; D249-S253 PolarHBondContact O-N 2.89Å; F250-S253 WeakPolarHBondContact O-CB 3.44Å; F250-S253 PolarHBondContact O-N 3.14Å; S253-S256 PolarHBondContact O-N 3.2Å; S253-S256 PolarHBondContact O-OG 3.25Å; S253-A448 WeakPolarHBondContact OG-CB 3.37Å
254V94.8Very high94.5Very high5 Ų520.5 Ų20.53%0.0313%0.129CC..Hα-helixtrans-64.1-43.8175.1172.80000111.7F250 Q251 C252 S256 C257 M258 V265 T275 L305F250-V254 HydrophobicContact CD2-CG2 4.2Å; F250-V254 HydrophobicContact CE2-CG2 3.79Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.45Å; F250-V254 PolarHBondContact O-N 2.79Å; Q251-V254 PolarHBondContact O-N 3.47Å; C252-V254 VanDerWaalsContact C-N 3.31Å; C252-V254 PolarHBondContact O-N 3.49Å; V254-S256 PolarHBondContact O-N 3.29Å; V254-C257 PolarHBondContact O-N 2.82Å; V254-C257 VanDerWaalsContact O-N 3.08Å; V254-M258 HydrophobicContact CG1-CG 3.84Å; V254-M258 HydrophobicContact CG1-SD 3.38Å; V254-M258 WeakPolarHBondContact CG1-SD 3.37Å; V254-M258 PolarHBondContact O-N 3.04Å; V254-V265 HydrophobicContact CG1-CG2 4.26Å; V254-T275 HydrophobicContact CG1-CG2 4.31Å; V254-T275 HydrophobicContact CG2-CG2 3.96Å; V254-L305 HydrophobicContact CB-CD1 4.05Å; V254-L305 HydrophobicContact CG1-CD1 3.95Å; V254-L305 HydrophobicContact CG1-CD2 4.13Å; V254-L305 HydrophobicContact CG2-CD1 4.14Å
255Y94.5Very high94.4Very high30 Ų3020.6 Ų20.612%0.11813%0.129CC..Hα-helixtrans-58.7-35.8178.7-161.8-82000112.5Q251 C252 C257 Y299 F300 M456 A457 D460Q251-Y255 WeakPolarHBondContact O-CB 3.33Å; Q251-Y255 PolarHBondContact O-N 3.32Å; C252-Y255 WeakPolarHBondContact O-CB 3.34Å; C252-Y255 PolarHBondContact O-N 2.83Å; C252-Y255 VanDerWaalsContact O-N 3.14Å; Y255-C257 PolarHBondContact O-N 3.46Å; Y255-Y299 HydrophobicContact CD2-CE2 4.44Å; Y255-Y299 AromaticContact CD2-CZ 3.9Å; Y255-Y299 WeakPolarHBondContact CD2-OH 3.39Å; Y255-F300 AromaticContact CD2-CD2 3.92Å; Y255-F300 HydrophobicContact CD2-CD2 3.92Å; Y255-F300 AromaticContact CD2-CE2 3.42Å; Y255-F300 HydrophobicContact CD2-CE2 3.42Å; Y255-F300 VanDerWaalsContact CD2-CE2 3.42Å; Y255-F300 HydrophobicContact CD2-CZ 4.14Å; Y255-F300 HydrophobicContact CE2-CD2 4.11Å; Y255-F300 AromaticContact CE2-CE2 3.9Å; Y255-F300 HydrophobicContact CE2-CE2 3.9Å; Y255-F300 HydrophobicContact CE2-CZ 4.42Å; Y255-F300 HydrophobicContact CG-CE2 4.31Å; Y255-M456 HydrophobicContact CD1-CB 3.94Å; Y255-M456 HydrophobicContact CE1-CB 3.83Å; Y255-A457 HydrophobicContact CD1-CB 4.29Å; Y255-A457 HydrophobicContact CE1-CB 4.17Å; Y255-A457 HydrophobicContact CE2-CB 4.48Å; Y255-A457 HydrophobicContact CG-CB 4.49Å; Y255-D460 WeakPolarHBondContact OH-CB 3.16Å; Y255-D460 PolarHBondContact OH-OD2 2.85Å; Y255-D460 VanDerWaalsContact OH-OD2 3.11Å
256S93.6Very high94.4Very high16 Ų1620.5 Ų20.511%0.11213%0.128CC..Hα-helixtrans-68-20.4178.874.50000114.2C252 S253 V254 A448 D449C252-S256 PolarHBondContact O-N 3.34Å; S253-S256 PolarHBondContact O-N 3.2Å; S253-S256 PolarHBondContact O-OG 3.25Å; V254-S256 PolarHBondContact O-N 3.29Å; S256-A448 WeakPolarHBondContact OG-CA 3.48Å; S256-D449 WeakPolarHBondContact CB-O 3.45Å; S256-D449 PolarHBondContact OG-N 2.94Å; S256-D449 PolarHBondContact OG-O 3.11Å
257C91.3Very high94.2Very high1 Ų122.1 Ų22.11%0.00714%0.137CC..Hα-helixtrans-105.2-33.4-178-75.50000113.4V254 Y255 S259 V265 V418 Q446 A448V254-C257 PolarHBondContact O-N 2.82Å; V254-C257 VanDerWaalsContact O-N 3.08Å; Y255-C257 PolarHBondContact O-N 3.46Å; C257-S259 PolarHBondContact O-N 3.17Å; C257-V265 HydrophobicContact CB-CG1 4.17Å; C257-V265 HydrophobicContact CB-CG2 3.83Å; C257-V418 HydrophobicContact CB-CG1 4.02Å; C257-Q446 PolarHBondContact O-OE1 2.88Å; C257-A448 WeakPolarHBondContact SG-CA 3.38Å; C257-A448 WeakPolarHBondContact SG-CB 3.3Å; C257-A448 PolarHBondContact SG-N 2.7Å; C257-A448 VanDerWaalsContact SG-N 3.39Å
258M89.4Confident94.1Very high28 Ų2822.1 Ų22.114%0.13814%0.137CC..  trans-75.1119.7-177.5-74.6-172.470.200110.5V254 S260 D263 V265 A277V254-M258 HydrophobicContact CG1-CG 3.84Å; V254-M258 HydrophobicContact CG1-SD 3.38Å; V254-M258 WeakPolarHBondContact CG1-SD 3.37Å; V254-M258 PolarHBondContact O-N 3.04Å; M258-S260 WeakPolarHBondContact CE-O 3.35Å; M258-D263 HydrophobicContact CE-CB 4.39Å; M258-D263 WeakPolarHBondContact CE-O 3.48Å; M258-D263 HydrophobicContact CG-CB 4.25Å; M258-V265 HydrophobicContact CG-CG2 3.66Å; M258-A277 HydrophobicContact CE-CB 3.9Å
259S87Confident93.9Very high84 Ų8424 Ų2459%0.58715%0.15SC*.SBendtrans-108.3-8.9172.443.10000112.6C257 D263 R416C257-S259 PolarHBondContact O-N 3.17Å; S259-D263 PolarHBondContact N-OD2 2.83Å; S259-D263 PolarHBondContact OG-OD2 2.83Å; S259-R416 PolarHBondContact OG-NH2 3.47Å
260S90.1Very high93.6Very high47 Ų4726.6 Ų26.633%0.32917%0.167SC..SBendtrans-143.7147.8175.3177.10000110.7M258 A262 D263M258-S260 WeakPolarHBondContact CE-O 3.35Å; S260-A262 PolarHBondContact O-N 2.84Å; S260-A262 VanDerWaalsContact O-N 3.12Å; S260-A262 PolarHBondContact OG-N 3.24Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 VanDerWaalsContact O-CB 3.3Å; S260-D263 WeakPolarHBondContact O-CB 3.35Å; S260-D263 PolarHBondContact O-N 3.45Å
261P88.2Confident93.6Very high110 Ų11027.6 Ų27.671%0.71418%0.178SC*.THydrogen-bonded Turntrans-58.3-19.5168.5-23.634.1000114D263P261-D263 VanDerWaalsContact C-N 3.27Å
262A93.3Very high93.5Very high23 Ų2327.6 Ų27.619%0.1918%0.178CC..THydrogen-bonded Turntrans-85.66.8175.400000113.6S260 V414 R415 R416S260-A262 PolarHBondContact O-N 2.84Å; S260-A262 VanDerWaalsContact O-N 3.12Å; S260-A262 PolarHBondContact OG-N 3.24Å; A262-V414 CarbonylContact O-C 3.58Å; A262-V414 WeakPolarHBondContact O-CA 3.35Å; A262-R415 HydrophobicContact CB-CB 4.38Å; A262-R415 HydrophobicContact CB-CG 4.33Å; A262-R415 PolarHBondContact O-N 3.26Å; A262-R416 PolarHBondContact O-N 2.96Å
263D95.7Very high93.5Very high3 Ų330 Ų302%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-87142173.8-65.1-24.3000111M258 S259 S260 P261 R416 V418M258-D263 HydrophobicContact CE-CB 4.39Å; M258-D263 WeakPolarHBondContact CE-O 3.48Å; M258-D263 HydrophobicContact CG-CB 4.25Å; S259-D263 PolarHBondContact N-OD2 2.83Å; S259-D263 PolarHBondContact OG-OD2 2.83Å; S260-D263 PolarHBondContact N-OD2 3.02Å; S260-D263 VanDerWaalsContact O-CB 3.3Å; S260-D263 WeakPolarHBondContact O-CB 3.35Å; S260-D263 PolarHBondContact O-N 3.45Å; P261-D263 VanDerWaalsContact C-N 3.27Å; D263-R416 WeakPolarHBondContact CA-O 3.19Å; D263-R416 IonicContact OD1-CZ 2.76Å; D263-R416 IonicContact OD1-NE 2.72Å; D263-R416 PolarHBondContact OD1-NE 3.31Å; D263-R416 IonicContact OD1-NH2 3Å; D263-R416 PolarHBondContact OD1-NH2 2.78Å; D263-R416 IonicContact OD2-CZ 2.83Å; D263-R416 IonicContact OD2-NE 3.22Å; D263-R416 IonicContact OD2-NH2 3.73Å; D263-R416 PolarHBondContact OD2-NH2 3.04Å; D263-V418 HydrophobicContact CB-CG2 4.26Å
264A96.7Very high93.6Very high0 Ų029.3 Ų29.30%018%0.184CC..EExtended strand (participates in β ladder)trans-109150.1156.800000109L274 T275 F276 L409 V414 R416 L417 V418A264-L274 HydrophobicContact CB-CD1 4.2Å; A264-T275 CarbonylContact C-O 3.52Å; A264-T275 WeakPolarHBondContact CA-O 3.44Å; A264-T275 WeakPolarHBondContact CB-O 3.3Å; A264-F276 HydrophobicContact CB-CB 4.02Å; A264-L409 HydrophobicContact CB-CD2 4.29Å; A264-V414 HydrophobicContact CB-CG1 3.59Å; A264-V414 HydrophobicContact CB-CG2 4.24Å; A264-R416 PolarHBondContact N-O 3.48Å; A264-L417 HydrophobicContact CB-CD1 3.75Å; A264-L417 CarbonylContact O-C 3.59Å; A264-L417 WeakPolarHBondContact O-CA 3.38Å; A264-V418 PolarHBondContact O-N 2.98Å
265V96.8Very high93.8Very high3 Ų329.2 Ų29.22%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-111.7120.8176.3-176.90000108.5V254 C257 M258 L274 T275 V418V254-V265 HydrophobicContact CG1-CG2 4.26Å; C257-V265 HydrophobicContact CB-CG1 4.17Å; C257-V265 HydrophobicContact CB-CG2 3.83Å; M258-V265 HydrophobicContact CG-CG2 3.66Å; V265-L274 WeakPolarHBondContact O-CA 3.48Å; V265-T275 PolarHBondContact N-O 3.5Å; V265-T275 PolarHBondContact O-N 3Å; V265-V418 WeakPolarHBondContact CA-O 3.47Å; V265-V418 HydrophobicContact CG2-CB 4.45Å
266L97Very high93.9Very high1 Ų127.8 Ų27.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-105.1104.9169.1176.963.3000108.5I268 Q273 L274 V400 L417 V418 S420 V434 F438L266-I268 HydrophobicContact CD1-CD1 4.27Å; L266-I268 HydrophobicContact CD1-CG1 4.07Å; L266-I268 HydrophobicContact CD2-CD1 4.13Å; L266-I268 HydrophobicContact CG-CD1 4.16Å; L266-I268 HydrophobicContact CG-CG1 4.1Å; L266-Q273 CarbonylContact C-O 3.51Å; L266-Q273 WeakPolarHBondContact CA-O 3.37Å; L266-L274 HydrophobicContact CB-CD1 4.26Å; L266-L274 HydrophobicContact CD1-CB 4.15Å; L266-V400 HydrophobicContact CD1-CG1 4.01Å; L266-L417 HydrophobicContact CB-CD1 3.86Å; L266-L417 HydrophobicContact CB-CD2 4.11Å; L266-L417 HydrophobicContact CB-CG 4.07Å; L266-L417 HydrophobicContact CD2-CD2 4.04Å; L266-V418 PolarHBondContact N-O 2.95Å; L266-S420 PolarHBondContact O-N 3.5Å; L266-V434 HydrophobicContact CD2-CB 4.36Å; L266-V434 HydrophobicContact CD2-CG1 3.73Å; L266-V434 HydrophobicContact CD2-CG2 3.61Å; L266-F438 HydrophobicContact CD2-CE2 4.12Å
267N95.6Very high94Very high33 Ų3328 Ų2818%0.17618%0.18CC..EExtended strand (participates in β ladder)trans-102.4116176.6-174.2-0.8000109.9A272 Q273 S420 G421N267-A272 CarbonylContact O-C 3.54Å; N267-A272 VanDerWaalsContact O-CA 3.29Å; N267-A272 WeakPolarHBondContact O-CA 3.36Å; N267-Q273 PolarHBondContact N-O 3.27Å; N267-Q273 PolarHBondContact O-N 3Å; N267-S420 CarbonylContact C-O 3.55Å; N267-S420 WeakPolarHBondContact CA-O 3.38Å; N267-G421 WeakPolarHBondContact OD1-CA 3.01Å
268I95.8Very high94.2Very high0 Ų029.2 Ų29.20%019%0.186CC..EExtended strand (participates in β ladder)trans-120103.6172.9-48.4170.8000109.2L266 A272 V396 S420 G421 A423 L424 L430 V434L266-I268 HydrophobicContact CD1-CD1 4.27Å; L266-I268 HydrophobicContact CD1-CG1 4.07Å; L266-I268 HydrophobicContact CD2-CD1 4.13Å; L266-I268 HydrophobicContact CG-CD1 4.16Å; L266-I268 HydrophobicContact CG-CG1 4.1Å; I268-A272 HydrophobicContact CB-CB 4.4Å; I268-A272 HydrophobicContact CG1-CB 3.95Å; I268-A272 HydrophobicContact CG2-CB 4.13Å; I268-V396 HydrophobicContact CG2-CG1 4.33Å; I268-S420 PolarHBondContact N-O 2.87Å; I268-G421 CarbonylContact O-C 3.55Å; I268-G421 VanDerWaalsContact O-CA 3.3Å; I268-G421 WeakPolarHBondContact O-CA 3.4Å; I268-A423 HydrophobicContact CG2-CB 4.25Å; I268-A423 WeakPolarHBondContact O-CB 3.39Å; I268-A423 PolarHBondContact O-N 2.83Å; I268-L424 HydrophobicContact CB-CB 4.19Å; I268-L424 HydrophobicContact CD1-CD1 4.39Å; I268-L424 PolarHBondContact O-N 3.07Å; I268-L430 HydrophobicContact CB-CD2 4.37Å; I268-L430 HydrophobicContact CD1-CD2 3.99Å; I268-L430 HydrophobicContact CD1-CG 4.35Å; I268-L430 HydrophobicContact CG2-CD2 4.01Å; I268-V434 HydrophobicContact CD1-CG2 4.35Å
269S91.9Very high94.3Very high40 Ų4030.8 Ų30.828%0.2820%0.199SC..SBendtrans-121.1-125.6173.7-164.60000107.8S271 G314 S422S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 CarbonylContact C-O 3.42Å; S269-S271 PolarHBondContact N-O 3.17Å; S269-S271 PolarHBondContact O-N 3.02Å; S269-G314 WeakPolarHBondContact O-CA 3.31Å; S269-G314 PolarHBondContact O-N 3.3Å; S269-S422 PolarHBondContact OG-OG 3.08Å
270T91.6Very high94.3Very high97 Ų9731.2 Ų31.260%0.59521%0.207SC*.SBendtrans-56.7-48.5171.3-51.80000111.6G313 G314 N315T270-G313 CarbonylContact O-C 3.57Å; T270-G314 PolarHBondContact O-N 3.07Å; T270-G314 VanDerWaalsContact O-N 3.14Å; T270-N315 HydrophobicContact CG2-CB 3.97Å; T270-N315 WeakPolarHBondContact O-CB 3.46Å; T270-N315 PolarHBondContact O-N 3.31Å; T270-N315 PolarHBondContact O-ND2 2.93Å; T270-N315 PolarHBondContact O-OD1 3.17Å
271S94Very high94.3Very high44 Ų4435.7 Ų35.731%0.30823%0.227SC..SBendtrans-107.4-177.9171.557.10000110.6S269 S310S269-S271 VanDerWaalsContact C-N 3.34Å; S269-S271 CarbonylContact C-O 3.42Å; S269-S271 PolarHBondContact N-O 3.17Å; S269-S271 PolarHBondContact O-N 3.02Å; S271-S310 WeakPolarHBondContact CB-O 3.47Å
272A95.8Very high94.6Very high0 Ų032.6 Ų32.60%020%0.203CC..EExtended strand (participates in β ladder)trans-127.6140.4176.400000112.2N267 I268 S310 V400N267-A272 CarbonylContact O-C 3.54Å; N267-A272 VanDerWaalsContact O-CA 3.29Å; N267-A272 WeakPolarHBondContact O-CA 3.36Å; I268-A272 HydrophobicContact CB-CB 4.4Å; I268-A272 HydrophobicContact CG1-CB 3.95Å; I268-A272 HydrophobicContact CG2-CB 4.13Å; A272-S310 PolarHBondContact N-O 3.25Å; A272-S310 PolarHBondContact O-N 3.33Å; A272-V400 HydrophobicContact CB-CG2 3.63Å
273Q96.3Very high94.4Very high51 Ų5136.6 Ų36.624%0.23823%0.225CC..EExtended strand (participates in β ladder)trans-138.6131179-65.7175.3100110.5L266 N267 V307 A308 A309L266-Q273 CarbonylContact C-O 3.51Å; L266-Q273 WeakPolarHBondContact CA-O 3.37Å; N267-Q273 PolarHBondContact N-O 3.27Å; N267-Q273 PolarHBondContact O-N 3Å; Q273-V307 HydrophobicContact CB-CG2 4.45Å; Q273-A308 CarbonylContact C-O 3.59Å; Q273-A308 VanDerWaalsContact CA-O 3.28Å; Q273-A308 WeakPolarHBondContact CA-O 3.27Å; Q273-A309 HydrophobicContact CG-CB 4.15Å
274L97.5Very high94.2Very high0 Ų036.8 Ų36.80%023%0.226CC..EExtended strand (participates in β ladder)trans-114.2123169.4173.960.9000108.8A264 V265 L266 V307 A308 V400 M404 L409 L417 F438A264-L274 HydrophobicContact CB-CD1 4.2Å; V265-L274 WeakPolarHBondContact O-CA 3.48Å; L266-L274 HydrophobicContact CB-CD1 4.26Å; L266-L274 HydrophobicContact CD1-CB 4.15Å; L274-V307 WeakPolarHBondContact O-CA 3.49Å; L274-A308 PolarHBondContact N-O 3.39Å; L274-A308 PolarHBondContact O-N 3.38Å; L274-V400 HydrophobicContact CB-CG1 3.42Å; L274-V400 VanDerWaalsContact CB-CG1 3.42Å; L274-V400 HydrophobicContact CD2-CG1 4.16Å; L274-V400 HydrophobicContact CG-CG1 4.45Å; L274-M404 HydrophobicContact CD2-CB 4.04Å; L274-M404 HydrophobicContact CD2-CG 4.18Å; L274-M404 HydrophobicContact CD2-SD 3.98Å; L274-M404 HydrophobicContact CG-SD 3.85Å; L274-L409 HydrophobicContact CD1-CD1 4.45Å; L274-L409 HydrophobicContact CD2-CD1 4.12Å; L274-L409 HydrophobicContact CD2-CD2 4.37Å; L274-L409 HydrophobicContact CG-CD2 4.48Å; L274-L417 HydrophobicContact CD1-CD1 3.69Å; L274-F438 HydrophobicContact CD2-CE1 3.83Å; L274-F438 HydrophobicContact CD2-CZ 3.91Å
275T97.5Very high93.7Very high2 Ų238.6 Ų38.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-135143.7-171.8-55.20000112F250 V254 A264 V265 L305 A306 V307F250-T275 HydrophobicContact CE2-CG2 4.21Å; F250-T275 WeakPolarHBondContact CE2-OG1 3.36Å; F250-T275 HydrophobicContact CZ-CG2 3.59Å; F250-T275 WeakPolarHBondContact CZ-OG1 3.49Å; V254-T275 HydrophobicContact CG1-CG2 4.31Å; V254-T275 HydrophobicContact CG2-CG2 3.96Å; A264-T275 CarbonylContact C-O 3.52Å; A264-T275 WeakPolarHBondContact CA-O 3.44Å; A264-T275 WeakPolarHBondContact CB-O 3.3Å; V265-T275 PolarHBondContact N-O 3.5Å; V265-T275 PolarHBondContact O-N 3Å; T275-L305 HydrophobicContact CG2-CB 3.84Å; T275-L305 HydrophobicContact CG2-CD1 4.06Å; T275-L305 HydrophobicContact CG2-CD2 4.12Å; T275-L305 HydrophobicContact CG2-CG 4.21Å; T275-A306 VanDerWaalsContact CA-O 3.24Å; T275-A306 WeakPolarHBondContact CA-O 3.28Å; T275-A306 WeakPolarHBondContact CG2-O 3.37Å; T275-V307 WeakPolarHBondContact OG1-CG2 3.37Å
