A0A5K4F1H5_SCHMA Loading...

Drebrin-like protein

AlphaFold DB , UniProt , Accession A0A5K4F1H5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 508 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
1M80.5Confident92.9Very high208 Ų20873.9 Ų73.9100%1.02540%0.403SS*.  0137.70-169.3169.5-175.300107
2I91.6Very high93.1Very high10 Ų1072.2 Ų72.25%0.05140%0.399CS..  trans-80.9136.1175.3-173.2165.8000109L4 Y30 H35 L37 H94 C97 V98I2-L4 HydrophobicContact CD1-CD2 3.95Å; I2-L4 HydrophobicContact CG1-CD2 3.91Å; I2-L4 HydrophobicContact CG1-CG 4.42Å; I2-L4 HydrophobicContact CG2-CD1 4.38Å; I2-L4 HydrophobicContact CG2-CD2 4.34Å; I2-L4 HydrophobicContact CG2-CG 4.13Å; I2-Y30 HydrophobicContact CD1-CE1 4.22Å; I2-H35 WeakPolarHBondContact CG1-O 3.22Å; I2-L37 HydrophobicContact CD1-CB 4.2Å; I2-L37 HydrophobicContact CD1-CD1 4.39Å; I2-L37 HydrophobicContact CD1-CD2 4.4Å; I2-H94 HydrophobicContact CB-CB 4.17Å; I2-H94 HydrophobicContact CD1-CB 3.91Å; I2-H94 HydrophobicContact CG2-CB 4.32Å; I2-C97 HydrophobicContact CG2-CB 3.42Å; I2-C97 VanDerWaalsContact CG2-CB 3.42Å; I2-V98 HydrophobicContact CD1-CG2 4.17Å
3D91.9Very high93.4Very high41 Ų4171.8 Ų71.822%0.21941%0.405CS..BIsolated β-bridgetrans-91.3108175.4172.525.9000109.4N5 T6 H35 T36 L37D3-N5 PolarHBondContact OD1-N 3.41Å; D3-T6 PolarHBondContact OD1-N 3.09Å; D3-T6 VanDerWaalsContact OD2-CB 3.25Å; D3-T6 WeakPolarHBondContact OD2-CB 3.47Å; D3-T6 PolarHBondContact OD2-OG1 3.47Å; D3-H35 PolarHBondContact N-O 3.34Å; D3-T36 WeakPolarHBondContact O-CA 3.3Å; D3-T36 WeakPolarHBondContact OD2-CG2 3.37Å; D3-T36 PolarHBondContact OD2-OG1 2.88Å; D3-L37 PolarHBondContact O-N 3.24Å; D3-L37 VanDerWaalsContact O-N 3.1Å
4L92.4Very high93.7Very high34 Ų3466.9 Ų66.918%0.17838%0.378CS..  trans-103.9-2.1175.3-56.7179000111.8I2 G8 L11 L37 C97 L101I2-L4 HydrophobicContact CD1-CD2 3.95Å; I2-L4 HydrophobicContact CG1-CD2 3.91Å; I2-L4 HydrophobicContact CG1-CG 4.42Å; I2-L4 HydrophobicContact CG2-CD1 4.38Å; I2-L4 HydrophobicContact CG2-CD2 4.34Å; I2-L4 HydrophobicContact CG2-CG 4.13Å; L4-G8 WeakPolarHBondContact O-CA 3.35Å; L4-G8 PolarHBondContact O-N 3.37Å; L4-L11 HydrophobicContact CD2-CD1 4.3Å; L4-L37 HydrophobicContact CD2-CB 3.77Å; L4-L37 HydrophobicContact CD2-CD2 3.69Å; L4-L37 HydrophobicContact CD2-CG 4.4Å; L4-C97 HydrophobicContact CD1-CB 4.19Å; L4-L101 HydrophobicContact CD1-CB 4.49Å
5N92.8Very high94Very high145 Ų14562.5 Ų62.578%0.77535%0.353SS*.SBendtrans-87.8-41.7-172.6-66.4-31.2000111.3D3 N7 G8D3-N5 PolarHBondContact OD1-N 3.41Å; N5-N7 VanDerWaalsContact C-N 3.29Å; N5-N7 PolarHBondContact O-N 3.15Å; N5-G8 PolarHBondContact O-N 3.38Å
6T93.8Very high94.2Very high92 Ų9261.7 Ų61.756%0.56435%0.347SS*.THydrogen-bonded Turntrans-53.2-45.2-177.4-650000112.5D3 T36D3-T6 PolarHBondContact OD1-N 3.09Å; D3-T6 VanDerWaalsContact OD2-CB 3.25Å; D3-T6 WeakPolarHBondContact OD2-CB 3.47Å; D3-T6 PolarHBondContact OD2-OG1 3.47Å; T6-T36 HydrophobicContact CG2-CG2 4.01Å
7N94.5Very high94.3Very high37 Ų3759.1 Ų59.120%0.19833%0.334CS..THydrogen-bonded Turntrans-108.521.7176.1-60.3-38.9000112.6N5 Q9 A10 L11 L37N5-N7 VanDerWaalsContact C-N 3.29Å; N5-N7 PolarHBondContact O-N 3.15Å; N7-Q9 VanDerWaalsContact C-N 3.28Å; N7-Q9 PolarHBondContact O-N 2.98Å; N7-A10 PolarHBondContact O-N 3.47Å; N7-A10 VanDerWaalsContact O-N 3.08Å; N7-L11 HydrophobicContact CB-CD1 4.4Å; N7-L11 HydrophobicContact CB-CG 4.35Å; N7-L11 WeakPolarHBondContact O-CG 3.1Å; N7-L11 PolarHBondContact O-N 2.97Å; N7-L37 WeakPolarHBondContact CB-O 3.26Å; N7-L37 PolarHBondContact ND2-O 3.11Å
8G93.9Very high94.5Very high16 Ų1655.8 Ų55.817%0.16532%0.315CS..Hα-helixtrans-59.4-34.7-167.900000114.3L4 N5 C12L4-G8 WeakPolarHBondContact O-CA 3.35Å; L4-G8 PolarHBondContact O-N 3.37Å; N5-G8 PolarHBondContact O-N 3.38Å; G8-C12 VanDerWaalsContact O-CB 3.26Å; G8-C12 WeakPolarHBondContact O-CB 3.4Å; G8-C12 PolarHBondContact O-N 2.82Å; G8-C12 PolarHBondContact O-SG 3.48Å
9Q95.6Very high94.5Very high180 Ų18054.8 Ų54.884%0.84131%0.309SS*.Hα-helixtrans-66.2-45.7176.1-69-177.8-10.300112.1N7 S13N7-Q9 VanDerWaalsContact C-N 3.28Å; N7-Q9 PolarHBondContact O-N 2.98Å; Q9-S13 VanDerWaalsContact O-CB 3.26Å; Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 3.24Å
10A96.9Very high94.4Very high50 Ų5058.9 Ų58.941%0.41333%0.33SS..Hα-helixtrans-65.3-44.8178.600000111.2N7 S13 A14 V39N7-A10 PolarHBondContact O-N 3.47Å; N7-A10 VanDerWaalsContact O-N 3.08Å; A10-S13 PolarHBondContact O-N 2.87Å; A10-A14 WeakPolarHBondContact O-CB 3.23Å; A10-A14 PolarHBondContact O-N 3.24Å; A10-V39 HydrophobicContact CB-CG2 4.41Å
11L97.6Very high94.3Very high0 Ų057.6 Ų57.60%033%0.33CS..Hα-helixtrans-59.5-51.8176.4-67.1172.9000111.4L4 N7 S13 A14 V15 F28 L37 V39 L101L4-L11 HydrophobicContact CD2-CD1 4.3Å; N7-L11 HydrophobicContact CB-CD1 4.4Å; N7-L11 HydrophobicContact CB-CG 4.35Å; N7-L11 WeakPolarHBondContact O-CG 3.1Å; N7-L11 PolarHBondContact O-N 2.97Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.91Å; L11-A14 PolarHBondContact O-N 2.85Å; L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.04Å; L11-F28 HydrophobicContact CD2-CD1 3.4Å; L11-F28 VanDerWaalsContact CD2-CD1 3.4Å; L11-F28 HydrophobicContact CD2-CE1 3.72Å; L11-F28 HydrophobicContact CD2-CG 4.26Å; L11-L37 HydrophobicContact CD1-CB 4.2Å; L11-L37 HydrophobicContact CD1-CD2 4.45Å; L11-L37 HydrophobicContact CD2-CD2 4.23Å; L11-L37 HydrophobicContact CD2-CG 4.25Å; L11-V39 HydrophobicContact CD2-CG2 3.89Å; L11-L101 HydrophobicContact CB-CD1 4.24Å; L11-L101 HydrophobicContact CB-CD2 4.11Å; L11-L101 HydrophobicContact CD1-CD2 4.32Å; L11-L101 HydrophobicContact CD2-CD2 4.5Å
12C95.9Very high95Very high53 Ų5353.9 Ų53.936%0.35831%0.308SS..Hα-helixtrans-60.8-43178.6-71.40000112G8 N16G8-C12 VanDerWaalsContact O-CB 3.26Å; G8-C12 WeakPolarHBondContact O-CB 3.4Å; G8-C12 PolarHBondContact O-N 2.82Å; G8-C12 PolarHBondContact O-SG 3.48Å; C12-N16 WeakPolarHBondContact O-CB 3.35Å; C12-N16 PolarHBondContact O-N 3.34Å; C12-N16 PolarHBondContact O-ND2 3.35Å
13S97Very high95.2Very high68 Ų6856.5 Ų56.548%0.47632%0.317SS..Hα-helixtrans-61.7-44.9178.3-175.50000111.6Q9 A10 L11 N16 C17Q9-S13 VanDerWaalsContact O-CB 3.26Å; Q9-S13 WeakPolarHBondContact O-CB 3.47Å; Q9-S13 PolarHBondContact O-N 3.24Å; A10-S13 PolarHBondContact O-N 2.87Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 2.91Å; S13-N16 PolarHBondContact O-N 2.75Å; S13-C17 PolarHBondContact O-N 2.86Å; S13-C17 PolarHBondContact O-SG 3.01Å
14A97.6Very high95.4Very high3 Ų356.4 Ų56.43%0.02532%0.319CS..Hα-helixtrans-68.1-41.3-178.800000112.1A10 L11 C17 V18 V26 V39A10-A14 WeakPolarHBondContact O-CB 3.23Å; A10-A14 PolarHBondContact O-N 3.24Å; L11-A14 PolarHBondContact O-N 2.85Å; A14-C17 WeakPolarHBondContact O-CB 3.38Å; A14-C17 PolarHBondContact O-N 3.08Å; A14-V18 PolarHBondContact O-N 2.81Å; A14-V26 HydrophobicContact CB-CG2 3.8Å; A14-V39 HydrophobicContact CB-CG1 4.31Å; A14-V39 HydrophobicContact CB-CG2 4Å
15V97.7Very high95.7Very high1 Ų154.8 Ų54.81%0.00631%0.311CS..Hα-helixtrans-59.5-48.2172.6171.20000111.1L11 C17 V18 L19 F28 F62 L101L11-V15 WeakPolarHBondContact O-CG2 3.5Å; L11-V15 PolarHBondContact O-N 3.04Å; V15-C17 VanDerWaalsContact C-N 3.27Å; V15-C17 PolarHBondContact O-N 3.4Å; V15-V18 PolarHBondContact O-N 2.8Å; V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.22Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3.42Å; V15-F28 HydrophobicContact CG2-CE1 4.47Å; V15-F28 HydrophobicContact CG2-CE2 4.25Å; V15-F28 HydrophobicContact CG2-CZ 3.57Å; V15-F62 HydrophobicContact CG1-CE1 4.39Å; V15-L101 HydrophobicContact CG2-CG 4.21Å
16N97Very high95.9Very high49 Ų4947.9 Ų47.926%0.26227%0.274SS..Hα-helixtrans-58.2-42.1178.3-69.8-21.6000111.3C12 S13 V18 L19 D20 R103C12-N16 WeakPolarHBondContact O-CB 3.35Å; C12-N16 PolarHBondContact O-N 3.34Å; C12-N16 PolarHBondContact O-ND2 3.35Å; S13-N16 PolarHBondContact O-N 2.75Å; N16-V18 PolarHBondContact O-N 3.46Å; N16-L19 PolarHBondContact O-N 3Å; N16-L19 VanDerWaalsContact O-N 3.14Å; N16-D20 WeakPolarHBondContact O-CB 3.31Å; N16-D20 PolarHBondContact O-N 3.28Å; N16-R103 VanDerWaalsContact OD1-CZ 3.31Å; N16-R103 PolarHBondContact OD1-NH1 3.08Å; N16-R103 PolarHBondContact OD1-NH2 3.25Å
17C96.8Very high96.1Very high17 Ų1743.5 Ų43.512%0.11525%0.247CC..Hα-helixtrans-60-35.2177.1-66.70000112.5S13 A14 V15 G21 K22 W23S13-C17 PolarHBondContact O-N 2.86Å; S13-C17 PolarHBondContact O-SG 3.01Å; A14-C17 WeakPolarHBondContact O-CB 3.38Å; A14-C17 PolarHBondContact O-N 3.08Å; V15-C17 VanDerWaalsContact C-N 3.27Å; V15-C17 PolarHBondContact O-N 3.4Å; C17-G21 PolarHBondContact O-N 3.5Å; C17-K22 HydrophobicContact CB-CB 4.15Å; C17-K22 HydrophobicContact CB-CD 4.33Å; C17-K22 HydrophobicContact CB-CG 4.46Å; C17-K22 CarbonylContact O-C 3.52Å; C17-K22 WeakPolarHBondContact O-CA 3.34Å; C17-K22 WeakPolarHBondContact O-CB 3.42Å; C17-K22 PolarHBondContact O-N 2.79Å; C17-W23 HydrophobicContact CB-CG 4.13Å; C17-W23 PolarHBondContact O-N 2.71Å
18V97.2Very high96.3Very high0 Ų041.8 Ų41.80%024%0.238CC..Hα-helixtrans-73.9-39.4175.1177.20000111.9A14 V15 N16 G21 W23 V26 F62 R64 F73A14-V18 PolarHBondContact O-N 2.81Å; V15-V18 PolarHBondContact O-N 2.8Å; N16-V18 PolarHBondContact O-N 3.46Å; V18-G21 PolarHBondContact O-N 3.46Å; V18-W23 WeakPolarHBondContact CA-O 3.23Å; V18-W23 HydrophobicContact CG2-CB 3.91Å; V18-V26 HydrophobicContact CG2-CB 3.9Å; V18-V26 HydrophobicContact CG2-CG1 3.75Å; V18-F62 HydrophobicContact CB-CD1 4.02Å; V18-F62 HydrophobicContact CB-CE1 4.03Å; V18-F62 HydrophobicContact CG1-CD1 3.72Å; V18-F62 HydrophobicContact CG1-CE1 3.69Å; V18-R64 HydrophobicContact CG1-CB 3.97Å; V18-R64 WeakPolarHBondContact O-CD 3.5Å; V18-F73 HydrophobicContact CG1-CE1 4.38Å
19L95.1Very high96.3Very high38 Ų3841 Ų4120%0.19923%0.231CC..Hα-helixtrans-64.5-41.8177.5-66.7177000112.2V15 N16 G21 F62 F73 T104V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 HydrophobicContact CG1-CG 4.22Å; V15-L19 WeakPolarHBondContact O-CG 3.34Å; V15-L19 PolarHBondContact O-N 3.42Å; N16-L19 PolarHBondContact O-N 3Å; N16-L19 VanDerWaalsContact O-N 3.14Å; L19-G21 PolarHBondContact O-N 2.86Å; L19-F62 HydrophobicContact CD2-CE1 4.12Å; L19-F62 HydrophobicContact CD2-CZ 3.94Å; L19-F62 HydrophobicContact CG-CE1 4.47Å; L19-F73 HydrophobicContact CD2-CD1 4.11Å; L19-F73 HydrophobicContact CD2-CD2 4.43Å; L19-F73 HydrophobicContact CD2-CE1 3.71Å; L19-F73 HydrophobicContact CD2-CE2 4.07Å; L19-F73 HydrophobicContact CD2-CG 4.45Å; L19-F73 HydrophobicContact CD2-CZ 3.69Å; L19-T104 HydrophobicContact CD2-CG2 3.54Å
20D92.8Very high96.3Very high135 Ų13533.4 Ų33.472%0.72219%0.194SC*.THydrogen-bonded Turntrans-75.1-7.5179-62.5-23.9000112.5N16 K22N16-D20 WeakPolarHBondContact O-CB 3.31Å; N16-D20 PolarHBondContact O-N 3.28Å; D20-K22 VanDerWaalsContact C-N 3.31Å
21G91.8Very high96Very high32 Ų3234.7 Ų34.733%0.3319%0.192SC..THydrogen-bonded Turntrans78.59.8-177.500000114.5C17 V18 L19 W23C17-G21 PolarHBondContact O-N 3.5Å; V18-G21 PolarHBondContact O-N 3.46Å; L19-G21 PolarHBondContact O-N 2.86Å; G21-W23 VanDerWaalsContact C-N 3.31Å
22K94.7Very high95.4Very high131 Ų13137.5 Ų37.557%0.5722%0.222SC*.SBendtrans-67.6-31.3172.5178.9177175.4-175.20112.3C17 D20 H44C17-K22 HydrophobicContact CB-CB 4.15Å; C17-K22 HydrophobicContact CB-CD 4.33Å; C17-K22 HydrophobicContact CB-CG 4.46Å; C17-K22 CarbonylContact O-C 3.52Å; C17-K22 WeakPolarHBondContact O-CA 3.34Å; C17-K22 WeakPolarHBondContact O-CB 3.42Å; C17-K22 PolarHBondContact O-N 2.79Å; D20-K22 VanDerWaalsContact C-N 3.31Å; K22-H44 PolarHBondContact O-CE1 3.24Å; K22-H44 PolarHBondContact O-NE2 2.96Å; K22-H44 VanDerWaalsContact O-NE2 3.1Å
23W96.5Very high94.9Very high65 Ų6542.6 Ų42.625%0.24625%0.245CC..  trans-124.9147.9170-63.7132.1000109.6C17 V18 G21 Q42 H44C17-W23 HydrophobicContact CB-CG 4.13Å; C17-W23 PolarHBondContact O-N 2.71Å; V18-W23 WeakPolarHBondContact CA-O 3.23Å; V18-W23 HydrophobicContact CG2-CB 3.91Å; G21-W23 VanDerWaalsContact C-N 3.31Å; W23-Q42 VanDerWaalsContact NE1-NE2 3.11Å; W23-H44 AromaticContact CE3-CD2 3.58Å; W23-H44 AromaticContact CE3-CE1 3.88Å; W23-H44 AromaticContact CE3-NE2 3.34Å; W23-H44 VanDerWaalsContact CE3-NE2 3.34Å; W23-H44 AromaticContact CZ3-CD2 3.58Å; W23-H44 AromaticContact CZ3-NE2 3.52Å
24S96.4Very high94.6Very high38 Ų3842.3 Ų42.327%0.26624%0.24SC..SBendtrans-78.4-32.4174.7-54.30000110.7G43 H44 R64S24-G43 PolarHBondContact N-O 3.14Å; S24-H44 PolarHBondContact N-ND1 3.11Å; S24-H44 WeakPolarHBondContact OG-CA 3.27Å; S24-H44 PolarHBondContact OG-ND1 3.27Å; S24-H44 VanDerWaalsContact OG-ND1 3.13Å; S24-R64 PolarHBondContact O-N 2.83Å
25W97.6Very high94.3Very high1 Ų145.6 Ų45.60%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-153.2161.5-177.355.1-100.3000112.5I27 D41 Q42 G43 D45 Q48 F49 F62 I63W25-I27 HydrophobicContact CE3-CD1 4.31Å; W25-I27 HydrophobicContact CE3-CG1 4.04Å; W25-I27 HydrophobicContact CZ3-CD1 4.04Å; W25-I27 HydrophobicContact CZ3-CG1 4.09Å; W25-D41 HydrophobicContact CH2-CB 4.2Å; W25-D41 HydrophobicContact CZ3-CB 3.9Å; W25-Q42 WeakPolarHBondContact O-CA 3.39Å; W25-G43 PolarHBondContact N-O 2.83Å; W25-G43 VanDerWaalsContact N-O 3.13Å; W25-G43 PolarHBondContact NE1-O 3.38Å; W25-G43 PolarHBondContact O-N 3.46Å; W25-G43 VanDerWaalsContact O-N 3.12Å; W25-D45 WeakPolarHBondContact CZ2-O 3.47Å; W25-D45 PolarHBondContact NE1-O 3.25Å; W25-Q48 HydrophobicContact CH2-CG 4.02Å; W25-Q48 HydrophobicContact CZ2-CB 4.08Å; W25-Q48 HydrophobicContact CZ2-CG 4Å; W25-F49 HydrophobicContact CB-CD2 3.71Å; W25-F49 HydrophobicContact CB-CE2 3.87Å; W25-F49 HydrophobicContact CB-CG 4.29Å; W25-F49 HydrophobicContact CD2-CB 3.75Å; W25-F49 AromaticContact CD2-CD2 3.48Å; W25-F49 HydrophobicContact CD2-CD2 3.48Å; W25-F49 VanDerWaalsContact CD2-CD2 3.48Å; W25-F49 HydrophobicContact CD2-CE2 4.39Å; W25-F49 AromaticContact CD2-CG 3.97Å; W25-F49 HydrophobicContact CD2-CG 3.97Å; W25-F49 HydrophobicContact CE3-CB 4.35Å; W25-F49 AromaticContact CE3-CD2 3.53Å; W25-F49 HydrophobicContact CE3-CD2 3.53Å; W25-F49 HydrophobicContact CE3-CE2 4.31Å; W25-F49 HydrophobicContact CE3-CG 4.39Å; W25-F49 HydrophobicContact CG-CB 3.92Å; W25-F49 AromaticContact CG-CD2 3.54Å; W25-F49 HydrophobicContact CG-CD2 3.54Å; W25-F49 HydrophobicContact CG-CE2 4.22Å; W25-F49 AromaticContact CG-CG 3.88Å; W25-F49 HydrophobicContact CG-CG 3.88Å; W25-F49 HydrophobicContact CZ2-CB 4.06Å; W25-F49 HydrophobicContact CZ3-CD2 4.28Å; W25-F62 CarbonylContact C-O 3.58Å; W25-F62 WeakPolarHBondContact CA-O 3.25Å; W25-I63 HydrophobicContact CB-CB 4.03Å; W25-I63 HydrophobicContact CB-CD1 4.3Å; W25-I63 HydrophobicContact CB-CG1 4.03Å
26V98.3Very high94.1Very high0 Ų046.2 Ų46.20%026%0.258CS..EExtended strand (participates in β ladder)trans-141.2145.9171.661.70000109.5A14 V18 F28 V39 Q42 F62A14-V26 HydrophobicContact CB-CG2 3.8Å; V18-V26 HydrophobicContact CG2-CB 3.9Å; V18-V26 HydrophobicContact CG2-CG1 3.75Å; V26-F28 HydrophobicContact CB-CZ 4.32Å; V26-F28 HydrophobicContact CG1-CE1 4.15Å; V26-F28 HydrophobicContact CG1-CE2 3.88Å; V26-F28 HydrophobicContact CG1-CZ 3.46Å; V26-F28 VanDerWaalsContact CG1-CZ 3.46Å; V26-F28 HydrophobicContact CG2-CD1 4.23Å; V26-F28 HydrophobicContact CG2-CE1 3.59Å; V26-F28 HydrophobicContact CG2-CZ 3.8Å; V26-V39 HydrophobicContact CG2-CG1 3.92Å; V26-Q42 HydrophobicContact CB-CB 4.26Å; V26-Q42 HydrophobicContact CG2-CB 4.17Å; V26-F62 HydrophobicContact CG1-CB 3.81Å; V26-F62 HydrophobicContact CG1-CD1 4.06Å; V26-F62 HydrophobicContact CG1-CG 4.45Å; V26-F62 PolarHBondContact N-O 3.44Å; V26-F62 PolarHBondContact O-N 2.78Å
27I97.9Very high94Very high0 Ų043.9 Ų43.90%025%0.246CC..EExtended strand (participates in β ladder)trans-119.7129.1177-61.9176.9000109.5W25 K40 D41 F49 N52 F53 L59 Y60W25-I27 HydrophobicContact CE3-CD1 4.31Å; W25-I27 HydrophobicContact CE3-CG1 4.04Å; W25-I27 HydrophobicContact CZ3-CD1 4.04Å; W25-I27 HydrophobicContact CZ3-CG1 4.09Å; I27-K40 HydrophobicContact CG2-CB 4.38Å; I27-K40 PolarHBondContact O-N 3.31Å; I27-D41 PolarHBondContact N-O 3.46Å; I27-D41 PolarHBondContact O-N 2.78Å; I27-F49 HydrophobicContact CD1-CD2 3.71Å; I27-F49 HydrophobicContact CD1-CE2 4.03Å; I27-F49 HydrophobicContact CG1-CD2 3.8Å; I27-F49 HydrophobicContact CG1-CE2 3.73Å; I27-N52 HydrophobicContact CD1-CB 3.25Å; I27-F53 HydrophobicContact CD1-CE2 4.49Å; I27-F53 HydrophobicContact CD1-CZ 4.33Å; I27-L59 HydrophobicContact CG2-CB 4.13Å; I27-L59 HydrophobicContact CG2-CD1 4.19Å; I27-L59 HydrophobicContact CG2-CD2 4.13Å; I27-L59 HydrophobicContact CG2-CG 4.38Å; I27-Y60 CarbonylContact C-O 3.59Å; I27-Y60 WeakPolarHBondContact CA-O 3.38Å
28F97.3Very high94Very high0 Ų045 Ų450%025%0.251CS..EExtended strand (participates in β ladder)trans-107148.3172.4-46.2-66.6000110.9L11 V15 V26 L37 D38 V39 L59 Y60 F62L11-F28 HydrophobicContact CD2-CD1 3.4Å; L11-F28 VanDerWaalsContact CD2-CD1 3.4Å; L11-F28 HydrophobicContact CD2-CE1 3.72Å; L11-F28 HydrophobicContact CD2-CG 4.26Å; V15-F28 HydrophobicContact CG2-CE1 4.47Å; V15-F28 HydrophobicContact CG2-CE2 4.25Å; V15-F28 HydrophobicContact CG2-CZ 3.57Å; V26-F28 HydrophobicContact CB-CZ 4.32Å; V26-F28 HydrophobicContact CG1-CE1 4.15Å; V26-F28 HydrophobicContact CG1-CE2 3.88Å; V26-F28 HydrophobicContact CG1-CZ 3.46Å; V26-F28 VanDerWaalsContact CG1-CZ 3.46Å; V26-F28 HydrophobicContact CG2-CD1 4.23Å; V26-F28 HydrophobicContact CG2-CE1 3.59Å; V26-F28 HydrophobicContact CG2-CZ 3.8Å; F28-L37 HydrophobicContact CB-CD1 3.8Å; F28-L37 HydrophobicContact CB-CD2 3.79Å; F28-L37 HydrophobicContact CB-CG 3.79Å; F28-L37 HydrophobicContact CG-CD2 4.15Å; F28-D38 CarbonylContact C-O 3.22Å; F28-D38 VanDerWaalsContact CA-O 3.31Å; F28-D38 WeakPolarHBondContact CA-O 3.33Å; F28-V39 HydrophobicContact CD1-CG2 4.15Å; F28-V39 HydrophobicContact CE1-CG2 4.08Å; F28-L59 CarbonylContact O-C 3.49Å; F28-L59 WeakPolarHBondContact O-CA 3.31Å; F28-Y60 PolarHBondContact N-O 2.95Å; F28-Y60 PolarHBondContact O-N 3.45Å; F28-F62 HydrophobicContact CE2-CB 4.23Å
29G94.7Very high94Very high1 Ų146.6 Ų46.61%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-151.1159.2177.800000112.4D38G29-D38 PolarHBondContact N-O 3.21Å; G29-D38 PolarHBondContact O-N 2.67Å
30Y94.7Very high94Very high19 Ų1949.1 Ų49.18%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-67.1142.4177.3-66.4-79.7000111.6I2 V58 Y60 F87 H94I2-Y30 HydrophobicContact CD1-CE1 4.22Å; Y30-V58 HydrophobicContact CD2-CB 4.03Å; Y30-V58 HydrophobicContact CD2-CG1 4.26Å; Y30-V58 HydrophobicContact CE2-CB 3.97Å; Y30-V58 HydrophobicContact CE2-CG1 3.69Å; Y30-Y60 AromaticContact CE2-CE2 3.94Å; Y30-Y60 HydrophobicContact CE2-CE2 3.94Å; Y30-Y60 AromaticContact CZ-CE2 3.99Å; Y30-Y60 PolarHBondContact OH-OH 2.8Å; Y30-F87 AromaticContact CD1-CD1 3.97Å; Y30-F87 HydrophobicContact CD1-CD1 3.97Å; Y30-F87 AromaticContact CD1-CE1 3.95Å; Y30-F87 HydrophobicContact CD1-CE1 3.95Å; Y30-F87 HydrophobicContact CD2-CB 4.26Å; Y30-F87 HydrophobicContact CD2-CD1 4.05Å; Y30-F87 HydrophobicContact CD2-CD2 4.49Å; Y30-F87 HydrophobicContact CD2-CG 4.03Å; Y30-F87 HydrophobicContact CE1-CD1 4.32Å; Y30-F87 HydrophobicContact CE2-CB 4.32Å; Y30-F87 HydrophobicContact CE2-CD1 4.41Å; Y30-F87 HydrophobicContact CE2-CG 4.47Å; Y30-F87 AromaticContact CG-CD1 3.81Å; Y30-F87 HydrophobicContact CG-CD1 3.81Å; Y30-F87 AromaticContact CG-CE1 3.88Å; Y30-F87 HydrophobicContact CG-CE1 3.88Å; Y30-F87 HydrophobicContact CG-CG 4.18Å; Y30-F87 HydrophobicContact CG-CZ 4.27Å; Y30-H94 AromaticContact CE1-ND1 3.69Å; Y30-H94 AromaticContact CZ-ND1 3.7Å; Y30-H94 PolarHBondContact OH-ND1 3.17Å
31M90.6Very high94.2Very high77 Ų7744.6 Ų44.638%0.37925%0.246SC..  trans-91.8108.7175.9-172.2-179.671.100110.6L33 T34 T36 D38M31-L33 PolarHBondContact O-N 2.8Å; M31-T34 WeakPolarHBondContact O-CB 3.47Å; M31-T34 PolarHBondContact O-N 3.49Å; M31-T34 PolarHBondContact O-OG1 3.11Å; M31-T36 HydrophobicContact CE-CG2 4.28Å; M31-T36 PolarHBondContact N-O 2.95Å; M31-D38 HydrophobicContact CB-CB 4.48Å
32G86.2Confident94.5Very high60 Ų6046.4 Ų46.462%0.61925%0.245SC*.THydrogen-bonded Turntrans60.8-126.5177.600000112.2F87G32-F87 WeakPolarHBondContact O-CE2 3.37Å; G32-F87 WeakPolarHBondContact O-CZ 3.39Å
33L85.2Confident94.5Very high160 Ų16040.4 Ų40.484%0.83822%0.221SC*.THydrogen-bonded Turntrans-99.18.8174.8-61.2177.7000112.8M31M31-L33 PolarHBondContact O-N 2.8Å
34T90.1Very high94.5Very high61 Ų6142.3 Ų42.337%0.37423%0.232SC..SBendtrans-91.7155.5-177.4720000111.2M31 T36 F87M31-T34 WeakPolarHBondContact O-CB 3.47Å; M31-T34 PolarHBondContact O-N 3.49Å; M31-T34 PolarHBondContact O-OG1 3.11Å; T34-T36 PolarHBondContact O-N 2.87Å; T34-T36 WeakPolarHBondContact OG1-CB 3.18Å; T34-T36 PolarHBondContact OG1-N 2.69Å; T34-F87 WeakPolarHBondContact O-CE1 3.25Å
35H91.6Very high94.3Very high72 Ų7244.4 Ų44.433%0.33324%0.24SC..SBendtrans-82.324.3167.5-59.3153.1000112.4I2 D3 F87 H94I2-H35 WeakPolarHBondContact CG1-O 3.22Å; D3-H35 PolarHBondContact N-O 3.34Å; H35-F87 AromaticContact CD2-CE1 3.88Å; H35-H94 AromaticContact CG-CE1 3.87Å
36T94.4Very high94.1Very high14 Ų1446.4 Ų46.49%0.08625%0.251CS..BIsolated β-bridgetrans-88.6129.1174.8-56.80000109.4D3 T6 M31 T34D3-T36 WeakPolarHBondContact O-CA 3.3Å; D3-T36 WeakPolarHBondContact OD2-CG2 3.37Å; D3-T36 PolarHBondContact OD2-OG1 2.88Å; T6-T36 HydrophobicContact CG2-CG2 4.01Å; M31-T36 HydrophobicContact CE-CG2 4.28Å; M31-T36 PolarHBondContact N-O 2.95Å; T34-T36 PolarHBondContact O-N 2.87Å; T34-T36 WeakPolarHBondContact OG1-CB 3.18Å; T34-T36 PolarHBondContact OG1-N 2.69Å
37L95Very high93.8Very high0 Ų052 Ų520%028%0.281CS..EExtended strand (participates in β ladder)trans-88.8143.3-179.9-162.768.2000110.8I2 D3 L4 N7 L11 F28 Y60 V98 L101I2-L37 HydrophobicContact CD1-CB 4.2Å; I2-L37 HydrophobicContact CD1-CD1 4.39Å; I2-L37 HydrophobicContact CD1-CD2 4.4Å; D3-L37 PolarHBondContact O-N 3.24Å; D3-L37 VanDerWaalsContact O-N 3.1Å; L4-L37 HydrophobicContact CD2-CB 3.77Å; L4-L37 HydrophobicContact CD2-CD2 3.69Å; L4-L37 HydrophobicContact CD2-CG 4.4Å; N7-L37 WeakPolarHBondContact CB-O 3.26Å; N7-L37 PolarHBondContact ND2-O 3.11Å; L11-L37 HydrophobicContact CD1-CB 4.2Å; L11-L37 HydrophobicContact CD1-CD2 4.45Å; L11-L37 HydrophobicContact CD2-CD2 4.23Å; L11-L37 HydrophobicContact CD2-CG 4.25Å; F28-L37 HydrophobicContact CB-CD1 3.8Å; F28-L37 HydrophobicContact CB-CD2 3.79Å; F28-L37 HydrophobicContact CB-CG 3.79Å; F28-L37 HydrophobicContact CG-CD2 4.15Å; L37-Y60 HydrophobicContact CD1-CD2 3.91Å; L37-Y60 HydrophobicContact CD1-CE2 4.14Å; L37-V98 HydrophobicContact CD2-CG2 4.18Å; L37-L101 HydrophobicContact CD2-CD2 4.3Å
38D96Very high93.6Very high41 Ų4155.8 Ų55.822%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-141.6152.6-178.5-178.335.5000111F28 G29 M31 K40F28-D38 CarbonylContact C-O 3.22Å; F28-D38 VanDerWaalsContact CA-O 3.31Å; F28-D38 WeakPolarHBondContact CA-O 3.33Å; G29-D38 PolarHBondContact N-O 3.21Å; G29-D38 PolarHBondContact O-N 2.67Å; M31-D38 HydrophobicContact CB-CB 4.48Å; D38-K40 PolarHBondContact O-N 3.45Å; D38-K40 IonicContact OD2-NZ 2.69Å; D38-K40 PolarHBondContact OD2-NZ 2.86Å
39V97.2Very high93.5Very high33 Ų3355.9 Ų55.920%0.230%0.299CS..EExtended strand (participates in β ladder)trans-77119.5176.3-175.50000108A10 L11 A14 V26 F28A10-V39 HydrophobicContact CB-CG2 4.41Å; L11-V39 HydrophobicContact CD2-CG2 3.89Å; A14-V39 HydrophobicContact CB-CG1 4.31Å; A14-V39 HydrophobicContact CB-CG2 4Å; V26-V39 HydrophobicContact CG2-CG1 3.92Å; F28-V39 HydrophobicContact CD1-CG2 4.15Å; F28-V39 HydrophobicContact CE1-CG2 4.08Å
