A0A087YG43_POEFO Loading...

Calpain-1 catalytic subunit

AlphaFold DB , UniProt , Accession A0A087YG43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 704 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
1M43.4Very low58.7Low133 Ų13377.7 Ų77.766%0.65550%0.496SS*.  0120.20-162.1-175.7-9400106.8R421M1-R421 VanDerWaalsContact CE-NH1 3.3Å
2Y33.3Very low60.3Low76 Ų7681.9 Ų81.930%0.29850%0.497SS..  trans-57.3143.6-162-62-86.1000114.3V4 Y12 A13 L16 M21Y2-V4 PolarHBondContact O-N 2.7Å; Y2-V4 VanDerWaalsContact O-N 3.09Å; Y2-Y12 HydrophobicContact CD1-CD1 4.12Å; Y2-Y12 HydrophobicContact CD1-CE1 4.14Å; Y2-Y12 AromaticContact CE1-CD1 3.95Å; Y2-Y12 HydrophobicContact CE1-CD1 3.95Å; Y2-Y12 AromaticContact CE1-CE1 3.77Å; Y2-Y12 HydrophobicContact CE1-CE1 3.77Å; Y2-A13 HydrophobicContact CD2-CB 3.99Å; Y2-A13 HydrophobicContact CE2-CB 3.49Å; Y2-A13 VanDerWaalsContact CE2-CB 3.49Å; Y2-L16 HydrophobicContact CE1-CD1 3.72Å; Y2-L16 WeakPolarHBondContact OH-CD1 3.26Å; Y2-M21 PolarHBondContact OH-SD 2.74Å
3P31.7Very low61.5Low119 Ų11977 Ų7777%0.77347%0.47SS*.SBendtrans-73.40.3-1719.8-4000115.7
4V36.6Very low62.7Low96 Ų9676.1 Ų76.158%0.58246%0.461SS*.SBendtrans-129.3120.4-179.3-170.80000108Y2 A9Y2-V4 PolarHBondContact O-N 2.7Å; Y2-V4 VanDerWaalsContact O-N 3.09Å; V4-A9 WeakPolarHBondContact O-CB 3.42Å
5G54.7Low64Low72 Ų7281.6 Ų81.674%0.74247%0.47SS*.  trans-79.6157.617600000112.4
6G66.8Low65.2Low54 Ų5477.8 Ų77.856%0.55745%0.448SS*.SBendtrans118.8-174.917100000115.2S8 A9 S10G6-S8 PolarHBondContact O-N 3.13Å; G6-A9 PolarHBondContact O-N 2.81Å; G6-S10 PolarHBondContact O-N 3.33Å
7I73.9Confident66.1Low88 Ų8876.9 Ų76.945%0.45144%0.435SS..Hα-helixtrans-63.1-41.3-173.1-64168.4000111.7A9 S10 I11 I649I7-A9 PolarHBondContact O-N 3Å; I7-S10 PolarHBondContact O-N 3.12Å; I7-I11 HydrophobicContact CG2-CD1 3.93Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.06Å; I7-I11 PolarHBondContact O-N 3.44Å; I7-I649 HydrophobicContact CD1-CD1 3.79Å; I7-I649 HydrophobicContact CD1-CG1 3.99Å; I7-I649 HydrophobicContact CD1-CG2 4.15Å; I7-I649 HydrophobicContact CG1-CD1 4.42Å
8S76.5Confident66.9Low84 Ų8478.3 Ų78.359%0.58745%0.451SS*.Hα-helixtrans-61.4-43.218052.20000112.6G6 S10 I11 Y12G6-S8 PolarHBondContact O-N 3.13Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.44Å; S8-I11 PolarHBondContact O-N 3.31Å; S8-Y12 PolarHBondContact O-N 2.93Å
9A74.9Confident67.9Low17 Ų1781.7 Ų81.714%0.1446%0.462CS..Hα-helixtrans-66.3-36.6176.800000112.4V4 G6 I7 Y12 A13V4-A9 WeakPolarHBondContact O-CB 3.42Å; G6-A9 PolarHBondContact O-N 2.81Å; I7-A9 PolarHBondContact O-N 3Å; A9-Y12 PolarHBondContact O-N 2.88Å; A9-A13 WeakPolarHBondContact O-CB 2.92Å; A9-A13 PolarHBondContact O-N 2.92Å
10S74.3Confident68.6Low43 Ų4378.9 Ų78.930%0.30145%0.452SS..Hα-helixtrans-66.8-38.3173.21750000112.5G6 I7 S8 N14 R645G6-S10 PolarHBondContact O-N 3.33Å; I7-S10 PolarHBondContact O-N 3.12Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 PolarHBondContact O-N 3.44Å; S10-N14 WeakPolarHBondContact O-CB 3.5Å; S10-N14 PolarHBondContact O-N 3.38Å; S10-N14 PolarHBondContact O-OD1 2.61Å; S10-R645 PolarHBondContact OG-NH2 2.64Å
11I79.1Confident69.4Low73 Ų7377.8 Ų77.837%0.37444%0.443SS..Hα-helixtrans-62.8-45.9173.8-68167.2000110.2I7 S8 N14 R15I7-I11 HydrophobicContact CG2-CD1 3.93Å; I7-I11 HydrophobicContact CG2-CG1 4.42Å; I7-I11 WeakPolarHBondContact O-CG1 3.06Å; I7-I11 PolarHBondContact O-N 3.44Å; S8-I11 PolarHBondContact O-N 3.31Å; I11-N14 PolarHBondContact O-N 3.07Å; I11-R15 WeakPolarHBondContact O-CG 3.28Å; I11-R15 PolarHBondContact O-N 2.87Å
12Y78.3Confident71.3Confident128 Ų12871.8 Ų71.850%0.50242%0.416SS..Hα-helixtrans-61.4-46.9177.9-178.6-111.3000112.2Y2 S8 A9 N14 R15 L16Y2-Y12 HydrophobicContact CD1-CD1 4.12Å; Y2-Y12 HydrophobicContact CD1-CE1 4.14Å; Y2-Y12 AromaticContact CE1-CD1 3.95Å; Y2-Y12 HydrophobicContact CE1-CD1 3.95Å; Y2-Y12 AromaticContact CE1-CE1 3.77Å; Y2-Y12 HydrophobicContact CE1-CE1 3.77Å; S8-Y12 PolarHBondContact O-N 2.93Å; A9-Y12 PolarHBondContact O-N 2.88Å; Y12-N14 VanDerWaalsContact C-N 3.33Å; Y12-N14 PolarHBondContact O-N 2.78Å; Y12-R15 PolarHBondContact O-N 2.92Å; Y12-R15 VanDerWaalsContact O-N 3.16Å; Y12-L16 HydrophobicContact CD1-CD1 3.85Å; Y12-L16 HydrophobicContact CE1-CD1 3.3Å; Y12-L16 HydrophobicContact CE1-CG 4.2Å; Y12-L16 HydrophobicContact CE2-CD1 4.25Å; Y12-L16 HydrophobicContact CE2-CG 4.32Å; Y12-L16 PolarHBondContact O-N 2.99Å
13A76.2Confident73.8Confident18 Ų1869.8 Ų69.815%0.14941%0.413CS..Hα-helixtrans-59.4-42175.900000112.3Y2 A9 R15 L16 R17Y2-A13 HydrophobicContact CD2-CB 3.99Å; Y2-A13 HydrophobicContact CE2-CB 3.49Å; Y2-A13 VanDerWaalsContact CE2-CB 3.49Å; A9-A13 WeakPolarHBondContact O-CB 2.92Å; A9-A13 PolarHBondContact O-N 2.92Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.26Å; A13-L16 PolarHBondContact O-N 3.31Å; A13-R17 WeakPolarHBondContact O-CB 3.17Å; A13-R17 PolarHBondContact O-N 3.32Å
14N78.2Confident75.9Confident64 Ų6466.5 Ų66.534%0.34239%0.389SS..Hα-helixtrans-63.7-36.8176.7-75.4-0.2000112.3S10 I11 Y12 R17 S18 R645S10-N14 WeakPolarHBondContact O-CB 3.5Å; S10-N14 PolarHBondContact O-N 3.38Å; S10-N14 PolarHBondContact O-OD1 2.61Å; I11-N14 PolarHBondContact O-N 3.07Å; Y12-N14 VanDerWaalsContact C-N 3.33Å; Y12-N14 PolarHBondContact O-N 2.78Å; N14-R17 PolarHBondContact O-N 3.12Å; N14-S18 PolarHBondContact O-N 3.1Å; N14-R645 PolarHBondContact ND2-NH1 3.22Å; N14-R645 VanDerWaalsContact ND2-NH1 3.2Å
15R82.8Confident78.1Confident159 Ų15969.3 Ų69.360%0.640%0.396SS*.Hα-helixtrans-66.9-46.9175.4-72.4178-179.3177-1.1111.8I11 Y12 A13 R17 S18 E19I11-R15 WeakPolarHBondContact O-CG 3.28Å; I11-R15 PolarHBondContact O-N 2.87Å; Y12-R15 PolarHBondContact O-N 2.92Å; Y12-R15 VanDerWaalsContact O-N 3.16Å; A13-R15 VanDerWaalsContact C-N 3.32Å; A13-R15 PolarHBondContact O-N 3.26Å; R15-R17 PolarHBondContact O-N 2.79Å; R15-S18 WeakPolarHBondContact CA-OG 3.46Å; R15-S18 PolarHBondContact O-N 2.87Å; R15-S18 PolarHBondContact O-OG 3.15Å; R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 2.87Å
16L82.2Confident79.7Confident21 Ų2171.1 Ų71.111%0.1139%0.385CS..Hα-helixtrans-59-39.1175.5-72.6174.9000111.7Y2 Y12 A13 E19 G20 M21Y2-L16 HydrophobicContact CE1-CD1 3.72Å; Y2-L16 WeakPolarHBondContact OH-CD1 3.26Å; Y12-L16 HydrophobicContact CD1-CD1 3.85Å; Y12-L16 HydrophobicContact CE1-CD1 3.3Å; Y12-L16 HydrophobicContact CE1-CG 4.2Å; Y12-L16 HydrophobicContact CE2-CD1 4.25Å; Y12-L16 HydrophobicContact CE2-CG 4.32Å; Y12-L16 PolarHBondContact O-N 2.99Å; A13-L16 PolarHBondContact O-N 3.31Å; L16-E19 CarbonylContact O-C 3.56Å; L16-E19 WeakPolarHBondContact O-CB 3.3Å; L16-E19 PolarHBondContact O-N 3.18Å; L16-E19 VanDerWaalsContact O-N 3.14Å; L16-G20 PolarHBondContact O-N 3.4Å; L16-M21 HydrophobicContact CB-CB 3.98Å; L16-M21 HydrophobicContact CB-CE 4.3Å; L16-M21 HydrophobicContact CB-SD 3.95Å; L16-M21 HydrophobicContact CD1-CE 3.88Å; L16-M21 HydrophobicContact CD1-SD 3.94Å; L16-M21 HydrophobicContact CD2-CE 4.19Å; L16-M21 HydrophobicContact CG-CE 4.37Å; L16-M21 HydrophobicContact CG-SD 4.48Å; L16-M21 VanDerWaalsContact O-CB 3.23Å; L16-M21 WeakPolarHBondContact O-CB 3.45Å; L16-M21 PolarHBondContact O-N 3.4Å
17R81.4Confident80.9Confident63 Ų6369.3 Ų69.324%0.23837%0.365CS..Hα-helixtrans-61.9-42.8173.4-171.3-174.2-61.2166.80.8112.5A13 N14 R15 E19 G20 M21 E151 Y365A13-R17 WeakPolarHBondContact O-CB 3.17Å; A13-R17 PolarHBondContact O-N 3.32Å; N14-R17 PolarHBondContact O-N 3.12Å; R15-R17 PolarHBondContact O-N 2.79Å; R17-E19 PolarHBondContact O-N 3.19Å; R17-G20 PolarHBondContact O-N 2.96Å; R17-M21 WeakPolarHBondContact CA-O 3.5Å; R17-E151 IonicContact CZ-OE1 3.5Å; R17-E151 IonicContact NE-OE1 3.74Å; R17-E151 PolarHBondContact NE-OE1 3.05Å; R17-E151 IonicContact NH2-OE1 2.8Å; R17-E151 PolarHBondContact NH2-OE1 3.09Å; R17-E151 IonicContact NH2-OE2 3.36Å; R17-E151 PolarHBondContact NH2-OE2 3.06Å; R17-E151 VanDerWaalsContact NH2-OE2 3.17Å; R17-Y365 VanDerWaalsContact NH1-CD2 3.31Å; R17-Y365 VanDerWaalsContact NH1-CE2 3.28Å
18S80.3Confident81.8Confident102 Ų10266.1 Ų66.171%0.71335%0.349SS*.Hα-helixtrans-65.8-22.9175.462.10000113.5N14 R15 G20N14-S18 PolarHBondContact O-N 3.1Å; R15-S18 WeakPolarHBondContact CA-OG 3.46Å; R15-S18 PolarHBondContact O-N 2.87Å; R15-S18 PolarHBondContact O-OG 3.15Å; S18-G20 VanDerWaalsContact C-N 3.32Å
19E84.9Confident82.6Confident142 Ų14266 Ų6666%0.66434%0.339SS*.THydrogen-bonded Turntrans-84.6-4.8174.1-68.5170.6-171.900113.1R15 L16 R17R15-E19 WeakPolarHBondContact O-CG 3.49Å; R15-E19 PolarHBondContact O-N 2.87Å; L16-E19 CarbonylContact O-C 3.56Å; L16-E19 WeakPolarHBondContact O-CB 3.3Å; L16-E19 PolarHBondContact O-N 3.18Å; L16-E19 VanDerWaalsContact O-N 3.14Å; R17-E19 PolarHBondContact O-N 3.19Å
20G82.5Confident83.5Confident25 Ų2566.8 Ų66.826%0.25834%0.339SS..THydrogen-bonded Turntrans114.3-5.9176.600000115.1L16 R17 S18 G22 S23L16-G20 PolarHBondContact O-N 3.4Å; R17-G20 PolarHBondContact O-N 2.96Å; S18-G20 VanDerWaalsContact C-N 3.32Å; G20-G22 PolarHBondContact O-N 3.27Å; G20-S23 WeakPolarHBondContact O-CB 3.43Å; G20-S23 PolarHBondContact O-N 2.94Å; G20-S23 PolarHBondContact O-OG 3.02Å; G20-S23 VanDerWaalsContact O-OG 3.13Å
21M85.4Confident84.3Confident56 Ų5666.3 Ų66.328%0.27634%0.338SS..THydrogen-bonded Turntrans-64.1132.9178.4-170.4-179.4-78.800111.4Y2 L16 R17 V28Y2-M21 PolarHBondContact OH-SD 2.74Å; L16-M21 HydrophobicContact CB-CB 3.98Å; L16-M21 HydrophobicContact CB-CE 4.3Å; L16-M21 HydrophobicContact CB-SD 3.95Å; L16-M21 HydrophobicContact CD1-CE 3.88Å; L16-M21 HydrophobicContact CD1-SD 3.94Å; L16-M21 HydrophobicContact CD2-CE 4.19Å; L16-M21 HydrophobicContact CG-CE 4.37Å; L16-M21 HydrophobicContact CG-SD 4.48Å; L16-M21 VanDerWaalsContact O-CB 3.23Å; L16-M21 WeakPolarHBondContact O-CB 3.45Å; L16-M21 PolarHBondContact O-N 3.4Å; R17-M21 WeakPolarHBondContact CA-O 3.5Å; M21-V28 HydrophobicContact CG-CG2 3.82Å; M21-V28 HydrophobicContact SD-CG2 4.3Å
22G83.9Confident84.9Confident7 Ų766.4 Ų66.47%0.07235%0.346CS..THydrogen-bonded Turntrans89.31.1-171.300000113.8G20 Q26 E151 W152G20-G22 PolarHBondContact O-N 3.27Å; G22-Q26 WeakPolarHBondContact CA-O 3.22Å; G22-Q26 PolarHBondContact N-O 2.76Å; G22-E151 CarbonylContact O-C 3.57Å; G22-E151 WeakPolarHBondContact O-CA 3.39Å; G22-W152 PolarHBondContact O-N 3.27Å
23S85.3Confident85.7Confident34 Ų3461 Ų6124%0.23833%0.325CS..SBendtrans-72.817917082.90000112.2G20 E25 Q26G20-S23 WeakPolarHBondContact O-CB 3.43Å; G20-S23 PolarHBondContact O-N 2.94Å; G20-S23 PolarHBondContact O-OG 3.02Å; G20-S23 VanDerWaalsContact O-OG 3.13Å; S23-E25 VanDerWaalsContact C-N 3.31Å; S23-E25 WeakPolarHBondContact CB-OE2 3.19Å; S23-E25 PolarHBondContact OG-N 2.75Å; S23-E25 PolarHBondContact OG-OE2 3.35Å; S23-Q26 PolarHBondContact OG-N 2.9Å
24N76.2Confident86.7Confident51 Ų5163.2 Ų63.227%0.27333%0.334SS..SBendtrans-59.1-46.3173.3-169.9-46.3000110.3Q26 R126N24-Q26 PolarHBondContact O-N 3.28Å; N24-R126 VanDerWaalsContact C-NH2 3.35Å; N24-R126 VanDerWaalsContact CG-CZ 3.5Å; N24-R126 PolarHBondContact O-NH1 2.94Å; N24-R126 PolarHBondContact O-NH2 3.36Å; N24-R126 PolarHBondContact OD1-NE 3.25Å; N24-R126 PolarHBondContact OD1-NH1 2.97Å
25E82.2Confident87.6Confident155 Ų15560.9 Ų60.972%0.72432%0.321SS*.SBendtrans-75.7-25.6-174.4-52.774.1-158.800113.3S23S23-E25 VanDerWaalsContact C-N 3.31Å; S23-E25 WeakPolarHBondContact CB-OE2 3.19Å; S23-E25 PolarHBondContact OG-N 2.75Å; S23-E25 PolarHBondContact OG-OE2 3.35Å
26Q88Confident88.2Confident110 Ų11059 Ų5951%0.51432%0.319SS..SBendtrans-132.273.6-174-65.6-175-1.700111.4G22 S23 N24G22-Q26 WeakPolarHBondContact CA-O 3.22Å; G22-Q26 PolarHBondContact N-O 2.76Å; S23-Q26 PolarHBondContact OG-N 2.9Å; N24-Q26 PolarHBondContact O-N 3.28Å
27A91.4Very high88.9Confident16 Ų1660.7 Ų60.713%0.13234%0.335CS..  trans-63.1143.5177.600000112.1H29 W152 D154A27-H29 PolarHBondContact O-N 2.66Å; A27-W152 CarbonylContact C-O 3.57Å; A27-W152 WeakPolarHBondContact CA-O 3.35Å; A27-W152 HydrophobicContact CB-CB 4.12Å; A27-D154 HydrophobicContact CB-CB 4.05Å
28V92.8Very high89.6Confident21 Ų2159.3 Ų59.313%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-71.5128.2176176.30000109.6M21 F30 W152 V153 D154M21-V28 HydrophobicContact CG-CG2 3.82Å; M21-V28 HydrophobicContact SD-CG2 4.3Å; V28-F30 PolarHBondContact O-N 3.38Å; V28-W152 PolarHBondContact N-O 2.91Å; V28-V153 HydrophobicContact CB-CG2 4.39Å; V28-V153 CarbonylContact O-C 3.59Å; V28-V153 VanDerWaalsContact O-CA 3.31Å; V28-V153 WeakPolarHBondContact O-CA 3.42Å; V28-V153 WeakPolarHBondContact O-CG1 3.34Å; V28-D154 PolarHBondContact O-N 2.99Å
29H93.8Very high90.4Very high81 Ų8155.9 Ų55.938%0.37531%0.305SS..EExtended strand (participates in β ladder)trans-69.8114.4175.4-64-178.9000111.2A27 A31 S32 Q33 D34A27-H29 PolarHBondContact O-N 2.66Å; H29-A31 PolarHBondContact O-N 3.03Å; H29-S32 PolarHBondContact O-N 3.39Å; H29-Q33 WeakPolarHBondContact CB-O 3.36Å; H29-D34 IonicContact CE1-OD2 2.68Å; H29-D34 PolarHBondContact CE1-OD2 3.46Å; H29-D34 IonicContact ND1-OD2 2.91Å
30F94.1Very high91Very high33 Ų3354 Ų5415%0.14530%0.296CS..G310 helixtrans-63.8136.8175.1-173.1-104.5000110.3V28 S32 Q33 V153 D154 V155 K190 L191V28-F30 PolarHBondContact O-N 3.38Å; F30-S32 PolarHBondContact O-N 2.9Å; F30-Q33 PolarHBondContact O-N 2.73Å; F30-V153 HydrophobicContact CB-CG1 3.77Å; F30-V153 HydrophobicContact CD2-CG1 4.16Å; F30-V153 HydrophobicContact CG-CG1 4.41Å; F30-D154 WeakPolarHBondContact CB-O 3.43Å; F30-D154 PolarHBondContact N-O 2.81Å; F30-V155 HydrophobicContact CB-CB 4.46Å; F30-V155 HydrophobicContact CB-CG2 3.92Å; F30-V155 HydrophobicContact CD1-CG1 4.33Å; F30-V155 HydrophobicContact CG-CG2 4.21Å; F30-K190 HydrophobicContact CD1-CG 4.48Å; F30-K190 HydrophobicContact CE1-CD 4.35Å; F30-K190 HydrophobicContact CE1-CG 3.93Å; F30-L191 HydrophobicContact CD2-CD1 3.75Å; F30-L191 HydrophobicContact CE2-CD1 3.77Å; F30-L191 HydrophobicContact CG-CD1 4.47Å; F30-L191 HydrophobicContact CZ-CD1 4.49Å
31A91Very high91.6Very high34 Ų3458.9 Ų58.928%0.28131%0.312SS..G310 helixtrans48.821.4-174.300000115.6H29 Q33 C53H29-A31 PolarHBondContact O-N 3.03Å; A31-Q33 HydrophobicContact CB-CG 4.41Å; A31-Q33 PolarHBondContact O-N 3.41Å; A31-C53 HydrophobicContact CB-CB 4.14Å
32S91.9Very high92.2Very high75 Ų7556.7 Ų56.752%0.52430%0.302SS..G310 helixtrans59.727.4-174.9-610000114H29 F30H29-S32 PolarHBondContact O-N 3.39Å; F30-S32 PolarHBondContact O-N 2.9Å
33Q96.1Very high92.7Very high14 Ų1459.4 Ų59.47%0.06532%0.317CS..  trans-91.5126.4174.1-69.1174.5-60.200109.9H29 F30 A31 L38 D51 V156H29-Q33 WeakPolarHBondContact CB-O 3.36Å; F30-Q33 PolarHBondContact O-N 2.73Å; A31-Q33 HydrophobicContact CB-CG 4.41Å; A31-Q33 PolarHBondContact O-N 3.41Å; Q33-L38 HydrophobicContact CB-CD1 3.72Å; Q33-L38 HydrophobicContact CG-CD1 4.05Å; Q33-D51 PolarHBondContact NE2-OD1 3.2Å; Q33-V156 HydrophobicContact CB-CB 4.24Å; Q33-V156 HydrophobicContact CB-CG2 4.16Å
34D96.4Very high93.2Very high65 Ų6564.6 Ų64.635%0.34834%0.338SS..  trans-105120176.2-179.2-41.6000108.6H29 E36 A37 L38H29-D34 IonicContact CE1-OD2 2.68Å; H29-D34 PolarHBondContact CE1-OD2 3.46Å; H29-D34 IonicContact ND1-OD2 2.91Å; D34-E36 PolarHBondContact O-N 3.31Å; D34-E36 PolarHBondContact OD1-N 2.87Å; D34-A37 HydrophobicContact CB-CB 3.97Å; D34-A37 PolarHBondContact OD1-N 3.47Å; D34-A37 VanDerWaalsContact OD1-N 3.15Å; D34-L38 WeakPolarHBondContact O-CB 3.27Å; D34-L38 WeakPolarHBondContact O-CD1 3.3Å; D34-L38 WeakPolarHBondContact O-CG 3.24Å; D34-L38 PolarHBondContact O-N 3.1Å
35Y96.8Very high94.1Very high14 Ų1465.6 Ų65.66%0.05535%0.354CS..Hα-helixtrans-57.3-50.3-176.1171.9-107.4000112.4L38 K39 I141 H143Y35-L38 PolarHBondContact O-N 3.48Å; Y35-K39 HydrophobicContact CE1-CD 4.12Å; Y35-K39 WeakPolarHBondContact O-CB 3.46Å; Y35-K39 PolarHBondContact O-N 3.49Å; Y35-K39 PolarHBondContact OH-NZ 3.05Å; Y35-I141 HydrophobicContact CD2-CD1 4.27Å; Y35-I141 HydrophobicContact CD2-CG1 4.06Å; Y35-I141 HydrophobicContact CE2-CG1 4.12Å; Y35-I141 HydrophobicContact CE2-CG2 4.08Å; Y35-H143 AromaticContact CD1-CD2 3.94Å; Y35-H143 AromaticContact CD1-NE2 3.97Å; Y35-H143 HydrophobicContact CD2-CB 3.77Å; Y35-H143 AromaticContact CD2-CG 3.89Å; Y35-H143 HydrophobicContact CE2-CB 4.46Å; Y35-H143 HydrophobicContact CG-CB 3.96Å; Y35-H143 AromaticContact CG-CD2 3.92Å; Y35-H143 AromaticContact CG-CG 3.69Å; Y35-H143 AromaticContact CG-ND1 3.98Å
36E95.4Very high94.8Very high120 Ų12061.7 Ų61.756%0.56136%0.355SS*.Hα-helixtrans-68.9-41.8-173.7-66.3-63.3169.400110.9D34 Q40D34-E36 PolarHBondContact O-N 3.31Å; D34-E36 PolarHBondContact OD1-N 2.87Å; E36-Q40 VanDerWaalsContact O-CB 3.27Å; E36-Q40 WeakPolarHBondContact O-CB 3.33Å; E36-Q40 PolarHBondContact O-N 2.85Å
37A96.8Very high95.2Very high56 Ų5659.5 Ų59.546%0.46335%0.351SS..Hα-helixtrans-64-45.2177.500000112.1D34 Q40 E41D34-A37 HydrophobicContact CB-CB 3.97Å; D34-A37 PolarHBondContact OD1-N 3.47Å; D34-A37 VanDerWaalsContact OD1-N 3.15Å; A37-Q40 PolarHBondContact O-N 3.29Å; A37-E41 WeakPolarHBondContact O-CB 3Å; A37-E41 PolarHBondContact O-N 3.36Å
38L97.6Very high95.5Very high34 Ų3462.1 Ų62.118%0.17836%0.362CS..Hα-helixtrans-69.7-38.6-180-70.4170.9000112.2Q33 D34 Y35 E41 C42 F49 I141 V156Q33-L38 HydrophobicContact CB-CD1 3.72Å; Q33-L38 HydrophobicContact CG-CD1 4.05Å; D34-L38 WeakPolarHBondContact O-CB 3.27Å; D34-L38 WeakPolarHBondContact O-CD1 3.3Å; D34-L38 WeakPolarHBondContact O-CG 3.24Å; D34-L38 PolarHBondContact O-N 3.1Å; Y35-L38 PolarHBondContact O-N 3.48Å; L38-E41 PolarHBondContact O-N 2.97Å; L38-C42 PolarHBondContact O-N 2.89Å; L38-C42 PolarHBondContact O-SG 3.02Å; L38-F49 HydrophobicContact CB-CE2 4.44Å; L38-F49 HydrophobicContact CD1-CE2 4.08Å; L38-F49 HydrophobicContact CD1-CZ 4.08Å; L38-F49 HydrophobicContact CD2-CE2 4.24Å; L38-I141 HydrophobicContact CB-CD1 3.62Å; L38-V156 HydrophobicContact CD1-CG1 4.31Å
39K96.6Very high95.7Very high31 Ų3161.7 Ų61.714%0.13536%0.359CS..Hα-helixtrans-61.5-49.2174.2-176.8-178.6-176.3178.60110.4Y35 E41 C42 V43 D137 A139 I141Y35-K39 HydrophobicContact CE1-CD 4.12Å; Y35-K39 WeakPolarHBondContact O-CB 3.46Å; Y35-K39 PolarHBondContact O-N 3.49Å; Y35-K39 PolarHBondContact OH-NZ 3.05Å; K39-E41 VanDerWaalsContact C-N 3.34Å; K39-E41 PolarHBondContact O-N 3.49Å; K39-C42 PolarHBondContact O-N 3.23Å; K39-V43 HydrophobicContact CG-CG2 4.38Å; K39-V43 VanDerWaalsContact O-CG2 3.31Å; K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 3.35Å; K39-D137 WeakPolarHBondContact CE-O 3.37Å; K39-A139 HydrophobicContact CG-CB 4.41Å; K39-I141 HydrophobicContact CB-CG2 3.85Å; K39-I141 HydrophobicContact CG-CG2 3.89Å
40Q96.2Very high95.9Very high103 Ų10364 Ų6448%0.48137%0.37SS..Hα-helixtrans-59.1-44.4178.7-174.563.42800111.6E36 A37 C42 V43 E44E36-Q40 VanDerWaalsContact O-CB 3.27Å; E36-Q40 WeakPolarHBondContact O-CB 3.33Å; E36-Q40 PolarHBondContact O-N 2.85Å; A37-Q40 PolarHBondContact O-N 3.29Å; Q40-C42 PolarHBondContact O-N 3.18Å; Q40-V43 PolarHBondContact O-N 3.12Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.4Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 WeakPolarHBondContact O-CB 3.42Å; Q40-E44 VanDerWaalsContact O-CG 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.15Å; Q40-E44 PolarHBondContact O-N 2.65Å
41E96.7Very high96.1Very high126 Ų12662.5 Ų62.559%0.58936%0.363SS*.Hα-helixtrans-58.6-45.3175.8-176.9179.317600111.9A37 L38 K39 E44 A45A37-E41 WeakPolarHBondContact O-CB 3Å; A37-E41 PolarHBondContact O-N 3.36Å; L38-E41 PolarHBondContact O-N 2.97Å; K39-E41 VanDerWaalsContact C-N 3.34Å; K39-E41 PolarHBondContact O-N 3.49Å; E41-E44 PolarHBondContact O-N 3.43Å; E41-A45 VanDerWaalsContact O-CB 3.26Å; E41-A45 WeakPolarHBondContact O-CB 3.44Å; E41-A45 PolarHBondContact O-N 3.09Å
42C96.8Very high96.4Very high10 Ų1065.7 Ų65.77%0.06838%0.381CS..Hα-helixtrans-66.7-41.4179.4-68.10000112.4L38 K39 Q40 A45 G46 C47 A139L38-C42 PolarHBondContact O-N 2.89Å; L38-C42 PolarHBondContact O-SG 3.02Å; K39-C42 PolarHBondContact O-N 3.23Å; Q40-C42 PolarHBondContact O-N 3.18Å; C42-A45 PolarHBondContact O-N 3.2Å; C42-G46 PolarHBondContact O-N 3.13Å; C42-C47 WeakPolarHBondContact CB-O 3.42Å; C42-C47 PolarHBondContact O-N 3.02Å; C42-C47 VanDerWaalsContact O-N 3.1Å; C42-A139 HydrophobicContact CB-CB 3.77Å
43V94.7Very high96.6Very high64 Ų6465.1 Ų65.139%0.38838%0.376SS..Hα-helixtrans-62.5-44.9175.8171.10000110.7K39 Q40 G46 A139K39-V43 HydrophobicContact CG-CG2 4.38Å; K39-V43 VanDerWaalsContact O-CG2 3.31Å; K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 3.35Å; Q40-V43 PolarHBondContact O-N 3.12Å; V43-G46 PolarHBondContact O-N 3.45Å; V43-A139 HydrophobicContact CG2-CB 3.97Å
44E95.5Very high96.6Very high143 Ų14364.7 Ų64.767%0.66837%0.374SS*.Hα-helixtrans-65.7-37.7177.8-74.1178.7-171.700112.8Q40 E41 G46Q40-E44 WeakPolarHBondContact CG-OE1 3.4Å; Q40-E44 PolarHBondContact NE2-OE1 3.19Å; Q40-E44 WeakPolarHBondContact O-CB 3.42Å; Q40-E44 VanDerWaalsContact O-CG 3.32Å; Q40-E44 WeakPolarHBondContact O-CG 3.15Å; Q40-E44 PolarHBondContact O-N 2.65Å; E41-E44 PolarHBondContact O-N 3.43Å; E44-G46 VanDerWaalsContact C-N 3.34Å
45A96.1Very high96.7Very high73 Ų7363.8 Ų63.860%0.60337%0.372SS*.Hα-helixtrans-78.9-15.6177.700000113.6E41 C42 C47E41-A45 VanDerWaalsContact O-CB 3.26Å; E41-A45 WeakPolarHBondContact O-CB 3.44Å; E41-A45 PolarHBondContact O-N 3.09Å; C42-A45 PolarHBondContact O-N 3.2Å; A45-C47 VanDerWaalsContact C-N 3.3Å
46G95.2Very high96.6Very high73 Ų7364.5 Ų64.575%0.75338%0.38SS*.THydrogen-bonded Turntrans65.631.9-174.700000113.2C42 V43 E44C42-G46 PolarHBondContact O-N 3.13Å; V43-G46 PolarHBondContact O-N 3.45Å; E44-G46 VanDerWaalsContact C-N 3.34Å
47C96.5Very high96.6Very high63 Ų6364 Ų6443%0.42638%0.378SS..  trans-119.1159.3178.465.10000111.6C42 A45C42-C47 WeakPolarHBondContact CB-O 3.42Å; C42-C47 PolarHBondContact O-N 3.02Å; C42-C47 VanDerWaalsContact O-N 3.1Å; A45-C47 VanDerWaalsContact C-N 3.3Å
48L98Very high96.4Very high71 Ų7164 Ų6437%0.37237%0.374SS..  trans-88.3141.2171.5-60178.9000109.7E50 Y138 A139L48-E50 PolarHBondContact O-N 3.35Å; L48-Y138 HydrophobicContact CD1-CE1 4.46Å; L48-Y138 HydrophobicContact CD2-CD1 4.06Å; L48-Y138 HydrophobicContact CD2-CE1 3.54Å; L48-A139 WeakPolarHBondContact CA-O 3.45Å