276F96.8Very high92.9Very high1 Ų145.8 Ų45.80%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-145.2161.6165.669.1-83.3000110.8A264 M278 L305 A306 M404 H408 L409 A412 V414A264-F276 HydrophobicContact CB-CB 4.02Å; F276-M278 HydrophobicContact CD2-SD 4.35Å; F276-M278 HydrophobicContact CE2-SD 3.35Å; F276-M278 WeakPolarHBondContact CE2-SD 3.21Å; F276-M278 HydrophobicContact CZ-SD 3.59Å; F276-M278 VanDerWaalsContact CZ-SD 3.59Å; F276-L305 WeakPolarHBondContact O-CA 3.47Å; F276-A306 HydrophobicContact CD1-CB 4.11Å; F276-A306 HydrophobicContact CE1-CB 3.55Å; F276-A306 HydrophobicContact CE2-CB 4.19Å; F276-A306 HydrophobicContact CZ-CB 3.59Å; F276-A306 PolarHBondContact N-O 3.36Å; F276-A306 VanDerWaalsContact N-O 3.13Å; F276-A306 PolarHBondContact O-N 3.01Å; F276-M404 HydrophobicContact CD1-CE 4.26Å; F276-M404 HydrophobicContact CD1-SD 3.64Å; F276-M404 HydrophobicContact CE1-CE 3.89Å; F276-M404 HydrophobicContact CE1-SD 3.52Å; F276-M404 VanDerWaalsContact CE1-SD 3.52Å; F276-H408 AromaticContact CE1-CD2 3.65Å; F276-H408 AromaticContact CE1-NE2 3.93Å; F276-H408 AromaticContact CZ-CD2 3.65Å; F276-H408 AromaticContact CZ-NE2 3.6Å; F276-L409 HydrophobicContact CD1-CD2 3.54Å; F276-L409 HydrophobicContact CE1-CD2 4Å; F276-L409 HydrophobicContact CG-CD2 4.26Å; F276-A412 HydrophobicContact CD2-CB 3.67Å; F276-A412 HydrophobicContact CE2-CB 3.15Å; F276-A412 HydrophobicContact CZ-CB 3.74Å; F276-V414 HydrophobicContact CB-CG2 3.77Å; F276-V414 HydrophobicContact CD2-CG2 4.16Å; F276-V414 HydrophobicContact CG-CG2 3.97Å
277A95.9Very high92.1Very high20 Ų2049 Ų4917%0.16530%0.299CS..EExtended strand (participates in β ladder)trans-80.8131.1177.100000111.4M258 L305M258-A277 HydrophobicContact CE-CB 3.9Å; A277-L305 HydrophobicContact CB-CD2 4.13Å
278M95.2Very high91.5Very high26 Ų2649.7 Ų49.713%0.12831%0.305CS..PPolyproline II helixtrans-74.8151.4173.3-65.1-58.3-70.600110.9F276 F282 Y296 Y304 A306F276-M278 HydrophobicContact CD2-SD 4.35Å; F276-M278 HydrophobicContact CE2-SD 3.35Å; F276-M278 WeakPolarHBondContact CE2-SD 3.21Å; F276-M278 HydrophobicContact CZ-SD 3.59Å; F276-M278 VanDerWaalsContact CZ-SD 3.59Å; M278-F282 HydrophobicContact CB-CB 3.87Å; M278-F282 HydrophobicContact CB-CD1 3.77Å; M278-F282 HydrophobicContact CB-CG 3.9Å; M278-F282 HydrophobicContact CE-CB 4.2Å; M278-F282 HydrophobicContact CE-CD1 3.96Å; M278-F282 HydrophobicContact CE-CD2 3.25Å; M278-F282 HydrophobicContact CE-CE1 4.14Å; M278-F282 HydrophobicContact CE-CE2 3.47Å; M278-F282 VanDerWaalsContact CE-CE2 3.47Å; M278-F282 HydrophobicContact CE-CG 3.51Å; M278-F282 HydrophobicContact CE-CZ 3.9Å; M278-F282 HydrophobicContact CG-CD1 3.8Å; M278-F282 HydrophobicContact CG-CE1 4.11Å; M278-F282 HydrophobicContact CG-CG 4.15Å; M278-Y296 HydrophobicContact CE-CE1 4.07Å; M278-Y296 HydrophobicContact CG-CD1 4.08Å; M278-Y296 HydrophobicContact CG-CE1 4.31Å; M278-Y296 HydrophobicContact SD-CD1 4.39Å; M278-Y296 HydrophobicContact SD-CE1 4.03Å; M278-Y304 WeakPolarHBondContact CB-O 3.13Å; M278-Y304 PolarHBondContact N-O 2.84Å; M278-A306 HydrophobicContact CG-CB 4.05Å; M278-A306 HydrophobicContact SD-CB 3.62Å
279P91.2Very high90.9Very high62 Ų6254.7 Ų54.740%0.40333%0.329SS..PPolyproline II helixtrans-53.1151.7169.5-26.736.3000112.6D281 F282P279-D281 WeakPolarHBondContact CB-OD1 3.4Å; P279-D281 PolarHBondContact O-N 3.09Å; P279-F282 WeakPolarHBondContact O-CB 3.09Å; P279-F282 PolarHBondContact O-N 3.3Å
280A88.4Confident90Very high93 Ų9359.5 Ų59.577%0.76935%0.351SS*.THydrogen-bonded Turntrans-65-23.7-175.600000114.1F282A280-F282 VanDerWaalsContact C-N 3.34Å
281D90.1Very high89.6Confident140 Ų14063.3 Ų63.375%0.74936%0.361SS*.THydrogen-bonded Turntrans-88-0.9176.464.3-33000113.2P279 T283P279-D281 WeakPolarHBondContact CB-OD1 3.4Å; P279-D281 PolarHBondContact O-N 3.09Å; D281-T283 PolarHBondContact O-N 2.9Å
282F92.9Very high89.4Confident45 Ų4562.9 Ų62.920%0.19736%0.358CS..  trans-68.7128177.1175.3-101.4000111.4M278 P279 A280 P284 Y296 Y304M278-F282 HydrophobicContact CB-CB 3.87Å; M278-F282 HydrophobicContact CB-CD1 3.77Å; M278-F282 HydrophobicContact CB-CG 3.9Å; M278-F282 HydrophobicContact CE-CB 4.2Å; M278-F282 HydrophobicContact CE-CD1 3.96Å; M278-F282 HydrophobicContact CE-CD2 3.25Å; M278-F282 HydrophobicContact CE-CE1 4.14Å; M278-F282 HydrophobicContact CE-CE2 3.47Å; M278-F282 VanDerWaalsContact CE-CE2 3.47Å; M278-F282 HydrophobicContact CE-CG 3.51Å; M278-F282 HydrophobicContact CE-CZ 3.9Å; M278-F282 HydrophobicContact CG-CD1 3.8Å; M278-F282 HydrophobicContact CG-CE1 4.11Å; M278-F282 HydrophobicContact CG-CG 4.15Å; P279-F282 WeakPolarHBondContact O-CB 3.09Å; P279-F282 PolarHBondContact O-N 3.3Å; A280-F282 VanDerWaalsContact C-N 3.34Å; F282-P284 HydrophobicContact CE1-CB 4.13Å; F282-P284 HydrophobicContact CZ-CB 4.43Å; F282-Y296 AromaticContact CE1-CD1 3.48Å; F282-Y296 HydrophobicContact CE1-CD1 3.48Å; F282-Y296 VanDerWaalsContact CE1-CD1 3.48Å; F282-Y296 HydrophobicContact CE1-CD2 4.4Å; F282-Y296 AromaticContact CE1-CE1 3.87Å; F282-Y296 HydrophobicContact CE1-CE1 3.87Å; F282-Y296 AromaticContact CE1-CG 3.77Å; F282-Y296 HydrophobicContact CE1-CG 3.77Å; F282-Y296 HydrophobicContact CE2-CE1 4.21Å; F282-Y296 AromaticContact CZ-CD1 3.53Å; F282-Y296 HydrophobicContact CZ-CD1 3.53Å; F282-Y296 HydrophobicContact CZ-CD2 4.09Å; F282-Y296 AromaticContact CZ-CE1 3.44Å; F282-Y296 HydrophobicContact CZ-CE1 3.44Å; F282-Y296 VanDerWaalsContact CZ-CE1 3.44Å; F282-Y296 HydrophobicContact CZ-CE2 4.02Å; F282-Y296 AromaticContact CZ-CG 3.85Å; F282-Y296 HydrophobicContact CZ-CG 3.85Å; F282-Y296 AromaticContact CZ-CZ 3.7Å; F282-Y304 AromaticContact CD1-CD2 3.9Å; F282-Y304 HydrophobicContact CD1-CD2 3.9Å; F282-Y304 HydrophobicContact CD1-CG 4.16Å; F282-Y304 HydrophobicContact CE1-CD2 4.41Å; F282-Y304 HydrophobicContact CE1-CG 4.32Å
283T90.6Very high89.2Confident107 Ų10764.4 Ų64.466%0.65637%0.369SS*.  trans-112.7129.616854.30000110D281D281-T283 PolarHBondContact O-N 2.9Å
284P90.3Very high89.1Confident8 Ų862.8 Ų62.85%0.05236%0.362CS..  trans-65.8162175.730.1-36.1000111.4H136 F282 Y304H136-P284 HydrophobicContact CB-CB 4.09Å; H136-P284 HydrophobicContact CB-CG 4.49Å; F282-P284 HydrophobicContact CE1-CB 4.13Å; F282-P284 HydrophobicContact CZ-CB 4.43Å; P284-Y304 VanDerWaalsContact CD-CZ 3.49Å; P284-Y304 HydrophobicContact CG-CD1 4.39Å; P284-Y304 HydrophobicContact CG-CE1 3.75Å; P284-Y304 HydrophobicContact CG-CE2 4.32Å
285P86.2Confident88.9Confident38 Ų3865.2 Ų65.225%0.24738%0.379CS..  trans-56.1147.6175.7-22.932.8000112.3H136 S287 Q289H136-P285 WeakPolarHBondContact CB-O 3.32Å; P285-S287 PolarHBondContact O-N 2.88Å; P285-S287 VanDerWaalsContact O-N 3.08Å; P285-Q289 HydrophobicContact CB-CG 4.32Å; P285-Q289 HydrophobicContact CG-CG 4.32Å; P285-Q289 VanDerWaalsContact CG-NE2 3.32Å
286N79.5Confident88.8Confident154 Ų15466.6 Ų66.682%0.82438%0.384SS*.SBendtrans-764.5-177.4-66.5-23.5000115
287S81.6Confident88.8Confident69 Ų6968 Ų6848%0.48339%0.39SS..SBendtrans-148.8155.4-17861.60000111.7P285 Q289P285-S287 PolarHBondContact O-N 2.88Å; P285-S287 VanDerWaalsContact O-N 3.08Å; S287-Q289 PolarHBondContact O-N 2.95Å
288P82.1Confident88.8Confident46 Ų4667.4 Ų67.430%0.29939%0.385SS..  trans-60.7131177.7-22.435.5000112.4S135 H136S135-P288 WeakPolarHBondContact O-CD 3.42Å; S135-P288 WeakPolarHBondContact O-CG 3.42Å; H136-P288 WeakPolarHBondContact O-CA 3.34Å
289Q82.8Confident88.8Confident105 Ų10567.3 Ų67.349%0.49138%0.383SS..  trans-104.781.4175.3-65.2-173.9-19.900109.8P285 S287 E291 S292P285-Q289 HydrophobicContact CB-CG 4.32Å; P285-Q289 HydrophobicContact CG-CG 4.32Å; P285-Q289 VanDerWaalsContact CG-NE2 3.32Å; S287-Q289 PolarHBondContact O-N 2.95Å; Q289-E291 PolarHBondContact O-N 2.79Å; Q289-S292 WeakPolarHBondContact O-CB 3.17Å; Q289-S292 PolarHBondContact O-N 2.91Å
290L74.8Confident88.9Confident142 Ų14264.4 Ų64.474%0.74336%0.364SS*.THydrogen-bonded Turntrans-61.2-29.9-172.3-65.7171.3000114
291E81.9Confident89.1Confident176 Ų17665.6 Ų65.682%0.82236%0.358SS*.THydrogen-bonded Turntrans-89.8-6.3179.6-61.3-179.4175.500112.8Q289 S293Q289-E291 PolarHBondContact O-N 2.79Å; E291-S293 PolarHBondContact O-N 2.83Å
292S89.3Confident89.1Confident35 Ų3563.7 Ų63.725%0.24536%0.355CS..  trans-72.4129177.9-179.90000110.3Q289 I294 H367Q289-S292 WeakPolarHBondContact O-CB 3.17Å; Q289-S292 PolarHBondContact O-N 2.91Å; S292-I294 PolarHBondContact O-N 2.84Å; S292-I294 PolarHBondContact OG-N 2.89Å; S292-I294 VanDerWaalsContact OG-N 3.11Å; S292-I294 PolarHBondContact OG-O 2.91Å; S292-H367 WeakPolarHBondContact O-CB 3.41Å
293S92.4Very high89.1Confident32 Ų3262.4 Ų62.422%0.22435%0.352CS..SBendtrans-72-14.2169.7530000113.3E291 M403E291-S293 PolarHBondContact O-N 2.83Å; S293-M403 PolarHBondContact OG-O 3.42Å
294I94.6Very high89.4Confident18 Ų1858 Ų589%0.09232%0.323CS..EExtended strand (participates in β ladder)trans-110.7128.3-179-56.5175.6000109.8S292 Y296 A306 V307 M403 M404S292-I294 PolarHBondContact O-N 2.84Å; S292-I294 PolarHBondContact OG-N 2.89Å; S292-I294 VanDerWaalsContact OG-N 3.11Å; S292-I294 PolarHBondContact OG-O 2.91Å; I294-Y296 HydrophobicContact CG2-CE1 4.09Å; I294-Y296 HydrophobicContact CG2-CE2 4.44Å; I294-A306 HydrophobicContact CG2-CB 4.05Å; I294-V307 WeakPolarHBondContact CA-O 3.34Å; I294-M403 WeakPolarHBondContact CG1-O 3.47Å; I294-M404 HydrophobicContact CB-CE 4.5Å; I294-M404 HydrophobicContact CD1-CB 4.19Å; I294-M404 HydrophobicContact CD1-CE 4.01Å; I294-M404 HydrophobicContact CD1-CG 4.06Å; I294-M404 HydrophobicContact CG1-CB 4.35Å; I294-M404 HydrophobicContact CG1-CE 3.93Å; I294-M404 HydrophobicContact CG2-CE 3.87Å
295S93.7Very high89.7Confident51 Ų5157.6 Ų57.636%0.35732%0.321SS..EExtended strand (participates in β ladder)trans-111.6156.4171.1-64.10000110.8A306 V307S295-A306 CarbonylContact O-C 3.5Å; S295-A306 WeakPolarHBondContact O-CA 3.49Å; S295-V307 PolarHBondContact N-O 2.96Å; S295-V307 WeakPolarHBondContact O-CG1 3.32Å; S295-V307 PolarHBondContact O-N 2.95Å
296Y95.2Very high90.2Very high30 Ų3055.8 Ų55.812%0.11831%0.309CS..EExtended strand (participates in β ladder)trans-121.2104.2-177.7-59.1-79.8000111H136 F137 M278 F282 I294 L305 A306H136-Y296 PolarHBondContact NE2-O 2.94Å; F137-Y296 WeakPolarHBondContact CE2-O 3.43Å; F137-Y296 WeakPolarHBondContact CZ-O 3.49Å; M278-Y296 HydrophobicContact CE-CE1 4.07Å; M278-Y296 HydrophobicContact CG-CD1 4.08Å; M278-Y296 HydrophobicContact CG-CE1 4.31Å; M278-Y296 HydrophobicContact SD-CD1 4.39Å; M278-Y296 HydrophobicContact SD-CE1 4.03Å; F282-Y296 AromaticContact CE1-CD1 3.48Å; F282-Y296 HydrophobicContact CE1-CD1 3.48Å; F282-Y296 VanDerWaalsContact CE1-CD1 3.48Å; F282-Y296 HydrophobicContact CE1-CD2 4.4Å; F282-Y296 AromaticContact CE1-CE1 3.87Å; F282-Y296 HydrophobicContact CE1-CE1 3.87Å; F282-Y296 AromaticContact CE1-CG 3.77Å; F282-Y296 HydrophobicContact CE1-CG 3.77Å; F282-Y296 HydrophobicContact CE2-CE1 4.21Å; F282-Y296 AromaticContact CZ-CD1 3.53Å; F282-Y296 HydrophobicContact CZ-CD1 3.53Å; F282-Y296 HydrophobicContact CZ-CD2 4.09Å; F282-Y296 AromaticContact CZ-CE1 3.44Å; F282-Y296 HydrophobicContact CZ-CE1 3.44Å; F282-Y296 VanDerWaalsContact CZ-CE1 3.44Å; F282-Y296 HydrophobicContact CZ-CE2 4.02Å; F282-Y296 AromaticContact CZ-CG 3.85Å; F282-Y296 HydrophobicContact CZ-CG 3.85Å; F282-Y296 AromaticContact CZ-CZ 3.7Å; I294-Y296 HydrophobicContact CG2-CE1 4.09Å; I294-Y296 HydrophobicContact CG2-CE2 4.44Å; Y296-L305 CarbonylContact C-O 3.56Å; Y296-L305 VanDerWaalsContact CA-O 3.27Å; Y296-L305 WeakPolarHBondContact CA-O 3.44Å; Y296-A306 HydrophobicContact CD1-CB 3.87Å; Y296-A306 HydrophobicContact CE1-CB 3.76Å
297F95.6Very high91Very high31 Ų3148.7 Ų48.714%0.13627%0.271CS..EExtended strand (participates in β ladder)trans-92.9139.1-179.3-74.1-94.4000111.5M86 F137 F250 Y299 Y304 L305 V307M86-F297 HydrophobicContact CE-CD1 4.36Å; F137-F297 HydrophobicContact CE1-CD1 4.04Å; F137-F297 HydrophobicContact CE1-CD2 4.31Å; F137-F297 AromaticContact CE1-CE1 3.67Å; F137-F297 HydrophobicContact CE1-CE1 3.67Å; F137-F297 AromaticContact CE1-CE2 3.97Å; F137-F297 HydrophobicContact CE1-CE2 3.97Å; F137-F297 HydrophobicContact CE1-CG 4.36Å; F137-F297 AromaticContact CE1-CZ 3.64Å; F137-F297 HydrophobicContact CE1-CZ 3.64Å; F137-F297 HydrophobicContact CZ-CB 4.41Å; F137-F297 AromaticContact CZ-CD1 3.61Å; F137-F297 HydrophobicContact CZ-CD1 3.61Å; F137-F297 HydrophobicContact CZ-CD2 4.06Å; F137-F297 AromaticContact CZ-CE1 3.75Å; F137-F297 HydrophobicContact CZ-CE1 3.75Å; F137-F297 HydrophobicContact CZ-CE2 4.19Å; F137-F297 AromaticContact CZ-CG 3.79Å; F137-F297 HydrophobicContact CZ-CG 3.79Å; F137-F297 HydrophobicContact CZ-CZ 4.04Å; F250-F297 HydrophobicContact CD1-CB 4.32Å; F250-F297 HydrophobicContact CD1-CD2 4.49Å; F250-F297 HydrophobicContact CD1-CG 4.31Å; F250-F297 HydrophobicContact CE1-CB 4.1Å; F250-F297 HydrophobicContact CE1-CD2 4.12Å; F250-F297 HydrophobicContact CE1-CG 4.22Å; F297-Y299 PolarHBondContact O-N 2.96Å; F297-Y304 CarbonylContact O-C 3.58Å; F297-Y304 VanDerWaalsContact O-CA 3.23Å; F297-Y304 WeakPolarHBondContact O-CA 3.27Å; F297-L305 PolarHBondContact N-O 3.03Å; F297-L305 PolarHBondContact O-N 2.8Å; F297-V307 HydrophobicContact CD2-CG1 3.47Å; F297-V307 VanDerWaalsContact CD2-CG1 3.47Å; F297-V307 HydrophobicContact CE2-CG1 3.49Å; F297-V307 VanDerWaalsContact CE2-CG1 3.49Å
298P96Very high91.7Very high8 Ų845.4 Ų45.45%0.05225%0.248CC..EExtended strand (participates in β ladder)trans-55.2138.8171.6-25.136000110.2P186 A190 T197 Q251 Y304P186-P298 HydrophobicContact CB-CB 4.02Å; P186-P298 HydrophobicContact CB-CG 4.4Å; A190-P298 HydrophobicContact CB-CG 3.74Å; T197-P298 HydrophobicContact CG2-CG 3.6Å; Q251-P298 WeakPolarHBondContact CG-O 3.41Å; Q251-P298 PolarHBondContact NE2-O 3.25Å; P298-Y304 HydrophobicContact CG-CE1 4.31Å
299Y95.6Very high92.3Very high24 Ų2444.1 Ų44.19%0.09424%0.242CC..  trans-119.7-151.6175.9-163.7-130.6000109P223 Q251 Y255 F297 S303 L305P223-Y299 WeakPolarHBondContact CG-O 3.07Å; Q251-Y299 HydrophobicContact CB-CD2 3.97Å; Q251-Y299 HydrophobicContact CB-CE2 4.11Å; Q251-Y299 HydrophobicContact CG-CD2 3.87Å; Q251-Y299 HydrophobicContact CG-CE2 4.47Å; Y255-Y299 HydrophobicContact CD2-CE2 4.44Å; Y255-Y299 AromaticContact CD2-CZ 3.9Å; Y255-Y299 WeakPolarHBondContact CD2-OH 3.39Å; F297-Y299 PolarHBondContact O-N 2.96Å; Y299-S303 PolarHBondContact N-O 3.01Å; Y299-L305 HydrophobicContact CD1-CD2 4.08Å; Y299-L305 HydrophobicContact CD1-CG 4.41Å; Y299-L305 HydrophobicContact CD2-CD1 3.6Å; Y299-L305 HydrophobicContact CD2-CD2 4.05Å; Y299-L305 HydrophobicContact CD2-CG 3.67Å; Y299-L305 HydrophobicContact CE1-CD2 4.25Å; Y299-L305 HydrophobicContact CE2-CD1 3.85Å; Y299-L305 HydrophobicContact CE2-CD2 4.22Å; Y299-L305 HydrophobicContact CE2-CG 4.2Å; Y299-L305 HydrophobicContact CG-CD1 4.25Å; Y299-L305 HydrophobicContact CG-CD2 3.96Å; Y299-L305 HydrophobicContact CG-CG 3.78Å
300F93.8Very high92.9Very high0 Ų039.2 Ų39.20%022%0.219CC..SBendtrans-84.1162.8175.2-60.4-89.6000112P223 L247 Y255 S302 S303 A457P223-F300 HydrophobicContact CB-CD1 3.85Å; P223-F300 HydrophobicContact CB-CE1 4.01Å; P223-F300 HydrophobicContact CG-CD1 4.09Å; L247-F300 HydrophobicContact CD1-CE1 3.96Å; L247-F300 HydrophobicContact CD1-CZ 3.73Å; Y255-F300 AromaticContact CD2-CD2 3.92Å; Y255-F300 HydrophobicContact CD2-CD2 3.92Å; Y255-F300 AromaticContact CD2-CE2 3.42Å; Y255-F300 HydrophobicContact CD2-CE2 3.42Å; Y255-F300 VanDerWaalsContact CD2-CE2 3.42Å; Y255-F300 HydrophobicContact CD2-CZ 4.14Å; Y255-F300 HydrophobicContact CE2-CD2 4.11Å; Y255-F300 AromaticContact CE2-CE2 3.9Å; Y255-F300 HydrophobicContact CE2-CE2 3.9Å; Y255-F300 HydrophobicContact CE2-CZ 4.42Å; Y255-F300 HydrophobicContact CG-CE2 4.31Å; F300-S302 PolarHBondContact O-N 2.63Å; F300-S302 VanDerWaalsContact O-N 3.16Å; F300-S303 WeakPolarHBondContact O-CB 3.2Å; F300-S303 PolarHBondContact O-N 2.85Å; F300-S303 PolarHBondContact O-OG 2.85Å; F300-A457 HydrophobicContact CE1-CB 4.08Å; F300-A457 HydrophobicContact CZ-CB 3.64Å
301D91.3Very high93.8Very high118 Ų11834.8 Ų34.863%0.63120%0.196SC*.THydrogen-bonded Turntrans53.836175.3-50.4-43.1000113.5S303 R461D301-S303 PolarHBondContact O-N 3.33Å; D301-R461 IonicContact OD1-CZ 3.86Å; D301-R461 IonicContact OD1-NH1 2.61Å; D301-R461 PolarHBondContact OD1-NH1 2.98Å; D301-R461 IonicContact OD1-NH2 3.96Å; D301-R461 IonicContact OD2-CZ 2.77Å; D301-R461 VanDerWaalsContact OD2-CZ 3.32Å; D301-R461 IonicContact OD2-NH1 2.82Å; D301-R461 PolarHBondContact OD2-NH1 3.15Å; D301-R461 IonicContact OD2-NH2 4Å; D301-R461 PolarHBondContact OD2-NH2 3.24Å