40K95.6Very high93.4Very high92 Ų9258.4 Ų58.440%0.431%0.312SS..EExtended strand (participates in β ladder)trans-96-41-178.2-64.6-54.5177-158.70112.9I27 D38 L59I27-K40 HydrophobicContact CG2-CB 4.38Å; I27-K40 PolarHBondContact O-N 3.31Å; D38-K40 PolarHBondContact O-N 3.45Å; D38-K40 IonicContact OD2-NZ 2.69Å; D38-K40 PolarHBondContact OD2-NZ 2.86Å; K40-L59 HydrophobicContact CG-CD2 4.41Å
41D97.3Very high93.3Very high40 Ų4064.4 Ų64.421%0.21435%0.345CS..EExtended strand (participates in β ladder)trans-158.2159.1177-157.41.4000110.2W25 I27 Q48 N52W25-D41 HydrophobicContact CH2-CB 4.2Å; W25-D41 HydrophobicContact CZ3-CB 3.9Å; I27-D41 PolarHBondContact N-O 3.46Å; I27-D41 PolarHBondContact O-N 2.78Å; D41-Q48 PolarHBondContact OD2-NE2 2.8Å; D41-N52 PolarHBondContact OD2-ND2 2.76Å
42Q97Very high93.4Very high69 Ų6962.7 Ų62.732%0.32234%0.338SS..EExtended strand (participates in β ladder)trans-154.6147174.765.6-171.323.700109.6W23 W25 V26W23-Q42 VanDerWaalsContact NE1-NE2 3.11Å; W25-Q42 WeakPolarHBondContact O-CA 3.39Å; V26-Q42 HydrophobicContact CB-CB 4.26Å; V26-Q42 HydrophobicContact CG2-CB 4.17Å
43G96Very high93.8Very high5 Ų560.6 Ų60.65%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-179.8-167.2-176.800000114.8S24 W25S24-G43 PolarHBondContact N-O 3.14Å; W25-G43 PolarHBondContact N-O 2.83Å; W25-G43 VanDerWaalsContact N-O 3.13Å; W25-G43 PolarHBondContact NE1-O 3.38Å; W25-G43 PolarHBondContact O-N 3.46Å; W25-G43 VanDerWaalsContact O-N 3.12Å
44H94.9Very high94.1Very high105 Ų10555.5 Ų55.549%0.48629%0.289SS..SBendtrans-111.7-29.3176.4-66.7-69000113.1K22 W23 S24 L46K22-H44 PolarHBondContact O-CE1 3.24Å; K22-H44 PolarHBondContact O-NE2 2.96Å; K22-H44 VanDerWaalsContact O-NE2 3.1Å; W23-H44 AromaticContact CE3-CD2 3.58Å; W23-H44 AromaticContact CE3-CE1 3.88Å; W23-H44 AromaticContact CE3-NE2 3.34Å; W23-H44 VanDerWaalsContact CE3-NE2 3.34Å; W23-H44 AromaticContact CZ3-CD2 3.58Å; W23-H44 AromaticContact CZ3-NE2 3.52Å; S24-H44 PolarHBondContact N-ND1 3.11Å; S24-H44 WeakPolarHBondContact OG-CA 3.27Å; S24-H44 PolarHBondContact OG-ND1 3.27Å; S24-H44 VanDerWaalsContact OG-ND1 3.13Å; H44-L46 PolarHBondContact O-N 2.89Å
45D93.9Very high94.2Very high82 Ų8255.6 Ų55.644%0.43929%0.293SS..  trans-75.1123.1-173.5179.236.5000111.4W25 D47 Q48 F49W25-D45 WeakPolarHBondContact CZ2-O 3.47Å; W25-D45 PolarHBondContact NE1-O 3.25Å; D45-D47 VanDerWaalsContact C-N 3.35Å; D45-D47 PolarHBondContact OD1-N 3.43Å; D45-Q48 HydrophobicContact CB-CB 4.04Å; D45-Q48 WeakPolarHBondContact OD2-CB 3.48Å; D45-Q48 PolarHBondContact OD2-N 2.86Å; D45-F49 PolarHBondContact O-N 3.33Å; D45-F49 VanDerWaalsContact O-N 3.16Å
46L91.4Very high94.2Very high43 Ų4354 Ų5423%0.22530%0.296CS..Hα-helixtrans-71-33.6-177.7-179.664.2000111.4H44 F49 L50 I63 W119H44-L46 PolarHBondContact O-N 2.89Å; L46-F49 HydrophobicContact CD1-CD1 4.04Å; L46-F49 VanDerWaalsContact O-CB 3.31Å; L46-F49 WeakPolarHBondContact O-CB 3.18Å; L46-F49 PolarHBondContact O-N 3.33Å; L46-L50 HydrophobicContact CD1-CG 4.42Å; L46-L50 HydrophobicContact CG-CD1 4.3Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.48Å; L46-I63 HydrophobicContact CD1-CD1 3.97Å; L46-W119 HydrophobicContact CD1-CD2 4.38Å; L46-W119 HydrophobicContact CD1-CE3 3.82Å; L46-W119 HydrophobicContact CD1-CZ3 3.94Å; L46-W119 HydrophobicContact CD2-CB 4.24Å; L46-W119 HydrophobicContact CD2-CD2 3.56Å; L46-W119 HydrophobicContact CD2-CE3 3.88Å; L46-W119 HydrophobicContact CD2-CG 3.73Å; L46-W119 HydrophobicContact CD2-CZ2 4.5Å; L46-W119 HydrophobicContact CD2-CZ3 4.46Å
47D91.9Very high94.2Very high117 Ų11758.9 Ų58.963%0.62632%0.316SS*.Hα-helixtrans-68.8-43.6-179.4-67.8-32000110.3D45 F49 L50 N51D45-D47 VanDerWaalsContact C-N 3.35Å; D45-D47 PolarHBondContact OD1-N 3.43Å; D47-F49 VanDerWaalsContact C-N 3.29Å; D47-F49 PolarHBondContact O-N 3.34Å; D47-L50 PolarHBondContact O-N 2.82Å; D47-N51 VanDerWaalsContact O-CB 3.27Å; D47-N51 WeakPolarHBondContact O-CB 3.49Å; D47-N51 PolarHBondContact O-N 2.79Å
48Q94Very high94.2Very high81 Ų8159.2 Ų59.238%0.37932%0.318SS..Hα-helixtrans-57-41.8169.7-175.5-176.31.700112.1W25 D41 D45 N51 N52W25-Q48 HydrophobicContact CH2-CG 4.02Å; W25-Q48 HydrophobicContact CZ2-CB 4.08Å; W25-Q48 HydrophobicContact CZ2-CG 4Å; D41-Q48 PolarHBondContact OD2-NE2 2.8Å; D45-Q48 HydrophobicContact CB-CB 4.04Å; D45-Q48 WeakPolarHBondContact OD2-CB 3.48Å; D45-Q48 PolarHBondContact OD2-N 2.86Å; Q48-N51 PolarHBondContact O-N 3.11Å; Q48-N52 PolarHBondContact O-N 2.83Å; Q48-N52 PolarHBondContact O-ND2 3.12Å
49F95.2Very high94.2Very high2 Ų257.6 Ų57.61%0.00931%0.309CS..Hα-helixtrans-59.3-49.7177177.1-113.4000112.1W25 I27 D45 L46 D47 N52 F53 I63 I76W25-F49 HydrophobicContact CB-CD2 3.71Å; W25-F49 HydrophobicContact CB-CE2 3.87Å; W25-F49 HydrophobicContact CB-CG 4.29Å; W25-F49 HydrophobicContact CD2-CB 3.75Å; W25-F49 AromaticContact CD2-CD2 3.48Å; W25-F49 HydrophobicContact CD2-CD2 3.48Å; W25-F49 VanDerWaalsContact CD2-CD2 3.48Å; W25-F49 HydrophobicContact CD2-CE2 4.39Å; W25-F49 AromaticContact CD2-CG 3.97Å; W25-F49 HydrophobicContact CD2-CG 3.97Å; W25-F49 HydrophobicContact CE3-CB 4.35Å; W25-F49 AromaticContact CE3-CD2 3.53Å; W25-F49 HydrophobicContact CE3-CD2 3.53Å; W25-F49 HydrophobicContact CE3-CE2 4.31Å; W25-F49 HydrophobicContact CE3-CG 4.39Å; W25-F49 HydrophobicContact CG-CB 3.92Å; W25-F49 AromaticContact CG-CD2 3.54Å; W25-F49 HydrophobicContact CG-CD2 3.54Å; W25-F49 HydrophobicContact CG-CE2 4.22Å; W25-F49 AromaticContact CG-CG 3.88Å; W25-F49 HydrophobicContact CG-CG 3.88Å; W25-F49 HydrophobicContact CZ2-CB 4.06Å; W25-F49 HydrophobicContact CZ3-CD2 4.28Å; I27-F49 HydrophobicContact CD1-CD2 3.71Å; I27-F49 HydrophobicContact CD1-CE2 4.03Å; I27-F49 HydrophobicContact CG1-CD2 3.8Å; I27-F49 HydrophobicContact CG1-CE2 3.73Å; D45-F49 PolarHBondContact O-N 3.33Å; D45-F49 VanDerWaalsContact O-N 3.16Å; L46-F49 HydrophobicContact CD1-CD1 4.04Å; L46-F49 VanDerWaalsContact O-CB 3.31Å; L46-F49 WeakPolarHBondContact O-CB 3.18Å; L46-F49 PolarHBondContact O-N 3.33Å; D47-F49 VanDerWaalsContact C-N 3.29Å; D47-F49 PolarHBondContact O-N 3.34Å; F49-N52 PolarHBondContact O-N 3.31Å; F49-F53 HydrophobicContact CD1-CE2 4.02Å; F49-F53 HydrophobicContact CD2-CE2 4.22Å; F49-F53 HydrophobicContact CD2-CZ 4.45Å; F49-F53 AromaticContact CE1-CE2 3.75Å; F49-F53 HydrophobicContact CE1-CE2 3.75Å; F49-F53 HydrophobicContact CE1-CZ 4.15Å; F49-F53 AromaticContact CE2-CE2 3.96Å; F49-F53 HydrophobicContact CE2-CE2 3.96Å; F49-F53 AromaticContact CE2-CZ 3.82Å; F49-F53 HydrophobicContact CE2-CZ 3.82Å; F49-F53 HydrophobicContact CG-CE2 4.28Å; F49-F53 AromaticContact CZ-CE2 3.73Å; F49-F53 HydrophobicContact CZ-CE2 3.73Å; F49-F53 AromaticContact CZ-CZ 3.66Å; F49-F53 HydrophobicContact CZ-CZ 3.66Å; F49-F53 VanDerWaalsContact O-CD2 3.31Å; F49-F53 WeakPolarHBondContact O-CD2 3.45Å; F49-F53 VanDerWaalsContact O-CE2 3.29Å; F49-F53 WeakPolarHBondContact O-CE2 3.39Å; F49-I63 HydrophobicContact CD1-CD1 3.97Å; F49-I63 HydrophobicContact CE1-CB 4.36Å; F49-I63 HydrophobicContact CE1-CD1 3.8Å; F49-I63 HydrophobicContact CE1-CG2 4.49Å; F49-I63 HydrophobicContact CZ-CB 4.06Å; F49-I63 HydrophobicContact CZ-CD1 4.3Å; F49-I63 HydrophobicContact CZ-CG2 4.32Å; F49-I76 HydrophobicContact CE1-CD1 3.53Å; F49-I76 HydrophobicContact CZ-CD1 3.64Å
50L92.8Very high94.2Very high53 Ų5356 Ų5628%0.27730%0.3SS..Hα-helixtrans-66.1-39.5-178.8-67.3175.9000111.6L46 D47 N52 F53 L117L46-L50 HydrophobicContact CD1-CG 4.42Å; L46-L50 HydrophobicContact CG-CD1 4.3Å; L46-L50 WeakPolarHBondContact O-CG 3.44Å; L46-L50 PolarHBondContact O-N 3.48Å; D47-L50 PolarHBondContact O-N 2.82Å; L50-N52 PolarHBondContact O-N 3.43Å; L50-F53 PolarHBondContact O-N 2.97Å; L50-L117 HydrophobicContact CD2-CB 4.19Å
51N92.2Very high94.3Very high145 Ų14551.7 Ų51.778%0.77528%0.281SS*.Hα-helixtrans-68.7-18.8-178.4-159.222.6000113.6D47 Q48 F53D47-N51 VanDerWaalsContact O-CB 3.27Å; D47-N51 WeakPolarHBondContact O-CB 3.49Å; D47-N51 PolarHBondContact O-N 2.79Å; Q48-N51 PolarHBondContact O-N 3.11Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.21Å
52N93.6Very high94.3Very high41 Ų4149.8 Ų49.822%0.21927%0.27CS..THydrogen-bonded Turntrans-70.2-22.5175.8-91.5-72.5000113.5I27 D41 Q48 F49 L50 S54 L59I27-N52 HydrophobicContact CD1-CB 3.25Å; D41-N52 PolarHBondContact OD2-ND2 2.76Å; Q48-N52 PolarHBondContact O-N 2.83Å; Q48-N52 PolarHBondContact O-ND2 3.12Å; F49-N52 PolarHBondContact O-N 3.31Å; L50-N52 PolarHBondContact O-N 3.43Å; N52-S54 PolarHBondContact O-N 3.1Å; N52-L59 WeakPolarHBondContact O-CD1 3.41Å
53F95Very high94.3Very high16 Ų1646.7 Ų46.77%0.0726%0.256CS..  trans-77.980.1-177.3-65.2-70.6000112.3I27 F49 L50 N51 L59 I76 W78 L117I27-F53 HydrophobicContact CD1-CE2 4.49Å; I27-F53 HydrophobicContact CD1-CZ 4.33Å; F49-F53 HydrophobicContact CD1-CE2 4.02Å; F49-F53 HydrophobicContact CD2-CE2 4.22Å; F49-F53 HydrophobicContact CD2-CZ 4.45Å; F49-F53 AromaticContact CE1-CE2 3.75Å; F49-F53 HydrophobicContact CE1-CE2 3.75Å; F49-F53 HydrophobicContact CE1-CZ 4.15Å; F49-F53 AromaticContact CE2-CE2 3.96Å; F49-F53 HydrophobicContact CE2-CE2 3.96Å; F49-F53 AromaticContact CE2-CZ 3.82Å; F49-F53 HydrophobicContact CE2-CZ 3.82Å; F49-F53 HydrophobicContact CG-CE2 4.28Å; F49-F53 AromaticContact CZ-CE2 3.73Å; F49-F53 HydrophobicContact CZ-CE2 3.73Å; F49-F53 AromaticContact CZ-CZ 3.66Å; F49-F53 HydrophobicContact CZ-CZ 3.66Å; F49-F53 VanDerWaalsContact O-CD2 3.31Å; F49-F53 WeakPolarHBondContact O-CD2 3.45Å; F49-F53 VanDerWaalsContact O-CE2 3.29Å; F49-F53 WeakPolarHBondContact O-CE2 3.39Å; L50-F53 PolarHBondContact O-N 2.97Å; N51-F53 VanDerWaalsContact C-N 3.28Å; N51-F53 PolarHBondContact O-N 3.21Å; F53-L59 HydrophobicContact CD1-CB 4.26Å; F53-L59 HydrophobicContact CD1-CD1 4.11Å; F53-L59 HydrophobicContact CE1-CB 4.26Å; F53-I76 HydrophobicContact CE1-CG2 4.04Å; F53-I76 HydrophobicContact CE2-CD1 4.39Å; F53-I76 HydrophobicContact CZ-CB 4.31Å; F53-I76 HydrophobicContact CZ-CD1 4.24Å; F53-I76 HydrophobicContact CZ-CG2 4.04Å; F53-W78 HydrophobicContact CB-CD2 3.79Å; F53-W78 HydrophobicContact CB-CE3 3.98Å; F53-W78 HydrophobicContact CB-CG 4.28Å; F53-W78 HydrophobicContact CB-CH2 4.1Å; F53-W78 HydrophobicContact CB-CZ2 3.98Å; F53-W78 HydrophobicContact CB-CZ3 4.12Å; F53-W78 HydrophobicContact CD1-CB 3.55Å; F53-W78 AromaticContact CD1-CD2 3.84Å; F53-W78 HydrophobicContact CD1-CD2 3.84Å; F53-W78 HydrophobicContact CD1-CE3 4.19Å; F53-W78 AromaticContact CD1-CG 3.55Å; F53-W78 HydrophobicContact CD1-CG 3.55Å; F53-W78 HydrophobicContact CE1-CB 3.88Å; F53-W78 HydrophobicContact CE1-CG 4.37Å; F53-W78 HydrophobicContact CG-CD2 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.24Å; F53-W78 HydrophobicContact CG-CG 4.31Å; F53-W78 VanDerWaalsContact O-CZ2 3.24Å; F53-W78 WeakPolarHBondContact O-CZ2 3.26Å; F53-L117 HydrophobicContact CB-CD1 4.28Å; F53-L117 HydrophobicContact CD2-CD1 3.66Å; F53-L117 HydrophobicContact CE2-CD1 4.08Å; F53-L117 HydrophobicContact CG-CD1 3.91Å
54S91.8Very high94.3Very high53 Ų5349 Ų4937%0.37126%0.264SS..  trans-81.8141.5177.3-178.70000112.6N52 G56 K57 W78N52-S54 PolarHBondContact O-N 3.1Å; S54-G56 PolarHBondContact O-N 2.9Å; S54-G56 VanDerWaalsContact O-N 3.1Å; S54-K57 PolarHBondContact O-N 3.12Å; S54-K57 VanDerWaalsContact O-N 3.09Å; S54-W78 PolarHBondContact O-NE1 2.71Å
55S91.7Very high94.2Very high64 Ų6444 Ų4445%0.44824%0.24SC..THydrogen-bonded Turntrans-57.1-25.2177.761.60000113.9K57 G80 E81 A82 S83S55-K57 VanDerWaalsContact C-N 3.34Å; S55-K57 PolarHBondContact O-N 2.92Å; S55-G80 CarbonylContact O-C 3.5Å; S55-G80 WeakPolarHBondContact O-CA 3.4Å; S55-E81 PolarHBondContact O-N 2.82Å; S55-A82 CarbonylContact O-C 2.97Å; S55-A82 WeakPolarHBondContact O-CA 3.35Å; S55-A82 PolarHBondContact O-N 3.18Å; S55-S83 PolarHBondContact O-N 3.14Å
56G92Very high94Very high38 Ų3846 Ų4639%0.39225%0.247SC..THydrogen-bonded Turntrans-83.1-0.4179.400000115.4S54 S83S54-G56 PolarHBondContact O-N 2.9Å; S54-G56 VanDerWaalsContact O-N 3.1Å; G56-S83 WeakPolarHBondContact O-CA 3.4Å
57K93Very high93.6Very high116 Ų11647.2 Ų47.250%0.50426%0.256SS..  trans-123.4153-171.6-62.7-179.4-177.4172.10112.3S54 S55 L59 W78 G80 S83S54-K57 PolarHBondContact O-N 3.12Å; S54-K57 VanDerWaalsContact O-N 3.09Å; S55-K57 VanDerWaalsContact C-N 3.34Å; S55-K57 PolarHBondContact O-N 2.92Å; K57-L59 HydrophobicContact CB-CD1 4.19Å; K57-L59 HydrophobicContact CB-CD2 4.27Å; K57-L59 HydrophobicContact CB-CG 3.94Å; K57-L59 HydrophobicContact CD-CD1 4.44Å; K57-L59 HydrophobicContact CD-CD2 4.48Å; K57-W78 PolarHBondContact O-NE1 3.25Å; K57-G80 PolarHBondContact O-N 3.32Å; K57-S83 VanDerWaalsContact C-CB 3.48Å; K57-S83 WeakPolarHBondContact O-CB 3.4Å
58V95.1Very high92.8Very high8 Ų842.9 Ų42.95%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-105.6121.1163.4-176.10000107.2Y30 W78 Q79 S83 F87 K88 C91Y30-V58 HydrophobicContact CD2-CB 4.03Å; Y30-V58 HydrophobicContact CD2-CG1 4.26Å; Y30-V58 HydrophobicContact CE2-CB 3.97Å; Y30-V58 HydrophobicContact CE2-CG1 3.69Å; V58-W78 WeakPolarHBondContact CA-O 3.26Å; V58-W78 WeakPolarHBondContact CG1-O 3.49Å; V58-Q79 HydrophobicContact CG1-CG 4.49Å; V58-S83 WeakPolarHBondContact CG2-OG 3.47Å; V58-F87 HydrophobicContact CB-CB 4.22Å; V58-F87 HydrophobicContact CG2-CB 3.75Å; V58-K88 HydrophobicContact CG2-CG 4.4Å; V58-C91 HydrophobicContact CG1-CB 4.06Å
59L96.6Very high92.2Very high7 Ų745.1 Ų45.14%0.03725%0.253CS..EExtended strand (participates in β ladder)trans-134157.7-172.7-61.1172.5000110.8I27 F28 K40 N52 F53 K57 W78I27-L59 HydrophobicContact CG2-CB 4.13Å; I27-L59 HydrophobicContact CG2-CD1 4.19Å; I27-L59 HydrophobicContact CG2-CD2 4.13Å; I27-L59 HydrophobicContact CG2-CG 4.38Å; F28-L59 CarbonylContact O-C 3.49Å; F28-L59 WeakPolarHBondContact O-CA 3.31Å; K40-L59 HydrophobicContact CG-CD2 4.41Å; N52-L59 WeakPolarHBondContact O-CD1 3.41Å; F53-L59 HydrophobicContact CD1-CB 4.26Å; F53-L59 HydrophobicContact CD1-CD1 4.11Å; F53-L59 HydrophobicContact CE1-CB 4.26Å; K57-L59 HydrophobicContact CB-CD1 4.19Å; K57-L59 HydrophobicContact CB-CD2 4.27Å; K57-L59 HydrophobicContact CB-CG 3.94Å; K57-L59 HydrophobicContact CD-CD1 4.44Å; K57-L59 HydrophobicContact CD-CD2 4.48Å; L59-W78 HydrophobicContact CB-CB 4.12Å; L59-W78 HydrophobicContact CB-CG 4.49Å; L59-W78 PolarHBondContact N-O 3.38Å; L59-W78 WeakPolarHBondContact O-CB 3.38Å; L59-W78 PolarHBondContact O-N 3.25Å
60Y97.5Very high91.8Very high0 Ų049.4 Ų49.40%028%0.281CS..EExtended strand (participates in β ladder)trans-122.5111.1171-57.8-82.7000108.7I27 F28 Y30 L37 I76 V77 C91 V95 V98I27-Y60 CarbonylContact C-O 3.59Å; I27-Y60 WeakPolarHBondContact CA-O 3.38Å; F28-Y60 PolarHBondContact N-O 2.95Å; F28-Y60 PolarHBondContact O-N 3.45Å; Y30-Y60 AromaticContact CE2-CE2 3.94Å; Y30-Y60 HydrophobicContact CE2-CE2 3.94Å; Y30-Y60 AromaticContact CZ-CE2 3.99Å; Y30-Y60 PolarHBondContact OH-OH 2.8Å; L37-Y60 HydrophobicContact CD1-CD2 3.91Å; L37-Y60 HydrophobicContact CD1-CE2 4.14Å; Y60-I76 CarbonylContact C-O 3.52Å; Y60-I76 VanDerWaalsContact CA-O 3.32Å; Y60-I76 WeakPolarHBondContact CA-O 3.5Å; Y60-V77 HydrophobicContact CD1-CG1 4.44Å; Y60-V77 HydrophobicContact CD1-CG2 4.31Å; Y60-V77 HydrophobicContact CE1-CG1 4.09Å; Y60-V77 HydrophobicContact CE1-CG2 4.48Å; Y60-C91 PolarHBondContact OH-SG 2.93Å; Y60-V95 HydrophobicContact CE1-CG2 4.23Å; Y60-V98 HydrophobicContact CD1-CB 4.38Å; Y60-V98 HydrophobicContact CD1-CG1 4.09Å; Y60-V98 HydrophobicContact CD1-CG2 4.24Å; Y60-V98 HydrophobicContact CD2-CG2 4.13Å; Y60-V98 HydrophobicContact CE1-CG2 4.18Å; Y60-V98 HydrophobicContact CE2-CG2 4.06Å; Y60-V98 HydrophobicContact CG-CG1 3.98Å; Y60-V98 HydrophobicContact CG-CG2 4.22Å
61G97.4Very high91.7Very high0 Ų047.9 Ų47.90%028%0.276CS..EExtended strand (participates in β ladder)trans-95.1123.6175.600000110.7L75 I76G61-L75 CarbonylContact O-C 3.55Å; G61-L75 WeakPolarHBondContact O-CA 3.46Å; G61-I76 PolarHBondContact N-O 3.2Å; G61-I76 PolarHBondContact O-N 3Å
62F98.1Very high91.7Very high0 Ų042.6 Ų42.60%025%0.246CC..EExtended strand (participates in β ladder)trans-112.1118.4173.5-178.4-116.8000109.1V15 V18 L19 W25 V26 F28 F73 C102 T104 V105V15-F62 HydrophobicContact CG1-CE1 4.39Å; V18-F62 HydrophobicContact CB-CD1 4.02Å; V18-F62 HydrophobicContact CB-CE1 4.03Å; V18-F62 HydrophobicContact CG1-CD1 3.72Å; V18-F62 HydrophobicContact CG1-CE1 3.69Å; L19-F62 HydrophobicContact CD2-CE1 4.12Å; L19-F62 HydrophobicContact CD2-CZ 3.94Å; L19-F62 HydrophobicContact CG-CE1 4.47Å; W25-F62 CarbonylContact C-O 3.58Å; W25-F62 WeakPolarHBondContact CA-O 3.25Å; V26-F62 HydrophobicContact CG1-CB 3.81Å; V26-F62 HydrophobicContact CG1-CD1 4.06Å; V26-F62 HydrophobicContact CG1-CG 4.45Å; V26-F62 PolarHBondContact N-O 3.44Å; V26-F62 PolarHBondContact O-N 2.78Å; F28-F62 HydrophobicContact CE2-CB 4.23Å; F62-F73 HydrophobicContact CE1-CD1 4.08Å; F62-F73 HydrophobicContact CE2-CB 3.71Å; F62-F73 HydrophobicContact CE2-CD1 4.21Å; F62-F73 HydrophobicContact CE2-CG 4.28Å; F62-F73 HydrophobicContact CZ-CB 3.86Å; F62-F73 AromaticContact CZ-CD1 3.57Å; F62-F73 HydrophobicContact CZ-CD1 3.57Å; F62-F73 HydrophobicContact CZ-CE1 4.39Å; F62-F73 AromaticContact CZ-CG 3.9Å; F62-F73 HydrophobicContact CZ-CG 3.9Å; F62-C102 HydrophobicContact CD2-CB 3.88Å; F62-C102 HydrophobicContact CE1-CB 4.44Å; F62-C102 HydrophobicContact CE2-CB 3.67Å; F62-C102 HydrophobicContact CG-CB 4.35Å; F62-C102 HydrophobicContact CZ-CB 3.97Å; F62-T104 WeakPolarHBondContact CE2-O 3.45Å; F62-V105 HydrophobicContact CE2-CG2 4.13Å
63I96.3Very high91.9Very high5 Ų541.5 Ų41.53%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-128.4137.6-172.3-176.5160.6000111.4W25 L46 F49 V65 F73 V74 W119W25-I63 HydrophobicContact CB-CB 4.03Å; W25-I63 HydrophobicContact CB-CD1 4.3Å; W25-I63 HydrophobicContact CB-CG1 4.03Å; L46-I63 HydrophobicContact CD1-CD1 3.97Å; F49-I63 HydrophobicContact CD1-CD1 3.97Å; F49-I63 HydrophobicContact CE1-CB 4.36Å; F49-I63 HydrophobicContact CE1-CD1 3.8Å; F49-I63 HydrophobicContact CE1-CG2 4.49Å; F49-I63 HydrophobicContact CZ-CB 4.06Å; F49-I63 HydrophobicContact CZ-CD1 4.3Å; F49-I63 HydrophobicContact CZ-CG2 4.32Å; I63-V65 HydrophobicContact CG2-CG2 4.39Å; I63-F73 WeakPolarHBondContact O-CA 3.46Å; I63-V74 HydrophobicContact CG2-CB 3.75Å; I63-V74 HydrophobicContact CG2-CG1 4.47Å; I63-V74 PolarHBondContact N-O 3.43Å; I63-V74 PolarHBondContact O-N 3.38Å; I63-W119 HydrophobicContact CD1-CH2 4.21Å; I63-W119 HydrophobicContact CD1-CZ3 3.72Å
64R96Very high91.9Very high54 Ų5440.8 Ų40.820%0.20424%0.236CC..EExtended strand (participates in β ladder)trans-89.7118.9170.3-178.4176.4176.2-79.7-2.1108.9V18 S24 E66 A71 F73V18-R64 HydrophobicContact CG1-CB 3.97Å; V18-R64 WeakPolarHBondContact O-CD 3.5Å; S24-R64 PolarHBondContact O-N 2.83Å; R64-E66 IonicContact CZ-OE1 2.65Å; R64-E66 IonicContact CZ-OE2 2.78Å; R64-E66 IonicContact NH1-OE1 2.83Å; R64-E66 IonicContact NH1-OE2 3.62Å; R64-E66 PolarHBondContact NH1-OE2 2.97Å; R64-E66 IonicContact NH2-OE1 3.45Å; R64-E66 PolarHBondContact NH2-OE1 3.35Å; R64-E66 IonicContact NH2-OE2 3.86Å; R64-E66 PolarHBondContact NH2-OE2 3.29Å; R64-A71 HydrophobicContact CG-CB 4.18Å; R64-F73 HydrophobicContact CB-CD1 4.05Å; R64-F73 HydrophobicContact CB-CE1 3.8Å; R64-F73 HydrophobicContact CG-CD1 4.32Å; R64-F73 HydrophobicContact CG-CE1 3.75Å; R64-F73 HydrophobicContact CG-CZ 4.28Å
65V93.5Very high92.2Very high0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-106.1107.7178.2-1770000108.6I63 V67 K72 V74 W119 V123 V126I63-V65 HydrophobicContact CG2-CG2 4.39Å; V65-V67 HydrophobicContact CG1-CB 4.31Å; V65-V67 HydrophobicContact CG1-CG2 3.83Å; V65-K72 PolarHBondContact N-O 3.01Å; V65-K72 PolarHBondContact O-N 3.14Å; V65-V74 HydrophobicContact CG2-CG2 3.79Å; V65-W119 HydrophobicContact CG1-CH2 4.2Å; V65-W119 HydrophobicContact CG2-CH2 3.97Å; V65-W119 HydrophobicContact CG2-CZ3 4.24Å; V65-V123 HydrophobicContact CG1-CG2 4.31Å; V65-V126 HydrophobicContact CB-CG1 4.5Å; V65-V126 HydrophobicContact CG1-CG1 4.2Å
66E88.6Confident92.5Very high123 Ų12335.2 Ų35.258%0.57520%0.197SC*.  trans-10360.3179.2-172.4165.4-134.600110.6R64R64-E66 IonicContact CZ-OE1 2.65Å; R64-E66 IonicContact CZ-OE2 2.78Å; R64-E66 IonicContact NH1-OE1 2.83Å; R64-E66 IonicContact NH1-OE2 3.62Å; R64-E66 PolarHBondContact NH1-OE2 2.97Å; R64-E66 IonicContact NH2-OE1 3.45Å; R64-E66 PolarHBondContact NH2-OE1 3.35Å; R64-E66 IonicContact NH2-OE2 3.86Å; R64-E66 PolarHBondContact NH2-OE2 3.29Å
67V83.5Confident92.7Very high68 Ų6833.6 Ų33.641%0.41218%0.18SC..SBendtrans-101.8-21.2171.6-178.40000111V65 V123 Q127V65-V67 HydrophobicContact CG1-CB 4.31Å; V65-V67 HydrophobicContact CG1-CG2 3.83Å; V67-V123 HydrophobicContact CB-CG1 4.11Å; V67-V123 HydrophobicContact CG1-CG1 3.78Å; V67-V123 HydrophobicContact CG2-CG1 3.86Å; V67-V123 HydrophobicContact CG2-CG2 3.97Å; V67-Q127 HydrophobicContact CG1-CG 4.3Å
68V75.4Confident92.9Very high27 Ų2728.3 Ų28.316%0.16416%0.157CC..SBendtrans-132.9146.3178.4-68.60000108.7P70 A71 K72 V126 Q127 T130V68-P70 CarbonylContact O-C 3.58Å; V68-P70 VanDerWaalsContact O-C 3.22Å; V68-P70 VanDerWaalsContact O-O 3.05Å; V68-A71 PolarHBondContact O-N 3.28Å; V68-K72 HydrophobicContact CG2-CG 3.61Å; V68-V126 HydrophobicContact CG2-CG1 4.29Å; V68-Q127 HydrophobicContact CG1-CG 4.14Å; V68-T130 HydrophobicContact CB-CG2 4.08Å; V68-T130 HydrophobicContact CG1-CG2 4.15Å; V68-T130 HydrophobicContact CG2-CG2 4.34Å; V68-T130 WeakPolarHBondContact CG2-OG1 3.33Å
69T80.3Confident92.9Very high127 Ų12729.2 Ų29.278%0.77916%0.16SC*.SBendtrans-101131.2171.3520000109.4
70P87.1Confident92.8Very high93 Ų9328.9 Ų28.960%0.60416%0.159SC*.SBendcis-71153.2-1.832-36.2000112.6V68 K72V68-P70 CarbonylContact O-C 3.58Å; V68-P70 VanDerWaalsContact O-C 3.22Å; V68-P70 VanDerWaalsContact O-O 3.05Å; P70-K72 WeakPolarHBondContact O-CE 3.49Å
71A90.5Very high92.5Very high20 Ų2036.1 Ų36.117%0.16519%0.193CC..PPolyproline II helixtrans-54142.2179.200000111.6R64 V68R64-A71 HydrophobicContact CG-CB 4.18Å; V68-A71 PolarHBondContact O-N 3.28Å
72K93.8Very high92.2Very high34 Ų3439.6 Ų39.615%0.14822%0.221CC..EExtended strand (participates in β ladder)trans-110153-177.5-59.3-66.1177179.10109.8V65 V68 P70 H106 V126V65-K72 PolarHBondContact N-O 3.01Å; V65-K72 PolarHBondContact O-N 3.14Å; V68-K72 HydrophobicContact CG2-CG 3.61Å; P70-K72 WeakPolarHBondContact O-CE 3.49Å; K72-H106 VanDerWaalsContact CD-CD2 3.49Å; K72-H106 WeakPolarHBondContact CD-CD2 3.26Å; K72-V126 HydrophobicContact CB-CG1 3.47Å; K72-V126 VanDerWaalsContact CB-CG1 3.47Å; K72-V126 HydrophobicContact CG-CG1 3.68Å
73F96Very high91.9Very high19 Ų1939.8 Ų39.88%0.08322%0.223CC..EExtended strand (participates in β ladder)trans-121.3130-174.9-62.8-83.3000110.2V18 L19 F62 I63 R64 T104 H106 V107V18-F73 HydrophobicContact CG1-CE1 4.38Å; L19-F73 HydrophobicContact CD2-CD1 4.11Å; L19-F73 HydrophobicContact CD2-CD2 4.43Å; L19-F73 HydrophobicContact CD2-CE1 3.71Å; L19-F73 HydrophobicContact CD2-CE2 4.07Å; L19-F73 HydrophobicContact CD2-CG 4.45Å; L19-F73 HydrophobicContact CD2-CZ 3.69Å; F62-F73 HydrophobicContact CE1-CD1 4.08Å; F62-F73 HydrophobicContact CE2-CB 3.71Å; F62-F73 HydrophobicContact CE2-CD1 4.21Å; F62-F73 HydrophobicContact CE2-CG 4.28Å; F62-F73 HydrophobicContact CZ-CB 3.86Å; F62-F73 AromaticContact CZ-CD1 3.57Å; F62-F73 HydrophobicContact CZ-CD1 3.57Å; F62-F73 HydrophobicContact CZ-CE1 4.39Å; F62-F73 AromaticContact CZ-CG 3.9Å; F62-F73 HydrophobicContact CZ-CG 3.9Å; I63-F73 WeakPolarHBondContact O-CA 3.46Å; R64-F73 HydrophobicContact CB-CD1 4.05Å; R64-F73 HydrophobicContact CB-CE1 3.8Å; R64-F73 HydrophobicContact CG-CD1 4.32Å; R64-F73 HydrophobicContact CG-CE1 3.75Å; R64-F73 HydrophobicContact CG-CZ 4.28Å; F73-T104 HydrophobicContact CD2-CG2 3.64Å; F73-T104 HydrophobicContact CE2-CG2 3.93Å; F73-T104 HydrophobicContact CG-CG2 4.25Å; F73-H106 AromaticContact CD2-CE1 3.76Å; F73-H106 AromaticContact CD2-ND1 3.87Å; F73-H106 PolarHBondContact N-ND1 3.25Å; F73-H106 WeakPolarHBondContact O-CB 3.22Å; F73-H106 PolarHBondContact O-N 3.4Å; F73-V107 PolarHBondContact O-N 2.97Å