49F98.3Very high96.1Very high12 Ų1266.1 Ų66.15%0.05339%0.389CS..  trans-61.6135.7179-177.6-119.2000111L38 D51 R80 A139 I141 V156 D158L38-F49 HydrophobicContact CB-CE2 4.44Å; L38-F49 HydrophobicContact CD1-CE2 4.08Å; L38-F49 HydrophobicContact CD1-CZ 4.08Å; L38-F49 HydrophobicContact CD2-CE2 4.24Å; F49-D51 HydrophobicContact CE1-CB 3.75Å; F49-D51 HydrophobicContact CZ-CB 4.17Å; F49-R80 PolarHBondContact O-NH1 3.46Å; F49-R80 PolarHBondContact O-NH2 3.32Å; F49-A139 PolarHBondContact N-O 2.98Å; F49-I141 HydrophobicContact CB-CB 3.74Å; F49-I141 HydrophobicContact CB-CD1 4.28Å; F49-I141 HydrophobicContact CB-CG1 4.24Å; F49-I141 HydrophobicContact CD1-CB 3.96Å; F49-I141 HydrophobicContact CD1-CD1 3.81Å; F49-I141 HydrophobicContact CD1-CG1 3.61Å; F49-I141 HydrophobicContact CD2-CD1 4.16Å; F49-I141 HydrophobicContact CE1-CD1 4.14Å; F49-I141 HydrophobicContact CE1-CG1 4.14Å; F49-I141 HydrophobicContact CE2-CD1 4.47Å; F49-I141 HydrophobicContact CG-CB 4.05Å; F49-I141 HydrophobicContact CG-CD1 3.82Å; F49-I141 HydrophobicContact CG-CG1 3.98Å; F49-I141 HydrophobicContact CZ-CD1 4.46Å; F49-V156 HydrophobicContact CE1-CG1 4.01Å; F49-V156 HydrophobicContact CZ-CG1 4.37Å; F49-D158 HydrophobicContact CD1-CB 3.76Å; F49-D158 HydrophobicContact CE1-CB 4.43Å; F49-D158 VanDerWaalsContact O-CB 3.29Å; F49-D158 WeakPolarHBondContact O-CB 3.25Å
50E98.1Very high96.1Very high130 Ų13064.9 Ų64.961%0.60739%0.385SS*.  trans-122.6115170.4-66.6-163-153.100108.1L48 P52 R160L48-E50 PolarHBondContact O-N 3.35Å; E50-P52 WeakPolarHBondContact O-CD 3.33Å; E50-R160 VanDerWaalsContact CD-NH1 3.35Å; E50-R160 IonicContact OE2-CZ 2.85Å; E50-R160 IonicContact OE2-NH1 3.59Å; E50-R160 PolarHBondContact OE2-NH1 3.25Å
51D97.8Very high96Very high2 Ų260.2 Ų60.21%0.01136%0.363CS..  trans-73.3110.7-171.8-172.4-1.4000111.8Q33 F49 C53 F54 D158 K190Q33-D51 PolarHBondContact NE2-OD1 3.2Å; F49-D51 HydrophobicContact CE1-CB 3.75Å; F49-D51 HydrophobicContact CZ-CB 4.17Å; D51-C53 PolarHBondContact O-N 3.28Å; D51-C53 WeakPolarHBondContact OD1-CB 3.48Å; D51-C53 PolarHBondContact OD1-N 3.49Å; D51-F54 CarbonylContact O-C 3.54Å; D51-F54 PolarHBondContact O-N 2.81Å; D51-D158 HydrophobicContact CB-CB 4.39Å; D51-D158 VanDerWaalsContact CB-OD2 3.28Å; D51-D158 WeakPolarHBondContact CB-OD2 3.41Å; D51-D158 PolarHBondContact N-OD2 2.8Å; D51-K190 VanDerWaalsContact CG-NZ 3.27Å; D51-K190 IonicContact OD1-NZ 3.42Å; D51-K190 PolarHBondContact OD1-NZ 3.05Å; D51-K190 VanDerWaalsContact OD1-NZ 3.15Å; D51-K190 WeakPolarHBondContact OD2-CD 3.29Å; D51-K190 WeakPolarHBondContact OD2-CE 3.28Å; D51-K190 IonicContact OD2-NZ 3.21Å; D51-K190 PolarHBondContact OD2-NZ 2.91Å
52P96.5Very high95.8Very high101 Ų10154.4 Ų54.466%0.65634%0.337SS*.THydrogen-bonded Turntrans-71.4-18.6179.631.4-36.5000112.4E50E50-P52 WeakPolarHBondContact O-CD 3.33Å
53C95.7Very high95.5Very high62 Ų6257.5 Ų57.542%0.41935%0.349SS..THydrogen-bonded Turntrans-92.7-12.3-176.9-64.20000113A31 D51A31-C53 HydrophobicContact CB-CB 4.14Å; D51-C53 PolarHBondContact O-N 3.28Å; D51-C53 WeakPolarHBondContact OD1-CB 3.48Å; D51-C53 PolarHBondContact OD1-N 3.49Å
54F97.4Very high95.2Very high6 Ų661.6 Ų61.63%0.02636%0.362CS..SBendtrans-148.571.7176.5-161.8-111000110D51 S60 W78 K186 A189 K190 Y195D51-F54 CarbonylContact O-C 3.54Å; D51-F54 PolarHBondContact O-N 2.81Å; F54-S60 WeakPolarHBondContact CZ-O 3.28Å; F54-W78 HydrophobicContact CE1-CH2 4.43Å; F54-K186 HydrophobicContact CD1-CG 4.47Å; F54-K186 HydrophobicContact CE1-CG 4.16Å; F54-A189 HydrophobicContact CZ-CB 4.2Å; F54-K190 HydrophobicContact CB-CB 4.12Å; F54-K190 HydrophobicContact CB-CD 3.63Å; F54-K190 HydrophobicContact CB-CG 3.74Å; F54-K190 HydrophobicContact CD1-CB 3.99Å; F54-K190 HydrophobicContact CD2-CB 3.79Å; F54-K190 HydrophobicContact CD2-CG 3.98Å; F54-K190 HydrophobicContact CE1-CB 4.31Å; F54-K190 HydrophobicContact CE2-CB 4.14Å; F54-K190 HydrophobicContact CG-CB 3.7Å; F54-K190 HydrophobicContact CG-CD 4.19Å; F54-K190 HydrophobicContact CG-CG 3.86Å; F54-K190 HydrophobicContact CZ-CB 4.37Å; F54-Y195 HydrophobicContact CE1-CE2 4.15Å; F54-Y195 HydrophobicContact CZ-CD2 4.3Å; F54-Y195 HydrophobicContact CZ-CE2 4.37Å
55P97.1Very high94.9Very high46 Ų4659.3 Ų59.330%0.29935%0.351SS..  trans-65.9154.5-171.328.5-36000111.5E57 S60P55-E57 HydrophobicContact CB-CB 4.42Å; P55-E57 HydrophobicContact CB-CG 4.1Å; P55-E57 HydrophobicContact CG-CB 4.38Å; P55-E57 HydrophobicContact CG-CG 4.45Å; P55-E57 PolarHBondContact O-N 2.91Å; P55-S60 VanDerWaalsContact O-CB 3.3Å; P55-S60 WeakPolarHBondContact O-CB 3.28Å; P55-S60 PolarHBondContact O-OG 2.93Å
56A96.6Very high94.7Very high28 Ų2856.3 Ų56.323%0.23133%0.325CS..SBendtrans-72.258.817400000111.8W78A56-W78 HydrophobicContact CB-CB 3.74Å; A56-W78 HydrophobicContact CB-CD2 3.63Å; A56-W78 HydrophobicContact CB-CE3 3.93Å; A56-W78 HydrophobicContact CB-CG 3.56Å
57E94.3Very high94.3Very high109 Ų10953.8 Ų53.851%0.50930%0.297SS..SBendtrans-132.3158.3-172.7-69.6-174.7179.400111.3P55 P59 S60P55-E57 HydrophobicContact CB-CB 4.42Å; P55-E57 HydrophobicContact CB-CG 4.1Å; P55-E57 HydrophobicContact CG-CB 4.38Å; P55-E57 HydrophobicContact CG-CG 4.45Å; P55-E57 PolarHBondContact O-N 2.91Å; E57-P59 VanDerWaalsContact C-N 3.32Å; E57-P59 VanDerWaalsContact O-N 3.14Å; E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 3.01Å
58P92.2Very high93.8Very high58 Ų5853.6 Ų53.638%0.37730%0.295SS..Hα-helixtrans-50.4-35.9-179.3-3037.1000116.7S60 L61 G62 P68P58-S60 PolarHBondContact O-N 3.47Å; P58-L61 WeakPolarHBondContact O-CB 3.21Å; P58-L61 PolarHBondContact O-N 2.66Å; P58-G62 PolarHBondContact O-N 3.49Å; P58-P68 HydrophobicContact CB-CB 3.73Å; P58-P68 HydrophobicContact CB-CG 3.72Å; P58-P68 HydrophobicContact CG-CB 4.48Å
59P92.4Very high92.9Very high78 Ų7860.6 Ų60.651%0.50632%0.318SS..Hα-helixtrans-60.6-25.7176.2-2536.4000114.7E57 L61E57-P59 VanDerWaalsContact C-N 3.32Å; E57-P59 VanDerWaalsContact O-N 3.14Å; P59-L61 VanDerWaalsContact C-N 3.31Å
60S95.6Very high92.5Very high5 Ų561.1 Ų61.14%0.03532%0.323CS..Hα-helixtrans-74.2-24175.6-59.20000112.1F54 P55 E57 P58 S194 Y195F54-S60 WeakPolarHBondContact CZ-O 3.28Å; P55-S60 VanDerWaalsContact O-CB 3.3Å; P55-S60 WeakPolarHBondContact O-CB 3.28Å; P55-S60 PolarHBondContact O-OG 2.93Å; E57-S60 WeakPolarHBondContact O-CB 3.41Å; E57-S60 PolarHBondContact O-N 3.01Å; P58-S60 PolarHBondContact O-N 3.47Å; S60-S194 CarbonylContact O-C 3.56Å; S60-S194 VanDerWaalsContact O-CA 3.23Å; S60-S194 WeakPolarHBondContact O-CA 3.19Å; S60-S194 WeakPolarHBondContact O-CB 3.19Å; S60-Y195 WeakPolarHBondContact O-CD2 3.47Å; S60-Y195 PolarHBondContact O-N 3.41Å
61L94.8Very high92Very high4 Ų460 Ų602%0.02133%0.33CS..Hα-helixtrans-75.7-47172.9-60.4175.5000111P58 P59 L66 T73 V76 W78 P162 F170 Y195 E196P58-L61 WeakPolarHBondContact O-CB 3.21Å; P58-L61 PolarHBondContact O-N 2.66Å; P59-L61 VanDerWaalsContact C-N 3.31Å; L61-L66 HydrophobicContact CB-CB 4.31Å; L61-T73 HydrophobicContact CB-CG2 4.29Å; L61-T73 HydrophobicContact CD1-CG2 3.84Å; L61-V76 HydrophobicContact CD1-CB 4.41Å; L61-V76 HydrophobicContact CD1-CG1 4.03Å; L61-W78 HydrophobicContact CD2-CH2 4.34Å; L61-W78 HydrophobicContact CD2-CZ2 3.74Å; L61-W78 HydrophobicContact CG-CZ2 4.01Å; L61-P162 HydrophobicContact CD2-CB 3.81Å; L61-P162 HydrophobicContact CD2-CG 3.57Å; L61-F170 HydrophobicContact CD2-CE2 3.99Å; L61-F170 HydrophobicContact CD2-CZ 4.27Å; L61-Y195 HydrophobicContact CD2-CD2 4.32Å; L61-Y195 WeakPolarHBondContact O-CB 3.43Å; L61-Y195 PolarHBondContact O-N 3.44Å; L61-E196 WeakPolarHBondContact O-CB 3.12Å; L61-E196 PolarHBondContact O-N 3.28Å
62G92.8Very high91.4Very high4 Ų464.6 Ų64.64%0.04135%0.349CS..  trans168.4-165.5-179.800000116P58 L66 E196P58-G62 PolarHBondContact O-N 3.49Å; G62-L66 CarbonylContact C-O 3.53Å; G62-L66 WeakPolarHBondContact CA-O 3.44Å; G62-L66 PolarHBondContact N-O 2.89Å; G62-E196 WeakPolarHBondContact CA-OE2 3.3Å
63F89.6Confident91.2Very high76 Ų7660.4 Ų60.433%0.33332%0.322SS..SBendtrans-139.1-9.9-167.754.1-97000114.5E196 R423 R424F63-E196 HydrophobicContact CE1-CB 4.3Å; F63-E196 HydrophobicContact CE1-CG 4.43Å; F63-E196 HydrophobicContact CZ-CG 4.44Å; F63-E196 PolarHBondContact N-OE2 2.92Å; F63-R423 HydrophobicContact CE2-CB 4.46Å; F63-R423 HydrophobicContact CZ-CB 3.84Å; F63-R424 HydrophobicContact CB-CB 4.42Å; F63-R424 HydrophobicContact CD1-CB 3.96Å; F63-R424 HydrophobicContact CD2-CB 4.24Å; F63-R424 HydrophobicContact CE1-CB 4.29Å; F63-R424 HydrophobicContact CG-CB 3.93Å
64K88.9Confident90.8Very high149 Ų14965.4 Ų65.465%0.64833%0.332SS*.SBendtrans-135.7-79.7177.9179.4-169.5174.3-169.50112.4A67 E196K64-A67 WeakPolarHBondContact O-CB 3.44Å; K64-A67 PolarHBondContact O-N 3Å; K64-E196 VanDerWaalsContact CB-OE1 3.31Å; K64-E196 WeakPolarHBondContact CB-OE1 3.4Å; K64-E196 PolarHBondContact N-OE1 3.26Å; K64-E196 PolarHBondContact N-OE2 3.01Å
65E88.9Confident90.4Very high95 Ų9570.5 Ų70.544%0.44436%0.36SS..THydrogen-bonded Turntrans-71.4-35.5177.1-65.9-63.7136.300111.3S70 K72 E196E65-S70 WeakPolarHBondContact O-CB 3.38Å; E65-S70 PolarHBondContact O-OG 3.11Å; E65-K72 IonicContact OE2-NZ 2.76Å; E65-K72 PolarHBondContact OE2-NZ 3.24Å; E65-K72 VanDerWaalsContact OE2-NZ 3.15Å; E65-E196 WeakPolarHBondContact CB-OE1 3.37Å; E65-E196 PolarHBondContact N-OE1 3.19Å; E65-E196 PolarHBondContact N-OE2 3.47Å
66L91.1Very high90.3Very high10 Ų1069.6 Ų69.65%0.05235%0.353CS..THydrogen-bonded Turntrans-104.525.7173.1-57.4179.7000111.5L61 G62 K72 T73 L105 M169 F170 E196L61-L66 HydrophobicContact CB-CB 4.31Å; G62-L66 CarbonylContact C-O 3.53Å; G62-L66 WeakPolarHBondContact CA-O 3.44Å; G62-L66 PolarHBondContact N-O 2.89Å; L66-K72 HydrophobicContact CD2-CB 3.89Å; L66-K72 HydrophobicContact CD2-CD 4.21Å; L66-T73 HydrophobicContact CB-CG2 3.85Å; L66-T73 HydrophobicContact CD2-CG2 3.93Å; L66-T73 WeakPolarHBondContact O-CG2 3.2Å; L66-L105 HydrophobicContact CD1-CD1 4.06Å; L66-M169 HydrophobicContact CD2-CE 3.78Å; L66-F170 HydrophobicContact CD1-CE1 4.1Å; L66-F170 HydrophobicContact CD1-CZ 3.96Å; L66-E196 HydrophobicContact CB-CB 4.17Å; L66-E196 HydrophobicContact CD1-CB 4.11Å; L66-E196 HydrophobicContact CG-CB 4.38Å; L66-E196 PolarHBondContact N-OE2 3.42Å
67A88.6Confident90.2Very high20 Ų2074.4 Ų74.417%0.16537%0.371CS..  trans-59.7159.6173.400000111.8K64 Y69 S70 T73K64-A67 WeakPolarHBondContact O-CB 3.44Å; K64-A67 PolarHBondContact O-N 3Å; A67-Y69 PolarHBondContact O-N 2.97Å; A67-S70 WeakPolarHBondContact O-CB 3.47Å; A67-S70 PolarHBondContact O-N 3.36Å; A67-S70 VanDerWaalsContact O-N 3.14Å; A67-T73 PolarHBondContact O-OG1 3.47Å
68P85.6Confident90.3Very high59 Ų5971.2 Ų71.238%0.38335%0.354SS..THydrogen-bonded Turntrans-54133171.7-20.729.5000111.4P58 S70P58-P68 HydrophobicContact CB-CB 3.73Å; P58-P68 HydrophobicContact CB-CG 3.72Å; P58-P68 HydrophobicContact CG-CB 4.48Å; P68-S70 PolarHBondContact O-N 3.45Å
69Y79.1Confident90.6Very high219 Ų21970.4 Ų70.486%0.85935%0.346SS*.THydrogen-bonded Turntrans64.617-179.9-44-78.1000115.6A67A67-Y69 PolarHBondContact O-N 2.97Å
70S88.7Confident90.9Very high22 Ų2267.5 Ų67.515%0.15433%0.325CS..  trans-66158.1167.693.40000110E65 A67 P68 K72 T73 R74E65-S70 WeakPolarHBondContact O-CB 3.38Å; E65-S70 PolarHBondContact O-OG 3.11Å; A67-S70 WeakPolarHBondContact O-CB 3.47Å; A67-S70 PolarHBondContact O-N 3.36Å; A67-S70 VanDerWaalsContact O-N 3.14Å; P68-S70 PolarHBondContact O-N 3.45Å; S70-K72 PolarHBondContact O-N 3.49Å; S70-K72 VanDerWaalsContact O-N 3.13Å; S70-K72 PolarHBondContact OG-N 3.16Å; S70-T73 PolarHBondContact N-OG1 3.01Å; S70-T73 PolarHBondContact O-N 3.02Å; S70-T73 PolarHBondContact O-OG1 3.22Å; S70-T73 PolarHBondContact OG-N 2.85Å; S70-T73 PolarHBondContact OG-OG1 3.22Å; S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 3.47Å
71S87.4Confident90.9Very high108 Ų10867.2 Ų67.276%0.75532%0.323SS*.THydrogen-bonded Turntrans-59.8-24.8176.255.20000112.8K164S71-K164 PolarHBondContact O-NZ 3.4Å
72K87.2Confident91Very high97 Ų9770 Ų7042%0.42234%0.34SS..THydrogen-bonded Turntrans-78.3-39.4178.7-66.5178.8178.4168.80111.6E65 L66 S70 K164E65-K72 IonicContact OE2-NZ 2.76Å; E65-K72 PolarHBondContact OE2-NZ 3.24Å; E65-K72 VanDerWaalsContact OE2-NZ 3.15Å; L66-K72 HydrophobicContact CD2-CB 3.89Å; L66-K72 HydrophobicContact CD2-CD 4.21Å; S70-K72 PolarHBondContact O-N 3.49Å; S70-K72 VanDerWaalsContact O-N 3.13Å; S70-K72 PolarHBondContact OG-N 3.16Å; K72-K164 PolarHBondContact O-NZ 2.94Å
73T90.6Very high91.1Very high13 Ų1375.4 Ų75.48%0.0836%0.364CS..THydrogen-bonded Turntrans-95.7-6.3-175.657.90000114.7L61 L66 A67 S70 D75 V76L61-T73 HydrophobicContact CB-CG2 4.29Å; L61-T73 HydrophobicContact CD1-CG2 3.84Å; L66-T73 HydrophobicContact CB-CG2 3.85Å; L66-T73 HydrophobicContact CD2-CG2 3.93Å; L66-T73 WeakPolarHBondContact O-CG2 3.2Å; A67-T73 PolarHBondContact O-OG1 3.47Å; S70-T73 PolarHBondContact N-OG1 3.01Å; S70-T73 PolarHBondContact O-N 3.02Å; S70-T73 PolarHBondContact O-OG1 3.22Å; S70-T73 PolarHBondContact OG-N 2.85Å; S70-T73 PolarHBondContact OG-OG1 3.22Å; T73-D75 PolarHBondContact O-N 3.28Å; T73-V76 WeakPolarHBondContact O-CB 3.45Å; T73-V76 WeakPolarHBondContact O-CG2 3.47Å; T73-V76 PolarHBondContact O-N 3.43Å
74R87.4Confident91.3Very high167 Ų16774.6 Ų74.663%0.6336%0.363SS*.THydrogen-bonded Turntrans-60.6135.5171.8-165.9-170.1170.3156.62.3110S70 V76 K164S70-R74 WeakPolarHBondContact O-CB 3.22Å; S70-R74 PolarHBondContact O-N 3.47Å; R74-V76 PolarHBondContact O-N 3.46Å; R74-K164 WeakPolarHBondContact O-CE 3.35Å; R74-K164 PolarHBondContact O-NZ 3.08Å
75D89.9Confident91.5Very high114 Ų11469.6 Ų69.661%0.6135%0.345SS*.THydrogen-bonded Turntrans63.123.9178-45.9-46.5000113.3T73T73-D75 PolarHBondContact O-N 3.28Å
76V93.8Very high91.7Very high26 Ų2669.2 Ų69.216%0.15837%0.367CS..  trans-80.3129.1169.4173.40000109.5L61 T73 R74 P162 V163 K164 M169L61-V76 HydrophobicContact CD1-CB 4.41Å; L61-V76 HydrophobicContact CD1-CG1 4.03Å; T73-V76 WeakPolarHBondContact O-CB 3.45Å; T73-V76 WeakPolarHBondContact O-CG2 3.47Å; T73-V76 PolarHBondContact O-N 3.43Å; R74-V76 PolarHBondContact O-N 3.46Å; V76-P162 HydrophobicContact CG1-CB 4.01Å; V76-V163 WeakPolarHBondContact CA-O 3.25Å; V76-K164 HydrophobicContact CG2-CB 4.4Å; V76-K164 HydrophobicContact CG2-CD 4.33Å; V76-M169 HydrophobicContact CG2-SD 3.8Å
77E95.4Very high91.8Very high129 Ų12972.8 Ų72.860%0.60339%0.386SS*.EExtended strand (participates in β ladder)trans-111153.4173.9-62.3-175.3160.200109.3M79 V163E77-M79 HydrophobicContact CB-CG 4.45Å; E77-V163 PolarHBondContact N-O 3.48Å; E77-V163 PolarHBondContact O-N 2.93Å
78W97.3Very high92.1Very high43 Ų4372.3 Ų72.316%0.16338%0.381CS..EExtended strand (participates in β ladder)trans-107.1112.1175-7380.6000108.1F54 A56 L61 R160 L161 P162 Y195F54-W78 HydrophobicContact CE1-CH2 4.43Å; A56-W78 HydrophobicContact CB-CB 3.74Å; A56-W78 HydrophobicContact CB-CD2 3.63Å; A56-W78 HydrophobicContact CB-CE3 3.93Å; A56-W78 HydrophobicContact CB-CG 3.56Å; L61-W78 HydrophobicContact CD2-CH2 4.34Å; L61-W78 HydrophobicContact CD2-CZ2 3.74Å; L61-W78 HydrophobicContact CG-CZ2 4.01Å; W78-R160 HydrophobicContact CB-CB 4.33Å; W78-R160 HydrophobicContact CE3-CB 4.13Å; W78-R160 VanDerWaalsContact CE3-O 3.28Å; W78-R160 WeakPolarHBondContact CZ3-O 3.45Å; W78-L161 WeakPolarHBondContact CA-O 3.35Å; W78-P162 HydrophobicContact CD2-CG 4.22Å; W78-P162 HydrophobicContact CE3-CG 3.99Å; W78-P162 HydrophobicContact CH2-CG 3.73Å; W78-P162 HydrophobicContact CZ2-CG 3.95Å; W78-P162 HydrophobicContact CZ3-CG 3.74Å; W78-Y195 HydrophobicContact CH2-CE2 4.06Å
79M97.7Very high92.5Very high41 Ų4171.7 Ų71.720%0.20237%0.373CS..EExtended strand (participates in β ladder)trans-122.7148.8-175.1-62-175.167.100110.9E77 E83 L84 R160 L161 V163E77-M79 HydrophobicContact CB-CG 4.45Å; M79-E83 VanDerWaalsContact CA-OE2 3.23Å; M79-E83 WeakPolarHBondContact CA-OE2 3.39Å; M79-E83 HydrophobicContact CE-CB 3.74Å; M79-L84 HydrophobicContact CB-CD2 4.15Å; M79-L84 HydrophobicContact CB-CG 4.23Å; M79-L84 HydrophobicContact CE-CD2 3.84Å; M79-L84 HydrophobicContact SD-CD2 3.78Å; M79-R160 CarbonylContact O-C 3.56Å; M79-L161 PolarHBondContact N-O 3.21Å; M79-L161 PolarHBondContact O-N 3.37Å; M79-V163 HydrophobicContact CB-CG2 4.11Å; M79-V163 HydrophobicContact CG-CB 4.41Å; M79-V163 HydrophobicContact CG-CG2 4.44Å; M79-V163 HydrophobicContact SD-CB 4.35Å; M79-V163 HydrophobicContact SD-CG1 4.08Å
80R98Very high93.2Very high16 Ų1661.8 Ų61.86%0.0633%0.334CS..  trans-84.7153.4173-59.4-173.3-176-101.34.1110.4F49 T82 E83 L84 G140 D159 R160F49-R80 PolarHBondContact O-NH1 3.46Å; F49-R80 PolarHBondContact O-NH2 3.32Å; R80-T82 PolarHBondContact O-N 2.87Å; R80-T82 VanDerWaalsContact O-N 3.13Å; R80-E83 HydrophobicContact CB-CG 4.32Å; R80-E83 PolarHBondContact N-OE2 3.28Å; R80-E83 WeakPolarHBondContact O-CA 2.99Å; R80-E83 WeakPolarHBondContact O-CB 3.24Å; R80-E83 PolarHBondContact O-N 2.99Å; R80-L84 PolarHBondContact O-N 2.84Å; R80-G140 PolarHBondContact NH1-O 3.38Å; R80-D159 WeakPolarHBondContact CD-OD1 3.27Å; R80-D159 VanDerWaalsContact CG-OD1 3.23Å; R80-D159 WeakPolarHBondContact CG-OD1 3.37Å; R80-D159 IonicContact CZ-OD1 3.02Å; R80-D159 IonicContact NE-OD1 3.49Å; R80-D159 IonicContact NH1-OD1 3.4Å; R80-D159 PolarHBondContact NH1-OD1 3.37Å; R80-R160 HydrophobicContact CG-CG 3.84Å
81P96.8Very high93.2Very high0 Ų063.2 Ų63.20%034%0.34CS..Hα-helixtrans-50.9-35.9172.3-33.538.8000114.2E83 L84 T85 P88 F134 D159 L161 F179P81-E83 PolarHBondContact O-N 3.44Å; P81-L84 PolarHBondContact O-N 2.85Å; P81-L84 VanDerWaalsContact O-N 3.13Å; P81-T85 PolarHBondContact O-N 2.58Å; P81-P88 HydrophobicContact CB-CB 3.71Å; P81-F134 HydrophobicContact CB-CD1 4.44Å; P81-F134 HydrophobicContact CB-CE1 3.75Å; P81-F134 HydrophobicContact CB-CZ 3.87Å; P81-F134 HydrophobicContact CG-CE1 3.7Å; P81-F134 HydrophobicContact CG-CZ 3.69Å; P81-D159 WeakPolarHBondContact CD-O 3.29Å; P81-L161 HydrophobicContact CG-CD1 4.28Å; P81-F179 HydrophobicContact CB-CD1 3.96Å; P81-F179 HydrophobicContact CB-CD2 3.78Å; P81-F179 HydrophobicContact CB-CE1 3.97Å; P81-F179 HydrophobicContact CB-CE2 3.8Å; P81-F179 HydrophobicContact CB-CG 3.87Å; P81-F179 HydrophobicContact CB-CZ 3.9Å; P81-F179 HydrophobicContact CG-CB 4.21Å; P81-F179 HydrophobicContact CG-CD1 3.71Å; P81-F179 HydrophobicContact CG-CD2 4.22Å; P81-F179 HydrophobicContact CG-CE1 4.1Å; P81-F179 HydrophobicContact CG-CG 3.78Å
82T95.8Very high92.7Very high63 Ų6361 Ų6139%0.38732%0.322SS..Hα-helixtrans-65.9-16.417648.80000114.3R80 P88 Y138R80-T82 PolarHBondContact O-N 2.87Å; R80-T82 VanDerWaalsContact O-N 3.13Å; T82-P88 HydrophobicContact CG2-CG 3.83Å; T82-Y138 HydrophobicContact CG2-CE1 4.16Å
83E95.8Very high91.8Very high117 Ų11760.6 Ų60.655%0.54735%0.345SS..Hα-helixtrans-95.7-20.1175.3-59.5169159.300112M79 R80 P81M79-E83 VanDerWaalsContact CA-OE2 3.23Å; M79-E83 WeakPolarHBondContact CA-OE2 3.39Å; M79-E83 HydrophobicContact CE-CB 3.74Å; R80-E83 HydrophobicContact CB-CG 4.32Å; R80-E83 PolarHBondContact N-OE2 3.28Å; R80-E83 WeakPolarHBondContact O-CA 2.99Å; R80-E83 WeakPolarHBondContact O-CB 3.24Å; R80-E83 PolarHBondContact O-N 2.99Å; P81-E83 PolarHBondContact O-N 3.44Å
84L93.3Very high91.2Very high59 Ų5961.7 Ų61.731%0.30936%0.358SS..Hα-helixtrans-91.9-39-177.5-65.6173000112.8M79 R80 P81 V163 L168 F179M79-L84 HydrophobicContact CB-CD2 4.15Å; M79-L84 HydrophobicContact CB-CG 4.23Å; M79-L84 HydrophobicContact CE-CD2 3.84Å; M79-L84 HydrophobicContact SD-CD2 3.78Å; R80-L84 PolarHBondContact O-N 2.84Å; P81-L84 PolarHBondContact O-N 2.85Å; P81-L84 VanDerWaalsContact O-N 3.13Å; L84-V163 HydrophobicContact CD1-CG2 3.95Å; L84-V163 HydrophobicContact CD2-CG1 4.27Å; L84-V163 HydrophobicContact CD2-CG2 4.02Å; L84-L168 HydrophobicContact CD1-CD2 4.07Å; L84-F179 HydrophobicContact CD1-CE1 4.35Å
85T92.4Very high90.8Very high44 Ų4454.3 Ų54.327%0.2733%0.334SS..  trans-136.8153-178.9-176.90000111.7P81 D87 P88 N177 F179P81-T85 PolarHBondContact O-N 2.58Å; T85-D87 VanDerWaalsContact C-N 3.3Å; T85-P88 HydrophobicContact CG2-CB 3.88Å; T85-N177 HydrophobicContact CG2-CB 4.48Å; T85-F179 HydrophobicContact CG2-CE2 3.72Å; T85-F179 HydrophobicContact CG2-CZ 3.84Å
86G92.8Very high90.4Very high87 Ų8751.3 Ų51.390%0.89732%0.319SS*.SBendtrans-77.9-12.6179.100000114.6
87D93.6Very high89.5Confident84 Ų8452.5 Ų52.545%0.44932%0.321SS..SBendtrans-140.768.6-179.5-175.629.8000111T85 Q89 N177T85-D87 VanDerWaalsContact C-N 3.3Å; D87-Q89 PolarHBondContact OD1-NE2 3.15Å; D87-N177 PolarHBondContact O-ND2 3.37Å
88P95.2Very high88.6Confident10 Ų1048.5 Ų48.57%0.06531%0.306CS..  trans-71.2132.5179.329.8-33.6000110.3P81 T82 T85 F134 Q135 F179P81-P88 HydrophobicContact CB-CB 3.71Å; T82-P88 HydrophobicContact CG2-CG 3.83Å; T85-P88 HydrophobicContact CG2-CB 3.88Å; P88-F134 HydrophobicContact CB-CB 4.38Å; P88-F134 HydrophobicContact CB-CD1 4.29Å; P88-F134 HydrophobicContact CB-CD2 4.11Å; P88-F134 HydrophobicContact CB-CE2 4.48Å; P88-F134 HydrophobicContact CB-CG 4.01Å; P88-F134 HydrophobicContact CG-CB 4.01Å; P88-F134 HydrophobicContact CG-CD1 4.35Å; P88-F134 HydrophobicContact CG-CG 4.11Å; P88-F134 WeakPolarHBondContact O-CB 3.32Å; P88-Q135 PolarHBondContact O-NE2 3.11Å; P88-F179 HydrophobicContact CB-CD2 4.2Å; P88-F179 HydrophobicContact CB-CE2 3.94Å
89Q94.4Very high87.7Confident46 Ų4646.7 Ų46.722%0.21530%0.299CS..BIsolated β-bridgetrans-119.1141.9179.8-63.5-64.7-31.900109.5D87 V92 F134 Q135 N177 E178 F179D87-Q89 PolarHBondContact OD1-NE2 3.15Å; Q89-V92 HydrophobicContact CB-CG2 3.23Å; Q89-V92 HydrophobicContact CG-CG2 3.59Å; Q89-F134 VanDerWaalsContact C-CD2 3.48Å; Q89-F134 WeakPolarHBondContact O-CE2 3.29Å; Q89-Q135 VanDerWaalsContact NE2-NE2 3.19Å; Q89-N177 WeakPolarHBondContact CB-O 3.13Å; Q89-N177 PolarHBondContact N-O 3.38Å; Q89-E178 WeakPolarHBondContact O-CA 3.49Å; Q89-F179 PolarHBondContact O-N 3Å; Q89-F179 VanDerWaalsContact O-N 3.09Å
90F93.3Very high86.9Confident11 Ų1144.7 Ų44.75%0.04829%0.289CS..SBendtrans-74.1-57.9175.2-172.9-114000109.2V128 Q132 F134 F142 F144 E178 W180 L183F90-V128 HydrophobicContact CE1-CG1 3.64Å; F90-V128 HydrophobicContact CZ-CG1 3.74Å; F90-Q132 HydrophobicContact CD1-CB 3.84Å; F90-Q132 HydrophobicContact CE1-CB 3.7Å; F90-Q132 HydrophobicContact CE1-CG 4.46Å; F90-Q132 HydrophobicContact CE2-CB 4.42Å; F90-Q132 HydrophobicContact CG-CB 4.27Å; F90-Q132 HydrophobicContact CZ-CB 4Å; F90-F134 HydrophobicContact CB-CD2 4.21Å; F90-F134 HydrophobicContact CB-CE2 4.13Å; F90-F134 HydrophobicContact CD2-CE2 4.37Å; F90-F142 AromaticContact CD2-CD1 3.7Å; F90-F142 HydrophobicContact CD2-CD1 3.7Å; F90-F142 AromaticContact CD2-CE1 3.45Å; F90-F142 HydrophobicContact CD2-CE1 3.45Å; F90-F142 VanDerWaalsContact CD2-CE1 3.45Å; F90-F142 HydrophobicContact CD2-CZ 4.38Å; F90-F142 AromaticContact CE2-CD1 3.49Å; F90-F142 HydrophobicContact CE2-CD1 3.49Å; F90-F142 VanDerWaalsContact CE2-CD1 3.49Å; F90-F142 AromaticContact CE2-CE1 3.78Å; F90-F142 HydrophobicContact CE2-CE1 3.78Å; F90-F142 HydrophobicContact CE2-CG 4.4Å; F90-F142 HydrophobicContact CG-CE1 4.15Å; F90-F142 HydrophobicContact CZ-CD1 4.24Å; F90-F144 HydrophobicContact CE2-CZ 4.09Å; F90-F144 HydrophobicContact CZ-CE1 4.1Å; F90-F144 HydrophobicContact CZ-CZ 4.01Å; F90-E178 WeakPolarHBondContact O-CG 3.07Å; F90-W180 HydrophobicContact CD1-CB 4.4Å; F90-W180 HydrophobicContact CD2-CB 4.12Å; F90-W180 HydrophobicContact CE1-CB 4.18Å; F90-W180 HydrophobicContact CE2-CB 3.89Å; F90-W180 HydrophobicContact CG-CB 4.38Å; F90-W180 HydrophobicContact CZ-CB 3.92Å; F90-W180 VanDerWaalsContact O-CB 3.23Å; F90-W180 WeakPolarHBondContact O-CB 3.5Å; F90-W180 VanDerWaalsContact O-CD1 3.31Å; F90-W180 PolarHBondContact O-N 2.88Å; F90-W180 VanDerWaalsContact O-N 3.08Å; F90-L183 HydrophobicContact CD2-CD1 4.11Å; F90-L183 HydrophobicContact CE2-CD1 3.94Å