302S90.1Very high94.5Very high100 Ų10026.4 Ų26.470%0.69916%0.157SC*.THydrogen-bonded Turntrans57.317.8-176-59.40000115.2F300F300-S302 PolarHBondContact O-N 2.63Å; F300-S302 VanDerWaalsContact O-N 3.16Å
303S93.9Very high94.8Very high19 Ų1924.8 Ų24.813%0.13315%0.145CC..  trans-84.5177.517270.90000112Y299 F300 D301Y299-S303 PolarHBondContact N-O 3.01Å; F300-S303 WeakPolarHBondContact O-CB 3.2Å; F300-S303 PolarHBondContact O-N 2.85Å; F300-S303 PolarHBondContact O-OG 2.85Å; D301-S303 PolarHBondContact O-N 3.33Å
304Y96.2Very high95Very high13 Ų1323.6 Ų23.65%0.05114%0.139CC..EExtended strand (participates in β ladder)trans-129.2149.8-178.8-64.3-95.2000111.5H136 T197 M278 F282 P284 F297 P298H136-Y304 AromaticContact CE1-CE1 3.98Å; T197-Y304 PolarHBondContact O-OH 3.41Å; T197-Y304 PolarHBondContact OG1-OH 2.55Å; M278-Y304 WeakPolarHBondContact CB-O 3.13Å; M278-Y304 PolarHBondContact N-O 2.84Å; F282-Y304 AromaticContact CD1-CD2 3.9Å; F282-Y304 HydrophobicContact CD1-CD2 3.9Å; F282-Y304 HydrophobicContact CD1-CG 4.16Å; F282-Y304 HydrophobicContact CE1-CD2 4.41Å; F282-Y304 HydrophobicContact CE1-CG 4.32Å; P284-Y304 VanDerWaalsContact CD-CZ 3.49Å; P284-Y304 HydrophobicContact CG-CD1 4.39Å; P284-Y304 HydrophobicContact CG-CE1 3.75Å; P284-Y304 HydrophobicContact CG-CE2 4.32Å; F297-Y304 CarbonylContact O-C 3.58Å; F297-Y304 VanDerWaalsContact O-CA 3.23Å; F297-Y304 WeakPolarHBondContact O-CA 3.27Å; P298-Y304 HydrophobicContact CG-CE1 4.31Å
305L96.9Very high95Very high0 Ų024.2 Ų24.20%014%0.142CC..EExtended strand (participates in β ladder)trans-96.5123.6162.6-67-179.7000108.9F250 Q251 V254 T275 F276 A277 Y296 F297 Y299F250-L305 HydrophobicContact CD1-CD1 4.35Å; F250-L305 HydrophobicContact CE1-CB 4.1Å; F250-L305 HydrophobicContact CE1-CD1 3.74Å; F250-L305 HydrophobicContact CZ-CB 4.43Å; F250-L305 HydrophobicContact CZ-CD1 4.08Å; Q251-L305 HydrophobicContact CG-CD1 4.21Å; V254-L305 HydrophobicContact CB-CD1 4.05Å; V254-L305 HydrophobicContact CG1-CD1 3.95Å; V254-L305 HydrophobicContact CG1-CD2 4.13Å; V254-L305 HydrophobicContact CG2-CD1 4.14Å; T275-L305 HydrophobicContact CG2-CB 3.84Å; T275-L305 HydrophobicContact CG2-CD1 4.06Å; T275-L305 HydrophobicContact CG2-CD2 4.12Å; T275-L305 HydrophobicContact CG2-CG 4.21Å; F276-L305 WeakPolarHBondContact O-CA 3.47Å; A277-L305 HydrophobicContact CB-CD2 4.13Å; Y296-L305 CarbonylContact C-O 3.56Å; Y296-L305 VanDerWaalsContact CA-O 3.27Å; Y296-L305 WeakPolarHBondContact CA-O 3.44Å; F297-L305 PolarHBondContact N-O 3.03Å; F297-L305 PolarHBondContact O-N 2.8Å; Y299-L305 HydrophobicContact CD1-CD2 4.08Å; Y299-L305 HydrophobicContact CD1-CG 4.41Å; Y299-L305 HydrophobicContact CD2-CD1 3.6Å; Y299-L305 HydrophobicContact CD2-CD2 4.05Å; Y299-L305 HydrophobicContact CD2-CG 3.67Å; Y299-L305 HydrophobicContact CE1-CD2 4.25Å; Y299-L305 HydrophobicContact CE2-CD1 3.85Å; Y299-L305 HydrophobicContact CE2-CD2 4.22Å; Y299-L305 HydrophobicContact CE2-CG 4.2Å; Y299-L305 HydrophobicContact CG-CD1 4.25Å; Y299-L305 HydrophobicContact CG-CD2 3.96Å; Y299-L305 HydrophobicContact CG-CG 3.78Å
306A96.8Very high95.1Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-80.8130.4165.200000108.9T275 F276 M278 I294 S295 Y296 M404T275-A306 VanDerWaalsContact CA-O 3.24Å; T275-A306 WeakPolarHBondContact CA-O 3.28Å; T275-A306 WeakPolarHBondContact CG2-O 3.37Å; F276-A306 HydrophobicContact CD1-CB 4.11Å; F276-A306 HydrophobicContact CE1-CB 3.55Å; F276-A306 HydrophobicContact CE2-CB 4.19Å; F276-A306 HydrophobicContact CZ-CB 3.59Å; F276-A306 PolarHBondContact N-O 3.36Å; F276-A306 VanDerWaalsContact N-O 3.13Å; F276-A306 PolarHBondContact O-N 3.01Å; M278-A306 HydrophobicContact CG-CB 4.05Å; M278-A306 HydrophobicContact SD-CB 3.62Å; I294-A306 HydrophobicContact CG2-CB 4.05Å; S295-A306 CarbonylContact O-C 3.5Å; S295-A306 WeakPolarHBondContact O-CA 3.49Å; Y296-A306 HydrophobicContact CD1-CB 3.87Å; Y296-A306 HydrophobicContact CE1-CB 3.76Å; A306-M404 HydrophobicContact CB-CE 4.18Å
307V96.3Very high95.2Very high5 Ų520.6 Ų20.63%0.0312%0.122CC..EExtended strand (participates in β ladder)trans-134.3129.3-177.565.10000112.1F250 Q273 L274 T275 I294 S295 F297 A309F250-V307 HydrophobicContact CE1-CB 4.38Å; F250-V307 HydrophobicContact CE1-CG1 4.47Å; F250-V307 HydrophobicContact CE2-CG2 3.99Å; F250-V307 HydrophobicContact CZ-CB 3.75Å; F250-V307 HydrophobicContact CZ-CG1 4.27Å; F250-V307 HydrophobicContact CZ-CG2 3.72Å; Q273-V307 HydrophobicContact CB-CG2 4.45Å; L274-V307 WeakPolarHBondContact O-CA 3.49Å; T275-V307 WeakPolarHBondContact OG1-CG2 3.37Å; I294-V307 WeakPolarHBondContact CA-O 3.34Å; S295-V307 PolarHBondContact N-O 2.96Å; S295-V307 WeakPolarHBondContact O-CG1 3.32Å; S295-V307 PolarHBondContact O-N 2.95Å; F297-V307 HydrophobicContact CD2-CG1 3.47Å; F297-V307 VanDerWaalsContact CD2-CG1 3.47Å; F297-V307 HydrophobicContact CE2-CG1 3.49Å; F297-V307 VanDerWaalsContact CE2-CG1 3.49Å; V307-A309 HydrophobicContact CG2-CB 4.22Å
308A96.9Very high95.1Very high0 Ų020.5 Ų20.50%013%0.126CC..EExtended strand (participates in β ladder)trans-98.2115.3159.100000108.2Q273 L274 M403 M404Q273-A308 CarbonylContact C-O 3.59Å; Q273-A308 VanDerWaalsContact CA-O 3.28Å; Q273-A308 WeakPolarHBondContact CA-O 3.27Å; L274-A308 PolarHBondContact N-O 3.39Å; L274-A308 PolarHBondContact O-N 3.38Å; A308-M403 HydrophobicContact CB-CB 3.66Å; A308-M403 HydrophobicContact CB-SD 4.43Å; A308-M404 HydrophobicContact CB-CB 3.72Å; A308-M404 HydrophobicContact CB-CE 4.03Å
309A94.6Very high95.1Very high20 Ų2022.7 Ų22.717%0.16514%0.14CC..EExtended strand (participates in β ladder)trans-116.495.4-17500000111.1Q273 V307Q273-A309 HydrophobicContact CG-CB 4.15Å; V307-A309 HydrophobicContact CG2-CB 4.22Å
310S95.8Very high95.1Very high2 Ų223.3 Ų23.31%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-75.4131.4176174.30000111S271 A272 N312 E365 N399S271-S310 WeakPolarHBondContact CB-O 3.47Å; A272-S310 PolarHBondContact N-O 3.25Å; A272-S310 PolarHBondContact O-N 3.33Å; S310-N312 PolarHBondContact O-N 3.13Å; S310-N312 PolarHBondContact OG-N 3.17Å; S310-N312 PolarHBondContact OG-O 3.41Å; S310-E365 VanDerWaalsContact CA-OE2 3.31Å; S310-E365 WeakPolarHBondContact CA-OE2 3.19Å; S310-E365 PolarHBondContact OG-OE1 3.46Å; S310-E365 VanDerWaalsContact OG-OE1 3.07Å; S310-N399 PolarHBondContact OG-ND2 3.28Å
311L93.8Very high95Very high49 Ų4924 Ų2426%0.25715%0.147SC..SBendtrans-70.5-20.6169.2-66.2177.9000112N315 L363 E365 R366L311-N315 PolarHBondContact O-ND2 2.87Å; L311-N315 PolarHBondContact O-OD1 3.14Å; L311-L363 HydrophobicContact CB-CB 4.44Å; L311-E365 PolarHBondContact N-OE2 2.95Å; L311-R366 HydrophobicContact CD1-CG 4.31Å; L311-R366 HydrophobicContact CD2-CG 4.1Å; L311-R366 HydrophobicContact CG-CG 4.02Å
312N95.8Very high95.1Very high0 Ų024.3 Ų24.30%015%0.145CC..  trans-105.1109.8-175.3-56.2-84.1000109.9S310 N315 A316 P360 I362 L363 G364 E365S310-N312 PolarHBondContact O-N 3.13Å; S310-N312 PolarHBondContact OG-N 3.17Å; S310-N312 PolarHBondContact OG-O 3.41Å; N312-N315 WeakPolarHBondContact CA-OD1 3.27Å; N312-A316 HydrophobicContact CB-CB 4.4Å; N312-P360 WeakPolarHBondContact CB-O 3.4Å; N312-P360 PolarHBondContact OD1-O 3.4Å; N312-I362 PolarHBondContact OD1-N 3.08Å; N312-L363 WeakPolarHBondContact OD1-CB 3.42Å; N312-L363 PolarHBondContact OD1-N 2.83Å; N312-L363 VanDerWaalsContact OD1-N 3.07Å; N312-G364 PolarHBondContact ND2-O 2.95Å; N312-E365 PolarHBondContact ND2-OE1 2.76Å
313G96.5Very high95.2Very high0 Ų022 Ų220%013%0.126CC..SBendtrans-136.6-124.7178.600000110.5T270 N315 A316T270-G313 CarbonylContact O-C 3.57Å; G313-N315 PolarHBondContact N-OD1 3.36Å; G313-N315 PolarHBondContact O-N 3.31Å; G313-A316 PolarHBondContact O-N 2.82Å
314G95.6Very high95.1Very high8 Ų822 Ų228%0.08213%0.125CC..Hα-helixtrans-63.5-22173.500000113.9S269 T270 L317 A318S269-G314 WeakPolarHBondContact O-CA 3.31Å; S269-G314 PolarHBondContact O-N 3.3Å; T270-G314 PolarHBondContact O-N 3.07Å; T270-G314 VanDerWaalsContact O-N 3.14Å; G314-L317 PolarHBondContact O-N 2.78Å; G314-A318 WeakPolarHBondContact O-CB 3.41Å; G314-A318 PolarHBondContact O-N 3.42Å
315N94.9Very high94.9Very high31 Ų3123.1 Ų23.117%0.16613%0.133CC..Hα-helixtrans-62.2-40.6172.557.88.2000112.5T270 L311 N312 G313 L317 A318 T319 L363T270-N315 HydrophobicContact CG2-CB 3.97Å; T270-N315 WeakPolarHBondContact O-CB 3.46Å; T270-N315 PolarHBondContact O-N 3.31Å; T270-N315 PolarHBondContact O-ND2 2.93Å; T270-N315 PolarHBondContact O-OD1 3.17Å; L311-N315 PolarHBondContact O-ND2 2.87Å; L311-N315 PolarHBondContact O-OD1 3.14Å; N312-N315 WeakPolarHBondContact CA-OD1 3.27Å; G313-N315 PolarHBondContact N-OD1 3.36Å; G313-N315 PolarHBondContact O-N 3.31Å; N315-L317 VanDerWaalsContact C-N 3.31Å; N315-L317 PolarHBondContact O-N 3.27Å; N315-A318 PolarHBondContact O-N 2.85Å; N315-T319 PolarHBondContact O-N 3.03Å; N315-T319 PolarHBondContact O-OG1 3.4Å; N315-L363 WeakPolarHBondContact ND2-CD1 3.39Å
316A96.4Very high94.6Very high5 Ų525.2 Ų25.24%0.04115%0.151CC..Hα-helixtrans-65-38.6176.700000111.3N312 G313 F320 P360 I362N312-A316 HydrophobicContact CB-CB 4.4Å; G313-A316 PolarHBondContact O-N 2.82Å; A316-F320 PolarHBondContact O-N 3.23Å; A316-P360 HydrophobicContact CB-CB 4.05Å; A316-I362 HydrophobicContact CB-CD1 4.45Å; A316-I362 HydrophobicContact CB-CG1 4.44Å
317L96.3Very high94.5Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-64.3-45.6172.2-56.9-176.5000111.2G314 N315 F320 V321 Y341 F389 L392 V396G314-L317 PolarHBondContact O-N 2.78Å; N315-L317 VanDerWaalsContact C-N 3.31Å; N315-L317 PolarHBondContact O-N 3.27Å; L317-F320 WeakPolarHBondContact O-CB 3.31Å; L317-F320 PolarHBondContact O-N 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.29Å; L317-V321 VanDerWaalsContact O-N 3.11Å; L317-Y341 WeakPolarHBondContact CB-OH 3.14Å; L317-F389 HydrophobicContact CD2-CE2 4.42Å; L317-L392 HydrophobicContact CD2-CB 4.48Å; L317-L392 HydrophobicContact CD2-CD2 3.66Å; L317-L392 HydrophobicContact CD2-CG 3.63Å; L317-V396 HydrophobicContact CD2-CG2 4.24Å; L317-V396 HydrophobicContact CG-CG2 4.48Å
318A94.6Very high94.2Very high29 Ų2933.9 Ų33.924%0.2419%0.188CC..Hα-helixtrans-61-45.4178.300000112.1G314 N315 F320 V321 E322 Y341G314-A318 WeakPolarHBondContact O-CB 3.41Å; G314-A318 PolarHBondContact O-N 3.42Å; N315-A318 PolarHBondContact O-N 2.85Å; A318-F320 VanDerWaalsContact C-N 3.26Å; A318-F320 PolarHBondContact O-N 3.06Å; A318-V321 PolarHBondContact O-N 2.82Å; A318-E322 WeakPolarHBondContact O-CG 3.14Å; A318-E322 PolarHBondContact O-N 3.4Å; A318-Y341 PolarHBondContact N-OH 3.43Å
319T95.2Very high93.9Very high54 Ų5438.9 Ų38.933%0.33121%0.21SC..Hα-helixtrans-57.8-38.6175.9-60.10000112N315 T323 I362N315-T319 PolarHBondContact O-N 3.03Å; N315-T319 PolarHBondContact O-OG1 3.4Å; T319-T323 WeakPolarHBondContact O-CB 3.36Å; T319-T323 PolarHBondContact O-N 2.96Å; T319-T323 PolarHBondContact O-OG1 2.74Å; T319-I362 HydrophobicContact CG2-CD1 3.8Å
320F95Very high93.8Very high37 Ų3745.1 Ų45.116%0.16224%0.235CC..Hα-helixtrans-64.7-44.4174.5177.9-105.4000112.1A316 L317 A318 T323 L324 L344 V388 F389 L392A316-F320 PolarHBondContact O-N 3.23Å; L317-F320 WeakPolarHBondContact O-CB 3.31Å; L317-F320 PolarHBondContact O-N 3.29Å; A318-F320 VanDerWaalsContact C-N 3.26Å; A318-F320 PolarHBondContact O-N 3.06Å; F320-T323 PolarHBondContact O-N 2.7Å; F320-L324 HydrophobicContact CD1-CD1 3.95Å; F320-L324 HydrophobicContact CE1-CD1 3.38Å; F320-L324 HydrophobicContact CE1-CG 4.18Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CG 4.36Å; F320-L324 HydrophobicContact CZ-CD1 3.64Å; F320-L324 HydrophobicContact CZ-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CG 4.07Å; F320-L324 WeakPolarHBondContact O-CG 3.43Å; F320-L324 PolarHBondContact O-N 3.03Å; F320-L344 HydrophobicContact CE1-CD1 4.49Å; F320-L344 HydrophobicContact CE1-CD2 4.48Å; F320-V388 HydrophobicContact CE2-CG1 3.75Å; F320-V388 HydrophobicContact CZ-CB 4.43Å; F320-V388 HydrophobicContact CZ-CG1 3.65Å; F320-F389 AromaticContact CD1-CD2 3.8Å; F320-F389 HydrophobicContact CD1-CD2 3.8Å; F320-F389 HydrophobicContact CD1-CE2 4.37Å; F320-F389 HydrophobicContact CE1-CB 4.35Å; F320-F389 AromaticContact CE1-CD2 3.87Å; F320-F389 HydrophobicContact CE1-CD2 3.87Å; F320-L392 HydrophobicContact CB-CD2 3.58Å; F320-L392 HydrophobicContact CD1-CD2 4.06Å; F320-L392 HydrophobicContact CD2-CD2 4.44Å; F320-L392 HydrophobicContact CG-CD2 3.78Å
321V93.1Very high93.7Very high14 Ų1451.8 Ų51.89%0.08527%0.27CS..Hα-helixtrans-64.2-41.2177.1-179.40000112L317 A318 T323 L324 T325 L340 Y341 L344L317-V321 WeakPolarHBondContact O-CG2 3.46Å; L317-V321 PolarHBondContact O-N 3.29Å; L317-V321 VanDerWaalsContact O-N 3.11Å; A318-V321 PolarHBondContact O-N 2.82Å; V321-T323 VanDerWaalsContact C-N 3.34Å; V321-L324 PolarHBondContact O-N 3.39Å; V321-T325 PolarHBondContact O-N 2.75Å; V321-T325 PolarHBondContact O-OG1 2.95Å; V321-L340 HydrophobicContact CG1-CB 4.27Å; V321-L340 HydrophobicContact CG1-CD2 3.73Å; V321-L340 HydrophobicContact CG1-CG 3.99Å; V321-Y341 HydrophobicContact CB-CD2 4.14Å; V321-Y341 HydrophobicContact CB-CE2 4.11Å; V321-Y341 HydrophobicContact CG1-CD2 3.99Å; V321-Y341 HydrophobicContact CG1-CE2 4.45Å; V321-Y341 HydrophobicContact CG2-CD2 3.63Å; V321-Y341 HydrophobicContact CG2-CE2 3.53Å; V321-Y341 HydrophobicContact CG2-CG 4.26Å; V321-L344 HydrophobicContact CB-CD1 4.42Å; V321-L344 HydrophobicContact CG1-CD1 4.39Å; V321-L344 HydrophobicContact CG2-CD1 3.6Å
322E92.4Very high93.7Very high125 Ų12552.7 Ų52.758%0.58429%0.291SS*.Hα-helixtrans-62.9-41.8175.4-72.6167.1-175.200111.4A318 T325 A326A318-E322 WeakPolarHBondContact O-CG 3.14Å; A318-E322 PolarHBondContact O-N 3.4Å; E322-T325 WeakPolarHBondContact O-CB 3.21Å; E322-T325 PolarHBondContact O-N 2.94Å; E322-A326 PolarHBondContact O-N 2.91Å
323T92.9Very high93.2Very high50 Ų5056.8 Ų56.831%0.30732%0.316SS..Hα-helixtrans-63.6-45.1176.8-61.10000111.3T319 F320 V321 T325 A326 W327T319-T323 WeakPolarHBondContact O-CB 3.36Å; T319-T323 PolarHBondContact O-N 2.96Å; T319-T323 PolarHBondContact O-OG1 2.74Å; F320-T323 PolarHBondContact O-N 2.7Å; V321-T323 VanDerWaalsContact C-N 3.34Å; T323-T325 VanDerWaalsContact C-N 3.3Å; T323-T325 PolarHBondContact O-N 3.41Å; T323-A326 WeakPolarHBondContact O-CB 3.45Å; T323-A326 PolarHBondContact O-N 3.24Å; T323-W327 HydrophobicContact CG2-CD2 3.98Å; T323-W327 HydrophobicContact CG2-CE3 4.35Å; T323-W327 HydrophobicContact CG2-CH2 4Å; T323-W327 HydrophobicContact CG2-CZ2 3.58Å; T323-W327 HydrophobicContact CG2-CZ3 4.36Å; T323-W327 PolarHBondContact O-N 3.43Å
324L92.2Very high92.4Very high20 Ų2062.6 Ų62.611%0.10534%0.343CS..Hα-helixtrans-60.1-41.6174.2-74.3176.7000111.9F320 V321 A326 W327 T328 L340 L344 L385F320-L324 HydrophobicContact CD1-CD1 3.95Å; F320-L324 HydrophobicContact CE1-CD1 3.38Å; F320-L324 HydrophobicContact CE1-CG 4.18Å; F320-L324 HydrophobicContact CE2-CD1 4.38Å; F320-L324 HydrophobicContact CE2-CG 4.36Å; F320-L324 HydrophobicContact CZ-CD1 3.64Å; F320-L324 HydrophobicContact CZ-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CG 4.07Å; F320-L324 WeakPolarHBondContact O-CG 3.43Å; F320-L324 PolarHBondContact O-N 3.03Å; V321-L324 PolarHBondContact O-N 3.39Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.38Å; L324-W327 HydrophobicContact CD2-CE3 4.05Å; L324-W327 HydrophobicContact CD2-CZ3 4.3Å; L324-W327 PolarHBondContact O-N 3.07Å; L324-T328 WeakPolarHBondContact O-CG2 3.38Å; L324-T328 PolarHBondContact O-N 2.93Å; L324-T328 PolarHBondContact O-OG1 3.08Å; L324-L340 HydrophobicContact CB-CD2 4.4Å; L324-L344 HydrophobicContact CD1-CD1 3.76Å; L324-L344 HydrophobicContact CD1-CD2 3.77Å; L324-L344 HydrophobicContact CD1-CG 4.39Å; L324-L385 HydrophobicContact CD1-CD2 4Å; L324-L385 HydrophobicContact CD2-CD2 3.77Å