74V96.1Very high91.6Very high0 Ų042 Ų420%024%0.238CC..EExtended strand (participates in β ladder)trans-117135.7-178.9-176.80000109I63 V65 I76 V107 I109 I122 V126I63-V74 HydrophobicContact CG2-CB 3.75Å; I63-V74 HydrophobicContact CG2-CG1 4.47Å; I63-V74 PolarHBondContact N-O 3.43Å; I63-V74 PolarHBondContact O-N 3.38Å; V65-V74 HydrophobicContact CG2-CG2 3.79Å; V74-I76 HydrophobicContact CG1-CG1 4.49Å; V74-V107 CarbonylContact C-O 3.54Å; V74-V107 WeakPolarHBondContact CA-O 3.5Å; V74-V107 HydrophobicContact CG1-CB 4.12Å; V74-V107 HydrophobicContact CG1-CG1 4.38Å; V74-V107 HydrophobicContact CG2-CB 4.09Å; V74-V107 HydrophobicContact CG2-CG2 4.48Å; V74-I109 HydrophobicContact CG1-CD1 3.88Å; V74-I109 HydrophobicContact CG1-CG1 4.12Å; V74-I122 HydrophobicContact CG1-CG2 4.36Å; V74-I122 HydrophobicContact CG2-CG2 4.21Å; V74-V126 HydrophobicContact CG2-CG2 3.47Å; V74-V126 VanDerWaalsContact CG2-CG2 3.47Å
75L97.9Very high91.2Very high0 Ų044.9 Ų44.90%025%0.254CS..EExtended strand (participates in β ladder)trans-107.6115.1171.7-179.667.4000109.4G61 V77 V98 K99 V105 V107 T108 I109G61-L75 CarbonylContact O-C 3.55Å; G61-L75 WeakPolarHBondContact O-CA 3.46Å; L75-V77 HydrophobicContact CD2-CG2 4.47Å; L75-V77 HydrophobicContact CG-CG2 4.41Å; L75-V98 HydrophobicContact CD1-CG1 4.22Å; L75-K99 HydrophobicContact CD2-CG 3.45Å; L75-K99 VanDerWaalsContact CD2-CG 3.45Å; L75-V105 HydrophobicContact CB-CG1 3.56Å; L75-V105 HydrophobicContact CB-CG2 4.16Å; L75-V107 PolarHBondContact N-O 3.06Å; L75-T108 HydrophobicContact CD2-CG2 4.46Å; L75-T108 CarbonylContact O-C 3.36Å; L75-T108 VanDerWaalsContact O-CA 3.29Å; L75-T108 WeakPolarHBondContact O-CA 3.41Å; L75-I109 PolarHBondContact O-N 3.08Å
76I97.1Very high90.9Very high0 Ų048.7 Ų48.70%028%0.281CS..EExtended strand (participates in β ladder)trans-90.8119.9171.8-60.3177.6000108.3F49 F53 Y60 G61 V74 I109 L117 I122F49-I76 HydrophobicContact CE1-CD1 3.53Å; F49-I76 HydrophobicContact CZ-CD1 3.64Å; F53-I76 HydrophobicContact CE1-CG2 4.04Å; F53-I76 HydrophobicContact CE2-CD1 4.39Å; F53-I76 HydrophobicContact CZ-CB 4.31Å; F53-I76 HydrophobicContact CZ-CD1 4.24Å; F53-I76 HydrophobicContact CZ-CG2 4.04Å; Y60-I76 CarbonylContact C-O 3.52Å; Y60-I76 VanDerWaalsContact CA-O 3.32Å; Y60-I76 WeakPolarHBondContact CA-O 3.5Å; G61-I76 PolarHBondContact N-O 3.2Å; G61-I76 PolarHBondContact O-N 3Å; V74-I76 HydrophobicContact CG1-CG1 4.49Å; I76-I109 CarbonylContact C-O 3.54Å; I76-I109 WeakPolarHBondContact CA-O 3.26Å; I76-L117 HydrophobicContact CD1-CD2 3.98Å; I76-L117 HydrophobicContact CG1-CD2 4.39Å; I76-L117 HydrophobicContact CG2-CD1 4.31Å; I76-L117 HydrophobicContact CG2-CD2 3.74Å; I76-I122 HydrophobicContact CD1-CD1 4.44Å
77V97.1Very high91Very high5 Ų543.8 Ų43.83%0.0326%0.257CS..EExtended strand (participates in β ladder)trans-99103.7171.2-178.60000107Y60 L75 C91 V95 T108 I109 N110 A111Y60-V77 HydrophobicContact CD1-CG1 4.44Å; Y60-V77 HydrophobicContact CD1-CG2 4.31Å; Y60-V77 HydrophobicContact CE1-CG1 4.09Å; Y60-V77 HydrophobicContact CE1-CG2 4.48Å; L75-V77 HydrophobicContact CD2-CG2 4.47Å; L75-V77 HydrophobicContact CG-CG2 4.41Å; V77-C91 VanDerWaalsContact CG1-SG 3.56Å; V77-V95 HydrophobicContact CG1-CG2 3.9Å; V77-V95 HydrophobicContact CG2-CG1 4.25Å; V77-V95 HydrophobicContact CG2-CG2 3.99Å; V77-T108 HydrophobicContact CG2-CG2 3.92Å; V77-I109 PolarHBondContact N-O 3.29Å; V77-N110 WeakPolarHBondContact O-CA 3.42Å; V77-N110 PolarHBondContact O-OD1 2.97Å; V77-A111 PolarHBondContact O-N 3.46Å
78W97Very high91.4Very high5 Ų541.7 Ų41.72%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-98.1122.5-176.8176.7-100.2000111.3F53 S54 K57 V58 L59 A111 S113 L117F53-W78 HydrophobicContact CB-CD2 3.79Å; F53-W78 HydrophobicContact CB-CE3 3.98Å; F53-W78 HydrophobicContact CB-CG 4.28Å; F53-W78 HydrophobicContact CB-CH2 4.1Å; F53-W78 HydrophobicContact CB-CZ2 3.98Å; F53-W78 HydrophobicContact CB-CZ3 4.12Å; F53-W78 HydrophobicContact CD1-CB 3.55Å; F53-W78 AromaticContact CD1-CD2 3.84Å; F53-W78 HydrophobicContact CD1-CD2 3.84Å; F53-W78 HydrophobicContact CD1-CE3 4.19Å; F53-W78 AromaticContact CD1-CG 3.55Å; F53-W78 HydrophobicContact CD1-CG 3.55Å; F53-W78 HydrophobicContact CE1-CB 3.88Å; F53-W78 HydrophobicContact CE1-CG 4.37Å; F53-W78 HydrophobicContact CG-CD2 4.15Å; F53-W78 HydrophobicContact CG-CE3 4.24Å; F53-W78 HydrophobicContact CG-CG 4.31Å; F53-W78 VanDerWaalsContact O-CZ2 3.24Å; F53-W78 WeakPolarHBondContact O-CZ2 3.26Å; S54-W78 PolarHBondContact O-NE1 2.71Å; K57-W78 PolarHBondContact O-NE1 3.25Å; V58-W78 WeakPolarHBondContact CA-O 3.26Å; V58-W78 WeakPolarHBondContact CG1-O 3.49Å; L59-W78 HydrophobicContact CB-CB 4.12Å; L59-W78 HydrophobicContact CB-CG 4.49Å; L59-W78 PolarHBondContact N-O 3.38Å; L59-W78 WeakPolarHBondContact O-CB 3.38Å; L59-W78 PolarHBondContact O-N 3.25Å; W78-A111 WeakPolarHBondContact CA-O 3.38Å; W78-A111 HydrophobicContact CE3-CB 3.79Å; W78-A111 HydrophobicContact CZ3-CB 4.14Å; W78-S113 VanDerWaalsContact CH2-CA 3.49Å; W78-S113 WeakPolarHBondContact CZ3-O 3.42Å; W78-L117 HydrophobicContact CE3-CD1 3.8Å; W78-L117 HydrophobicContact CE3-CG 4.46Å; W78-L117 HydrophobicContact CZ3-CD1 3.73Å; W78-L117 HydrophobicContact CZ3-CG 4.21Å
79Q94.9Very high92Very high26 Ų2646.3 Ų46.312%0.12127%0.266CS..EExtended strand (participates in β ladder)trans-125.674.1177.9-66-178.876.600109.5V58 C91 N110 A111 R112V58-Q79 HydrophobicContact CG1-CG 4.49Å; Q79-C91 HydrophobicContact CG-CB 4.46Å; Q79-N110 PolarHBondContact NE2-OD1 3.13Å; Q79-A111 PolarHBondContact N-O 3.23Å; Q79-R112 HydrophobicContact CB-CG 4.35Å; Q79-R112 WeakPolarHBondContact O-CA 3.42Å
80G94Very high92.4Very high0 Ų040.3 Ų40.30%023%0.229CC..  trans-53145.7-176.500000112.9S55 K57 A82 S83 K88S55-G80 CarbonylContact O-C 3.5Å; S55-G80 WeakPolarHBondContact O-CA 3.4Å; K57-G80 PolarHBondContact O-N 3.32Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.03Å; G80-S83 VanDerWaalsContact O-CB 3.27Å; G80-S83 WeakPolarHBondContact O-CB 3.49Å; G80-S83 PolarHBondContact O-N 3.08Å; G80-S83 PolarHBondContact O-OG 3.24Å; G80-K88 WeakPolarHBondContact O-CE 3.48Å
81E91.6Very high92.6Very high153 Ų15335.9 Ų35.972%0.71520%0.201SC*.THydrogen-bonded Turntrans-57.2-41.5-174-172.4174.5-173.100113.8S55 S83 K88S55-E81 PolarHBondContact O-N 2.82Å; E81-S83 VanDerWaalsContact C-N 3.35Å; E81-K88 PolarHBondContact O-NZ 3.12Å
82A92.2Very high92.7Very high73 Ų7338.6 Ų38.660%0.60322%0.217SC*.THydrogen-bonded Turntrans-928.7179.600000113.5S55 G80S55-A82 CarbonylContact O-C 2.97Å; S55-A82 WeakPolarHBondContact O-CA 3.35Å; S55-A82 PolarHBondContact O-N 3.18Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.03Å
83S91.1Very high92.6Very high4 Ų445.4 Ų45.43%0.02824%0.241CC..SBendtrans-71.4158.2-179.268.40000112.3S55 G56 K57 V58 G80 E81 E85 K88S55-S83 PolarHBondContact O-N 3.14Å; G56-S83 WeakPolarHBondContact O-CA 3.4Å; K57-S83 VanDerWaalsContact C-CB 3.48Å; K57-S83 WeakPolarHBondContact O-CB 3.4Å; V58-S83 WeakPolarHBondContact CG2-OG 3.47Å; G80-S83 VanDerWaalsContact O-CB 3.27Å; G80-S83 WeakPolarHBondContact O-CB 3.49Å; G80-S83 PolarHBondContact O-N 3.08Å; G80-S83 PolarHBondContact O-OG 3.24Å; E81-S83 VanDerWaalsContact C-N 3.35Å; S83-E85 PolarHBondContact O-N 3.48Å; S83-K88 WeakPolarHBondContact O-CE 3.43Å; S83-K88 PolarHBondContact O-NZ 3.21Å; S83-K88 VanDerWaalsContact O-NZ 3.16Å; S83-K88 WeakPolarHBondContact OG-CE 3.38Å; S83-K88 WeakPolarHBondContact OG-CG 3.49Å
84S89.4Confident92.6Very high51 Ų5144.8 Ų44.836%0.35724%0.239SC..  trans-59.4127.4-177.8177.70000112.2S86 F87 K88S84-S86 PolarHBondContact O-N 3.07Å; S84-F87 PolarHBondContact O-N 3.07Å; S84-K88 PolarHBondContact O-N 3.01Å
85E87.8Confident92.6Very high115 Ų11545.7 Ų45.754%0.53724%0.244SC..Hα-helixtrans-56.7-36.2178.4-67.4-55.7131.900112.4S83 F87 K88 L89S83-E85 PolarHBondContact O-N 3.48Å; E85-F87 VanDerWaalsContact C-N 3.28Å; E85-F87 PolarHBondContact O-N 3.35Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 WeakPolarHBondContact OE1-CD 3.49Å; E85-K88 IonicContact OE1-NZ 3.53Å; E85-K88 PolarHBondContact OE1-NZ 3.43Å; E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.29Å; E85-L89 PolarHBondContact O-N 3.33Å
86S87.8Confident92.4Very high79 Ų7949.7 Ų49.755%0.55227%0.265SS*.Hα-helixtrans-59.9-40.1177-550000111.9S84 A90S84-S86 PolarHBondContact O-N 3.07Å; S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 2.92Å; S86-A90 VanDerWaalsContact O-N 3.17Å
87F90.3Very high92.2Very high20 Ų2051.5 Ų51.59%0.08828%0.278CS..Hα-helixtrans-77.2-35.3177-65.5-45.9000112.7Y30 G32 T34 H35 V58 S84 E85 L89 A90 C91Y30-F87 AromaticContact CD1-CD1 3.97Å; Y30-F87 HydrophobicContact CD1-CD1 3.97Å; Y30-F87 AromaticContact CD1-CE1 3.95Å; Y30-F87 HydrophobicContact CD1-CE1 3.95Å; Y30-F87 HydrophobicContact CD2-CB 4.26Å; Y30-F87 HydrophobicContact CD2-CD1 4.05Å; Y30-F87 HydrophobicContact CD2-CD2 4.49Å; Y30-F87 HydrophobicContact CD2-CG 4.03Å; Y30-F87 HydrophobicContact CE1-CD1 4.32Å; Y30-F87 HydrophobicContact CE2-CB 4.32Å; Y30-F87 HydrophobicContact CE2-CD1 4.41Å; Y30-F87 HydrophobicContact CE2-CG 4.47Å; Y30-F87 AromaticContact CG-CD1 3.81Å; Y30-F87 HydrophobicContact CG-CD1 3.81Å; Y30-F87 AromaticContact CG-CE1 3.88Å; Y30-F87 HydrophobicContact CG-CE1 3.88Å; Y30-F87 HydrophobicContact CG-CG 4.18Å; Y30-F87 HydrophobicContact CG-CZ 4.27Å; G32-F87 WeakPolarHBondContact O-CE2 3.37Å; G32-F87 WeakPolarHBondContact O-CZ 3.39Å; T34-F87 WeakPolarHBondContact O-CE1 3.25Å; H35-F87 AromaticContact CD2-CE1 3.88Å; V58-F87 HydrophobicContact CB-CB 4.22Å; V58-F87 HydrophobicContact CG2-CB 3.75Å; S84-F87 PolarHBondContact O-N 3.07Å; E85-F87 VanDerWaalsContact C-N 3.28Å; E85-F87 PolarHBondContact O-N 3.35Å; F87-L89 VanDerWaalsContact C-N 3.31Å; F87-L89 PolarHBondContact O-N 2.81Å; F87-A90 PolarHBondContact O-N 2.82Å; F87-A90 VanDerWaalsContact O-N 3.16Å; F87-C91 VanDerWaalsContact O-CB 3.24Å; F87-C91 WeakPolarHBondContact O-CB 3.42Å; F87-C91 PolarHBondContact O-N 2.96Å
88K91.4Very high92.2Very high24 Ų2451.2 Ų51.210%0.10428%0.276CS..Hα-helixtrans-59-43.5172.9-67.8177.3-174.7163.80111.4V58 G80 E81 S83 S84 E85 A90 C91 P92V58-K88 HydrophobicContact CG2-CG 4.4Å; G80-K88 WeakPolarHBondContact O-CE 3.48Å; E81-K88 PolarHBondContact O-NZ 3.12Å; S83-K88 WeakPolarHBondContact O-CE 3.43Å; S83-K88 PolarHBondContact O-NZ 3.21Å; S83-K88 VanDerWaalsContact O-NZ 3.16Å; S83-K88 WeakPolarHBondContact OG-CE 3.38Å; S83-K88 WeakPolarHBondContact OG-CG 3.49Å; S84-K88 PolarHBondContact O-N 3.01Å; E85-K88 PolarHBondContact O-N 3.45Å; E85-K88 WeakPolarHBondContact OE1-CD 3.49Å; E85-K88 IonicContact OE1-NZ 3.53Å; E85-K88 PolarHBondContact OE1-NZ 3.43Å; K88-A90 VanDerWaalsContact C-N 3.32Å; K88-A90 PolarHBondContact O-N 3.3Å; K88-C91 PolarHBondContact O-N 3.25Å; K88-P92 WeakPolarHBondContact O-CD 3.34Å
89L89.1Confident92.1Very high125 Ų12554.3 Ų54.365%0.65429%0.29SS*.Hα-helixtrans-68.6-29.6176.2-67.9169.6000113.1E85 F87E85-L89 VanDerWaalsContact O-CG 3.3Å; E85-L89 WeakPolarHBondContact O-CG 3.29Å; E85-L89 PolarHBondContact O-N 3.33Å; F87-L89 VanDerWaalsContact C-N 3.31Å; F87-L89 PolarHBondContact O-N 2.81Å
90A89Confident92.1Very high1 Ų161.4 Ų61.41%0.00832%0.315CS..Hα-helixtrans-80.6-33.7177.300000112.7S86 F87 K88 R93 H94S86-A90 WeakPolarHBondContact O-CB 3.43Å; S86-A90 PolarHBondContact O-N 2.92Å; S86-A90 VanDerWaalsContact O-N 3.17Å; F87-A90 PolarHBondContact O-N 2.82Å; F87-A90 VanDerWaalsContact O-N 3.16Å; K88-A90 VanDerWaalsContact C-N 3.32Å; K88-A90 PolarHBondContact O-N 3.3Å; A90-R93 PolarHBondContact O-N 3.36Å; A90-R93 VanDerWaalsContact O-N 3.11Å; A90-H94 PolarHBondContact O-N 3.19Å
91C91.5Very high92.1Very high0 Ų062.7 Ų62.70%032%0.322CS..Hα-helixtrans-52.9-51.8-169.7178.20000113.7V58 Y60 V77 Q79 F87 K88 R93 H94 V95V58-C91 HydrophobicContact CG1-CB 4.06Å; Y60-C91 PolarHBondContact OH-SG 2.93Å; V77-C91 VanDerWaalsContact CG1-SG 3.56Å; Q79-C91 HydrophobicContact CG-CB 4.46Å; F87-C91 VanDerWaalsContact O-CB 3.24Å; F87-C91 WeakPolarHBondContact O-CB 3.42Å; F87-C91 PolarHBondContact O-N 2.96Å; K88-C91 PolarHBondContact O-N 3.25Å; C91-R93 PolarHBondContact O-N 2.75Å; C91-H94 WeakPolarHBondContact O-CA 3.24Å; C91-H94 WeakPolarHBondContact O-CB 3.48Å; C91-H94 PolarHBondContact O-N 3.18Å; C91-V95 WeakPolarHBondContact O-CG2 3.03Å; C91-V95 PolarHBondContact O-N 3.19Å
92P92.3Very high92.3Very high77 Ų7755.4 Ų55.450%0.529%0.288SS..Hα-helixtrans-55.5-38.4180-27.434.7000113.6K88 H94K88-P92 WeakPolarHBondContact O-CD 3.34Å; P92-H94 VanDerWaalsContact C-N 3.26Å; P92-H94 PolarHBondContact O-N 2.93Å
93R91.8Very high92.2Very high177 Ų17760 Ų6067%0.66829%0.29SS*.Hα-helixtrans-71.9-22.7178.4-62.9-177.2-69.8-173.8-3112.7A90 C91A90-R93 PolarHBondContact O-N 3.36Å; A90-R93 VanDerWaalsContact O-N 3.11Å; C91-R93 PolarHBondContact O-N 2.75Å
94H95.1Very high92.2Very high5 Ų562.2 Ų62.22%0.02330%0.303CS..Hα-helixtrans-92.8-21.6-177.7-62.9172.9000112.8I2 Y30 H35 A90 C91 P92 D96 C97 V98I2-H94 HydrophobicContact CB-CB 4.17Å; I2-H94 HydrophobicContact CD1-CB 3.91Å; I2-H94 HydrophobicContact CG2-CB 4.32Å; Y30-H94 AromaticContact CE1-ND1 3.69Å; Y30-H94 AromaticContact CZ-ND1 3.7Å; Y30-H94 PolarHBondContact OH-ND1 3.17Å; H35-H94 AromaticContact CG-CE1 3.87Å; A90-H94 PolarHBondContact O-N 3.19Å; C91-H94 WeakPolarHBondContact O-CA 3.24Å; C91-H94 WeakPolarHBondContact O-CB 3.48Å; C91-H94 PolarHBondContact O-N 3.18Å; P92-H94 VanDerWaalsContact C-N 3.26Å; P92-H94 PolarHBondContact O-N 2.93Å; H94-D96 VanDerWaalsContact C-N 3.32Å; H94-D96 PolarHBondContact O-N 2.77Å; H94-C97 WeakPolarHBondContact O-CB 3.35Å; H94-C97 PolarHBondContact O-N 3.39Å; H94-V98 PolarHBondContact O-N 3.18Å
95V95.4Very high92.5Very high20 Ų2061.6 Ų61.612%0.12130%0.297CS..Hα-helixtrans-51.6-47.4-177.8170.30000112Y60 V77 C91 C97 V98 K99Y60-V95 HydrophobicContact CE1-CG2 4.23Å; V77-V95 HydrophobicContact CG1-CG2 3.9Å; V77-V95 HydrophobicContact CG2-CG1 4.25Å; V77-V95 HydrophobicContact CG2-CG2 3.99Å; C91-V95 WeakPolarHBondContact O-CG2 3.03Å; C91-V95 PolarHBondContact O-N 3.19Å; V95-C97 VanDerWaalsContact C-N 3.29Å; V95-C97 PolarHBondContact O-N 2.69Å; V95-V98 PolarHBondContact O-N 2.74Å; V95-K99 HydrophobicContact CG1-CD 4.05Å; V95-K99 HydrophobicContact CG1-CG 4.29Å; V95-K99 WeakPolarHBondContact O-CG 3.1Å; V95-K99 PolarHBondContact O-N 2.7Å
96D94.1Very high92.8Very high83 Ų8359.6 Ų59.644%0.44429%0.288SS..Hα-helixtrans-67.7-30.6-178.6-62.9-39000112.8H94 R100H94-D96 VanDerWaalsContact C-N 3.32Å; H94-D96 PolarHBondContact O-N 2.77Å; D96-R100 VanDerWaalsContact O-CG 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.37Å; D96-R100 PolarHBondContact O-N 2.61Å; D96-R100 VanDerWaalsContact O-N 3.12Å; D96-R100 PolarHBondContact O-NH1 3.01Å
97C94.2Very high93.1Very high38 Ų3856.7 Ų56.726%0.25727%0.267SS..Hα-helixtrans-67.8-41.5174.6-60.60000110.4I2 L4 H94 V95 R100 L101I2-C97 HydrophobicContact CG2-CB 3.42Å; I2-C97 VanDerWaalsContact CG2-CB 3.42Å; L4-C97 HydrophobicContact CD1-CB 4.19Å; H94-C97 WeakPolarHBondContact O-CB 3.35Å; H94-C97 PolarHBondContact O-N 3.39Å; V95-C97 VanDerWaalsContact C-N 3.29Å; V95-C97 PolarHBondContact O-N 2.69Å; C97-R100 PolarHBondContact O-N 2.86Å; C97-L101 PolarHBondContact O-N 3.25Å; C97-L101 VanDerWaalsContact O-N 3.08Å
98V95.7Very high93.4Very high0 Ų058.5 Ų58.50%028%0.279CS..Hα-helixtrans-68.3-40.2176.3-179.40000111.6I2 L37 Y60 L75 H94 V95 R100 L101 C102I2-V98 HydrophobicContact CD1-CG2 4.17Å; L37-V98 HydrophobicContact CD2-CG2 4.18Å; Y60-V98 HydrophobicContact CD1-CB 4.38Å; Y60-V98 HydrophobicContact CD1-CG1 4.09Å; Y60-V98 HydrophobicContact CD1-CG2 4.24Å; Y60-V98 HydrophobicContact CD2-CG2 4.13Å; Y60-V98 HydrophobicContact CE1-CG2 4.18Å; Y60-V98 HydrophobicContact CE2-CG2 4.06Å; Y60-V98 HydrophobicContact CG-CG1 3.98Å; Y60-V98 HydrophobicContact CG-CG2 4.22Å; L75-V98 HydrophobicContact CD1-CG1 4.22Å; H94-V98 PolarHBondContact O-N 3.18Å; V95-V98 PolarHBondContact O-N 2.74Å; V98-R100 VanDerWaalsContact C-N 3.3Å; V98-R100 PolarHBondContact O-N 3.13Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-L101 VanDerWaalsContact O-N 3.14Å; V98-C102 PolarHBondContact O-N 3.07Å; V98-C102 PolarHBondContact O-SG 3.12Å
99K96Very high93.5Very high70 Ų7057.9 Ų57.930%0.30428%0.277SS..Hα-helixtrans-57.8-42.4173.4-75.4177.6176.9-176.70112.1L75 V95 C102 R103 T108L75-K99 HydrophobicContact CD2-CG 3.45Å; L75-K99 VanDerWaalsContact CD2-CG 3.45Å; V95-K99 HydrophobicContact CG1-CD 4.05Å; V95-K99 HydrophobicContact CG1-CG 4.29Å; V95-K99 WeakPolarHBondContact O-CG 3.1Å; V95-K99 PolarHBondContact O-N 2.7Å; K99-C102 PolarHBondContact O-N 3.05Å; K99-R103 PolarHBondContact O-N 3.47Å; K99-T108 WeakPolarHBondContact CE-OG1 3.47Å; K99-T108 PolarHBondContact NZ-OG1 2.99Å
100R94.5Very high93.8Very high175 Ų17556.9 Ų56.966%0.6627%0.272SS*.Hα-helixtrans-65-38.2175.9-72179-162.397.9-3.7112.1D96 C97 V98 C102 R103D96-R100 VanDerWaalsContact O-CG 3.29Å; D96-R100 WeakPolarHBondContact O-CG 3.37Å; D96-R100 PolarHBondContact O-N 2.61Å; D96-R100 VanDerWaalsContact O-N 3.12Å; D96-R100 PolarHBondContact O-NH1 3.01Å; C97-R100 PolarHBondContact O-N 2.86Å; V98-R100 VanDerWaalsContact C-N 3.3Å; V98-R100 PolarHBondContact O-N 3.13Å; R100-C102 VanDerWaalsContact C-N 3.34Å; R100-C102 PolarHBondContact O-N 3.41Å; R100-R103 PolarHBondContact O-N 2.84Å
101L94.9Very high94.1Very high27 Ų2756.8 Ų56.814%0.14127%0.272CS..Hα-helixtrans-59.3-43.5174.1173.867.4000111.6L4 L11 V15 L37 C97 V98 R103L4-L101 HydrophobicContact CD1-CB 4.49Å; L11-L101 HydrophobicContact CB-CD1 4.24Å; L11-L101 HydrophobicContact CB-CD2 4.11Å; L11-L101 HydrophobicContact CD1-CD2 4.32Å; L11-L101 HydrophobicContact CD2-CD2 4.5Å; V15-L101 HydrophobicContact CG2-CG 4.21Å; L37-L101 HydrophobicContact CD2-CD2 4.3Å; C97-L101 PolarHBondContact O-N 3.25Å; C97-L101 VanDerWaalsContact O-N 3.08Å; V98-L101 WeakPolarHBondContact O-CB 3.39Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-L101 VanDerWaalsContact O-N 3.14Å; L101-R103 PolarHBondContact O-N 3.43Å
102C94Very high94.2Very high0 Ų064.1 Ų64.10%030%0.3CS..THydrogen-bonded Turntrans-71.3-8-179.8-64.40000114.7F62 V98 K99 R100 T104 V105F62-C102 HydrophobicContact CD2-CB 3.88Å; F62-C102 HydrophobicContact CE1-CB 4.44Å; F62-C102 HydrophobicContact CE2-CB 3.67Å; F62-C102 HydrophobicContact CG-CB 4.35Å; F62-C102 HydrophobicContact CZ-CB 3.97Å; V98-C102 PolarHBondContact O-N 3.07Å; V98-C102 PolarHBondContact O-SG 3.12Å; K99-C102 PolarHBondContact O-N 3.05Å; R100-C102 VanDerWaalsContact C-N 3.34Å; R100-C102 PolarHBondContact O-N 3.41Å; C102-T104 PolarHBondContact O-N 3.13Å; C102-V105 HydrophobicContact CB-CG2 3.82Å
103R90.7Very high94.2Very high168 Ų16862.6 Ų62.663%0.63429%0.291SS*.SBendtrans61.4-52.5-175.6-56-171.4-175.4124.77115.9N16 K99 R100 L101N16-R103 VanDerWaalsContact OD1-CZ 3.31Å; N16-R103 PolarHBondContact OD1-NH1 3.08Å; N16-R103 PolarHBondContact OD1-NH2 3.25Å; K99-R103 PolarHBondContact O-N 3.47Å; R100-R103 PolarHBondContact O-N 2.84Å; L101-R103 PolarHBondContact O-N 3.43Å
104T92.3Very high94Very high51 Ų5162 Ų6231%0.31330%0.295SS..  trans-127.7122.8-179.5-179.90000110.4L19 F62 F73 C102 H106L19-T104 HydrophobicContact CD2-CG2 3.54Å; F62-T104 WeakPolarHBondContact CE2-O 3.45Å; F73-T104 HydrophobicContact CD2-CG2 3.64Å; F73-T104 HydrophobicContact CE2-CG2 3.93Å; F73-T104 HydrophobicContact CG-CG2 4.25Å; C102-T104 PolarHBondContact O-N 3.13Å; T104-H106 PolarHBondContact OG1-CE1 3.49Å
105V95.1Very high93.8Very high39 Ų3966 Ų6624%0.23632%0.324CS..  trans-137.4121.8175.7178.20000106.8F62 L75 C102 V107F62-V105 HydrophobicContact CE2-CG2 4.13Å; L75-V105 HydrophobicContact CB-CG1 3.56Å; L75-V105 HydrophobicContact CB-CG2 4.16Å; C102-V105 HydrophobicContact CB-CG2 3.82Å; V105-V107 VanDerWaalsContact CG1-O 3.29Å; V105-V107 WeakPolarHBondContact CG1-O 3.2Å
106H93.5Very high93.5Very high72 Ų7268.3 Ų68.333%0.33334%0.336SS..SBendtrans-93.6-39.6-178.6-62.782.6000111.6K72 F73 T104 L129K72-H106 VanDerWaalsContact CD-CD2 3.49Å; K72-H106 WeakPolarHBondContact CD-CD2 3.26Å; F73-H106 AromaticContact CD2-CE1 3.76Å; F73-H106 AromaticContact CD2-ND1 3.87Å; F73-H106 PolarHBondContact N-ND1 3.25Å; F73-H106 WeakPolarHBondContact O-CB 3.22Å; F73-H106 PolarHBondContact O-N 3.4Å; T104-H106 PolarHBondContact OG1-CE1 3.49Å; H106-L129 HydrophobicContact CB-CD1 4.48Å; H106-L129 WeakPolarHBondContact O-CD1 3.31Å
107V94.1Very high93.4Very high19 Ų1964.9 Ų64.912%0.11532%0.317CS..EExtended strand (participates in β ladder)trans-128137177.7-175.70000108.6F73 V74 L75 V105 I109 V126 L129F73-V107 PolarHBondContact O-N 2.97Å; V74-V107 CarbonylContact C-O 3.54Å; V74-V107 WeakPolarHBondContact CA-O 3.5Å; V74-V107 HydrophobicContact CG1-CB 4.12Å; V74-V107 HydrophobicContact CG1-CG1 4.38Å; V74-V107 HydrophobicContact CG2-CB 4.09Å; V74-V107 HydrophobicContact CG2-CG2 4.48Å; L75-V107 PolarHBondContact N-O 3.06Å; V105-V107 VanDerWaalsContact CG1-O 3.29Å; V105-V107 WeakPolarHBondContact CG1-O 3.2Å; V107-I109 HydrophobicContact CG1-CD1 4.23Å; V107-I109 HydrophobicContact CG1-CG1 3.8Å; V107-V126 HydrophobicContact CG2-CG2 3.93Å; V107-L129 HydrophobicContact CG2-CD1 3.35Å; V107-L129 HydrophobicContact CG2-CG 4.39Å
108T96Very high93.2Very high57 Ų5766.5 Ų66.535%0.3532%0.324SS..EExtended strand (participates in β ladder)trans-114.7127.9168-540000109.1L75 V77 K99L75-T108 HydrophobicContact CD2-CG2 4.46Å; L75-T108 CarbonylContact O-C 3.36Å; L75-T108 VanDerWaalsContact O-CA 3.29Å; L75-T108 WeakPolarHBondContact O-CA 3.41Å; V77-T108 HydrophobicContact CG2-CG2 3.92Å; K99-T108 WeakPolarHBondContact CE-OG1 3.47Å; K99-T108 PolarHBondContact NZ-OG1 2.99Å
109I95.2Very high92.9Very high12 Ų1270.2 Ų70.26%0.06234%0.337CS..EExtended strand (participates in β ladder)trans-118.4120.8-179.5-59179.4000108V74 L75 I76 V77 V107 L117 I122V74-I109 HydrophobicContact CG1-CD1 3.88Å; V74-I109 HydrophobicContact CG1-CG1 4.12Å; L75-I109 PolarHBondContact O-N 3.08Å; I76-I109 CarbonylContact C-O 3.54Å; I76-I109 WeakPolarHBondContact CA-O 3.26Å; V77-I109 PolarHBondContact N-O 3.29Å; V107-I109 HydrophobicContact CG1-CD1 4.23Å; V107-I109 HydrophobicContact CG1-CG1 3.8Å; I109-L117 HydrophobicContact CG2-CD2 4.49Å; I109-I122 HydrophobicContact CD1-CB 4.32Å; I109-I122 HydrophobicContact CD1-CD1 4.43Å; I109-I122 HydrophobicContact CD1-CG1 3.63Å; I109-I122 HydrophobicContact CD1-CG2 4.23Å
110N95.6Very high92.7Very high103 Ų10372 Ų7255%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-92.9120.1172-171.411.1000108.6V77 Q79V77-N110 WeakPolarHBondContact O-CA 3.42Å; V77-N110 PolarHBondContact O-OD1 2.97Å; Q79-N110 PolarHBondContact NE2-OD1 3.13Å
111A95Very high92.4Very high0 Ų067.7 Ų67.70%034%0.338CS..EExtended strand (participates in β ladder)trans-127.4141.6-176.100000110.1V77 W78 Q79 N116 L117V77-A111 PolarHBondContact O-N 3.46Å; W78-A111 WeakPolarHBondContact CA-O 3.38Å; W78-A111 HydrophobicContact CE3-CB 3.79Å; W78-A111 HydrophobicContact CZ3-CB 4.14Å; Q79-A111 PolarHBondContact N-O 3.23Å; A111-N116 HydrophobicContact CB-CB 3.79Å; A111-L117 HydrophobicContact CB-CD1 4.45Å; A111-L117 HydrophobicContact CB-CD2 3.49Å; A111-L117 VanDerWaalsContact CB-CD2 3.49Å; A111-L117 HydrophobicContact CB-CG 3.87Å
112R92.8Very high92.3Very high154 Ų15466.7 Ų66.758%0.58133%0.332SS*.SBendtrans-118.3-24177.3-61.4179.575.8178.52.2112.3Q79 N116Q79-R112 HydrophobicContact CB-CG 4.35Å; Q79-R112 WeakPolarHBondContact O-CA 3.42Å; R112-N116 PolarHBondContact N-OD1 2.93Å; R112-N116 VanDerWaalsContact N-OD1 3.14Å