91I89.9Confident86.1Confident53 Ų5344.7 Ų44.727%0.27229%0.291SS..  trans-134.6134174.9-64.3170.6000108.7G94 A95 V128 E178 W180I91-G94 VanDerWaalsContact CG2-C 3.48Å; I91-A95 HydrophobicContact CD1-CB 4.06Å; I91-A95 HydrophobicContact CG1-CB 4.22Å; I91-A95 HydrophobicContact CG2-CB 3.88Å; I91-V128 HydrophobicContact CD1-CG1 4.23Å; I91-E178 VanDerWaalsContact CA-OE1 3.28Å; I91-E178 WeakPolarHBondContact CA-OE1 3.38Å; I91-W180 HydrophobicContact CD1-CB 4.44Å; I91-W180 HydrophobicContact CD1-CG 4.41Å; I91-W180 HydrophobicContact CG1-CB 3.78Å; I91-W180 HydrophobicContact CG1-CG 3.71Å
92V76.8Confident85.6Confident62 Ų6246 Ų4638%0.37630%0.297SS..SBendtrans-119119.7178.8-176.70000110.4Q89 G94 E178Q89-V92 HydrophobicContact CB-CG2 3.23Å; Q89-V92 HydrophobicContact CG-CG2 3.59Å; V92-G94 PolarHBondContact O-N 2.85Å; V92-E178 HydrophobicContact CG2-CB 4.36Å; V92-E178 PolarHBondContact N-OE1 2.85Å
93G68.6Low85Confident88 Ų8844.1 Ų44.191%0.90729%0.291SS*.SBendtrans71.510.8174.400000115.3
94G76.9Confident84.2Confident35 Ų3542 Ų4236%0.36129%0.294SS..SBendtrans100.2146.9-172.100000110.2I91 V92 T96I91-G94 VanDerWaalsContact CG2-C 3.48Å; V92-G94 PolarHBondContact O-N 2.85Å; G94-T96 WeakPolarHBondContact O-CG2 3.45Å; G94-T96 PolarHBondContact O-N 3.03Å
95A79.2Confident83.9Confident13 Ų1339.7 Ų39.711%0.10728%0.281CS..  trans-82.8115.6-179.100000109I91 D99 L124 W180I91-A95 HydrophobicContact CD1-CB 4.06Å; I91-A95 HydrophobicContact CG1-CB 4.22Å; I91-A95 HydrophobicContact CG2-CB 3.88Å; A95-D99 WeakPolarHBondContact CA-OD2 3.47Å; A95-L124 HydrophobicContact CB-CD2 3.52Å; A95-W180 HydrophobicContact CB-CD2 4.13Å; A95-W180 HydrophobicContact CB-CH2 4.27Å; A95-W180 HydrophobicContact CB-CZ2 3.6Å
96T81Confident83.4Confident50 Ų5038.8 Ų38.831%0.30728%0.281SS..  trans-119.3163.5-171.976.30000111.4G94 T98 D99G94-T96 WeakPolarHBondContact O-CG2 3.45Å; G94-T96 PolarHBondContact O-N 3.03Å; T96-T98 PolarHBondContact O-N 3.23Å; T96-T98 PolarHBondContact OG1-N 2.9Å; T96-T98 PolarHBondContact OG1-OG1 2.99Å; T96-D99 PolarHBondContact N-OD2 2.97Å; T96-D99 WeakPolarHBondContact O-CB 3.35Å; T96-D99 PolarHBondContact O-N 3.02Å; T96-D99 VanDerWaalsContact O-N 3.15Å; T96-D99 PolarHBondContact OG1-OD1 3.01Å
97R75.8Confident83.1Confident51 Ų5134.7 Ų34.719%0.19224%0.238CC..G310 helixtrans-59.6-28.1178.161-159-178.2-70.8-5.8113D99 I100 A115 T118 R288 E326R97-D99 PolarHBondContact O-N 3.09Å; R97-I100 WeakPolarHBondContact O-CB 3.45Å; R97-I100 PolarHBondContact O-N 3.41Å; R97-A115 HydrophobicContact CB-CB 4.12Å; R97-T118 WeakPolarHBondContact CB-OG1 3.28Å; R97-T118 PolarHBondContact N-OG1 3.43Å; R97-T118 VanDerWaalsContact N-OG1 3.13Å; R97-R288 PolarHBondContact O-NH1 3.31Å; R97-R288 PolarHBondContact O-NH2 3.39Å; R97-E326 IonicContact CZ-OE1 3.56Å; R97-E326 IonicContact CZ-OE2 3.12Å; R97-E326 IonicContact NE-OE1 3.57Å; R97-E326 PolarHBondContact NE-OE1 3.31Å; R97-E326 IonicContact NE-OE2 2.76Å; R97-E326 PolarHBondContact NE-OE2 3.27Å; R97-E326 IonicContact NH2-OE1 2.68Å; R97-E326 IonicContact NH2-OE2 2.91Å; R97-E326 PolarHBondContact NH2-OE2 3.48Å
98T75.4Confident82.8Confident46 Ų4631.2 Ų31.228%0.28222%0.22SC..G310 helixtrans-69.3-14.3179.546.60000113.6T96 I100 D324T96-T98 PolarHBondContact O-N 3.23Å; T96-T98 PolarHBondContact OG1-N 2.9Å; T96-T98 PolarHBondContact OG1-OG1 2.99Å; T98-I100 PolarHBondContact O-N 3.25Å; T98-D324 HydrophobicContact CG2-CB 4.15Å
99D78.4Confident82.6Confident4 Ų430.9 Ų30.92%0.02122%0.218CC..G310 helixtrans-76.20.3175.8-38.8-8.5000111.9A95 T96 R97 H172 S173 E178 W180 S181A95-D99 WeakPolarHBondContact CA-OD2 3.47Å; T96-D99 PolarHBondContact N-OD2 2.97Å; T96-D99 WeakPolarHBondContact O-CB 3.35Å; T96-D99 PolarHBondContact O-N 3.02Å; T96-D99 VanDerWaalsContact O-N 3.15Å; T96-D99 PolarHBondContact OG1-OD1 3.01Å; R97-D99 PolarHBondContact O-N 3.09Å; D99-H172 CarbonylContact O-C 3.59Å; D99-S173 WeakPolarHBondContact O-CA 3.41Å; D99-E178 WeakPolarHBondContact CB-OE2 3.25Å; D99-W180 HydrophobicContact CB-CZ2 4.05Å; D99-W180 PolarHBondContact OD2-NE1 3.42Å; D99-S181 PolarHBondContact O-OG 2.91Å
100I82.5Confident82.5Confident0 Ų028.7 Ų28.70%021%0.208CC..  trans-11798.1-175-46.1-58.1000109.5R97 T98 L111 I114 V171 W180 R288R97-I100 WeakPolarHBondContact O-CB 3.45Å; R97-I100 PolarHBondContact O-N 3.41Å; T98-I100 PolarHBondContact O-N 3.25Å; I100-L111 HydrophobicContact CG2-CB 3.78Å; I100-L111 HydrophobicContact CG2-CD2 3.81Å; I100-L111 HydrophobicContact CG2-CG 4.31Å; I100-I114 HydrophobicContact CD1-CB 4.3Å; I100-I114 HydrophobicContact CD1-CG2 3.42Å; I100-I114 VanDerWaalsContact CD1-CG2 3.42Å; I100-I114 HydrophobicContact CG1-CG2 3.97Å; I100-V171 HydrophobicContact CG2-CG2 4.09Å; I100-W180 HydrophobicContact CD1-CH2 3.84Å; I100-W180 HydrophobicContact CD1-CZ2 3.94Å; I100-R288 PolarHBondContact O-NH2 3Å
101C81.3Confident82.3Confident16 Ų1628.2 Ų28.211%0.10821%0.205CC..BIsolated β-bridgetrans-120122.8169.3-660000110.1G103 V171 H172C101-G103 PolarHBondContact O-N 3.26Å; C101-V171 WeakPolarHBondContact O-CA 3.47Å; C101-H172 WeakPolarHBondContact CB-O 3.11Å; C101-H172 PolarHBondContact N-O 3.27Å; C101-H172 PolarHBondContact O-N 2.96Å
102Q84.3Confident82.2Confident26 Ų2625.7 Ų25.712%0.12119%0.192CC..  trans-64.2132.5-179.7-172.1171-15.100112.4L105 L111 P290Q102-L105 PolarHBondContact NE2-O 2.7Å; Q102-L111 VanDerWaalsContact CA-CD1 3.41Å; Q102-L111 HydrophobicContact CB-CD1 3.3Å; Q102-L111 HydrophobicContact CG-CD1 3.41Å; Q102-L111 VanDerWaalsContact CG-CD1 3.41Å; Q102-P290 PolarHBondContact N-O 2.95Å
103G84.4Confident82.9Confident24 Ų2422.7 Ų22.725%0.24718%0.175CC..  trans-89-145.5170.400000113.3C101 L105 F170C101-G103 PolarHBondContact O-N 3.26Å; G103-L105 VanDerWaalsContact C-N 3.28Å; G103-L105 PolarHBondContact O-N 2.9Å; G103-F170 WeakPolarHBondContact CA-O 3.16Å
104A79.7Confident83.9Confident74 Ų7418.6 Ų18.661%0.61213%0.132SC*.SBendtrans-83.49.1-173.100000115.2M169A104-M169 HydrophobicContact CB-CG 4.45Å; A104-M169 PolarHBondContact N-O 3.09Å
105L85.3Confident84.4Confident10 Ų1016.9 Ų16.95%0.05211%0.114CC..SBendtrans-103.6142.4-177.7-173.758.6000110.9L66 Q102 G103 D107 F170 Y195 L198L66-L105 HydrophobicContact CD1-CD1 4.06Å; Q102-L105 PolarHBondContact NE2-O 2.7Å; G103-L105 VanDerWaalsContact C-N 3.28Å; G103-L105 PolarHBondContact O-N 2.9Å; L105-D107 HydrophobicContact CD2-CB 4.23Å; L105-D107 WeakPolarHBondContact CD2-OD2 3.33Å; L105-D107 HydrophobicContact CG-CB 4.06Å; L105-D107 PolarHBondContact O-N 2.95Å; L105-D107 VanDerWaalsContact O-N 3.09Å; L105-F170 HydrophobicContact CB-CD1 3.64Å; L105-F170 HydrophobicContact CB-CE1 3.86Å; L105-F170 HydrophobicContact CD2-CD1 4.16Å; L105-F170 HydrophobicContact CD2-CE1 4.2Å; L105-F170 HydrophobicContact CG-CD1 4.5Å; L105-F170 HydrophobicContact CG-CE1 4.46Å; L105-Y195 HydrophobicContact CD2-CD1 4.25Å; L105-Y195 WeakPolarHBondContact CD2-O 3.27Å; L105-L198 HydrophobicContact CD2-CB 4.22Å
106G83.4Confident84.8Confident25 Ų2516.3 Ų16.326%0.25811%0.11SC..SBendtrans-84.353.217900000112.8S199 G200G106-S199 WeakPolarHBondContact O-CA 3.4Å; G106-G200 PolarHBondContact O-N 3.42Å
107D86.2Confident85.2Confident0 Ų014 Ų140%010%0.095CC..  trans-117.928.9-176.565.9-22000112.7L105 W109 L110 L111 L198L105-D107 HydrophobicContact CD2-CB 4.23Å; L105-D107 WeakPolarHBondContact CD2-OD2 3.33Å; L105-D107 HydrophobicContact CG-CB 4.06Å; L105-D107 PolarHBondContact O-N 2.95Å; L105-D107 VanDerWaalsContact O-N 3.09Å; D107-W109 PolarHBondContact O-N 2.94Å; D107-L110 HydrophobicContact CB-CB 4.47Å; D107-L110 WeakPolarHBondContact O-CB 3.39Å; D107-L110 PolarHBondContact O-N 3.46Å; D107-L111 PolarHBondContact O-N 2.87Å; D107-L198 HydrophobicContact CB-CB 4.04Å
108C87.4Confident85.7Confident11 Ų1112.2 Ų12.27%0.0749%0.09CC..Hα-helixtrans-46-33.6174.458.50000114.6L110 L111 A112 H265 P290C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 3.48Å; C108-L111 PolarHBondContact O-N 2.83Å; C108-A112 WeakPolarHBondContact O-CB 3.48Å; C108-A112 PolarHBondContact O-N 3.48Å; C108-H265 WeakPolarHBondContact CB-CE1 3.24Å; C108-H265 WeakPolarHBondContact CB-ND1 3.41Å; C108-H265 PolarHBondContact SG-ND1 3.49Å; C108-H265 VanDerWaalsContact SG-ND1 3.43Å; C108-P290 HydrophobicContact CB-CG 4.4Å
109W91Very high86Confident4 Ų413.4 Ų13.42%0.01510%0.095CC..Hα-helixtrans-60.3-38.6175.669.3-88.1000112.9D107 A113 Y188 L198 G201 T203 E205 A266D107-W109 PolarHBondContact O-N 2.94Å; W109-A113 PolarHBondContact O-N 3.22Å; W109-Y188 AromaticContact CH2-CE1 3.67Å; W109-Y188 HydrophobicContact CH2-CE1 3.67Å; W109-Y188 HydrophobicContact CZ2-CE1 4.33Å; W109-Y188 HydrophobicContact CZ3-CE1 4.46Å; W109-L198 PolarHBondContact NE1-O 3.2Å; W109-G201 WeakPolarHBondContact CB-O 3.36Å; W109-G201 VanDerWaalsContact CD1-N 3.3Å; W109-T203 WeakPolarHBondContact O-CG2 3.47Å; W109-E205 HydrophobicContact CE3-CB 4.17Å; W109-E205 HydrophobicContact CH2-CB 4.2Å; W109-E205 HydrophobicContact CZ3-CB 3.6Å; W109-A266 HydrophobicContact CB-CB 4.32Å
110L91.1Very high86.3Confident0 Ų014.5 Ų14.50%010%0.1CC..Hα-helixtrans-72.7-43.6177.4-178.365.4000109.9D107 C108 A113 I114 E185 Y188 L198 F210D107-L110 HydrophobicContact CB-CB 4.47Å; D107-L110 WeakPolarHBondContact O-CB 3.39Å; D107-L110 PolarHBondContact O-N 3.46Å; C108-L110 VanDerWaalsContact C-N 3.32Å; C108-L110 PolarHBondContact O-N 3.48Å; L110-A113 CarbonylContact O-C 3.58Å; L110-A113 WeakPolarHBondContact O-CA 3.3Å; L110-A113 WeakPolarHBondContact O-CB 3.38Å; L110-A113 PolarHBondContact O-N 3.31Å; L110-I114 HydrophobicContact CG-CD1 4.09Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 3.27Å; L110-E185 HydrophobicContact CD2-CG 4.37Å; L110-Y188 HydrophobicContact CD1-CD1 3.71Å; L110-Y188 HydrophobicContact CD1-CE1 3.69Å; L110-Y188 HydrophobicContact CD1-CG 4.2Å; L110-Y188 HydrophobicContact CD2-CD1 3.53Å; L110-Y188 HydrophobicContact CD2-CE1 4.14Å; L110-Y188 HydrophobicContact CD2-CG 4.23Å; L110-Y188 HydrophobicContact CG-CD1 4.29Å; L110-L198 HydrophobicContact CD2-CD1 3.94Å; L110-F210 HydrophobicContact CD1-CE1 4.33Å; L110-F210 HydrophobicContact CD1-CE2 4.19Å; L110-F210 HydrophobicContact CD1-CZ 3.51Å
111L89.1Confident86.3Confident0 Ų021.2 Ų21.20%013%0.132CC..Hα-helixtrans-66.3-40.1-179.2-60.1177.8000112.6I100 Q102 D107 C108 A113 I114 A115 V171 P290I100-L111 HydrophobicContact CG2-CB 3.78Å; I100-L111 HydrophobicContact CG2-CD2 3.81Å; I100-L111 HydrophobicContact CG2-CG 4.31Å; Q102-L111 VanDerWaalsContact CA-CD1 3.41Å; Q102-L111 HydrophobicContact CB-CD1 3.3Å; Q102-L111 HydrophobicContact CG-CD1 3.41Å; Q102-L111 VanDerWaalsContact CG-CD1 3.41Å; D107-L111 PolarHBondContact O-N 2.87Å; C108-L111 PolarHBondContact O-N 2.83Å; L111-A113 PolarHBondContact O-N 3.29Å; L111-I114 HydrophobicContact CD2-CD1 4.36Å; L111-I114 PolarHBondContact O-N 3.03Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.48Å; L111-V171 HydrophobicContact CD2-CB 3.72Å; L111-V171 HydrophobicContact CD2-CG1 4.45Å; L111-V171 HydrophobicContact CD2-CG2 3.46Å; L111-V171 VanDerWaalsContact CD2-CG2 3.46Å; L111-P290 HydrophobicContact CB-CB 3.74Å
112A88.4Confident86.5Confident0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-61.4-36.7170.500000111.2C108 S116 T203 A266 S268 P290C108-A112 WeakPolarHBondContact O-CB 3.48Å; C108-A112 PolarHBondContact O-N 3.48Å; A112-S116 PolarHBondContact O-N 3.28Å; A112-S116 PolarHBondContact O-OG 2.9Å; A112-T203 HydrophobicContact CB-CG2 3.86Å; A112-A266 HydrophobicContact CB-CB 3.74Å; A112-S268 WeakPolarHBondContact CA-OG 3.3Å; A112-S268 PolarHBondContact O-OG 2.95Å; A112-P290 HydrophobicContact CB-CB 4.49Å; A112-P290 HydrophobicContact CB-CG 4.2Å
113A91.8Very high86.5Confident0 Ų027.6 Ų27.60%015%0.153CC..Hα-helixtrans-66.5-44.1174.600000112.7W109 L110 L111 S116 L117 T203 F207 F210W109-A113 PolarHBondContact O-N 3.22Å; L110-A113 CarbonylContact O-C 3.58Å; L110-A113 WeakPolarHBondContact O-CA 3.3Å; L110-A113 WeakPolarHBondContact O-CB 3.38Å; L110-A113 PolarHBondContact O-N 3.31Å; L111-A113 PolarHBondContact O-N 3.29Å; A113-S116 PolarHBondContact O-N 2.76Å; A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.26Å; A113-T203 HydrophobicContact CB-CG2 4.15Å; A113-F207 HydrophobicContact CB-CD1 3.74Å; A113-F207 HydrophobicContact CB-CE1 3.93Å; A113-F210 HydrophobicContact CB-CD2 4Å; A113-F210 HydrophobicContact CB-CE2 3.64Å
114I90.3Very high86.8Confident1 Ų126.6 Ų26.61%0.00514%0.142CC..Hα-helixtrans-64.1-42.6176.7-62.3167000110I100 L110 L111 S116 L117 T118 W180 L184 F210I100-I114 HydrophobicContact CD1-CB 4.3Å; I100-I114 HydrophobicContact CD1-CG2 3.42Å; I100-I114 VanDerWaalsContact CD1-CG2 3.42Å; I100-I114 HydrophobicContact CG1-CG2 3.97Å; L110-I114 HydrophobicContact CG-CD1 4.09Å; L110-I114 WeakPolarHBondContact O-CG1 3.4Å; L110-I114 PolarHBondContact O-N 3.27Å; L111-I114 HydrophobicContact CD2-CD1 4.36Å; L111-I114 PolarHBondContact O-N 3.03Å; I114-S116 PolarHBondContact O-N 2.92Å; I114-L117 VanDerWaalsContact O-CB 3.27Å; I114-L117 WeakPolarHBondContact O-CB 3.36Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-L117 VanDerWaalsContact O-N 3.11Å; I114-T118 WeakPolarHBondContact O-CG2 3.29Å; I114-T118 PolarHBondContact O-N 3.3Å; I114-W180 HydrophobicContact CG2-CH2 3.59Å; I114-W180 HydrophobicContact CG2-CZ3 3.77Å; I114-L184 HydrophobicContact CD1-CD2 3.88Å; I114-L184 HydrophobicContact CD1-CG 4.41Å; I114-L184 HydrophobicContact CG1-CD2 3.88Å; I114-L184 HydrophobicContact CG2-CD2 3.95Å; I114-F210 HydrophobicContact CB-CE2 4.36Å; I114-F210 HydrophobicContact CD1-CZ 4.3Å; I114-F210 HydrophobicContact CG1-CE2 3.52Å; I114-F210 HydrophobicContact CG1-CZ 3.51Å
115A87Confident87.3Confident0 Ų025.9 Ų25.90%013%0.126CC..Hα-helixtrans-60.3-43.8177.200000112R97 L111 L117 T118R97-A115 HydrophobicContact CB-CB 4.12Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.48Å; A115-L117 VanDerWaalsContact C-N 3.32Å; A115-L117 PolarHBondContact O-N 3.13Å; A115-T118 PolarHBondContact O-N 3.35Å; A115-T118 PolarHBondContact O-OG1 2.95Å
116S87.7Confident87.4Confident1 Ų127.3 Ų27.31%0.00713%0.13CC..Hα-helixtrans-66.4-34.5174.5-59.50000112.3A112 A113 I114 T118 L119 L240 L241 S268A112-S116 PolarHBondContact O-N 3.28Å; A112-S116 PolarHBondContact O-OG 2.9Å; A113-S116 PolarHBondContact O-N 2.76Å; I114-S116 PolarHBondContact O-N 2.92Å; S116-T118 VanDerWaalsContact C-N 3.25Å; S116-T118 PolarHBondContact O-N 2.85Å; S116-L119 VanDerWaalsContact O-CB 3.32Å; S116-L119 WeakPolarHBondContact O-CB 3.35Å; S116-L119 PolarHBondContact O-N 2.7Å; S116-L119 VanDerWaalsContact O-N 3.11Å; S116-L240 WeakPolarHBondContact O-CD2 3.18Å; S116-L241 PolarHBondContact OG-O 2.98Å; S116-L241 VanDerWaalsContact OG-O 3.13Å; S116-S268 VanDerWaalsContact OG-CB 3.28Å; S116-S268 WeakPolarHBondContact OG-CB 3.43Å; S116-S268 PolarHBondContact OG-OG 3.45Å
117L88.3Confident88Confident0 Ų026.1 Ų26.10%012%0.118CC..Hα-helixtrans-58.7-37.2176.8-177.665.8000111.9A113 I114 A115 L119 N120 L123 L124 V127 F210 L240A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.26Å; I114-L117 VanDerWaalsContact O-CB 3.27Å; I114-L117 WeakPolarHBondContact O-CB 3.36Å; I114-L117 PolarHBondContact O-N 3.34Å; I114-L117 VanDerWaalsContact O-N 3.11Å; A115-L117 VanDerWaalsContact C-N 3.32Å; A115-L117 PolarHBondContact O-N 3.13Å; L117-L119 PolarHBondContact O-N 2.99Å; L117-L119 VanDerWaalsContact O-N 3.13Å; L117-N120 CarbonylContact O-C 3.59Å; L117-N120 PolarHBondContact O-N 3.39Å; L117-L123 HydrophobicContact CD1-CB 3.54Å; L117-L124 HydrophobicContact CD2-CD1 3.96Å; L117-L124 HydrophobicContact CG-CB 4.24Å; L117-L124 HydrophobicContact CG-CD1 4.09Å; L117-V127 HydrophobicContact CD2-CB 3.98Å; L117-V127 HydrophobicContact CD2-CG1 4.21Å; L117-V127 HydrophobicContact CD2-CG2 3.96Å; L117-F210 HydrophobicContact CB-CD2 4.47Å; L117-F210 HydrophobicContact CD1-CB 4.12Å; L117-F210 HydrophobicContact CD2-CB 4.17Å; L117-F210 HydrophobicContact CD2-CD2 4.13Å; L117-F210 HydrophobicContact CD2-CG 4.07Å; L117-L240 HydrophobicContact CD1-CD1 4.49Å
118T87Confident88.4Confident14 Ų1426.1 Ų26.19%0.08612%0.118CC..THydrogen-bonded Turntrans-63-17.817871.30000114.2R97 I114 A115 S116 N120 W180R97-T118 WeakPolarHBondContact CB-OG1 3.28Å; R97-T118 PolarHBondContact N-OG1 3.43Å; R97-T118 VanDerWaalsContact N-OG1 3.13Å; I114-T118 WeakPolarHBondContact O-CG2 3.29Å; I114-T118 PolarHBondContact O-N 3.3Å; A115-T118 PolarHBondContact O-N 3.35Å; A115-T118 PolarHBondContact O-OG1 2.95Å; S116-T118 VanDerWaalsContact C-N 3.25Å; S116-T118 PolarHBondContact O-N 2.85Å; T118-N120 PolarHBondContact O-N 2.85Å; T118-W180 HydrophobicContact CG2-CH2 3.81Å; T118-W180 HydrophobicContact CG2-CZ2 4.08Å
119L82.1Confident88.6Confident72 Ų7226.5 Ų26.538%0.37712%0.12SC..THydrogen-bonded Turntrans-73.7-12.6175.7-56.7175.9000112.5S116 L117 T270S116-L119 VanDerWaalsContact O-CB 3.32Å; S116-L119 WeakPolarHBondContact O-CB 3.35Å; S116-L119 PolarHBondContact O-N 2.7Å; S116-L119 VanDerWaalsContact O-N 3.11Å; L117-L119 PolarHBondContact O-N 2.99Å; L117-L119 VanDerWaalsContact O-N 3.13Å; L119-T270 HydrophobicContact CD1-CG2 4.08Å
120N83.3Confident88.5Confident27 Ų2732.9 Ų32.914%0.14415%0.15CC..  trans-129.993.1179.6-171.9-31.8000109.9L117 T118 R122 L123 L124 G238L117-N120 CarbonylContact O-C 3.59Å; L117-N120 PolarHBondContact O-N 3.39Å; T118-N120 PolarHBondContact O-N 2.85Å; N120-R122 PolarHBondContact O-N 2.81Å; N120-R122 VanDerWaalsContact O-N 3.16Å; N120-R122 PolarHBondContact OD1-N 3.34Å; N120-L123 HydrophobicContact CB-CB 4.1Å; N120-L123 HydrophobicContact CB-CD1 3.96Å; N120-L123 HydrophobicContact CB-CG 4.28Å; N120-L123 WeakPolarHBondContact ND2-CD1 3.28Å; N120-L123 PolarHBondContact O-N 2.9Å; N120-L123 VanDerWaalsContact O-N 3.1Å; N120-L123 PolarHBondContact OD1-N 3.27Å; N120-L124 PolarHBondContact O-N 2.99Å; N120-G238 PolarHBondContact ND2-O 3.15Å
121E84.1Confident88.3Confident140 Ų14036.2 Ų36.265%0.65418%0.184SC*.Hα-helixtrans-54.6-35.6-177.9-68.7-178.1171.200113.2L124 H125E121-L124 PolarHBondContact O-N 3.2Å; E121-H125 WeakPolarHBondContact O-CB 3.35Å; E121-H125 PolarHBondContact O-CD2 3.44Å; E121-H125 PolarHBondContact O-N 2.95Å
122R84.2Confident88.6Confident171 Ų17136.9 Ų36.965%0.64519%0.187SC*.Hα-helixtrans-65-44.8179.4-64.3-177.7-178.9-178.7-0.2111.5N120 R126N120-R122 PolarHBondContact O-N 2.81Å; N120-R122 VanDerWaalsContact O-N 3.16Å; N120-R122 PolarHBondContact OD1-N 3.34Å; R122-R126 PolarHBondContact O-N 2.76Å
123L85.6Confident88.8Confident5 Ų538.2 Ų38.23%0.02620%0.196CC..Hα-helixtrans-67.5-40175.3-78.9178000112L117 N120 H125 R126 V127 T211 L240 L346 V350L117-L123 HydrophobicContact CD1-CB 3.54Å; N120-L123 HydrophobicContact CB-CB 4.1Å; N120-L123 HydrophobicContact CB-CD1 3.96Å; N120-L123 HydrophobicContact CB-CG 4.28Å; N120-L123 WeakPolarHBondContact ND2-CD1 3.28Å; N120-L123 PolarHBondContact O-N 2.9Å; N120-L123 VanDerWaalsContact O-N 3.1Å; N120-L123 PolarHBondContact OD1-N 3.27Å; L123-H125 PolarHBondContact O-N 2.83Å; L123-R126 VanDerWaalsContact O-CB 3.28Å; L123-R126 WeakPolarHBondContact O-CB 3.43Å; L123-R126 PolarHBondContact O-N 3.44Å; L123-R126 VanDerWaalsContact O-N 3.16Å; L123-V127 PolarHBondContact O-N 3.28Å; L123-T211 HydrophobicContact CD1-CG2 3.85Å; L123-T211 HydrophobicContact CD2-CG2 4.02Å; L123-L240 HydrophobicContact CD1-CD2 4.21Å; L123-L346 HydrophobicContact CD1-CD1 3.79Å; L123-L346 HydrophobicContact CD1-CD2 3.68Å; L123-L346 HydrophobicContact CD1-CG 4.39Å; L123-L346 HydrophobicContact CD2-CD2 4.39Å; L123-L346 HydrophobicContact CG-CD1 4.45Å; L123-V350 HydrophobicContact CD2-CG1 3.23Å; L123-V350 HydrophobicContact CG-CG1 4.17Å
124L89.8Confident89Confident3 Ų338.8 Ų38.82%0.01620%0.199CC..Hα-helixtrans-59.6-48.3177177.167.6000111A95 L117 N120 E121 R126 V127 V128 W180A95-L124 HydrophobicContact CB-CD2 3.52Å; L117-L124 HydrophobicContact CD2-CD1 3.96Å; L117-L124 HydrophobicContact CG-CB 4.24Å; L117-L124 HydrophobicContact CG-CD1 4.09Å; N120-L124 PolarHBondContact O-N 2.99Å; E121-L124 PolarHBondContact O-N 3.2Å; L124-R126 PolarHBondContact O-N 3.49Å; L124-V127 PolarHBondContact O-N 3.31Å; L124-V128 HydrophobicContact CD1-CG2 3.95Å; L124-V128 WeakPolarHBondContact O-CB 3.47Å; L124-V128 PolarHBondContact O-N 3.42Å; L124-W180 HydrophobicContact CD1-CH2 4.11Å; L124-W180 HydrophobicContact CD1-CZ3 3.94Å
125H89.5Confident89Confident60 Ų6043 Ų4328%0.27822%0.219SC..Hα-helixtrans-67.8-17.6178.5-69.3-45.1000114E121 L123 V128 H130E121-H125 WeakPolarHBondContact O-CB 3.35Å; E121-H125 PolarHBondContact O-CD2 3.44Å; E121-H125 PolarHBondContact O-N 2.95Å; L123-H125 PolarHBondContact O-N 2.83Å; H125-V128 WeakPolarHBondContact CA-O 3.4Å; H125-V128 CarbonylContact O-C 3.59Å; H125-H130 AromaticContact CD2-CE1 3.33Å; H125-H130 PolarHBondContact CD2-CE1 3.02Å; H125-H130 AromaticContact CD2-NE2 3.41Å; H125-H130 PolarHBondContact CD2-NE2 3.42Å; H125-H130 AromaticContact CE1-CE1 3.12Å; H125-H130 PolarHBondContact CE1-CE1 3.32Å; H125-H130 AromaticContact CE1-ND1 3.67Å; H125-H130 AromaticContact CE1-NE2 3.87Å; H125-H130 AromaticContact CG-CD2 3.99Å; H125-H130 AromaticContact CG-CE1 3.25Å; H125-H130 AromaticContact CG-NE2 3.16Å; H125-H130 AromaticContact ND1-CE1 3.1Å; H125-H130 PolarHBondContact ND1-CE1 3.41Å; H125-H130 AromaticContact ND1-ND1 3.56Å; H125-H130 AromaticContact ND1-NE2 3.48Å; H125-H130 PolarHBondContact ND1-NE2 2.74Å; H125-H130 AromaticContact NE2-CE1 3.25Å; H125-H130 PolarHBondContact NE2-CE1 2.97Å; H125-H130 AromaticContact NE2-NE2 3.84Å