325T90.5Very high91.2Very high36 Ų3664.4 Ų64.422%0.22135%0.353CS..Hα-helixtrans-60-45.1175.8-56.70000110.8V321 E322 T323 T328 K329 P335 L340V321-T325 PolarHBondContact O-N 2.75Å; V321-T325 PolarHBondContact O-OG1 2.95Å; E322-T325 WeakPolarHBondContact O-CB 3.21Å; E322-T325 PolarHBondContact O-N 2.94Å; T323-T325 VanDerWaalsContact C-N 3.3Å; T323-T325 PolarHBondContact O-N 3.41Å; T325-T328 WeakPolarHBondContact CA-OG1 3.32Å; T325-T328 PolarHBondContact O-N 2.79Å; T325-T328 PolarHBondContact O-OG1 3.24Å; T325-K329 WeakPolarHBondContact O-CG 3.31Å; T325-K329 PolarHBondContact O-N 3.48Å; T325-P335 HydrophobicContact CG2-CG 3.87Å; T325-L340 VanDerWaalsContact OG1-CD2 3.27Å; T325-L340 WeakPolarHBondContact OG1-CD2 3.34Å
326A91.6Very high89.7Confident45 Ų4574.5 Ų74.537%0.37239%0.389SS..Hα-helixtrans-61.4-48.9176.700000111.9E322 T323 L324 T328 K329 E330E322-A326 PolarHBondContact O-N 2.91Å; T323-A326 WeakPolarHBondContact O-CB 3.45Å; T323-A326 PolarHBondContact O-N 3.24Å; L324-A326 VanDerWaalsContact C-N 3.33Å; L324-A326 PolarHBondContact O-N 3.38Å; A326-T328 VanDerWaalsContact C-N 3.34Å; A326-T328 PolarHBondContact O-N 3.49Å; A326-K329 WeakPolarHBondContact O-CB 3.47Å; A326-K329 PolarHBondContact O-N 3.2Å; A326-K329 VanDerWaalsContact O-N 3.11Å; A326-E330 PolarHBondContact O-N 3.37Å
327W93.9Very high88Confident140 Ų14078.5 Ų78.553%0.5341%0.41SS..Hα-helixtrans-61.4-38.1177.8-68.3-17.1000113.2T323 L324 K329 E330 L331T323-W327 HydrophobicContact CG2-CD2 3.98Å; T323-W327 HydrophobicContact CG2-CE3 4.35Å; T323-W327 HydrophobicContact CG2-CH2 4Å; T323-W327 HydrophobicContact CG2-CZ2 3.58Å; T323-W327 HydrophobicContact CG2-CZ3 4.36Å; T323-W327 PolarHBondContact O-N 3.43Å; L324-W327 HydrophobicContact CD2-CE3 4.05Å; L324-W327 HydrophobicContact CD2-CZ3 4.3Å; L324-W327 PolarHBondContact O-N 3.07Å; W327-K329 VanDerWaalsContact C-N 3.29Å; W327-K329 PolarHBondContact O-N 3.29Å; W327-E330 PolarHBondContact O-N 3.41Å; W327-L331 WeakPolarHBondContact O-CG 3.15Å; W327-L331 PolarHBondContact O-N 3.2Å; W327-L331 VanDerWaalsContact O-N 3.07Å
328T89.8Confident86.5Confident46 Ų4684.4 Ų84.428%0.28245%0.451SS..Hα-helixtrans-61.4-39.7175.150.50000112.2L324 T325 A326 L331 G332 V333L324-T328 WeakPolarHBondContact O-CG2 3.38Å; L324-T328 PolarHBondContact O-N 2.93Å; L324-T328 PolarHBondContact O-OG1 3.08Å; T325-T328 WeakPolarHBondContact CA-OG1 3.32Å; T325-T328 PolarHBondContact O-N 2.79Å; T325-T328 PolarHBondContact O-OG1 3.24Å; A326-T328 VanDerWaalsContact C-N 3.34Å; A326-T328 PolarHBondContact O-N 3.49Å; T328-L331 PolarHBondContact O-N 3.25Å; T328-G332 PolarHBondContact O-N 3.37Å; T328-V333 CarbonylContact C-O 3.46Å; T328-V333 CarbonylContact O-C 3.6Å; T328-V333 WeakPolarHBondContact O-CA 3.44Å; T328-V333 WeakPolarHBondContact O-CB 3.36Å; T328-V333 PolarHBondContact O-N 2.99Å
329K90.3Very high85.8Confident105 Ų10585 Ų8546%0.45745%0.453SS..Hα-helixtrans-66.8-41.3175.8-70.1178.1174.9-177.90112.2T325 A326 W327 L331 G332 V333T325-K329 WeakPolarHBondContact O-CG 3.31Å; T325-K329 PolarHBondContact O-N 3.48Å; A326-K329 WeakPolarHBondContact O-CB 3.47Å; A326-K329 PolarHBondContact O-N 3.2Å; A326-K329 VanDerWaalsContact O-N 3.11Å; W327-K329 VanDerWaalsContact C-N 3.29Å; W327-K329 PolarHBondContact O-N 3.29Å; K329-L331 PolarHBondContact O-N 3.06Å; K329-G332 WeakPolarHBondContact O-CA 3.38Å; K329-G332 PolarHBondContact O-N 3.36Å; K329-V333 PolarHBondContact N-O 3.23Å
330E94.1Very high85.3Confident151 Ų15184.4 Ų84.471%0.70645%0.447SS*.Hα-helixtrans-58.9-33174.4-71.8174-158.300112.2A326 W327 G332A326-E330 PolarHBondContact O-N 3.37Å; W327-E330 PolarHBondContact O-N 3.41Å; E330-G332 PolarHBondContact O-N 3.17Å
331L93.7Very high85.1Confident143 Ų14386.1 Ų86.175%0.74945%0.453SS*.THydrogen-bonded Turntrans-81.34.9174.3-65.7173.6000113.9W327 T328 K329 V333W327-L331 WeakPolarHBondContact O-CG 3.15Å; W327-L331 PolarHBondContact O-N 3.2Å; W327-L331 VanDerWaalsContact O-N 3.07Å; T328-L331 PolarHBondContact O-N 3.25Å; K329-L331 PolarHBondContact O-N 3.06Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.46Å
332G92Very high85Confident67 Ų6791.8 Ų91.869%0.69148%0.479SS*.THydrogen-bonded Turntrans76.314.8-179.800000114.4T328 K329 E330T328-G332 PolarHBondContact O-N 3.37Å; K329-G332 WeakPolarHBondContact O-CA 3.38Å; K329-G332 PolarHBondContact O-N 3.36Å; E330-G332 PolarHBondContact O-N 3.17Å
333V86.4Confident85Confident86 Ų8691 Ų9152%0.52147%0.474SS..  trans-101.6109175.4-177.40000108.4T328 K329 L331 P335T328-V333 CarbonylContact C-O 3.46Å; T328-V333 CarbonylContact O-C 3.6Å; T328-V333 WeakPolarHBondContact O-CA 3.44Å; T328-V333 WeakPolarHBondContact O-CB 3.36Å; T328-V333 PolarHBondContact O-N 2.99Å; K329-V333 PolarHBondContact N-O 3.23Å; L331-V333 VanDerWaalsContact C-N 3.31Å; L331-V333 PolarHBondContact O-N 3.46Å; V333-P335 WeakPolarHBondContact O-CD 3.46Å
334E79.4Confident85Confident122 Ų12288.8 Ų88.857%0.5746%0.46SS*.  trans-77.5112.7171-75.8-62.315300109.6R336E334-R336 PolarHBondContact O-N 3.39Å
335P70.2Confident85.2Confident46 Ų4689 Ų8930%0.29946%0.461SS..  trans-66.5104.7174.624.6-27.7000108.6T325 V333 D337T325-P335 HydrophobicContact CG2-CG 3.87Å; V333-P335 WeakPolarHBondContact O-CD 3.46Å; P335-D337 PolarHBondContact O-N 3.37Å
336R63.9Low85.4Confident244 Ų24488.7 Ų88.792%0.92147%0.465SS*.  trans-74.2-13.8179.2-63.8-174.7-177.4-176.90.3113.4E334E334-R336 PolarHBondContact O-N 3.39Å
337D61Low85.7Confident88 Ų8888.6 Ų88.647%0.47146%0.462SS..  trans-104.5127.6-173.6-88.2-29.8000112.5P335 C339 K343P335-D337 PolarHBondContact O-N 3.37Å; D337-C339 HydrophobicContact CB-CB 4.49Å; D337-C339 PolarHBondContact O-N 3.01Å; D337-K343 WeakPolarHBondContact OD2-CE 3.28Å; D337-K343 IonicContact OD2-NZ 2.72Å; D337-K343 PolarHBondContact OD2-NZ 3.06Å
338S65.1Low85.8Confident124 Ų12482 Ų8287%0.86744%0.436SS*.THydrogen-bonded Turntrans-68.1-5.816547.50000113.4L340S338-L340 PolarHBondContact O-N 2.75Å
339C78.3Confident86.2Confident41 Ų4182.5 Ų82.528%0.27744%0.437SS..THydrogen-bonded Turntrans-92.819.6-174.7-61.30000114.7D337 Y341 E342 K343D337-C339 HydrophobicContact CB-CB 4.49Å; D337-C339 PolarHBondContact O-N 3.01Å; C339-Y341 PolarHBondContact O-N 2.88Å; C339-E342 HydrophobicContact CB-CB 4.45Å; C339-E342 WeakPolarHBondContact CB-OE2 3.34Å; C339-E342 PolarHBondContact O-N 3.09Å; C339-E342 VanDerWaalsContact O-N 3.11Å; C339-E342 PolarHBondContact SG-OE2 3.32Å; C339-E342 VanDerWaalsContact SG-OE2 3.39Å; C339-K343 PolarHBondContact O-N 3.18Å; C339-K343 VanDerWaalsContact O-N 3.1Å
340L85.9Confident86.5Confident42 Ų4283.7 Ų83.722%0.2245%0.449CS..Hα-helixtrans-56.2-38-178.1-176.160.2000112.2V321 L324 T325 S338 K343 L344V321-L340 HydrophobicContact CG1-CB 4.27Å; V321-L340 HydrophobicContact CG1-CD2 3.73Å; V321-L340 HydrophobicContact CG1-CG 3.99Å; L324-L340 HydrophobicContact CB-CD2 4.4Å; T325-L340 VanDerWaalsContact OG1-CD2 3.27Å; T325-L340 WeakPolarHBondContact OG1-CD2 3.34Å; S338-L340 PolarHBondContact O-N 2.75Å; L340-K343 PolarHBondContact O-N 2.81Å; L340-L344 HydrophobicContact CG-CD1 4.17Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.66Å
341Y89.6Confident86.5Confident74 Ų7479 Ų7929%0.2943%0.427SS..Hα-helixtrans-59.3-47.2176.3-128.3-77.2000112.5L317 A318 V321 C339 K343 L344 I345 F389L317-Y341 WeakPolarHBondContact CB-OH 3.14Å; A318-Y341 PolarHBondContact N-OH 3.43Å; V321-Y341 HydrophobicContact CB-CD2 4.14Å; V321-Y341 HydrophobicContact CB-CE2 4.11Å; V321-Y341 HydrophobicContact CG1-CD2 3.99Å; V321-Y341 HydrophobicContact CG1-CE2 4.45Å; V321-Y341 HydrophobicContact CG2-CD2 3.63Å; V321-Y341 HydrophobicContact CG2-CE2 3.53Å; V321-Y341 HydrophobicContact CG2-CG 4.26Å; C339-Y341 PolarHBondContact O-N 2.88Å; Y341-K343 PolarHBondContact O-N 3.44Å; Y341-L344 PolarHBondContact O-N 3.37Å; Y341-I345 HydrophobicContact CD1-CD1 4.06Å; Y341-I345 WeakPolarHBondContact O-CG1 3.44Å; Y341-I345 PolarHBondContact O-N 2.96Å; Y341-F389 HydrophobicContact CE1-CZ 4.2Å
342E91.2Very high86.2Confident132 Ų13280.4 Ų80.462%0.61743%0.429SS*.Hα-helixtrans-64.9-40.1-180-64.6173.4172.700111.3C339 L344 I345 G346C339-E342 HydrophobicContact CB-CB 4.45Å; C339-E342 WeakPolarHBondContact CB-OE2 3.34Å; C339-E342 PolarHBondContact O-N 3.09Å; C339-E342 VanDerWaalsContact O-N 3.11Å; C339-E342 PolarHBondContact SG-OE2 3.32Å; C339-E342 VanDerWaalsContact SG-OE2 3.39Å; E342-L344 PolarHBondContact O-N 3.36Å; E342-I345 PolarHBondContact O-N 2.81Å; E342-G346 PolarHBondContact O-N 2.99Å
343K92.1Very high86Confident110 Ų11080.8 Ų80.848%0.47842%0.421SS..Hα-helixtrans-65-38.6176.2-68.3-178.9-176.7178.50112.3D337 C339 L340 Y341 G346 S347D337-K343 WeakPolarHBondContact OD2-CE 3.28Å; D337-K343 IonicContact OD2-NZ 2.72Å; D337-K343 PolarHBondContact OD2-NZ 3.06Å; C339-K343 PolarHBondContact O-N 3.18Å; C339-K343 VanDerWaalsContact O-N 3.1Å; L340-K343 PolarHBondContact O-N 2.81Å; Y341-K343 PolarHBondContact O-N 3.44Å; K343-G346 PolarHBondContact O-N 3.15Å; K343-S347 WeakPolarHBondContact O-CB 3.39Å; K343-S347 PolarHBondContact O-N 3.38Å; K343-S347 PolarHBondContact O-OG 3.22Å
344L93.9Very high86.3Confident3 Ų376.9 Ų76.92%0.01640%0.398CS..Hα-helixtrans-67-43.5175.9-74.5169.5000111.6F320 V321 L324 L340 Y341 E342 G346 S347 A348 L385 F389F320-L344 HydrophobicContact CE1-CD1 4.49Å; F320-L344 HydrophobicContact CE1-CD2 4.48Å; V321-L344 HydrophobicContact CB-CD1 4.42Å; V321-L344 HydrophobicContact CG1-CD1 4.39Å; V321-L344 HydrophobicContact CG2-CD1 3.6Å; L324-L344 HydrophobicContact CD1-CD1 3.76Å; L324-L344 HydrophobicContact CD1-CD2 3.77Å; L324-L344 HydrophobicContact CD1-CG 4.39Å; L340-L344 HydrophobicContact CG-CD1 4.17Å; L340-L344 WeakPolarHBondContact O-CG 3.48Å; L340-L344 PolarHBondContact O-N 2.66Å; Y341-L344 PolarHBondContact O-N 3.37Å; E342-L344 PolarHBondContact O-N 3.36Å; L344-G346 PolarHBondContact O-N 3.22Å; L344-S347 PolarHBondContact O-N 3.48Å; L344-A348 WeakPolarHBondContact O-CB 3.5Å; L344-A348 PolarHBondContact O-N 3.04Å; L344-L385 HydrophobicContact CD2-CB 4.22Å; L344-L385 HydrophobicContact CD2-CD1 4.43Å; L344-L385 HydrophobicContact CD2-CD2 4.47Å; L344-F389 HydrophobicContact CB-CD1 4.23Å; L344-F389 HydrophobicContact CB-CD2 4.28Å; L344-F389 HydrophobicContact CB-CE1 4.37Å; L344-F389 HydrophobicContact CB-CE2 4.41Å; L344-F389 HydrophobicContact CB-CG 4.19Å; L344-F389 HydrophobicContact CB-CZ 4.44Å; L344-F389 HydrophobicContact CD1-CD2 4.49Å
345I95.7Very high87Confident23 Ų2374.7 Ų74.712%0.11839%0.39CS..Hα-helixtrans-57.2-50.4172.7-69.3165.1000109.8Y341 E342 S347 A348 L349 F389 N427 V429Y341-I345 HydrophobicContact CD1-CD1 4.06Å; Y341-I345 WeakPolarHBondContact O-CG1 3.44Å; Y341-I345 PolarHBondContact O-N 2.96Å; E342-I345 PolarHBondContact O-N 2.81Å; I345-S347 VanDerWaalsContact C-N 3.33Å; I345-S347 PolarHBondContact O-N 2.84Å; I345-A348 PolarHBondContact O-N 2.96Å; I345-L349 HydrophobicContact CG2-CD1 3.95Å; I345-L349 HydrophobicContact CG2-CG 4.36Å; I345-L349 WeakPolarHBondContact O-CG 3.43Å; I345-L349 PolarHBondContact O-N 2.89Å; I345-F389 HydrophobicContact CG1-CE1 3.81Å; I345-F389 HydrophobicContact CG1-CZ 4.32Å; I345-N427 HydrophobicContact CD1-CB 4.25Å; I345-V429 HydrophobicContact CG2-CG2 4.33Å
346G96.4Very high88.3Confident30 Ų3072.6 Ų72.631%0.30938%0.377SS..Hα-helixtrans-58.7-42.2177.500000113.2E342 K343 L344 A348 L349 N350E342-G346 PolarHBondContact O-N 2.99Å; K343-G346 PolarHBondContact O-N 3.15Å; L344-G346 PolarHBondContact O-N 3.22Å; G346-A348 VanDerWaalsContact C-N 3.33Å; G346-A348 PolarHBondContact O-N 2.95Å; G346-L349 PolarHBondContact O-N 2.94Å; G346-N350 PolarHBondContact O-N 3.07Å; G346-N350 PolarHBondContact O-ND2 2.78Å
347S96.5Very high89.9Confident44 Ų4465.1 Ų65.131%0.30835%0.353SS..Hα-helixtrans-64-37.7177.5-60.60000112.5K343 L344 I345 N350 G386K343-S347 WeakPolarHBondContact O-CB 3.39Å; K343-S347 PolarHBondContact O-N 3.38Å; K343-S347 PolarHBondContact O-OG 3.22Å; L344-S347 PolarHBondContact O-N 3.48Å; I345-S347 VanDerWaalsContact C-N 3.33Å; I345-S347 PolarHBondContact O-N 2.84Å; S347-N350 PolarHBondContact O-N 2.94Å; S347-G386 WeakPolarHBondContact O-CA 3.31Å
348A97.3Very high91.7Very high0 Ų061.9 Ų61.90%034%0.336CS..Hα-helixtrans-76.2-31.3177.300000113.1L344 I345 G346 N350 Q351 G386 F389 R390 V429L344-A348 WeakPolarHBondContact O-CB 3.5Å; L344-A348 PolarHBondContact O-N 3.04Å; I345-A348 PolarHBondContact O-N 2.96Å; G346-A348 VanDerWaalsContact C-N 3.33Å; G346-A348 PolarHBondContact O-N 2.95Å; A348-N350 VanDerWaalsContact C-N 3.25Å; A348-N350 PolarHBondContact O-N 3.34Å; A348-Q351 PolarHBondContact O-N 3.5Å; A348-Q351 VanDerWaalsContact O-N 3.09Å; A348-G386 WeakPolarHBondContact CB-O 3.45Å; A348-F389 HydrophobicContact CB-CB 4.24Å; A348-F389 HydrophobicContact CB-CD1 3.79Å; A348-R390 HydrophobicContact CB-CB 4.14Å; A348-R390 PolarHBondContact O-NE 3.25Å; A348-R390 VanDerWaalsContact O-NE 3.11Å; A348-R390 PolarHBondContact O-NH2 2.65Å; A348-R390 VanDerWaalsContact O-NH2 3.1Å; A348-V429 HydrophobicContact CB-CG1 4.26Å; A348-V429 HydrophobicContact CB-CG2 3.73Å
349L97.3Very high93.2Very high57 Ų5757.9 Ų57.930%0.29831%0.308SS..Hα-helixtrans-64.4-30.7171.1-72.2171.6000112.1I345 G346 Q351 E428 V429I345-L349 HydrophobicContact CG2-CD1 3.95Å; I345-L349 HydrophobicContact CG2-CG 4.36Å; I345-L349 WeakPolarHBondContact O-CG 3.43Å; I345-L349 PolarHBondContact O-N 2.89Å; G346-L349 PolarHBondContact O-N 2.94Å; L349-Q351 PolarHBondContact O-N 2.86Å; L349-E428 HydrophobicContact CD1-CB 4.47Å; L349-E428 HydrophobicContact CD2-CB 4.26Å; L349-E428 HydrophobicContact CD2-CG 4.08Å; L349-V429 HydrophobicContact CD2-CG2 3.72Å; L349-V429 HydrophobicContact CG-CG2 3.74Å
350N96.3Very high94Very high131 Ų13156.1 Ų56.170%0.70130%0.297SS*.THydrogen-bonded Turntrans-70.5-7.4173-66.9-27.7000113.9G346 S347 A348G346-N350 PolarHBondContact O-N 3.07Å; G346-N350 PolarHBondContact O-ND2 2.78Å; S347-N350 PolarHBondContact O-N 2.94Å; A348-N350 VanDerWaalsContact C-N 3.25Å; A348-N350 PolarHBondContact O-N 3.34Å
351Q94.9Very high94.5Very high52 Ų5254.2 Ų54.224%0.24329%0.287CS..  trans-105.9121.9171.8-51.8-48.7-51.400108.6A348 L349 S353 H387 R390A348-Q351 PolarHBondContact O-N 3.5Å; A348-Q351 VanDerWaalsContact O-N 3.09Å; L349-Q351 PolarHBondContact O-N 2.86Å; Q351-S353 VanDerWaalsContact C-N 3.32Å; Q351-H387 PolarHBondContact OE1-CE1 3.42Å; Q351-H387 PolarHBondContact OE1-ND1 3.03Å; Q351-H387 PolarHBondContact OE1-NE2 3.48Å; Q351-R390 VanDerWaalsContact O-CZ 3.24Å; Q351-R390 PolarHBondContact O-NE 3.21Å; Q351-R390 PolarHBondContact O-NH2 3.32Å
352E87.3Confident94.7Very high172 Ų17254.3 Ų54.380%0.80429%0.291SS*.SBendtrans-66-38.9177-67.4-171.9167.400111.5R436E352-R436 PolarHBondContact O-NH1 3.22Å; E352-R436 PolarHBondContact O-NH2 3.04Å
353S88Confident94.7Very high75 Ų7552.7 Ų52.752%0.52429%0.287SS..  trans-148.9170-179.873.50000111Q351 H387Q351-S353 VanDerWaalsContact C-N 3.32Å; S353-H387 PolarHBondContact O-CD2 2.92Å
354S91.6Very high94.7Very high4 Ų447.5 Ų47.53%0.02826%0.264CS..  trans-140.2137165.8178.60000108.4L356 H387 R394S354-L356 VanDerWaalsContact C-N 3.35Å; S354-L356 WeakPolarHBondContact OG-CB 3.31Å; S354-L356 PolarHBondContact OG-N 3.07Å; S354-H387 PolarHBondContact OG-O 2.81Å; S354-R394 PolarHBondContact O-NH1 2.92Å; S354-R394 PolarHBondContact O-NH2 3.39Å
355D94.9Very high94.7Very high77 Ų7747.6 Ų47.641%0.41227%0.265SS..  trans-88.2-6.6171.766.1-22.1000112.3M357 N377 N382D355-M357 PolarHBondContact O-N 3.31Å; D355-N377 PolarHBondContact O-ND2 3.2Å; D355-N377 PolarHBondContact OD2-ND2 3.03Å; D355-N382 WeakPolarHBondContact OD1-CB 3.47Å; D355-N382 PolarHBondContact OD1-ND2 3.11Å