113S92.3Very high92.2Very high44 Ų4467.4 Ų67.431%0.30834%0.337SS..SBendtrans-136.5159.4177.555.50000110.5W78 S115 N116W78-S113 VanDerWaalsContact CH2-CA 3.49Å; W78-S113 WeakPolarHBondContact CZ3-O 3.42Å; S113-S115 PolarHBondContact O-N 3.03Å; S113-S115 PolarHBondContact OG-OG 3.24Å; S113-N116 PolarHBondContact N-OD1 2.87Å; S113-N116 WeakPolarHBondContact O-CB 3.35Å; S113-N116 PolarHBondContact O-N 2.94Å; S113-N116 PolarHBondContact OG-OD1 2.99Å
114E88.8Confident92.1Very high165 Ų16562.6 Ų62.677%0.77133%0.326SS*.G310 helixtrans-59.4-29.5179.963.7-171.9176.300112.3N116 L117E114-N116 PolarHBondContact O-N 2.81Å; E114-N116 VanDerWaalsContact O-N 3.1Å; E114-L117 WeakPolarHBondContact O-CA 3.32Å; E114-L117 PolarHBondContact O-N 2.76Å
115S89.1Confident92Very high90 Ų9064 Ų6463%0.62933%0.328SS*.G310 helixtrans-61.9-16.2174.457.30000114.1S113S113-S115 PolarHBondContact O-N 3.03Å; S113-S115 PolarHBondContact OG-OG 3.24Å
116N90Very high91.8Very high67 Ų6762.2 Ų62.236%0.35832%0.317SS..G310 helixtrans-87.6-6.7172.4-54.5138.4000113.1A111 R112 S113 E114A111-N116 HydrophobicContact CB-CB 3.79Å; R112-N116 PolarHBondContact N-OD1 2.93Å; R112-N116 VanDerWaalsContact N-OD1 3.14Å; S113-N116 PolarHBondContact N-OD1 2.87Å; S113-N116 WeakPolarHBondContact O-CB 3.35Å; S113-N116 PolarHBondContact O-N 2.94Å; S113-N116 PolarHBondContact OG-OD1 2.99Å; E114-N116 PolarHBondContact O-N 2.81Å; E114-N116 VanDerWaalsContact O-N 3.1Å
117L91.9Very high91.5Very high12 Ų1262.1 Ų62.16%0.06332%0.317CS..  trans-112.457-174.9-62.3-173.5000111.3L50 F53 I76 W78 I109 A111 E114L50-L117 HydrophobicContact CD2-CB 4.19Å; F53-L117 HydrophobicContact CB-CD1 4.28Å; F53-L117 HydrophobicContact CD2-CD1 3.66Å; F53-L117 HydrophobicContact CE2-CD1 4.08Å; F53-L117 HydrophobicContact CG-CD1 3.91Å; I76-L117 HydrophobicContact CD1-CD2 3.98Å; I76-L117 HydrophobicContact CG1-CD2 4.39Å; I76-L117 HydrophobicContact CG2-CD1 4.31Å; I76-L117 HydrophobicContact CG2-CD2 3.74Å; W78-L117 HydrophobicContact CE3-CD1 3.8Å; W78-L117 HydrophobicContact CE3-CG 4.46Å; W78-L117 HydrophobicContact CZ3-CD1 3.73Å; W78-L117 HydrophobicContact CZ3-CG 4.21Å; I109-L117 HydrophobicContact CG2-CD2 4.49Å; A111-L117 HydrophobicContact CB-CD1 4.45Å; A111-L117 HydrophobicContact CB-CD2 3.49Å; A111-L117 VanDerWaalsContact CB-CD2 3.49Å; A111-L117 HydrophobicContact CB-CG 3.87Å; E114-L117 WeakPolarHBondContact O-CA 3.32Å; E114-L117 PolarHBondContact O-N 2.76Å
118D90.7Very high91.1Very high72 Ų7265.7 Ų65.739%0.38534%0.335SS..  trans-83.7124.9171.3-177.278000111.1N120 E121 I122D118-N120 VanDerWaalsContact C-N 3.32Å; D118-N120 PolarHBondContact O-N 3.38Å; D118-N120 WeakPolarHBondContact OD2-CA 3.5Å; D118-N120 VanDerWaalsContact OD2-CB 3.28Å; D118-N120 WeakPolarHBondContact OD2-CB 3.33Å; D118-N120 PolarHBondContact OD2-N 2.87Å; D118-E121 HydrophobicContact CB-CB 4.05Å; D118-E121 PolarHBondContact O-N 2.92Å; D118-E121 PolarHBondContact OD2-N 3.49Å; D118-I122 VanDerWaalsContact O-CG1 3.26Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 3.37Å
119W88.5Confident90.4Very high77 Ų7768 Ų6829%0.29235%0.345SS..Hα-helixtrans-61.7-39-177.8178.9-112.7000112.7L46 I63 V65 E121 I122 V123L46-W119 HydrophobicContact CD1-CD2 4.38Å; L46-W119 HydrophobicContact CD1-CE3 3.82Å; L46-W119 HydrophobicContact CD1-CZ3 3.94Å; L46-W119 HydrophobicContact CD2-CB 4.24Å; L46-W119 HydrophobicContact CD2-CD2 3.56Å; L46-W119 HydrophobicContact CD2-CE3 3.88Å; L46-W119 HydrophobicContact CD2-CG 3.73Å; L46-W119 HydrophobicContact CD2-CZ2 4.5Å; L46-W119 HydrophobicContact CD2-CZ3 4.46Å; I63-W119 HydrophobicContact CD1-CH2 4.21Å; I63-W119 HydrophobicContact CD1-CZ3 3.72Å; V65-W119 HydrophobicContact CG1-CH2 4.2Å; V65-W119 HydrophobicContact CG2-CH2 3.97Å; V65-W119 HydrophobicContact CG2-CZ3 4.24Å; W119-E121 VanDerWaalsContact C-N 3.33Å; W119-E121 PolarHBondContact O-N 3.18Å; W119-I122 PolarHBondContact O-N 3.05Å; W119-V123 HydrophobicContact CD2-CG2 3.94Å; W119-V123 VanDerWaalsContact CE2-CG2 3.47Å; W119-V123 HydrophobicContact CG-CG2 4.37Å; W119-V123 HydrophobicContact CH2-CG2 4.33Å; W119-V123 HydrophobicContact CZ2-CG2 3.7Å; W119-V123 WeakPolarHBondContact O-CB 3.37Å; W119-V123 WeakPolarHBondContact O-CG2 3.42Å; W119-V123 PolarHBondContact O-N 3.36Å
120N91.1Very high89.4Confident107 Ų10769.2 Ų69.257%0.57235%0.353SS*.Hα-helixtrans-67.7-38.2-179.6-56.4-59.7000110.6D118 V123 T124D118-N120 VanDerWaalsContact C-N 3.32Å; D118-N120 PolarHBondContact O-N 3.38Å; D118-N120 WeakPolarHBondContact OD2-CA 3.5Å; D118-N120 VanDerWaalsContact OD2-CB 3.28Å; D118-N120 WeakPolarHBondContact OD2-CB 3.33Å; D118-N120 PolarHBondContact OD2-N 2.87Å; N120-V123 PolarHBondContact O-N 3Å; N120-T124 VanDerWaalsContact O-CB 3.25Å; N120-T124 WeakPolarHBondContact O-CB 3.11Å; N120-T124 PolarHBondContact O-N 3.25Å; N120-T124 PolarHBondContact O-OG1 3Å
121E90.1Very high87.8Confident85 Ų8567.5 Ų67.540%0.39736%0.36SS..Hα-helixtrans-64.6-42.4173.6-166.1-174.1158.400111.8D118 W119 T124 K125D118-E121 HydrophobicContact CB-CB 4.05Å; D118-E121 PolarHBondContact O-N 2.92Å; D118-E121 PolarHBondContact OD2-N 3.49Å; W119-E121 VanDerWaalsContact C-N 3.33Å; W119-E121 PolarHBondContact O-N 3.18Å; E121-T124 PolarHBondContact O-N 3.41Å; E121-K125 HydrophobicContact CG-CD 4.48Å; E121-K125 WeakPolarHBondContact O-CB 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3.42Å; E121-K125 WeakPolarHBondContact OE1-CE 3.48Å; E121-K125 IonicContact OE1-NZ 3.57Å; E121-K125 PolarHBondContact OE1-NZ 2.9Å
122I91.4Very high85.8Confident6 Ų671.9 Ų71.93%0.03139%0.391CS..Hα-helixtrans-60.3-50.3176.3-65168.2000110.2V74 I76 I109 D118 W119 T124 K125 V126V74-I122 HydrophobicContact CG1-CG2 4.36Å; V74-I122 HydrophobicContact CG2-CG2 4.21Å; I76-I122 HydrophobicContact CD1-CD1 4.44Å; I109-I122 HydrophobicContact CD1-CB 4.32Å; I109-I122 HydrophobicContact CD1-CD1 4.43Å; I109-I122 HydrophobicContact CD1-CG1 3.63Å; I109-I122 HydrophobicContact CD1-CG2 4.23Å; D118-I122 VanDerWaalsContact O-CG1 3.26Å; D118-I122 WeakPolarHBondContact O-CG1 3.49Å; D118-I122 PolarHBondContact O-N 3.37Å; W119-I122 PolarHBondContact O-N 3.05Å; I122-T124 PolarHBondContact O-N 2.84Å; I122-K125 PolarHBondContact O-N 3.44Å; I122-V126 WeakPolarHBondContact O-CG2 3.46Å; I122-V126 PolarHBondContact O-N 3.48Å
123V91.3Very high83.9Confident16 Ų1668.7 Ų68.710%0.09739%0.388CS..Hα-helixtrans-61.7-43.9178.7170.20000111.1V65 V67 W119 N120 K125 V126 Q127V65-V123 HydrophobicContact CG1-CG2 4.31Å; V67-V123 HydrophobicContact CB-CG1 4.11Å; V67-V123 HydrophobicContact CG1-CG1 3.78Å; V67-V123 HydrophobicContact CG2-CG1 3.86Å; V67-V123 HydrophobicContact CG2-CG2 3.97Å; W119-V123 HydrophobicContact CD2-CG2 3.94Å; W119-V123 VanDerWaalsContact CE2-CG2 3.47Å; W119-V123 HydrophobicContact CG-CG2 4.37Å; W119-V123 HydrophobicContact CH2-CG2 4.33Å; W119-V123 HydrophobicContact CZ2-CG2 3.7Å; W119-V123 WeakPolarHBondContact O-CB 3.37Å; W119-V123 WeakPolarHBondContact O-CG2 3.42Å; W119-V123 PolarHBondContact O-N 3.36Å; N120-V123 PolarHBondContact O-N 3Å; V123-K125 PolarHBondContact O-N 3.45Å; V123-V126 WeakPolarHBondContact O-CB 3.46Å; V123-V126 PolarHBondContact O-N 3.4Å; V123-V126 VanDerWaalsContact O-N 3.15Å; V123-Q127 HydrophobicContact CG1-CG 4.22Å; V123-Q127 WeakPolarHBondContact O-CB 3.47Å; V123-Q127 WeakPolarHBondContact O-CG 3.25Å; V123-Q127 PolarHBondContact O-N 2.85Å
124T89.8Confident81.6Confident67 Ų6771.1 Ų71.141%0.41141%0.405SS..Hα-helixtrans-60.6-44.5177.6-58.80000111N120 E121 I122 V126 Q127 N128N120-T124 VanDerWaalsContact O-CB 3.25Å; N120-T124 WeakPolarHBondContact O-CB 3.11Å; N120-T124 PolarHBondContact O-N 3.25Å; N120-T124 PolarHBondContact O-OG1 3Å; E121-T124 PolarHBondContact O-N 3.41Å; I122-T124 PolarHBondContact O-N 2.84Å; T124-V126 VanDerWaalsContact C-N 3.32Å; T124-V126 PolarHBondContact O-N 2.86Å; T124-Q127 PolarHBondContact O-N 3.1Å; T124-N128 WeakPolarHBondContact O-CB 3.29Å; T124-N128 PolarHBondContact O-N 3.08Å; T124-N128 PolarHBondContact O-ND2 3.15Å
125K89.9Confident79.6Confident81 Ų8171 Ų7135%0.35240%0.404SS..Hα-helixtrans-59.4-42.7174.6-76.9174.5-177.9166.10111.7E121 I122 V123 L129E121-K125 HydrophobicContact CG-CD 4.48Å; E121-K125 WeakPolarHBondContact O-CB 3.29Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3.42Å; E121-K125 WeakPolarHBondContact OE1-CE 3.48Å; E121-K125 IonicContact OE1-NZ 3.57Å; E121-K125 PolarHBondContact OE1-NZ 2.9Å; I122-K125 PolarHBondContact O-N 3.44Å; V123-K125 PolarHBondContact O-N 3.45Å; K125-L129 PolarHBondContact O-N 3.3Å
126V90Very high77.7Confident1 Ų172.6 Ų72.61%0.00641%0.41CS..Hα-helixtrans-66.7-41.1177.8170.50000112.1V65 V68 K72 V74 V107 I122 V123 T124 L129 T130V65-V126 HydrophobicContact CB-CG1 4.5Å; V65-V126 HydrophobicContact CG1-CG1 4.2Å; V68-V126 HydrophobicContact CG2-CG1 4.29Å; K72-V126 HydrophobicContact CB-CG1 3.47Å; K72-V126 VanDerWaalsContact CB-CG1 3.47Å; K72-V126 HydrophobicContact CG-CG1 3.68Å; V74-V126 HydrophobicContact CG2-CG2 3.47Å; V74-V126 VanDerWaalsContact CG2-CG2 3.47Å; V107-V126 HydrophobicContact CG2-CG2 3.93Å; I122-V126 WeakPolarHBondContact O-CG2 3.46Å; I122-V126 PolarHBondContact O-N 3.48Å; V123-V126 WeakPolarHBondContact O-CB 3.46Å; V123-V126 PolarHBondContact O-N 3.4Å; V123-V126 VanDerWaalsContact O-N 3.15Å; T124-V126 VanDerWaalsContact C-N 3.32Å; T124-V126 PolarHBondContact O-N 2.86Å; V126-L129 PolarHBondContact O-N 3.4Å; V126-T130 PolarHBondContact O-OG1 3.27Å
127Q87.4Confident75.7Confident70 Ų7076.8 Ų76.833%0.32743%0.427SS..Hα-helixtrans-66.4-41.3178.2-76.1178.4-24.200112V67 V68 V123 T124 L129 T130V67-Q127 HydrophobicContact CG1-CG 4.3Å; V68-Q127 HydrophobicContact CG1-CG 4.14Å; V123-Q127 HydrophobicContact CG1-CG 4.22Å; V123-Q127 WeakPolarHBondContact O-CB 3.47Å; V123-Q127 WeakPolarHBondContact O-CG 3.25Å; V123-Q127 PolarHBondContact O-N 2.85Å; T124-Q127 PolarHBondContact O-N 3.1Å; Q127-L129 PolarHBondContact O-N 2.64Å; Q127-T130 WeakPolarHBondContact O-CB 3.46Å; Q127-T130 PolarHBondContact O-N 2.98Å
128N86Confident73.6Confident93 Ų9381.4 Ų81.450%0.49746%0.458SS..Hα-helixtrans-59.3-32.5176.8-71-15.2000112.4T124 T130 V133T124-N128 WeakPolarHBondContact O-CB 3.29Å; T124-N128 PolarHBondContact O-N 3.08Å; T124-N128 PolarHBondContact O-ND2 3.15Å; N128-T130 VanDerWaalsContact C-N 3.28Å; N128-T130 PolarHBondContact O-N 3.13Å; N128-V133 WeakPolarHBondContact OD1-CG2 3.31Å
129L81.3Confident71.3Confident105 Ų10584.4 Ų84.455%0.5548%0.48SS..THydrogen-bonded Turntrans-71.5-19.6174.4-67.6-174.7000114.1H106 V107 K125 V126 Q127 G131H106-L129 HydrophobicContact CB-CD1 4.48Å; H106-L129 WeakPolarHBondContact O-CD1 3.31Å; V107-L129 HydrophobicContact CG2-CD1 3.35Å; V107-L129 HydrophobicContact CG2-CG 4.39Å; K125-L129 PolarHBondContact O-N 3.3Å; V126-L129 PolarHBondContact O-N 3.4Å; Q127-L129 PolarHBondContact O-N 2.64Å; L129-G131 PolarHBondContact O-N 2.89Å
130T73.5Confident69.2Low38 Ų3887.7 Ų87.723%0.23350%0.503CS..THydrogen-bonded Turntrans-81.1-4.9-174.6-57.40000111.9V68 V126 Q127 N128 S132V68-T130 HydrophobicContact CB-CG2 4.08Å; V68-T130 HydrophobicContact CG1-CG2 4.15Å; V68-T130 HydrophobicContact CG2-CG2 4.34Å; V68-T130 WeakPolarHBondContact CG2-OG1 3.33Å; V126-T130 PolarHBondContact O-OG1 3.27Å; Q127-T130 WeakPolarHBondContact O-CB 3.46Å; Q127-T130 PolarHBondContact O-N 2.98Å; N128-T130 VanDerWaalsContact C-N 3.28Å; N128-T130 PolarHBondContact O-N 3.13Å; T130-S132 PolarHBondContact O-N 3.25Å; T130-S132 VanDerWaalsContact O-N 3.14Å
131G63Low67.3Low67 Ų6786.5 Ų86.569%0.69150%0.503SS*.SBendtrans74.6-4.9174.400000114.7L129L129-G131 PolarHBondContact O-N 2.89Å
132S53.5Low65.3Low93 Ų9389.8 Ų89.865%0.6552%0.523SS*.  trans-85.1-6.9-179.4-52.20000114.4T130 S134T130-S132 PolarHBondContact O-N 3.25Å; T130-S132 VanDerWaalsContact O-N 3.14Å; S132-S134 PolarHBondContact O-N 3.4Å
133V51.9Low63.3Low87 Ų8795.7 Ų95.753%0.52756%0.555SS.*  trans-74.287.5173.5-1780000107.2N128 H135N128-V133 WeakPolarHBondContact OD1-CG2 3.31Å; V133-H135 PolarHBondContact O-N 3.29Å
134S43.7Very low61.6Low95 Ų95100.5 Ų100.566%0.66458%0.584SS**  trans-50.1123.8168.6-56.20000107.4S132 T136S132-S134 PolarHBondContact O-N 3.4Å; S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 3.38Å
135H47.8Very low59.7Low161 Ų161105.4 Ų105.475%0.74561%0.608SS**  trans-52.197.5168.7-174.873.1000107.5V133 Q137V133-H135 PolarHBondContact O-N 3.29Å; H135-Q137 VanDerWaalsContact C-N 3.29Å; H135-Q137 PolarHBondContact O-N 3.44Å
136T48Very low58.1Low124 Ų124108 Ų10876%0.76163%0.626SS**  trans-68.3100.5169.550.30000104.4S134S134-T136 VanDerWaalsContact C-N 3.27Å; S134-T136 PolarHBondContact O-N 3.38Å
137Q48.3Very low56.3Low155 Ų155116.4 Ų116.472%0.72467%0.665SS**PPolyproline II helixtrans-49.3128.9169.6-89.6-166.2-17.100107.5H135 T139H135-Q137 VanDerWaalsContact C-N 3.29Å; H135-Q137 PolarHBondContact O-N 3.44Å; Q137-T139 PolarHBondContact O-N 3.12Å
138P47.6Very low54.7Low109 Ų109122.8 Ų122.871%0.70869%0.692SS**PPolyproline II helixtrans-50.2128.2170.2-22.331.9000107.9N140P138-N140 PolarHBondContact O-N 3.18Å; P138-N140 VanDerWaalsContact O-N 3.1Å
139T43Very low53.5Low136 Ų136123.6 Ų123.683%0.83470%0.7SS**PPolyproline II helixtrans-48.2122.2177.547.90000109.6Q137 S141Q137-T139 PolarHBondContact O-N 3.12Å; T139-S141 PolarHBondContact O-N 2.95Å
140N44.6Very low52.8Low145 Ų145120.4 Ų120.478%0.77569%0.686SS**  trans-42.191.7-177.1-150.610.4000112.1P138P138-N140 PolarHBondContact O-N 3.18Å; P138-N140 VanDerWaalsContact O-N 3.1Å
141S50.3Low52.1Low83 Ų83125 Ų12558%0.5871%0.714SS**  trans-79.5121.7156.460.10000105.8T139 N143T139-S141 PolarHBondContact O-N 2.95Å; S141-N143 PolarHBondContact O-N 3.46Å
142N48.1Very low52.3Low153 Ų153123 Ų12382%0.81869%0.693SS**  trans-51.464.6-176.7-63.7-29.8000114.9
143N51.3Low52.8Low131 Ų131122.1 Ų122.170%0.70169%0.687SS**  trans-107128.6172.8-73.8-25.1000107.5S141S141-N143 PolarHBondContact O-N 3.46Å
144T54.9Low53.5Low117 Ų117124.7 Ų124.772%0.71870%0.703SS**  trans-42.7146.2-176.444.50000113.8D146T144-D146 PolarHBondContact O-N 2.82Å
145D49.6Very low54.8Low170 Ų170127.7 Ų127.791%0.90970%0.701SS**  trans-58.360-176.7-60.2-50.9000114.7E147D145-E147 PolarHBondContact O-N 2.94Å; D145-E147 VanDerWaalsContact O-N 3.12Å
146D55.7Low55.8Low135 Ų135125.5 Ų125.572%0.72270%0.698SS**  trans-72103.2163.7-72.1-29.2000106.8T144 F148T144-D146 PolarHBondContact O-N 2.82Å; D146-F148 PolarHBondContact O-N 2.8Å; D146-F148 VanDerWaalsContact O-N 3.13Å
147E52.7Low57Low177 Ų177127.7 Ų127.783%0.82769%0.693SS**  trans-45.2122.7168.1-83.7-176.6139.500108.6D145 V149D145-E147 PolarHBondContact O-N 2.94Å; D145-E147 VanDerWaalsContact O-N 3.12Å; E147-V149 VanDerWaalsContact C-N 3.28Å; E147-V149 PolarHBondContact O-N 3.46Å
148F55Low58.2Low205 Ų205123.5 Ų123.590%0.89968%0.684SS**  trans-61.889178.7-88.3-96.4000110.1D146D146-F148 PolarHBondContact O-N 2.8Å; D146-F148 VanDerWaalsContact O-N 3.13Å
149V60.7Low59.7Low109 Ų109121.2 Ų121.266%0.66167%0.666SS**  trans-79.4135.2164.9-172.40000107.1E147 T151E147-V149 VanDerWaalsContact C-N 3.28Å; E147-V149 PolarHBondContact O-N 3.46Å; V149-T151 PolarHBondContact O-N 3.47Å
150P65.6Low61.2Low39 Ų39118.5 Ų118.525%0.25365%0.651SS.*  trans-53.4128.3172.4-19.328.7000109.2G152 Y458P150-G152 VanDerWaalsContact C-N 3.3Å; P150-G152 PolarHBondContact O-N 2.76Å; P150-Y458 HydrophobicContact CG-CD1 4.42Å; P150-Y458 HydrophobicContact CG-CD2 3.88Å; P150-Y458 HydrophobicContact CG-CE1 3.99Å; P150-Y458 HydrophobicContact CG-CE2 3.4Å; P150-Y458 HydrophobicContact CG-CG 4.37Å; P150-Y458 VanDerWaalsContact CG-CZ 3.45Å
151T59.4Low62.5Low133 Ų133118.8 Ų118.882%0.81665%0.653SS**  trans-65.398.9167.4-47.30000106.6V149V149-T151 PolarHBondContact O-N 3.47Å
152G67.4Low63.6Low25 Ų25123.2 Ų123.226%0.25866%0.661SS.*  trans-52.9145.3173.200000109.6P150 V154P150-G152 VanDerWaalsContact C-N 3.3Å; P150-G152 PolarHBondContact O-N 2.76Å; G152-V154 PolarHBondContact O-N 3.16Å; G152-V154 VanDerWaalsContact O-N 3.08Å
153S63.1Low64.9Low75 Ų75120.5 Ų120.552%0.52465%0.647SS.*  trans-59.4116.6172.549.40000108.7Y155S153-Y155 PolarHBondContact O-N 2.91Å
154V67.1Low65.8Low142 Ų142118.2 Ų118.286%0.86163%0.634SS**  trans-72.826.8171.6-166.10000110.7G152G152-V154 PolarHBondContact O-N 3.16Å; G152-V154 VanDerWaalsContact O-N 3.08Å
155Y70.6Confident66.3Low158 Ų158116.4 Ų116.462%0.6262%0.624SS**  trans-86.9120.2176.6-177.7-97.7000108.4S153 R157S153-Y155 PolarHBondContact O-N 2.91Å; Y155-R157 HydrophobicContact CE1-CB 4.32Å
156V69.6Low67Low115 Ų115118.6 Ų118.670%0.69763%0.625SS**  trans-114.4130.1166.4-178.10000106.3A158V156-A158 PolarHBondContact O-N 3.31Å
157R72.7Confident67.4Low169 Ų169114.2 Ų114.264%0.63861%0.612SS**  trans-60.6128.6174.5-176.6-179.8-163166.58.4108.7Y155 N159Y155-R157 HydrophobicContact CE1-CB 4.32Å; R157-N159 PolarHBondContact O-N 3.25Å
158A74.4Confident67.6Low67 Ų67109.5 Ų109.555%0.55460%0.598SS**  trans-60.9127.4170.400000108.8V156 P160 D163V156-A158 PolarHBondContact O-N 3.31Å; A158-P160 WeakPolarHBondContact O-CD 3.43Å; A158-D163 WeakPolarHBondContact CA-OD2 3.42Å
159N77.7Confident67.6Low61 Ų61105 Ų10533%0.32659%0.587SS.*  trans-107.596.6175.1-176.5-20.4000107.6R157 N161 K162 D163R157-N159 PolarHBondContact O-N 3.25Å; N159-N161 PolarHBondContact O-N 3.1Å; N159-N161 PolarHBondContact OD1-N 2.81Å; N159-K162 HydrophobicContact CB-CB 3.97Å; N159-K162 PolarHBondContact O-N 2.81Å; N159-D163 PolarHBondContact N-OD2 2.89Å; N159-D163 WeakPolarHBondContact O-CB 3.48Å; N159-D163 VanDerWaalsContact O-CG 3.23Å; N159-D163 PolarHBondContact O-N 2.56Å
160P74.3Confident67.2Low80 Ų80103 Ų10352%0.51958%0.578SS.*Hα-helixtrans-55.7-30.3-174.7-25.634.4000113.4A158 K162 I164A158-P160 WeakPolarHBondContact O-CD 3.43Å; P160-K162 VanDerWaalsContact C-N 3.31Å; P160-I164 HydrophobicContact CB-CD1 4.17Å; P160-I164 VanDerWaalsContact O-CB 3.29Å; P160-I164 WeakPolarHBondContact O-CB 3.33Å; P160-I164 WeakPolarHBondContact O-CD1 3.44Å; P160-I164 WeakPolarHBondContact O-CG1 3.32Å; P160-I164 PolarHBondContact O-N 2.99Å
161N73.5Confident66.6Low150 Ų150110.2 Ų110.280%0.80260%0.6SS**Hα-helixtrans-73.6-24.1179.4-64.1-41.6000113N159N159-N161 PolarHBondContact O-N 3.1Å; N159-N161 PolarHBondContact OD1-N 2.81Å
162K73Confident66.7Low176 Ų176107.8 Ų107.877%0.76559%0.589SS**Hα-helixtrans-98.6-36.7179.8-155.6179.5-178.2-177.80111.7N159 P160N159-K162 HydrophobicContact CB-CB 3.97Å; N159-K162 PolarHBondContact O-N 2.81Å; P160-K162 VanDerWaalsContact C-N 3.31Å
163D75.7Confident66.3Low96 Ų96112.3 Ų112.351%0.51361%0.606SS.*Hα-helixtrans-82.6-27.6-173.2-61.6-22.8000113.1A158 N159 P165A158-D163 WeakPolarHBondContact CA-OD2 3.42Å; N159-D163 PolarHBondContact N-OD2 2.89Å; N159-D163 WeakPolarHBondContact O-CB 3.48Å; N159-D163 VanDerWaalsContact O-CG 3.23Å; N159-D163 PolarHBondContact O-N 2.56Å; D163-P165 VanDerWaalsContact O-CD 3.3Å; D163-P165 WeakPolarHBondContact O-CD 3.46Å
164I68.4Low65.7Low84 Ų84117.7 Ų117.743%0.43162%0.615SS.*SBendtrans-86.3113.8177-57.9171.9000108.1P160 K166 C168 V169P160-I164 HydrophobicContact CB-CD1 4.17Å; P160-I164 VanDerWaalsContact O-CB 3.29Å; P160-I164 WeakPolarHBondContact O-CB 3.33Å; P160-I164 WeakPolarHBondContact O-CD1 3.44Å; P160-I164 WeakPolarHBondContact O-CG1 3.32Å; P160-I164 PolarHBondContact O-N 2.99Å; I164-K166 PolarHBondContact O-N 2.74Å; I164-C168 HydrophobicContact CG2-CB 4.23Å; I164-V169 HydrophobicContact CG2-CG2 3.98Å
165P67.2Low65.4Low79 Ų79115.8 Ų115.851%0.51360%0.596SS.*  trans-57.4132.9177.9-2131.7000110.4D163 G167 C168D163-P165 VanDerWaalsContact O-CD 3.3Å; D163-P165 WeakPolarHBondContact O-CD 3.46Å; P165-G167 PolarHBondContact O-N 2.85Å; P165-C168 PolarHBondContact O-N 3.5Å
166K64.4Low64.9Low215 Ų215110.9 Ų110.994%0.93559%0.585SS**THydrogen-bonded Turntrans-58.2100.2171.2-64.8-178.8-176.9177.30108.1I164I164-K166 PolarHBondContact O-N 2.74Å
167G63Low64.4Low43 Ų43111.3 Ų111.344%0.44358%0.579SS.*THydrogen-bonded Turntrans129.7-18.7-174.900000115.1P165 V169 S170P165-G167 PolarHBondContact O-N 2.85Å; G167-V169 PolarHBondContact O-N 3.27Å; G167-S170 WeakPolarHBondContact O-CB 3.26Å; G167-S170 PolarHBondContact O-N 2.98Å; G167-S170 PolarHBondContact O-OG 2.9Å
168C57.2Low63.7Low78 Ų78110 Ų11053%0.52758%0.581SS.*THydrogen-bonded Turntrans-68.1-25.6171.8-78.80000112.2I164 P165 S170I164-C168 HydrophobicContact CG2-CB 4.23Å; P165-C168 PolarHBondContact O-N 3.5Å; C168-S170 PolarHBondContact O-N 3.37Å
169V54.3Low63Low111 Ų111113.3 Ų113.367%0.67359%0.585SS**THydrogen-bonded Turntrans-90.225.5169.7-153.90000111.3I164 G167 R171I164-V169 HydrophobicContact CG2-CG2 3.98Å; G167-V169 PolarHBondContact O-N 3.27Å; V169-R171 PolarHBondContact O-N 3.48Å; V169-R171 VanDerWaalsContact O-N 3.07Å
170S53Low62.1Low67 Ų67116.9 Ų116.947%0.46960%0.597SS.*  trans-59.9119.7169.1-67.70000107.9G167 C168 S172 I173G167-S170 WeakPolarHBondContact O-CB 3.26Å; G167-S170 PolarHBondContact O-N 2.98Å; G167-S170 PolarHBondContact O-OG 2.9Å; C168-S170 PolarHBondContact O-N 3.37Å; S170-S172 PolarHBondContact O-N 3.27Å; S170-I173 PolarHBondContact O-N 3.41Å
171R52.4Low61.2Low190 Ų190120.1 Ų120.172%0.71761%0.606SS**THydrogen-bonded Turntrans-44.3-16.3-177.3-145.9179.5-83.6161.2-8.6115V169 I173 W174 Q175V169-R171 PolarHBondContact O-N 3.48Å; V169-R171 VanDerWaalsContact O-N 3.07Å; R171-I173 PolarHBondContact O-N 2.89Å; R171-W174 PolarHBondContact O-N 3.02Å; R171-Q175 HydrophobicContact CG-CG 4.34Å; R171-Q175 WeakPolarHBondContact O-CB 3.28Å; R171-Q175 PolarHBondContact O-N 3.18Å; R171-Q175 PolarHBondContact O-OE1 3.28Å
172S61Low60.1Low83 Ų83118.4 Ų118.458%0.5860%0.596SS**Hα-helixtrans-52-42.3177.8-175.20000114.6S170 Q175 S176S170-S172 PolarHBondContact O-N 3.27Å; S172-Q175 PolarHBondContact O-N 2.67Å; S172-S176 WeakPolarHBondContact O-CB 3.41Å; S172-S176 PolarHBondContact O-N 3.25Å
173I59Low59.2Low119 Ų119115 Ų11561%0.6159%0.586SS**Hα-helixtrans-66.9-45-177-61.2171.2000110.7S170 R171S170-I173 PolarHBondContact O-N 3.41Å; R171-I173 PolarHBondContact O-N 2.89Å
174W51.6Low57.9Low189 Ų189114.8 Ų114.872%0.71659%0.592SS**Hα-helixtrans-71.9-37.3179.2-70.197000112.5R171 Q177 Q178R171-W174 PolarHBondContact O-N 3.02Å; W174-Q177 PolarHBondContact O-N 2.78Å; W174-Q178 PolarHBondContact O-N 2.86Å
175Q60.1Low57.1Low102 Ų102114.2 Ų114.248%0.47760%0.596SS.*Hα-helixtrans-71.9-38.9-179.2-83.2168.4-36.100113.3R171 S172 Q177 Q178 E179R171-Q175 HydrophobicContact CG-CG 4.34Å; R171-Q175 WeakPolarHBondContact O-CB 3.28Å; R171-Q175 PolarHBondContact O-N 3.18Å; R171-Q175 PolarHBondContact O-OE1 3.28Å; S172-Q175 PolarHBondContact O-N 2.67Å; Q175-Q177 PolarHBondContact O-N 2.65Å; Q175-Q178 WeakPolarHBondContact O-CB 3.46Å; Q175-Q178 PolarHBondContact O-N 3.31Å; Q175-E179 PolarHBondContact O-N 2.83Å
176S61.6Low56.5Low55 Ų55118.8 Ų118.839%0.38561%0.608SS.*Hα-helixtrans-62.5-29.5177.5-168.30000112.2S172 K180S172-S176 WeakPolarHBondContact O-CB 3.41Å; S172-S176 PolarHBondContact O-N 3.25Å; S176-K180 WeakPolarHBondContact O-CG 3.49Å; S176-K180 PolarHBondContact O-N 3.01Å
177Q57.7Low55.5Low123 Ų123116.1 Ų116.158%0.57560%0.603SS**Hα-helixtrans-73.1-33.4176.4-149.416014.800112.1W174 Q175W174-Q177 PolarHBondContact O-N 2.78Å; Q175-Q177 PolarHBondContact O-N 2.65Å
178Q58.7Low54.4Low143 Ų143124.8 Ų124.867%0.66862%0.622SS**Hα-helixtrans-75-38.5176.4-137.4168.569.900111.8W174 Q175 Q181 N182W174-Q178 PolarHBondContact O-N 2.86Å; Q175-Q178 WeakPolarHBondContact O-CB 3.46Å; Q175-Q178 PolarHBondContact O-N 3.31Å; Q178-Q181 PolarHBondContact O-N 2.72Å; Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 VanDerWaalsContact O-N 3.1Å