126R89.1Confident89Confident39 Ų3948.8 Ų48.815%0.14725%0.25CC..Hα-helixtrans-70.9-43.1169.4177.162.2-169.9163.98.4111.5N24 R122 L123 L124 Q145 W152N24-R126 VanDerWaalsContact C-NH2 3.35Å; N24-R126 VanDerWaalsContact CG-CZ 3.5Å; N24-R126 PolarHBondContact O-NH1 2.94Å; N24-R126 PolarHBondContact O-NH2 3.36Å; N24-R126 PolarHBondContact OD1-NE 3.25Å; N24-R126 PolarHBondContact OD1-NH1 2.97Å; R122-R126 PolarHBondContact O-N 2.76Å; L123-R126 VanDerWaalsContact O-CB 3.28Å; L123-R126 WeakPolarHBondContact O-CB 3.43Å; L123-R126 PolarHBondContact O-N 3.44Å; L123-R126 VanDerWaalsContact O-N 3.16Å; L124-R126 PolarHBondContact O-N 3.49Å; R126-Q145 WeakPolarHBondContact O-CB 3.46Å; R126-W152 HydrophobicContact CG-CH2 3.47Å; R126-W152 VanDerWaalsContact CG-CH2 3.47Å; R126-W152 HydrophobicContact CG-CZ2 3.94Å; R126-W152 HydrophobicContact CG-CZ3 3.81Å; R126-W152 VanDerWaalsContact NH2-CD2 3.32Å
127V94.7Very high89Confident0 Ų054.5 Ų54.50%028%0.28CS..Hα-helixtrans-81.5-34.7179.9175.90000112.1L117 L123 L124 P129 F144 Q145 F146 L184 F210L117-V127 HydrophobicContact CD2-CB 3.98Å; L117-V127 HydrophobicContact CD2-CG1 4.21Å; L117-V127 HydrophobicContact CD2-CG2 3.96Å; L123-V127 PolarHBondContact O-N 3.28Å; L124-V127 PolarHBondContact O-N 3.31Å; V127-P129 WeakPolarHBondContact O-CD 3.35Å; V127-F144 WeakPolarHBondContact O-CA 3.32Å; V127-Q145 WeakPolarHBondContact CA-O 3.38Å; V127-Q145 PolarHBondContact O-N 3.05Å; V127-F146 HydrophobicContact CG1-CD1 4.37Å; V127-F146 HydrophobicContact CG1-CE1 4.15Å; V127-L184 HydrophobicContact CG1-CD1 3.57Å; V127-L184 HydrophobicContact CG1-CD2 4.49Å; V127-F210 HydrophobicContact CG1-CD1 4.06Å; V127-F210 HydrophobicContact CG1-CE1 4.47Å; V127-F210 HydrophobicContact CG2-CB 3.9Å; V127-F210 HydrophobicContact CG2-CD1 4.21Å; V127-F210 HydrophobicContact CG2-CG 4.36Å; V127-F210 VanDerWaalsContact CG2-O 3.24Å; V127-F210 WeakPolarHBondContact CG2-O 3.43Å
128V95Very high89.4Confident1 Ų157 Ų571%0.00629%0.29CS..SBendtrans-11887.1-177.3-173.30000108.7F90 I91 L124 H125 F144 W180 L184F90-V128 HydrophobicContact CE1-CG1 3.64Å; F90-V128 HydrophobicContact CZ-CG1 3.74Å; I91-V128 HydrophobicContact CD1-CG1 4.23Å; L124-V128 HydrophobicContact CD1-CG2 3.95Å; L124-V128 WeakPolarHBondContact O-CB 3.47Å; L124-V128 PolarHBondContact O-N 3.42Å; H125-V128 WeakPolarHBondContact CA-O 3.4Å; H125-V128 CarbonylContact O-C 3.59Å; V128-F144 HydrophobicContact CB-CD1 4.42Å; V128-F144 HydrophobicContact CB-CE1 4.43Å; V128-F144 HydrophobicContact CG1-CD1 4.39Å; V128-F144 HydrophobicContact CG1-CE1 3.97Å; V128-F144 HydrophobicContact CG2-CD1 4.01Å; V128-F144 HydrophobicContact CG2-CE1 4.05Å; V128-W180 HydrophobicContact CG2-CE3 4.06Å; V128-W180 HydrophobicContact CG2-CZ3 4.25Å; V128-L184 HydrophobicContact CG2-CD1 4.34Å; V128-L184 HydrophobicContact CG2-CD2 4.37Å
129P92.3Very high89.8Confident19 Ų1956.5 Ų56.512%0.12329%0.287CS..  trans-58145.5-177.2-27.236.3000113.3V127 Q132 H143 Q145V127-P129 WeakPolarHBondContact O-CD 3.35Å; P129-Q132 PolarHBondContact O-NE2 2.63Å; P129-H143 WeakPolarHBondContact CB-NE2 3.3Å; P129-Q145 HydrophobicContact CG-CG 4.32Å
130H87.9Confident90.6Very high138 Ų13853.1 Ų53.164%0.63927%0.269SS*.THydrogen-bonded Turntrans-67.2163.9174-64.8-77.5000112.6H125H125-H130 AromaticContact CD2-CE1 3.33Å; H125-H130 PolarHBondContact CD2-CE1 3.02Å; H125-H130 AromaticContact CD2-NE2 3.41Å; H125-H130 PolarHBondContact CD2-NE2 3.42Å; H125-H130 AromaticContact CE1-CE1 3.12Å; H125-H130 PolarHBondContact CE1-CE1 3.32Å; H125-H130 AromaticContact CE1-ND1 3.67Å; H125-H130 AromaticContact CE1-NE2 3.87Å; H125-H130 AromaticContact CG-CD2 3.99Å; H125-H130 AromaticContact CG-CE1 3.25Å; H125-H130 AromaticContact CG-NE2 3.16Å; H125-H130 AromaticContact ND1-CE1 3.1Å; H125-H130 PolarHBondContact ND1-CE1 3.41Å; H125-H130 AromaticContact ND1-ND1 3.56Å; H125-H130 AromaticContact ND1-NE2 3.48Å; H125-H130 PolarHBondContact ND1-NE2 2.74Å; H125-H130 AromaticContact NE2-CE1 3.25Å; H125-H130 PolarHBondContact NE2-CE1 2.97Å; H125-H130 AromaticContact NE2-NE2 3.84Å
131G88.3Confident91.3Very high69 Ų6952 Ų5271%0.71126%0.263SS*.THydrogen-bonded Turntrans87.74.8173.900000114.6
132Q93.8Very high92Very high15 Ų1545.5 Ų45.57%0.0723%0.233CC..  trans-89.1132.8174.7-59.4-173.985.200110.5F90 P129 F142 H143F90-Q132 HydrophobicContact CD1-CB 3.84Å; F90-Q132 HydrophobicContact CE1-CB 3.7Å; F90-Q132 HydrophobicContact CE1-CG 4.46Å; F90-Q132 HydrophobicContact CE2-CB 4.42Å; F90-Q132 HydrophobicContact CG-CB 4.27Å; F90-Q132 HydrophobicContact CZ-CB 4Å; P129-Q132 PolarHBondContact O-NE2 2.63Å; Q132-F142 HydrophobicContact CB-CD1 3.96Å; Q132-F142 HydrophobicContact CB-CE1 4.14Å; Q132-F142 HydrophobicContact CG-CD1 4.42Å; Q132-H143 PolarHBondContact NE2-O 2.92Å; Q132-H143 PolarHBondContact OE1-O 3.02Å
133S94.1Very high92.6Very high27 Ų2738.4 Ų38.419%0.18921%0.207CC..  trans-155.4155.5-175.8177.50000111Q135 D136S133-Q135 PolarHBondContact OG-N 2.98Å; S133-Q135 PolarHBondContact OG-OE1 3.47Å; S133-D136 PolarHBondContact OG-N 2.9Å
134F95.3Very high93.2Very high13 Ų1338.1 Ų38.16%0.05721%0.206CC..SBendtrans-90.1-8.8168.6-68.8-80.4000112.9P81 P88 Q89 F90 Y138 F142 D159 F179 L183P81-F134 HydrophobicContact CB-CD1 4.44Å; P81-F134 HydrophobicContact CB-CE1 3.75Å; P81-F134 HydrophobicContact CB-CZ 3.87Å; P81-F134 HydrophobicContact CG-CE1 3.7Å; P81-F134 HydrophobicContact CG-CZ 3.69Å; P88-F134 HydrophobicContact CB-CB 4.38Å; P88-F134 HydrophobicContact CB-CD1 4.29Å; P88-F134 HydrophobicContact CB-CD2 4.11Å; P88-F134 HydrophobicContact CB-CE2 4.48Å; P88-F134 HydrophobicContact CB-CG 4.01Å; P88-F134 HydrophobicContact CG-CB 4.01Å; P88-F134 HydrophobicContact CG-CD1 4.35Å; P88-F134 HydrophobicContact CG-CG 4.11Å; P88-F134 WeakPolarHBondContact O-CB 3.32Å; Q89-F134 VanDerWaalsContact C-CD2 3.48Å; Q89-F134 WeakPolarHBondContact O-CE2 3.29Å; F90-F134 HydrophobicContact CB-CD2 4.21Å; F90-F134 HydrophobicContact CB-CE2 4.13Å; F90-F134 HydrophobicContact CD2-CE2 4.37Å; F134-Y138 HydrophobicContact CD1-CD2 4.03Å; F134-Y138 AromaticContact CD1-CE2 3.6Å; F134-Y138 HydrophobicContact CD1-CE2 3.6Å; F134-Y138 HydrophobicContact CE1-CE2 4.13Å; F134-Y138 WeakPolarHBondContact O-CB 3.28Å; F134-F142 HydrophobicContact CD1-CE2 4.31Å; F134-F142 AromaticContact CD1-CZ 3.84Å; F134-F142 HydrophobicContact CD1-CZ 3.84Å; F134-F142 HydrophobicContact CD2-CZ 4.37Å; F134-F142 AromaticContact CE1-CE2 3.7Å; F134-F142 HydrophobicContact CE1-CE2 3.7Å; F134-F142 AromaticContact CE1-CZ 3.49Å; F134-F142 HydrophobicContact CE1-CZ 3.49Å; F134-F142 VanDerWaalsContact CE1-CZ 3.49Å; F134-F142 HydrophobicContact CE2-CZ 4.08Å; F134-F142 HydrophobicContact CG-CZ 4.26Å; F134-F142 HydrophobicContact CZ-CE1 4.39Å; F134-F142 HydrophobicContact CZ-CE2 4.03Å; F134-F142 AromaticContact CZ-CZ 3.62Å; F134-F142 HydrophobicContact CZ-CZ 3.62Å; F134-D159 HydrophobicContact CE1-CB 4.42Å; F134-F179 HydrophobicContact CE2-CB 4.12Å; F134-F179 HydrophobicContact CE2-CD2 4.35Å; F134-F179 HydrophobicContact CZ-CB 4.04Å; F134-L183 HydrophobicContact CZ-CD1 4Å
135Q91.1Very high93.5Very high90 Ų9039.4 Ų39.442%0.42121%0.211SC..SBendtrans-100.5-52.3-176-67.771.72900111.2P88 Q89 S133P88-Q135 PolarHBondContact O-NE2 3.11Å; Q89-Q135 VanDerWaalsContact NE2-NE2 3.19Å; S133-Q135 PolarHBondContact OG-N 2.98Å; S133-Q135 PolarHBondContact OG-OE1 3.47Å
136D86.8Confident93.8Very high121 Ų12136.5 Ų36.565%0.64720%0.198SC*.SBendtrans-93.8125.3-172.9-62.1-42.5000111.4S133 Y138S133-D136 PolarHBondContact OG-N 2.9Å; D136-Y138 PolarHBondContact O-N 3.33Å; D136-Y138 VanDerWaalsContact O-N 3.1Å
137D86.7Confident94Very high120 Ų12034.9 Ų34.964%0.64219%0.192SC*.SBendtrans47.638.4179.6-65.1-30.1000113.8K39 A139K39-D137 WeakPolarHBondContact CE-O 3.37Å; D137-A139 PolarHBondContact O-N 3.07Å
138Y95.9Very high93.9Very high54 Ų5435.5 Ų35.521%0.21220%0.195CC..  trans-68.8124.1-178.4173.3-104.5000111.8L48 T82 F134 D136 G140 F142 D159L48-Y138 HydrophobicContact CD1-CE1 4.46Å; L48-Y138 HydrophobicContact CD2-CD1 4.06Å; L48-Y138 HydrophobicContact CD2-CE1 3.54Å; T82-Y138 HydrophobicContact CG2-CE1 4.16Å; F134-Y138 HydrophobicContact CD1-CD2 4.03Å; F134-Y138 AromaticContact CD1-CE2 3.6Å; F134-Y138 HydrophobicContact CD1-CE2 3.6Å; F134-Y138 HydrophobicContact CE1-CE2 4.13Å; F134-Y138 WeakPolarHBondContact O-CB 3.28Å; D136-Y138 PolarHBondContact O-N 3.33Å; D136-Y138 VanDerWaalsContact O-N 3.1Å; Y138-G140 VanDerWaalsContact CE2-CA 3.45Å; Y138-F142 HydrophobicContact CE2-CE2 4.25Å; Y138-F142 HydrophobicContact CE2-CZ 4.48Å; Y138-D159 VanDerWaalsContact CE2-OD2 3.23Å; Y138-D159 WeakPolarHBondContact CE2-OD2 3.49Å; Y138-D159 VanDerWaalsContact CZ-OD2 3.29Å; Y138-D159 PolarHBondContact OH-OD2 3.34Å
139A97Very high93.6Very high3 Ų336.1 Ų36.13%0.02520%0.197CC..  trans-130.119.5174.900000112.6K39 C42 V43 L48 F49 D137 I141K39-A139 HydrophobicContact CG-CB 4.41Å; C42-A139 HydrophobicContact CB-CB 3.77Å; V43-A139 HydrophobicContact CG2-CB 3.97Å; L48-A139 WeakPolarHBondContact CA-O 3.45Å; F49-A139 PolarHBondContact N-O 2.98Å; D137-A139 PolarHBondContact O-N 3.07Å; A139-I141 VanDerWaalsContact C-N 3.28Å; A139-I141 HydrophobicContact CB-CG2 4.01Å; A139-I141 PolarHBondContact O-N 3.48Å
140G97.7Very high93.4Very high0 Ų035.7 Ų35.70%020%0.196CC..SBendtrans64.529.3-179.800000114.2R80 Y138 D158 D159R80-G140 PolarHBondContact NH1-O 3.38Å; Y138-G140 VanDerWaalsContact CE2-CA 3.45Å; G140-D158 VanDerWaalsContact O-CA 3.23Å; G140-D158 WeakPolarHBondContact O-CA 3.35Å; G140-D158 WeakPolarHBondContact O-CB 3.33Å; G140-D159 PolarHBondContact O-N 2.84Å
141I98.3Very high93.4Very high5 Ų530.7 Ų30.73%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-132.4135.6-174.5-170.3173.9000110.6Y35 L38 K39 F49 A139 V156 I157Y35-I141 HydrophobicContact CD2-CD1 4.27Å; Y35-I141 HydrophobicContact CD2-CG1 4.06Å; Y35-I141 HydrophobicContact CE2-CG1 4.12Å; Y35-I141 HydrophobicContact CE2-CG2 4.08Å; L38-I141 HydrophobicContact CB-CD1 3.62Å; K39-I141 HydrophobicContact CB-CG2 3.85Å; K39-I141 HydrophobicContact CG-CG2 3.89Å; F49-I141 HydrophobicContact CB-CB 3.74Å; F49-I141 HydrophobicContact CB-CD1 4.28Å; F49-I141 HydrophobicContact CB-CG1 4.24Å; F49-I141 HydrophobicContact CD1-CB 3.96Å; F49-I141 HydrophobicContact CD1-CD1 3.81Å; F49-I141 HydrophobicContact CD1-CG1 3.61Å; F49-I141 HydrophobicContact CD2-CD1 4.16Å; F49-I141 HydrophobicContact CE1-CD1 4.14Å; F49-I141 HydrophobicContact CE1-CG1 4.14Å; F49-I141 HydrophobicContact CE2-CD1 4.47Å; F49-I141 HydrophobicContact CG-CB 4.05Å; F49-I141 HydrophobicContact CG-CD1 3.82Å; F49-I141 HydrophobicContact CG-CG1 3.98Å; F49-I141 HydrophobicContact CZ-CD1 4.46Å; A139-I141 VanDerWaalsContact C-N 3.28Å; A139-I141 HydrophobicContact CB-CG2 4.01Å; A139-I141 PolarHBondContact O-N 3.48Å; I141-V156 HydrophobicContact CD1-CG1 3.63Å; I141-V156 HydrophobicContact CG1-CG1 3.63Å; I141-I157 WeakPolarHBondContact CA-O 3.4Å
142F98.4Very high93.6Very high2 Ų228.2 Ų28.21%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-139163-179.6-67.3-92.4000109.8F90 Q132 F134 Y138 F144 V156 I157 D159 L183F90-F142 AromaticContact CD2-CD1 3.7Å; F90-F142 HydrophobicContact CD2-CD1 3.7Å; F90-F142 AromaticContact CD2-CE1 3.45Å; F90-F142 HydrophobicContact CD2-CE1 3.45Å; F90-F142 VanDerWaalsContact CD2-CE1 3.45Å; F90-F142 HydrophobicContact CD2-CZ 4.38Å; F90-F142 AromaticContact CE2-CD1 3.49Å; F90-F142 HydrophobicContact CE2-CD1 3.49Å; F90-F142 VanDerWaalsContact CE2-CD1 3.49Å; F90-F142 AromaticContact CE2-CE1 3.78Å; F90-F142 HydrophobicContact CE2-CE1 3.78Å; F90-F142 HydrophobicContact CE2-CG 4.4Å; F90-F142 HydrophobicContact CG-CE1 4.15Å; F90-F142 HydrophobicContact CZ-CD1 4.24Å; Q132-F142 HydrophobicContact CB-CD1 3.96Å; Q132-F142 HydrophobicContact CB-CE1 4.14Å; Q132-F142 HydrophobicContact CG-CD1 4.42Å; F134-F142 HydrophobicContact CD1-CE2 4.31Å; F134-F142 AromaticContact CD1-CZ 3.84Å; F134-F142 HydrophobicContact CD1-CZ 3.84Å; F134-F142 HydrophobicContact CD2-CZ 4.37Å; F134-F142 AromaticContact CE1-CE2 3.7Å; F134-F142 HydrophobicContact CE1-CE2 3.7Å; F134-F142 AromaticContact CE1-CZ 3.49Å; F134-F142 HydrophobicContact CE1-CZ 3.49Å; F134-F142 VanDerWaalsContact CE1-CZ 3.49Å; F134-F142 HydrophobicContact CE2-CZ 4.08Å; F134-F142 HydrophobicContact CG-CZ 4.26Å; F134-F142 HydrophobicContact CZ-CE1 4.39Å; F134-F142 HydrophobicContact CZ-CE2 4.03Å; F134-F142 AromaticContact CZ-CZ 3.62Å; F134-F142 HydrophobicContact CZ-CZ 3.62Å; Y138-F142 HydrophobicContact CE2-CE2 4.25Å; Y138-F142 HydrophobicContact CE2-CZ 4.48Å; F142-F144 HydrophobicContact CB-CE2 4.21Å; F142-V156 CarbonylContact O-C 3.44Å; F142-V156 WeakPolarHBondContact O-CA 3.31Å; F142-I157 HydrophobicContact CB-CG1 4.3Å; F142-I157 PolarHBondContact N-O 2.89Å; F142-I157 PolarHBondContact O-N 3.39Å; F142-D159 HydrophobicContact CD2-CB 3.84Å; F142-D159 HydrophobicContact CE2-CB 3.68Å; F142-L183 HydrophobicContact CB-CD1 4.5Å; F142-L183 HydrophobicContact CD1-CD1 4.07Å; F142-L183 HydrophobicContact CD2-CD1 3.81Å; F142-L183 HydrophobicContact CE1-CD1 4.26Å; F142-L183 HydrophobicContact CE2-CD1 4.02Å; F142-L183 HydrophobicContact CG-CD1 3.86Å; F142-L183 HydrophobicContact CZ-CD1 4.24Å
143H97.9Very high93.7Very high22 Ų2228.2 Ų28.210%0.10214%0.144CC..EExtended strand (participates in β ladder)trans-144.5154.4175.279.6140.7000113Y35 P129 Q132 D154 V155 V156Y35-H143 AromaticContact CD1-CD2 3.94Å; Y35-H143 AromaticContact CD1-NE2 3.97Å; Y35-H143 HydrophobicContact CD2-CB 3.77Å; Y35-H143 AromaticContact CD2-CG 3.89Å; Y35-H143 HydrophobicContact CE2-CB 4.46Å; Y35-H143 HydrophobicContact CG-CB 3.96Å; Y35-H143 AromaticContact CG-CD2 3.92Å; Y35-H143 AromaticContact CG-CG 3.69Å; Y35-H143 AromaticContact CG-ND1 3.98Å; P129-H143 WeakPolarHBondContact CB-NE2 3.3Å; Q132-H143 PolarHBondContact NE2-O 2.92Å; Q132-H143 PolarHBondContact OE1-O 3.02Å; H143-D154 IonicContact CE1-OD1 2.74Å; H143-D154 IonicContact CG-OD1 3.29Å; H143-D154 IonicContact CG-OD2 3.5Å; H143-D154 IonicContact ND1-OD1 3.65Å; H143-D154 PolarHBondContact ND1-OD1 3.41Å; H143-D154 IonicContact ND1-OD2 3.35Å; H143-D154 PolarHBondContact ND1-OD2 3.24Å; H143-D154 VanDerWaalsContact ND1-OD2 3.12Å; H143-V155 VanDerWaalsContact CA-O 3.29Å; H143-V155 WeakPolarHBondContact CA-O 3.48Å; H143-V156 HydrophobicContact CB-CG2 4.3Å
144F97.7Very high93.8Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-142.2152.8-177.6-61.2-87.4000110F90 V127 V128 F142 F146 V155 I157 L183 L184 A187F90-F144 HydrophobicContact CE2-CZ 4.09Å; F90-F144 HydrophobicContact CZ-CE1 4.1Å; F90-F144 HydrophobicContact CZ-CZ 4.01Å; V127-F144 WeakPolarHBondContact O-CA 3.32Å; V128-F144 HydrophobicContact CB-CD1 4.42Å; V128-F144 HydrophobicContact CB-CE1 4.43Å; V128-F144 HydrophobicContact CG1-CD1 4.39Å; V128-F144 HydrophobicContact CG1-CE1 3.97Å; V128-F144 HydrophobicContact CG2-CD1 4.01Å; V128-F144 HydrophobicContact CG2-CE1 4.05Å; F142-F144 HydrophobicContact CB-CE2 4.21Å; F144-F146 HydrophobicContact CB-CE2 3.77Å; F144-F146 HydrophobicContact CB-CZ 3.81Å; F144-V155 PolarHBondContact N-O 3.1Å; F144-V155 PolarHBondContact O-N 3.07Å; F144-I157 HydrophobicContact CD2-CD1 4.41Å; F144-I157 HydrophobicContact CD2-CG1 4.47Å; F144-I157 HydrophobicContact CE2-CD1 3.94Å; F144-I157 HydrophobicContact CE2-CG1 4.25Å; F144-L183 HydrophobicContact CE2-CB 3.81Å; F144-L183 HydrophobicContact CZ-CB 3.62Å; F144-L184 HydrophobicContact CB-CD1 4.09Å; F144-L184 HydrophobicContact CD1-CB 4.12Å; F144-L184 HydrophobicContact CD1-CD1 3.38Å; F144-L184 HydrophobicContact CD1-CG 4.36Å; F144-L184 HydrophobicContact CE1-CB 3.82Å; F144-L184 HydrophobicContact CE1-CD1 3.97Å; F144-L184 HydrophobicContact CG-CD1 3.85Å; F144-L184 HydrophobicContact CZ-CB 4.26Å; F144-A187 HydrophobicContact CB-CB 4.09Å; F144-A187 HydrophobicContact CD2-CB 3.46Å; F144-A187 VanDerWaalsContact CD2-CB 3.46Å; F144-A187 HydrophobicContact CE2-CB 4.24Å; F144-A187 HydrophobicContact CG-CB 4.04Å
145Q96.3Very high94Very high29 Ų2926.8 Ų26.814%0.13613%0.134CC..EExtended strand (participates in β ladder)trans-115.1127.3179.9-61.2-172.3-1100111R126 V127 P129 W152 V153 D154R126-Q145 WeakPolarHBondContact O-CB 3.46Å; V127-Q145 WeakPolarHBondContact CA-O 3.38Å; V127-Q145 PolarHBondContact O-N 3.05Å; P129-Q145 HydrophobicContact CG-CG 4.32Å; Q145-W152 HydrophobicContact CB-CE3 4.13Å; Q145-W152 HydrophobicContact CB-CZ3 4.43Å; Q145-V153 WeakPolarHBondContact CA-O 3.31Å; Q145-D154 HydrophobicContact CG-CB 4.42Å; Q145-D154 VanDerWaalsContact CG-OD1 3.24Å; Q145-D154 WeakPolarHBondContact CG-OD1 3.43Å; Q145-D154 PolarHBondContact NE2-OD1 2.91Å
146F95.9Very high94.3Very high0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-123.1136.9177.3-54.5-77.1000109.6V127 F144 Q148 V153 V155 L184 A187 Y188 L191 D209 F210V127-F146 HydrophobicContact CG1-CD1 4.37Å; V127-F146 HydrophobicContact CG1-CE1 4.15Å; F144-F146 HydrophobicContact CB-CE2 3.77Å; F144-F146 HydrophobicContact CB-CZ 3.81Å; F146-Q148 HydrophobicContact CB-CG 4.49Å; F146-V153 PolarHBondContact N-O 3.4Å; F146-V153 PolarHBondContact O-N 2.9Å; F146-V155 HydrophobicContact CD2-CB 4.26Å; F146-V155 HydrophobicContact CD2-CG2 3.76Å; F146-V155 HydrophobicContact CE2-CB 4.13Å; F146-V155 HydrophobicContact CE2-CG2 4.09Å; F146-L184 HydrophobicContact CE1-CD1 3.57Å; F146-L184 HydrophobicContact CE1-CG 4.48Å; F146-L184 HydrophobicContact CZ-CD1 3.61Å; F146-A187 HydrophobicContact CE2-CB 3.79Å; F146-A187 HydrophobicContact CZ-CB 3.96Å; F146-Y188 AromaticContact CD1-CD2 3.68Å; F146-Y188 HydrophobicContact CD1-CD2 3.68Å; F146-Y188 HydrophobicContact CD1-CE2 4.26Å; F146-Y188 AromaticContact CE1-CD2 3.67Å; F146-Y188 HydrophobicContact CE1-CD2 3.67Å; F146-Y188 HydrophobicContact CE1-CG 4.34Å; F146-Y188 HydrophobicContact CG-CD2 4.14Å; F146-Y188 HydrophobicContact CZ-CD2 4.11Å; F146-L191 HydrophobicContact CB-CD2 3.79Å; F146-L191 HydrophobicContact CD2-CD2 3.78Å; F146-L191 HydrophobicContact CG-CD2 3.92Å; F146-D209 CarbonylContact C-O 3.52Å; F146-D209 WeakPolarHBondContact CA-O 3.22Å; F146-F210 HydrophobicContact CD1-CD1 4.04Å; F146-F210 AromaticContact CD1-CE1 3.89Å; F146-F210 HydrophobicContact CD1-CE1 3.89Å; F146-F210 HydrophobicContact CE1-CD1 4.29Å; F146-F210 AromaticContact CE1-CE1 3.78Å; F146-F210 HydrophobicContact CE1-CE1 3.78Å
147W93.8Very high94.9Very high4 Ų416.7 Ų16.72%0.0158%0.084CC..EExtended strand (participates in β ladder)trans-72.3129.7164.5-173.392.6000109G150 E151 W152 E208 D209 G212 M415W147-G150 VanDerWaalsContact CE2-N 3.26Å; W147-G150 VanDerWaalsContact CH2-N 3.3Å; W147-E151 CarbonylContact C-O 3.38Å; W147-W152 HydrophobicContact CB-CD2 4.23Å; W147-W152 HydrophobicContact CB-CE3 4.25Å; W147-W152 HydrophobicContact CB-CH2 4.31Å; W147-W152 HydrophobicContact CB-CZ2 4.3Å; W147-W152 HydrophobicContact CB-CZ3 4.29Å; W147-W152 AromaticContact CD1-NE1 3.96Å; W147-E208 HydrophobicContact CZ3-CB 4.48Å; W147-D209 PolarHBondContact N-O 3.49Å; W147-D209 VanDerWaalsContact O-CA 3.3Å; W147-D209 WeakPolarHBondContact O-CA 3.41Å; W147-G212 VanDerWaalsContact CD1-CA 3.42Å; W147-M415 HydrophobicContact CH2-CE 3.89Å; W147-M415 HydrophobicContact CH2-SD 4.12Å; W147-M415 HydrophobicContact CZ3-CE 3.67Å; W147-M415 HydrophobicContact CZ3-SD 3.8Å
148Q92Very high95.4Very high13 Ų1311 Ų116%0.0615%0.053CC..EExtended strand (participates in β ladder)trans-134.6104.5-179.8-69.9-65.6-73.200108.9F146 G150 E151 V153 L191 D209F146-Q148 HydrophobicContact CB-CG 4.49Å; Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.11Å; Q148-G150 VanDerWaalsContact O-N 3.15Å; Q148-E151 PolarHBondContact N-O 2.65Å; Q148-E151 PolarHBondContact O-N 3.3Å; Q148-E151 VanDerWaalsContact O-N 3.14Å; Q148-V153 HydrophobicContact CB-CG2 3.87Å; Q148-V153 HydrophobicContact CG-CB 4.39Å; Q148-V153 HydrophobicContact CG-CG2 4.04Å; Q148-L191 VanDerWaalsContact CD-CD2 3.45Å; Q148-L191 HydrophobicContact CG-CD1 4.23Å; Q148-L191 HydrophobicContact CG-CD2 3.74Å; Q148-L191 HydrophobicContact CG-CG 4.36Å; Q148-D209 PolarHBondContact NE2-OD2 3.16Å
149F89.4Confident95.5Very high14 Ų148.4 Ų8.46%0.0614%0.043CC..THydrogen-bonded Turntrans51.145.1168.9-45.4-70.8000113.1Y365 M415 Q416 K417 D418 V501F149-Y365 WeakPolarHBondContact O-CE1 3.35Å; F149-M415 HydrophobicContact CD1-CG 4.05Å; F149-M415 HydrophobicContact CD1-SD 3.5Å; F149-M415 VanDerWaalsContact CD1-SD 3.5Å; F149-M415 HydrophobicContact CE1-CG 4.32Å; F149-M415 HydrophobicContact CE1-SD 3.96Å; F149-Q416 WeakPolarHBondContact CE1-O 3.42Å; F149-K417 HydrophobicContact CB-CD 3.91Å; F149-K417 VanDerWaalsContact CB-CE 3.45Å; F149-K417 HydrophobicContact CB-CG 3.9Å; F149-K417 HydrophobicContact CD1-CB 4.07Å; F149-K417 HydrophobicContact CD1-CG 3.73Å; F149-K417 HydrophobicContact CD2-CB 4.34Å; F149-K417 HydrophobicContact CD2-CG 4.34Å; F149-K417 HydrophobicContact CE1-CB 4.26Å; F149-K417 HydrophobicContact CE1-CG 4.38Å; F149-K417 HydrophobicContact CE2-CB 4.49Å; F149-K417 HydrophobicContact CG-CB 4.14Å; F149-K417 HydrophobicContact CG-CD 4.18Å; F149-K417 HydrophobicContact CG-CG 3.72Å; F149-K417 HydrophobicContact CZ-CB 4.46Å; F149-D418 VanDerWaalsContact CZ-N 3.25Å; F149-V501 HydrophobicContact CB-CG2 3.86Å; F149-V501 WeakPolarHBondContact O-CG2 3.26Å
150G86.3Confident95.6Very high10 Ų109.8 Ų9.810%0.1035%0.047CC..THydrogen-bonded Turntrans104.2-1317700000115.5W147 Q148W147-G150 VanDerWaalsContact CE2-N 3.26Å; W147-G150 VanDerWaalsContact CH2-N 3.3Å; Q148-G150 VanDerWaalsContact C-N 3.27Å; Q148-G150 PolarHBondContact O-N 3.11Å; Q148-G150 VanDerWaalsContact O-N 3.15Å
151E88.9Confident95.6Very high34 Ų3410 Ų1016%0.1595%0.048CC..EExtended strand (participates in β ladder)trans-126.4140.8-174.3-61.3175.6127.800111.1R17 G22 W147 Q148R17-E151 IonicContact CZ-OE1 3.5Å; R17-E151 IonicContact NE-OE1 3.74Å; R17-E151 PolarHBondContact NE-OE1 3.05Å; R17-E151 IonicContact NH2-OE1 2.8Å; R17-E151 PolarHBondContact NH2-OE1 3.09Å; R17-E151 IonicContact NH2-OE2 3.36Å; R17-E151 PolarHBondContact NH2-OE2 3.06Å; R17-E151 VanDerWaalsContact NH2-OE2 3.17Å; G22-E151 CarbonylContact O-C 3.57Å; G22-E151 WeakPolarHBondContact O-CA 3.39Å; W147-E151 CarbonylContact C-O 3.38Å; Q148-E151 PolarHBondContact N-O 2.65Å; Q148-E151 PolarHBondContact O-N 3.3Å; Q148-E151 VanDerWaalsContact O-N 3.14Å
152W92.9Very high95.6Very high16 Ų169.9 Ų9.96%0.0615%0.048CC..EExtended strand (participates in β ladder)trans-77.5136.9166.6-72.994.9000110.7G22 A27 V28 R126 Q145 W147G22-W152 PolarHBondContact O-N 3.27Å; A27-W152 CarbonylContact C-O 3.57Å; A27-W152 WeakPolarHBondContact CA-O 3.35Å; A27-W152 HydrophobicContact CB-CB 4.12Å; V28-W152 PolarHBondContact N-O 2.91Å; R126-W152 HydrophobicContact CG-CH2 3.47Å; R126-W152 VanDerWaalsContact CG-CH2 3.47Å; R126-W152 HydrophobicContact CG-CZ2 3.94Å; R126-W152 HydrophobicContact CG-CZ3 3.81Å; R126-W152 VanDerWaalsContact NH2-CD2 3.32Å; Q145-W152 HydrophobicContact CB-CE3 4.13Å; Q145-W152 HydrophobicContact CB-CZ3 4.43Å; W147-W152 HydrophobicContact CB-CD2 4.23Å; W147-W152 HydrophobicContact CB-CE3 4.25Å; W147-W152 HydrophobicContact CB-CH2 4.31Å; W147-W152 HydrophobicContact CB-CZ2 4.3Å; W147-W152 HydrophobicContact CB-CZ3 4.29Å; W147-W152 AromaticContact CD1-NE1 3.96Å