356L97.8Very high94.3Very high2 Ų253.5 Ų53.51%0.0129%0.285CS..  trans-64.7127.9174.1-173.575000110.3S354 V358 V375 I378 N382 V388 A391 R394S354-L356 VanDerWaalsContact C-N 3.35Å; S354-L356 WeakPolarHBondContact OG-CB 3.31Å; S354-L356 PolarHBondContact OG-N 3.07Å; L356-V358 HydrophobicContact CD2-CG2 4.25Å; L356-V358 HydrophobicContact CG-CG2 4.43Å; L356-V375 HydrophobicContact CD1-CG1 3.64Å; L356-V375 HydrophobicContact CD2-CG1 4.18Å; L356-V375 HydrophobicContact CG-CG1 3.96Å; L356-I378 HydrophobicContact CD1-CB 4.39Å; L356-I378 HydrophobicContact CD1-CG1 3.74Å; L356-N382 HydrophobicContact CB-CB 4.27Å; L356-V388 HydrophobicContact CD2-CB 4.33Å; L356-V388 HydrophobicContact CD2-CG2 3.84Å; L356-A391 HydrophobicContact CB-CB 3.96Å; L356-A391 HydrophobicContact CD2-CB 4.08Å; L356-A391 HydrophobicContact CG-CB 4.26Å; L356-A391 WeakPolarHBondContact O-CB 3.49Å; L356-R394 PolarHBondContact O-NH2 3.13Å
357M97.3Very high93.8Very high86 Ų8654.9 Ų54.942%0.42428%0.284SS..EExtended strand (participates in β ladder)trans-104.1122.4-177.7-65.6-59.2-67.700110.2D355 V375 T376 N377 R394D355-M357 PolarHBondContact O-N 3.31Å; M357-V375 CarbonylContact O-C 3.55Å; M357-V375 WeakPolarHBondContact O-CA 3.47Å; M357-T376 WeakPolarHBondContact CB-OG1 3.18Å; M357-T376 PolarHBondContact N-O 2.9Å; M357-T376 PolarHBondContact O-N 2.77Å; M357-N377 HydrophobicContact CG-CB 4.45Å; M357-R394 PolarHBondContact SD-NH2 3.38Å; M357-R394 VanDerWaalsContact SD-NH2 3.35Å
358V97.9Very high93.5Very high20 Ų2054.2 Ų54.212%0.12128%0.281CS..EExtended strand (participates in β ladder)trans-119.3120.9179.3-179.30000109.2L356 Q374 V375 A391 L392 G395L356-V358 HydrophobicContact CD2-CG2 4.25Å; L356-V358 HydrophobicContact CG-CG2 4.43Å; V358-Q374 CarbonylContact C-O 3.5Å; V358-Q374 WeakPolarHBondContact CA-O 3.45Å; V358-V375 HydrophobicContact CG2-CG1 4.33Å; V358-V375 HydrophobicContact CG2-CG2 4.29Å; V358-A391 HydrophobicContact CG2-CB 3.79Å; V358-L392 HydrophobicContact CG1-CB 4.4Å; V358-L392 HydrophobicContact CG1-CD1 3.61Å; V358-G395 WeakPolarHBondContact O-CA 3.2Å
359S97.2Very high93.1Very high40 Ų4058.7 Ų58.728%0.2831%0.31SS..EExtended strand (participates in β ladder)trans-92.7113.4163.4-176.70000108.2T361 G373 Q374S359-T361 PolarHBondContact O-N 2.94Å; S359-T361 PolarHBondContact OG-OG1 3.41Å; S359-G373 CarbonylContact O-C 3.18Å; S359-G373 WeakPolarHBondContact O-CA 3.26Å; S359-Q374 PolarHBondContact N-O 2.97Å; S359-Q374 PolarHBondContact O-N 3.26Å
360P95.4Very high92.7Very high4 Ų463.7 Ų63.73%0.02634%0.336CS..  trans-88.221.1-172.138.7-39.6000113.1N312 A316 I362 L392 G395 V396 N399N312-P360 WeakPolarHBondContact CB-O 3.4Å; N312-P360 PolarHBondContact OD1-O 3.4Å; A316-P360 HydrophobicContact CB-CB 4.05Å; P360-I362 PolarHBondContact O-N 2.77Å; P360-L392 HydrophobicContact CB-CD1 3.92Å; P360-G395 WeakPolarHBondContact CD-O 3.36Å; P360-V396 HydrophobicContact CB-CG2 4.11Å; P360-V396 HydrophobicContact CG-CG2 3.99Å; P360-N399 HydrophobicContact CG-CB 4.43Å
361T95.4Very high92.4Very high2 Ų260.2 Ų60.21%0.01232%0.322CS..  trans-73.440.3-17349.60000113.9S359 L363 G364 E365 L372 G373S359-T361 PolarHBondContact O-N 2.94Å; S359-T361 PolarHBondContact OG-OG1 3.41Å; T361-L363 PolarHBondContact O-N 3.43Å; T361-G364 PolarHBondContact O-N 2.84Å; T361-G364 VanDerWaalsContact O-N 3.08Å; T361-E365 HydrophobicContact CG2-CG 4Å; T361-L372 CarbonylContact O-C 3.51Å; T361-L372 WeakPolarHBondContact O-CA 3.15Å; T361-L372 PolarHBondContact OG1-O 3.46Å; T361-L372 VanDerWaalsContact OG1-O 3.09Å; T361-G373 PolarHBondContact O-N 3.02Å; T361-G373 PolarHBondContact OG1-N 3.07Å
362I94.1Very high92.3Very high76 Ų7663.5 Ų63.539%0.3934%0.34SS..THydrogen-bonded Turntrans-66-18.3-175.556.5158.9000113.7N312 A316 T319 P360N312-I362 PolarHBondContact OD1-N 3.08Å; A316-I362 HydrophobicContact CB-CD1 4.45Å; A316-I362 HydrophobicContact CB-CG1 4.44Å; T319-I362 HydrophobicContact CG2-CD1 3.8Å; P360-I362 PolarHBondContact O-N 2.77Å
363L91.6Very high92.7Very high99 Ų9957 Ų5752%0.51832%0.319SS..THydrogen-bonded Turntrans-1027.2175.5-58.4178.7000113.7L311 N312 N315 T361L311-L363 HydrophobicContact CB-CB 4.44Å; N312-L363 WeakPolarHBondContact OD1-CB 3.42Å; N312-L363 PolarHBondContact OD1-N 2.83Å; N312-L363 VanDerWaalsContact OD1-N 3.07Å; N315-L363 WeakPolarHBondContact ND2-CD1 3.39Å; T361-L363 PolarHBondContact O-N 3.43Å
364G92.7Very high93.1Very high1 Ų159.3 Ų59.31%0.0132%0.322CS..  trans70.1-178.5-164.100000112.3N312 T361 C371N312-G364 PolarHBondContact ND2-O 2.95Å; T361-G364 PolarHBondContact O-N 2.84Å; T361-G364 VanDerWaalsContact O-N 3.08Å; G364-C371 VanDerWaalsContact CA-O 3.27Å; G364-C371 WeakPolarHBondContact CA-O 3.03Å
365E92.4Very high93.4Very high4 Ų462.6 Ų62.62%0.01934%0.342CS..  trans-126.5159.5169-70.8-60.3168.800111.9S310 L311 N312 T361 H367 A368 P369 N399 M403S310-E365 VanDerWaalsContact CA-OE2 3.31Å; S310-E365 WeakPolarHBondContact CA-OE2 3.19Å; S310-E365 PolarHBondContact OG-OE1 3.46Å; S310-E365 VanDerWaalsContact OG-OE1 3.07Å; L311-E365 PolarHBondContact N-OE2 2.95Å; N312-E365 PolarHBondContact ND2-OE1 2.76Å; T361-E365 HydrophobicContact CG2-CG 4Å; E365-H367 VanDerWaalsContact C-N 3.26Å; E365-H367 PolarHBondContact O-N 3.46Å; E365-A368 HydrophobicContact CB-CB 4.41Å; E365-A368 PolarHBondContact N-O 3.05Å; E365-A368 VanDerWaalsContact N-O 3.1Å; E365-A368 CarbonylContact O-C 3.55Å; E365-A368 PolarHBondContact O-N 2.93Å; E365-P369 WeakPolarHBondContact O-CA 3.46Å; E365-N399 PolarHBondContact OE1-ND2 2.87Å; E365-M403 HydrophobicContact CB-CE 4.23Å; E365-M403 HydrophobicContact CG-CE 3.53Å; E365-M403 WeakPolarHBondContact OE1-CE 3.46Å; E365-M403 WeakPolarHBondContact OE2-CE 3.49Å
366R87.1Confident93.5Very high147 Ų14761.6 Ų61.656%0.55534%0.338SS*.SBendtrans-57.4-41.1-178.7-62.7-180-177.4-901.4112.6L311L311-R366 HydrophobicContact CD1-CG 4.31Å; L311-R366 HydrophobicContact CD2-CG 4.1Å; L311-R366 HydrophobicContact CG-CG 4.02Å
367H87.6Confident93.5Very high59 Ų5965.9 Ų65.927%0.27336%0.361SS..SBendtrans-88.2-11.8178.966.3-83.4000113S292 E365S292-H367 WeakPolarHBondContact O-CB 3.41Å; E365-H367 VanDerWaalsContact C-N 3.26Å; E365-H367 PolarHBondContact O-N 3.46Å
368A89.9Confident93.5Very high31 Ų3166.9 Ų66.926%0.25637%0.367SS..  trans-146.468.7-177.400000110.8E365 L370 C371E365-A368 HydrophobicContact CB-CB 4.41Å; E365-A368 PolarHBondContact N-O 3.05Å; E365-A368 VanDerWaalsContact N-O 3.1Å; E365-A368 CarbonylContact O-C 3.55Å; E365-A368 PolarHBondContact O-N 2.93Å; A368-L370 PolarHBondContact O-N 3.2Å; A368-L370 VanDerWaalsContact O-N 3.16Å; A368-C371 HydrophobicContact CB-CB 4.04Å; A368-C371 WeakPolarHBondContact O-CB 3.45Å; A368-C371 PolarHBondContact O-N 2.94Å; A368-C371 VanDerWaalsContact O-N 3.09Å
369P87.5Confident93.5Very high94 Ų9467.7 Ų67.761%0.6137%0.373SS*.THydrogen-bonded Turntrans-68.4-19.4-16825.5-35.4000114.1E365E365-P369 WeakPolarHBondContact O-CA 3.46Å
370L90.2Very high93.3Very high162 Ų16271 Ų7185%0.84840%0.403SS*.THydrogen-bonded Turntrans-93.5-3.4178.3-58.1-179.7000113.2A368 L372A368-L370 PolarHBondContact O-N 3.2Å; A368-L370 VanDerWaalsContact O-N 3.16Å; L370-L372 PolarHBondContact O-N 3.33Å
371C89.9Confident93.3Very high58 Ų5875.1 Ų75.139%0.39243%0.432SS..  trans-73.2120.1176.5-176.60000109.4G364 A368G364-C371 VanDerWaalsContact CA-O 3.27Å; G364-C371 WeakPolarHBondContact CA-O 3.03Å; A368-C371 HydrophobicContact CB-CB 4.04Å; A368-C371 WeakPolarHBondContact O-CB 3.45Å; A368-C371 PolarHBondContact O-N 2.94Å; A368-C371 VanDerWaalsContact O-N 3.09Å
372L93.4Very high93.3Very high121 Ų12175 Ų7563%0.63443%0.432SS*.  trans-109.2161.7-179.8-62.9179.1000111.7T361 L370T361-L372 CarbonylContact O-C 3.51Å; T361-L372 WeakPolarHBondContact O-CA 3.15Å; T361-L372 PolarHBondContact OG1-O 3.46Å; T361-L372 VanDerWaalsContact OG1-O 3.09Å; L370-L372 PolarHBondContact O-N 3.33Å
373G95.3Very high93.4Very high35 Ų3576 Ų7636%0.36144%0.437SS..  trans-60.4147.9-179.100000113.3S359 T361S359-G373 CarbonylContact O-C 3.18Å; S359-G373 WeakPolarHBondContact O-CA 3.26Å; T361-G373 PolarHBondContact O-N 3.02Å; T361-G373 PolarHBondContact OG1-N 3.07Å
374Q96.9Very high93.6Very high124 Ų12473.9 Ų73.958%0.57943%0.431SS*.EExtended strand (participates in β ladder)trans-143.3144-177.4-165.4-175.119.800110.7V358 S359 T376V358-Q374 CarbonylContact C-O 3.5Å; V358-Q374 WeakPolarHBondContact CA-O 3.45Å; S359-Q374 PolarHBondContact N-O 2.97Å; S359-Q374 PolarHBondContact O-N 3.26Å; Q374-T376 VanDerWaalsContact CD-CG2 3.49Å; Q374-T376 HydrophobicContact CG-CG2 3.8Å
375V97.4Very high93.7Very high73 Ų7378 Ų7844%0.44245%0.452SS..EExtended strand (participates in β ladder)trans-118.2127.5168.1-173.70000108.7L356 M357 V358 I378L356-V375 HydrophobicContact CD1-CG1 3.64Å; L356-V375 HydrophobicContact CD2-CG1 4.18Å; L356-V375 HydrophobicContact CG-CG1 3.96Å; M357-V375 CarbonylContact O-C 3.55Å; M357-V375 WeakPolarHBondContact O-CA 3.47Å; V358-V375 HydrophobicContact CG2-CG1 4.33Å; V358-V375 HydrophobicContact CG2-CG2 4.29Å; V375-I378 HydrophobicContact CG1-CD1 4.14Å; V375-I378 HydrophobicContact CG1-CG1 4.02Å
376T97.4Very high94Very high56 Ų5678 Ų7834%0.34445%0.453SS..EExtended strand (participates in β ladder)trans-133.7169.8-179.962.40000111.3M357 Q374M357-T376 WeakPolarHBondContact CB-OG1 3.18Å; M357-T376 PolarHBondContact N-O 2.9Å; M357-T376 PolarHBondContact O-N 2.77Å; Q374-T376 VanDerWaalsContact CD-CG2 3.49Å; Q374-T376 HydrophobicContact CG-CG2 3.8Å
377N97.4Very high94.5Very high91 Ų9172.6 Ų72.649%0.48743%0.434SS..SBendtrans57.844.1-174.9-161.942.2000113.3D355 M357 N382D355-N377 PolarHBondContact O-ND2 3.2Å; D355-N377 PolarHBondContact OD2-ND2 3.03Å; M357-N377 HydrophobicContact CG-CB 4.45Å; N377-N382 PolarHBondContact O-ND2 3.23Å
378I97.6Very high95Very high107 Ų10771.2 Ų71.255%0.54943%0.429SS..  trans-75130.2178.6-63.1172.1000109.8L356 V375 L383L356-I378 HydrophobicContact CD1-CB 4.39Å; L356-I378 HydrophobicContact CD1-CG1 3.74Å; V375-I378 HydrophobicContact CG1-CD1 4.14Å; V375-I378 HydrophobicContact CG1-CG1 4.02Å; I378-L383 HydrophobicContact CG2-CD1 3.77Å; I378-L383 HydrophobicContact CG2-CD2 3.97Å; I378-L383 HydrophobicContact CG2-CG 4.06Å
379S96Very high95.3Very high37 Ų3769.7 Ų69.726%0.25942%0.417SS..  trans-136.3165.2172.872.80000110.9S381 N382S379-S381 PolarHBondContact O-N 3.31Å; S379-S381 PolarHBondContact OG-N 3.09Å; S379-S381 PolarHBondContact OG-OG 3.33Å; S379-S381 VanDerWaalsContact OG-OG 3.08Å; S379-N382 PolarHBondContact N-ND2 3.28Å; S379-N382 PolarHBondContact N-OD1 2.91Å; S379-N382 PolarHBondContact O-N 2.98Å; S379-N382 PolarHBondContact O-OD1 2.92Å; S379-N382 PolarHBondContact OG-ND2 3.26Å; S379-N382 VanDerWaalsContact OG-ND2 3.08Å; S379-N382 PolarHBondContact OG-OD1 3.4Å
380A94.8Very high95.8Very high109 Ų10965.4 Ų65.490%0.90139%0.389SS*.THydrogen-bonded Turntrans-63-21.4177.700000113.2
381S94.4Very high96.2Very high92 Ų9257.7 Ų57.764%0.64335%0.348SS*.THydrogen-bonded Turntrans-92.1-14.9-176.447.70000114.6S379S379-S381 PolarHBondContact O-N 3.31Å; S379-S381 PolarHBondContact OG-N 3.09Å; S379-S381 PolarHBondContact OG-OG 3.33Å; S379-S381 VanDerWaalsContact OG-OG 3.08Å
382N95.8Very high96.6Very high0 Ų055.6 Ų55.60%033%0.333CS..SBendtrans-113.215.4-170.569.714.6000115D355 L356 N377 S379 H387D355-N382 WeakPolarHBondContact OD1-CB 3.47Å; D355-N382 PolarHBondContact OD1-ND2 3.11Å; L356-N382 HydrophobicContact CB-CB 4.27Å; N377-N382 PolarHBondContact O-ND2 3.23Å; S379-N382 PolarHBondContact N-ND2 3.28Å; S379-N382 PolarHBondContact N-OD1 2.91Å; S379-N382 PolarHBondContact O-N 2.98Å; S379-N382 PolarHBondContact O-OD1 2.92Å; S379-N382 PolarHBondContact OG-ND2 3.26Å; S379-N382 VanDerWaalsContact OG-ND2 3.08Å; S379-N382 PolarHBondContact OG-OD1 3.4Å; N382-H387 WeakPolarHBondContact O-CB 3.5Å
383L95.6Very high96.8Very high96 Ų9649.9 Ų49.950%0.50330%0.303SS..  trans-102.23.9-177-72.7176.5000115I378I378-L383 HydrophobicContact CG2-CD1 3.77Å; I378-L383 HydrophobicContact CG2-CD2 3.97Å; I378-L383 HydrophobicContact CG2-CG 4.06Å
384S96.3Very high96.9Very high54 Ų5450.7 Ų50.738%0.37830%0.295SS..SBendtrans-60.5152.4170.576.20000110.4G386 H387 V388S384-G386 PolarHBondContact O-N 3.49Å; S384-G386 VanDerWaalsContact O-N 3.13Å; S384-H387 PolarHBondContact O-N 2.85Å; S384-H387 PolarHBondContact OG-N 2.94Å; S384-H387 PolarHBondContact OG-ND1 3.36Å; S384-V388 WeakPolarHBondContact O-CG2 3.36Å; S384-V388 PolarHBondContact O-N 3.02Å
385L95.3Very high97Very high88 Ų8845 Ų4546%0.46127%0.27SS..Hα-helixtrans-52.8-37.8176.8-71.3175.6000113.4L324 L344 F389L324-L385 HydrophobicContact CD1-CD2 4Å; L324-L385 HydrophobicContact CD2-CD2 3.77Å; L344-L385 HydrophobicContact CD2-CB 4.22Å; L344-L385 HydrophobicContact CD2-CD1 4.43Å; L344-L385 HydrophobicContact CD2-CD2 4.47Å; L385-F389 VanDerWaalsContact O-CB 3.27Å; L385-F389 WeakPolarHBondContact O-CB 3.48Å; L385-F389 PolarHBondContact O-N 3.39Å
386G97.1Very high97Very high3 Ų341.5 Ų41.53%0.03125%0.249CC..Hα-helixtrans-63.6-46.7176.900000113.1S347 A348 S384 R390S347-G386 WeakPolarHBondContact O-CA 3.31Å; A348-G386 WeakPolarHBondContact CB-O 3.45Å; S384-G386 PolarHBondContact O-N 3.49Å; S384-G386 VanDerWaalsContact O-N 3.13Å; G386-R390 WeakPolarHBondContact O-CB 3.43Å; G386-R390 PolarHBondContact O-N 3.4Å
387H98.1Very high97.1Very high34 Ų3438.9 Ų38.916%0.15723%0.232CC..Hα-helixtrans-62.1-47.3176.3-75.799000111.6Q351 S353 S354 N382 S384 R390 A391Q351-H387 PolarHBondContact OE1-CE1 3.42Å; Q351-H387 PolarHBondContact OE1-ND1 3.03Å; Q351-H387 PolarHBondContact OE1-NE2 3.48Å; S353-H387 PolarHBondContact O-CD2 2.92Å; S354-H387 PolarHBondContact OG-O 2.81Å; N382-H387 WeakPolarHBondContact O-CB 3.5Å; S384-H387 PolarHBondContact O-N 2.85Å; S384-H387 PolarHBondContact OG-N 2.94Å; S384-H387 PolarHBondContact OG-ND1 3.36Å; H387-R390 PolarHBondContact O-N 3Å; H387-A391 VanDerWaalsContact O-CB 3.25Å; H387-A391 WeakPolarHBondContact O-CB 3.15Å; H387-A391 PolarHBondContact O-N 3.5Å
388V97.8Very high97Very high30 Ų3037 Ų3718%0.18223%0.227CC..Hα-helixtrans-62.7-46.7-179.9176.40000111.2F320 L356 S384 A391 L392F320-V388 HydrophobicContact CE2-CG1 3.75Å; F320-V388 HydrophobicContact CZ-CB 4.43Å; F320-V388 HydrophobicContact CZ-CG1 3.65Å; L356-V388 HydrophobicContact CD2-CB 4.33Å; L356-V388 HydrophobicContact CD2-CG2 3.84Å; S384-V388 WeakPolarHBondContact O-CG2 3.36Å; S384-V388 PolarHBondContact O-N 3.02Å; V388-A391 PolarHBondContact O-N 3.06Å; V388-L392 WeakPolarHBondContact O-CB 3.22Å; V388-L392 PolarHBondContact O-N 3.44Å
389F97.7Very high97Very high0 Ų032.7 Ų32.70%021%0.205CC..Hα-helixtrans-68.8-38.4-178.5-170.1-105.4000112.4L317 F320 Y341 L344 I345 A348 L385 L392 C393L317-F389 HydrophobicContact CD2-CE2 4.42Å; F320-F389 AromaticContact CD1-CD2 3.8Å; F320-F389 HydrophobicContact CD1-CD2 3.8Å; F320-F389 HydrophobicContact CD1-CE2 4.37Å; F320-F389 HydrophobicContact CE1-CB 4.35Å; F320-F389 AromaticContact CE1-CD2 3.87Å; F320-F389 HydrophobicContact CE1-CD2 3.87Å; Y341-F389 HydrophobicContact CE1-CZ 4.2Å; L344-F389 HydrophobicContact CB-CD1 4.23Å; L344-F389 HydrophobicContact CB-CD2 4.28Å; L344-F389 HydrophobicContact CB-CE1 4.37Å; L344-F389 HydrophobicContact CB-CE2 4.41Å; L344-F389 HydrophobicContact CB-CG 4.19Å; L344-F389 HydrophobicContact CB-CZ 4.44Å; L344-F389 HydrophobicContact CD1-CD2 4.49Å; I345-F389 HydrophobicContact CG1-CE1 3.81Å; I345-F389 HydrophobicContact CG1-CZ 4.32Å; A348-F389 HydrophobicContact CB-CB 4.24Å; A348-F389 HydrophobicContact CB-CD1 3.79Å; L385-F389 VanDerWaalsContact O-CB 3.27Å; L385-F389 WeakPolarHBondContact O-CB 3.48Å; L385-F389 PolarHBondContact O-N 3.39Å; F389-L392 PolarHBondContact O-N 2.98Å; F389-C393 PolarHBondContact O-N 3.43Å; F389-C393 PolarHBondContact O-SG 3.13Å