179E60.1Low53.5Low136 Ų136125.5 Ų125.564%0.63663%0.628SS**Hα-helixtrans-68.5-37.5179.7-151.3165.8-140.900112Q175 Q181 N182 D183Q175-E179 PolarHBondContact O-N 2.83Å; E179-Q181 VanDerWaalsContact C-N 3.27Å; E179-Q181 PolarHBondContact O-N 3.18Å; E179-N182 PolarHBondContact O-N 2.86Å; E179-N182 VanDerWaalsContact O-N 3.11Å; E179-D183 PolarHBondContact O-N 2.82Å
180K58.1Low53.2Low135 Ų135126.5 Ų126.559%0.58764%0.637SS**Hα-helixtrans-61.8-32.1172.4-78.1-179.5178.71800113.6S176 S184S176-K180 WeakPolarHBondContact O-CG 3.49Å; S176-K180 PolarHBondContact O-N 3.01Å; K180-S184 PolarHBondContact O-OG 3.2Å
181Q55.6Low52.8Low149 Ų149129.6 Ų129.670%0.69665%0.653SS**Hα-helixtrans-72.8-39.8173.3-70.2-170.9900111.3Q178 E179Q178-Q181 PolarHBondContact O-N 2.72Å; E179-Q181 VanDerWaalsContact C-N 3.27Å; E179-Q181 PolarHBondContact O-N 3.18Å
182N49.4Very low52.1Low113 Ų113129.8 Ų129.860%0.60466%0.659SS**Hα-helixtrans-70.7-40.6179.7-106.1-0.7000113.4Q178 E179 S184 S185Q178-N182 PolarHBondContact O-N 2.97Å; Q178-N182 VanDerWaalsContact O-N 3.1Å; E179-N182 PolarHBondContact O-N 2.86Å; E179-N182 VanDerWaalsContact O-N 3.11Å; N182-S184 VanDerWaalsContact C-N 3.31Å; N182-S184 PolarHBondContact O-N 3.22Å; N182-S185 WeakPolarHBondContact O-CB 3.42Å; N182-S185 PolarHBondContact O-N 3.01Å; N182-S185 PolarHBondContact O-OG 3.41Å
183D54.2Low50.8Low105 Ų105135.3 Ų135.356%0.56167%0.672SS**Hα-helixtrans-68.5-32.3-179.2-117.50.6000112.4E179 S185 K186E179-D183 PolarHBondContact O-N 2.82Å; D183-S185 PolarHBondContact O-N 3.48Å; D183-S185 VanDerWaalsContact O-N 3.12Å; D183-K186 PolarHBondContact O-N 2.86Å; D183-K186 VanDerWaalsContact O-N 3.13Å
184S49.7Very low49.9Very low91 Ų91135.6 Ų135.664%0.63668%0.682SS**Hα-helixtrans-61.2-20.5172.2-57.60000112.7K180 N182K180-S184 PolarHBondContact O-OG 3.2Å; N182-S184 VanDerWaalsContact C-N 3.31Å; N182-S184 PolarHBondContact O-N 3.22Å
185S51.8Low49.3Very low73 Ų73133.6 Ų133.651%0.5169%0.69SS.*Hα-helixtrans-86.6-20.1177.576.90000114.3N182 D183N182-S185 WeakPolarHBondContact O-CB 3.42Å; N182-S185 PolarHBondContact O-N 3.01Å; N182-S185 PolarHBondContact O-OG 3.41Å; D183-S185 PolarHBondContact O-N 3.48Å; D183-S185 VanDerWaalsContact O-N 3.12Å
186K52.7Low48.3Very low175 Ų175131.8 Ų131.876%0.76170%0.699SS**Hα-helixtrans-85.6-16.4-175.9-78.9-176.9179.71740115.1D183D183-K186 PolarHBondContact O-N 2.86Å; D183-K186 VanDerWaalsContact O-N 3.13Å
187L45.2Very low47.3Very low158 Ų158138.2 Ų138.283%0.82772%0.72SS**THydrogen-bonded Turntrans-89.16.9-178.3-75169.4000114.8S189L187-S189 PolarHBondContact O-N 2.79Å
188R38.6Very low46.4Very low225 Ų225138.4 Ų138.485%0.84973%0.729SS**  trans-83.197.1176.3-79.5-175.7173.3-127-1.4110.9
189S37.7Very low45.1Very low94 Ų94141.9 Ų141.966%0.65774%0.737SS**  trans-65.1147.5163.258.10000110.3L187 V191L187-S189 PolarHBondContact O-N 2.79Å; S189-V191 PolarHBondContact O-N 2.98Å
190P49.1Very low43.9Very low131 Ų131140.3 Ų140.385%0.85174%0.738SS**  trans-75103.3-169.7-9.126000110.3K192P190-K192 PolarHBondContact O-N 3.4Å
191V44Very low42.8Very low132 Ų132140 Ų14080%0.875%0.747SS**PPolyproline II helixtrans-72.3124.8171.3177.50000108.7S189 K193S189-V191 PolarHBondContact O-N 2.98Å; V191-K193 PolarHBondContact O-N 2.83Å
192K38.1Very low41.7Very low195 Ų195139 Ų13985%0.84876%0.755SS**PPolyproline II helixtrans-57.5125.9179.1-68.2178.7178.4177.80110.1P190 P194P190-K192 PolarHBondContact O-N 3.4Å; K192-P194 WeakPolarHBondContact O-CD 3.35Å
193K32.9Very low40.9Very low199 Ų199140.9 Ų140.987%0.86576%0.76SS**PPolyproline II helixtrans-62120.8179.4-60.4177.2-180-1790110.4V191V191-K193 PolarHBondContact O-N 2.83Å
194P40.9Very low40Very low124 Ų124142 Ų14281%0.80577%0.773SS**PPolyproline II helixtrans-68.3141.3162.7-12.328.1000109.4K192K192-P194 WeakPolarHBondContact O-CD 3.35Å
195V40Very low39.3Very low147 Ų147146.2 Ų146.289%0.89178%0.783SS**PPolyproline II helixtrans-66.5128.1-176.1-179.30000110.6
196G39.2Very low38.6Very low64 Ų64149 Ų14966%0.6680%0.797SS**  trans41.287.1150.900000118.2V198G196-V198 PolarHBondContact O-N 2.81Å
197F39.5Very low37.8Very low190 Ų190148.4 Ų148.483%0.83380%0.802SS**  trans-7999.8162.6-158.8-98.6000109R199F197-R199 PolarHBondContact O-N 3.26Å
198V39.5Very low37.5Very low127 Ų127147.4 Ų147.477%0.7780%0.797SS**PPolyproline II helixtrans-70.7123.1171.1178.80000107.6G196G196-V198 PolarHBondContact O-N 2.81Å
199R30Very low37.7Very low217 Ų217143.6 Ų143.682%0.81979%0.794SS**PPolyproline II helixtrans-62127.1178-69.2-175.3-164.8-146.21.1109F197 V201F197-R199 PolarHBondContact O-N 3.26Å; R199-V201 PolarHBondContact O-N 3.45Å; R199-V201 VanDerWaalsContact O-N 3.13Å
200P36.2Very low37.9Very low103 Ų103145.7 Ų145.767%0.66980%0.798SS**PPolyproline II helixtrans-62117.6171.1-15.328.5000108C202P200-C202 PolarHBondContact O-N 3.38Å
201V35.3Very low37.8Very low128 Ų128146.1 Ų146.178%0.77679%0.793SS**PPolyproline II helixtrans-68.3118.7168.1173.10000105.9R199 E203R199-V201 PolarHBondContact O-N 3.45Å; R199-V201 VanDerWaalsContact O-N 3.13Å; V201-E203 PolarHBondContact O-N 3.2Å
202C31.7Very low38.2Very low127 Ų127146 Ų14686%0.85879%0.788SS**  trans-6897.8175.9-61.10000108.6P200P200-C202 PolarHBondContact O-N 3.38Å
203E33.1Very low38.9Very low154 Ų154142 Ų14272%0.7278%0.78SS**  trans-77.7133.4162.7-69.4-171.4167.300108.6V201 E205V201-E203 PolarHBondContact O-N 3.2Å; E203-E205 PolarHBondContact O-N 2.93Å
204P34.2Very low39.9Very low128 Ų128137.9 Ų137.983%0.83177%0.767SS**  trans-74.895.7-175.628.8-31.4000109.3
205E36.2Very low40.6Very low180 Ų180135 Ų13584%0.84175%0.749SS**  trans-76.7129.2178.7-68.9-144.7161.700112.4E203 N207E203-E205 PolarHBondContact O-N 2.93Å; E205-N207 PolarHBondContact O-N 3.3Å
206T36.9Very low41.5Very low131 Ų131135.1 Ų135.180%0.80474%0.741SS**  trans-62.2113.6173.346.30000111.5N208T206-N208 PolarHBondContact O-N 2.97Å
207N35.5Very low42.4Very low162 Ų162136.8 Ų136.887%0.86673%0.734SS**  trans23.181.7131.6-155.924.9000116.5E205E205-N207 PolarHBondContact O-N 3.3Å
208N38.2Very low43.8Very low137 Ų137133.8 Ų133.873%0.73372%0.723SS**  trans-167.2152.9137.4-138.9-16.8000111T206T206-N208 PolarHBondContact O-N 2.97Å
209N43.1Very low45Very low146 Ų146131.5 Ų131.578%0.78171%0.712SS**  trans96.261.9173-48.4-21000115
210N42.9Very low46.9Very low137 Ų137127 Ų12773%0.73370%0.701SS**  trans-43.7140.2138.8-61.3-28.5000109.7
211N46.9Very low48.9Very low141 Ų141127 Ų12775%0.75470%0.695SS**SBendtrans141.310.3149.8-63.9-17.2000116.3
212N51.5Low51Low129 Ų129125.7 Ų125.769%0.6968%0.683SS**SBendtrans-130.1-15.7174.7-15013.1000117.1
213V53.1Low53.1Low111 Ų111126.8 Ų126.867%0.67368%0.677SS**Hα-helixtrans-79.7-21.1178.4-176.10000112.2
214D54.6Low55.4Low112 Ų112125.7 Ų125.760%0.59967%0.67SS**Hα-helixtrans-72-30.9-178.8-67.6-36.2000113E216 Q218D214-E216 PolarHBondContact O-N 2.66Å; D214-Q218 WeakPolarHBondContact O-CB 3.25Å; D214-Q218 PolarHBondContact O-N 2.87Å
215S55.7Low57.7Low63 Ų63125.6 Ų125.644%0.44166%0.658SS.*Hα-helixtrans-66.7-39.1-177.1-58.80000113.1S219S215-S219 PolarHBondContact O-N 2.98Å; S215-S219 VanDerWaalsContact O-N 3.11Å; S215-S219 PolarHBondContact O-OG 3.03Å
216E57.8Low60.1Low151 Ų151120.6 Ų120.671%0.70664%0.64SS**Hα-helixtrans-73.8-44179.5-68.7-172.3165.100111.5D214 Q218 S219 Q220D214-E216 PolarHBondContact O-N 2.66Å; E216-Q218 VanDerWaalsContact C-N 3.32Å; E216-Q218 PolarHBondContact O-N 3.04Å; E216-S219 PolarHBondContact O-N 3.34Å; E216-Q220 PolarHBondContact O-N 2.98Å; E216-Q220 VanDerWaalsContact O-N 3.09Å
217N57.9Low62.4Low99 Ų99116.8 Ų116.853%0.52962%0.622SS.*Hα-helixtrans-64.9-36.2176-96.7-24.7000112.2Q220 N221N217-Q220 PolarHBondContact O-N 2.84Å; N217-N221 PolarHBondContact O-N 2.82Å
218Q70.5Confident64.6Low127 Ų127115.3 Ų115.359%0.59361%0.61SS**Hα-helixtrans-65.7-41.7175.4-169.5171.128.100111.2D214 E216 Q220 N221 I222D214-Q218 WeakPolarHBondContact O-CB 3.25Å; D214-Q218 PolarHBondContact O-N 2.87Å; E216-Q218 VanDerWaalsContact C-N 3.32Å; E216-Q218 PolarHBondContact O-N 3.04Å; Q218-Q220 PolarHBondContact O-N 2.86Å; Q218-N221 PolarHBondContact O-N 2.87Å; Q218-I222 HydrophobicContact CG-CD1 4.06Å; Q218-I222 VanDerWaalsContact O-CG1 3.26Å; Q218-I222 WeakPolarHBondContact O-CG1 3.34Å; Q218-I222 PolarHBondContact O-N 3.16Å
219S64.9Low66.9Low78 Ų78112.8 Ų112.855%0.54560%0.596SS.*Hα-helixtrans-62.2-42.2176.6-64.90000112.3S215 E216 I222 M223S215-S219 PolarHBondContact O-N 2.98Å; S215-S219 VanDerWaalsContact O-N 3.11Å; S215-S219 PolarHBondContact O-OG 3.03Å; E216-S219 PolarHBondContact O-N 3.34Å; S219-I222 PolarHBondContact O-N 2.78Å; S219-M223 PolarHBondContact O-N 3.26Å; S219-M223 VanDerWaalsContact O-N 3.15Å
220Q69.2Low69.1Low123 Ų123111.6 Ų111.658%0.57559%0.586SS**Hα-helixtrans-66.8-38.6176-68.3-148.111.300113E216 N217 Q218 M223 K224E216-Q220 PolarHBondContact O-N 2.98Å; E216-Q220 VanDerWaalsContact O-N 3.09Å; N217-Q220 PolarHBondContact O-N 2.84Å; Q218-Q220 PolarHBondContact O-N 2.86Å; Q220-M223 PolarHBondContact O-N 2.92Å; Q220-K224 PolarHBondContact O-N 3.11Å; Q220-K224 VanDerWaalsContact O-N 3.09Å
221N77.8Confident71.2Confident104 Ų104109.2 Ų109.256%0.55658%0.576SS**Hα-helixtrans-67.2-38.2177.4-90.8-22.6000112.6N217 Q218 M223 K224 Q225N217-N221 PolarHBondContact O-N 2.82Å; Q218-N221 PolarHBondContact O-N 2.87Å; N221-M223 VanDerWaalsContact C-N 3.34Å; N221-K224 PolarHBondContact O-N 3.17Å; N221-Q225 PolarHBondContact O-N 3.46Å
222I79.1Confident73.2Confident99 Ų99105.1 Ų105.151%0.50856%0.556SS.*Hα-helixtrans-61.7-45174.5-68.6164.4000110.1Q218 S219 K224 Q225 V226Q218-I222 HydrophobicContact CG-CD1 4.06Å; Q218-I222 VanDerWaalsContact O-CG1 3.26Å; Q218-I222 WeakPolarHBondContact O-CG1 3.34Å; Q218-I222 PolarHBondContact O-N 3.16Å; S219-I222 PolarHBondContact O-N 2.78Å; I222-K224 PolarHBondContact O-N 3.45Å; I222-Q225 PolarHBondContact O-N 2.98Å; I222-V226 HydrophobicContact CG2-CG2 4.36Å; I222-V226 WeakPolarHBondContact O-CG2 3.13Å; I222-V226 PolarHBondContact O-N 2.85Å
223M76.6Confident75Confident150 Ų150103 Ų10374%0.73955%0.545SS*.Hα-helixtrans-63-41.3-179.4-155.3173.8-153.400112.4S219 Q220 N221 V226 A227S219-M223 PolarHBondContact O-N 3.26Å; S219-M223 VanDerWaalsContact O-N 3.15Å; Q220-M223 PolarHBondContact O-N 2.92Å; N221-M223 VanDerWaalsContact C-N 3.34Å; M223-V226 PolarHBondContact O-N 2.89Å; M223-A227 PolarHBondContact O-N 3.45Å
224K81.5Confident76.8Confident132 Ų132102.1 Ų102.157%0.57454%0.54SS*.Hα-helixtrans-62.4-42.6173.8-73.7177.2-178.2172.50111.9Q220 N221 I222 Q228Q220-K224 PolarHBondContact O-N 3.11Å; Q220-K224 VanDerWaalsContact O-N 3.09Å; N221-K224 PolarHBondContact O-N 3.17Å; I222-K224 PolarHBondContact O-N 3.45Å; K224-Q228 WeakPolarHBondContact O-CB 3.39Å; K224-Q228 PolarHBondContact O-N 3.25Å; K224-Q228 VanDerWaalsContact O-N 3.11Å
225Q81.7Confident78.3Confident126 Ų126101.4 Ų101.459%0.58954%0.535SS*.Hα-helixtrans-65.2-41.4178.3-110.1-158.155.700112.8N221 I222 Q228 N229N221-Q225 PolarHBondContact O-N 3.46Å; I222-Q225 PolarHBondContact O-N 2.98Å; Q225-Q228 PolarHBondContact O-N 3.32Å; Q225-N229 WeakPolarHBondContact O-CB 3.36Å; Q225-N229 VanDerWaalsContact O-CG 3.32Å; Q225-N229 PolarHBondContact O-N 3.39Å; Q225-N229 PolarHBondContact O-ND2 3.43Å
226V87.2Confident80Confident75 Ų75104.5 Ų104.546%0.45554%0.54SS..Hα-helixtrans-61.3-48.4178.11720000110.7I222 M223 Q228 N229 E230I222-V226 HydrophobicContact CG2-CG2 4.36Å; I222-V226 WeakPolarHBondContact O-CG2 3.13Å; I222-V226 PolarHBondContact O-N 2.85Å; M223-V226 PolarHBondContact O-N 2.89Å; V226-Q228 VanDerWaalsContact C-N 3.27Å; V226-Q228 PolarHBondContact O-N 3.3Å; V226-N229 PolarHBondContact O-N 3.24Å; V226-N229 VanDerWaalsContact O-N 3.17Å; V226-E230 PolarHBondContact O-N 2.94Å
227A84.5Confident81.4Confident51 Ų51102.5 Ų102.542%0.42154%0.535SS..Hα-helixtrans-59-39.217700000112.1M223 E230 V231M223-A227 PolarHBondContact O-N 3.45Å; A227-E230 PolarHBondContact O-N 3.22Å; A227-V231 WeakPolarHBondContact O-CG2 3.44Å; A227-V231 PolarHBondContact O-N 3.49Å
228Q81.3Confident83Confident131 Ų131105.4 Ų105.461%0.61254%0.538SS*.Hα-helixtrans-68.8-37.2178.9-140.7158.813.300112.3K224 Q225 V226 T232K224-Q228 WeakPolarHBondContact O-CB 3.39Å; K224-Q228 PolarHBondContact O-N 3.25Å; K224-Q228 VanDerWaalsContact O-N 3.11Å; Q225-Q228 PolarHBondContact O-N 3.32Å; V226-Q228 VanDerWaalsContact C-N 3.27Å; V226-Q228 PolarHBondContact O-N 3.3Å; Q228-T232 WeakPolarHBondContact O-CB 3.41Å; Q228-T232 PolarHBondContact O-N 3.47Å; Q228-T232 PolarHBondContact O-OG1 3.1Å
229N88Confident83.5Confident83 Ų83103.3 Ų103.344%0.44453%0.53SS..Hα-helixtrans-68.4-37.5175.8-73.8-19.4000112.2Q225 V226 T232 N233Q225-N229 WeakPolarHBondContact O-CB 3.36Å; Q225-N229 VanDerWaalsContact O-CG 3.32Å; Q225-N229 PolarHBondContact O-N 3.39Å; Q225-N229 PolarHBondContact O-ND2 3.43Å; V226-N229 PolarHBondContact O-N 3.24Å; V226-N229 VanDerWaalsContact O-N 3.17Å; N229-T232 PolarHBondContact O-N 3.09Å; N229-N233 WeakPolarHBondContact O-CB 3.48Å; N229-N233 PolarHBondContact O-N 3.34Å; N229-N233 PolarHBondContact O-ND2 3.25Å
230E88.4Confident84.5Confident122 Ų122106.7 Ų106.757%0.5754%0.535SS*.Hα-helixtrans-62.2-46.2174.9-74.1-179.6171.700112.4V226 A227 T232 N233 T234V226-E230 PolarHBondContact O-N 2.94Å; A227-E230 PolarHBondContact O-N 3.22Å; E230-T232 VanDerWaalsContact C-N 3.31Å; E230-T232 PolarHBondContact O-N 3.49Å; E230-N233 PolarHBondContact O-N 3.03Å; E230-T234 WeakPolarHBondContact O-CB 3.38Å; E230-T234 PolarHBondContact O-N 3.03Å; E230-T234 PolarHBondContact O-OG1 3.3Å
231V87.4Confident85.3Confident87 Ų87102.7 Ų102.753%0.52752%0.523SS..Hα-helixtrans-60-45.5175.4173.50000110.2A227 N233 T234 I235A227-V231 WeakPolarHBondContact O-CG2 3.44Å; A227-V231 PolarHBondContact O-N 3.49Å; V231-N233 VanDerWaalsContact C-N 3.34Å; V231-N233 PolarHBondContact O-N 3.24Å; V231-T234 WeakPolarHBondContact O-CB 3.27Å; V231-T234 PolarHBondContact O-N 2.85Å; V231-I235 HydrophobicContact CG1-CD1 4Å; V231-I235 WeakPolarHBondContact O-CG1 3.29Å; V231-I235 PolarHBondContact O-N 3.23Å
232T88.3Confident85.3Confident55 Ų55101.9 Ų101.934%0.33752%0.519SS..Hα-helixtrans-61.6-42.6179.3-55.50000111.7Q228 N229 E230 I235 K236Q228-T232 WeakPolarHBondContact O-CB 3.41Å; Q228-T232 PolarHBondContact O-N 3.47Å; Q228-T232 PolarHBondContact O-OG1 3.1Å; N229-T232 PolarHBondContact O-N 3.09Å; E230-T232 VanDerWaalsContact C-N 3.31Å; E230-T232 PolarHBondContact O-N 3.49Å; T232-I235 PolarHBondContact O-N 3.1Å; T232-K236 HydrophobicContact CG2-CD 4.32Å; T232-K236 WeakPolarHBondContact O-CG 3.31Å; T232-K236 PolarHBondContact O-N 3.21Å
233N90.2Very high85.4Confident83 Ų83103.2 Ų103.244%0.44452%0.523SS..Hα-helixtrans-66.8-38.3177.4-70.8-23.4000111.8N229 E230 V231 K236 N237N229-N233 WeakPolarHBondContact O-CB 3.48Å; N229-N233 PolarHBondContact O-N 3.34Å; N229-N233 PolarHBondContact O-ND2 3.25Å; E230-N233 PolarHBondContact O-N 3.03Å; V231-N233 VanDerWaalsContact C-N 3.34Å; V231-N233 PolarHBondContact O-N 3.24Å; N233-K236 PolarHBondContact O-N 2.98Å; N233-N237 WeakPolarHBondContact O-CB 3.33Å; N233-N237 PolarHBondContact O-N 2.81Å; N233-N237 PolarHBondContact O-ND2 2.95Å
234T89.6Confident85.4Confident93 Ų93100.7 Ų100.757%0.57152%0.52SS*.Hα-helixtrans-61.5-46176.3-56.20000111.4E230 V231 N237 R238E230-T234 WeakPolarHBondContact O-CB 3.38Å; E230-T234 PolarHBondContact O-N 3.03Å; E230-T234 PolarHBondContact O-OG1 3.3Å; V231-T234 WeakPolarHBondContact O-CB 3.27Å; V231-T234 PolarHBondContact O-N 2.85Å; T234-N237 PolarHBondContact O-N 3.23Å; T234-R238 WeakPolarHBondContact O-CB 3.33Å; T234-R238 PolarHBondContact O-N 2.63Å
235I86.6Confident85.1Confident98 Ų98102.2 Ų102.250%0.50353%0.526SS..Hα-helixtrans-62.7-46.7177.1-65.3167.7000110.5V231 T232 N237 R238 I239V231-I235 HydrophobicContact CG1-CD1 4Å; V231-I235 WeakPolarHBondContact O-CG1 3.29Å; V231-I235 PolarHBondContact O-N 3.23Å; T232-I235 PolarHBondContact O-N 3.1Å; I235-N237 PolarHBondContact O-N 3.33Å; I235-R238 PolarHBondContact O-N 3.14Å; I235-I239 HydrophobicContact CG2-CD1 3.84Å; I235-I239 HydrophobicContact CG2-CG1 4.46Å; I235-I239 WeakPolarHBondContact O-CG1 3.41Å; I235-I239 PolarHBondContact O-N 3.32Å
236K91.6Very high84.4Confident127 Ų127101.3 Ų101.355%0.55253%0.525SS*.Hα-helixtrans-59.6-45.1178-75.2174.9179.8175.30112.5T232 N233 R238 I239 K240T232-K236 HydrophobicContact CG2-CD 4.32Å; T232-K236 WeakPolarHBondContact O-CG 3.31Å; T232-K236 PolarHBondContact O-N 3.21Å; N233-K236 PolarHBondContact O-N 2.98Å; K236-R238 VanDerWaalsContact C-N 3.31Å; K236-R238 PolarHBondContact O-N 3.04Å; K236-I239 PolarHBondContact O-N 3.05Å; K236-K240 WeakPolarHBondContact O-CB 3.49Å; K236-K240 PolarHBondContact O-N 2.98Å
237N87.9Confident83.3Confident110 Ų110102.9 Ų102.959%0.58854%0.536SS*.Hα-helixtrans-64.2-38178.1-70.1-18.2000111.5N233 T234 I235 A241N233-N237 WeakPolarHBondContact O-CB 3.33Å; N233-N237 PolarHBondContact O-N 2.81Å; N233-N237 PolarHBondContact O-ND2 2.95Å; T234-N237 PolarHBondContact O-N 3.23Å; I235-N237 PolarHBondContact O-N 3.33Å; N237-A241 WeakPolarHBondContact O-CB 3.38Å; N237-A241 PolarHBondContact O-N 2.86Å
238R90.5Very high82.3Confident160 Ų160106.2 Ų106.260%0.60456%0.557SS**Hα-helixtrans-66.9-43.8177.3-17360.8172.3158.2-1.3112.2T234 I235 K236 A241 L242T234-R238 WeakPolarHBondContact O-CB 3.33Å; T234-R238 PolarHBondContact O-N 2.63Å; I235-R238 PolarHBondContact O-N 3.14Å; K236-R238 VanDerWaalsContact C-N 3.31Å; K236-R238 PolarHBondContact O-N 3.04Å; R238-A241 PolarHBondContact O-N 3Å; R238-L242 WeakPolarHBondContact O-CG 3.41Å; R238-L242 PolarHBondContact O-N 3.46Å; R238-L242 VanDerWaalsContact O-N 3.1Å
239I81.3Confident81Confident83 Ų83106.2 Ų106.243%0.42656%0.561SS.*Hα-helixtrans-60.9-48.7175.8-67.9168.6000109.9I235 K236 A241 L242 E243I235-I239 HydrophobicContact CG2-CD1 3.84Å; I235-I239 HydrophobicContact CG2-CG1 4.46Å; I235-I239 WeakPolarHBondContact O-CG1 3.41Å; I235-I239 PolarHBondContact O-N 3.32Å; K236-I239 PolarHBondContact O-N 3.05Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 3.07Å; I239-L242 WeakPolarHBondContact O-CA 3.37Å; I239-L242 WeakPolarHBondContact O-CB 3.33Å; I239-L242 PolarHBondContact O-N 3.01Å; I239-E243 HydrophobicContact CG2-CG 4.24Å; I239-E243 WeakPolarHBondContact O-CG 3.45Å; I239-E243 PolarHBondContact O-N 3.4Å
240K86.3Confident79.3Confident148 Ų148106.3 Ų106.364%0.64358%0.581SS**Hα-helixtrans-58.7-38.5178.6-170.3176.9-178179.90112.8K236 L242 E243 S244K236-K240 WeakPolarHBondContact O-CB 3.49Å; K236-K240 PolarHBondContact O-N 2.98Å; K240-L242 VanDerWaalsContact C-N 3.32Å; K240-E243 PolarHBondContact O-N 2.84Å; K240-S244 PolarHBondContact O-N 2.99Å; K240-S244 PolarHBondContact O-OG 3.07Å
241A84.6Confident77.6Confident39 Ų39105.9 Ų105.932%0.32259%0.588SS.*Hα-helixtrans-70.4-26.2176.200000113.4N237 R238 I239 S244 K245N237-A241 WeakPolarHBondContact O-CB 3.38Å; N237-A241 PolarHBondContact O-N 2.86Å; R238-A241 PolarHBondContact O-N 3Å; I239-A241 VanDerWaalsContact C-N 3.28Å; I239-A241 PolarHBondContact O-N 3.07Å; A241-S244 PolarHBondContact O-OG 3.38Å; A241-S244 VanDerWaalsContact O-OG 3.1Å; A241-K245 WeakPolarHBondContact O-CG 3.41Å
242L79.4Confident75.8Confident88 Ų88105.8 Ų105.846%0.46160%0.596SS.*Hα-helixtrans-77.2-43.4171.7-69.5171.6000110.4R238 I239 K240 S244 K245 L246R238-L242 WeakPolarHBondContact O-CG 3.41Å; R238-L242 PolarHBondContact O-N 3.46Å; R238-L242 VanDerWaalsContact O-N 3.1Å; I239-L242 WeakPolarHBondContact O-CA 3.37Å; I239-L242 WeakPolarHBondContact O-CB 3.33Å; I239-L242 PolarHBondContact O-N 3.01Å; K240-L242 VanDerWaalsContact C-N 3.32Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.06Å; L242-K245 WeakPolarHBondContact O-CA 3.24Å; L242-K245 WeakPolarHBondContact O-CB 3.48Å; L242-K245 PolarHBondContact O-N 2.95Å; L242-L246 WeakPolarHBondContact O-CD1 3.09Å; L242-L246 PolarHBondContact O-N 2.91Å
243E79.4Confident74Confident127 Ų127109.4 Ų109.459%0.59361%0.612SS**Hα-helixtrans-59.5-40.1176.1-71.4175.3169.600112.2I239 K240 K245 L246I239-E243 HydrophobicContact CG2-CG 4.24Å; I239-E243 WeakPolarHBondContact O-CG 3.45Å; I239-E243 PolarHBondContact O-N 3.4Å; K240-E243 PolarHBondContact O-N 2.84Å; E243-K245 PolarHBondContact O-N 2.63Å; E243-L246 PolarHBondContact O-N 3.25Å; E243-L246 VanDerWaalsContact O-N 3.14Å
244S77.2Confident72.3Confident97 Ų97112.8 Ų112.868%0.67863%0.63SS**THydrogen-bonded Turntrans-67.1-18.6175.467.50000113.9K240 A241 L242K240-S244 PolarHBondContact O-N 2.99Å; K240-S244 PolarHBondContact O-OG 3.07Å; A241-S244 PolarHBondContact O-OG 3.38Å; A241-S244 VanDerWaalsContact O-OG 3.1Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.06Å
245K74.6Confident70.5Confident163 Ų163118.4 Ų118.471%0.70964%0.643SS**THydrogen-bonded Turntrans-90.3-6.5176.4-71.7-177.3-179.9-163.80112.7A241 L242 E243A241-K245 WeakPolarHBondContact O-CG 3.41Å; L242-K245 WeakPolarHBondContact O-CA 3.24Å; L242-K245 WeakPolarHBondContact O-CB 3.48Å; L242-K245 PolarHBondContact O-N 2.95Å; E243-K245 PolarHBondContact O-N 2.63Å
246L67.9Low69.4Low108 Ų108124.3 Ų124.357%0.56566%0.659SS**SBendtrans-74.2127.1173.7-92.281.2000109.7L242 E243 S248L242-L246 WeakPolarHBondContact O-CD1 3.09Å; L242-L246 PolarHBondContact O-N 2.91Å; E243-L246 PolarHBondContact O-N 3.25Å; E243-L246 VanDerWaalsContact O-N 3.14Å; L246-S248 PolarHBondContact O-N 2.69Å
247P64.3Low68.3Low107 Ų107128.4 Ų128.470%0.69568%0.676SS**  trans-61.8131170.423.2-29.4000109.7N249P247-N249 PolarHBondContact O-N 3.31Å; P247-N249 VanDerWaalsContact O-N 3.11Å
248S62.8Low67.6Low122 Ų122127.2 Ų127.285%0.85367%0.673SS**SBendtrans-68-7-174.752.70000115L246 G250L246-S248 PolarHBondContact O-N 2.69Å; S248-G250 PolarHBondContact O-N 3.16Å; S248-G250 VanDerWaalsContact O-N 3.16Å
249N55.1Low67Low131 Ų131125.4 Ų125.470%0.70168%0.675SS**SBendtrans-78.9102172.7-81.8-8.9000108.9P247 T251P247-N249 PolarHBondContact O-N 3.31Å; P247-N249 VanDerWaalsContact O-N 3.11Å; N249-T251 PolarHBondContact O-N 3.31Å
250G51.9Low67Low84 Ų84125.7 Ų125.787%0.86668%0.682SS**  trans-61.839.918000000116.1S248 A252S248-G250 PolarHBondContact O-N 3.16Å; S248-G250 VanDerWaalsContact O-N 3.16Å; G250-A252 PolarHBondContact O-N 2.75Å; G250-A252 VanDerWaalsContact O-N 3.15Å
251T53.4Low66.9Low114 Ų114129 Ų12970%0.69969%0.691SS**  trans-72.7104.3161.3-260000105.4N249 L253N249-T251 PolarHBondContact O-N 3.31Å; T251-L253 PolarHBondContact O-N 2.87Å; T251-L253 VanDerWaalsContact O-N 3.14Å
252A48.7Very low66.7Low85 Ų85129.6 Ų129.670%0.70270%0.696SS**  trans-37.5123.8171.100000108.8G250 N254G250-A252 PolarHBondContact O-N 2.75Å; G250-A252 VanDerWaalsContact O-N 3.15Å; A252-N254 VanDerWaalsContact C-N 3.28Å; A252-N254 PolarHBondContact O-N 3.21Å
253L50.8Low66.5Low131 Ų131131.4 Ų131.469%0.68670%0.702SS**  trans-52.799.2178.6-74.7165.9000107.2T251 Y255T251-L253 PolarHBondContact O-N 2.87Å; T251-L253 VanDerWaalsContact O-N 3.14Å; L253-Y255 HydrophobicContact CB-CD2 4.42Å; L253-Y255 HydrophobicContact CB-CE2 4.43Å; L253-Y255 PolarHBondContact O-N 3.35Å
254N53.3Low66.2Low153 Ų153130.3 Ų130.382%0.81870%0.699SS**  trans-67.990.8172.4-116.1-37.5000103.9A252 R256A252-N254 VanDerWaalsContact C-N 3.28Å; A252-N254 PolarHBondContact O-N 3.21Å; N254-R256 PolarHBondContact O-N 2.88Å
255Y53.6Low66.4Low212 Ų212132 Ų13283%0.83170%0.698SS**  trans-59.589.9164.7-89.3-88.1000105.9L253 K257L253-Y255 HydrophobicContact CB-CD2 4.42Å; L253-Y255 HydrophobicContact CB-CE2 4.43Å; L253-Y255 PolarHBondContact O-N 3.35Å; Y255-K257 PolarHBondContact O-N 3.42Å
256R62.2Low66.8Low222 Ų222129 Ų12984%0.83869%0.689SS**  trans-72.9113.5170.5-134.7175.9-179.8157.80104.5N254 V258N254-R256 PolarHBondContact O-N 2.88Å; R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 WeakPolarHBondContact O-CG2 3.37Å; R256-V258 PolarHBondContact O-N 2.88Å