153V95.1Very high95.4Very high15 Ų1510 Ų109%0.0915%0.049CC..EExtended strand (participates in β ladder)trans-128.1124.7-176.8-179.10000109V28 F30 Q145 F146 Q148 V155 L191V28-V153 HydrophobicContact CB-CG2 4.39Å; V28-V153 CarbonylContact O-C 3.59Å; V28-V153 VanDerWaalsContact O-CA 3.31Å; V28-V153 WeakPolarHBondContact O-CA 3.42Å; V28-V153 WeakPolarHBondContact O-CG1 3.34Å; F30-V153 HydrophobicContact CB-CG1 3.77Å; F30-V153 HydrophobicContact CD2-CG1 4.16Å; F30-V153 HydrophobicContact CG-CG1 4.41Å; Q145-V153 WeakPolarHBondContact CA-O 3.31Å; F146-V153 PolarHBondContact N-O 3.4Å; F146-V153 PolarHBondContact O-N 2.9Å; Q148-V153 HydrophobicContact CB-CG2 3.87Å; Q148-V153 HydrophobicContact CG-CB 4.39Å; Q148-V153 HydrophobicContact CG-CG2 4.04Å; V153-V155 HydrophobicContact CG1-CG2 4.16Å; V153-L191 HydrophobicContact CG1-CD1 4.39Å
154D96.9Very high95.2Very high10 Ų1011.7 Ų11.75%0.0536%0.056CC..EExtended strand (participates in β ladder)trans-88.5124174.7-163.485.3000109.6A27 V28 F30 H143 Q145A27-D154 HydrophobicContact CB-CB 4.05Å; V28-D154 PolarHBondContact O-N 2.99Å; F30-D154 WeakPolarHBondContact CB-O 3.43Å; F30-D154 PolarHBondContact N-O 2.81Å; H143-D154 IonicContact CE1-OD1 2.74Å; H143-D154 IonicContact CG-OD1 3.29Å; H143-D154 IonicContact CG-OD2 3.5Å; H143-D154 IonicContact ND1-OD1 3.65Å; H143-D154 PolarHBondContact ND1-OD1 3.41Å; H143-D154 IonicContact ND1-OD2 3.35Å; H143-D154 PolarHBondContact ND1-OD2 3.24Å; H143-D154 VanDerWaalsContact ND1-OD2 3.12Å; Q145-D154 HydrophobicContact CG-CB 4.42Å; Q145-D154 VanDerWaalsContact CG-OD1 3.24Å; Q145-D154 WeakPolarHBondContact CG-OD1 3.43Å; Q145-D154 PolarHBondContact NE2-OD1 2.91Å
155V98.1Very high94.8Very high0 Ų018.8 Ų18.80%09%0.094CC..EExtended strand (participates in β ladder)trans-118.7107.9-175-176.40000109.3F30 H143 F144 F146 V153 I157 A187 K190 L191F30-V155 HydrophobicContact CB-CB 4.46Å; F30-V155 HydrophobicContact CB-CG2 3.92Å; F30-V155 HydrophobicContact CD1-CG1 4.33Å; F30-V155 HydrophobicContact CG-CG2 4.21Å; H143-V155 VanDerWaalsContact CA-O 3.29Å; H143-V155 WeakPolarHBondContact CA-O 3.48Å; F144-V155 PolarHBondContact N-O 3.1Å; F144-V155 PolarHBondContact O-N 3.07Å; F146-V155 HydrophobicContact CD2-CB 4.26Å; F146-V155 HydrophobicContact CD2-CG2 3.76Å; F146-V155 HydrophobicContact CE2-CB 4.13Å; F146-V155 HydrophobicContact CE2-CG2 4.09Å; V153-V155 HydrophobicContact CG1-CG2 4.16Å; V155-I157 HydrophobicContact CG1-CG2 4.43Å; V155-A187 HydrophobicContact CB-CB 4.48Å; V155-A187 HydrophobicContact CG1-CB 4.12Å; V155-K190 HydrophobicContact CG1-CD 3.98Å; V155-K190 HydrophobicContact CG1-CG 4.32Å; V155-L191 HydrophobicContact CG2-CB 4.48Å; V155-L191 HydrophobicContact CG2-CD1 4.06Å
156V98.4Very high94.4Very high0 Ų020.1 Ų20.10%012%0.116CC..EExtended strand (participates in β ladder)trans-81.1140.3173.5-176.10000110Q33 L38 F49 I141 F142 H143 K190Q33-V156 HydrophobicContact CB-CB 4.24Å; Q33-V156 HydrophobicContact CB-CG2 4.16Å; L38-V156 HydrophobicContact CD1-CG1 4.31Å; F49-V156 HydrophobicContact CE1-CG1 4.01Å; F49-V156 HydrophobicContact CZ-CG1 4.37Å; I141-V156 HydrophobicContact CD1-CG1 3.63Å; I141-V156 HydrophobicContact CG1-CG1 3.63Å; F142-V156 CarbonylContact O-C 3.44Å; F142-V156 WeakPolarHBondContact O-CA 3.31Å; H143-V156 HydrophobicContact CB-CG2 4.3Å; V156-K190 PolarHBondContact O-NZ 2.79Å
157I98.7Very high94.2Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-139.7157.5171.855.7162000110.9I141 F142 F144 V155 L183 K186 A187 K190I141-I157 WeakPolarHBondContact CA-O 3.4Å; F142-I157 HydrophobicContact CB-CG1 4.3Å; F142-I157 PolarHBondContact N-O 2.89Å; F142-I157 PolarHBondContact O-N 3.39Å; F144-I157 HydrophobicContact CD2-CD1 4.41Å; F144-I157 HydrophobicContact CD2-CG1 4.47Å; F144-I157 HydrophobicContact CE2-CD1 3.94Å; F144-I157 HydrophobicContact CE2-CG1 4.25Å; V155-I157 HydrophobicContact CG1-CG2 4.43Å; I157-L183 HydrophobicContact CD1-CB 4.05Å; I157-L183 HydrophobicContact CD1-CD2 4.01Å; I157-L183 WeakPolarHBondContact CD1-O 3.34Å; I157-K186 HydrophobicContact CD1-CB 3.98Å; I157-K186 HydrophobicContact CD1-CD 4.03Å; I157-K186 HydrophobicContact CD1-CG 4.09Å; I157-A187 HydrophobicContact CD1-CB 4.13Å; I157-A187 HydrophobicContact CG1-CB 4.4Å; I157-A187 HydrophobicContact CG2-CB 3.96Å; I157-K190 HydrophobicContact CG2-CB 4.42Å; I157-K190 HydrophobicContact CG2-CD 3.75Å
158D98.5Very high94.2Very high0 Ų028.8 Ų28.80%016%0.157CC..EExtended strand (participates in β ladder)trans-80.5169.1157.469.358000111.5F49 D51 G140 R160 K186F49-D158 HydrophobicContact CD1-CB 3.76Å; F49-D158 HydrophobicContact CE1-CB 4.43Å; F49-D158 VanDerWaalsContact O-CB 3.29Å; F49-D158 WeakPolarHBondContact O-CB 3.25Å; D51-D158 HydrophobicContact CB-CB 4.39Å; D51-D158 VanDerWaalsContact CB-OD2 3.28Å; D51-D158 WeakPolarHBondContact CB-OD2 3.41Å; D51-D158 PolarHBondContact N-OD2 2.8Å; G140-D158 VanDerWaalsContact O-CA 3.23Å; G140-D158 WeakPolarHBondContact O-CA 3.35Å; G140-D158 WeakPolarHBondContact O-CB 3.33Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 WeakPolarHBondContact OD1-CG 3.26Å; D158-R160 PolarHBondContact OD1-N 2.8Å; D158-R160 IonicContact OD1-NE 3.9Å; D158-R160 PolarHBondContact OD1-NE 3Å; D158-R160 IonicContact OD2-CZ 2.92Å; D158-R160 VanDerWaalsContact OD2-CZ 3.29Å; D158-R160 IonicContact OD2-NE 2.85Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 VanDerWaalsContact OD2-NE 3.13Å; D158-R160 IonicContact OD2-NH2 3.42Å; D158-R160 PolarHBondContact OD2-NH2 3.17Å; D158-K186 WeakPolarHBondContact O-CE 3.11Å; D158-K186 PolarHBondContact O-NZ 3.13Å; D158-K186 IonicContact OD1-NZ 2.87Å; D158-K186 PolarHBondContact OD1-NZ 3.24Å
159D98.2Very high94.2Very high0 Ų029 Ų290%016%0.159CC..  trans-94.713.9-177.968.5-6000115.5R80 P81 F134 Y138 G140 F142 L161 L183R80-D159 WeakPolarHBondContact CD-OD1 3.27Å; R80-D159 VanDerWaalsContact CG-OD1 3.23Å; R80-D159 WeakPolarHBondContact CG-OD1 3.37Å; R80-D159 IonicContact CZ-OD1 3.02Å; R80-D159 IonicContact NE-OD1 3.49Å; R80-D159 IonicContact NH1-OD1 3.4Å; R80-D159 PolarHBondContact NH1-OD1 3.37Å; P81-D159 WeakPolarHBondContact CD-O 3.29Å; F134-D159 HydrophobicContact CE1-CB 4.42Å; Y138-D159 VanDerWaalsContact CE2-OD2 3.23Å; Y138-D159 WeakPolarHBondContact CE2-OD2 3.49Å; Y138-D159 VanDerWaalsContact CZ-OD2 3.29Å; Y138-D159 PolarHBondContact OH-OD2 3.34Å; G140-D159 PolarHBondContact O-N 2.84Å; F142-D159 HydrophobicContact CD2-CB 3.84Å; F142-D159 HydrophobicContact CE2-CB 3.68Å; D159-L161 PolarHBondContact O-N 3.16Å; D159-L183 HydrophobicContact CB-CD2 3.81Å
160R98.4Very high94.4Very high32 Ų3228.7 Ų28.712%0.12116%0.157CC..  trans-70.1120.3174.5-62.4176-72.4-166.70.4110.1E50 W78 M79 R80 D158 K186E50-R160 VanDerWaalsContact CD-NH1 3.35Å; E50-R160 IonicContact OE2-CZ 2.85Å; E50-R160 IonicContact OE2-NH1 3.59Å; E50-R160 PolarHBondContact OE2-NH1 3.25Å; W78-R160 HydrophobicContact CB-CB 4.33Å; W78-R160 HydrophobicContact CE3-CB 4.13Å; W78-R160 VanDerWaalsContact CE3-O 3.28Å; W78-R160 WeakPolarHBondContact CZ3-O 3.45Å; M79-R160 CarbonylContact O-C 3.56Å; R80-R160 HydrophobicContact CG-CG 3.84Å; D158-R160 VanDerWaalsContact OD1-CB 3.27Å; D158-R160 WeakPolarHBondContact OD1-CB 3.45Å; D158-R160 WeakPolarHBondContact OD1-CG 3.26Å; D158-R160 PolarHBondContact OD1-N 2.8Å; D158-R160 IonicContact OD1-NE 3.9Å; D158-R160 PolarHBondContact OD1-NE 3Å; D158-R160 IonicContact OD2-CZ 2.92Å; D158-R160 VanDerWaalsContact OD2-CZ 3.29Å; D158-R160 IonicContact OD2-NE 2.85Å; D158-R160 PolarHBondContact OD2-NE 2.72Å; D158-R160 VanDerWaalsContact OD2-NE 3.13Å; D158-R160 IonicContact OD2-NH2 3.42Å; D158-R160 PolarHBondContact OD2-NH2 3.17Å; R160-K186 WeakPolarHBondContact O-CD 2.87Å; R160-K186 WeakPolarHBondContact O-CE 3.33Å; R160-K186 PolarHBondContact O-NZ 3.39Å
161L98.1Very high94.7Very high4 Ų428.3 Ų28.32%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-111.6144.6-178.6-68.2167.9000111.1W78 M79 P81 D159 V163 L168 F179 A182 L183 K186W78-L161 WeakPolarHBondContact CA-O 3.35Å; M79-L161 PolarHBondContact N-O 3.21Å; M79-L161 PolarHBondContact O-N 3.37Å; P81-L161 HydrophobicContact CG-CD1 4.28Å; D159-L161 PolarHBondContact O-N 3.16Å; L161-V163 PolarHBondContact O-N 2.77Å; L161-L168 HydrophobicContact CB-CD2 3.6Å; L161-L168 HydrophobicContact CD1-CD2 3.77Å; L161-L168 HydrophobicContact CG-CD2 4.3Å; L161-F179 HydrophobicContact CD1-CD1 3.98Å; L161-A182 HydrophobicContact CD1-CB 3.74Å; L161-A182 HydrophobicContact CD2-CB 4.05Å; L161-L183 HydrophobicContact CD2-CD2 4.22Å; L161-L183 HydrophobicContact CG-CD2 4.41Å; L161-K186 HydrophobicContact CD2-CB 4.41Å; L161-K186 HydrophobicContact CD2-CD 4.24Å
162P96.8Very high94.8Very high3 Ų329.9 Ų29.92%0.01916%0.16CC..EExtended strand (participates in β ladder)trans-66.7122.2173.8-25.339000112L61 V76 W78 M169 F170 Y195L61-P162 HydrophobicContact CD2-CB 3.81Å; L61-P162 HydrophobicContact CD2-CG 3.57Å; V76-P162 HydrophobicContact CG1-CB 4.01Å; W78-P162 HydrophobicContact CD2-CG 4.22Å; W78-P162 HydrophobicContact CE3-CG 3.99Å; W78-P162 HydrophobicContact CH2-CG 3.73Å; W78-P162 HydrophobicContact CZ2-CG 3.95Å; W78-P162 HydrophobicContact CZ3-CG 3.74Å; P162-M169 HydrophobicContact CB-CB 4.29Å; P162-M169 WeakPolarHBondContact O-CB 3.34Å; P162-M169 PolarHBondContact O-N 3.32Å; P162-F170 HydrophobicContact CB-CD2 4.17Å; P162-F170 HydrophobicContact CB-CE2 3.9Å; P162-F170 HydrophobicContact CG-CD2 4.06Å; P162-F170 HydrophobicContact CG-CE2 3.78Å; P162-Y195 HydrophobicContact CG-CE2 3.9Å
163V95.5Very high94.6Very high4 Ų429.3 Ų29.32%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-124.3137.9-177.2172.60000109.2V76 E77 M79 L84 L161 E167 L168V76-V163 WeakPolarHBondContact CA-O 3.25Å; E77-V163 PolarHBondContact N-O 3.48Å; E77-V163 PolarHBondContact O-N 2.93Å; M79-V163 HydrophobicContact CB-CG2 4.11Å; M79-V163 HydrophobicContact CG-CB 4.41Å; M79-V163 HydrophobicContact CG-CG2 4.44Å; M79-V163 HydrophobicContact SD-CB 4.35Å; M79-V163 HydrophobicContact SD-CG1 4.08Å; L84-V163 HydrophobicContact CD1-CG2 3.95Å; L84-V163 HydrophobicContact CD2-CG1 4.27Å; L84-V163 HydrophobicContact CD2-CG2 4.02Å; L161-V163 PolarHBondContact O-N 2.77Å; V163-E167 CarbonylContact C-O 3.51Å; V163-E167 VanDerWaalsContact CA-O 3.3Å; V163-E167 WeakPolarHBondContact CA-O 3.47Å; V163-E167 WeakPolarHBondContact CG1-O 3.39Å; V163-L168 HydrophobicContact CG2-CD2 3.99Å
164K92.3Very high93.9Very high57 Ų5732.3 Ų32.325%0.24819%0.185CC..EExtended strand (participates in β ladder)trans-135.2131.9175-168.9174.8-173.5169.60109.3S71 K72 R74 V76 G166 E167S71-K164 PolarHBondContact O-NZ 3.4Å; K72-K164 PolarHBondContact O-NZ 2.94Å; R74-K164 WeakPolarHBondContact O-CE 3.35Å; R74-K164 PolarHBondContact O-NZ 3.08Å; V76-K164 HydrophobicContact CG2-CB 4.4Å; V76-K164 HydrophobicContact CG2-CD 4.33Å; K164-G166 PolarHBondContact O-N 2.88Å; K164-G166 VanDerWaalsContact O-N 3.1Å; K164-E167 PolarHBondContact N-O 3.29Å; K164-E167 PolarHBondContact O-N 3.06Å
165D90.4Very high93.1Very high149 Ų14938.4 Ų38.480%0.79721%0.213SC*.THydrogen-bonded Turntrans55.327.8-178.5-57.6-49.1000113.5E167D165-E167 VanDerWaalsContact C-N 3.34Å
166G88.1Confident92.3Very high58 Ų5840.9 Ų40.960%0.59824%0.239SC*.THydrogen-bonded Turntrans841.1-179.200000115.2K164K164-G166 PolarHBondContact O-N 2.88Å; K164-G166 VanDerWaalsContact O-N 3.1Å
167E90.9Very high91.9Very high151 Ų15142.6 Ų42.671%0.70625%0.248SC*.EExtended strand (participates in β ladder)trans-114.9150.2178.6-64.9-177170.800111.6V163 K164 D165 M169V163-E167 CarbonylContact C-O 3.51Å; V163-E167 VanDerWaalsContact CA-O 3.3Å; V163-E167 WeakPolarHBondContact CA-O 3.47Å; V163-E167 WeakPolarHBondContact CG1-O 3.39Å; K164-E167 PolarHBondContact N-O 3.29Å; K164-E167 PolarHBondContact O-N 3.06Å; D165-E167 VanDerWaalsContact C-N 3.34Å; E167-M169 PolarHBondContact O-N 2.94Å
168L93.6Very high91.6Very high35 Ų3542.8 Ų42.818%0.18325%0.249CC..EExtended strand (participates in β ladder)trans-61.2130.8174.3-73.2172.7000109.9L84 L161 V163 H172 F179L84-L168 HydrophobicContact CD1-CD2 4.07Å; L161-L168 HydrophobicContact CB-CD2 3.6Å; L161-L168 HydrophobicContact CD1-CD2 3.77Å; L161-L168 HydrophobicContact CG-CD2 4.3Å; V163-L168 HydrophobicContact CG2-CD2 3.99Å; L168-H172 HydrophobicContact CB-CB 4.22Å; L168-H172 HydrophobicContact CD1-CB 3.71Å; L168-F179 HydrophobicContact CD1-CD1 4.25Å; L168-F179 HydrophobicContact CD1-CE1 4.05Å
169M92.9Very high91.5Very high18 Ų1843 Ų439%0.08925%0.25CC..SBendtrans-75.3-27.3-176.5-174.2175.5175.200112.9L66 V76 A104 P162 E167L66-M169 HydrophobicContact CD2-CE 3.78Å; V76-M169 HydrophobicContact CG2-SD 3.8Å; A104-M169 HydrophobicContact CB-CG 4.45Å; A104-M169 PolarHBondContact N-O 3.09Å; P162-M169 HydrophobicContact CB-CB 4.29Å; P162-M169 WeakPolarHBondContact O-CB 3.34Å; P162-M169 PolarHBondContact O-N 3.32Å; E167-M169 PolarHBondContact O-N 2.94Å
170F94.1Very high91.3Very high6 Ų643 Ų433%0.02625%0.25CC..SBendtrans-117.9-148.4-173.9-54.7-55.6000111.3L61 L66 G103 L105 P162 H172 E185 Y195L61-F170 HydrophobicContact CD2-CE2 3.99Å; L61-F170 HydrophobicContact CD2-CZ 4.27Å; L66-F170 HydrophobicContact CD1-CE1 4.1Å; L66-F170 HydrophobicContact CD1-CZ 3.96Å; G103-F170 WeakPolarHBondContact CA-O 3.16Å; L105-F170 HydrophobicContact CB-CD1 3.64Å; L105-F170 HydrophobicContact CB-CE1 3.86Å; L105-F170 HydrophobicContact CD2-CD1 4.16Å; L105-F170 HydrophobicContact CD2-CE1 4.2Å; L105-F170 HydrophobicContact CG-CD1 4.5Å; L105-F170 HydrophobicContact CG-CE1 4.46Å; P162-F170 HydrophobicContact CB-CD2 4.17Å; P162-F170 HydrophobicContact CB-CE2 3.9Å; P162-F170 HydrophobicContact CG-CD2 4.06Å; P162-F170 HydrophobicContact CG-CE2 3.78Å; F170-H172 PolarHBondContact O-ND1 3.5Å; F170-E185 WeakPolarHBondContact CB-OE2 3.5Å; F170-Y195 HydrophobicContact CB-CE1 4.4Å; F170-Y195 AromaticContact CD2-CD1 3.38Å; F170-Y195 HydrophobicContact CD2-CD1 3.38Å; F170-Y195 HydrophobicContact CD2-CD2 4.32Å; F170-Y195 AromaticContact CD2-CE1 3.3Å; F170-Y195 HydrophobicContact CD2-CE1 3.3Å; F170-Y195 HydrophobicContact CD2-CE2 4.25Å; F170-Y195 AromaticContact CD2-CG 3.89Å; F170-Y195 HydrophobicContact CD2-CG 3.89Å; F170-Y195 AromaticContact CD2-CZ 3.75Å; F170-Y195 AromaticContact CE2-CD1 3.4Å; F170-Y195 HydrophobicContact CE2-CD1 3.4Å; F170-Y195 VanDerWaalsContact CE2-CD1 3.4Å; F170-Y195 AromaticContact CE2-CD2 3.72Å; F170-Y195 HydrophobicContact CE2-CD2 3.72Å; F170-Y195 AromaticContact CE2-CE1 3.71Å; F170-Y195 HydrophobicContact CE2-CE1 3.71Å; F170-Y195 AromaticContact CE2-CE2 4Å; F170-Y195 HydrophobicContact CE2-CE2 4Å; F170-Y195 AromaticContact CE2-CG 3.39Å; F170-Y195 HydrophobicContact CE2-CG 3.39Å; F170-Y195 AromaticContact CE2-CZ 3.98Å; F170-Y195 AromaticContact CG-CD1 3.97Å; F170-Y195 HydrophobicContact CG-CD1 3.97Å; F170-Y195 HydrophobicContact CG-CE1 4.03Å; F170-Y195 HydrophobicContact CZ-CD1 4.03Å; F170-Y195 HydrophobicContact CZ-CD2 4.45Å; F170-Y195 AromaticContact CZ-CG 3.87Å; F170-Y195 HydrophobicContact CZ-CG 3.87Å
171V92.1Very high91.2Very high2 Ų241.5 Ų41.51%0.01224%0.244CC..  trans-58.3142.3-176.473.50000112I100 C101 L111 S181 A182 E185I100-V171 HydrophobicContact CG2-CG2 4.09Å; C101-V171 WeakPolarHBondContact O-CA 3.47Å; L111-V171 HydrophobicContact CD2-CB 3.72Å; L111-V171 HydrophobicContact CD2-CG1 4.45Å; L111-V171 HydrophobicContact CD2-CG2 3.46Å; L111-V171 VanDerWaalsContact CD2-CG2 3.46Å; V171-S181 VanDerWaalsContact CG1-O 3.3Å; V171-S181 WeakPolarHBondContact CG1-O 3.3Å; V171-A182 VanDerWaalsContact CG1-CA 3.46Å; V171-A182 HydrophobicContact CG1-CB 4.34Å; V171-A182 WeakPolarHBondContact O-CB 3.48Å; V171-E185 WeakPolarHBondContact CB-OE1 3.26Å; V171-E185 HydrophobicContact CG1-CB 3.55Å; V171-E185 VanDerWaalsContact CG1-CD 3.47Å; V171-E185 HydrophobicContact CG1-CG 4.1Å; V171-E185 WeakPolarHBondContact CG1-OE2 3.32Å; V171-E185 PolarHBondContact N-OE1 3.41Å; V171-E185 PolarHBondContact N-OE2 3.46Å
172H90.1Very high91.1Very high68 Ų6841.4 Ų41.432%0.31524%0.244SC..BIsolated β-bridgetrans-150.3161.1176.655.3-81.2000110.6D99 C101 L168 F170D99-H172 CarbonylContact O-C 3.59Å; C101-H172 WeakPolarHBondContact CB-O 3.11Å; C101-H172 PolarHBondContact N-O 3.27Å; C101-H172 PolarHBondContact O-N 2.96Å; L168-H172 HydrophobicContact CB-CB 4.22Å; L168-H172 HydrophobicContact CD1-CB 3.71Å; F170-H172 PolarHBondContact O-ND1 3.5Å
173S88.3Confident91.1Very high4 Ų441.3 Ų41.33%0.02824%0.243CC..  trans-85.4147173.3176.20000111.1D99 E175 G176 E178D99-S173 WeakPolarHBondContact O-CA 3.41Å; S173-E175 PolarHBondContact O-N 2.92Å; S173-E175 PolarHBondContact OG-N 3.22Å; S173-G176 PolarHBondContact O-N 3.44Å; S173-E178 PolarHBondContact OG-OE2 2.91Å; S173-E178 VanDerWaalsContact OG-OE2 3.1Å
174A81.6Confident91.2Very high77 Ų7741.1 Ų41.164%0.63624%0.242SC*.THydrogen-bonded Turntrans-65.3-25.5173.600000113G176A174-G176 VanDerWaalsContact C-N 3.26Å; A174-G176 PolarHBondContact O-N 3.03Å
175E80.4Confident91.4Very high138 Ų13838.5 Ų38.565%0.64523%0.231SC*.THydrogen-bonded Turntrans-71.3-21.4177.3-67.4-66.4154.700112.6S173 N177S173-E175 PolarHBondContact O-N 2.92Å; S173-E175 PolarHBondContact OG-N 3.22Å; E175-N177 PolarHBondContact O-N 3.2Å; E175-N177 VanDerWaalsContact O-N 3.11Å
176G81Confident91.8Very high53 Ų5331.4 Ų31.455%0.54619%0.193SC..SBendtrans76.5-14.7173.500000116.3S173 A174S173-G176 PolarHBondContact O-N 3.44Å; A174-G176 VanDerWaalsContact C-N 3.26Å; A174-G176 PolarHBondContact O-N 3.03Å
177N89.8Confident92.3Very high36 Ų3628.7 Ų28.719%0.19316%0.164CC..SBendtrans-112.27.5174.875.9-32000114.2T85 D87 Q89 E175 F179T85-N177 HydrophobicContact CG2-CB 4.48Å; D87-N177 PolarHBondContact O-ND2 3.37Å; Q89-N177 WeakPolarHBondContact CB-O 3.13Å; Q89-N177 PolarHBondContact N-O 3.38Å; E175-N177 PolarHBondContact O-N 3.2Å; E175-N177 VanDerWaalsContact O-N 3.11Å; N177-F179 VanDerWaalsContact C-CE2 3.43Å; N177-F179 WeakPolarHBondContact O-CD2 3.43Å; N177-F179 VanDerWaalsContact O-CE2 3.27Å; N177-F179 WeakPolarHBondContact O-CE2 3.36Å
178E92.8Very high92.5Very high4 Ų421.5 Ų21.52%0.01913%0.131CC..BIsolated β-bridgetrans-111133.3-179.3-175.9-178.6-138.800111.7Q89 F90 I91 V92 D99 S173Q89-E178 WeakPolarHBondContact O-CA 3.49Å; F90-E178 WeakPolarHBondContact O-CG 3.07Å; I91-E178 VanDerWaalsContact CA-OE1 3.28Å; I91-E178 WeakPolarHBondContact CA-OE1 3.38Å; V92-E178 HydrophobicContact CG2-CB 4.36Å; V92-E178 PolarHBondContact N-OE1 2.85Å; D99-E178 WeakPolarHBondContact CB-OE2 3.25Å; S173-E178 PolarHBondContact OG-OE2 2.91Å; S173-E178 VanDerWaalsContact OG-OE2 3.1Å
179F95.8Very high92.6Very high5 Ų519.9 Ų19.92%0.02212%0.122CC..  trans-129.3-0.8-165.1-63.7-89.2000116.2P81 L84 T85 P88 Q89 F134 L161 L168 N177 S181 A182 L183P81-F179 HydrophobicContact CB-CD1 3.96Å; P81-F179 HydrophobicContact CB-CD2 3.78Å; P81-F179 HydrophobicContact CB-CE1 3.97Å; P81-F179 HydrophobicContact CB-CE2 3.8Å; P81-F179 HydrophobicContact CB-CG 3.87Å; P81-F179 HydrophobicContact CB-CZ 3.9Å; P81-F179 HydrophobicContact CG-CB 4.21Å; P81-F179 HydrophobicContact CG-CD1 3.71Å; P81-F179 HydrophobicContact CG-CD2 4.22Å; P81-F179 HydrophobicContact CG-CE1 4.1Å; P81-F179 HydrophobicContact CG-CG 3.78Å; L84-F179 HydrophobicContact CD1-CE1 4.35Å; T85-F179 HydrophobicContact CG2-CE2 3.72Å; T85-F179 HydrophobicContact CG2-CZ 3.84Å; P88-F179 HydrophobicContact CB-CD2 4.2Å; P88-F179 HydrophobicContact CB-CE2 3.94Å; Q89-F179 PolarHBondContact O-N 3Å; Q89-F179 VanDerWaalsContact O-N 3.09Å; F134-F179 HydrophobicContact CE2-CB 4.12Å; F134-F179 HydrophobicContact CE2-CD2 4.35Å; F134-F179 HydrophobicContact CZ-CB 4.04Å; L161-F179 HydrophobicContact CD1-CD1 3.98Å; L168-F179 HydrophobicContact CD1-CD1 4.25Å; L168-F179 HydrophobicContact CD1-CE1 4.05Å; N177-F179 VanDerWaalsContact C-CE2 3.43Å; N177-F179 WeakPolarHBondContact O-CD2 3.43Å; N177-F179 VanDerWaalsContact O-CE2 3.27Å; N177-F179 WeakPolarHBondContact O-CE2 3.36Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 2.9Å; F179-A182 PolarHBondContact O-N 3.31Å; F179-L183 WeakPolarHBondContact O-CG 3.33Å; F179-L183 PolarHBondContact O-N 3.32Å
180W95.2Very high92.8Very high0 Ų019.3 Ų19.30%012%0.119CC..Hα-helixtrans-57.2-39.2-178.570.9-88.6000112.7F90 I91 A95 D99 I100 I114 T118 L124 V128 L183 L184F90-W180 HydrophobicContact CD1-CB 4.4Å; F90-W180 HydrophobicContact CD2-CB 4.12Å; F90-W180 HydrophobicContact CE1-CB 4.18Å; F90-W180 HydrophobicContact CE2-CB 3.89Å; F90-W180 HydrophobicContact CG-CB 4.38Å; F90-W180 HydrophobicContact CZ-CB 3.92Å; F90-W180 VanDerWaalsContact O-CB 3.23Å; F90-W180 WeakPolarHBondContact O-CB 3.5Å; F90-W180 VanDerWaalsContact O-CD1 3.31Å; F90-W180 PolarHBondContact O-N 2.88Å; F90-W180 VanDerWaalsContact O-N 3.08Å; I91-W180 HydrophobicContact CD1-CB 4.44Å; I91-W180 HydrophobicContact CD1-CG 4.41Å; I91-W180 HydrophobicContact CG1-CB 3.78Å; I91-W180 HydrophobicContact CG1-CG 3.71Å; A95-W180 HydrophobicContact CB-CD2 4.13Å; A95-W180 HydrophobicContact CB-CH2 4.27Å; A95-W180 HydrophobicContact CB-CZ2 3.6Å; D99-W180 HydrophobicContact CB-CZ2 4.05Å; D99-W180 PolarHBondContact OD2-NE1 3.42Å; I100-W180 HydrophobicContact CD1-CH2 3.84Å; I100-W180 HydrophobicContact CD1-CZ2 3.94Å; I114-W180 HydrophobicContact CG2-CH2 3.59Å; I114-W180 HydrophobicContact CG2-CZ3 3.77Å; T118-W180 HydrophobicContact CG2-CH2 3.81Å; T118-W180 HydrophobicContact CG2-CZ2 4.08Å; L124-W180 HydrophobicContact CD1-CH2 4.11Å; L124-W180 HydrophobicContact CD1-CZ3 3.94Å; V128-W180 HydrophobicContact CG2-CE3 4.06Å; V128-W180 HydrophobicContact CG2-CZ3 4.25Å; W180-L183 PolarHBondContact O-N 3.46Å; W180-L184 HydrophobicContact CE3-CD2 4.27Å; W180-L184 HydrophobicContact CZ3-CD2 3.8Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.08Å; W180-L184 PolarHBondContact O-N 3.32Å
181S94.4Very high92.8Very high0 Ų019.1 Ų19.10%012%0.118CC..Hα-helixtrans-68-42.6-178.457.60000112D99 V171 F179 L183 L184 E185D99-S181 PolarHBondContact O-OG 2.91Å; V171-S181 VanDerWaalsContact CG1-O 3.3Å; V171-S181 WeakPolarHBondContact CG1-O 3.3Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 2.9Å; S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 PolarHBondContact O-N 3.29Å; S181-L184 PolarHBondContact O-N 2.78Å; S181-E185 PolarHBondContact O-N 3.04Å