390R97.9Very high97.1Very high4 Ų431 Ų312%0.01519%0.192CC..Hα-helixtrans-63-45.1171.8-179.7172.7-72.2-83.78.5111.6A348 Q351 G386 H387 L392 C393 R394 V429 E433A348-R390 HydrophobicContact CB-CB 4.14Å; A348-R390 PolarHBondContact O-NE 3.25Å; A348-R390 VanDerWaalsContact O-NE 3.11Å; A348-R390 PolarHBondContact O-NH2 2.65Å; A348-R390 VanDerWaalsContact O-NH2 3.1Å; Q351-R390 VanDerWaalsContact O-CZ 3.24Å; Q351-R390 PolarHBondContact O-NE 3.21Å; Q351-R390 PolarHBondContact O-NH2 3.32Å; G386-R390 WeakPolarHBondContact O-CB 3.43Å; G386-R390 PolarHBondContact O-N 3.4Å; H387-R390 PolarHBondContact O-N 3Å; R390-L392 VanDerWaalsContact C-N 3.29Å; R390-L392 PolarHBondContact O-N 3.3Å; R390-C393 PolarHBondContact O-N 2.94Å; R390-R394 PolarHBondContact O-N 3.36Å; R390-V429 HydrophobicContact CB-CG1 4.09Å; R390-V429 HydrophobicContact CG-CG1 3.98Å; R390-E433 IonicContact CZ-OE1 2.57Å; R390-E433 IonicContact NH1-OE1 2.63Å; R390-E433 PolarHBondContact NH1-OE1 3.29Å
391A98.3Very high97.2Very high0 Ų026.7 Ų26.70%016%0.157CC..Hα-helixtrans-60.6-38.9176.900000112.3L356 V358 H387 V388 R394 G395L356-A391 HydrophobicContact CB-CB 3.96Å; L356-A391 HydrophobicContact CD2-CB 4.08Å; L356-A391 HydrophobicContact CG-CB 4.26Å; L356-A391 WeakPolarHBondContact O-CB 3.49Å; V358-A391 HydrophobicContact CG2-CB 3.79Å; H387-A391 VanDerWaalsContact O-CB 3.25Å; H387-A391 WeakPolarHBondContact O-CB 3.15Å; H387-A391 PolarHBondContact O-N 3.5Å; V388-A391 PolarHBondContact O-N 3.06Å; A391-R394 PolarHBondContact O-N 3.4Å; A391-G395 PolarHBondContact O-N 3.16Å
392L98.1Very high97.2Very high14 Ų1426.2 Ų26.27%0.07315%0.154CC..Hα-helixtrans-65.9-45.1174.3-179.166.5000111.9L317 F320 V358 P360 V388 F389 R390 R394 G395 V396L317-L392 HydrophobicContact CD2-CB 4.48Å; L317-L392 HydrophobicContact CD2-CD2 3.66Å; L317-L392 HydrophobicContact CD2-CG 3.63Å; F320-L392 HydrophobicContact CB-CD2 3.58Å; F320-L392 HydrophobicContact CD1-CD2 4.06Å; F320-L392 HydrophobicContact CD2-CD2 4.44Å; F320-L392 HydrophobicContact CG-CD2 3.78Å; V358-L392 HydrophobicContact CG1-CB 4.4Å; V358-L392 HydrophobicContact CG1-CD1 3.61Å; P360-L392 HydrophobicContact CB-CD1 3.92Å; V388-L392 WeakPolarHBondContact O-CB 3.22Å; V388-L392 PolarHBondContact O-N 3.44Å; F389-L392 PolarHBondContact O-N 2.98Å; R390-L392 VanDerWaalsContact C-N 3.29Å; R390-L392 PolarHBondContact O-N 3.3Å; L392-R394 VanDerWaalsContact C-N 3.33Å; L392-R394 PolarHBondContact O-N 2.65Å; L392-G395 WeakPolarHBondContact O-CA 3.44Å; L392-G395 PolarHBondContact O-N 3.31Å; L392-G395 VanDerWaalsContact O-N 3.13Å; L392-V396 PolarHBondContact O-N 2.85Å
393C98.1Very high97.2Very high0 Ų026.4 Ų26.40%016%0.155CC..Hα-helixtrans-58-46.3174.1-690000111.1F389 R390 G395 V396 V397 N427 V429 L430 E433F389-C393 PolarHBondContact O-N 3.43Å; F389-C393 PolarHBondContact O-SG 3.13Å; R390-C393 PolarHBondContact O-N 2.94Å; C393-G395 VanDerWaalsContact C-N 3.32Å; C393-G395 PolarHBondContact O-N 3.29Å; C393-V396 PolarHBondContact O-N 3.36Å; C393-V397 PolarHBondContact O-N 2.81Å; C393-N427 PolarHBondContact SG-ND2 2.85Å; C393-V429 HydrophobicContact CB-CG1 3.96Å; C393-L430 HydrophobicContact CB-CD1 3.85Å; C393-L430 WeakPolarHBondContact O-CD1 3.19Å; C393-E433 HydrophobicContact CB-CG 4.39Å
394R97.9Very high97.3Very high52 Ų5221.9 Ų21.920%0.19613%0.131CC..Hα-helixtrans-58.6-45.5173.6-179.4176.463.7-157.5-3.9111.1S354 L356 M357 R390 A391 L392 V396 V397 S398 E433S354-R394 PolarHBondContact O-NH1 2.92Å; S354-R394 PolarHBondContact O-NH2 3.39Å; L356-R394 PolarHBondContact O-NH2 3.13Å; M357-R394 PolarHBondContact SD-NH2 3.38Å; M357-R394 VanDerWaalsContact SD-NH2 3.35Å; R390-R394 PolarHBondContact O-N 3.36Å; A391-R394 PolarHBondContact O-N 3.4Å; L392-R394 VanDerWaalsContact C-N 3.33Å; L392-R394 PolarHBondContact O-N 2.65Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 3.29Å; R394-V397 PolarHBondContact O-N 3.03Å; R394-V397 VanDerWaalsContact O-N 3.11Å; R394-S398 WeakPolarHBondContact O-CB 3.4Å; R394-S398 PolarHBondContact O-N 3.34Å; R394-S398 PolarHBondContact O-OG 3.13Å; R394-S398 VanDerWaalsContact O-OG 3.11Å; R394-E433 HydrophobicContact CB-CB 4.49Å; R394-E433 HydrophobicContact CB-CG 4.01Å
395G98.1Very high97.2Very high4 Ų421.7 Ų21.74%0.04113%0.129CC..Hα-helixtrans-53.7-43.2177.500000113.2V358 P360 A391 L392 C393 S398 N399V358-G395 WeakPolarHBondContact O-CA 3.2Å; P360-G395 WeakPolarHBondContact CD-O 3.36Å; A391-G395 PolarHBondContact O-N 3.16Å; L392-G395 WeakPolarHBondContact O-CA 3.44Å; L392-G395 PolarHBondContact O-N 3.31Å; L392-G395 VanDerWaalsContact O-N 3.13Å; C393-G395 VanDerWaalsContact C-N 3.32Å; C393-G395 PolarHBondContact O-N 3.29Å; G395-S398 PolarHBondContact O-N 3.1Å; G395-N399 VanDerWaalsContact O-CB 3.3Å; G395-N399 WeakPolarHBondContact O-CB 3.38Å; G395-N399 PolarHBondContact O-N 3.15Å
396V98.2Very high97.1Very high0 Ų018.4 Ų18.40%011%0.112CC..Hα-helixtrans-61.8-46.1177.1170.80000110.9I268 L317 P360 L392 C393 R394 V400 L430I268-V396 HydrophobicContact CG2-CG1 4.33Å; L317-V396 HydrophobicContact CD2-CG2 4.24Å; L317-V396 HydrophobicContact CG-CG2 4.48Å; P360-V396 HydrophobicContact CB-CG2 4.11Å; P360-V396 HydrophobicContact CG-CG2 3.99Å; L392-V396 PolarHBondContact O-N 2.85Å; C393-V396 PolarHBondContact O-N 3.36Å; R394-V396 VanDerWaalsContact C-N 3.28Å; R394-V396 PolarHBondContact O-N 3.29Å; V396-V400 PolarHBondContact O-N 3.47Å; V396-L430 HydrophobicContact CB-CD1 4.4Å; V396-L430 HydrophobicContact CG1-CD1 4.48Å
397V97.8Very high96.9Very high1 Ų123.2 Ų23.21%0.00613%0.134CC..Hα-helixtrans-67.3-46.5178.8-178.60000111.2C393 R394 N399 V400 A401 L430 E433 V434 A437 F438C393-V397 PolarHBondContact O-N 2.81Å; R394-V397 PolarHBondContact O-N 3.03Å; R394-V397 VanDerWaalsContact O-N 3.11Å; V397-N399 VanDerWaalsContact C-N 3.28Å; V397-N399 PolarHBondContact O-N 3.18Å; V397-V400 PolarHBondContact O-N 3.45Å; V397-A401 WeakPolarHBondContact O-CB 3.13Å; V397-A401 PolarHBondContact O-N 3.47Å; V397-L430 HydrophobicContact CG2-CD1 3.71Å; V397-L430 HydrophobicContact CG2-CG 4.38Å; V397-E433 HydrophobicContact CG2-CB 4.07Å; V397-V434 HydrophobicContact CG1-CG2 4.09Å; V397-V434 HydrophobicContact CG2-CG2 3.69Å; V397-A437 HydrophobicContact CG1-CB 3.43Å; V397-A437 VanDerWaalsContact CG1-CB 3.43Å; V397-F438 HydrophobicContact CG1-CD2 4.47Å; V397-F438 HydrophobicContact CG1-CE2 3.94Å
398S96.9Very high96.7Very high52 Ų5223.6 Ų23.636%0.36414%0.136SC..Hα-helixtrans-62.4-33.6179.7-65.90000112.6R394 G395 A401 S402R394-S398 WeakPolarHBondContact O-CB 3.4Å; R394-S398 PolarHBondContact O-N 3.34Å; R394-S398 PolarHBondContact O-OG 3.13Å; R394-S398 VanDerWaalsContact O-OG 3.11Å; G395-S398 PolarHBondContact O-N 3.1Å; S398-A401 PolarHBondContact O-N 2.89Å; S398-S402 WeakPolarHBondContact O-CB 3.41Å; S398-S402 PolarHBondContact O-N 3.45Å; S398-S402 PolarHBondContact O-OG 3.49Å
399N97.4Very high96.5Very high16 Ų1622.1 Ų22.19%0.08613%0.127CC..Hα-helixtrans-64.7-42.5175-173.951.7000111.8S310 P360 E365 G395 V397 S402 M403S310-N399 PolarHBondContact OG-ND2 3.28Å; P360-N399 HydrophobicContact CG-CB 4.43Å; E365-N399 PolarHBondContact OE1-ND2 2.87Å; G395-N399 VanDerWaalsContact O-CB 3.3Å; G395-N399 WeakPolarHBondContact O-CB 3.38Å; G395-N399 PolarHBondContact O-N 3.15Å; V397-N399 VanDerWaalsContact C-N 3.28Å; V397-N399 PolarHBondContact O-N 3.18Å; N399-S402 PolarHBondContact O-N 3.3Å; N399-S402 PolarHBondContact O-OG 2.87Å; N399-M403 WeakPolarHBondContact ND2-CE 3.35Å; N399-M403 VanDerWaalsContact O-CG 3.3Å; N399-M403 WeakPolarHBondContact O-CG 3.43Å; N399-M403 PolarHBondContact O-N 3.19Å
400V97.1Very high96.3Very high1 Ų126.9 Ų26.91%0.00615%0.149CC..Hα-helixtrans-70.2-40.5175.5179.40000111.1L266 A272 L274 V396 V397 S402 M403 M404L266-V400 HydrophobicContact CD1-CG1 4.01Å; A272-V400 HydrophobicContact CB-CG2 3.63Å; L274-V400 HydrophobicContact CB-CG1 3.42Å; L274-V400 VanDerWaalsContact CB-CG1 3.42Å; L274-V400 HydrophobicContact CD2-CG1 4.16Å; L274-V400 HydrophobicContact CG-CG1 4.45Å; V396-V400 PolarHBondContact O-N 3.47Å; V397-V400 PolarHBondContact O-N 3.45Å; V400-S402 VanDerWaalsContact C-N 3.3Å; V400-S402 PolarHBondContact O-N 2.91Å; V400-M403 WeakPolarHBondContact O-CB 3.46Å; V400-M403 PolarHBondContact O-N 2.97Å; V400-M404 PolarHBondContact O-N 3.48Å
401A96.4Very high96.1Very high20 Ų2035.8 Ų35.817%0.16518%0.183CC..Hα-helixtrans-65.9-31177.300000112.6V397 S398 M404 P405 F438V397-A401 WeakPolarHBondContact O-CB 3.13Å; V397-A401 PolarHBondContact O-N 3.47Å; S398-A401 PolarHBondContact O-N 2.89Å; A401-M404 CarbonylContact O-C 3.56Å; A401-P405 WeakPolarHBondContact O-CA 3.48Å; A401-P405 VanDerWaalsContact O-N 3.09Å; A401-F438 HydrophobicContact CB-CE1 4.36Å; A401-F438 HydrophobicContact CB-CE2 4.5Å; A401-F438 HydrophobicContact CB-CZ 3.88Å
402S95.6Very high95.8Very high81 Ų8137.4 Ų37.457%0.56620%0.196SC*.Hα-helixtrans-72.7-34.817470.60000111.9S398 N399 V400S398-S402 WeakPolarHBondContact O-CB 3.41Å; S398-S402 PolarHBondContact O-N 3.45Å; S398-S402 PolarHBondContact O-OG 3.49Å; N399-S402 PolarHBondContact O-N 3.3Å; N399-S402 PolarHBondContact O-OG 2.87Å; V400-S402 VanDerWaalsContact C-N 3.3Å; V400-S402 PolarHBondContact O-N 2.91Å
403M96Very high95.6Very high5 Ų538.6 Ų38.63%0.02521%0.211CC..Hα-helixtrans-65.9-38.8174.4-71.2176.9-164.800112.6S293 I294 A308 E365 N399 V400S293-M403 PolarHBondContact OG-O 3.42Å; I294-M403 WeakPolarHBondContact CG1-O 3.47Å; A308-M403 HydrophobicContact CB-CB 3.66Å; A308-M403 HydrophobicContact CB-SD 4.43Å; E365-M403 HydrophobicContact CB-CE 4.23Å; E365-M403 HydrophobicContact CG-CE 3.53Å; E365-M403 WeakPolarHBondContact OE1-CE 3.46Å; E365-M403 WeakPolarHBondContact OE2-CE 3.49Å; N399-M403 WeakPolarHBondContact ND2-CE 3.35Å; N399-M403 VanDerWaalsContact O-CG 3.3Å; N399-M403 WeakPolarHBondContact O-CG 3.43Å; N399-M403 PolarHBondContact O-N 3.19Å; V400-M403 WeakPolarHBondContact O-CB 3.46Å; V400-M403 PolarHBondContact O-N 2.97Å
404M96.6Very high95.5Very high0 Ų038.9 Ų38.90%021%0.214CC..SBendtrans-139.489.9177.7-176.5-177-68.700109.9L274 F276 I294 A306 A308 V400 A401 H408 L409L274-M404 HydrophobicContact CD2-CB 4.04Å; L274-M404 HydrophobicContact CD2-CG 4.18Å; L274-M404 HydrophobicContact CD2-SD 3.98Å; L274-M404 HydrophobicContact CG-SD 3.85Å; F276-M404 HydrophobicContact CD1-CE 4.26Å; F276-M404 HydrophobicContact CD1-SD 3.64Å; F276-M404 HydrophobicContact CE1-CE 3.89Å; F276-M404 HydrophobicContact CE1-SD 3.52Å; F276-M404 VanDerWaalsContact CE1-SD 3.52Å; I294-M404 HydrophobicContact CB-CE 4.5Å; I294-M404 HydrophobicContact CD1-CB 4.19Å; I294-M404 HydrophobicContact CD1-CE 4.01Å; I294-M404 HydrophobicContact CD1-CG 4.06Å; I294-M404 HydrophobicContact CG1-CB 4.35Å; I294-M404 HydrophobicContact CG1-CE 3.93Å; I294-M404 HydrophobicContact CG2-CE 3.87Å; A306-M404 HydrophobicContact CB-CE 4.18Å; A308-M404 HydrophobicContact CB-CB 3.72Å; A308-M404 HydrophobicContact CB-CE 4.03Å; V400-M404 PolarHBondContact O-N 3.48Å; A401-M404 CarbonylContact O-C 3.56Å; M404-H408 HydrophobicContact CG-CB 4.49Å; M404-L409 HydrophobicContact CG-CD2 4.18Å; M404-L409 HydrophobicContact SD-CD2 3.67Å
405P94.4Very high95.3Very high50 Ų5045.8 Ų45.833%0.32524%0.24SC..  trans-61.3153.2-176.9-25.835.4000113.5A401 E407 H408 L409A401-P405 WeakPolarHBondContact O-CA 3.48Å; A401-P405 VanDerWaalsContact O-N 3.09Å; P405-E407 WeakPolarHBondContact CB-OE2 3.38Å; P405-E407 PolarHBondContact O-N 3.38Å; P405-H408 WeakPolarHBondContact O-CA 3.43Å; P405-H408 WeakPolarHBondContact O-CB 3.41Å; P405-H408 PolarHBondContact O-N 3.01Å; P405-L409 PolarHBondContact O-N 3.17Å
406V93.6Very high95.2Very high20 Ų2048.6 Ų48.612%0.12125%0.249CC..Hα-helixtrans-58.7-33-179.267.10000112.3H408 L409 Q410 P439V406-H408 PolarHBondContact O-N 3.05Å; V406-L409 WeakPolarHBondContact O-CB 3.48Å; V406-L409 PolarHBondContact O-N 3.05Å; V406-L409 VanDerWaalsContact O-N 3.1Å; V406-Q410 HydrophobicContact CG2-CG 4.26Å; V406-Q410 WeakPolarHBondContact O-CG 3.39Å; V406-Q410 PolarHBondContact O-N 2.83Å; V406-P439 HydrophobicContact CG2-CG 4.09Å
407E93.3Very high95.1Very high103 Ų10348.6 Ų48.648%0.48125%0.249SC..Hα-helixtrans-64.1-27.4177.6-57.376.2-166.700111.2P405 R411P405-E407 WeakPolarHBondContact CB-OE2 3.38Å; P405-E407 PolarHBondContact O-N 3.38Å; E407-R411 WeakPolarHBondContact O-CB 3.37Å; E407-R411 VanDerWaalsContact O-CG 3.29Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.91Å; E407-R411 VanDerWaalsContact O-N 3.11Å; E407-R411 PolarHBondContact O-NE 2.98Å
408H93.6Very high95Very high42 Ų4248.6 Ų48.619%0.19425%0.249CC..Hα-helixtrans-70.9-45.3173.7-167.787.5000110.7F276 M404 P405 V406 R411 A412F276-H408 AromaticContact CE1-CD2 3.65Å; F276-H408 AromaticContact CE1-NE2 3.93Å; F276-H408 AromaticContact CZ-CD2 3.65Å; F276-H408 AromaticContact CZ-NE2 3.6Å; M404-H408 HydrophobicContact CG-CB 4.49Å; P405-H408 WeakPolarHBondContact O-CA 3.43Å; P405-H408 WeakPolarHBondContact O-CB 3.41Å; P405-H408 PolarHBondContact O-N 3.01Å; V406-H408 PolarHBondContact O-N 3.05Å; H408-R411 PolarHBondContact O-N 3.39Å; H408-A412 PolarHBondContact O-N 2.9Å; H408-A412 VanDerWaalsContact O-N 3.1Å
409L94.3Very high95Very high0 Ų046.3 Ų46.30%023%0.234CC..Hα-helixtrans-59.7-46.9174.7-60.4178.7000111.6A264 L274 F276 M404 P405 V406 R411 A412 G413 V414 F438 L440A264-L409 HydrophobicContact CB-CD2 4.29Å; L274-L409 HydrophobicContact CD1-CD1 4.45Å; L274-L409 HydrophobicContact CD2-CD1 4.12Å; L274-L409 HydrophobicContact CD2-CD2 4.37Å; L274-L409 HydrophobicContact CG-CD2 4.48Å; F276-L409 HydrophobicContact CD1-CD2 3.54Å; F276-L409 HydrophobicContact CE1-CD2 4Å; F276-L409 HydrophobicContact CG-CD2 4.26Å; M404-L409 HydrophobicContact CG-CD2 4.18Å; M404-L409 HydrophobicContact SD-CD2 3.67Å; P405-L409 PolarHBondContact O-N 3.17Å; V406-L409 WeakPolarHBondContact O-CB 3.48Å; V406-L409 PolarHBondContact O-N 3.05Å; V406-L409 VanDerWaalsContact O-N 3.1Å; L409-R411 PolarHBondContact O-N 3Å; L409-A412 CarbonylContact O-C 3.53Å; L409-A412 WeakPolarHBondContact O-CB 3.36Å; L409-A412 PolarHBondContact O-N 2.9Å; L409-A412 VanDerWaalsContact O-N 3.15Å; L409-G413 PolarHBondContact O-N 3.41Å; L409-V414 HydrophobicContact CB-CB 3.98Å; L409-V414 HydrophobicContact CB-CG1 4.35Å; L409-V414 HydrophobicContact CB-CG2 4.2Å; L409-V414 HydrophobicContact CD2-CG2 4.34Å; L409-V414 VanDerWaalsContact O-CB 3.3Å; L409-V414 WeakPolarHBondContact O-CB 3.26Å; L409-V414 WeakPolarHBondContact O-CG2 3.37Å; L409-V414 PolarHBondContact O-N 3.29Å; L409-F438 HydrophobicContact CD1-CD1 3.99Å; L409-F438 HydrophobicContact CD1-CE1 3.99Å; L409-L440 HydrophobicContact CD1-CD1 4.26Å
410Q93.5Very high94.8Very high99 Ų9945.8 Ų45.846%0.46323%0.231SC..Hα-helixtrans-63.6-41.7-179.8-72.6174.5-20.400112.1V406 A412 G413V406-Q410 HydrophobicContact CG2-CG 4.26Å; V406-Q410 WeakPolarHBondContact O-CG 3.39Å; V406-Q410 PolarHBondContact O-N 2.83Å; Q410-A412 PolarHBondContact O-N 3.45Å; Q410-G413 PolarHBondContact O-N 3.41Å
411R92.9Very high94.5Very high191 Ų19146 Ų4672%0.72123%0.233SC*.Hα-helixtrans-62.4-32.6174.4-82.9179-80.6154-12.1112.6E407 H408 L409 G413E407-R411 WeakPolarHBondContact O-CB 3.37Å; E407-R411 VanDerWaalsContact O-CG 3.29Å; E407-R411 WeakPolarHBondContact O-CG 3.39Å; E407-R411 PolarHBondContact O-N 2.91Å; E407-R411 VanDerWaalsContact O-N 3.11Å; E407-R411 PolarHBondContact O-NE 2.98Å; H408-R411 PolarHBondContact O-N 3.39Å; L409-R411 PolarHBondContact O-N 3Å; R411-G413 PolarHBondContact O-N 3.41Å
412A91.8Very high94.2Very high35 Ų3547.6 Ų47.629%0.28924%0.244SC..THydrogen-bonded Turntrans-77.3-2173.200000113.8F276 H408 L409 Q410 V414F276-A412 HydrophobicContact CD2-CB 3.67Å; F276-A412 HydrophobicContact CE2-CB 3.15Å; F276-A412 HydrophobicContact CZ-CB 3.74Å; H408-A412 PolarHBondContact O-N 2.9Å; H408-A412 VanDerWaalsContact O-N 3.1Å; L409-A412 CarbonylContact O-C 3.53Å; L409-A412 WeakPolarHBondContact O-CB 3.36Å; L409-A412 PolarHBondContact O-N 2.9Å; L409-A412 VanDerWaalsContact O-N 3.15Å; Q410-A412 PolarHBondContact O-N 3.45Å; A412-V414 HydrophobicContact CB-CG2 4.48Å