257K69.8Low67.2Low213 Ų213126.5 Ų126.593%0.92668%0.684SS**  trans-57.6101.9169.8-171.5174.3-177.2179.20106.8Y255Y255-K257 PolarHBondContact O-N 3.42Å
258V71.7Confident67.7Low84 Ų84129.5 Ų129.551%0.50968%0.681SS.*  trans-86.5142.4175-174.30000107.1R256 A262R256-V258 VanDerWaalsContact C-N 3.33Å; R256-V258 WeakPolarHBondContact O-CG2 3.37Å; R256-V258 PolarHBondContact O-N 2.88Å; V258-A262 HydrophobicContact CG1-CB 4.09Å
259D79Confident68.5Low122 Ų122129.9 Ų129.965%0.65267%0.67SS**  trans-60.8127.1171-73.4-46.2000109.4R261 A262 E263D259-R261 PolarHBondContact O-N 3.31Å; D259-A262 HydrophobicContact CB-CB 4.39Å; D259-A262 WeakPolarHBondContact O-CB 3.42Å; D259-A262 PolarHBondContact O-N 2.96Å; D259-E263 PolarHBondContact O-N 3.47Å
260P80.5Confident69.3Low89 Ų89129 Ų12958%0.57866%0.664SS**Hα-helixtrans-58.8-27.5-176.319.5-30.6000112.1E263 I264P260-E263 PolarHBondContact O-N 2.97Å; P260-I264 WeakPolarHBondContact O-CB 3.2Å; P260-I264 WeakPolarHBondContact O-CD1 3.3Å; P260-I264 WeakPolarHBondContact O-CG1 3.29Å; P260-I264 PolarHBondContact O-N 3.36Å
261R84.7Confident70Confident218 Ų218128.3 Ų128.382%0.82365%0.646SS**Hα-helixtrans-65.1-38.4174.1-166.8174.2-172.8161.81.8112.5D259 M265D259-R261 PolarHBondContact O-N 3.31Å; R261-M265 VanDerWaalsContact O-CB 3.31Å; R261-M265 WeakPolarHBondContact O-CB 3.16Å; R261-M265 PolarHBondContact O-N 2.79Å
262A79.3Confident70.2Confident52 Ų52128.6 Ų128.643%0.4364%0.643SS.*Hα-helixtrans-70.7-39.2177.800000111.2V258 D259 M265 L266V258-A262 HydrophobicContact CG1-CB 4.09Å; D259-A262 HydrophobicContact CB-CB 4.39Å; D259-A262 WeakPolarHBondContact O-CB 3.42Å; D259-A262 PolarHBondContact O-N 2.96Å; A262-M265 PolarHBondContact O-N 2.98Å; A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 PolarHBondContact O-N 3.44Å
263E75.8Confident70.3Confident125 Ų125128.9 Ų128.958%0.58464%0.64SS**Hα-helixtrans-65.3-44.2176.4-170.8176-173.600112D259 P260 M265 L266 A267D259-E263 PolarHBondContact O-N 3.47Å; P260-E263 PolarHBondContact O-N 2.97Å; E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 2.99Å; E263-L266 PolarHBondContact O-N 3.45Å; E263-A267 WeakPolarHBondContact O-CB 3.24Å; E263-A267 PolarHBondContact O-N 3.35Å
264I74.5Confident70.4Confident105 Ų105127.3 Ų127.354%0.53864%0.635SS.*Hα-helixtrans-61.4-41.1174.4-69.2165.5000110.9P260 A267 R268P260-I264 WeakPolarHBondContact O-CB 3.2Å; P260-I264 WeakPolarHBondContact O-CD1 3.3Å; P260-I264 WeakPolarHBondContact O-CG1 3.29Å; P260-I264 PolarHBondContact O-N 3.36Å; I264-A267 PolarHBondContact O-N 3.36Å; I264-R268 PolarHBondContact O-N 3.42Å
265M81.4Confident70.1Confident132 Ų132126 Ų12665%0.6563%0.628SS**Hα-helixtrans-67.6-41.4179.6-170.2172.9155.500111.7R261 A262 E263 R268 Q269R261-M265 VanDerWaalsContact O-CB 3.31Å; R261-M265 WeakPolarHBondContact O-CB 3.16Å; R261-M265 PolarHBondContact O-N 2.79Å; A262-M265 PolarHBondContact O-N 2.98Å; E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 2.99Å; M265-R268 PolarHBondContact O-N 2.74Å; M265-Q269 PolarHBondContact O-N 3.14Å
266L81.6Confident69.6Low99 Ų99122.6 Ų122.652%0.51863%0.625SS.*Hα-helixtrans-62.2-46.8173.4-177.672.6000111.4A262 E263 R268 Q269 L270A262-L266 WeakPolarHBondContact O-CB 3.32Å; A262-L266 PolarHBondContact O-N 3.44Å; E263-L266 PolarHBondContact O-N 3.45Å; L266-R268 VanDerWaalsContact C-N 3.29Å; L266-R268 PolarHBondContact O-N 2.74Å; L266-Q269 WeakPolarHBondContact O-CB 3.17Å; L266-Q269 PolarHBondContact O-N 3.19Å; L266-Q269 VanDerWaalsContact O-N 3.1Å; L266-L270 HydrophobicContact CG-CD1 4.18Å; L266-L270 WeakPolarHBondContact O-CG 3.36Å; L266-L270 PolarHBondContact O-N 3.47Å
267A75.9Confident68.6Low56 Ų56119.9 Ų119.946%0.46363%0.627SS.*Hα-helixtrans-59.9-40.3177.700000111.7E263 I264 S271E263-A267 WeakPolarHBondContact O-CB 3.24Å; E263-A267 PolarHBondContact O-N 3.35Å; I264-A267 PolarHBondContact O-N 3.36Å; A267-S271 PolarHBondContact O-N 2.71Å; A267-S271 PolarHBondContact O-OG 2.79Å
268R75.2Confident67.2Low170 Ų170118 Ų11864%0.64262%0.622SS**Hα-helixtrans-61.7-46.1172.3-83.9-176.1176.7-179.7-0.4111.9I264 M265 L266 L270 S271 L272I264-R268 PolarHBondContact O-N 3.42Å; M265-R268 PolarHBondContact O-N 2.74Å; L266-R268 VanDerWaalsContact C-N 3.29Å; L266-R268 PolarHBondContact O-N 2.74Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.1Å; R268-S271 VanDerWaalsContact CA-OG 3.3Å; R268-S271 WeakPolarHBondContact CA-OG 3.27Å; R268-S271 PolarHBondContact O-N 3.14Å; R268-S271 VanDerWaalsContact O-N 3.14Å; R268-S271 PolarHBondContact O-OG 2.9Å; R268-L272 WeakPolarHBondContact O-CB 3.47Å; R268-L272 WeakPolarHBondContact O-CD1 3.3Å; R268-L272 VanDerWaalsContact O-CG 3.31Å; R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 3.37Å
269Q79.5Confident65.6Low130 Ų130121.1 Ų121.161%0.60764%0.635SS**Hα-helixtrans-61.9-43.2-179.5-161.8172.615.300111.6M265 L266 S271 L272 S273M265-Q269 PolarHBondContact O-N 3.14Å; L266-Q269 WeakPolarHBondContact O-CB 3.17Å; L266-Q269 PolarHBondContact O-N 3.19Å; L266-Q269 VanDerWaalsContact O-N 3.1Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 3.41Å; Q269-L272 PolarHBondContact O-N 3.15Å; Q269-S273 PolarHBondContact O-N 3.02Å; Q269-S273 PolarHBondContact O-OG 2.91Å
270L72.9Confident63.9Low112 Ų112124.6 Ų124.659%0.58665%0.648SS**Hα-helixtrans-63.5-33174.5-69.6171.4000112.7L266 R268 S273L266-L270 HydrophobicContact CG-CD1 4.18Å; L266-L270 WeakPolarHBondContact O-CG 3.36Å; L266-L270 PolarHBondContact O-N 3.47Å; R268-L270 VanDerWaalsContact C-N 3.34Å; R268-L270 PolarHBondContact O-N 3.1Å; L270-S273 PolarHBondContact O-OG 2.68Å
271S66.2Low62Low70 Ų70130 Ų13049%0.4967%0.665SS.*Hα-helixtrans-77.3-26.8174.460.30000113.9A267 R268 Q269A267-S271 PolarHBondContact O-N 2.71Å; A267-S271 PolarHBondContact O-OG 2.79Å; R268-S271 VanDerWaalsContact CA-OG 3.3Å; R268-S271 WeakPolarHBondContact CA-OG 3.27Å; R268-S271 PolarHBondContact O-N 3.14Å; R268-S271 VanDerWaalsContact O-N 3.14Å; R268-S271 PolarHBondContact O-OG 2.9Å; Q269-S271 VanDerWaalsContact C-N 3.29Å; Q269-S271 PolarHBondContact O-N 3.41Å
272L58.3Low59.9Low120 Ų120126 Ų12663%0.62866%0.66SS**Hα-helixtrans-79.1-27.2-178.8-77.6156.2000112.4R268 Q269 V274R268-L272 WeakPolarHBondContact O-CB 3.47Å; R268-L272 WeakPolarHBondContact O-CD1 3.3Å; R268-L272 VanDerWaalsContact O-CG 3.31Å; R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 3.37Å; Q269-L272 PolarHBondContact O-N 3.15Å; L272-V274 PolarHBondContact O-N 3.19Å; L272-V274 VanDerWaalsContact O-N 3.15Å
273S50Low58.2Low91 Ų91128.7 Ų128.764%0.63667%0.671SS**THydrogen-bonded Turntrans-74.69.3176.653.60000114.7Q269 L270Q269-S273 PolarHBondContact O-N 3.02Å; Q269-S273 PolarHBondContact O-OG 2.91Å; L270-S273 PolarHBondContact O-OG 2.68Å
274V52.7Low56.7Low98 Ų98129.9 Ų129.959%0.59468%0.682SS**THydrogen-bonded Turntrans-108.22-177.9-1750000112.6L272L272-V274 PolarHBondContact O-N 3.19Å; L272-V274 VanDerWaalsContact O-N 3.15Å
275N46.7Very low55.3Low125 Ų125132.8 Ų132.867%0.66869%0.692SS**SBendtrans-100.76.5-174.9-70.5-25.2000115.7
276N43.1Very low53.4Low141 Ų141133.4 Ų133.475%0.75470%0.703SS**  trans-122.896.6169.7-56.7-31.8000105.8
277D42.1Very low51.5Low165 Ų165130.4 Ų130.488%0.88270%0.697SS**  trans-174.6102.3142.1-80.4-28000105.8
278E39.8Very low49.9Very low175 Ų175133.4 Ų133.482%0.81871%0.709SS**  trans-60.4142.7162.8-63.8173.4154.800107.9
279D39.4Very low48.6Very low148 Ų148130.8 Ų130.879%0.79172%0.716SS**  trans5988.2159.4-48-35.6000117.2
280E42.5Very low46.9Very low196 Ų196135.1 Ų135.192%0.91673%0.728SS**  trans-162128.9135.2-111.3179.4-146.500112.7D282E280-D282 PolarHBondContact O-N 3.44Å; E280-D282 VanDerWaalsContact O-N 3.1Å
281E40.6Very low46.2Very low202 Ų202138.7 Ų138.794%0.94474%0.739SS**  trans-70.293.1171.4-66.1-178.2166.300109.2
282D39.9Very low46Very low134 Ų134145.5 Ų145.572%0.71776%0.76SS**  trans-131.8130.2159.1-151.9-1.7000113.6E280E280-D282 PolarHBondContact O-N 3.44Å; E280-D282 VanDerWaalsContact O-N 3.1Å
283T45.2Very low46.4Very low109 Ų109146.6 Ų146.667%0.66976%0.762SS**SBendtrans-60.7142.7179.255.60000111.2
284N43.5Very low47.5Very low150 Ų150148.2 Ų148.280%0.80276%0.763SS**  trans10317.8169.9-52.1-53.9000119.2V286N284-V286 PolarHBondContact O-N 3.22Å
285H44.6Very low48.4Very low165 Ų165147.5 Ų147.576%0.76476%0.761SS**  trans-83.193.6166.8-160.377.7000112.2G287H285-G287 PolarHBondContact O-N 2.75Å
286V41.3Very low49.8Very low145 Ų145151.2 Ų151.288%0.87977%0.765SS**  trans-80.664.5170.8-169.80000109.4N284N284-V286 PolarHBondContact O-N 3.22Å
287G42.7Very low51.1Low37 Ų37146.9 Ų146.938%0.38175%0.749SS.*  trans-92.3121.1169.600000109.8H285 C289H285-G287 PolarHBondContact O-N 2.75Å; G287-C289 VanDerWaalsContact C-N 3.32Å; G287-C289 PolarHBondContact O-N 2.92Å
288T41Very low52.4Low119 Ų119145 Ų14573%0.7374%0.735SS**  trans-76.284.7171.954.20000109.3Y290T288-Y290 PolarHBondContact O-N 3.02Å; T288-Y290 VanDerWaalsContact O-N 3.12Å
289C49.1Very low53.7Low115 Ų115141.2 Ų141.278%0.77772%0.72SS**  trans-78.192.2169.857.60000109.1G287 K291G287-C289 VanDerWaalsContact C-N 3.32Å; G287-C289 PolarHBondContact O-N 2.92Å; C289-K291 VanDerWaalsContact C-N 3.3Å; C289-K291 PolarHBondContact O-N 3.22Å
290Y42.7Very low55.3Low220 Ų220139.3 Ų139.386%0.86371%0.709SS**  trans-69.890.5166.7-83-86.7000108.8T288 K292T288-Y290 PolarHBondContact O-N 3.02Å; T288-Y290 VanDerWaalsContact O-N 3.12Å; Y290-K292 PolarHBondContact O-N 3.05Å
291K59.9Low56.5Low187 Ų187132.7 Ų132.781%0.81369%0.688SS**  trans-70117.6160.5-84.5-177.3177.3175.90107.4C289 Q293C289-K291 VanDerWaalsContact C-N 3.3Å; C289-K291 PolarHBondContact O-N 3.22Å; K291-Q293 PolarHBondContact O-N 3.5Å
292K62Low57.7Low214 Ų214125.9 Ų125.993%0.9367%0.666SS**  trans-59.699.7174.3-159.3176.3-170.7-179.40107.7Y290Y290-K292 PolarHBondContact O-N 3.05Å
293Q66.2Low59.1Low143 Ų143127.8 Ų127.867%0.66866%0.663SS**  trans-66.9147.3177.8-97.3167.3-4100109.8K291K291-Q293 PolarHBondContact O-N 3.5Å
294D72.3Confident60Low124 Ų124126.5 Ų126.566%0.66366%0.663SS**  trans-59.7125171.1-107.4-38000108.9R296 A297 E298D294-R296 PolarHBondContact O-N 3.15Å; D294-A297 WeakPolarHBondContact O-CB 3.49Å; D294-A297 PolarHBondContact O-N 3.4Å; D294-E298 PolarHBondContact O-N 3.16Å
295P70.9Confident60.4Low84 Ų84124.6 Ų124.655%0.54566%0.66SS.*Hα-helixtrans-58.6-24.5-176.119.5-30.3000112.3I299P295-I299 WeakPolarHBondContact O-CD1 3.42Å; P295-I299 VanDerWaalsContact O-CG1 3.25Å; P295-I299 WeakPolarHBondContact O-CG1 2.96Å; P295-I299 PolarHBondContact O-N 3.48Å; P295-I299 VanDerWaalsContact O-N 3.15Å
296R76.2Confident60.8Low202 Ų202125.2 Ų125.276%0.76266%0.661SS**Hα-helixtrans-64.7-38.9174.5-169.4174.5-178.2150.4-0.2112.6D294 L300D294-R296 PolarHBondContact O-N 3.15Å; R296-L300 HydrophobicContact CG-CD1 4.37Å; R296-L300 PolarHBondContact O-N 2.87Å
297A71.9Confident60.8Low51 Ų51126.2 Ų126.242%0.42166%0.656SS.*Hα-helixtrans-71.3-39.9179.500000111.5D294 L300 A301D294-A297 WeakPolarHBondContact O-CB 3.49Å; D294-A297 PolarHBondContact O-N 3.4Å; A297-L300 PolarHBondContact O-N 2.71Å; A297-A301 PolarHBondContact O-N 3.33Å
298E68.1Low60.9Low125 Ų125130.1 Ų130.158%0.58468%0.675SS**Hα-helixtrans-62.6-45.2177.3-171-178.8178.400112D294 L300 A301 A302D294-E298 PolarHBondContact O-N 3.16Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 2.94Å; E298-A301 PolarHBondContact O-N 3.15Å; E298-A302 WeakPolarHBondContact O-CB 3.41Å; E298-A302 PolarHBondContact O-N 2.99Å
299I68.6Low60.8Low96 Ų96133.2 Ų133.249%0.49268%0.681SS.*Hα-helixtrans-62.9-38176.6-67166.2000111.4P295 R303P295-I299 WeakPolarHBondContact O-CD1 3.42Å; P295-I299 VanDerWaalsContact O-CG1 3.25Å; P295-I299 WeakPolarHBondContact O-CG1 2.96Å; P295-I299 PolarHBondContact O-N 3.48Å; P295-I299 VanDerWaalsContact O-N 3.15Å; I299-R303 WeakPolarHBondContact O-CG 3.49Å; I299-R303 PolarHBondContact O-N 2.88Å; I299-R303 VanDerWaalsContact O-N 3.12Å
300L72.5Confident60.2Low108 Ų108136.7 Ų136.757%0.56569%0.686SS**Hα-helixtrans-66-43.7176.9-98.5149000111.6R296 A297 E298 R303 A304R296-L300 HydrophobicContact CG-CD1 4.37Å; R296-L300 PolarHBondContact O-N 2.87Å; A297-L300 PolarHBondContact O-N 2.71Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 2.94Å; L300-R303 PolarHBondContact O-N 3.1Å; L300-A304 PolarHBondContact O-N 3.22Å; L300-A304 VanDerWaalsContact O-N 3.08Å
301A68.1Low60Low57 Ų57131.3 Ų131.347%0.47168%0.68SS.*Hα-helixtrans-62.5-44.9175.700000111.7A297 E298 R303 A304 C305A297-A301 PolarHBondContact O-N 3.33Å; E298-A301 PolarHBondContact O-N 3.15Å; A301-R303 PolarHBondContact O-N 3.23Å; A301-A304 PolarHBondContact O-N 3.11Å; A301-A304 VanDerWaalsContact O-N 3.14Å; A301-C305 PolarHBondContact O-N 3.16Å; A301-C305 VanDerWaalsContact O-N 3.17Å; A301-C305 PolarHBondContact O-SG 3.35Å
302A66Low59Low59 Ų59129.1 Ų129.149%0.48868%0.682SS.*Hα-helixtrans-62.1-30.5177.600000113.1E298E298-A302 WeakPolarHBondContact O-CB 3.41Å; E298-A302 PolarHBondContact O-N 2.99Å
303R68.7Low57.7Low174 Ų174127.5 Ų127.566%0.65768%0.675SS**Hα-helixtrans-74.5-39.2173.7-78.1179.8177.6170.72.9112.6I299 L300 A301 C305 K306I299-R303 WeakPolarHBondContact O-CG 3.49Å; I299-R303 PolarHBondContact O-N 2.88Å; I299-R303 VanDerWaalsContact O-N 3.12Å; L300-R303 PolarHBondContact O-N 3.1Å; A301-R303 PolarHBondContact O-N 3.23Å; R303-C305 VanDerWaalsContact C-N 3.3Å; R303-C305 PolarHBondContact O-N 3.38Å; R303-K306 PolarHBondContact O-N 3.12Å
304A64.3Low56.3Low81 Ų81127.1 Ų127.167%0.66968%0.678SS**Hα-helixtrans-65.7-33.4179.800000112.5L300 A301 K306L300-A304 PolarHBondContact O-N 3.22Å; L300-A304 VanDerWaalsContact O-N 3.08Å; A301-A304 PolarHBondContact O-N 3.11Å; A301-A304 VanDerWaalsContact O-N 3.14Å; A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 2.98Å
305C50.5Low54.7Low110 Ų110128.6 Ų128.674%0.74369%0.686SS**THydrogen-bonded Turntrans-77.2-10.8-179.4-64.80000114.5A301 R303 Q307A301-C305 PolarHBondContact O-N 3.16Å; A301-C305 VanDerWaalsContact O-N 3.17Å; A301-C305 PolarHBondContact O-SG 3.35Å; R303-C305 VanDerWaalsContact C-N 3.3Å; R303-C305 PolarHBondContact O-N 3.38Å; C305-Q307 PolarHBondContact O-N 3.14Å; C305-Q307 VanDerWaalsContact O-N 3.16Å
306K53Low53.1Low178 Ų178129.3 Ų129.377%0.77469%0.693SS**  trans-87.181.3173.7-73.3-173.3178.2-174.20109.5R303 A304R303-K306 PolarHBondContact O-N 3.12Å; A304-K306 VanDerWaalsContact C-N 3.31Å; A304-K306 PolarHBondContact O-N 2.98Å
307Q42.9Very low51.2Low167 Ų167127.9 Ų127.978%0.7870%0.695SS**  trans-61.9134.1159.1-72.4-142.5-12.500108.9C305 Q309C305-Q307 PolarHBondContact O-N 3.14Å; C305-Q307 VanDerWaalsContact O-N 3.16Å; Q307-Q309 PolarHBondContact O-N 2.83Å
308P45Very low49.8Very low119 Ų119131.1 Ų131.177%0.77371%0.712SS**  trans-69.796.2-176.726.3-30.7000109.2E310P308-E310 PolarHBondContact O-N 2.92Å; P308-E310 VanDerWaalsContact O-N 3.16Å
309Q38.7Very low48.4Very low184 Ų184132.6 Ų132.686%0.8673%0.729SS**  trans-70.6109.1161.9-73.8-151-52.400108.1Q307 S311Q307-Q309 PolarHBondContact O-N 2.83Å; Q309-S311 VanDerWaalsContact C-N 3.28Å; Q309-S311 PolarHBondContact O-N 3.27Å
310E36.8Very low46.9Very low188 Ų188130.5 Ų130.588%0.87973%0.731SS**  trans-57.884.1173.7-63.3-179.1153.500110P308P308-E310 PolarHBondContact O-N 2.92Å; P308-E310 VanDerWaalsContact O-N 3.16Å
311S37.8Very low45.4Very low107 Ų107129.1 Ų129.175%0.74874%0.735SS**  trans-89.7111.1167.346.90000108.1Q309 F313Q309-S311 VanDerWaalsContact C-N 3.28Å; Q309-S311 PolarHBondContact O-N 3.27Å; S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.28Å
312V39.5Very low44Very low141 Ų141133.4 Ų133.486%0.85575%0.75SS**  trans-60.485.7172.8-179.10000108D314V312-D314 PolarHBondContact O-N 3.12Å
313F33.6Very low42.5Very low179 Ų179140.8 Ų140.879%0.78577%0.767SS**  trans-88.9107.5167.9-149.8-94000107.7S311S311-F313 VanDerWaalsContact C-N 3.26Å; S311-F313 PolarHBondContact O-N 3.28Å
314D37.3Very low41.7Very low135 Ų135141.2 Ų141.272%0.72277%0.773SS**  trans-63.3131.6178.2-154.2-1.7000109.3V312 S316V312-D314 PolarHBondContact O-N 3.12Å; D314-S316 PolarHBondContact O-N 2.94Å
315N37.7Very low40.6Very low155 Ų155148.4 Ų148.483%0.82978%0.783SS**  trans-74.178.2-178.9-66.9-59.4000109
316S38Very low40.5Very low99 Ų99147.3 Ų147.369%0.69278%0.775SS**  trans-77.8121.6149.753.70000107D314D314-S316 PolarHBondContact O-N 2.94Å
317E35.4Very low40.6Very low172 Ų172143.7 Ų143.780%0.80476%0.764SS**  trans-47.6139.7175.3-75.8179.714600109.8V319E317-V319 PolarHBondContact O-N 3.29Å
318P42.5Very low40.9Very low120 Ų120140.3 Ų140.378%0.77976%0.755SS**  trans-59.4115.518025-31.8000107.8G320P318-G320 PolarHBondContact O-N 2.98Å
319V39.9Very low41.6Very low155 Ų155140.6 Ų140.694%0.93975%0.745SS**  trans-70.852160.1-168.90000107.5E317 A321E317-V319 PolarHBondContact O-N 3.29Å; V319-A321 PolarHBondContact O-N 3.39Å
320G37.2Very low42.4Very low52 Ų52134.8 Ų134.854%0.53673%0.725SS.*  trans-9687.7179.100000107.2P318 N322P318-G320 PolarHBondContact O-N 2.98Å; G320-N322 PolarHBondContact O-N 3.43Å
321A40.2Very low43.1Very low79 Ų79131.1 Ų131.165%0.65371%0.708SS**  trans31.469.8142.800000114.2V319 Y323V319-A321 PolarHBondContact O-N 3.39Å; A321-Y323 HydrophobicContact CB-CD2 3.95Å; A321-Y323 HydrophobicContact CB-CE2 4.34Å; A321-Y323 PolarHBondContact O-N 3.27Å
322N39.3Very low43.5Very low148 Ų148130.8 Ų130.879%0.79170%0.697SS**  trans-7551.9174.6-145.6-4.6000109.7G320 K324G320-N322 PolarHBondContact O-N 3.43Å; N322-K324 VanDerWaalsContact C-N 3.33Å; N322-K324 PolarHBondContact O-N 3.25Å; N322-K324 VanDerWaalsContact O-N 3.07Å
323Y33.6Very low44.2Very low213 Ų213132.8 Ų132.884%0.83569%0.689SS**  trans-77.990.7170.3-73.4-76.9000107.1A321 R325A321-Y323 HydrophobicContact CB-CD2 3.95Å; A321-Y323 HydrophobicContact CB-CE2 4.34Å; A321-Y323 PolarHBondContact O-N 3.27Å; Y323-R325 PolarHBondContact O-N 2.62Å
324K53Low45.2Very low183 Ų183127.9 Ų127.980%0.79668%0.677SS**  trans-61.1104.5162.3-80.8179.1176.4177.90107.4N322 P326N322-K324 VanDerWaalsContact C-N 3.33Å; N322-K324 PolarHBondContact O-N 3.25Å; N322-K324 VanDerWaalsContact O-N 3.07Å; K324-P326 WeakPolarHBondContact O-CD 3.21Å
325R41.6Very low45.5Very low233 Ų233126.4 Ų126.488%0.87967%0.668SS**  trans-56.4120173.6-166.9180-161.6178.44.9108.4Y323 D327Y323-R325 PolarHBondContact O-N 2.62Å; R325-D327 PolarHBondContact O-N 2.87Å
326P47.3Very low46.2Very low86 Ų86126.5 Ų126.556%0.55866%0.661SS**  trans-60.1136.7177.4-20.831.9000110.5K324 V328K324-P326 WeakPolarHBondContact O-CD 3.21Å; P326-V328 PolarHBondContact O-N 3.41Å
327D54.8Low46.8Very low103 Ų103125.1 Ų125.155%0.55166%0.656SS**  trans-71.3108.5175.1-177.4-2.9000109.3R325 Q329 S330R325-D327 PolarHBondContact O-N 2.87Å; D327-Q329 PolarHBondContact O-N 3.03Å; D327-Q329 PolarHBondContact OD1-N 3.33Å; D327-S330 PolarHBondContact O-N 2.84Å; D327-S330 PolarHBondContact O-OG 3.27Å
328V50.7Low47.1Very low96 Ų96120.1 Ų120.158%0.58264%0.644SS**Hα-helixtrans-51.7-28.1-176.4-176.80000112.3P326 S330 E331 I332P326-V328 PolarHBondContact O-N 3.41Å; V328-S330 VanDerWaalsContact C-N 3.32Å; V328-S330 PolarHBondContact O-N 3.11Å; V328-E331 PolarHBondContact O-N 2.97Å; V328-I332 HydrophobicContact CG1-CD1 4.19Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 2.86Å
329Q59.5Low46.7Very low124 Ų124120.5 Ų120.558%0.57964%0.639SS**Hα-helixtrans-68.5-31179.7-67.8-177.1-7.600113.2D327 R333D327-Q329 PolarHBondContact O-N 3.03Å; D327-Q329 PolarHBondContact OD1-N 3.33Å; Q329-R333 WeakPolarHBondContact O-CG 3.43Å
330S55.3Low46.5Very low62 Ų62120.1 Ų120.143%0.43463%0.632SS.*Hα-helixtrans-72.4-37177.366.10000111.5D327 V328 R333 S334D327-S330 PolarHBondContact O-N 2.84Å; D327-S330 PolarHBondContact O-OG 3.27Å; V328-S330 VanDerWaalsContact C-N 3.32Å; V328-S330 PolarHBondContact O-N 3.11Å; S330-R333 PolarHBondContact O-N 2.99Å; S330-S334 PolarHBondContact O-N 3.39Å; S330-S334 VanDerWaalsContact O-N 3.13Å; S330-S334 PolarHBondContact O-OG 3.42Å
331E50.4Low46.6Very low112 Ų112121.8 Ų121.852%0.52364%0.635SS.*Hα-helixtrans-69.7-38.9-177.5-153.9137-155.900111.9V328 R333 S334 I335V328-E331 PolarHBondContact O-N 2.97Å; E331-R333 VanDerWaalsContact C-N 3.31Å; E331-R333 PolarHBondContact O-N 2.98Å; E331-S334 PolarHBondContact O-N 3.24Å; E331-I335 WeakPolarHBondContact O-CG1 3.31Å; E331-I335 PolarHBondContact O-N 3.49Å
332I46.4Very low46.1Very low100 Ų100125.6 Ų125.651%0.51365%0.645SS.*Hα-helixtrans-63.3-37.1174.2-63.7170.4000111.5V328 I335 K336V328-I332 HydrophobicContact CG1-CD1 4.19Å; V328-I332 WeakPolarHBondContact O-CG1 3.48Å; V328-I332 PolarHBondContact O-N 2.86Å; I332-I335 PolarHBondContact O-N 3.45Å; I332-K336 PolarHBondContact O-N 2.95Å; I332-K336 VanDerWaalsContact O-N 3.07Å
333R54.8Low45.6Very low183 Ų183125.4 Ų125.469%0.69165%0.649SS**Hα-helixtrans-67.6-39.2177.8-72.4177.7-170.7163.56111.3Q329 S330 E331 K336 A337Q329-R333 WeakPolarHBondContact O-CG 3.43Å; S330-R333 PolarHBondContact O-N 2.99Å; E331-R333 VanDerWaalsContact C-N 3.31Å; E331-R333 PolarHBondContact O-N 2.98Å; R333-K336 PolarHBondContact O-N 3.4Å; R333-A337 WeakPolarHBondContact O-CB 3.17Å; R333-A337 PolarHBondContact O-N 3.35Å
334S53.4Low45.2Very low76 Ų76122.5 Ų122.553%0.53165%0.647SS.*Hα-helixtrans-65-40.5176.9-49.20000112S330 E331 A337 A338S330-S334 PolarHBondContact O-N 3.39Å; S330-S334 VanDerWaalsContact O-N 3.13Å; S330-S334 PolarHBondContact O-OG 3.42Å; E331-S334 PolarHBondContact O-N 3.24Å; S334-A337 PolarHBondContact O-N 3.1Å; S334-A338 PolarHBondContact O-N 2.99Å
335I45.1Very low43.9Very low103 Ų103119.6 Ų119.653%0.52865%0.65SS.*Hα-helixtrans-69.8-37.3179.1-63.8166.3000111E331 I332 A337 A338 N339E331-I335 WeakPolarHBondContact O-CG1 3.31Å; E331-I335 PolarHBondContact O-N 3.49Å; I332-I335 PolarHBondContact O-N 3.45Å; I335-A337 VanDerWaalsContact C-N 3.33Å; I335-A338 PolarHBondContact O-N 3.21Å; I335-N339 PolarHBondContact O-N 3.2Å
336K51.9Low43.3Very low157 Ų157113.6 Ų113.668%0.68364%0.644SS**Hα-helixtrans-68.4-30.7172-91.3-174.6173.9-178.20113.2I332 R333I332-K336 PolarHBondContact O-N 2.95Å; I332-K336 VanDerWaalsContact O-N 3.07Å; R333-K336 PolarHBondContact O-N 3.4Å
337A49.5Very low42.3Very low71 Ų71115.3 Ų115.359%0.58765%0.653SS**Hα-helixtrans-71.1-36.6174.900000112R333 S334 I335R333-A337 WeakPolarHBondContact O-CB 3.17Å; R333-A337 PolarHBondContact O-N 3.35Å; S334-A337 PolarHBondContact O-N 3.1Å; I335-A337 VanDerWaalsContact C-N 3.33Å
338A42.6Very low40.9Very low66 Ų66117.4 Ų117.455%0.54566%0.664SS.*Hα-helixtrans-72.3-28-178.500000113.8S334 I335 N340S334-A338 PolarHBondContact O-N 2.99Å; I335-A338 PolarHBondContact O-N 3.21Å; A338-N340 VanDerWaalsContact C-N 3.27Å; A338-N340 PolarHBondContact O-N 3.1Å
339N35.1Very low39.9Very low129 Ų129122.2 Ų122.269%0.6968%0.68SS**THydrogen-bonded Turntrans-822.5-178-75.3-5.6000114.8I335I335-N339 PolarHBondContact O-N 3.2Å
340N34.7Very low38.2Very low147 Ų147125.8 Ų125.879%0.78669%0.694SS**THydrogen-bonded Turntrans-10612.1-177.2-83.5-0000115.3A338A338-N340 VanDerWaalsContact C-N 3.27Å; A338-N340 PolarHBondContact O-N 3.1Å
341S38.3Very low37.1Very low87 Ų87127.9 Ų127.961%0.60871%0.708SS**SBendtrans-125.360.1178.256.30000111.5
342N31.2Very low35.9Very low158 Ų158130.3 Ų130.385%0.84573%0.725SS**  trans-162.873.5162.7-90.8-25.1000110.7
343T27.8Very low35.3Very low145 Ų145133.6 Ų133.689%0.8974%0.742SS**SBendtrans-168.2145.8141.19.30000112.2
344L26.1Very low33.9Very low152 Ų152130.8 Ų130.880%0.79674%0.74SS**  trans-55.6138.8-162.3-79.961.6000115.3S346L344-S346 PolarHBondContact O-N 3Å
345S25.1Very low32.6Very low121 Ų121133.1 Ų133.185%0.84675%0.747SS**  trans-58.8113.1151.354.50000110