182A96Very high92.8Very high2 Ų219.6 Ų19.62%0.01712%0.121CC..Hα-helixtrans-61.4-42174.600000112.2L161 V171 F179 K186L161-A182 HydrophobicContact CD1-CB 3.74Å; L161-A182 HydrophobicContact CD2-CB 4.05Å; V171-A182 VanDerWaalsContact CG1-CA 3.46Å; V171-A182 HydrophobicContact CG1-CB 4.34Å; V171-A182 WeakPolarHBondContact O-CB 3.48Å; F179-A182 PolarHBondContact O-N 3.31Å; A182-K186 PolarHBondContact O-N 2.87Å
183L97.9Very high92.9Very high0 Ų018.5 Ų18.50%013%0.128CC..Hα-helixtrans-71.2-37.3177.2-67.5175000112F90 F134 F142 F144 I157 D159 L161 F179 W180 S181 K186 A187F90-L183 HydrophobicContact CD2-CD1 4.11Å; F90-L183 HydrophobicContact CE2-CD1 3.94Å; F134-L183 HydrophobicContact CZ-CD1 4Å; F142-L183 HydrophobicContact CB-CD1 4.5Å; F142-L183 HydrophobicContact CD1-CD1 4.07Å; F142-L183 HydrophobicContact CD2-CD1 3.81Å; F142-L183 HydrophobicContact CE1-CD1 4.26Å; F142-L183 HydrophobicContact CE2-CD1 4.02Å; F142-L183 HydrophobicContact CG-CD1 3.86Å; F142-L183 HydrophobicContact CZ-CD1 4.24Å; F144-L183 HydrophobicContact CE2-CB 3.81Å; F144-L183 HydrophobicContact CZ-CB 3.62Å; I157-L183 HydrophobicContact CD1-CB 4.05Å; I157-L183 HydrophobicContact CD1-CD2 4.01Å; I157-L183 WeakPolarHBondContact CD1-O 3.34Å; D159-L183 HydrophobicContact CB-CD2 3.81Å; L161-L183 HydrophobicContact CD2-CD2 4.22Å; L161-L183 HydrophobicContact CG-CD2 4.41Å; F179-L183 WeakPolarHBondContact O-CG 3.33Å; F179-L183 PolarHBondContact O-N 3.32Å; W180-L183 PolarHBondContact O-N 3.46Å; S181-L183 VanDerWaalsContact C-N 3.34Å; S181-L183 PolarHBondContact O-N 3.29Å; L183-K186 WeakPolarHBondContact O-CB 3.43Å; L183-K186 PolarHBondContact O-N 3.32Å; L183-A187 PolarHBondContact O-N 2.97Å
184L97.4Very high93.1Very high1 Ų118.6 Ų18.61%0.00513%0.129CC..Hα-helixtrans-62.1-47.7175.3179.166.9000111.3I114 V127 V128 F144 F146 W180 S181 K186 A187 Y188I114-L184 HydrophobicContact CD1-CD2 3.88Å; I114-L184 HydrophobicContact CD1-CG 4.41Å; I114-L184 HydrophobicContact CG1-CD2 3.88Å; I114-L184 HydrophobicContact CG2-CD2 3.95Å; V127-L184 HydrophobicContact CG1-CD1 3.57Å; V127-L184 HydrophobicContact CG1-CD2 4.49Å; V128-L184 HydrophobicContact CG2-CD1 4.34Å; V128-L184 HydrophobicContact CG2-CD2 4.37Å; F144-L184 HydrophobicContact CB-CD1 4.09Å; F144-L184 HydrophobicContact CD1-CB 4.12Å; F144-L184 HydrophobicContact CD1-CD1 3.38Å; F144-L184 HydrophobicContact CD1-CG 4.36Å; F144-L184 HydrophobicContact CE1-CB 3.82Å; F144-L184 HydrophobicContact CE1-CD1 3.97Å; F144-L184 HydrophobicContact CG-CD1 3.85Å; F144-L184 HydrophobicContact CZ-CB 4.26Å; F146-L184 HydrophobicContact CE1-CD1 3.57Å; F146-L184 HydrophobicContact CE1-CG 4.48Å; F146-L184 HydrophobicContact CZ-CD1 3.61Å; W180-L184 HydrophobicContact CE3-CD2 4.27Å; W180-L184 HydrophobicContact CZ3-CD2 3.8Å; W180-L184 VanDerWaalsContact O-CB 3.28Å; W180-L184 WeakPolarHBondContact O-CB 3.08Å; W180-L184 PolarHBondContact O-N 3.32Å; S181-L184 PolarHBondContact O-N 2.78Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.43Å; L184-A187 PolarHBondContact O-N 2.87Å; L184-Y188 PolarHBondContact O-N 2.69Å
185E96.9Very high93.8Very high2 Ų215 Ų151%0.00910%0.099CC..Hα-helixtrans-60.7-41.4175.6-175.1-161.9-117.200111L110 F170 V171 S181 A187 Y188 A189 Y195 L198L110-E185 HydrophobicContact CD2-CG 4.37Å; F170-E185 WeakPolarHBondContact CB-OE2 3.5Å; V171-E185 WeakPolarHBondContact CB-OE1 3.26Å; V171-E185 HydrophobicContact CG1-CB 3.55Å; V171-E185 VanDerWaalsContact CG1-CD 3.47Å; V171-E185 HydrophobicContact CG1-CG 4.1Å; V171-E185 WeakPolarHBondContact CG1-OE2 3.32Å; V171-E185 PolarHBondContact N-OE1 3.41Å; V171-E185 PolarHBondContact N-OE2 3.46Å; S181-E185 PolarHBondContact O-N 3.04Å; E185-A187 PolarHBondContact O-N 3.44Å; E185-Y188 PolarHBondContact O-N 2.83Å; E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.36Å; E185-Y195 HydrophobicContact CG-CE1 4.28Å; E185-Y195 WeakPolarHBondContact OE2-CE1 3.33Å; E185-L198 HydrophobicContact CG-CD1 4.25Å
186K98.1Very high94.4Very high0 Ų09.2 Ų9.20%07%0.072CC..Hα-helixtrans-59.5-46.1173.9-175.9174.9169.5-172.80112.6F54 I157 D158 R160 L161 A182 L183 L184 Y188 A189 K190 Y195F54-K186 HydrophobicContact CD1-CG 4.47Å; F54-K186 HydrophobicContact CE1-CG 4.16Å; I157-K186 HydrophobicContact CD1-CB 3.98Å; I157-K186 HydrophobicContact CD1-CD 4.03Å; I157-K186 HydrophobicContact CD1-CG 4.09Å; D158-K186 WeakPolarHBondContact O-CE 3.11Å; D158-K186 PolarHBondContact O-NZ 3.13Å; D158-K186 IonicContact OD1-NZ 2.87Å; D158-K186 PolarHBondContact OD1-NZ 3.24Å; R160-K186 WeakPolarHBondContact O-CD 2.87Å; R160-K186 WeakPolarHBondContact O-CE 3.33Å; R160-K186 PolarHBondContact O-NZ 3.39Å; L161-K186 HydrophobicContact CD2-CB 4.41Å; L161-K186 HydrophobicContact CD2-CD 4.24Å; A182-K186 PolarHBondContact O-N 2.87Å; L183-K186 WeakPolarHBondContact O-CB 3.43Å; L183-K186 PolarHBondContact O-N 3.32Å; L184-K186 VanDerWaalsContact C-N 3.32Å; L184-K186 PolarHBondContact O-N 3.43Å; K186-Y188 VanDerWaalsContact C-N 3.28Å; K186-Y188 PolarHBondContact O-N 2.82Å; K186-A189 WeakPolarHBondContact O-CB 3.45Å; K186-A189 PolarHBondContact O-N 3.29Å; K186-K190 PolarHBondContact O-N 3.2Å; K186-Y195 WeakPolarHBondContact CA-OH 3.42Å; K186-Y195 WeakPolarHBondContact CB-OH 3.49Å; K186-Y195 HydrophobicContact CG-CE2 4.47Å; K186-Y195 WeakPolarHBondContact CG-OH 3.47Å
187A98.1Very high94.9Very high0 Ų06.8 Ų6.80%05%0.047CC..Hα-helixtrans-63.2-39178.700000111.2F144 F146 V155 I157 L183 L184 E185 K190 L191F144-A187 HydrophobicContact CB-CB 4.09Å; F144-A187 HydrophobicContact CD2-CB 3.46Å; F144-A187 VanDerWaalsContact CD2-CB 3.46Å; F144-A187 HydrophobicContact CE2-CB 4.24Å; F144-A187 HydrophobicContact CG-CB 4.04Å; F146-A187 HydrophobicContact CE2-CB 3.79Å; F146-A187 HydrophobicContact CZ-CB 3.96Å; V155-A187 HydrophobicContact CB-CB 4.48Å; V155-A187 HydrophobicContact CG1-CB 4.12Å; I157-A187 HydrophobicContact CD1-CB 4.13Å; I157-A187 HydrophobicContact CG1-CB 4.4Å; I157-A187 HydrophobicContact CG2-CB 3.96Å; L183-A187 PolarHBondContact O-N 2.97Å; L184-A187 PolarHBondContact O-N 2.87Å; E185-A187 PolarHBondContact O-N 3.44Å; A187-K190 WeakPolarHBondContact O-CB 3.42Å; A187-K190 PolarHBondContact O-N 3.13Å; A187-L191 WeakPolarHBondContact O-CB 3.21Å; A187-L191 PolarHBondContact O-N 2.94Å
188Y96.4Very high94.9Very high1 Ų15 Ų50%0.0044%0.037CC..Hα-helixtrans-69.5-36.2175.3-161.6-102.9000112.7W109 L110 F146 L184 E185 K186 L191 N192 L198 D209W109-Y188 AromaticContact CH2-CE1 3.67Å; W109-Y188 HydrophobicContact CH2-CE1 3.67Å; W109-Y188 HydrophobicContact CZ2-CE1 4.33Å; W109-Y188 HydrophobicContact CZ3-CE1 4.46Å; L110-Y188 HydrophobicContact CD1-CD1 3.71Å; L110-Y188 HydrophobicContact CD1-CE1 3.69Å; L110-Y188 HydrophobicContact CD1-CG 4.2Å; L110-Y188 HydrophobicContact CD2-CD1 3.53Å; L110-Y188 HydrophobicContact CD2-CE1 4.14Å; L110-Y188 HydrophobicContact CD2-CG 4.23Å; L110-Y188 HydrophobicContact CG-CD1 4.29Å; F146-Y188 AromaticContact CD1-CD2 3.68Å; F146-Y188 HydrophobicContact CD1-CD2 3.68Å; F146-Y188 HydrophobicContact CD1-CE2 4.26Å; F146-Y188 AromaticContact CE1-CD2 3.67Å; F146-Y188 HydrophobicContact CE1-CD2 3.67Å; F146-Y188 HydrophobicContact CE1-CG 4.34Å; F146-Y188 HydrophobicContact CG-CD2 4.14Å; F146-Y188 HydrophobicContact CZ-CD2 4.11Å; L184-Y188 PolarHBondContact O-N 2.69Å; E185-Y188 PolarHBondContact O-N 2.83Å; K186-Y188 VanDerWaalsContact C-N 3.28Å; K186-Y188 PolarHBondContact O-N 2.82Å; Y188-L191 HydrophobicContact CD2-CD2 4.31Å; Y188-L191 HydrophobicContact CE2-CD2 4.44Å; Y188-L191 PolarHBondContact O-N 2.92Å; Y188-N192 VanDerWaalsContact CE1-ND2 3.33Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.14Å; Y188-N192 PolarHBondContact O-N 3.45Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.99Å; Y188-L198 HydrophobicContact CD1-CD1 4.18Å; Y188-L198 HydrophobicContact CD1-CD2 3.43Å; Y188-L198 VanDerWaalsContact CD1-CD2 3.43Å; Y188-L198 HydrophobicContact CD1-CG 4.43Å; Y188-L198 HydrophobicContact CE1-CD2 3.7Å; Y188-D209 HydrophobicContact CE2-CB 3.93Å; Y188-D209 WeakPolarHBondContact CE2-OD2 3.32Å; Y188-D209 PolarHBondContact OH-OD2 3.12Å
189A95.7Very high94.8Very high0 Ų07.3 Ų7.30%05%0.054CC..Hα-helixtrans-62-45171.600000111.4F54 E185 K186 L191 N192 G193 S194 Y195 L198F54-A189 HydrophobicContact CZ-CB 4.2Å; E185-A189 WeakPolarHBondContact O-CB 3.44Å; E185-A189 PolarHBondContact O-N 3.36Å; K186-A189 WeakPolarHBondContact O-CB 3.45Å; K186-A189 PolarHBondContact O-N 3.29Å; A189-L191 PolarHBondContact O-N 3.13Å; A189-N192 CarbonylContact O-C 3.5Å; A189-N192 PolarHBondContact O-N 2.96Å; A189-G193 CarbonylContact O-C 3.45Å; A189-G193 PolarHBondContact O-N 3.36Å; A189-S194 PolarHBondContact O-N 3.31Å; A189-Y195 HydrophobicContact CB-CD1 3.81Å; A189-Y195 HydrophobicContact CB-CD2 4.06Å; A189-Y195 HydrophobicContact CB-CE1 4.07Å; A189-Y195 HydrophobicContact CB-CE2 4.31Å; A189-Y195 HydrophobicContact CB-CG 3.83Å; A189-L198 HydrophobicContact CB-CD1 3.83Å; A189-L198 HydrophobicContact CB-CG 4.35Å
190K96.2Very high94.2Very high6 Ų68.8 Ų8.83%0.0267%0.07CC..Hα-helixtrans-57.7-47.1173.8172.1175.2-178.7179.50111.8F30 D51 F54 V155 V156 I157 K186 A187 N192 G193F30-K190 HydrophobicContact CD1-CG 4.48Å; F30-K190 HydrophobicContact CE1-CD 4.35Å; F30-K190 HydrophobicContact CE1-CG 3.93Å; D51-K190 VanDerWaalsContact CG-NZ 3.27Å; D51-K190 IonicContact OD1-NZ 3.42Å; D51-K190 PolarHBondContact OD1-NZ 3.05Å; D51-K190 VanDerWaalsContact OD1-NZ 3.15Å; D51-K190 WeakPolarHBondContact OD2-CD 3.29Å; D51-K190 WeakPolarHBondContact OD2-CE 3.28Å; D51-K190 IonicContact OD2-NZ 3.21Å; D51-K190 PolarHBondContact OD2-NZ 2.91Å; F54-K190 HydrophobicContact CB-CB 4.12Å; F54-K190 HydrophobicContact CB-CD 3.63Å; F54-K190 HydrophobicContact CB-CG 3.74Å; F54-K190 HydrophobicContact CD1-CB 3.99Å; F54-K190 HydrophobicContact CD2-CB 3.79Å; F54-K190 HydrophobicContact CD2-CG 3.98Å; F54-K190 HydrophobicContact CE1-CB 4.31Å; F54-K190 HydrophobicContact CE2-CB 4.14Å; F54-K190 HydrophobicContact CG-CB 3.7Å; F54-K190 HydrophobicContact CG-CD 4.19Å; F54-K190 HydrophobicContact CG-CG 3.86Å; F54-K190 HydrophobicContact CZ-CB 4.37Å; V155-K190 HydrophobicContact CG1-CD 3.98Å; V155-K190 HydrophobicContact CG1-CG 4.32Å; V156-K190 PolarHBondContact O-NZ 2.79Å; I157-K190 HydrophobicContact CG2-CB 4.42Å; I157-K190 HydrophobicContact CG2-CD 3.75Å; K186-K190 PolarHBondContact O-N 3.2Å; A187-K190 WeakPolarHBondContact O-CB 3.42Å; A187-K190 PolarHBondContact O-N 3.13Å; K190-N192 PolarHBondContact O-N 3.1Å; K190-G193 PolarHBondContact O-N 2.91Å; K190-G193 VanDerWaalsContact O-N 3.08Å
191L93.9Very high93.7Very high2 Ų210.5 Ų10.51%0.019%0.088CC..Hα-helixtrans-58.9-36.9179.3-17561.5000112.3F30 F146 Q148 V153 V155 A187 Y188 A189 R421F30-L191 HydrophobicContact CD2-CD1 3.75Å; F30-L191 HydrophobicContact CE2-CD1 3.77Å; F30-L191 HydrophobicContact CG-CD1 4.47Å; F30-L191 HydrophobicContact CZ-CD1 4.49Å; F146-L191 HydrophobicContact CB-CD2 3.79Å; F146-L191 HydrophobicContact CD2-CD2 3.78Å; F146-L191 HydrophobicContact CG-CD2 3.92Å; Q148-L191 VanDerWaalsContact CD-CD2 3.45Å; Q148-L191 HydrophobicContact CG-CD1 4.23Å; Q148-L191 HydrophobicContact CG-CD2 3.74Å; Q148-L191 HydrophobicContact CG-CG 4.36Å; V153-L191 HydrophobicContact CG1-CD1 4.39Å; V155-L191 HydrophobicContact CG2-CB 4.48Å; V155-L191 HydrophobicContact CG2-CD1 4.06Å; A187-L191 WeakPolarHBondContact O-CB 3.21Å; A187-L191 PolarHBondContact O-N 2.94Å; Y188-L191 HydrophobicContact CD2-CD2 4.31Å; Y188-L191 HydrophobicContact CE2-CD2 4.44Å; Y188-L191 PolarHBondContact O-N 2.92Å; A189-L191 PolarHBondContact O-N 3.13Å; L191-R421 PolarHBondContact O-NE 3.43Å; L191-R421 VanDerWaalsContact O-NE 3.13Å; L191-R421 PolarHBondContact O-NH2 3.36Å
192N91.9Very high93.3Very high12 Ų1211.5 Ų11.56%0.06410%0.095CC..Hα-helixtrans-89-9.3178.2-73.9-79.4000114.1Y188 A189 K190 A197 L198 R420Y188-N192 VanDerWaalsContact CE1-ND2 3.33Å; Y188-N192 WeakPolarHBondContact CE1-ND2 3.14Å; Y188-N192 PolarHBondContact O-N 3.45Å; Y188-N192 VanDerWaalsContact O-N 3.12Å; Y188-N192 PolarHBondContact O-ND2 2.99Å; A189-N192 CarbonylContact O-C 3.5Å; A189-N192 PolarHBondContact O-N 2.96Å; K190-N192 PolarHBondContact O-N 3.1Å; N192-A197 HydrophobicContact CB-CB 4.08Å; N192-L198 HydrophobicContact CB-CD2 3.86Å; N192-R420 WeakPolarHBondContact OD1-CD 3.11Å
193G92.3Very high93Very high45 Ų4511.5 Ų11.546%0.46410%0.095SC..THydrogen-bonded Turntrans102.8-19.2172.400000116A189 K190A189-G193 CarbonylContact O-C 3.45Å; A189-G193 PolarHBondContact O-N 3.36Å; K190-G193 PolarHBondContact O-N 2.91Å; K190-G193 VanDerWaalsContact O-N 3.08Å
194S94.1Very high92.6Very high7 Ų712.5 Ų12.55%0.04910%0.101CC..SBendtrans-169.5160.9174.859.50000110.3S60 A189 E196 A197S60-S194 CarbonylContact O-C 3.56Å; S60-S194 VanDerWaalsContact O-CA 3.23Å; S60-S194 WeakPolarHBondContact O-CA 3.19Å; S60-S194 WeakPolarHBondContact O-CB 3.19Å; A189-S194 PolarHBondContact O-N 3.31Å; S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 PolarHBondContact O-N 3.04Å; S194-A197 WeakPolarHBondContact O-CB 3.34Å; S194-A197 PolarHBondContact O-N 3.02Å; S194-A197 VanDerWaalsContact O-N 3.16Å; S194-A197 PolarHBondContact OG-N 3.19Å
195Y94.9Very high92.4Very high1 Ų113 Ų130%0.00410%0.103CC..G310 helixtrans-57.8-43.2172.7-80-87.1000112.1F54 S60 L61 W78 L105 P162 F170 E185 K186 A189 A197 L198F54-Y195 HydrophobicContact CE1-CE2 4.15Å; F54-Y195 HydrophobicContact CZ-CD2 4.3Å; F54-Y195 HydrophobicContact CZ-CE2 4.37Å; S60-Y195 WeakPolarHBondContact O-CD2 3.47Å; S60-Y195 PolarHBondContact O-N 3.41Å; L61-Y195 HydrophobicContact CD2-CD2 4.32Å; L61-Y195 WeakPolarHBondContact O-CB 3.43Å; L61-Y195 PolarHBondContact O-N 3.44Å; W78-Y195 HydrophobicContact CH2-CE2 4.06Å; L105-Y195 HydrophobicContact CD2-CD1 4.25Å; L105-Y195 WeakPolarHBondContact CD2-O 3.27Å; P162-Y195 HydrophobicContact CG-CE2 3.9Å; F170-Y195 HydrophobicContact CB-CE1 4.4Å; F170-Y195 AromaticContact CD2-CD1 3.38Å; F170-Y195 HydrophobicContact CD2-CD1 3.38Å; F170-Y195 HydrophobicContact CD2-CD2 4.32Å; F170-Y195 AromaticContact CD2-CE1 3.3Å; F170-Y195 HydrophobicContact CD2-CE1 3.3Å; F170-Y195 HydrophobicContact CD2-CE2 4.25Å; F170-Y195 AromaticContact CD2-CG 3.89Å; F170-Y195 HydrophobicContact CD2-CG 3.89Å; F170-Y195 AromaticContact CD2-CZ 3.75Å; F170-Y195 AromaticContact CE2-CD1 3.4Å; F170-Y195 HydrophobicContact CE2-CD1 3.4Å; F170-Y195 VanDerWaalsContact CE2-CD1 3.4Å; F170-Y195 AromaticContact CE2-CD2 3.72Å; F170-Y195 HydrophobicContact CE2-CD2 3.72Å; F170-Y195 AromaticContact CE2-CE1 3.71Å; F170-Y195 HydrophobicContact CE2-CE1 3.71Å; F170-Y195 AromaticContact CE2-CE2 4Å; F170-Y195 HydrophobicContact CE2-CE2 4Å; F170-Y195 AromaticContact CE2-CG 3.39Å; F170-Y195 HydrophobicContact CE2-CG 3.39Å; F170-Y195 AromaticContact CE2-CZ 3.98Å; F170-Y195 AromaticContact CG-CD1 3.97Å; F170-Y195 HydrophobicContact CG-CD1 3.97Å; F170-Y195 HydrophobicContact CG-CE1 4.03Å; F170-Y195 HydrophobicContact CZ-CD1 4.03Å; F170-Y195 HydrophobicContact CZ-CD2 4.45Å; F170-Y195 AromaticContact CZ-CG 3.87Å; F170-Y195 HydrophobicContact CZ-CG 3.87Å; E185-Y195 HydrophobicContact CG-CE1 4.28Å; E185-Y195 WeakPolarHBondContact OE2-CE1 3.33Å; K186-Y195 WeakPolarHBondContact CA-OH 3.42Å; K186-Y195 WeakPolarHBondContact CB-OH 3.49Å; K186-Y195 HydrophobicContact CG-CE2 4.47Å; K186-Y195 WeakPolarHBondContact CG-OH 3.47Å; A189-Y195 HydrophobicContact CB-CD1 3.81Å; A189-Y195 HydrophobicContact CB-CD2 4.06Å; A189-Y195 HydrophobicContact CB-CE1 4.07Å; A189-Y195 HydrophobicContact CB-CE2 4.31Å; A189-Y195 HydrophobicContact CB-CG 3.83Å; Y195-A197 PolarHBondContact O-N 3.45Å; Y195-A197 VanDerWaalsContact O-N 3.09Å; Y195-L198 VanDerWaalsContact O-CB 3.28Å; Y195-L198 WeakPolarHBondContact O-CB 3.43Å; Y195-L198 WeakPolarHBondContact O-CG 3.38Å; Y195-L198 PolarHBondContact O-N 3.48Å
196E93.6Very high92.2Very high16 Ų1612.9 Ų12.98%0.07510%0.102CC..G310 helixtrans-61-24.2179.2-168172.5177.900113.7L61 G62 F63 K64 E65 L66 S194 L198 S199L61-E196 WeakPolarHBondContact O-CB 3.12Å; L61-E196 PolarHBondContact O-N 3.28Å; G62-E196 WeakPolarHBondContact CA-OE2 3.3Å; F63-E196 HydrophobicContact CE1-CB 4.3Å; F63-E196 HydrophobicContact CE1-CG 4.43Å; F63-E196 HydrophobicContact CZ-CG 4.44Å; F63-E196 PolarHBondContact N-OE2 2.92Å; K64-E196 VanDerWaalsContact CB-OE1 3.31Å; K64-E196 WeakPolarHBondContact CB-OE1 3.4Å; K64-E196 PolarHBondContact N-OE1 3.26Å; K64-E196 PolarHBondContact N-OE2 3.01Å; E65-E196 WeakPolarHBondContact CB-OE1 3.37Å; E65-E196 PolarHBondContact N-OE1 3.19Å; E65-E196 PolarHBondContact N-OE2 3.47Å; L66-E196 HydrophobicContact CB-CB 4.17Å; L66-E196 HydrophobicContact CD1-CB 4.11Å; L66-E196 HydrophobicContact CG-CB 4.38Å; L66-E196 PolarHBondContact N-OE2 3.42Å; S194-E196 VanDerWaalsContact C-N 3.32Å; S194-E196 PolarHBondContact O-N 3.04Å; E196-L198 PolarHBondContact O-N 3.06Å; E196-S199 WeakPolarHBondContact O-CB 3.32Å; E196-S199 PolarHBondContact O-N 3.16Å; E196-S199 VanDerWaalsContact O-N 3.17Å
197A91.1Very high91.9Very high2 Ų212.9 Ų12.92%0.01710%0.102CC..G310 helixtrans-66.4-18.7175.500000113N192 S194 Y195 R420N192-A197 HydrophobicContact CB-CB 4.08Å; S194-A197 WeakPolarHBondContact O-CB 3.34Å; S194-A197 PolarHBondContact O-N 3.02Å; S194-A197 VanDerWaalsContact O-N 3.16Å; S194-A197 PolarHBondContact OG-N 3.19Å; Y195-A197 PolarHBondContact O-N 3.45Å; Y195-A197 VanDerWaalsContact O-N 3.09Å; A197-R420 PolarHBondContact O-NH1 3.03Å
198L91.4Very high91.6Very high0 Ų013 Ų130%010%0.103CC..G310 helixtrans-81-18.6176.6-52.5-173.1000112.7L105 D107 W109 L110 E185 Y188 A189 N192 Y195 E196 G200L105-L198 HydrophobicContact CD2-CB 4.22Å; D107-L198 HydrophobicContact CB-CB 4.04Å; W109-L198 PolarHBondContact NE1-O 3.2Å; L110-L198 HydrophobicContact CD2-CD1 3.94Å; E185-L198 HydrophobicContact CG-CD1 4.25Å; Y188-L198 HydrophobicContact CD1-CD1 4.18Å; Y188-L198 HydrophobicContact CD1-CD2 3.43Å; Y188-L198 VanDerWaalsContact CD1-CD2 3.43Å; Y188-L198 HydrophobicContact CD1-CG 4.43Å; Y188-L198 HydrophobicContact CE1-CD2 3.7Å; A189-L198 HydrophobicContact CB-CD1 3.83Å; A189-L198 HydrophobicContact CB-CG 4.35Å; N192-L198 HydrophobicContact CB-CD2 3.86Å; Y195-L198 VanDerWaalsContact O-CB 3.28Å; Y195-L198 WeakPolarHBondContact O-CB 3.43Å; Y195-L198 WeakPolarHBondContact O-CG 3.38Å; Y195-L198 PolarHBondContact O-N 3.48Å; E196-L198 PolarHBondContact O-N 3.06Å; L198-G200 PolarHBondContact O-N 3.22Å
199S89.2Confident91.5Very high52 Ų5213 Ų1336%0.36410%0.103SC..SBendtrans-62.6123.3-179-177.20000111.5G106 E196 R423G106-S199 WeakPolarHBondContact O-CA 3.4Å; E196-S199 WeakPolarHBondContact O-CB 3.32Å; E196-S199 PolarHBondContact O-N 3.16Å; E196-S199 VanDerWaalsContact O-N 3.17Å; S199-R423 PolarHBondContact O-NH1 2.82Å
200G83.2Confident91.4Very high36 Ų3613 Ų1337%0.37110%0.103SC..SBendtrans73.1114.3179.700000113.5G106 L198 R420 R423G106-G200 PolarHBondContact O-N 3.42Å; L198-G200 PolarHBondContact O-N 3.22Å; G200-R420 PolarHBondContact O-NH1 3.41Å; G200-R420 PolarHBondContact O-NH2 3.49Å; G200-R423 PolarHBondContact O-NH1 3.26Å; G200-R423 PolarHBondContact O-NH2 3.5Å
201G84.7Confident91Very high35 Ų3512.8 Ų12.836%0.36110%0.102SC..  trans-169.9178.1-179.300000112.3W109 E205W109-G201 WeakPolarHBondContact CB-O 3.36Å; W109-G201 VanDerWaalsContact CD1-N 3.3Å; G201-E205 WeakPolarHBondContact CA-OE1 3.4Å
202S86.4Confident90.7Very high21 Ų2112.9 Ų12.915%0.14710%0.104CC..  trans-104.1143.8173.9-178.20000110.6T204 E205S202-T204 WeakPolarHBondContact CB-OG1 3.45Å; S202-T204 PolarHBondContact O-N 3.2Å; S202-T204 PolarHBondContact OG-OG1 3.21Å; S202-E205 PolarHBondContact N-OE1 2.79Å; S202-E205 VanDerWaalsContact O-CB 3.3Å; S202-E205 WeakPolarHBondContact O-CB 3.41Å; S202-E205 PolarHBondContact O-N 2.83Å
203T89.7Confident90.5Very high3 Ų312.3 Ų12.32%0.01810%0.101CC..Hα-helixtrans-58.1-35178.4-270000111.2W109 A112 A113 E205 G206 F207 E342W109-T203 WeakPolarHBondContact O-CG2 3.47Å; A112-T203 HydrophobicContact CB-CG2 3.86Å; A113-T203 HydrophobicContact CB-CG2 4.15Å; T203-E205 PolarHBondContact O-N 3.48Å; T203-G206 PolarHBondContact O-N 2.86Å; T203-F207 HydrophobicContact CG2-CD1 4.5Å; T203-F207 HydrophobicContact CG2-CD2 4.43Å; T203-F207 HydrophobicContact CG2-CE1 3.84Å; T203-F207 HydrophobicContact CG2-CE2 3.75Å; T203-F207 HydrophobicContact CG2-CZ 3.4Å; T203-F207 VanDerWaalsContact CG2-CZ 3.4Å; T203-F207 WeakPolarHBondContact O-CG 3.21Å; T203-F207 PolarHBondContact O-N 3.15Å; T203-E342 WeakPolarHBondContact CB-OE2 3.32Å; T203-E342 PolarHBondContact N-OE2 3.46Å; T203-E342 PolarHBondContact OG1-OE2 2.85Å
204T90.3Very high90.1Very high20 Ų2010.4 Ų10.412%0.1238%0.08CC..Hα-helixtrans-53.2-34.1173.156.80000113.8S202 G206 F207 E208 S215 E342S202-T204 WeakPolarHBondContact CB-OG1 3.45Å; S202-T204 PolarHBondContact O-N 3.2Å; S202-T204 PolarHBondContact OG-OG1 3.21Å; T204-G206 VanDerWaalsContact C-N 3.33Å; T204-G206 PolarHBondContact O-N 2.67Å; T204-F207 PolarHBondContact O-N 2.98Å; T204-E208 WeakPolarHBondContact O-CB 3.49Å; T204-E208 VanDerWaalsContact O-CD 3.24Å; T204-E208 WeakPolarHBondContact O-CG 3.41Å; T204-E208 PolarHBondContact O-N 3.33Å; T204-S215 WeakPolarHBondContact CB-OG 3.25Å; T204-E342 HydrophobicContact CG2-CB 3.72Å; T204-E342 HydrophobicContact CG2-CG 3.67Å; T204-E342 PolarHBondContact N-OE2 2.83Å
205E91.7Very high89.8Confident11 Ų1110.2 Ų10.25%0.0518%0.079CC..Hα-helixtrans-64.1-42.3177.6-62.5-179.9-124.900111W109 G201 S202 T203 D209 R420 R472W109-E205 HydrophobicContact CE3-CB 4.17Å; W109-E205 HydrophobicContact CH2-CB 4.2Å; W109-E205 HydrophobicContact CZ3-CB 3.6Å; G201-E205 WeakPolarHBondContact CA-OE1 3.4Å; S202-E205 PolarHBondContact N-OE1 2.79Å; S202-E205 VanDerWaalsContact O-CB 3.3Å; S202-E205 WeakPolarHBondContact O-CB 3.41Å; S202-E205 PolarHBondContact O-N 2.83Å; T203-E205 PolarHBondContact O-N 3.48Å; E205-D209 WeakPolarHBondContact O-CB 3.33Å; E205-D209 PolarHBondContact O-N 3.23Å; E205-D209 VanDerWaalsContact O-N 3.09Å; E205-R420 IonicContact OE1-NH2 3.68Å; E205-R420 PolarHBondContact OE1-NH2 3.08Å; E205-R420 IonicContact OE2-CZ 2.62Å; E205-R420 VanDerWaalsContact OE2-CZ 3.23Å; E205-R420 IonicContact OE2-NE 3.39Å; E205-R420 PolarHBondContact OE2-NE 2.72Å; E205-R420 IonicContact OE2-NH2 2.64Å; E205-R420 PolarHBondContact OE2-NH2 3.34Å; E205-R472 HydrophobicContact CG-CB 3.93Å; E205-R472 PolarHBondContact O-NH1 3.27Å; E205-R472 PolarHBondContact O-NH2 2.8Å
206G92.4Very high89.4Confident0 Ų010.8 Ų10.80%08%0.081CC..Hα-helixtrans-69.5-43.8177.800000110.9T203 T204 E208 D209 F210T203-G206 PolarHBondContact O-N 2.86Å; T204-G206 VanDerWaalsContact C-N 3.33Å; T204-G206 PolarHBondContact O-N 2.67Å; G206-E208 PolarHBondContact O-N 3.13Å; G206-D209 PolarHBondContact O-N 2.94Å; G206-F210 WeakPolarHBondContact O-CB 3.3Å; G206-F210 WeakPolarHBondContact O-CD2 3.39Å; G206-F210 WeakPolarHBondContact O-CG 2.65Å; G206-F210 PolarHBondContact O-N 3.4Å