413G93.7Very high94.1Very high38 Ų3844.5 Ų44.539%0.39222%0.223SC..THydrogen-bonded Turntrans81.813.8179.400000114.5L409 Q410 R411 R415L409-G413 PolarHBondContact O-N 3.41Å; Q410-G413 PolarHBondContact O-N 3.41Å; R411-G413 PolarHBondContact O-N 3.41Å; G413-R415 PolarHBondContact O-N 3.24Å
414V95.8Very high94.1Very high7 Ų744.3 Ų44.34%0.04222%0.222CC..  trans-65131.9173.7176.80000109.7A262 A264 F276 L409 A412 L440A262-V414 CarbonylContact O-C 3.58Å; A262-V414 WeakPolarHBondContact O-CA 3.35Å; A264-V414 HydrophobicContact CB-CG1 3.59Å; A264-V414 HydrophobicContact CB-CG2 4.24Å; F276-V414 HydrophobicContact CB-CG2 3.77Å; F276-V414 HydrophobicContact CD2-CG2 4.16Å; F276-V414 HydrophobicContact CG-CG2 3.97Å; L409-V414 HydrophobicContact CB-CB 3.98Å; L409-V414 HydrophobicContact CB-CG1 4.35Å; L409-V414 HydrophobicContact CB-CG2 4.2Å; L409-V414 HydrophobicContact CD2-CG2 4.34Å; L409-V414 VanDerWaalsContact O-CB 3.3Å; L409-V414 WeakPolarHBondContact O-CB 3.26Å; L409-V414 WeakPolarHBondContact O-CG2 3.37Å; L409-V414 PolarHBondContact O-N 3.29Å; A412-V414 HydrophobicContact CB-CG2 4.48Å; V414-L440 HydrophobicContact CG1-CD1 4Å
415R94.9Very high93.9Very high197 Ų19747 Ų4774%0.74324%0.244SC*.  trans-120.1-20.9-179.8-63.7-176.1-178.1177.90.3113.4A262 G413A262-R415 HydrophobicContact CB-CB 4.38Å; A262-R415 HydrophobicContact CB-CG 4.33Å; A262-R415 PolarHBondContact O-N 3.26Å; G413-R415 PolarHBondContact O-N 3.24Å
416R95.7Very high93.8Very high63 Ų6354.3 Ų54.324%0.23827%0.265CS..EExtended strand (participates in β ladder)trans-138.9139.9-174.4-177.6172.962.4167.3-0.1110.3S259 A262 D263 A264 Q441 V443S259-R416 PolarHBondContact OG-NH2 3.47Å; A262-R416 PolarHBondContact O-N 2.96Å; D263-R416 WeakPolarHBondContact CA-O 3.19Å; D263-R416 IonicContact OD1-CZ 2.76Å; D263-R416 IonicContact OD1-NE 2.72Å; D263-R416 PolarHBondContact OD1-NE 3.31Å; D263-R416 IonicContact OD1-NH2 3Å; D263-R416 PolarHBondContact OD1-NH2 2.78Å; D263-R416 IonicContact OD2-CZ 2.83Å; D263-R416 IonicContact OD2-NE 3.22Å; D263-R416 IonicContact OD2-NH2 3.73Å; D263-R416 PolarHBondContact OD2-NH2 3.04Å; A264-R416 PolarHBondContact N-O 3.48Å; R416-Q441 CarbonylContact C-O 3.59Å; R416-Q441 WeakPolarHBondContact CA-O 3.31Å; R416-Q441 HydrophobicContact CG-CB 4.5Å; R416-Q441 WeakPolarHBondContact CG-O 3.17Å; R416-V443 HydrophobicContact CG-CG1 4.24Å; R416-V443 HydrophobicContact CG-CG2 4.07Å
417L96.1Very high93.9Very high0 Ų053.4 Ų53.40%026%0.26CS..EExtended strand (participates in β ladder)trans-107.2122.9174.2-169.866.5000109.5A264 L266 L274 V434 F438 Q441 V442 V443A264-L417 HydrophobicContact CB-CD1 3.75Å; A264-L417 CarbonylContact O-C 3.59Å; A264-L417 WeakPolarHBondContact O-CA 3.38Å; L266-L417 HydrophobicContact CB-CD1 3.86Å; L266-L417 HydrophobicContact CB-CD2 4.11Å; L266-L417 HydrophobicContact CB-CG 4.07Å; L266-L417 HydrophobicContact CD2-CD2 4.04Å; L274-L417 HydrophobicContact CD1-CD1 3.69Å; L417-V434 HydrophobicContact CD2-CG1 3.85Å; L417-F438 HydrophobicContact CD2-CB 4.02Å; L417-F438 HydrophobicContact CD2-CD2 3.84Å; L417-F438 HydrophobicContact CD2-CE2 4.46Å; L417-F438 HydrophobicContact CD2-CG 3.86Å; L417-Q441 PolarHBondContact N-O 3.17Å; L417-V442 HydrophobicContact CB-CG1 4.43Å; L417-V442 HydrophobicContact CB-CG2 4.33Å; L417-V442 HydrophobicContact CD2-CG1 4.46Å; L417-V442 HydrophobicContact CD2-CG2 4.36Å; L417-V442 CarbonylContact O-C 3.56Å; L417-V442 VanDerWaalsContact O-CA 3.31Å; L417-V442 WeakPolarHBondContact O-CA 3.43Å; L417-V443 PolarHBondContact O-N 2.97Å
418V96.5Very high94Very high1 Ų152.7 Ų52.71%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-94.4107.9173.6-173.60000108C257 D263 A264 V265 L266 V443C257-V418 HydrophobicContact CB-CG1 4.02Å; D263-V418 HydrophobicContact CB-CG2 4.26Å; A264-V418 PolarHBondContact O-N 2.98Å; V265-V418 WeakPolarHBondContact CA-O 3.47Å; V265-V418 HydrophobicContact CG2-CB 4.45Å; L266-V418 PolarHBondContact N-O 2.95Å; V418-V443 HydrophobicContact CB-CG2 4.21Å; V418-V443 HydrophobicContact CG1-CG2 4.29Å; V418-V443 HydrophobicContact CG2-CG2 3.82Å
419G95.4Very high94.2Very high4 Ų450.7 Ų50.74%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-83.2121.7177.100000111.3V443G419-V443 PolarHBondContact N-O 2.97Å
420S94.3Very high94.3Very high4 Ų450.7 Ų50.73%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-134168.1179.8172.80000111.3L266 N267 I268 A448L266-S420 PolarHBondContact O-N 3.5Å; N267-S420 CarbonylContact C-O 3.55Å; N267-S420 WeakPolarHBondContact CA-O 3.38Å; I268-S420 PolarHBondContact N-O 2.87Å; S420-A448 VanDerWaalsContact OG-CB 3.27Å; S420-A448 WeakPolarHBondContact OG-CB 3.4Å; S420-A448 PolarHBondContact OG-N 3.26Å
421G91.1Very high94.4Very high6 Ų649.7 Ų49.76%0.06224%0.239CC..SBendtrans107.4147.2171.200000113N267 I268 A423 L424 A425N267-G421 WeakPolarHBondContact OD1-CA 3.01Å; I268-G421 CarbonylContact O-C 3.55Å; I268-G421 VanDerWaalsContact O-CA 3.3Å; I268-G421 WeakPolarHBondContact O-CA 3.4Å; G421-A423 VanDerWaalsContact C-N 3.32Å; G421-A423 PolarHBondContact O-N 2.94Å; G421-L424 PolarHBondContact O-N 2.78Å; G421-A425 WeakPolarHBondContact O-CB 3.3Å; G421-A425 PolarHBondContact O-N 2.94Å
422S90.2Very high94.6Very high54 Ų5443 Ų4338%0.37822%0.216SC..Hα-helixtrans-62.3-36.7-170.865.50000113.4S269 R426S269-S422 PolarHBondContact OG-OG 3.08Å; S422-R426 WeakPolarHBondContact O-CB 3.32Å; S422-R426 VanDerWaalsContact O-CG 3.31Å; S422-R426 WeakPolarHBondContact O-CG 3.4Å; S422-R426 PolarHBondContact O-N 2.72Å
423A93.3Very high94.8Very high15 Ų1541.7 Ų41.712%0.12420%0.204CC..Hα-helixtrans-71-41.7178.600000111I268 G421 N427I268-A423 HydrophobicContact CG2-CB 4.25Å; I268-A423 WeakPolarHBondContact O-CB 3.39Å; I268-A423 PolarHBondContact O-N 2.83Å; G421-A423 VanDerWaalsContact C-N 3.32Å; G421-A423 PolarHBondContact O-N 2.94Å; A423-N427 WeakPolarHBondContact O-CB 3.25Å; A423-N427 PolarHBondContact O-N 2.91Å
424L95.1Very high95Very high1 Ų139.9 Ų39.91%0.00519%0.185CC..Hα-helixtrans-67.6-43176.7-170.658.2000112.6I268 G421 R426 N427 L430 R431 V434 Y444I268-L424 HydrophobicContact CB-CB 4.19Å; I268-L424 HydrophobicContact CD1-CD1 4.39Å; I268-L424 PolarHBondContact O-N 3.07Å; G421-L424 PolarHBondContact O-N 2.78Å; L424-R426 VanDerWaalsContact C-N 3.28Å; L424-R426 PolarHBondContact O-N 2.93Å; L424-N427 PolarHBondContact O-N 2.73Å; L424-L430 HydrophobicContact CB-CD2 4.42Å; L424-L430 HydrophobicContact CD1-CB 4.2Å; L424-L430 HydrophobicContact CD1-CD2 3.99Å; L424-L430 HydrophobicContact CD1-CG 3.9Å; L424-R431 HydrophobicContact CD1-CG 3.73Å; L424-R431 HydrophobicContact CG-CG 4.17Å; L424-R431 WeakPolarHBondContact O-CG 3.26Å; L424-V434 HydrophobicContact CD1-CG2 3.93Å; L424-Y444 HydrophobicContact CD1-CE1 4.48Å; L424-Y444 HydrophobicContact CD2-CE1 4.07Å; L424-Y444 HydrophobicContact CG-CE1 4.17Å
425A92.6Very high95Very high56 Ų5644.4 Ų44.446%0.46321%0.206SC..Hα-helixtrans-63.7-33.5-178.600000112.9G421G421-A425 WeakPolarHBondContact O-CB 3.3Å; G421-A425 PolarHBondContact O-N 2.94Å
426R92.1Very high94.9Very high204 Ų20441.4 Ų41.477%0.7719%0.194SC*.Hα-helixtrans-95.9-7.5-175.8-63.3176-176.2-1781.3114.1S422 L424S422-R426 WeakPolarHBondContact O-CB 3.32Å; S422-R426 VanDerWaalsContact O-CG 3.31Å; S422-R426 WeakPolarHBondContact O-CG 3.4Å; S422-R426 PolarHBondContact O-N 2.72Å; L424-R426 VanDerWaalsContact C-N 3.28Å; L424-R426 PolarHBondContact O-N 2.93Å
427N95.3Very high94.9Very high2 Ų240 Ų401%0.01120%0.196CC..  trans-121101-174.7-172.3-17.4000111.2I345 C393 A423 L424 V429 L430 R431I345-N427 HydrophobicContact CD1-CB 4.25Å; C393-N427 PolarHBondContact SG-ND2 2.85Å; A423-N427 WeakPolarHBondContact O-CB 3.25Å; A423-N427 PolarHBondContact O-N 2.91Å; L424-N427 PolarHBondContact O-N 2.73Å; N427-V429 VanDerWaalsContact C-N 3.33Å; N427-V429 PolarHBondContact O-N 2.88Å; N427-V429 WeakPolarHBondContact OD1-CB 3.23Å; N427-V429 PolarHBondContact OD1-N 3.32Å; N427-V429 VanDerWaalsContact OD1-N 3.07Å; N427-L430 HydrophobicContact CB-CB 3.91Å; N427-L430 PolarHBondContact O-N 3.21Å; N427-L430 PolarHBondContact OD1-N 2.95Å; N427-L430 VanDerWaalsContact OD1-N 3.12Å; N427-R431 PolarHBondContact O-N 2.78Å
428E95.9Very high94.8Very high88 Ų8840.1 Ų40.141%0.41120%0.197SC..Hα-helixtrans-64.3-34.4178.2-172.4173.3163.300113.5L349 L430 R431 Q432L349-E428 HydrophobicContact CD1-CB 4.47Å; L349-E428 HydrophobicContact CD2-CB 4.26Å; L349-E428 HydrophobicContact CD2-CG 4.08Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.16Å; E428-R431 PolarHBondContact O-N 3.26Å; E428-Q432 WeakPolarHBondContact O-CG 3.01Å; E428-Q432 PolarHBondContact O-N 3.35Å
429V97.3Very high94.5Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-61.9-44175.81790000109.7I345 A348 L349 R390 C393 N427 R431 Q432 E433I345-V429 HydrophobicContact CG2-CG2 4.33Å; A348-V429 HydrophobicContact CB-CG1 4.26Å; A348-V429 HydrophobicContact CB-CG2 3.73Å; L349-V429 HydrophobicContact CD2-CG2 3.72Å; L349-V429 HydrophobicContact CG-CG2 3.74Å; R390-V429 HydrophobicContact CB-CG1 4.09Å; R390-V429 HydrophobicContact CG-CG1 3.98Å; C393-V429 HydrophobicContact CB-CG1 3.96Å; N427-V429 VanDerWaalsContact C-N 3.33Å; N427-V429 PolarHBondContact O-N 2.88Å; N427-V429 WeakPolarHBondContact OD1-CB 3.23Å; N427-V429 PolarHBondContact OD1-N 3.32Å; N427-V429 VanDerWaalsContact OD1-N 3.07Å; V429-R431 VanDerWaalsContact C-N 3.32Å; V429-R431 PolarHBondContact O-N 2.91Å; V429-Q432 WeakPolarHBondContact O-CB 3.41Å; V429-Q432 PolarHBondContact O-N 3.39Å; V429-E433 WeakPolarHBondContact O-CG 3.11Å; V429-E433 PolarHBondContact O-N 2.89Å
430L96.3Very high94.3Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-62.4-39.1177.2-163.367.3000112I268 C393 V396 V397 L424 N427 E428 E433 V434I268-L430 HydrophobicContact CB-CD2 4.37Å; I268-L430 HydrophobicContact CD1-CD2 3.99Å; I268-L430 HydrophobicContact CD1-CG 4.35Å; I268-L430 HydrophobicContact CG2-CD2 4.01Å; C393-L430 HydrophobicContact CB-CD1 3.85Å; C393-L430 WeakPolarHBondContact O-CD1 3.19Å; V396-L430 HydrophobicContact CB-CD1 4.4Å; V396-L430 HydrophobicContact CG1-CD1 4.48Å; V397-L430 HydrophobicContact CG2-CD1 3.71Å; V397-L430 HydrophobicContact CG2-CG 4.38Å; L424-L430 HydrophobicContact CB-CD2 4.42Å; L424-L430 HydrophobicContact CD1-CB 4.2Å; L424-L430 HydrophobicContact CD1-CD2 3.99Å; L424-L430 HydrophobicContact CD1-CG 3.9Å; N427-L430 HydrophobicContact CB-CB 3.91Å; N427-L430 PolarHBondContact O-N 3.21Å; N427-L430 PolarHBondContact OD1-N 2.95Å; N427-L430 VanDerWaalsContact OD1-N 3.12Å; E428-L430 VanDerWaalsContact C-N 3.31Å; E428-L430 PolarHBondContact O-N 3.16Å; L430-E433 PolarHBondContact O-N 2.98Å; L430-V434 WeakPolarHBondContact O-CG2 3.42Å; L430-V434 PolarHBondContact O-N 3.2Å
431R96.6Very high94.2Very high78 Ų7851.8 Ų51.829%0.29426%0.258SS..Hα-helixtrans-61.7-46.4174.1-69.5-174.5-74.8153.82112L424 N427 E428 V429 E433 V434 E435 Y444L424-R431 HydrophobicContact CD1-CG 3.73Å; L424-R431 HydrophobicContact CG-CG 4.17Å; L424-R431 WeakPolarHBondContact O-CG 3.26Å; N427-R431 PolarHBondContact O-N 2.78Å; E428-R431 PolarHBondContact O-N 3.26Å; V429-R431 VanDerWaalsContact C-N 3.32Å; V429-R431 PolarHBondContact O-N 2.91Å; R431-E433 VanDerWaalsContact C-N 3.3Å; R431-E433 PolarHBondContact O-N 2.87Å; R431-V434 WeakPolarHBondContact O-CB 3.41Å; R431-V434 PolarHBondContact O-N 2.97Å; R431-V434 VanDerWaalsContact O-N 3.15Å; R431-E435 WeakPolarHBondContact O-CG 3.24Å; R431-E435 PolarHBondContact O-N 3.48Å; R431-Y444 HydrophobicContact CB-CE1 4.36Å; R431-Y444 HydrophobicContact CB-CE2 4.46Å; R431-Y444 HydrophobicContact CG-CD1 4.37Å; R431-Y444 HydrophobicContact CG-CE1 3.72Å; R431-Y444 HydrophobicContact CG-CE2 4.42Å; R431-Y444 PolarHBondContact O-OH 3.13Å
432Q96.3Very high94.4Very high49 Ų4952.7 Ų52.723%0.22926%0.263CS..Hα-helixtrans-58.3-41.4174.8-69.4176.30.400112E428 V429 E435 R436E428-Q432 WeakPolarHBondContact O-CG 3.01Å; E428-Q432 PolarHBondContact O-N 3.35Å; V429-Q432 WeakPolarHBondContact O-CB 3.41Å; V429-Q432 PolarHBondContact O-N 3.39Å; Q432-E435 PolarHBondContact O-N 3.47Å; Q432-R436 WeakPolarHBondContact O-CD 3.39Å; Q432-R436 VanDerWaalsContact O-CG 3.22Å; Q432-R436 WeakPolarHBondContact O-CG 3.26Å; Q432-R436 PolarHBondContact O-N 2.9Å
433E96.8Very high94.6Very high8 Ų852 Ų524%0.03726%0.256CS..Hα-helixtrans-70.5-32.4177.8-61.4-52.6138.100112.6R390 C393 R394 V397 V429 L430 R431 R436 A437R390-E433 IonicContact CZ-OE1 2.57Å; R390-E433 IonicContact NH1-OE1 2.63Å; R390-E433 PolarHBondContact NH1-OE1 3.29Å; C393-E433 HydrophobicContact CB-CG 4.39Å; R394-E433 HydrophobicContact CB-CB 4.49Å; R394-E433 HydrophobicContact CB-CG 4.01Å; V397-E433 HydrophobicContact CG2-CB 4.07Å; V429-E433 WeakPolarHBondContact O-CG 3.11Å; V429-E433 PolarHBondContact O-N 2.89Å; L430-E433 PolarHBondContact O-N 2.98Å; R431-E433 VanDerWaalsContact C-N 3.3Å; R431-E433 PolarHBondContact O-N 2.87Å; E433-R436 PolarHBondContact O-N 3.26Å; E433-R436 IonicContact OE1-CZ 2.76Å; E433-R436 IonicContact OE1-NH1 3.82Å; E433-R436 PolarHBondContact OE1-NH1 3.07Å; E433-R436 IonicContact OE2-NH1 3.91Å; E433-A437 VanDerWaalsContact O-CB 3.31Å; E433-A437 WeakPolarHBondContact O-CB 3.21Å; E433-A437 PolarHBondContact O-N 3.12Å
434V97Very high94.5Very high0 Ų054.7 Ų54.70%026%0.263CS..Hα-helixtrans-63.2-49.4170.8168.10000111L266 I268 V397 L417 L424 L430 R431 R436 A437 F438 V442L266-V434 HydrophobicContact CD2-CB 4.36Å; L266-V434 HydrophobicContact CD2-CG1 3.73Å; L266-V434 HydrophobicContact CD2-CG2 3.61Å; I268-V434 HydrophobicContact CD1-CG2 4.35Å; V397-V434 HydrophobicContact CG1-CG2 4.09Å; V397-V434 HydrophobicContact CG2-CG2 3.69Å; L417-V434 HydrophobicContact CD2-CG1 3.85Å; L424-V434 HydrophobicContact CD1-CG2 3.93Å; L430-V434 WeakPolarHBondContact O-CG2 3.42Å; L430-V434 PolarHBondContact O-N 3.2Å; R431-V434 WeakPolarHBondContact O-CB 3.41Å; R431-V434 PolarHBondContact O-N 2.97Å; R431-V434 VanDerWaalsContact O-N 3.15Å; V434-R436 PolarHBondContact O-N 3.41Å; V434-A437 PolarHBondContact O-N 2.93Å; V434-A437 VanDerWaalsContact O-N 3.16Å; V434-F438 HydrophobicContact CG1-CD2 4.12Å; V434-F438 WeakPolarHBondContact O-CD2 3.46Å; V434-F438 PolarHBondContact O-N 3.47Å; V434-V442 HydrophobicContact CG1-CG1 4.2Å; V434-V442 HydrophobicContact CG1-CG2 4.38Å
435E95.8Very high93.6Very high102 Ų10258.1 Ų58.148%0.47730%0.3SS..Hα-helixtrans-61.8-31.6178.7-69170.6173.400112.2R431 Q432 V442 Y444R431-E435 WeakPolarHBondContact O-CG 3.24Å; R431-E435 PolarHBondContact O-N 3.48Å; Q432-E435 PolarHBondContact O-N 3.47Å; E435-V442 HydrophobicContact CG-CB 4.35Å; E435-V442 HydrophobicContact CG-CG2 4.17Å; E435-Y444 WeakPolarHBondContact OE1-CE2 3.41Å
436R94.5Very high92.7Very high135 Ų13560.1 Ų60.151%0.50930%0.299SS..Hα-helixtrans-72.7-41.6173.2-73168-178.7-176.9-6.2112.7E352 Q432 E433 V434E352-R436 PolarHBondContact O-NH1 3.22Å; E352-R436 PolarHBondContact O-NH2 3.04Å; Q432-R436 WeakPolarHBondContact O-CD 3.39Å; Q432-R436 VanDerWaalsContact O-CG 3.22Å; Q432-R436 WeakPolarHBondContact O-CG 3.26Å; Q432-R436 PolarHBondContact O-N 2.9Å; E433-R436 PolarHBondContact O-N 3.26Å; E433-R436 IonicContact OE1-CZ 2.76Å; E433-R436 IonicContact OE1-NH1 3.82Å; E433-R436 PolarHBondContact OE1-NH1 3.07Å; E433-R436 IonicContact OE2-NH1 3.91Å; V434-R436 PolarHBondContact O-N 3.41Å
437A94.8Very high92.1Very high34 Ų3455.5 Ų55.528%0.28129%0.29SS..Hα-helixtrans-76-31-175.600000113.1V397 E433 V434 P439V397-A437 HydrophobicContact CG1-CB 3.43Å; V397-A437 VanDerWaalsContact CG1-CB 3.43Å; E433-A437 VanDerWaalsContact O-CB 3.31Å; E433-A437 WeakPolarHBondContact O-CB 3.21Å; E433-A437 PolarHBondContact O-N 3.12Å; V434-A437 PolarHBondContact O-N 2.93Å; V434-A437 VanDerWaalsContact O-N 3.16Å; A437-P439 WeakPolarHBondContact O-CD 3.48Å