346S29.4Very low31.9Very low108 Ų108135 Ų13576%0.75576%0.758SS**  trans-125.7135.2155.4-71.90000108.1L344L344-S346 PolarHBondContact O-N 3Å
347T25.3Very low30.5Very low122 Ų122134.4 Ų134.475%0.74876%0.762SS**  trans-67.7145.9-165.845.90000114.2
348N25.1Very low29.5Very low146 Ų146137.9 Ų137.978%0.78177%0.771SS**  trans48.5113.5144.3-63.4-15.6000118.5
349E29.7Very low28.8Very low197 Ų197139.5 Ų139.592%0.92178%0.778SS**  178.4152.4102.1-93-177.6173.600112.3
350K25Very low28.3Very low200 Ų200142 Ų14287%0.8779%0.785SS**  trans-43.8147.3-179-71.3160167.4171.60116.3
351S32.2Very low28.1Very low106 Ų106142.8 Ų142.874%0.74179%0.789SS**  168.9132.3104.4590000112.4
352D25.1Very low27.3Very low162 Ų162147 Ų14787%0.86680%0.8SS**  trans-66.5130.7174-53.6-70000112.6
353I33.1Very low27.1Very low169 Ų169146.4 Ų146.487%0.86780%0.796SS**  trans-137.2126.8154.6-60.7-177.2000109.4
354N26.3Very low26.8Very low124 Ų124144.9 Ų144.966%0.66379%0.791SS**  trans-112.6156.4-169.8-170.712000109.4
355N25.4Very low26.8Very low126 Ų126147.4 Ų147.467%0.67479%0.791SS**  trans69.7121.9158.7-59.7-39.8000120.9
356N30Very low26.5Very low142 Ų142149.8 Ų149.876%0.75979%0.789SS**  159.9115.6110.7-105.8-19.3000108.9
357L23.9Very low26.3Very low144 Ų144152.5 Ų152.575%0.75480%0.795SS**  52.2103.681.8-86162.3000115.1
358N28.2Very low26.2Very low145 Ų145150.1 Ų150.178%0.77580%0.795SS**  166.9119.2126.1-97.8-20.3000109.2
359S28Very low26Very low100 Ų100154.3 Ų154.370%0.69980%0.802SS**  90.5125.472.7-65.20000112.1
360Q24.8Very low25.9Very low181 Ų181153.7 Ų153.785%0.84680%0.798SS**  trans-62.2143.3-179.9-74139.3-80.500113.2
361D29.6Very low25.9Very low163 Ų163152.2 Ų152.287%0.87279%0.794SS**  trans-127.2118.8155.8-86.3-38.6000110.2
362Q22.2Very low25.7Very low177 Ų177155.1 Ų155.183%0.82780%0.796SS**  trans-84.5132.8164.5-73.2174.63.800108.5
363L27.7Very low25.6Very low145 Ų145155.6 Ų155.676%0.75979%0.793SS**  trans-139.1105.2159-75.4175.6000110.4Y365L363-Y365 HydrophobicContact CB-CD2 4.46Å; L363-Y365 HydrophobicContact CB-CE2 4.21Å; L363-Y365 HydrophobicContact CD1-CE2 4.46Å; L363-Y365 HydrophobicContact CD2-CE2 4.41Å
364S20.9Very low25.3Very low113 Ų113153.2 Ų153.279%0.7979%0.791SS**  trans-81.1131.6163.8520000110.1
365Y25Very low25.2Very low205 Ų205152.1 Ų152.180%0.80479%0.793SS**  trans-128.3115.4166.7-83.7-83.9000110.5L363L363-Y365 HydrophobicContact CB-CD2 4.46Å; L363-Y365 HydrophobicContact CB-CE2 4.21Å; L363-Y365 HydrophobicContact CD1-CE2 4.46Å; L363-Y365 HydrophobicContact CD2-CE2 4.41Å
366Q20.6Very low25.1Very low171 Ų171153.8 Ų153.880%0.79980%0.801SS**  trans-94.5159.9165.6-79.9-177.5-60.800110.2
367N23.3Very low25Very low164 Ų164156.1 Ų156.188%0.87781%0.807SS**  trans110.3126.5153.7-60.1-36.5000116.7
368G24.7Very low25.1Very low73 Ų73157.8 Ų157.875%0.75381%0.811SS**  trans150.562.8155.500000116.5
369Y21.1Very low24.9Very low234 Ų234156 Ų15692%0.91881%0.81SS**  trans-70.5127.4162.7-72.9-90.3000109.8
370H27.4Very low24.8Very low184 Ų184158.8 Ų158.885%0.85281%0.812SS**  trans-136.5115.2161.5-102.659.2000110.1
371H24.3Very low24.9Very low169 Ų169158.6 Ų158.678%0.78281%0.811SS**  trans-93.8119.5-179.1-139.6-21000107.3
372H27.2Very low24.7Very low167 Ų167159 Ų15977%0.77381%0.808SS**  trans-127.5104.3164.1-103.8-78.3000108.9
373Q24.1Very low24.9Very low172 Ų172156.7 Ų156.780%0.80481%0.806SS**  trans-78.2132.4163.1-77.7179.1-12.900108.3
374S27.7Very low24.8Very low118 Ų118156.1 Ų156.183%0.82581%0.809SS**  trans-134.8127.4163.8-61.80000107.8
375S22.6Very low25.1Very low101 Ų101156.2 Ų156.271%0.70681%0.809SS**  trans-110.5148.2-162.957.40000110.8
376L23.6Very low25.5Very low161 Ų161151.2 Ų151.284%0.84380%0.802SS**  trans62.7117.8158.8-7784.4000118.8
377Q27.3Very low26Very low192 Ų192148.9 Ų148.990%0.89780%0.802SS**  -165.3114107.3-150.5119.119.400110
378Q26.1Very low26.3Very low179 Ų179150.6 Ų150.684%0.83680%0.802SS**  trans-89.4125.4166.9-78.51755.500108.6
379S24.9Very low26.4Very low108 Ų108152.4 Ų152.476%0.75580%0.803SS**  trans-116108.3164.756.10000108.8
380Q25.4Very low26.6Very low157 Ų157149.4 Ų149.473%0.73480%0.802SS**  trans-77.2126.2172.4-61.3177.530.400108.9
381Q27.9Very low26.8Very low177 Ų177145.8 Ų145.883%0.82780%0.797SS**  trans-127.4103.9159.9-73.1-175.32400108
382Q23.8Very low27.1Very low171 Ų171143.8 Ų143.880%0.79980%0.799SS**  trans-76.2121.7165-711711.200107.4
383T26.5Very low27.2Very low129 Ų129144.1 Ų144.179%0.79181%0.805SS**  trans-124.6123.316255.20000108
384T25.5Very low27.4Very low134 Ų134140 Ų14082%0.82280%0.8SS**PPolyproline II helixtrans-83.3139.2-17543.80000110
385S27.9Very low27.3Very low114 Ų114142.1 Ų142.180%0.79780%0.802SS**PPolyproline II helixtrans-76.1144.7173.243.80000111.6
386P33.3Very low27.6Very low100 Ų100145.7 Ų145.765%0.64981%0.812SS**PPolyproline II helixtrans-90145.5167.633.1-28.9000111.5
387P31Very low27.6Very low122 Ų122142.1 Ų142.179%0.79280%0.8SS**PPolyproline II helixtrans-89.7123.8175.833.5-28.2000110.4
388F29.3Very low27.5Very low200 Ų200139.2 Ų139.288%0.87779%0.791SS**  trans-94.9105.1165.8-83.9-79.2000109.3
389S27.3Very low27.7Very low112 Ų112138.7 Ų138.778%0.78379%0.794SS**  trans-93.8131.7162.761.10000109.1
390L26.6Very low27.7Very low171 Ų171141.5 Ų141.590%0.89580%0.795SS**  trans-132.5128.6164.1-89.9164.9000108.1
391S29.9Very low27.7Very low107 Ų107145.9 Ų145.975%0.74881%0.805SS**PPolyproline II helixtrans-73.3165-173.9-27.50000113
392P30.2Very low27.5Very low128 Ų128144.2 Ų144.283%0.83180%0.802SS**PPolyproline II helixtrans-83.3144.3-171.89.58.1000112.7
393I30Very low27.9Very low173 Ų173141.6 Ų141.689%0.88780%0.802SS**PPolyproline II helixtrans-90.1131.5174-66.9173.5000109.5
394A28.5Very low27.8Very low85 Ų85142.8 Ų142.870%0.70280%0.804SS**PPolyproline II helixtrans-72.6158-173.600000114.9
395D25.1Very low28.1Very low164 Ų164144.5 Ų144.588%0.87781%0.806SS**PPolyproline II helixtrans-54.1134.9177.6-58.7-60.5000114.4
396I28.5Very low28Very low175 Ų175146.5 Ų146.590%0.89780%0.803SS**  trans-106.1107.8157.9-65.7175.4000107.4
397S24.3Very low27.7Very low86 Ų86150.6 Ų150.660%0.60181%0.813SS**  trans-90.9157.6172.6175.20000111.1
398N25.9Very low27.6Very low131 Ų131153.5 Ų153.570%0.70182%0.816SS**  trans78.6105.3163-64.4-30000118.8
399N29Very low27.3Very low168 Ų168151.6 Ų151.690%0.89881%0.814SS**  -158.1113.7115.4-99.6-36.8000112.2
400Q25.1Very low27.2Very low168 Ų168153.6 Ų153.679%0.78582%0.816SS**  trans-70.8132164.3-68.6170.9-600109.6
401R25.7Very low27.2Very low248 Ų248153.1 Ų153.194%0.93682%0.815SS**  trans-135.4109.5146.9-84.1-168.9-166.7163.66109.7
402N25Very low26.9Very low143 Ų143150.7 Ų150.777%0.76581%0.806SS**  trans-59.5147.2161.9-69.5-29000111
403S30.8Very low26.9Very low116 Ų116152.2 Ų152.281%0.81181%0.807SS**  173.6136.7108.437.10000111.3
404N24.6Very low26.8Very low153 Ų153151.5 Ų151.582%0.81881%0.805SS**  trans-70.2141.3-178.8-57.4-51.1000111
405I31.6Very low26.9Very low171 Ų171153.8 Ų153.888%0.87781%0.806SS**  trans-117.2115.3152.4-67.9178.2000107.4
406E26.5Very low26.8Very low155 Ų155152.8 Ų152.872%0.72480%0.799SS**  trans-64.5132.1179.6-67.6159.7141.200111.3
407Q26.2Very low26.6Very low186 Ų186154.5 Ų154.587%0.86980%0.796SS**  40.995.8108.9-61.6-178.241.500115.2
408Q28.5Very low26.8Very low183 Ų183158.4 Ų158.486%0.85580%0.804SS**  trans-123.198.8156.5-72-174.720.900109.9
409L24.9Very low26.7Very low160 Ų160161 Ų16184%0.83881%0.812SS**  42.2104129.1-67.6154.9000119.2
410N23.6Very low26.7Very low154 Ų154160.5 Ų160.582%0.82481%0.81SS**  40.1106.2111.7-1215.3000118
411N27.9Very low26.7Very low162 Ų162158.2 Ų158.287%0.86681%0.812SS**  -166.7126.2123.5-132.6-3.2000111.2
412G22.8Very low26.8Very low55 Ų55152.4 Ų152.457%0.56780%0.804SS**  trans-71.5156.617400000112.2
413N31.1Very low26.7Very low160 Ų160150.7 Ų150.786%0.85680%0.803SS**  trans-160.3105.1146.1-89-30.2000108.9N415N413-N415 PolarHBondContact O-N 3.5Å
414N27.4Very low26.8Very low158 Ų158150.9 Ų150.985%0.84580%0.802SS**  trans-66.9120.3165.2-69-47.2000108.4
415N29.5Very low26.9Very low134 Ų134152.5 Ų152.572%0.71780%0.804SS**  trans-127.8105.7161.3-97.7-24.6000110N413 Y417N413-N415 PolarHBondContact O-N 3.5Å; N415-Y417 HydrophobicContact CB-CE2 4.28Å; N415-Y417 PolarHBondContact O-N 2.87Å
416I23.7Very low26.7Very low143 Ų143151.5 Ų151.573%0.73380%0.801SS**  trans-61.8113.9167.5-70.9156.4000107.5
417Y25Very low26.7Very low210 Ų210147.2 Ų147.282%0.82479%0.788SS**  trans-107.1122.9165.4-87.1-82.3000109.6N415N415-Y417 HydrophobicContact CB-CE2 4.28Å; N415-Y417 PolarHBondContact O-N 2.87Å
418H27.5Very low26.6Very low168 Ų168147.3 Ų147.378%0.77879%0.791SS**  trans-62.5148.1-176.6-84.2-95.7000113.4N420H418-N420 PolarHBondContact O-N 3.38Å
419Q24.8Very low26.7Very low187 Ų187147.9 Ų147.987%0.87479%0.786SS**  trans-64123.2168.6-57.5-157.2-13.600110.8
420N28.5Very low26.9Very low157 Ų157149.1 Ų149.184%0.8479%0.785SS**  trans-115.9107.3161.3-89-16.6000108.3H418H418-N420 PolarHBondContact O-N 3.38Å
421S24.3Very low27.2Very low120 Ų120150 Ų15084%0.83979%0.789SS**  trans-78.1113.4166.645.80000109
422V27.9Very low27Very low125 Ų125146.1 Ų146.176%0.75878%0.779SS**  trans-131107.6162.9-178.10000107.4P424V422-P424 WeakPolarHBondContact O-CD 3.44Å
423S24.4Very low27.3Very low108 Ų108148.7 Ų148.776%0.75579%0.788SS**  trans-63.6123.9168.1-76.60000109.6
424P31Very low27Very low120 Ų120146.4 Ų146.478%0.77979%0.785SS**  trans-94.692.4161.7181.5000107.3V422 N426V422-P424 WeakPolarHBondContact O-CD 3.44Å; P424-N426 PolarHBondContact O-N 3.42Å
425Q27.1Very low27.1Very low186 Ų186145 Ų14587%0.86979%0.786SS**  trans-68.4101.9151.4-72.7-172-12.100106.1
426N27.5Very low27.1Very low150 Ų150145.7 Ų145.780%0.80279%0.788SS**  trans-148.9107.4161.2-132.2-6.3000113.4P424P424-N426 PolarHBondContact O-N 3.42Å
427S27.3Very low27.1Very low66 Ų66145 Ų14546%0.46279%0.786SS.*  trans57.194.2136-1500000118.9Y429S427-Y429 PolarHBondContact O-N 3.45Å; S427-Y429 WeakPolarHBondContact OG-CE2 3.43Å
428M23.6Very low27.6Very low188 Ų188140 Ų14093%0.92678%0.782SS**  trans-50.589.7152.2-175.6-173.6-52.800112
429Y30.9Very low27.5Very low195 Ų195136.6 Ų136.677%0.76578%0.777SS**  trans-96.192.7161.4-72.7-75.6000110.5S427 L431S427-Y429 PolarHBondContact O-N 3.45Å; S427-Y429 WeakPolarHBondContact OG-CE2 3.43Å; Y429-L431 PolarHBondContact O-N 3.17Å
430K29.1Very low28Very low186 Ų186132.7 Ų132.781%0.80977%0.768SS**  trans198.7134.9-168.9175.8-174.3176.90115.3
431L30Very low28Very low173 Ų173133.1 Ų133.191%0.90677%0.77SS**  trans-104.792.8151.5-77.8171.8000107.9Y429Y429-L431 PolarHBondContact O-N 3.17Å
432A23.5Very low28.6Very low79 Ų79132.6 Ų132.665%0.65376%0.762SS**  trans-74.5119.4160.300000107.3
433S28.8Very low29Very low109 Ų109134.8 Ų134.876%0.76276%0.764SS**  trans-148.3111.3157-77.90000108.4C435S433-C435 PolarHBondContact O-N 3.08Å
434S24.6Very low29.6Very low112 Ų112136.3 Ų136.378%0.78377%0.768SS**  trans-60.1115.1175.647.60000111.9
435C30.7Very low30Very low130 Ų130138.1 Ų138.188%0.87877%0.766SS**  trans-96.790.6154.622.10000108.6S433S433-C435 PolarHBondContact O-N 3.08Å
436I29.5Very low30.6Very low147 Ų147136.2 Ų136.275%0.75476%0.762SS**  trans-16.1119.4159.3-33.3176.5000114.3S438I436-S438 PolarHBondContact O-N 3.14Å
437D23.9Very low31.3Very low130 Ų130138 Ų13870%0.69576%0.762SS**  trans-60.7118.6165.2179.87.7000109.8S439D437-S439 PolarHBondContact OD1-N 3.48Å; D437-S439 PolarHBondContact OD1-OG 3.13Å
438S34.3Very low32.3Very low105 Ų105146 Ų14673%0.73478%0.782SS**  trans-132.783.6163.3-66.40000106.1I436 P440I436-S438 PolarHBondContact O-N 3.14Å; S438-P440 WeakPolarHBondContact O-CD 3.09Å
439S26.5Very low33.7Very low95 Ų95140.8 Ų140.866%0.66476%0.758SS**  trans-71.3117.5168.8-680000110.5D437D437-S439 PolarHBondContact OD1-N 3.48Å; D437-S439 PolarHBondContact OD1-OG 3.13Å
440P34.9Very low35Very low106 Ų106134.4 Ų134.469%0.68874%0.742SS**  trans-102.3116.6144.933.3-25.7000107.5S438 T442S438-P440 WeakPolarHBondContact O-CD 3.09Å; P440-T442 PolarHBondContact O-N 3.12Å
441N29Very low37.2Very low165 Ų165132.5 Ų132.588%0.88274%0.741SS**  trans-51.6107.7162.7-73.3-29.9000108.4
442T35.9Very low40.2Very low110 Ų110126.5 Ų126.568%0.67571%0.709SS**  trans-133.9104.4164-40.10000105.9P440 V444P440-T442 PolarHBondContact O-N 3.12Å; T442-V444 WeakPolarHBondContact O-CG2 3.19Å; T442-V444 PolarHBondContact O-N 2.73Å
443E35.7Very low43.5Very low171 Ų171125.9 Ų125.980%0.79969%0.692SS**  trans-40.3107.8171.8-66.7165.216700109.1H445E443-H445 PolarHBondContact O-N 3.43Å
444V37.1Very low46.7Very low139 Ų139120.7 Ų120.784%0.84266%0.656SS**  trans-77.262.8174.7-172.20000107.1T442 N446T442-V444 WeakPolarHBondContact O-CG2 3.19Å; T442-V444 PolarHBondContact O-N 2.73Å; V444-N446 PolarHBondContact O-N 3.05Å
445H40.4Very low50.1Low158 Ų158116.9 Ų116.973%0.73163%0.628SS**  trans-72.3121160.6-91.3-54.3000107E443 K447E443-H445 PolarHBondContact O-N 3.43Å; H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 2.87Å
446N40.1Very low53.2Low147 Ų147110.8 Ų110.879%0.78659%0.587SS**  trans-46.584.7178.1-94.9-29.4000112.4V444 R448V444-N446 PolarHBondContact O-N 3.05Å; N446-R448 PolarHBondContact O-N 3.3Å; N446-R448 VanDerWaalsContact O-N 3.11Å
447K41.1Very low56.3Low186 Ų186107.5 Ų107.581%0.80957%0.57SS**THydrogen-bonded Turntrans-80.115.6-178-146.2176.7-173174.80113.5H445H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 2.87Å
448R48.3Very low59.5Low235 Ų235105.8 Ų105.889%0.88756%0.555SS**THydrogen-bonded Turntrans-93.2-10.6-175-79.1-165.6176.9106.90114.8N446N446-R448 PolarHBondContact O-N 3.3Å; N446-R448 VanDerWaalsContact O-N 3.11Å
449N52.4Low62.4Low79 Ų79105.5 Ų105.542%0.42255%0.545SS..SBendtrans-115.20.2-175.1-69.4-6.9000115.4N451 L452N449-N451 PolarHBondContact O-N 3.04Å; N449-L452 HydrophobicContact CB-CD1 4.47Å; N449-L452 PolarHBondContact O-N 3.46Å
450S58.9Low65.6Low61 Ų61101.9 Ų101.943%0.42752%0.517SS..THydrogen-bonded Turntrans-70.4-4.6-165.8700000116.2
451N75.8Confident68.4Low145 Ų145102.7 Ų102.778%0.77552%0.515SS*.THydrogen-bonded Turntrans-117.916.9-175.2-70.318.1000113.9N449 K453N449-N451 PolarHBondContact O-N 3.04Å; N451-K453 PolarHBondContact O-N 3.03Å
452L91.9Very high71.4Confident47 Ų4796.4 Ų96.425%0.24649%0.486CS..  trans-71.2129.2175-69.6175.2000110.5N449 D478 I479 Q481 L506N449-L452 HydrophobicContact CB-CD1 4.47Å; N449-L452 PolarHBondContact O-N 3.46Å; L452-D478 PolarHBondContact O-N 3.33Å; L452-I479 HydrophobicContact CB-CB 3.83Å; L452-I479 PolarHBondContact O-N 3.44Å; L452-Q481 HydrophobicContact CD1-CG 4.44Å; L452-L506 HydrophobicContact CB-CD2 4.34Å; L452-L506 HydrophobicContact CD2-CD2 4.37Å
453K93.5Very high73.8Confident66 Ų6697.5 Ų97.529%0.28749%0.488SS..EExtended strand (participates in β ladder)trans-120144.7173-176.7-179.3178.1-178.10109.4N451 H475 I476 F477 M507N451-K453 PolarHBondContact O-N 3.03Å; K453-H475 VanDerWaalsContact CE-CG 3.44Å; K453-H475 VanDerWaalsContact CE-ND1 3.26Å; K453-H475 WeakPolarHBondContact CE-ND1 3.43Å; K453-I476 CarbonylContact C-O 3.48Å; K453-I476 WeakPolarHBondContact CA-O 3.37Å; K453-I476 WeakPolarHBondContact CG-O 3.36Å; K453-F477 HydrophobicContact CD-CD1 3.91Å; K453-F477 HydrophobicContact CD-CE1 3.55Å; K453-F477 HydrophobicContact CD-CZ 4.44Å; K453-F477 HydrophobicContact CG-CD1 3.92Å; K453-F477 HydrophobicContact CG-CE1 4Å; K453-M507 HydrophobicContact CD-SD 4.43Å; K453-M507 PolarHBondContact O-N 3.24Å
454A96.2Very high76.2Confident0 Ų092.5 Ų92.50%046%0.464CS..EExtended strand (participates in β ladder)trans-131.5159.8172.100000111.6H475 I476 I479 V504 K505 L506A454-H475 WeakPolarHBondContact O-CA 3.42Å; A454-H475 PolarHBondContact O-ND1 3.18Å; A454-I476 PolarHBondContact N-O 3.23Å; A454-I476 PolarHBondContact O-N 3.44Å; A454-I479 HydrophobicContact CB-CD1 3.36Å; A454-V504 HydrophobicContact CB-CB 3.82Å; A454-V504 HydrophobicContact CB-CG2 3.81Å; A454-K505 CarbonylContact C-O 3.53Å; A454-K505 VanDerWaalsContact CA-O 3.23Å; A454-K505 WeakPolarHBondContact CA-O 3.36Å; A454-K505 WeakPolarHBondContact CB-O 3.37Å; A454-L506 HydrophobicContact CB-CD2 4.33Å
455V96.5Very high78.6Confident33 Ų3394.4 Ų94.420%0.247%0.47CS..EExtended strand (participates in β ladder)trans-107.3132.3166620000109L457 E474 V504 K505 M507V455-L457 PolarHBondContact O-N 2.91Å; V455-E474 CarbonylContact C-O 3.59Å; V455-E474 WeakPolarHBondContact CA-O 3.2Å; V455-V504 CarbonylContact O-C 3.52Å; V455-V504 WeakPolarHBondContact O-CA 3.26Å; V455-K505 HydrophobicContact CG1-CB 4.03Å; V455-K505 PolarHBondContact N-O 2.98Å; V455-K505 PolarHBondContact O-N 3.11Å; V455-M507 HydrophobicContact CB-CG 4.32Å; V455-M507 HydrophobicContact CB-SD 3.99Å; V455-M507 HydrophobicContact CG1-CG 4.2Å; V455-M507 HydrophobicContact CG1-SD 4.38Å
456C95.7Very high81.1Confident2 Ų290.4 Ų90.41%0.01445%0.454CS..EExtended strand (participates in β ladder)trans-69.4128.8177.1-550000109.5F470 R471 K473 E474C456-F470 HydrophobicContact CB-CD2 3.51Å; C456-F470 HydrophobicContact CB-CE2 3.8Å; C456-F470 HydrophobicContact CB-CG 4.41Å; C456-F470 WeakPolarHBondContact SG-CD2 3.43Å; C456-F470 VanDerWaalsContact SG-CG 3.59Å; C456-R471 VanDerWaalsContact CB-O 3.22Å; C456-R471 WeakPolarHBondContact CB-O 3.41Å; C456-K473 WeakPolarHBondContact O-CA 3.38Å; C456-K473 PolarHBondContact O-N 3.45Å; C456-E474 PolarHBondContact N-O 2.92Å; C456-E474 PolarHBondContact SG-O 3.16Å; C456-E474 VanDerWaalsContact SG-O 3.42Å
457L93.6Very high83.7Confident78 Ų7884.9 Ų84.941%0.40842%0.423SS..SBendtrans-86.1-31.1177.8-63177.9000111.4V455 Y503 K505V455-L457 PolarHBondContact O-N 2.91Å; L457-Y503 WeakPolarHBondContact CB-O 3.37Å; L457-Y503 PolarHBondContact N-O 3.15Å; L457-K505 HydrophobicContact CD1-CB 4.16Å; L457-K505 HydrophobicContact CD2-CB 3.83Å; L457-K505 HydrophobicContact CD2-CD 4.44Å; L457-K505 HydrophobicContact CG-CB 4.05Å
458Y92.2Very high86.3Confident94 Ų9476.1 Ų76.137%0.36939%0.385SS..SBendtrans-138.7164.3-174.8-50.8-75.2000110.6P150 F470P150-Y458 HydrophobicContact CG-CD1 4.42Å; P150-Y458 HydrophobicContact CG-CD2 3.88Å; P150-Y458 HydrophobicContact CG-CE1 3.99Å; P150-Y458 HydrophobicContact CG-CE2 3.4Å; P150-Y458 HydrophobicContact CG-CG 4.37Å; P150-Y458 VanDerWaalsContact CG-CZ 3.45Å; Y458-F470 WeakPolarHBondContact O-CE2 3.44Å
459D94Very high88.5Confident98 Ų9867.5 Ų67.552%0.52436%0.361SS..  trans-70.8139.6169.6-63.6-11.3000109.6F470 R471 A472 Y503D459-F470 WeakPolarHBondContact CA-O 3.49Å; D459-R471 VanDerWaalsContact OD1-CA 3.27Å; D459-R471 WeakPolarHBondContact OD1-CA 3.25Å; D459-A472 WeakPolarHBondContact OD1-CB 3.46Å; D459-A472 PolarHBondContact OD1-N 3.22Å; D459-Y503 WeakPolarHBondContact O-CE1 3.11Å
460Y94.5Very high90.6Very high20 Ų2064.1 Ų64.18%0.07834%0.343CS..BIsolated β-bridgetrans-134.6128.1172.7-176-100.3000109.9E467 L468 S469 F470 W486 P500 Y503Y460-E467 PolarHBondContact OH-OE2 3.37Å; Y460-L468 WeakPolarHBondContact CD1-O 3.49Å; Y460-S469 CarbonylContact O-C 3.6Å; Y460-S469 VanDerWaalsContact O-CA 3.26Å; Y460-S469 WeakPolarHBondContact O-CA 3.31Å; Y460-F470 VanDerWaalsContact CB-CZ 3.43Å; Y460-F470 HydrophobicContact CD1-CE1 4.07Å; Y460-F470 HydrophobicContact CD1-CZ 4.36Å; Y460-F470 HydrophobicContact CG-CE1 4.25Å; Y460-F470 HydrophobicContact CG-CZ 4.08Å; Y460-F470 PolarHBondContact N-O 3.11Å; Y460-F470 PolarHBondContact O-N 3.31Å; Y460-W486 WeakPolarHBondContact OH-CH2 3.45Å; Y460-P500 HydrophobicContact CD2-CG 3.67Å; Y460-P500 HydrophobicContact CE2-CG 3.55Å; Y460-P500 HydrophobicContact CG-CG 4.27Å; Y460-Y503 HydrophobicContact CD2-CD1 4.06Å; Y460-Y503 AromaticContact CD2-CE1 3.97Å; Y460-Y503 HydrophobicContact CD2-CE1 3.97Å; Y460-Y503 HydrophobicContact CG-CD1 4.44Å
461N93.3Very high92.3Very high122 Ų12269.6 Ų69.665%0.65235%0.354SS*.  trans-106.6124.6175.2-69.529.4000108.5N463N461-N463 PolarHBondContact O-N 3.01Å
462A92Very high93.2Very high34 Ų3464.5 Ų64.528%0.28133%0.332SS..  trans-58.8129.9175.800000110.7E467 S469A462-E467 WeakPolarHBondContact CA-OE2 3.3Å; A462-E467 HydrophobicContact CB-CB 3.63Å; A462-S469 WeakPolarHBondContact CB-OG 3.48Å; A462-S469 PolarHBondContact N-OG 3.03Å
463N86.7Confident93.2Very high133 Ų13370.7 Ų70.771%0.71136%0.357SS*.SBendtrans-94.9-25.7175.8-62.8-52.9000112.2N461 E467N461-N463 PolarHBondContact O-N 3.01Å; N463-E467 PolarHBondContact N-OE2 3.45Å
464E85.6Confident93.2Very high65 Ų6571.2 Ų71.230%0.30436%0.361SS..SBendtrans-122161.4177.1-62.4-167.1-163.300110.8D466 E467E464-D466 VanDerWaalsContact CB-OD1 3.24Å; E464-D466 WeakPolarHBondContact CB-OD1 3.4Å; E464-D466 PolarHBondContact O-N 2.91Å; E464-E467 HydrophobicContact CB-CG 4.31Å; E464-E467 PolarHBondContact O-N 3.31Å
465D88.9Confident93.1Very high180 Ų18074.4 Ų74.496%0.96338%0.375SS*.THydrogen-bonded Turntrans-71.3-16.5-174.9-61.9-29.9000113.2
466D91.5Very high93.1Very high73 Ų7372.9 Ų72.939%0.3937%0.366SS..THydrogen-bonded Turntrans-92.71.917665.2-29.1000113.3E464 G497 L498E464-D466 VanDerWaalsContact CB-OD1 3.24Å; E464-D466 WeakPolarHBondContact CB-OD1 3.4Å; E464-D466 PolarHBondContact O-N 2.91Å; D466-G497 CarbonylContact O-C 3.6Å; D466-G497 WeakPolarHBondContact O-CA 3.48Å; D466-L498 PolarHBondContact O-N 3.48Å
467E95Very high93.1Very high31 Ų3176.3 Ų76.315%0.14538%0.381CS..BIsolated β-bridgetrans-96154.6177.4-67.2179.9-167.500112.9Y460 A462 N463 E464 W486 L498Y460-E467 PolarHBondContact OH-OE2 3.37Å; A462-E467 WeakPolarHBondContact CA-OE2 3.3Å; A462-E467 HydrophobicContact CB-CB 3.63Å; N463-E467 PolarHBondContact N-OE2 3.45Å; E464-E467 HydrophobicContact CB-CG 4.31Å; E464-E467 PolarHBondContact O-N 3.31Å; E467-W486 HydrophobicContact CG-CZ3 4.24Å; E467-L498 CarbonylContact C-O 3.58Å; E467-L498 VanDerWaalsContact CA-O 3.22Å; E467-L498 WeakPolarHBondContact CA-O 3.42Å; E467-L498 WeakPolarHBondContact CB-O 3.38Å; E467-L498 HydrophobicContact CG-CB 4.45Å
468L95.6Very high93Very high2 Ų276.4 Ų76.41%0.0138%0.382CS..  trans-104.7117.5-179.4-173.766.4000111.1Y460 F470 I476 N491 Q495 L498 F499Y460-L468 WeakPolarHBondContact CD1-O 3.49Å; L468-F470 HydrophobicContact CG-CD1 4.48Å; L468-F470 WeakPolarHBondContact O-CD1 3.39Å; L468-I476 HydrophobicContact CD2-CD1 4.17Å; L468-I476 HydrophobicContact CD2-CG1 4.45Å; L468-I476 HydrophobicContact CD2-CG2 4.27Å; L468-N491 HydrophobicContact CD1-CB 4.08Å; L468-N491 HydrophobicContact CD2-CB 4.17Å; L468-N491 HydrophobicContact CG-CB 4.48Å; L468-Q495 HydrophobicContact CD1-CB 3.76Å; L468-Q495 WeakPolarHBondContact CD1-O 3.44Å; L468-L498 PolarHBondContact N-O 2.97Å; L468-F499 HydrophobicContact CD2-CD1 4.31Å
469S94.8Very high93.1Very high54 Ų5472 Ų7238%0.37837%0.365SS..  trans-81.1141.8170.7-58.70000111.4Y460 A462Y460-S469 CarbonylContact O-C 3.6Å; Y460-S469 VanDerWaalsContact O-CA 3.26Å; Y460-S469 WeakPolarHBondContact O-CA 3.31Å; A462-S469 WeakPolarHBondContact CB-OG 3.48Å; A462-S469 PolarHBondContact N-OG 3.03Å
470F96Very high93.1Very high8 Ų872.5 Ų72.54%0.03536%0.364CS..BIsolated β-bridgetrans-156.1162.7175.551.7-97.4000111.8C456 Y458 D459 Y460 L468 E474 I476 F499 V504C456-F470 HydrophobicContact CB-CD2 3.51Å; C456-F470 HydrophobicContact CB-CE2 3.8Å; C456-F470 HydrophobicContact CB-CG 4.41Å; C456-F470 WeakPolarHBondContact SG-CD2 3.43Å; C456-F470 VanDerWaalsContact SG-CG 3.59Å; Y458-F470 WeakPolarHBondContact O-CE2 3.44Å; D459-F470 WeakPolarHBondContact CA-O 3.49Å; Y460-F470 VanDerWaalsContact CB-CZ 3.43Å; Y460-F470 HydrophobicContact CD1-CE1 4.07Å; Y460-F470 HydrophobicContact CD1-CZ 4.36Å; Y460-F470 HydrophobicContact CG-CE1 4.25Å; Y460-F470 HydrophobicContact CG-CZ 4.08Å; Y460-F470 PolarHBondContact N-O 3.11Å; Y460-F470 PolarHBondContact O-N 3.31Å; L468-F470 HydrophobicContact CG-CD1 4.48Å; L468-F470 WeakPolarHBondContact O-CD1 3.39Å; F470-E474 VanDerWaalsContact CA-OE2 3.31Å; F470-E474 WeakPolarHBondContact CA-OE2 3.46Å; F470-E474 WeakPolarHBondContact CB-OE2 3.46Å; F470-I476 HydrophobicContact CD1-CD1 3.67Å; F470-I476 HydrophobicContact CE1-CD1 3.74Å; F470-I476 HydrophobicContact CG-CD1 4.22Å; F470-I476 HydrophobicContact CZ-CD1 4.32Å; F470-F499 HydrophobicContact CE1-CB 3.55Å; F470-F499 HydrophobicContact CE1-CD2 4.28Å; F470-F499 AromaticContact CE1-CG 3.99Å; F470-F499 HydrophobicContact CE1-CG 3.99Å; F470-F499 HydrophobicContact CZ-CB 4.22Å; F470-F499 HydrophobicContact CZ-CD2 4.47Å; F470-V504 HydrophobicContact CE2-CG1 4.33Å; F470-V504 HydrophobicContact CZ-CG1 4.08Å