207F92.8Very high89.1Confident0 Ų013.8 Ų13.80%010%0.097CC..Hα-helixtrans-58.9-47.1177.4-62.2-33.3000112.5A113 T203 T204 D209 F210 T211 L240 L241 E342 C344A113-F207 HydrophobicContact CB-CD1 3.74Å; A113-F207 HydrophobicContact CB-CE1 3.93Å; T203-F207 HydrophobicContact CG2-CD1 4.5Å; T203-F207 HydrophobicContact CG2-CD2 4.43Å; T203-F207 HydrophobicContact CG2-CE1 3.84Å; T203-F207 HydrophobicContact CG2-CE2 3.75Å; T203-F207 HydrophobicContact CG2-CZ 3.4Å; T203-F207 VanDerWaalsContact CG2-CZ 3.4Å; T203-F207 WeakPolarHBondContact O-CG 3.21Å; T203-F207 PolarHBondContact O-N 3.15Å; T204-F207 PolarHBondContact O-N 2.98Å; F207-D209 VanDerWaalsContact C-N 3.32Å; F207-D209 PolarHBondContact O-N 2.89Å; F207-F210 PolarHBondContact O-N 3.05Å; F207-T211 WeakPolarHBondContact O-CB 3.36Å; F207-T211 WeakPolarHBondContact O-CG2 3.32Å; F207-T211 PolarHBondContact O-N 2.96Å; F207-T211 PolarHBondContact O-OG1 3.23Å; F207-L240 HydrophobicContact CB-CB 4.41Å; F207-L240 HydrophobicContact CB-CD1 4.3Å; F207-L240 HydrophobicContact CD1-CB 3.45Å; F207-L240 VanDerWaalsContact CD1-CB 3.45Å; F207-L240 HydrophobicContact CD1-CD1 3.63Å; F207-L240 HydrophobicContact CD1-CG 4.2Å; F207-L240 HydrophobicContact CD2-CB 4.36Å; F207-L240 HydrophobicContact CE1-CB 3.6Å; F207-L240 HydrophobicContact CE1-CD1 4.33Å; F207-L240 HydrophobicContact CG-CB 3.86Å; F207-L240 HydrophobicContact CG-CD1 4.29Å; F207-L240 HydrophobicContact CZ-CB 4.17Å; F207-L241 VanDerWaalsContact CZ-C 3.46Å; F207-E342 HydrophobicContact CE2-CB 4.45Å; F207-C344 HydrophobicContact CB-CB 3.37Å; F207-C344 HydrophobicContact CD2-CB 3.82Å; F207-C344 HydrophobicContact CG-CB 3.85Å
208E92.6Very high88.9Confident2 Ų215.8 Ų15.81%0.00910%0.104CC..Hα-helixtrans-60.9-41.9176-77.3153.6-159.500111.6W147 T204 G206 F210 T211 G212 S215 M415 R472W147-E208 HydrophobicContact CZ3-CB 4.48Å; T204-E208 WeakPolarHBondContact O-CB 3.49Å; T204-E208 VanDerWaalsContact O-CD 3.24Å; T204-E208 WeakPolarHBondContact O-CG 3.41Å; T204-E208 PolarHBondContact O-N 3.33Å; G206-E208 PolarHBondContact O-N 3.13Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 PolarHBondContact O-N 3.32Å; E208-T211 PolarHBondContact O-N 3.45Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 2.78Å; E208-S215 VanDerWaalsContact OE1-CB 3.31Å; E208-S215 WeakPolarHBondContact OE1-CB 3.41Å; E208-S215 PolarHBondContact OE1-OG 2.98Å; E208-M415 HydrophobicContact CB-CE 4.38Å; E208-M415 HydrophobicContact CG-CE 4.23Å; E208-M415 WeakPolarHBondContact OE2-CE 3.26Å; E208-R472 VanDerWaalsContact CB-NH2 3.3Å; E208-R472 IonicContact OE2-CZ 3.98Å; E208-R472 IonicContact OE2-NE 2.63Å; E208-R472 IonicContact OE2-NH2 2.75Å; E208-R472 PolarHBondContact OE2-NH2 2.87Å
209D94.1Very high88.8Confident1 Ų120.2 Ų20.21%0.00513%0.125CC..Hα-helixtrans-74.2-20.8-178.1-69.56.4000113.1F146 W147 Q148 Y188 E205 G206 F207 R472F146-D209 CarbonylContact C-O 3.52Å; F146-D209 WeakPolarHBondContact CA-O 3.22Å; W147-D209 PolarHBondContact N-O 3.49Å; W147-D209 VanDerWaalsContact O-CA 3.3Å; W147-D209 WeakPolarHBondContact O-CA 3.41Å; Q148-D209 PolarHBondContact NE2-OD2 3.16Å; Y188-D209 HydrophobicContact CE2-CB 3.93Å; Y188-D209 WeakPolarHBondContact CE2-OD2 3.32Å; Y188-D209 PolarHBondContact OH-OD2 3.12Å; E205-D209 WeakPolarHBondContact O-CB 3.33Å; E205-D209 PolarHBondContact O-N 3.23Å; E205-D209 VanDerWaalsContact O-N 3.09Å; G206-D209 PolarHBondContact O-N 2.94Å; F207-D209 VanDerWaalsContact C-N 3.32Å; F207-D209 PolarHBondContact O-N 2.89Å; D209-R472 IonicContact OD1-CZ 2.72Å; D209-R472 IonicContact OD1-NH1 3.55Å; D209-R472 PolarHBondContact OD1-NH1 2.88Å; D209-R472 IonicContact OD1-NH2 3.16Å; D209-R472 PolarHBondContact OD1-NH2 3.4Å; D209-R472 IonicContact OD2-CZ 3.5Å; D209-R472 IonicContact OD2-NH1 3.55Å; D209-R472 PolarHBondContact OD2-NH1 3.4Å
210F92.4Very high89Confident1 Ų118 Ų180%0.00411%0.109CC..Hα-helixtrans-92.2-16.7175.4-61.4-25.4000113.7L110 A113 I114 L117 V127 F146 G206 F207 E208L110-F210 HydrophobicContact CD1-CE1 4.33Å; L110-F210 HydrophobicContact CD1-CE2 4.19Å; L110-F210 HydrophobicContact CD1-CZ 3.51Å; A113-F210 HydrophobicContact CB-CD2 4Å; A113-F210 HydrophobicContact CB-CE2 3.64Å; I114-F210 HydrophobicContact CB-CE2 4.36Å; I114-F210 HydrophobicContact CD1-CZ 4.3Å; I114-F210 HydrophobicContact CG1-CE2 3.52Å; I114-F210 HydrophobicContact CG1-CZ 3.51Å; L117-F210 HydrophobicContact CB-CD2 4.47Å; L117-F210 HydrophobicContact CD1-CB 4.12Å; L117-F210 HydrophobicContact CD2-CB 4.17Å; L117-F210 HydrophobicContact CD2-CD2 4.13Å; L117-F210 HydrophobicContact CD2-CG 4.07Å; V127-F210 HydrophobicContact CG1-CD1 4.06Å; V127-F210 HydrophobicContact CG1-CE1 4.47Å; V127-F210 HydrophobicContact CG2-CB 3.9Å; V127-F210 HydrophobicContact CG2-CD1 4.21Å; V127-F210 HydrophobicContact CG2-CG 4.36Å; V127-F210 VanDerWaalsContact CG2-O 3.24Å; V127-F210 WeakPolarHBondContact CG2-O 3.43Å; F146-F210 HydrophobicContact CD1-CD1 4.04Å; F146-F210 AromaticContact CD1-CE1 3.89Å; F146-F210 HydrophobicContact CD1-CE1 3.89Å; F146-F210 HydrophobicContact CE1-CD1 4.29Å; F146-F210 AromaticContact CE1-CE1 3.78Å; F146-F210 HydrophobicContact CE1-CE1 3.78Å; G206-F210 WeakPolarHBondContact O-CB 3.3Å; G206-F210 WeakPolarHBondContact O-CD2 3.39Å; G206-F210 WeakPolarHBondContact O-CG 2.65Å; G206-F210 PolarHBondContact O-N 3.4Å; F207-F210 PolarHBondContact O-N 3.05Å; E208-F210 VanDerWaalsContact C-N 3.29Å; E208-F210 PolarHBondContact O-N 3.32Å
211T88.8Confident89.3Confident1 Ų126 Ų261%0.00613%0.128CC..Hα-helixtrans-126.9-25.6-171.265.50000114.3L123 F207 E208 G213 L240 L346 V350L123-T211 HydrophobicContact CD1-CG2 3.85Å; L123-T211 HydrophobicContact CD2-CG2 4.02Å; F207-T211 WeakPolarHBondContact O-CB 3.36Å; F207-T211 WeakPolarHBondContact O-CG2 3.32Å; F207-T211 PolarHBondContact O-N 2.96Å; F207-T211 PolarHBondContact O-OG1 3.23Å; E208-T211 PolarHBondContact O-N 3.45Å; T211-G213 PolarHBondContact O-N 3.3Å; T211-G213 WeakPolarHBondContact OG1-CA 2.83Å; T211-G213 PolarHBondContact OG1-N 2.77Å; T211-L240 HydrophobicContact CG2-CD1 3.46Å; T211-L240 VanDerWaalsContact CG2-CD1 3.46Å; T211-L240 HydrophobicContact CG2-CG 4.1Å; T211-L346 HydrophobicContact CG2-CD2 3.76Å; T211-V350 WeakPolarHBondContact O-CG2 3.44Å
212G87.9Confident89.5Confident5 Ų531.9 Ų31.95%0.05214%0.143CC..  trans66.18-16300000114.3W147 E208 R503W147-G212 VanDerWaalsContact CD1-CA 3.42Å; E208-G212 WeakPolarHBondContact O-CA 3.44Å; E208-G212 PolarHBondContact O-N 2.78Å; G212-R503 PolarHBondContact O-NH1 3.4Å
213G86.9Confident89.5Confident0 Ų032.3 Ų32.30%015%0.148CC..  trans-70.5-175.1179.300000113.4T211 N345 R503T211-G213 PolarHBondContact O-N 3.3Å; T211-G213 WeakPolarHBondContact OG1-CA 2.83Å; T211-G213 PolarHBondContact OG1-N 2.77Å; G213-N345 CarbonylContact C-O 3.19Å; G213-N345 WeakPolarHBondContact CA-O 3.34Å; G213-R503 PolarHBondContact O-NH1 3.45Å; G213-R503 PolarHBondContact O-NH2 3.11Å
214V84.4Confident89.2Confident4 Ų434.5 Ų34.52%0.02416%0.162CC..EExtended strand (participates in β ladder)trans-121.4130.8179.363.70000110.7C344 N345 L411 A413 F505V214-C344 CarbonylContact O-C 3.19Å; V214-C344 WeakPolarHBondContact O-CA 3.5Å; V214-N345 HydrophobicContact CG1-CB 4.37Å; V214-N345 PolarHBondContact N-O 3.33Å; V214-N345 PolarHBondContact O-N 2.61Å; V214-L411 HydrophobicContact CB-CD2 4.03Å; V214-L411 HydrophobicContact CG1-CD2 3.49Å; V214-L411 VanDerWaalsContact CG1-CD2 3.49Å; V214-L411 HydrophobicContact CG2-CD2 3.36Å; V214-L411 HydrophobicContact CG2-CG 4.16Å; V214-A413 HydrophobicContact CG2-CB 3.85Å; V214-F505 HydrophobicContact CB-CD2 4.17Å; V214-F505 HydrophobicContact CB-CE1 4.21Å; V214-F505 HydrophobicContact CB-CE2 3.54Å; V214-F505 HydrophobicContact CB-CZ 3.57Å; V214-F505 HydrophobicContact CG1-CD1 4.35Å; V214-F505 HydrophobicContact CG1-CD2 4.17Å; V214-F505 HydrophobicContact CG1-CE1 4.2Å; V214-F505 HydrophobicContact CG1-CE2 4.01Å; V214-F505 HydrophobicContact CG1-CG 4.35Å; V214-F505 HydrophobicContact CG1-CZ 4.03Å; V214-F505 HydrophobicContact CG2-CD2 3.96Å; V214-F505 HydrophobicContact CG2-CE2 3.42Å; V214-F505 VanDerWaalsContact CG2-CE2 3.42Å; V214-F505 HydrophobicContact CG2-CZ 3.99Å
215S87.5Confident88.8Confident3 Ų344.1 Ų44.12%0.02120%0.202CC..EExtended strand (participates in β ladder)trans-91.6138.6-177.5-54.10000111.3T204 E208 I343 S475T204-S215 WeakPolarHBondContact CB-OG 3.25Å; E208-S215 VanDerWaalsContact OE1-CB 3.31Å; E208-S215 WeakPolarHBondContact OE1-CB 3.41Å; E208-S215 PolarHBondContact OE1-OG 2.98Å; S215-I343 CarbonylContact C-O 3.47Å; S215-I343 WeakPolarHBondContact CA-O 3.48Å; S215-S475 WeakPolarHBondContact O-CB 2.93Å; S215-S475 PolarHBondContact O-OG 2.89Å
216E85.7Confident88.3Confident13 Ų1346.5 Ų46.56%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-117.5145.5167.1-69.5-178.1-106.700109.3Y218 E342 I343 N345 L411 R477E216-Y218 HydrophobicContact CB-CE2 4.12Å; E216-E342 WeakPolarHBondContact O-CA 3.13Å; E216-I343 PolarHBondContact N-O 2.98Å; E216-I343 PolarHBondContact O-N 2.96Å; E216-N345 PolarHBondContact OE1-ND2 2.78Å; E216-L411 HydrophobicContact CG-CD1 4.07Å; E216-L411 HydrophobicContact CG-CD2 4.19Å; E216-R477 IonicContact OE1-CZ 3.49Å; E216-R477 IonicContact OE1-NE 3.78Å; E216-R477 IonicContact OE1-NH2 3.93Å; E216-R477 PolarHBondContact OE1-NH2 3.49Å; E216-R477 IonicContact OE2-CZ 2.78Å; E216-R477 IonicContact OE2-NE 3.15Å; E216-R477 PolarHBondContact OE2-NE 3.38Å; E216-R477 IonicContact OE2-NH2 3.33Å; E216-R477 PolarHBondContact OE2-NH2 2.81Å
217M87.1Confident88.1Confident80 Ų8046.6 Ų46.639%0.39422%0.216SC..EExtended strand (participates in β ladder)trans-124.1129.9-175.8-169-179.4-163.800110.6R340 L341 E342M217-R340 HydrophobicContact CE-CB 3.92Å; M217-R340 HydrophobicContact CE-CG 3.64Å; M217-L341 WeakPolarHBondContact CA-O 3.48Å; M217-E342 HydrophobicContact CG-CG 4.4Å
218Y88Confident87.9Confident43 Ų4348 Ų4817%0.16922%0.222CC..EExtended strand (participates in β ladder)trans-117123.7179.6-62.7-89000110.8E216 L220 P224 L227 R340 L341 I343E216-Y218 HydrophobicContact CB-CE2 4.12Å; Y218-L220 PolarHBondContact O-N 3.16Å; Y218-P224 HydrophobicContact CD1-CG 4.28Å; Y218-P224 HydrophobicContact CE1-CG 4.31Å; Y218-L227 HydrophobicContact CD1-CD1 4.26Å; Y218-L227 HydrophobicContact CG-CD1 4.2Å; Y218-R340 WeakPolarHBondContact O-CA 3.26Å; Y218-L341 HydrophobicContact CD2-CD2 4.23Å; Y218-L341 PolarHBondContact N-O 3.08Å; Y218-L341 PolarHBondContact O-N 2.91Å; Y218-I343 HydrophobicContact CD2-CD1 4.22Å; Y218-I343 HydrophobicContact CD2-CG1 4.36Å; Y218-I343 HydrophobicContact CE2-CD1 3.77Å; Y218-I343 HydrophobicContact CE2-CG1 4.16Å
219E90Very high87.4Confident94 Ų9454 Ų5444%0.43924%0.244SC..EExtended strand (participates in β ladder)trans-76.6109.5168-171.4-173172.400109.2R221 K222 A223E219-R221 HydrophobicContact CG-CB 4.5Å; E219-R221 PolarHBondContact O-N 2.95Å; E219-R221 VanDerWaalsContact O-N 3.13Å; E219-K222 CarbonylContact O-C 3.52Å; E219-K222 PolarHBondContact O-N 3.46Å; E219-K222 IonicContact OE1-NZ 3.77Å; E219-K222 WeakPolarHBondContact OE2-CE 3.39Å; E219-K222 IonicContact OE2-NZ 3.95Å; E219-K222 PolarHBondContact OE2-NZ 2.87Å; E219-A223 PolarHBondContact O-N 2.95Å; E219-A223 VanDerWaalsContact O-N 3.11Å
220L92.8Very high86.9Confident6 Ų655.9 Ų55.93%0.03125%0.254CS..G310 helixtrans-64.8-24.3-170.3-66.7179.1000113.6Y218 K222 A223 L227 F334 L335 F338 S339 L341Y218-L220 PolarHBondContact O-N 3.16Å; L220-K222 PolarHBondContact O-N 3.12Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 3.48Å; L220-L227 HydrophobicContact CD2-CD2 3.57Å; L220-F334 HydrophobicContact CD1-CD1 4.48Å; L220-F334 HydrophobicContact CD1-CE1 3.78Å; L220-F334 HydrophobicContact CD1-CE2 4.04Å; L220-F334 HydrophobicContact CD1-CZ 3.53Å; L220-F334 HydrophobicContact CD2-CE1 3.89Å; L220-F334 HydrophobicContact CD2-CZ 4.2Å; L220-L335 HydrophobicContact CB-CD2 4.36Å; L220-L335 HydrophobicContact CD2-CD2 4.01Å; L220-F338 HydrophobicContact CD1-CB 3.44Å; L220-F338 VanDerWaalsContact CD1-CB 3.44Å; L220-S339 PolarHBondContact N-O 3.36Å; L220-L341 HydrophobicContact CD2-CB 3.77Å; L220-L341 HydrophobicContact CG-CB 4.3Å
221R89.9Confident86.7Confident204 Ų20455.9 Ų55.977%0.7725%0.254SS*.G310 helixtrans-67.9-23.8173.9-66.4-175.9179.7-178.13.6113.5E219E219-R221 HydrophobicContact CG-CB 4.5Å; E219-R221 PolarHBondContact O-N 2.95Å; E219-R221 VanDerWaalsContact O-N 3.13Å
222K88.7Confident86.5Confident158 Ų15857.3 Ų57.369%0.68726%0.264SS*.G310 helixtrans-120.726.9177.6-58.2-178.2-164.1130.80110.9E219 L220E219-K222 CarbonylContact O-C 3.52Å; E219-K222 PolarHBondContact O-N 3.46Å; E219-K222 IonicContact OE1-NZ 3.77Å; E219-K222 WeakPolarHBondContact OE2-CE 3.39Å; E219-K222 IonicContact OE2-NZ 3.95Å; E219-K222 PolarHBondContact OE2-NZ 2.87Å; L220-K222 PolarHBondContact O-N 3.12Å
223A86.4Confident86Confident29 Ų2961.4 Ų61.424%0.2428%0.28CS..  trans-55.2141.6-177.300000111.8E219 L220 L227 L335E219-A223 PolarHBondContact O-N 2.95Å; E219-A223 VanDerWaalsContact O-N 3.11Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 3.48Å; A223-L227 HydrophobicContact CB-CB 4.41Å; A223-L227 HydrophobicContact CB-CD2 3.58Å; A223-L335 HydrophobicContact CB-CD2 4.22Å
224P83Confident85.8Confident49 Ų4961.6 Ų61.632%0.31828%0.282SS..  trans-62.3150.2171.128-33.7000110.4Y218 D226 L227 I230Y218-P224 HydrophobicContact CD1-CG 4.28Å; Y218-P224 HydrophobicContact CE1-CG 4.31Å; P224-D226 PolarHBondContact O-N 2.8Å; P224-L227 HydrophobicContact CG-CB 4.13Å; P224-L227 HydrophobicContact CG-CD1 4.29Å; P224-L227 VanDerWaalsContact O-CB 3.31Å; P224-L227 WeakPolarHBondContact O-CB 2.9Å; P224-L227 PolarHBondContact O-N 3.32Å; P224-L227 VanDerWaalsContact O-N 3.1Å; P224-I230 HydrophobicContact CG-CD1 3.94Å
225K82.3Confident85.7Confident222 Ų22263.4 Ų63.497%0.96529%0.291SS*.THydrogen-bonded Turntrans-62.1-27.8-175.7-70.4-177-179.2174.70113
226D81Confident85.3Confident62 Ų6270.2 Ų70.233%0.33232%0.323SS..THydrogen-bonded Turntrans-97.116.2-179.769.4-34.6000113.4P224 Y228 R229 I230P224-D226 PolarHBondContact O-N 2.8Å; D226-Y228 PolarHBondContact O-N 3.36Å; D226-Y228 VanDerWaalsContact O-N 3.1Å; D226-R229 WeakPolarHBondContact O-CA 3.27Å; D226-R229 WeakPolarHBondContact O-CB 3.22Å; D226-R229 PolarHBondContact O-N 3.22Å; D226-R229 IonicContact OD2-CZ 2.74Å; D226-R229 IonicContact OD2-NE 2.92Å; D226-R229 IonicContact OD2-NH2 3.24Å; D226-R229 PolarHBondContact OD2-NH2 3Å; D226-I230 PolarHBondContact O-N 3.02Å; D226-I230 VanDerWaalsContact O-N 3.09Å
227L88.4Confident84.8Confident2 Ų274.7 Ų74.71%0.0134%0.339CS..Hα-helixtrans-51.6-38.3-179.9-175.762.7000113.6Y218 L220 A223 P224 R229 I230 I231 F331 L335 L341Y218-L227 HydrophobicContact CD1-CD1 4.26Å; Y218-L227 HydrophobicContact CG-CD1 4.2Å; L220-L227 HydrophobicContact CD2-CD2 3.57Å; A223-L227 HydrophobicContact CB-CB 4.41Å; A223-L227 HydrophobicContact CB-CD2 3.58Å; P224-L227 HydrophobicContact CG-CB 4.13Å; P224-L227 HydrophobicContact CG-CD1 4.29Å; P224-L227 VanDerWaalsContact O-CB 3.31Å; P224-L227 WeakPolarHBondContact O-CB 2.9Å; P224-L227 PolarHBondContact O-N 3.32Å; P224-L227 VanDerWaalsContact O-N 3.1Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.29Å; L227-I230 HydrophobicContact CD1-CB 4.49Å; L227-I230 WeakPolarHBondContact O-CB 3.31Å; L227-I230 PolarHBondContact O-N 2.75Å; L227-I231 HydrophobicContact CD1-CD1 4.42Å; L227-I231 HydrophobicContact CD1-CG1 4.35Å; L227-I231 HydrophobicContact CG-CD1 4.01Å; L227-I231 HydrophobicContact CG-CG1 4.39Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 3.08Å; L227-F331 HydrophobicContact CB-CZ 4.43Å; L227-F331 HydrophobicContact CD2-CZ 4.34Å; L227-F331 HydrophobicContact CG-CZ 4.31Å; L227-L335 HydrophobicContact CD2-CD2 4.05Å; L227-L341 HydrophobicContact CD1-CD2 3.83Å; L227-L341 HydrophobicContact CD2-CD2 4.37Å; L227-L341 HydrophobicContact CG-CD2 4.41Å
228Y88.7Confident84.4Confident30 Ų3071.8 Ų71.812%0.11833%0.33CS..Hα-helixtrans-58.5-41.9176.3-175.7-92.2000112.2D226 I231 S232 L272 K273 R283 F331D226-Y228 PolarHBondContact O-N 3.36Å; D226-Y228 VanDerWaalsContact O-N 3.1Å; Y228-I231 PolarHBondContact O-N 2.92Å; Y228-S232 PolarHBondContact O-N 3.4Å; Y228-L272 HydrophobicContact CD2-CD1 4.12Å; Y228-L272 HydrophobicContact CD2-CD2 4.24Å; Y228-L272 HydrophobicContact CE2-CB 4.44Å; Y228-L272 HydrophobicContact CE2-CD1 3.94Å; Y228-L272 HydrophobicContact CE2-CD2 3.81Å; Y228-L272 HydrophobicContact CE2-CG 4.31Å; Y228-K273 PolarHBondContact OH-O 3.16Å; Y228-R283 HydrophobicContact CD2-CB 4.11Å; Y228-R283 HydrophobicContact CD2-CG 4.29Å; Y228-R283 HydrophobicContact CE1-CG 4.21Å; Y228-R283 HydrophobicContact CE2-CB 3.57Å; Y228-R283 HydrophobicContact CE2-CG 3.8Å; Y228-F331 HydrophobicContact CD2-CB 4.44Å; Y228-F331 HydrophobicContact CD2-CD1 4.14Å; Y228-F331 AromaticContact CD2-CD2 3.83Å; Y228-F331 HydrophobicContact CD2-CD2 3.83Å; Y228-F331 HydrophobicContact CD2-CE1 4.35Å; Y228-F331 HydrophobicContact CD2-CE2 4.07Å; Y228-F331 AromaticContact CD2-CG 3.87Å; Y228-F331 HydrophobicContact CD2-CG 3.87Å; Y228-F331 HydrophobicContact CD2-CZ 4.31Å; Y228-F331 HydrophobicContact CE2-CD2 4.49Å
229R80.9Confident84.3Confident126 Ų12670.2 Ų70.248%0.47533%0.325SS..Hα-helixtrans-69-38.1177.2-175.3178.767.2162.40.6111D226 L227 S232 K233D226-R229 WeakPolarHBondContact O-CA 3.27Å; D226-R229 WeakPolarHBondContact O-CB 3.22Å; D226-R229 PolarHBondContact O-N 3.22Å; D226-R229 IonicContact OD2-CZ 2.74Å; D226-R229 IonicContact OD2-NE 2.92Å; D226-R229 IonicContact OD2-NH2 3.24Å; D226-R229 PolarHBondContact OD2-NH2 3Å; L227-R229 VanDerWaalsContact C-N 3.29Å; L227-R229 PolarHBondContact O-N 3.29Å; R229-S232 PolarHBondContact O-N 3.39Å; R229-K233 WeakPolarHBondContact O-CB 3.21Å; R229-K233 WeakPolarHBondContact O-CG 3.45Å; R229-K233 PolarHBondContact O-N 3.2Å
230I83.3Confident84.3Confident42 Ų4265.9 Ų65.922%0.21531%0.305CS..Hα-helixtrans-59.8-49.2175.2-64.9171.7000110.2P224 D226 L227 K233 A234 I343P224-I230 HydrophobicContact CG-CD1 3.94Å; D226-I230 PolarHBondContact O-N 3.02Å; D226-I230 VanDerWaalsContact O-N 3.09Å; L227-I230 HydrophobicContact CD1-CB 4.49Å; L227-I230 WeakPolarHBondContact O-CB 3.31Å; L227-I230 PolarHBondContact O-N 2.75Å; I230-K233 PolarHBondContact O-N 3.45Å; I230-A234 WeakPolarHBondContact O-CB 3.42Å; I230-A234 PolarHBondContact O-N 3.05Å; I230-I343 HydrophobicContact CG2-CD1 4.01Å
231I89.4Confident84.3Confident0 Ų065.7 Ų65.70%030%0.304CS..Hα-helixtrans-62.7-43.9178.1-65.7170000111.2L227 Y228 K233 A234 L235 L241 V269 L272 F331 L341L227-I231 HydrophobicContact CD1-CD1 4.42Å; L227-I231 HydrophobicContact CD1-CG1 4.35Å; L227-I231 HydrophobicContact CG-CD1 4.01Å; L227-I231 HydrophobicContact CG-CG1 4.39Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 3.08Å; Y228-I231 PolarHBondContact O-N 2.92Å; I231-K233 PolarHBondContact O-N 3.35Å; I231-A234 PolarHBondContact O-N 3.3Å; I231-L235 HydrophobicContact CG2-CD1 3.98Å; I231-L235 HydrophobicContact CG2-CG 4.46Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 3.02Å; I231-L241 HydrophobicContact CB-CD2 4.27Å; I231-L241 HydrophobicContact CG1-CD2 4.33Å; I231-L241 HydrophobicContact CG2-CD2 3.59Å; I231-V269 HydrophobicContact CG2-CG1 4.39Å; I231-L272 HydrophobicContact CB-CD1 3.71Å; I231-L272 HydrophobicContact CG2-CD1 3.33Å; I231-L272 HydrophobicContact CG2-CD2 4.16Å; I231-L272 HydrophobicContact CG2-CG 3.71Å; I231-F331 HydrophobicContact CD1-CE2 3.82Å; I231-F331 HydrophobicContact CD1-CZ 4.23Å; I231-L341 HydrophobicContact CD1-CD1 4.44Å; I231-L341 HydrophobicContact CD1-CD2 3.65Å; I231-L341 HydrophobicContact CG1-CD2 3.69Å
232S83.9Confident84.5Confident32 Ų3256 Ų5622%0.22427%0.267CS..Hα-helixtrans-58.1-51178.5-164.70000111Y228 R229 A234 L235 E236Y228-S232 PolarHBondContact O-N 3.4Å; R229-S232 PolarHBondContact O-N 3.39Å; S232-A234 VanDerWaalsContact C-N 3.29Å; S232-A234 PolarHBondContact O-N 3.2Å; S232-L235 PolarHBondContact O-N 3.32Å; S232-E236 WeakPolarHBondContact O-CB 3.43Å; S232-E236 VanDerWaalsContact O-CG 3.29Å; S232-E236 WeakPolarHBondContact O-CG 3.37Å; S232-E236 PolarHBondContact O-N 3.3Å; S232-E236 PolarHBondContact OG-OE1 3.21Å
233K77Confident84.8Confident90 Ų9048.4 Ų48.439%0.39123%0.234SC..Hα-helixtrans-61.7-37.2177.6-73.4-176.2176-174.60112.2R229 I230 I231 R237R229-K233 WeakPolarHBondContact O-CB 3.21Å; R229-K233 WeakPolarHBondContact O-CG 3.45Å; R229-K233 PolarHBondContact O-N 3.2Å; I230-K233 PolarHBondContact O-N 3.45Å; I231-K233 PolarHBondContact O-N 3.35Å; K233-R237 WeakPolarHBondContact O-CB 3.49Å; K233-R237 VanDerWaalsContact O-CD 3.3Å; K233-R237 WeakPolarHBondContact O-CD 3.44Å; K233-R237 WeakPolarHBondContact O-CG 3.23Å; K233-R237 PolarHBondContact O-N 3.36Å; K233-R237 VanDerWaalsContact O-N 3.1Å
234A82.4Confident85.2Confident4 Ų447.9 Ų47.93%0.03323%0.229CC..Hα-helixtrans-65.1-47177.900000111.3I230 I231 S232 R237 G238 S239 L241 I343I230-A234 WeakPolarHBondContact O-CB 3.42Å; I230-A234 PolarHBondContact O-N 3.05Å; I231-A234 PolarHBondContact O-N 3.3Å; S232-A234 VanDerWaalsContact C-N 3.29Å; S232-A234 PolarHBondContact O-N 3.2Å; A234-R237 PolarHBondContact O-N 3.44Å; A234-G238 PolarHBondContact O-N 3.46Å; A234-S239 VanDerWaalsContact O-CB 3.24Å; A234-S239 WeakPolarHBondContact O-CB 3.07Å; A234-S239 PolarHBondContact O-N 2.94Å; A234-S239 PolarHBondContact O-OG 3.43Å; A234-L241 HydrophobicContact CB-CD1 3.98Å; A234-L241 HydrophobicContact CB-CD2 4.36Å; A234-I343 HydrophobicContact CB-CD1 4.38Å; A234-I343 HydrophobicContact CB-CG2 3.8Å
235L83.6Confident85.7Confident42 Ų4246.1 Ų46.122%0.2222%0.217CC..Hα-helixtrans-62.8-43.5176.3-71.4168.7000112.1I231 S232 R237 G238 L241 L272I231-L235 HydrophobicContact CG2-CD1 3.98Å; I231-L235 HydrophobicContact CG2-CG 4.46Å; I231-L235 WeakPolarHBondContact O-CG 3.46Å; I231-L235 PolarHBondContact O-N 3.02Å; S232-L235 PolarHBondContact O-N 3.32Å; L235-R237 PolarHBondContact O-N 2.98Å; L235-G238 PolarHBondContact O-N 3.38Å; L235-L241 HydrophobicContact CD2-CD1 3.89Å; L235-L241 HydrophobicContact CD2-CD2 4.33Å; L235-L241 HydrophobicContact CG-CD1 4.19Å; L235-L241 HydrophobicContact CG-CD2 4.16Å; L235-L272 HydrophobicContact CD1-CB 4.33Å; L235-L272 HydrophobicContact CD1-CD1 4.47Å; L235-L272 HydrophobicContact CD1-CG 3.95Å
236E78.4Confident85.9Confident146 Ų14638.9 Ų38.968%0.68219%0.188SC*.Hα-helixtrans-60.1-31.4175.9-73.7162.2-149.100112.7S232 G238S232-E236 WeakPolarHBondContact O-CB 3.43Å; S232-E236 VanDerWaalsContact O-CG 3.29Å; S232-E236 WeakPolarHBondContact O-CG 3.37Å; S232-E236 PolarHBondContact O-N 3.3Å; S232-E236 PolarHBondContact OG-OE1 3.21Å; E236-G238 VanDerWaalsContact C-N 3.29Å