438F94.1Very high91.6Very high2 Ų256.5 Ų56.51%0.00930%0.298CS..  trans-116.7102-177.1-63-80.4000110.3L266 L274 V397 A401 L409 L417 V434 L440L266-F438 HydrophobicContact CD2-CE2 4.12Å; L274-F438 HydrophobicContact CD2-CE1 3.83Å; L274-F438 HydrophobicContact CD2-CZ 3.91Å; V397-F438 HydrophobicContact CG1-CD2 4.47Å; V397-F438 HydrophobicContact CG1-CE2 3.94Å; A401-F438 HydrophobicContact CB-CE1 4.36Å; A401-F438 HydrophobicContact CB-CE2 4.5Å; A401-F438 HydrophobicContact CB-CZ 3.88Å; L409-F438 HydrophobicContact CD1-CD1 3.99Å; L409-F438 HydrophobicContact CD1-CE1 3.99Å; L417-F438 HydrophobicContact CD2-CB 4.02Å; L417-F438 HydrophobicContact CD2-CD2 3.84Å; L417-F438 HydrophobicContact CD2-CE2 4.46Å; L417-F438 HydrophobicContact CD2-CG 3.86Å; V434-F438 HydrophobicContact CG1-CD2 4.12Å; V434-F438 WeakPolarHBondContact O-CD2 3.46Å; V434-F438 PolarHBondContact O-N 3.47Å; F438-L440 PolarHBondContact O-N 3.09Å
439P89.6Confident91.5Very high91 Ų9153.6 Ų53.659%0.59129%0.286SS*.  trans-72.752.4174.632.3-40.1000112.5V406 A437V406-P439 HydrophobicContact CG2-CG 4.09Å; A437-P439 WeakPolarHBondContact O-CD 3.48Å
440L91.6Very high91.4Very high32 Ų3254.2 Ų54.217%0.16829%0.29CS..SBendtrans-125.5161.2177.1-63.9174.8000108.7L409 V414 F438 V442L409-L440 HydrophobicContact CD1-CD1 4.26Å; V414-L440 HydrophobicContact CG1-CD1 4Å; F438-L440 PolarHBondContact O-N 3.09Å; L440-V442 PolarHBondContact O-N 2.61Å; L440-V442 VanDerWaalsContact O-N 3.11Å
441Q92.9Very high91.5Very high130 Ų13054.2 Ų54.261%0.60729%0.29SS*.EExtended strand (participates in β ladder)trans-62.3118.8168.6-176.3-176.921.400108.7R416 L417 V443R416-Q441 CarbonylContact C-O 3.59Å; R416-Q441 WeakPolarHBondContact CA-O 3.31Å; R416-Q441 HydrophobicContact CG-CB 4.5Å; R416-Q441 WeakPolarHBondContact CG-O 3.17Å; L417-Q441 PolarHBondContact N-O 3.17Å; Q441-V443 HydrophobicContact CG-CG1 4.31Å
442V94.6Very high91.5Very high26 Ų2651.5 Ų51.516%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-99130.4173.9-166.30000109.1L417 V434 E435 L440 Y444L417-V442 HydrophobicContact CB-CG1 4.43Å; L417-V442 HydrophobicContact CB-CG2 4.33Å; L417-V442 HydrophobicContact CD2-CG1 4.46Å; L417-V442 HydrophobicContact CD2-CG2 4.36Å; L417-V442 CarbonylContact O-C 3.56Å; L417-V442 VanDerWaalsContact O-CA 3.31Å; L417-V442 WeakPolarHBondContact O-CA 3.43Å; V434-V442 HydrophobicContact CG1-CG1 4.2Å; V434-V442 HydrophobicContact CG1-CG2 4.38Å; E435-V442 HydrophobicContact CG-CB 4.35Å; E435-V442 HydrophobicContact CG-CG2 4.17Å; L440-V442 PolarHBondContact O-N 2.61Å; L440-V442 VanDerWaalsContact O-N 3.11Å; V442-Y444 HydrophobicContact CB-CE2 4.38Å; V442-Y444 HydrophobicContact CG1-CE1 3.88Å; V442-Y444 HydrophobicContact CG1-CE2 3.9Å; V442-Y444 VanDerWaalsContact CG1-CZ 3.48Å; V442-Y444 WeakPolarHBondContact CG1-OH 3.46Å
443V94.2Very high91.4Very high38 Ų3849.2 Ų49.223%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-118.7140.4175.5-63.10000110.1R416 L417 V418 G419 Q441R416-V443 HydrophobicContact CG-CG1 4.24Å; R416-V443 HydrophobicContact CG-CG2 4.07Å; L417-V443 PolarHBondContact O-N 2.97Å; V418-V443 HydrophobicContact CB-CG2 4.21Å; V418-V443 HydrophobicContact CG1-CG2 4.29Å; V418-V443 HydrophobicContact CG2-CG2 3.82Å; G419-V443 PolarHBondContact N-O 2.97Å; Q441-V443 HydrophobicContact CG-CG1 4.31Å
444Y91.8Very high91.5Very high72 Ų7248.8 Ų48.828%0.28227%0.269SS..  trans-122.9166.6178.8-56.9-75.5000110L424 R431 E435 V442L424-Y444 HydrophobicContact CD1-CE1 4.48Å; L424-Y444 HydrophobicContact CD2-CE1 4.07Å; L424-Y444 HydrophobicContact CG-CE1 4.17Å; R431-Y444 HydrophobicContact CB-CE1 4.36Å; R431-Y444 HydrophobicContact CB-CE2 4.46Å; R431-Y444 HydrophobicContact CG-CD1 4.37Å; R431-Y444 HydrophobicContact CG-CE1 3.72Å; R431-Y444 HydrophobicContact CG-CE2 4.42Å; R431-Y444 PolarHBondContact O-OH 3.13Å; E435-Y444 WeakPolarHBondContact OE1-CE2 3.41Å; V442-Y444 HydrophobicContact CB-CE2 4.38Å; V442-Y444 HydrophobicContact CG1-CE1 3.88Å; V442-Y444 HydrophobicContact CG1-CE2 3.9Å; V442-Y444 VanDerWaalsContact CG1-CZ 3.48Å; V442-Y444 WeakPolarHBondContact CG1-OH 3.46Å
445G76.1Confident91.5Very high74 Ų7448.8 Ų48.876%0.76327%0.269SS*.SBendtrans103-4173.500000114.9
446Q72.5Confident91.5Very high98 Ų9845.4 Ų45.446%0.45825%0.254SS..  trans-107.5106.9166-70.5-176.5-13.100108.8C257C257-Q446 PolarHBondContact O-OE1 2.88Å
447N79.8Confident91.5Very high107 Ų10739 Ų3957%0.57223%0.23SC*.  trans-82130.8173.4-72.2-31.8000109.3D449N447-D449 PolarHBondContact O-N 3.11Å
448A85.8Confident91.5Very high23 Ų2337.4 Ų37.419%0.1922%0.217CC..  trans-62.6125.8174.500000109.7S253 S256 C257 S420S253-A448 WeakPolarHBondContact OG-CB 3.37Å; S256-A448 WeakPolarHBondContact OG-CA 3.48Å; C257-A448 WeakPolarHBondContact SG-CA 3.38Å; C257-A448 WeakPolarHBondContact SG-CB 3.3Å; C257-A448 PolarHBondContact SG-N 2.7Å; C257-A448 VanDerWaalsContact SG-N 3.39Å; S420-A448 VanDerWaalsContact OG-CB 3.27Å; S420-A448 WeakPolarHBondContact OG-CB 3.4Å; S420-A448 PolarHBondContact OG-N 3.26Å
449D92.8Very high91.4Very high27 Ų2738.7 Ų38.714%0.14423%0.226CC..  trans-145.6106.5-169.7-173.6-27.1000109.8K19 S256 N447 A451 V452 G453K19-D449 VanDerWaalsContact CE-OD2 3.24Å; K19-D449 WeakPolarHBondContact CE-OD2 3.08Å; K19-D449 IonicContact NZ-OD1 3.05Å; K19-D449 IonicContact NZ-OD2 2.73Å; K19-D449 PolarHBondContact NZ-OD2 3.09Å; S256-D449 WeakPolarHBondContact CB-O 3.45Å; S256-D449 PolarHBondContact OG-N 2.94Å; S256-D449 PolarHBondContact OG-O 3.11Å; N447-D449 PolarHBondContact O-N 3.11Å; D449-A451 VanDerWaalsContact C-N 3.3Å; D449-A451 PolarHBondContact O-N 3.28Å; D449-A451 PolarHBondContact OD1-N 3.16Å; D449-A451 VanDerWaalsContact OD1-N 3.09Å; D449-V452 HydrophobicContact CB-CB 4.02Å; D449-V452 HydrophobicContact CB-CG2 4.01Å; D449-V452 PolarHBondContact O-N 2.87Å; D449-V452 PolarHBondContact OD1-N 3.35Å; D449-V452 WeakPolarHBondContact OD2-CG2 3.29Å; D449-G453 PolarHBondContact O-N 2.93Å
450S95.7Very high91.5Very high13 Ų1337.1 Ų37.19%0.09121%0.212CC..Hα-helixtrans-62.5-36.7-175.9-46.20000112.3T83 D249 C252 V452 G453 V454T83-S450 WeakPolarHBondContact CG2-O 3.32Å; D249-S450 PolarHBondContact O-OG 2.83Å; D249-S450 VanDerWaalsContact O-OG 3.09Å; C252-S450 WeakPolarHBondContact CB-O 3.47Å; S450-V452 VanDerWaalsContact C-N 3.35Å; S450-V452 PolarHBondContact O-N 3.23Å; S450-G453 PolarHBondContact O-N 3.45Å; S450-V454 PolarHBondContact O-N 3.47Å
451A97.7Very high91.2Very high0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-66.1-40.3179.400000111G10 D12 K19 V21 D449 V454 A455G10-A451 WeakPolarHBondContact CA-O 3.26Å; D12-A451 HydrophobicContact CB-CB 3.86Å; K19-A451 HydrophobicContact CB-CB 4.28Å; K19-A451 HydrophobicContact CD-CB 4.29Å; K19-A451 HydrophobicContact CG-CB 4.09Å; V21-A451 HydrophobicContact CG1-CB 4.06Å; V21-A451 VanDerWaalsContact CG2-C 3.48Å; V21-A451 HydrophobicContact CG2-CB 3.97Å; V21-A451 VanDerWaalsContact CG2-O 3.31Å; V21-A451 WeakPolarHBondContact CG2-O 3.46Å; D449-A451 VanDerWaalsContact C-N 3.3Å; D449-A451 PolarHBondContact O-N 3.28Å; D449-A451 PolarHBondContact OD1-N 3.16Å; D449-A451 VanDerWaalsContact OD1-N 3.09Å; A451-V454 VanDerWaalsContact O-CG1 3.3Å; A451-V454 WeakPolarHBondContact O-CG1 3.17Å; A451-A455 PolarHBondContact O-N 3.15Å
452V96.6Very high90.5Very high21 Ų2136.3 Ų36.313%0.12721%0.206CC..Hα-helixtrans-67.4-43.5172.5177.20000110.5V21 V30 D449 S450 V454 A455 M456V21-V452 HydrophobicContact CG1-CG2 4.13Å; V21-V452 HydrophobicContact CG2-CG2 4.12Å; V30-V452 HydrophobicContact CG2-CG1 4.33Å; V30-V452 HydrophobicContact CG2-CG2 3.73Å; D449-V452 HydrophobicContact CB-CB 4.02Å; D449-V452 HydrophobicContact CB-CG2 4.01Å; D449-V452 PolarHBondContact O-N 2.87Å; D449-V452 PolarHBondContact OD1-N 3.35Å; D449-V452 WeakPolarHBondContact OD2-CG2 3.29Å; S450-V452 VanDerWaalsContact C-N 3.35Å; S450-V452 PolarHBondContact O-N 3.23Å; V452-V454 PolarHBondContact O-N 2.84Å; V452-A455 PolarHBondContact O-N 3.27Å; V452-M456 HydrophobicContact CG1-CG 4.14Å; V452-M456 HydrophobicContact CG1-SD 3.72Å; V452-M456 WeakPolarHBondContact O-CB 3.44Å; V452-M456 WeakPolarHBondContact O-CG 3.48Å; V452-M456 PolarHBondContact O-N 3.45Å
453G96Very high90.3Very high0 Ų036.9 Ų36.90%021%0.208CC..Hα-helixtrans-57.6-46179.600000113.8C252 D449 S450 M456 A457C252-G453 VanDerWaalsContact O-CA 3.28Å; C252-G453 WeakPolarHBondContact O-CA 3.42Å; D449-G453 PolarHBondContact O-N 2.93Å; S450-G453 PolarHBondContact O-N 3.45Å; G453-M456 PolarHBondContact O-N 3.1Å; G453-A457 WeakPolarHBondContact O-CB 3.2Å; G453-A457 PolarHBondContact O-N 2.8Å
454V97.7Very high90.1Very high0 Ų036.8 Ų36.80%021%0.207CC..Hα-helixtrans-66.4-39.8177.368.70000111.4T83 L247 S450 A451 V452 A457 L458T83-V454 HydrophobicContact CG2-CB 4.12Å; T83-V454 HydrophobicContact CG2-CG1 3.94Å; L247-V454 HydrophobicContact CB-CG2 4.49Å; L247-V454 HydrophobicContact CD1-CG2 3.98Å; L247-V454 HydrophobicContact CG-CG2 4.21Å; S450-V454 PolarHBondContact O-N 3.47Å; A451-V454 VanDerWaalsContact O-CG1 3.3Å; A451-V454 WeakPolarHBondContact O-CG1 3.17Å; V452-V454 PolarHBondContact O-N 2.84Å; V454-A457 PolarHBondContact O-N 2.97Å; V454-L458 HydrophobicContact CG2-CD1 4.06Å; V454-L458 WeakPolarHBondContact O-CD1 3.47Å; V454-L458 PolarHBondContact O-N 3.31Å
455A96.9Very high90Very high0 Ų034.8 Ų34.80%020%0.203CC..Hα-helixtrans-65-40.7176.400000112I8 V21 L23 A451 V452 L458 C459I8-A455 HydrophobicContact CG2-CB 3.97Å; V21-A455 HydrophobicContact CG2-CB 4.46Å; L23-A455 HydrophobicContact CB-CB 3.8Å; L23-A455 HydrophobicContact CD2-CB 4.02Å; L23-A455 HydrophobicContact CG-CB 4.47Å; A451-A455 PolarHBondContact O-N 3.15Å; V452-A455 PolarHBondContact O-N 3.27Å; A455-L458 PolarHBondContact O-N 3.48Å; A455-C459 WeakPolarHBondContact O-CB 3.32Å; A455-C459 PolarHBondContact O-N 2.56Å
456M95.5Very high90.9Very high30 Ų3032.5 Ų32.515%0.14817%0.17CC..Hα-helixtrans-65-44.5174.7-73.1176.459.300111.6L23 Y255 V452 G453 L458 C459 D460L23-M456 HydrophobicContact CD1-CG 4.5Å; L23-M456 HydrophobicContact CD2-CG 3.97Å; Y255-M456 HydrophobicContact CD1-CB 3.94Å; Y255-M456 HydrophobicContact CE1-CB 3.83Å; V452-M456 HydrophobicContact CG1-CG 4.14Å; V452-M456 HydrophobicContact CG1-SD 3.72Å; V452-M456 WeakPolarHBondContact O-CB 3.44Å; V452-M456 WeakPolarHBondContact O-CG 3.48Å; V452-M456 PolarHBondContact O-N 3.45Å; G453-M456 PolarHBondContact O-N 3.1Å; M456-L458 VanDerWaalsContact C-N 3.3Å; M456-L458 PolarHBondContact O-N 3.13Å; M456-C459 WeakPolarHBondContact O-CB 3.33Å; M456-C459 PolarHBondContact O-N 2.93Å; M456-C459 VanDerWaalsContact O-N 3.1Å; M456-D460 WeakPolarHBondContact O-CB 3.17Å; M456-D460 VanDerWaalsContact O-CG 3.28Å; M456-D460 PolarHBondContact O-N 3.25Å
457A94.9Very high92Very high1 Ų128.4 Ų28.41%0.00815%0.152CC..Hα-helixtrans-60.5-40.7177.900000111.7L247 Y255 F300 G453 V454 D460 R461L247-A457 HydrophobicContact CD1-CB 4.04Å; Y255-A457 HydrophobicContact CD1-CB 4.29Å; Y255-A457 HydrophobicContact CE1-CB 4.17Å; Y255-A457 HydrophobicContact CE2-CB 4.48Å; Y255-A457 HydrophobicContact CG-CB 4.49Å; F300-A457 HydrophobicContact CE1-CB 4.08Å; F300-A457 HydrophobicContact CZ-CB 3.64Å; G453-A457 WeakPolarHBondContact O-CB 3.2Å; G453-A457 PolarHBondContact O-N 2.8Å; V454-A457 PolarHBondContact O-N 2.97Å; A457-D460 PolarHBondContact O-N 2.78Å; A457-R461 VanDerWaalsContact O-CB 3.25Å; A457-R461 WeakPolarHBondContact O-CB 3.44Å; A457-R461 WeakPolarHBondContact O-CG 2.84Å; A457-R461 PolarHBondContact O-N 3.13Å; A457-R461 VanDerWaalsContact O-N 3.14Å
458L94.3Very high92.8Very high1 Ų123.2 Ų23.21%0.00512%0.124CC..Hα-helixtrans-64.7-42.5172.6-96.265.8000111.9I8 R79 V80 G81 V454 A455 M456 D460 L462I8-L458 HydrophobicContact CG2-CB 3.99Å; I8-L458 HydrophobicContact CG2-CD2 4.19Å; R79-L458 HydrophobicContact CB-CD2 4.02Å; V80-L458 VanDerWaalsContact C-CD2 3.46Å; V80-L458 WeakPolarHBondContact O-CD2 3.29Å; G81-L458 VanDerWaalsContact CA-CD2 3.45Å; V454-L458 HydrophobicContact CG2-CD1 4.06Å; V454-L458 WeakPolarHBondContact O-CD1 3.47Å; V454-L458 PolarHBondContact O-N 3.31Å; A455-L458 PolarHBondContact O-N 3.48Å; M456-L458 VanDerWaalsContact C-N 3.3Å; M456-L458 PolarHBondContact O-N 3.13Å; L458-D460 PolarHBondContact O-N 3.07Å; L458-L462 HydrophobicContact CG-CD1 4.07Å; L458-L462 WeakPolarHBondContact O-CB 3.23Å; L458-L462 PolarHBondContact O-N 3.21Å; L458-L462 VanDerWaalsContact O-N 3.14Å
459C93.2Very high93.3Very high29 Ų2923.2 Ų23.220%0.19612%0.119CC..Hα-helixtrans-60.1-34.8178.3-167.60000112.8I8 L23 A455 M456I8-C459 VanDerWaalsContact CD1-CA 3.45Å; I8-C459 HydrophobicContact CD1-CB 3.46Å; I8-C459 VanDerWaalsContact CD1-CB 3.46Å; L23-C459 HydrophobicContact CD2-CB 4.19Å; A455-C459 WeakPolarHBondContact O-CB 3.32Å; A455-C459 PolarHBondContact O-N 2.56Å; M456-C459 WeakPolarHBondContact O-CB 3.33Å; M456-C459 PolarHBondContact O-N 2.93Å; M456-C459 VanDerWaalsContact O-N 3.1Å
460D91.3Very high93.4Very high58 Ų5822.9 Ų22.931%0.3112%0.117SC..Hα-helixtrans-91.6-25.2-170.1-71.77.2000112.8R28 Y255 M456 A457 L458R28-D460 VanDerWaalsContact CZ-CG 3.46Å; R28-D460 IonicContact CZ-OD1 2.78Å; R28-D460 IonicContact CZ-OD2 3.73Å; R28-D460 IonicContact NE-OD1 3.59Å; R28-D460 PolarHBondContact NE-OD1 3.36Å; R28-D460 VanDerWaalsContact NE-OD1 3.1Å; R28-D460 IonicContact NE-OD2 3.85Å; R28-D460 IonicContact NH1-OD1 3.86Å; R28-D460 IonicContact NH1-OD2 2.77Å; R28-D460 PolarHBondContact NH1-OD2 2.83Å; R28-D460 IonicContact NH2-OD1 2.7Å; R28-D460 PolarHBondContact NH2-OD1 3.29Å; R28-D460 IonicContact NH2-OD2 3.92Å; R28-D460 PolarHBondContact NH2-OD2 3.2Å; Y255-D460 WeakPolarHBondContact OH-CB 3.16Å; Y255-D460 PolarHBondContact OH-OD2 2.85Å; Y255-D460 VanDerWaalsContact OH-OD2 3.11Å; M456-D460 WeakPolarHBondContact O-CB 3.17Å; M456-D460 VanDerWaalsContact O-CG 3.28Å; M456-D460 PolarHBondContact O-N 3.25Å; A457-D460 PolarHBondContact O-N 2.78Å; L458-D460 PolarHBondContact O-N 3.07Å
461R84.8Confident93.2Very high82 Ų8223.8 Ų23.831%0.30912%0.119SC..Hα-helixtrans-114.7-16.9-168.5-61.9-178.8166.5-81.5-7.4114.2D301 A457D301-R461 IonicContact OD1-CZ 3.86Å; D301-R461 IonicContact OD1-NH1 2.61Å; D301-R461 PolarHBondContact OD1-NH1 2.98Å; D301-R461 IonicContact OD1-NH2 3.96Å; D301-R461 IonicContact OD2-CZ 2.77Å; D301-R461 VanDerWaalsContact OD2-CZ 3.32Å; D301-R461 IonicContact OD2-NH1 2.82Å; D301-R461 PolarHBondContact OD2-NH1 3.15Å; D301-R461 IonicContact OD2-NH2 4Å; D301-R461 PolarHBondContact OD2-NH2 3.24Å; A457-R461 VanDerWaalsContact O-CB 3.25Å; A457-R461 WeakPolarHBondContact O-CB 3.44Å; A457-R461 WeakPolarHBondContact O-CG 2.84Å; A457-R461 PolarHBondContact O-N 3.13Å; A457-R461 VanDerWaalsContact O-N 3.14Å
462L79.4Confident92.8Very high63 Ų6325.9 Ų25.933%0.3313%0.13SC..  trans-127.90-173.3-73.6175.5000109.8R79 G224 L226 L458R79-L462 PolarHBondContact NH1-O 2.88Å; R79-L462 PolarHBondContact NH1-OXT 2.62Å; R79-L462 PolarHBondContact NH2-O 2.75Å; R79-L462 PolarHBondContact NH2-OXT 3.49Å; G224-L462 WeakPolarHBondContact O-CD1 3.46Å; G224-L462 WeakPolarHBondContact O-CD2 3.46Å; G224-L462 WeakPolarHBondContact O-CG 3.26Å; L226-L462 HydrophobicContact CD1-CD2 4.35Å; L226-L462 HydrophobicContact CD2-CD1 3.66Å; L226-L462 HydrophobicContact CG-CD1 3.83Å; L226-L462 HydrophobicContact CG-CD2 3.83Å; L226-L462 HydrophobicContact CG-CG 4.37Å; L458-L462 HydrophobicContact CG-CD1 4.07Å; L458-L462 WeakPolarHBondContact O-CB 3.23Å; L458-L462 PolarHBondContact O-N 3.21Å; L458-L462 VanDerWaalsContact O-N 3.14Å

Retrieved 462 of 462 residues in 133.2 ms (Link to these results)

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