471R95.6Very high93Very high176 Ų17675.9 Ų75.966%0.66438%0.381SS*.  trans-101.7157.6173.9-60.8-177.2173.7-160.7-2.3112.2C456 D459 K473 E474C456-R471 VanDerWaalsContact CB-O 3.22Å; C456-R471 WeakPolarHBondContact CB-O 3.41Å; D459-R471 VanDerWaalsContact OD1-CA 3.27Å; D459-R471 WeakPolarHBondContact OD1-CA 3.25Å; R471-K473 PolarHBondContact O-N 2.8Å; R471-E474 HydrophobicContact CB-CG 4.09Å; R471-E474 VanDerWaalsContact N-CD 3.29Å; R471-E474 PolarHBondContact N-OE2 3.1Å; R471-E474 VanDerWaalsContact O-CB 3.25Å; R471-E474 WeakPolarHBondContact O-CB 3.41Å; R471-E474 WeakPolarHBondContact O-CG 3.42Å; R471-E474 PolarHBondContact O-N 2.85Å; R471-E474 VanDerWaalsContact O-N 3.08Å
472A93.7Very high92.6Very high39 Ų3974.9 Ų74.932%0.32237%0.374SS..THydrogen-bonded Turntrans-54.4138172.100000110.1D459 E474D459-A472 WeakPolarHBondContact OD1-CB 3.46Å; D459-A472 PolarHBondContact OD1-N 3.22Å; A472-E474 PolarHBondContact O-N 3.16Å
473K92.6Very high92.3Very high176 Ų17677.1 Ų77.177%0.76538%0.381SS*.THydrogen-bonded Turntrans71.31.7-175.2-49.9172.7-179.5170.80115.7C456 R471C456-K473 WeakPolarHBondContact O-CA 3.38Å; C456-K473 PolarHBondContact O-N 3.45Å; R471-K473 PolarHBondContact O-N 2.8Å
474E93.8Very high92.2Very high77 Ų7780.3 Ų80.336%0.3639%0.392SS..  trans-70.3168.1168.1-69.1-178.3174.200111.6V455 C456 F470 R471 A472V455-E474 CarbonylContact C-O 3.59Å; V455-E474 WeakPolarHBondContact CA-O 3.2Å; C456-E474 PolarHBondContact N-O 2.92Å; C456-E474 PolarHBondContact SG-O 3.16Å; C456-E474 VanDerWaalsContact SG-O 3.42Å; F470-E474 VanDerWaalsContact CA-OE2 3.31Å; F470-E474 WeakPolarHBondContact CA-OE2 3.46Å; F470-E474 WeakPolarHBondContact CB-OE2 3.46Å; R471-E474 HydrophobicContact CB-CG 4.09Å; R471-E474 VanDerWaalsContact N-CD 3.29Å; R471-E474 PolarHBondContact N-OE2 3.1Å; R471-E474 VanDerWaalsContact O-CB 3.25Å; R471-E474 WeakPolarHBondContact O-CB 3.41Å; R471-E474 WeakPolarHBondContact O-CG 3.42Å; R471-E474 PolarHBondContact O-N 2.85Å; R471-E474 VanDerWaalsContact O-N 3.08Å; A472-E474 PolarHBondContact O-N 3.16Å
475H94.7Very high92.3Very high67 Ų6778.7 Ų78.731%0.3139%0.393SS..EExtended strand (participates in β ladder)trans-117.2135.5-179.4-71-69.3000111.3K453 A454 F477 M507K453-H475 VanDerWaalsContact CE-CG 3.44Å; K453-H475 VanDerWaalsContact CE-ND1 3.26Å; K453-H475 WeakPolarHBondContact CE-ND1 3.43Å; A454-H475 WeakPolarHBondContact O-CA 3.42Å; A454-H475 PolarHBondContact O-ND1 3.18Å; H475-F477 HydrophobicContact CB-CE1 4.49Å; H475-F477 HydrophobicContact CB-CE2 3.83Å; H475-F477 HydrophobicContact CB-CZ 3.72Å; H475-M507 PolarHBondContact CE1-SD 2.95Å
476I96Very high92.6Very high1 Ų173 Ų731%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-111.9137.7172.5-54.1-179.4000108.4K453 A454 L468 F470 I479 R490 F499 V504K453-I476 CarbonylContact C-O 3.48Å; K453-I476 WeakPolarHBondContact CA-O 3.37Å; K453-I476 WeakPolarHBondContact CG-O 3.36Å; A454-I476 PolarHBondContact N-O 3.23Å; A454-I476 PolarHBondContact O-N 3.44Å; L468-I476 HydrophobicContact CD2-CD1 4.17Å; L468-I476 HydrophobicContact CD2-CG1 4.45Å; L468-I476 HydrophobicContact CD2-CG2 4.27Å; F470-I476 HydrophobicContact CD1-CD1 3.67Å; F470-I476 HydrophobicContact CE1-CD1 3.74Å; F470-I476 HydrophobicContact CG-CD1 4.22Å; F470-I476 HydrophobicContact CZ-CD1 4.32Å; I476-I479 HydrophobicContact CB-CD1 4.27Å; I476-I479 HydrophobicContact CB-CG1 4.45Å; I476-I479 HydrophobicContact CG2-CD1 4.23Å; I476-I479 HydrophobicContact CG2-CG1 3.9Å; I476-R490 WeakPolarHBondContact CA-O 3.47Å; I476-R490 WeakPolarHBondContact CG2-O 3.45Å; I476-F499 HydrophobicContact CD1-CD1 3.97Å; I476-F499 HydrophobicContact CD1-CD2 4.03Å; I476-F499 HydrophobicContact CD1-CE1 3.9Å; I476-F499 HydrophobicContact CD1-CE2 3.98Å; I476-F499 HydrophobicContact CD1-CG 4.04Å; I476-F499 HydrophobicContact CD1-CZ 3.9Å; I476-F499 HydrophobicContact CG2-CE1 3.7Å; I476-F499 HydrophobicContact CG2-CZ 3.92Å; I476-V504 HydrophobicContact CD1-CG1 3.97Å
477F94.6Very high92.8Very high75 Ų7570.8 Ų70.833%0.32934%0.344SS..EExtended strand (participates in β ladder)trans-120.2170-176.1-53.6-88.7000110.4K453 H475 I479 R490K453-F477 HydrophobicContact CD-CD1 3.91Å; K453-F477 HydrophobicContact CD-CE1 3.55Å; K453-F477 HydrophobicContact CD-CZ 4.44Å; K453-F477 HydrophobicContact CG-CD1 3.92Å; K453-F477 HydrophobicContact CG-CE1 4Å; H475-F477 HydrophobicContact CB-CE1 4.49Å; H475-F477 HydrophobicContact CB-CE2 3.83Å; H475-F477 HydrophobicContact CB-CZ 3.72Å; F477-I479 VanDerWaalsContact C-N 3.26Å; F477-I479 PolarHBondContact O-N 3.45Å; F477-R490 PolarHBondContact N-O 3.03Å; F477-R490 PolarHBondContact O-N 2.95Å
478D92.8Very high92.8Very high80 Ų8071.6 Ų71.643%0.42835%0.349SS..EExtended strand (participates in β ladder)trans50.844.4176.9-55.7-25.9000112.5L452 E480 R490L452-D478 PolarHBondContact O-N 3.33Å; D478-E480 PolarHBondContact O-N 3.19Å; D478-R490 IonicContact OD2-NH1 2.71Å
479I94.4Very high92.8Very high0 Ų071.6 Ų71.60%035%0.349CS..EExtended strand (participates in β ladder)trans-76.1124.4-171.2-59.9171.9000111.5L452 A454 I476 F477 W487 L488 F499 L506L452-I479 HydrophobicContact CB-CB 3.83Å; L452-I479 PolarHBondContact O-N 3.44Å; A454-I479 HydrophobicContact CB-CD1 3.36Å; I476-I479 HydrophobicContact CB-CD1 4.27Å; I476-I479 HydrophobicContact CB-CG1 4.45Å; I476-I479 HydrophobicContact CG2-CD1 4.23Å; I476-I479 HydrophobicContact CG2-CG1 3.9Å; F477-I479 VanDerWaalsContact C-N 3.26Å; F477-I479 PolarHBondContact O-N 3.45Å; I479-W487 HydrophobicContact CG2-CB 4.02Å; I479-W487 HydrophobicContact CG2-CD2 4.16Å; I479-W487 HydrophobicContact CG2-CE3 3.73Å; I479-W487 HydrophobicContact CG2-CG 4.33Å; I479-L488 CarbonylContact C-O 3.6Å; I479-L488 VanDerWaalsContact CA-O 3.31Å; I479-L488 WeakPolarHBondContact CA-O 3.4Å; I479-F499 HydrophobicContact CD1-CZ 4.27Å; I479-F499 HydrophobicContact CG1-CZ 4.19Å; I479-F499 HydrophobicContact CG2-CZ 4.12Å; I479-L506 HydrophobicContact CD1-CD2 4.26Å
480E93.4Very high92.8Very high110 Ų11074.2 Ų74.251%0.51435%0.351SS..EExtended strand (participates in β ladder)trans-108.9119.9169.8-63.1-172.8-177.500110.6D478 I482 W487 L488D478-E480 PolarHBondContact O-N 3.19Å; E480-I482 PolarHBondContact O-N 3.17Å; E480-I482 VanDerWaalsContact O-N 3.11Å; E480-W487 CarbonylContact O-C 3.52Å; E480-W487 WeakPolarHBondContact O-CA 3.39Å; E480-L488 HydrophobicContact CB-CB 4.33Å; E480-L488 PolarHBondContact N-O 3.47Å; E480-L488 PolarHBondContact O-N 2.94Å
481Q91.9Very high92.7Very high91 Ų9174.2 Ų74.243%0.42535%0.352SS..  trans-83.386.6178.4-55-176.118.300110L452 W487L452-Q481 HydrophobicContact CD1-CG 4.44Å; Q481-W487 VanDerWaalsContact CA-CD1 3.48Å; Q481-W487 HydrophobicContact CB-CG 4.3Å; Q481-W487 HydrophobicContact CG-CD2 3.86Å; Q481-W487 HydrophobicContact CG-CG 4.07Å; Q481-W487 HydrophobicContact CG-CZ2 3.97Å
482I85.4Confident92.4Very high101 Ų10170 Ų7052%0.51836%0.355SS..  trans-67.6-44.6-177.7-61.6173.5000110.4E480 L488 L498E480-I482 PolarHBondContact O-N 3.17Å; E480-I482 VanDerWaalsContact O-N 3.11Å; I482-L488 HydrophobicContact CD1-CB 3.63Å; I482-L488 HydrophobicContact CD1-CD2 4.47Å; I482-L488 HydrophobicContact CG1-CB 4.25Å; I482-L498 HydrophobicContact CD1-CD2 3.55Å
483D85.8Confident92.3Very high80 Ų8074.9 Ų74.943%0.42838%0.375SS..SBendtrans-142.7-176.1174.171.248.9000112.5G485 W486 W487D483-G485 VanDerWaalsContact C-N 3.27Å; D483-G485 PolarHBondContact O-N 3.01Å; D483-G485 WeakPolarHBondContact OD1-CA 3.37Å; D483-G485 PolarHBondContact OD1-N 3.44Å; D483-W486 PolarHBondContact N-O 3.26Å; D483-W486 PolarHBondContact OD1-N 3.2Å; D483-W487 PolarHBondContact O-NE1 3.09Å
484E83.3Confident92.2Very high200 Ų20068.2 Ų68.294%0.93536%0.357SS*.SBendtrans-67.9-22.7-176.5-65.1-175.1173.600113.7
485G88.9Confident92.1Very high31 Ų3170 Ų7032%0.3237%0.365SS..SBendtrans-115.8-24-17500000114.8D483 P500 A501D483-G485 VanDerWaalsContact C-N 3.27Å; D483-G485 PolarHBondContact O-N 3.01Å; D483-G485 WeakPolarHBondContact OD1-CA 3.37Å; D483-G485 PolarHBondContact OD1-N 3.44Å; G485-P500 CarbonylContact O-C 3.6Å; G485-P500 VanDerWaalsContact O-CA 3.26Å; G485-P500 WeakPolarHBondContact O-CA 3.48Å; G485-A501 PolarHBondContact O-N 3.43Å
486W94.1Very high92.1Very high60 Ų6070.5 Ų70.523%0.22737%0.372CS..EExtended strand (participates in β ladder)trans-129.1122.8-173.2-68.891.1000111.2Y460 E467 D483 L498 F499Y460-W486 WeakPolarHBondContact OH-CH2 3.45Å; E467-W486 HydrophobicContact CG-CZ3 4.24Å; D483-W486 PolarHBondContact N-O 3.26Å; D483-W486 PolarHBondContact OD1-N 3.2Å; W486-L498 HydrophobicContact CE3-CB 4.14Å; W486-F499 WeakPolarHBondContact CA-O 3.42Å
487W95.7Very high92.1Very high27 Ų2770.5 Ų70.510%0.10237%0.373CS..EExtended strand (participates in β ladder)trans-115151.1177.4-62.4-9.8000110I479 E480 Q481 D483 L498 F499 A501 V504 L506I479-W487 HydrophobicContact CG2-CB 4.02Å; I479-W487 HydrophobicContact CG2-CD2 4.16Å; I479-W487 HydrophobicContact CG2-CE3 3.73Å; I479-W487 HydrophobicContact CG2-CG 4.33Å; E480-W487 CarbonylContact O-C 3.52Å; E480-W487 WeakPolarHBondContact O-CA 3.39Å; Q481-W487 VanDerWaalsContact CA-CD1 3.48Å; Q481-W487 HydrophobicContact CB-CG 4.3Å; Q481-W487 HydrophobicContact CG-CD2 3.86Å; Q481-W487 HydrophobicContact CG-CG 4.07Å; Q481-W487 HydrophobicContact CG-CZ2 3.97Å; D483-W487 PolarHBondContact O-NE1 3.09Å; W487-L498 CarbonylContact O-C 3.56Å; W487-L498 WeakPolarHBondContact O-CA 3.5Å; W487-F499 HydrophobicContact CB-CE1 4.23Å; W487-F499 HydrophobicContact CB-CE2 3.95Å; W487-F499 HydrophobicContact CB-CZ 3.76Å; W487-F499 HydrophobicContact CE3-CE2 4.07Å; W487-F499 HydrophobicContact CE3-CZ 4.32Å; W487-F499 PolarHBondContact N-O 3.47Å; W487-F499 WeakPolarHBondContact O-CD1 3.41Å; W487-F499 PolarHBondContact O-N 3.38Å; W487-A501 HydrophobicContact CD2-CB 3.66Å; W487-A501 HydrophobicContact CE3-CB 4.2Å; W487-A501 HydrophobicContact CG-CB 4.04Å; W487-A501 HydrophobicContact CH2-CB 4.28Å; W487-A501 HydrophobicContact CZ2-CB 3.75Å; W487-A501 HydrophobicContact CZ3-CB 4.48Å; W487-V504 HydrophobicContact CE3-CG2 3.97Å; W487-V504 HydrophobicContact CZ3-CG2 3.77Å; W487-L506 HydrophobicContact CH2-CD1 3.69Å; W487-L506 HydrophobicContact CH2-CD2 4.34Å; W487-L506 HydrophobicContact CH2-CG 3.87Å; W487-L506 HydrophobicContact CZ3-CD1 4.11Å; W487-L506 HydrophobicContact CZ3-CD2 3.9Å; W487-L506 HydrophobicContact CZ3-CG 3.8Å
488L95Very high92.2Very high48 Ų4868.9 Ų68.925%0.25137%0.367SS..EExtended strand (participates in β ladder)trans-98.9141.1170.7-174.776.2000108.3I479 E480 I482 V496 L498I479-L488 CarbonylContact C-O 3.6Å; I479-L488 VanDerWaalsContact CA-O 3.31Å; I479-L488 WeakPolarHBondContact CA-O 3.4Å; E480-L488 HydrophobicContact CB-CB 4.33Å; E480-L488 PolarHBondContact N-O 3.47Å; E480-L488 PolarHBondContact O-N 2.94Å; I482-L488 HydrophobicContact CD1-CB 3.63Å; I482-L488 HydrophobicContact CD1-CD2 4.47Å; I482-L488 HydrophobicContact CG1-CB 4.25Å; L488-V496 HydrophobicContact CD1-CG1 3.98Å; L488-V496 HydrophobicContact CD2-CG1 4.43Å; L488-V496 HydrophobicContact CG-CG1 4.08Å; L488-L498 HydrophobicContact CB-CD2 4Å; L488-L498 HydrophobicContact CD1-CD2 3.79Å; L488-L498 HydrophobicContact CD1-CG 4.26Å
489G95.4Very high92.3Very high2 Ų265 Ų652%0.02135%0.347CS..EExtended strand (participates in β ladder)trans-167.7-178.2174.200000112V496 G497G489-V496 VanDerWaalsContact O-CA 3.3Å; G489-V496 WeakPolarHBondContact O-CA 3.46Å; G489-G497 PolarHBondContact N-O 3.18Å; G489-G497 VanDerWaalsContact N-O 3.17Å; G489-G497 PolarHBondContact O-N 3.05Å; G489-G497 VanDerWaalsContact O-N 3.11Å
490R95.5Very high92.4Very high109 Ų10965.2 Ų65.241%0.41135%0.348SS..EExtended strand (participates in β ladder)trans-121.5130.8-173.6179.6177.1-85174.3-4111.3I476 F477 D478 Q495 V496I476-R490 WeakPolarHBondContact CA-O 3.47Å; I476-R490 WeakPolarHBondContact CG2-O 3.45Å; F477-R490 PolarHBondContact N-O 3.03Å; F477-R490 PolarHBondContact O-N 2.95Å; D478-R490 IonicContact OD2-NH1 2.71Å; R490-Q495 CarbonylContact C-O 3.54Å; R490-Q495 VanDerWaalsContact CA-O 3.23Å; R490-Q495 WeakPolarHBondContact CA-O 3.43Å; R490-V496 HydrophobicContact CB-CG2 4.05Å; R490-V496 HydrophobicContact CG-CG2 4.13Å
491N93.2Very high92.4Very high9 Ų960.6 Ų60.65%0.04833%0.329CS..  trans-81.7176.2172.169.43.3000112.1L468 D493 G494 Q495L468-N491 HydrophobicContact CD1-CB 4.08Å; L468-N491 HydrophobicContact CD2-CB 4.17Å; L468-N491 HydrophobicContact CG-CB 4.48Å; N491-D493 PolarHBondContact O-N 3.31Å; N491-D493 PolarHBondContact OD1-N 3.48Å; N491-D493 VanDerWaalsContact OD1-N 3.15Å; N491-G494 PolarHBondContact O-N 3.13Å; N491-G494 VanDerWaalsContact O-N 3.08Å; N491-G494 PolarHBondContact OD1-N 3.42Å; N491-G494 VanDerWaalsContact OD1-N 3.09Å; N491-Q495 PolarHBondContact N-O 2.88Å; N491-Q495 PolarHBondContact ND2-OE1 3.47Å; N491-Q495 WeakPolarHBondContact OD1-CB 3.34Å; N491-Q495 PolarHBondContact OD1-N 3.32Å; N491-Q495 PolarHBondContact OD1-O 3.45Å
492A90.1Very high92.5Very high88 Ų8860.3 Ų60.373%0.72733%0.33SS*.THydrogen-bonded Turntrans-61.7-25.9177.100000113.5G494A492-G494 PolarHBondContact O-N 3.05Å
493D91.1Very high93Very high140 Ų14057.3 Ų57.375%0.74931%0.313SS*.THydrogen-bonded Turntrans-79.2-1.7177.4-59.8-41.9000113.1N491 Q495N491-D493 PolarHBondContact O-N 3.31Å; N491-D493 PolarHBondContact OD1-N 3.48Å; N491-D493 VanDerWaalsContact OD1-N 3.15Å; D493-Q495 VanDerWaalsContact C-N 3.29Å; D493-Q495 HydrophobicContact CB-CG 4.48Å; D493-Q495 PolarHBondContact O-N 3.37Å
494G90.9Very high93.5Very high37 Ų3754 Ų5438%0.38130%0.296SS..  trans81.92.4179.600000114.5N491 A492N491-G494 PolarHBondContact O-N 3.13Å; N491-G494 VanDerWaalsContact O-N 3.08Å; N491-G494 PolarHBondContact OD1-N 3.42Å; N491-G494 VanDerWaalsContact OD1-N 3.09Å; A492-G494 PolarHBondContact O-N 3.05Å
495Q92.6Very high94Very high113 Ų11350.9 Ų50.953%0.52828%0.279SS..  trans-70137173.6-60176-37.600109.6L468 R490 N491 D493L468-Q495 HydrophobicContact CD1-CB 3.76Å; L468-Q495 WeakPolarHBondContact CD1-O 3.44Å; R490-Q495 CarbonylContact C-O 3.54Å; R490-Q495 VanDerWaalsContact CA-O 3.23Å; R490-Q495 WeakPolarHBondContact CA-O 3.43Å; N491-Q495 PolarHBondContact N-O 2.88Å; N491-Q495 PolarHBondContact ND2-OE1 3.47Å; N491-Q495 WeakPolarHBondContact OD1-CB 3.34Å; N491-Q495 PolarHBondContact OD1-N 3.32Å; N491-Q495 PolarHBondContact OD1-O 3.45Å; D493-Q495 VanDerWaalsContact C-N 3.29Å; D493-Q495 HydrophobicContact CB-CG 4.48Å; D493-Q495 PolarHBondContact O-N 3.37Å
496V94Very high94.2Very high78 Ų7852.3 Ų52.347%0.47328%0.279SS..EExtended strand (participates in β ladder)trans-116.6132.1179.2-178.20000107.9L488 G489 R490L488-V496 HydrophobicContact CD1-CG1 3.98Å; L488-V496 HydrophobicContact CD2-CG1 4.43Å; L488-V496 HydrophobicContact CG-CG1 4.08Å; G489-V496 VanDerWaalsContact O-CA 3.3Å; G489-V496 WeakPolarHBondContact O-CA 3.46Å; R490-V496 HydrophobicContact CB-CG2 4.05Å; R490-V496 HydrophobicContact CG-CG2 4.13Å
497G96.3Very high93.9Very high2 Ų253.9 Ų53.92%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-169169.6178.400000112.2D466 G489D466-G497 CarbonylContact O-C 3.6Å; D466-G497 WeakPolarHBondContact O-CA 3.48Å; G489-G497 PolarHBondContact N-O 3.18Å; G489-G497 VanDerWaalsContact N-O 3.17Å; G489-G497 PolarHBondContact O-N 3.05Å; G489-G497 VanDerWaalsContact O-N 3.11Å
498L95.8Very high92.6Very high40 Ų4064.7 Ų64.721%0.20934%0.344CS..EExtended strand (participates in β ladder)trans-76.6144.1176.3-64.1176.4000110.8D466 E467 L468 I482 W486 W487 L488D466-L498 PolarHBondContact O-N 3.48Å; E467-L498 CarbonylContact C-O 3.58Å; E467-L498 VanDerWaalsContact CA-O 3.22Å; E467-L498 WeakPolarHBondContact CA-O 3.42Å; E467-L498 WeakPolarHBondContact CB-O 3.38Å; E467-L498 HydrophobicContact CG-CB 4.45Å; L468-L498 PolarHBondContact N-O 2.97Å; I482-L498 HydrophobicContact CD1-CD2 3.55Å; W486-L498 HydrophobicContact CE3-CB 4.14Å; W487-L498 CarbonylContact O-C 3.56Å; W487-L498 WeakPolarHBondContact O-CA 3.5Å; L488-L498 HydrophobicContact CB-CD2 4Å; L488-L498 HydrophobicContact CD1-CD2 3.79Å; L488-L498 HydrophobicContact CD1-CG 4.26Å
499F95.4Very high92.4Very high0 Ų065.5 Ų65.50%035%0.349CS..EExtended strand (participates in β ladder)trans-150.5155.7174.162.3-88.6000112L468 F470 I476 I479 W486 W487 A501 V504L468-F499 HydrophobicContact CD2-CD1 4.31Å; F470-F499 HydrophobicContact CE1-CB 3.55Å; F470-F499 HydrophobicContact CE1-CD2 4.28Å; F470-F499 AromaticContact CE1-CG 3.99Å; F470-F499 HydrophobicContact CE1-CG 3.99Å; F470-F499 HydrophobicContact CZ-CB 4.22Å; F470-F499 HydrophobicContact CZ-CD2 4.47Å; I476-F499 HydrophobicContact CD1-CD1 3.97Å; I476-F499 HydrophobicContact CD1-CD2 4.03Å; I476-F499 HydrophobicContact CD1-CE1 3.9Å; I476-F499 HydrophobicContact CD1-CE2 3.98Å; I476-F499 HydrophobicContact CD1-CG 4.04Å; I476-F499 HydrophobicContact CD1-CZ 3.9Å; I476-F499 HydrophobicContact CG2-CE1 3.7Å; I476-F499 HydrophobicContact CG2-CZ 3.92Å; I479-F499 HydrophobicContact CD1-CZ 4.27Å; I479-F499 HydrophobicContact CG1-CZ 4.19Å; I479-F499 HydrophobicContact CG2-CZ 4.12Å; W486-F499 WeakPolarHBondContact CA-O 3.42Å; W487-F499 HydrophobicContact CB-CE1 4.23Å; W487-F499 HydrophobicContact CB-CE2 3.95Å; W487-F499 HydrophobicContact CB-CZ 3.76Å; W487-F499 HydrophobicContact CE3-CE2 4.07Å; W487-F499 HydrophobicContact CE3-CZ 4.32Å; W487-F499 PolarHBondContact N-O 3.47Å; W487-F499 WeakPolarHBondContact O-CD1 3.41Å; W487-F499 PolarHBondContact O-N 3.38Å; F499-A501 PolarHBondContact O-N 3.47Å; F499-V504 HydrophobicContact CD2-CG1 3.93Å; F499-V504 HydrophobicContact CD2-CG2 4.41Å; F499-V504 HydrophobicContact CE2-CB 4.39Å; F499-V504 HydrophobicContact CE2-CG1 3.79Å; F499-V504 HydrophobicContact CE2-CG2 3.68Å
500P95.8Very high92.3Very high4 Ų468.8 Ų68.83%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-72.1128.6-179.626.3-33.8000112.6Y460 G485 N502 Y503Y460-P500 HydrophobicContact CD2-CG 3.67Å; Y460-P500 HydrophobicContact CE2-CG 3.55Å; Y460-P500 HydrophobicContact CG-CG 4.27Å; G485-P500 CarbonylContact O-C 3.6Å; G485-P500 VanDerWaalsContact O-CA 3.26Å; G485-P500 WeakPolarHBondContact O-CA 3.48Å; P500-N502 VanDerWaalsContact C-N 3.26Å; P500-N502 WeakPolarHBondContact CB-OD1 3.49Å; P500-N502 PolarHBondContact O-N 3.27Å; P500-Y503 HydrophobicContact CB-CD2 3.87Å; P500-Y503 HydrophobicContact CB-CE2 4.42Å; P500-Y503 HydrophobicContact CG-CD2 3.48Å; P500-Y503 VanDerWaalsContact CG-CD2 3.48Å; P500-Y503 HydrophobicContact CG-CE2 4.02Å; P500-Y503 HydrophobicContact CG-CG 3.79Å; P500-Y503 PolarHBondContact O-N 3.29Å; P500-Y503 VanDerWaalsContact O-N 3.11Å
501A93.8Very high92.1Very high13 Ų1366.6 Ų66.611%0.10736%0.364CS..G310 helixtrans-60-32.9-17700000113.2G485 W487 F499 Y503 V504G485-A501 PolarHBondContact O-N 3.43Å; W487-A501 HydrophobicContact CD2-CB 3.66Å; W487-A501 HydrophobicContact CE3-CB 4.2Å; W487-A501 HydrophobicContact CG-CB 4.04Å; W487-A501 HydrophobicContact CH2-CB 4.28Å; W487-A501 HydrophobicContact CZ2-CB 3.75Å; W487-A501 HydrophobicContact CZ3-CB 4.48Å; F499-A501 PolarHBondContact O-N 3.47Å; A501-Y503 PolarHBondContact O-N 2.99Å; A501-V504 PolarHBondContact O-N 3.09Å
502N94.8Very high92Very high84 Ų8470 Ų7045%0.44938%0.382SS..G310 helixtrans-74.7-8179.865.6-39.3000114.1P500P500-N502 VanDerWaalsContact C-N 3.26Å; P500-N502 WeakPolarHBondContact CB-OD1 3.49Å; P500-N502 PolarHBondContact O-N 3.27Å
503Y95.9Very high92.2Very high39 Ų3968.9 Ų68.915%0.15336%0.361CS..G310 helixtrans-89.2-7.3176.9-83-118.9000113L457 D459 Y460 P500 A501L457-Y503 WeakPolarHBondContact CB-O 3.37Å; L457-Y503 PolarHBondContact N-O 3.15Å; D459-Y503 WeakPolarHBondContact O-CE1 3.11Å; Y460-Y503 HydrophobicContact CD2-CD1 4.06Å; Y460-Y503 AromaticContact CD2-CE1 3.97Å; Y460-Y503 HydrophobicContact CD2-CE1 3.97Å; Y460-Y503 HydrophobicContact CG-CD1 4.44Å; P500-Y503 HydrophobicContact CB-CD2 3.87Å; P500-Y503 HydrophobicContact CB-CE2 4.42Å; P500-Y503 HydrophobicContact CG-CD2 3.48Å; P500-Y503 VanDerWaalsContact CG-CD2 3.48Å; P500-Y503 HydrophobicContact CG-CE2 4.02Å; P500-Y503 HydrophobicContact CG-CG 3.79Å; P500-Y503 PolarHBondContact O-N 3.29Å; P500-Y503 VanDerWaalsContact O-N 3.11Å; A501-Y503 PolarHBondContact O-N 2.99Å
504V95Very high92.2Very high11 Ų1164.1 Ų64.17%0.06734%0.335CS..EExtended strand (participates in β ladder)trans-127.7159.2-176.6-52.90000111.4A454 V455 F470 I476 W487 F499 A501A454-V504 HydrophobicContact CB-CB 3.82Å; A454-V504 HydrophobicContact CB-CG2 3.81Å; V455-V504 CarbonylContact O-C 3.52Å; V455-V504 WeakPolarHBondContact O-CA 3.26Å; F470-V504 HydrophobicContact CE2-CG1 4.33Å; F470-V504 HydrophobicContact CZ-CG1 4.08Å; I476-V504 HydrophobicContact CD1-CG1 3.97Å; W487-V504 HydrophobicContact CE3-CG2 3.97Å; W487-V504 HydrophobicContact CZ3-CG2 3.77Å; F499-V504 HydrophobicContact CD2-CG1 3.93Å; F499-V504 HydrophobicContact CD2-CG2 4.41Å; F499-V504 HydrophobicContact CE2-CB 4.39Å; F499-V504 HydrophobicContact CE2-CG1 3.79Å; F499-V504 HydrophobicContact CE2-CG2 3.68Å; A501-V504 PolarHBondContact O-N 3.09Å
505K95.6Very high92.3Very high133 Ų13366.1 Ų66.158%0.57833%0.331SS*.EExtended strand (participates in β ladder)trans-120.6119.1172.7-178.9176.3-179.3178.90109.4A454 V455 L457 M507A454-K505 CarbonylContact C-O 3.53Å; A454-K505 VanDerWaalsContact CA-O 3.23Å; A454-K505 WeakPolarHBondContact CA-O 3.36Å; A454-K505 WeakPolarHBondContact CB-O 3.37Å; V455-K505 HydrophobicContact CG1-CB 4.03Å; V455-K505 PolarHBondContact N-O 2.98Å; V455-K505 PolarHBondContact O-N 3.11Å; L457-K505 HydrophobicContact CD1-CB 4.16Å; L457-K505 HydrophobicContact CD2-CB 3.83Å; L457-K505 HydrophobicContact CD2-CD 4.44Å; L457-K505 HydrophobicContact CG-CB 4.05Å; K505-M507 PolarHBondContact O-N 3.18Å
506L93.1Very high92.3Very high61 Ų6162.5 Ų62.532%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-57.6131.5174.5-73.7170000110.5L452 A454 I479 W487L452-L506 HydrophobicContact CB-CD2 4.34Å; L452-L506 HydrophobicContact CD2-CD2 4.37Å; A454-L506 HydrophobicContact CB-CD2 4.33Å; I479-L506 HydrophobicContact CD1-CD2 4.26Å; W487-L506 HydrophobicContact CH2-CD1 3.69Å; W487-L506 HydrophobicContact CH2-CD2 4.34Å; W487-L506 HydrophobicContact CH2-CG 3.87Å; W487-L506 HydrophobicContact CZ3-CD1 4.11Å; W487-L506 HydrophobicContact CZ3-CD2 3.9Å; W487-L506 HydrophobicContact CZ3-CG 3.8Å
507M86.7Confident92.2Very high93 Ų9361.2 Ų61.246%0.45830%0.303SS..EExtended strand (participates in β ladder)trans-99.1105.4169.8-59.2-175.478.500106.4K453 V455 H475 K505K453-M507 HydrophobicContact CD-SD 4.43Å; K453-M507 PolarHBondContact O-N 3.24Å; V455-M507 HydrophobicContact CB-CG 4.32Å; V455-M507 HydrophobicContact CB-SD 3.99Å; V455-M507 HydrophobicContact CG1-CG 4.2Å; V455-M507 HydrophobicContact CG1-SD 4.38Å; H475-M507 PolarHBondContact CE1-SD 2.95Å; K505-M507 PolarHBondContact O-N 3.18Å
508M67.8Low91.8Very high254 Ų25466.5 Ų66.5100%1.25133%0.329SS*.  trans-80.90170-81.1-165-87.900111.3

Retrieved 508 of 508 residues in 136.5 ms (Link to these results)

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