237R75.4Confident86.2Confident107 Ų10738.8 Ų38.840%0.40419%0.187SC..THydrogen-bonded Turntrans-85.80.3176.8-68.9168.2-176.3-171.9-4.8113.4K233 A234 L235 S239K233-R237 WeakPolarHBondContact O-CB 3.49Å; K233-R237 VanDerWaalsContact O-CD 3.3Å; K233-R237 WeakPolarHBondContact O-CD 3.44Å; K233-R237 WeakPolarHBondContact O-CG 3.23Å; K233-R237 PolarHBondContact O-N 3.36Å; K233-R237 VanDerWaalsContact O-N 3.1Å; A234-R237 PolarHBondContact O-N 3.44Å; L235-R237 PolarHBondContact O-N 2.98Å; R237-S239 VanDerWaalsContact C-N 3.26Å; R237-S239 PolarHBondContact O-N 3.13Å
238G79.3Confident85.8Confident19 Ų1944.5 Ų44.520%0.19622%0.222CC..THydrogen-bonded Turntrans70.418.9-176.800000114.1N120 A234 L235 E236N120-G238 PolarHBondContact ND2-O 3.15Å; A234-G238 PolarHBondContact O-N 3.46Å; L235-G238 PolarHBondContact O-N 3.38Å; E236-G238 VanDerWaalsContact C-N 3.29Å
239S85.8Confident85.4Confident10 Ų1045.4 Ų45.47%0.0723%0.233CC..  trans-58.2149.6169.8-64.50000109.9A234 R237 L241 C344 N345A234-S239 VanDerWaalsContact O-CB 3.24Å; A234-S239 WeakPolarHBondContact O-CB 3.07Å; A234-S239 PolarHBondContact O-N 2.94Å; A234-S239 PolarHBondContact O-OG 3.43Å; R237-S239 VanDerWaalsContact C-N 3.26Å; R237-S239 PolarHBondContact O-N 3.13Å; S239-L241 WeakPolarHBondContact O-CD1 3.16Å; S239-C344 WeakPolarHBondContact CA-O 3.23Å; S239-C344 VanDerWaalsContact CB-O 3.22Å; S239-C344 WeakPolarHBondContact CB-O 3.43Å; S239-N345 PolarHBondContact OG-OD1 3.2Å
240L90.5Very high85.1Confident3 Ų343.5 Ų43.52%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-91.9128.1176.2-52.4-173.9000109.5S116 L117 L123 F207 T211 C344S116-L240 WeakPolarHBondContact O-CD2 3.18Å; L117-L240 HydrophobicContact CD1-CD1 4.49Å; L123-L240 HydrophobicContact CD1-CD2 4.21Å; F207-L240 HydrophobicContact CB-CB 4.41Å; F207-L240 HydrophobicContact CB-CD1 4.3Å; F207-L240 HydrophobicContact CD1-CB 3.45Å; F207-L240 VanDerWaalsContact CD1-CB 3.45Å; F207-L240 HydrophobicContact CD1-CD1 3.63Å; F207-L240 HydrophobicContact CD1-CG 4.2Å; F207-L240 HydrophobicContact CD2-CB 4.36Å; F207-L240 HydrophobicContact CE1-CB 3.6Å; F207-L240 HydrophobicContact CE1-CD1 4.33Å; F207-L240 HydrophobicContact CG-CB 3.86Å; F207-L240 HydrophobicContact CG-CD1 4.29Å; F207-L240 HydrophobicContact CZ-CB 4.17Å; T211-L240 HydrophobicContact CG2-CD1 3.46Å; T211-L240 VanDerWaalsContact CG2-CD1 3.46Å; T211-L240 HydrophobicContact CG2-CG 4.1Å; L240-C344 HydrophobicContact CB-CB 4.3Å; L240-C344 PolarHBondContact N-O 2.95Å; L240-C344 VanDerWaalsContact N-O 3.08Å; L240-C344 PolarHBondContact O-N 3.13Å
241L92.5Very high84.7Confident2 Ų250.9 Ų50.91%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-119.3136.2-176.9-7175.7000111.2S116 F207 I231 A234 L235 S239 V269 E342 I343S116-L241 PolarHBondContact OG-O 2.98Å; S116-L241 VanDerWaalsContact OG-O 3.13Å; F207-L241 VanDerWaalsContact CZ-C 3.46Å; I231-L241 HydrophobicContact CB-CD2 4.27Å; I231-L241 HydrophobicContact CG1-CD2 4.33Å; I231-L241 HydrophobicContact CG2-CD2 3.59Å; A234-L241 HydrophobicContact CB-CD1 3.98Å; A234-L241 HydrophobicContact CB-CD2 4.36Å; L235-L241 HydrophobicContact CD2-CD1 3.89Å; L235-L241 HydrophobicContact CD2-CD2 4.33Å; L235-L241 HydrophobicContact CG-CD1 4.19Å; L235-L241 HydrophobicContact CG-CD2 4.16Å; S239-L241 WeakPolarHBondContact O-CD1 3.16Å; L241-V269 HydrophobicContact CB-CB 3.77Å; L241-V269 HydrophobicContact CB-CG1 4.44Å; L241-V269 HydrophobicContact CB-CG2 4.48Å; L241-V269 HydrophobicContact CD2-CB 4.45Å; L241-V269 HydrophobicContact CD2-CG1 4.29Å; L241-V269 PolarHBondContact O-N 3.42Å; L241-V269 VanDerWaalsContact O-N 3.08Å; L241-E342 WeakPolarHBondContact CA-O 3.23Å; L241-I343 HydrophobicContact CD1-CG2 4.33Å; L241-I343 HydrophobicContact CD2-CD1 4.42Å; L241-I343 HydrophobicContact CD2-CG1 4.33Å; L241-I343 HydrophobicContact CG-CG1 4.13Å; L241-I343 HydrophobicContact CG-CG2 4.22Å
242G94.4Very high84.2Confident0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-132.8156.4175.100000111.1Y267 L341 E342G242-Y267 CarbonylContact C-O 3.51Å; G242-Y267 WeakPolarHBondContact CA-O 3.44Å; G242-L341 WeakPolarHBondContact O-CD1 3.49Å; G242-E342 PolarHBondContact N-O 3.45Å; G242-E342 PolarHBondContact O-N 3.24Å
243C94.8Very high83.9Confident0 Ų056.8 Ų56.80%030%0.302CS..EExtended strand (participates in β ladder)trans-143.7157.4174.262.50000111.1Y267 V269 F334 F338 R340 L341C243-Y267 PolarHBondContact N-O 2.78Å; C243-Y267 PolarHBondContact O-N 2.89Å; C243-V269 HydrophobicContact CB-CG2 4.17Å; C243-F334 HydrophobicContact CB-CE2 3.88Å; C243-F334 HydrophobicContact CB-CZ 4.18Å; C243-F338 HydrophobicContact CB-CD1 3.92Å; C243-F338 HydrophobicContact CB-CE1 4.36Å; C243-F338 WeakPolarHBondContact SG-CE1 3.39Å; C243-R340 VanDerWaalsContact CA-O 3.28Å; C243-R340 WeakPolarHBondContact CA-O 3.44Å; C243-R340 WeakPolarHBondContact CB-O 3.18Å; C243-L341 HydrophobicContact CB-CD1 4.43Å
244S94.1Very high84Confident18 Ų1856 Ų5613%0.12630%0.3CS..EExtended strand (participates in β ladder)trans-149.8160.6-177.558.60000112.5H265 S339 R340S244-H265 WeakPolarHBondContact CB-O 3.35Å; S244-S339 PolarHBondContact O-N 2.81Å; S244-R340 PolarHBondContact N-O 3.21Å; S244-R340 VanDerWaalsContact N-O 3.08Å; S244-R340 PolarHBondContact O-N 3.12Å
245I92.9Very high84.1Confident12 Ų1257.4 Ų57.46%0.06231%0.311CS..  trans-112.3121.7177.6-51.1178.5000108.3L261 K263 G264 F338I245-L261 HydrophobicContact CD1-CB 3.7Å; I245-L261 HydrophobicContact CD1-CD1 4.05Å; I245-L261 HydrophobicContact CD1-CG 4.44Å; I245-K263 HydrophobicContact CG2-CG 3.98Å; I245-G264 PolarHBondContact O-N 3.32Å; I245-F338 HydrophobicContact CD1-CD1 4.43Å; I245-F338 HydrophobicContact CD1-CE1 4.29Å; I245-F338 HydrophobicContact CD1-CZ 4.47Å; I245-F338 HydrophobicContact CG1-CD1 3.74Å; I245-F338 HydrophobicContact CG1-CE1 3.97Å; I245-F338 HydrophobicContact CG1-CG 4.19Å
246D87.5Confident84.4Confident69 Ų6959.3 Ų59.337%0.36932%0.324SS..  trans-66142.1-179-77.5-13.7000111.5S339 R340D246-S339 PolarHBondContact N-OG 2.73Å; D246-S339 VanDerWaalsContact N-OG 3.09Å; D246-R340 WeakPolarHBondContact OD1-CD 3.27Å; D246-R340 IonicContact OD1-CZ 3.39Å; D246-R340 IonicContact OD1-NE 3.98Å; D246-R340 PolarHBondContact OD1-NE 3.23Å; D246-R340 IonicContact OD1-NH2 3.19Å; D246-R340 IonicContact OD2-CZ 2.71Å; D246-R340 IonicContact OD2-NE 3.8Å; D246-R340 PolarHBondContact OD2-NE 2.92Å; D246-R340 IonicContact OD2-NH2 3.65Å
247I86.2Confident84.9Confident61 Ų6153.9 Ų53.931%0.31330%0.301SS..  trans-87.1141.617256.4172.9000110.5D252 M253 K263 G264I247-D252 HydrophobicContact CB-CB 4.02Å; I247-D252 HydrophobicContact CG2-CB 4.01Å; I247-D252 WeakPolarHBondContact CG2-O 3.41Å; I247-M253 HydrophobicContact CD1-CE 4.26Å; I247-K263 HydrophobicContact CG2-CB 4.02Å; I247-G264 VanDerWaalsContact CG2-CA 3.5Å
248T80.6Confident85.6Confident121 Ų12157.2 Ų57.274%0.74232%0.319SS*.SBendtrans-86.8-21.8174.237.10000112.7D252T248-D252 PolarHBondContact N-OD2 3.12Å; T248-D252 PolarHBondContact OG1-OD2 2.91Å
249S80.1Confident86.1Confident50 Ų5058.6 Ų58.635%0.3532%0.319SS..SBendtrans-153.7162.6176.672.50000110.5F251 D252S249-F251 PolarHBondContact O-N 2.82Å; S249-F251 VanDerWaalsContact O-N 3.15Å; S249-F251 PolarHBondContact OG-N 3.41Å; S249-D252 PolarHBondContact N-OD2 3.14Å; S249-D252 WeakPolarHBondContact O-CB 3.49Å; S249-D252 PolarHBondContact O-N 2.75Å; S249-D252 PolarHBondContact OG-OD2 3.34Å
250A74.9Confident86.3Confident85 Ų8563.2 Ų63.270%0.70234%0.338SS*.G310 helixtrans-60.6-22.6176.100000113.5D252 M253A250-D252 PolarHBondContact O-N 3.39Å; A250-M253 WeakPolarHBondContact O-CB 3.15Å; A250-M253 PolarHBondContact O-N 3.33Å
251F74.6Confident86.4Confident197 Ų19763.1 Ų63.186%0.86434%0.338SS*.G310 helixtrans-73.7-16.1174.8-64.4-75.3000113.4S249 M253S249-F251 PolarHBondContact O-N 2.82Å; S249-F251 VanDerWaalsContact O-N 3.15Å; S249-F251 PolarHBondContact OG-N 3.41Å; F251-M253 VanDerWaalsContact C-N 3.31Å
252D79.3Confident86.3Confident36 Ų3663 Ų6319%0.19334%0.337CS..G310 helixtrans-87.70.4177.3-58.9-58.5000112.6I247 T248 S249 A250 E254 A255 K263I247-D252 HydrophobicContact CB-CB 4.02Å; I247-D252 HydrophobicContact CG2-CB 4.01Å; I247-D252 WeakPolarHBondContact CG2-O 3.41Å; T248-D252 PolarHBondContact N-OD2 3.12Å; T248-D252 PolarHBondContact OG1-OD2 2.91Å; S249-D252 PolarHBondContact N-OD2 3.14Å; S249-D252 WeakPolarHBondContact O-CB 3.49Å; S249-D252 PolarHBondContact O-N 2.75Å; S249-D252 PolarHBondContact OG-OD2 3.34Å; A250-D252 PolarHBondContact O-N 3.39Å; D252-E254 PolarHBondContact O-N 3.48Å; D252-A255 HydrophobicContact CB-CB 4.48Å; D252-A255 VanDerWaalsContact O-CB 3.26Å; D252-A255 WeakPolarHBondContact O-CB 3.39Å; D252-A255 PolarHBondContact O-N 3.2Å; D252-A255 VanDerWaalsContact O-N 3.1Å; D252-K263 HydrophobicContact CB-CD 4.44Å
253M78.6Confident86.1Confident121 Ų12165.8 Ų65.860%0.59635%0.349SS*.THydrogen-bonded Turntrans-63.1125177.3-175.8169.1-76.900110.2I247 A250 F251 A255I247-M253 HydrophobicContact CD1-CE 4.26Å; A250-M253 WeakPolarHBondContact O-CB 3.15Å; A250-M253 PolarHBondContact O-N 3.33Å; F251-M253 VanDerWaalsContact C-N 3.31Å; M253-A255 PolarHBondContact O-N 3.22Å; M253-A255 VanDerWaalsContact O-N 3.16Å
254E78.9Confident85.6Confident74 Ų7467.3 Ų67.335%0.34637%0.365SS..THydrogen-bonded Turntrans56.921.3-173.8-61.2-178.9170.400114.2D252 V256 V262 K263 W291D252-E254 PolarHBondContact O-N 3.48Å; E254-V256 PolarHBondContact O-N 3.37Å; E254-V262 HydrophobicContact CB-CG1 4.26Å; E254-K263 VanDerWaalsContact CA-O 3.23Å; E254-K263 WeakPolarHBondContact CA-O 3.5Å; E254-K263 PolarHBondContact N-O 2.92Å; E254-W291 HydrophobicContact CB-CZ2 4.38Å; E254-W291 HydrophobicContact CG-CZ2 4.43Å
255A84.6Confident85.3Confident32 Ų3266.6 Ų66.626%0.26436%0.36SS..PPolyproline II helixtrans-74.3125.8177.700000111.4D252 M253 K263D252-A255 HydrophobicContact CB-CB 4.48Å; D252-A255 VanDerWaalsContact O-CB 3.26Å; D252-A255 WeakPolarHBondContact O-CB 3.39Å; D252-A255 PolarHBondContact O-N 3.2Å; D252-A255 VanDerWaalsContact O-N 3.1Å; M253-A255 PolarHBondContact O-N 3.22Å; M253-A255 VanDerWaalsContact O-N 3.16Å; A255-K263 PolarHBondContact O-N 3.49Å
256V88.9Confident85.2Confident82 Ų8266.3 Ų66.350%0.49736%0.359SS..BIsolated β-bridgetrans-80.1124.8177.2-171.30000110.3E254 K260 V262 W291 V294E254-V256 PolarHBondContact O-N 3.37Å; V256-K260 HydrophobicContact CG1-CB 4.46Å; V256-V262 HydrophobicContact CG2-CG2 4.34Å; V256-W291 HydrophobicContact CG2-CZ3 4.48Å; V256-V294 HydrophobicContact CG1-CG1 4.31Å
257T89.1Confident85.5Confident33 Ų3363 Ų6320%0.20234%0.342CS..PPolyproline II helixtrans-74.8167.9175.864.40000111.8K259 K260 L261 K263T257-K259 PolarHBondContact O-N 3.17Å; T257-K259 VanDerWaalsContact O-N 3.13Å; T257-K260 WeakPolarHBondContact O-CA 3.44Å; T257-K260 PolarHBondContact O-N 2.93Å; T257-L261 WeakPolarHBondContact CB-O 3.41Å; T257-L261 VanDerWaalsContact CG2-O 3.29Å; T257-L261 WeakPolarHBondContact CG2-O 3.49Å; T257-L261 PolarHBondContact N-O 3.14Å; T257-L261 PolarHBondContact OG1-N 3.24Å; T257-L261 PolarHBondContact OG1-O 3.31Å; T257-K263 HydrophobicContact CG2-CD 4.44Å; T257-K263 HydrophobicContact CG2-CG 4.04Å
258F89.1Confident85.8Confident177 Ų17760.1 Ų60.178%0.77633%0.327SS*.THydrogen-bonded Turntrans-61.6-21.2175.879.9-85.3000114K260F258-K260 VanDerWaalsContact C-N 3.34Å
259K90.6Very high86.4Confident47 Ų4754.4 Ų54.420%0.20429%0.292CS..THydrogen-bonded Turntrans-96.817.2173.8-61.1-164.5173.9-174.70113.1T257 L261 W296 T297T257-K259 PolarHBondContact O-N 3.17Å; T257-K259 VanDerWaalsContact O-N 3.13Å; K259-L261 PolarHBondContact O-N 3.4Å; K259-W296 HydrophobicContact CB-CE3 3.8Å; K259-W296 HydrophobicContact CB-CH2 4.47Å; K259-W296 HydrophobicContact CB-CZ3 3.6Å; K259-W296 HydrophobicContact CD-CE3 4.11Å; K259-W296 HydrophobicContact CD-CH2 3.27Å; K259-W296 HydrophobicContact CD-CZ2 4.16Å; K259-W296 HydrophobicContact CD-CZ3 3.21Å; K259-W296 HydrophobicContact CG-CZ3 4.06Å; K259-T297 PolarHBondContact O-N 2.85Å
260K90.6Very high86.9Confident107 Ų10752.5 Ų52.547%0.46528%0.278SS..SBendtrans60.518.4-179.5-63.6-167.8-174.2178.20116.2V256 T257 F258 V294 E295 T297V256-K260 HydrophobicContact CG1-CB 4.46Å; T257-K260 WeakPolarHBondContact O-CA 3.44Å; T257-K260 PolarHBondContact O-N 2.93Å; F258-K260 VanDerWaalsContact C-N 3.34Å; K260-V294 HydrophobicContact CB-CG1 4.14Å; K260-V294 WeakPolarHBondContact O-CG1 3.33Å; K260-E295 WeakPolarHBondContact CB-O 3.43Å; K260-T297 HydrophobicContact CB-CG2 4.12Å; K260-T297 HydrophobicContact CD-CG2 3.51Å; K260-T297 HydrophobicContact CG-CG2 3.74Å
261L92.1Very high87.6Confident1 Ų149.4 Ų49.41%0.00525%0.252CS..PPolyproline II helixtrans-80.7144164.5-59.4176.4000110.4I245 T257 K259 W296 F327 Q337 F338I245-L261 HydrophobicContact CD1-CB 3.7Å; I245-L261 HydrophobicContact CD1-CD1 4.05Å; I245-L261 HydrophobicContact CD1-CG 4.44Å; T257-L261 WeakPolarHBondContact CB-O 3.41Å; T257-L261 VanDerWaalsContact CG2-O 3.29Å; T257-L261 WeakPolarHBondContact CG2-O 3.49Å; T257-L261 PolarHBondContact N-O 3.14Å; T257-L261 PolarHBondContact OG1-N 3.24Å; T257-L261 PolarHBondContact OG1-O 3.31Å; K259-L261 PolarHBondContact O-N 3.4Å; L261-W296 HydrophobicContact CD1-CE3 3.78Å; L261-W296 HydrophobicContact CD1-CZ3 3.68Å; L261-W296 HydrophobicContact CD2-CB 4.41Å; L261-W296 HydrophobicContact CD2-CE3 4.03Å; L261-W296 HydrophobicContact CG-CE3 3.79Å; L261-W296 HydrophobicContact CG-CZ3 4.15Å; L261-F327 HydrophobicContact CD2-CE2 4.06Å; L261-F327 HydrophobicContact CD2-CZ 3.64Å; L261-Q337 HydrophobicContact CD1-CB 3.65Å; L261-Q337 HydrophobicContact CD1-CG 3.95Å; L261-F338 HydrophobicContact CD1-CE2 4.2Å; L261-F338 HydrophobicContact CD2-CE2 4.46Å; L261-F338 HydrophobicContact CD2-CZ 4.31Å
262V90.1Very high88.4Confident0 Ų041.3 Ų41.30%022%0.218CC..BIsolated β-bridgetrans-101130-177.4-171.70000109.3E254 V256 H265 Y267 W291 V294E254-V262 HydrophobicContact CB-CG1 4.26Å; V256-V262 HydrophobicContact CG2-CG2 4.34Å; V262-H265 HydrophobicContact CB-CB 3.87Å; V262-H265 HydrophobicContact CG1-CB 3.63Å; V262-Y267 HydrophobicContact CB-CE2 4.48Å; V262-Y267 VanDerWaalsContact CB-OH 3.28Å; V262-Y267 WeakPolarHBondContact CB-OH 3.48Å; V262-Y267 WeakPolarHBondContact CG2-OH 3.32Å; V262-Y267 PolarHBondContact N-OH 2.88Å; V262-W291 HydrophobicContact CB-CH2 4.4Å; V262-W291 HydrophobicContact CG1-CH2 3.67Å; V262-W291 HydrophobicContact CG1-CZ2 4.05Å; V262-W291 HydrophobicContact CG1-CZ3 4.31Å; V262-W291 HydrophobicContact CG2-CE3 4.1Å; V262-W291 HydrophobicContact CG2-CH2 3.79Å; V262-W291 HydrophobicContact CG2-CZ3 3.54Å; V262-V294 HydrophobicContact CG2-CG1 4.47Å
263K89.9Confident88.9Confident58 Ų5843.5 Ų43.525%0.25223%0.226SC..THydrogen-bonded Turntrans-87.8151.1177.4-63.5-175.5179.5178.10111.9I245 I247 D252 E254 A255 T257 H265I245-K263 HydrophobicContact CG2-CG 3.98Å; I247-K263 HydrophobicContact CG2-CB 4.02Å; D252-K263 HydrophobicContact CB-CD 4.44Å; E254-K263 VanDerWaalsContact CA-O 3.23Å; E254-K263 WeakPolarHBondContact CA-O 3.5Å; E254-K263 PolarHBondContact N-O 2.92Å; A255-K263 PolarHBondContact O-N 3.49Å; T257-K263 HydrophobicContact CG2-CD 4.44Å; T257-K263 HydrophobicContact CG2-CG 4.04Å; K263-H265 PolarHBondContact O-N 2.87Å
264G85.1Confident89.5Confident33 Ų3342.2 Ų42.234%0.3422%0.218SC..THydrogen-bonded Turntrans63.826.8-179.800000113I245 I247I245-G264 PolarHBondContact O-N 3.32Å; I247-G264 VanDerWaalsContact CG2-CA 3.5Å
265H88.1Confident90Very high2 Ų238.9 Ų38.91%0.00920%0.203CC..  trans-127.6144.7-172.9-174.767.1000109.8C108 S244 V262 K263 Y267 N289 P290 W291C108-H265 WeakPolarHBondContact CB-CE1 3.24Å; C108-H265 WeakPolarHBondContact CB-ND1 3.41Å; C108-H265 PolarHBondContact SG-ND1 3.49Å; C108-H265 VanDerWaalsContact SG-ND1 3.43Å; S244-H265 WeakPolarHBondContact CB-O 3.35Å; V262-H265 HydrophobicContact CB-CB 3.87Å; V262-H265 HydrophobicContact CG1-CB 3.63Å; K263-H265 PolarHBondContact O-N 2.87Å; H265-Y267 HydrophobicContact CB-CE2 4.29Å; H265-Y267 AromaticContact CD2-CE2 3.63Å; H265-Y267 AromaticContact CD2-CZ 3.78Å; H265-N289 PolarHBondContact NE2-OD1 3.05Å; H265-P290 WeakPolarHBondContact NE2-CD 3.43Å; H265-P290 WeakPolarHBondContact NE2-CG 3.49Å; H265-W291 AromaticContact CE1-CD1 3.56Å; H265-W291 AromaticContact CE1-CE2 3.72Å; H265-W291 AromaticContact CE1-NE1 3.2Å; H265-W291 PolarHBondContact CE1-NE1 3.31Å; H265-W291 AromaticContact ND1-NE1 3.91Å; H265-W291 AromaticContact NE2-CD1 3.96Å; H265-W291 AromaticContact NE2-NE1 3.89Å
266A90.9Very high90.2Very high6 Ų641.7 Ų41.75%0.0521%0.214CC..EExtended strand (participates in β ladder)trans-89.2136.2178.400000110.7W109 A112 P290W109-A266 HydrophobicContact CB-CB 4.32Å; A112-A266 HydrophobicContact CB-CB 3.74Å; A266-P290 WeakPolarHBondContact O-CD 3.23Å; A266-P290 VanDerWaalsContact O-CG 3.26Å; A266-P290 WeakPolarHBondContact O-CG 3.44Å
267Y93.3Very high90Very high0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-122153.5173.7-71.5-95.6000109.7G242 C243 V262 H265 I287 R288 N289 F327 F338G242-Y267 CarbonylContact C-O 3.51Å; G242-Y267 WeakPolarHBondContact CA-O 3.44Å; C243-Y267 PolarHBondContact N-O 2.78Å; C243-Y267 PolarHBondContact O-N 2.89Å; V262-Y267 HydrophobicContact CB-CE2 4.48Å; V262-Y267 VanDerWaalsContact CB-OH 3.28Å; V262-Y267 WeakPolarHBondContact CB-OH 3.48Å; V262-Y267 WeakPolarHBondContact CG2-OH 3.32Å; V262-Y267 PolarHBondContact N-OH 2.88Å; H265-Y267 HydrophobicContact CB-CE2 4.29Å; H265-Y267 AromaticContact CD2-CE2 3.63Å; H265-Y267 AromaticContact CD2-CZ 3.78Å; Y267-I287 HydrophobicContact CD1-CG2 3.7Å; Y267-I287 HydrophobicContact CG-CG2 3.96Å; Y267-R288 WeakPolarHBondContact CA-O 3.37Å; Y267-R288 WeakPolarHBondContact CD1-O 3.45Å; Y267-N289 HydrophobicContact CD1-CB 4.06Å; Y267-N289 HydrophobicContact CE1-CB 3.66Å; Y267-F327 HydrophobicContact CD1-CZ 4.42Å; Y267-F327 HydrophobicContact CE1-CE1 4.17Å; Y267-F327 HydrophobicContact CE1-CZ 4.21Å; Y267-F338 AromaticContact CD2-CE1 3.73Å; Y267-F338 HydrophobicContact CD2-CE1 3.73Å; Y267-F338 HydrophobicContact CD2-CZ 4.33Å; Y267-F338 HydrophobicContact CE2-CE1 4.26Å; Y267-F338 HydrophobicContact CG-CE1 4.02Å; Y267-F338 HydrophobicContact CG-CZ 4.39Å
268S92.4Very high89.9Confident0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-96.6140172.5-530000110.1A112 S116 I287 R288A112-S268 WeakPolarHBondContact CA-OG 3.3Å; A112-S268 PolarHBondContact O-OG 2.95Å; S116-S268 VanDerWaalsContact OG-CB 3.28Å; S116-S268 WeakPolarHBondContact OG-CB 3.43Å; S116-S268 PolarHBondContact OG-OG 3.45Å; S268-I287 CarbonylContact O-C 3.58Å; S268-I287 VanDerWaalsContact O-CA 3.27Å; S268-I287 WeakPolarHBondContact O-CA 3.44Å; S268-R288 PolarHBondContact N-O 3.46Å; S268-R288 PolarHBondContact O-N 2.96Å
269V93.5Very high89.6Confident1 Ų137.9 Ų37.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-95.1117.7167.21750000107.8I231 L241 C243 I285 L341I231-V269 HydrophobicContact CG2-CG1 4.39Å; L241-V269 HydrophobicContact CB-CB 3.77Å; L241-V269 HydrophobicContact CB-CG1 4.44Å; L241-V269 HydrophobicContact CB-CG2 4.48Å; L241-V269 HydrophobicContact CD2-CB 4.45Å; L241-V269 HydrophobicContact CD2-CG1 4.29Å; L241-V269 PolarHBondContact O-N 3.42Å; L241-V269 VanDerWaalsContact O-N 3.08Å; C243-V269 HydrophobicContact CB-CG2 4.17Å; V269-I285 HydrophobicContact CG1-CD1 3.74Å; V269-I285 HydrophobicContact CG1-CG1 3.85Å; V269-I285 HydrophobicContact CG2-CD1 4.17Å; V269-L341 HydrophobicContact CG2-CD1 4.07Å
270T89.6Confident89.5Confident11 Ų1140.6 Ų40.67%0.06723%0.234CC..EExtended strand (participates in β ladder)trans-112.3-17.1-167.767.30000114.4L119 R286 R288 E326L119-T270 HydrophobicContact CD1-CG2 4.08Å; T270-R286 PolarHBondContact N-O 2.62Å; T270-R286 WeakPolarHBondContact OG1-CG 3.4Å; T270-R286 PolarHBondContact OG1-NE 3.1Å; T270-R288 HydrophobicContact CG2-CB 3.9Å; T270-E326 WeakPolarHBondContact CB-OE1 3.24Å; T270-E326 WeakPolarHBondContact CG2-OE1 3.41Å; T270-E326 PolarHBondContact OG1-OE1 3.17Å
271A90.1Very high89.5Confident19 Ų1938.9 Ų38.916%0.15724%0.239CC..EExtended strand (participates in β ladder)trans-163.7161.2174.100000112.9R286 W328A271-R286 HydrophobicContact CB-CB 3.86Å; A271-R286 PolarHBondContact O-N 3.44Å; A271-W328 HydrophobicContact CB-CH2 3.71Å; A271-W328 HydrophobicContact CB-CZ2 4.28Å; A271-W328 HydrophobicContact CB-CZ3 4.41Å
272L91.4Very high89.4Confident28 Ų2840.3 Ų40.315%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-124.8144.4162.5-74.2-177.5000109.7Y228 I231 L235 L284 I285Y228-L272 HydrophobicContact CD2-CD1 4.12Å; Y228-L272 HydrophobicContact CD2-CD2 4.24Å; Y228-L272 HydrophobicContact CE2-CB 4.44Å; Y228-L272 HydrophobicContact CE2-CD1 3.94Å; Y228-L272 HydrophobicContact CE2-CD2 3.81Å; Y228-L272 HydrophobicContact CE2-CG 4.31Å; I231-L272 HydrophobicContact CB-CD1 3.71Å; I231-L272 HydrophobicContact CG2-CD1 3.33Å; I231-L272 HydrophobicContact CG2-CD2 4.16Å; I231-L272 HydrophobicContact CG2-CG 3.71Å; L235-L272 HydrophobicContact CD1-CB 4.33Å; L235-L272 HydrophobicContact CD1-CD1 4.47Å; L235-L272 HydrophobicContact CD1-CG 3.95Å; L272-L284 WeakPolarHBondContact CD2-O 3.23Å; L272-I285 HydrophobicContact CD2-CB 3.59Å; L272-I285 HydrophobicContact CD2-CD1 4.02Å; L272-I285 HydrophobicContact CD2-CG1 3.65Å
273K90.2Very high89.6Confident81 Ų8146.2 Ų46.235%0.35227%0.27SS..EExtended strand (participates in β ladder)trans-147141.5172.7-163.884.6175.8-165.60110.1Y228 V275 L284 L318 W328Y228-K273 PolarHBondContact OH-O 3.16Å; K273-V275 HydrophobicContact CG-CG1 3.99Å; K273-L284 PolarHBondContact N-O 2.69Å; K273-L284 VanDerWaalsContact N-O 3.08Å; K273-L284 WeakPolarHBondContact O-CA 3.49Å; K273-L284 PolarHBondContact O-N 3.26Å; K273-L318 HydrophobicContact CB-CD2 3.99Å; K273-L318 HydrophobicContact CD-CD2 4.5Å; K273-L318 HydrophobicContact CG-CD2 3.92Å; K273-W328 HydrophobicContact CB-CH2 3.8Å; K273-W328 HydrophobicContact CB-CZ3 3.85Å
274E90.9Very high89.9Confident94 Ų9443.4 Ų43.444%0.43926%0.258SS..EExtended strand (participates in β ladder)trans-102.4128.6164.8-165.1168.2105.300107.9A281 V282 R283E274-A281 HydrophobicContact CG-CB 4.09Å; E274-V282 WeakPolarHBondContact CA-O 3.49Å; E274-R283 HydrophobicContact CG-CG 4.15Å; E274-R283 WeakPolarHBondContact OE2-CG 3.34Å; E274-R283 IonicContact OE2-CZ 3.95Å; E274-R283 IonicContact OE2-NE 2.78Å; E274-R283 PolarHBondContact OE2-NE 2.55Å; E274-R283 IonicContact OE2-NH2 3.94Å
275V89.9Confident90.3Very high4 Ų441.9 Ų41.92%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-123149.9-179-600000110K273 V282 L284 W300 I310 L318K273-V275 HydrophobicContact CG-CG1 3.99Å; V275-V282 HydrophobicContact CG2-CB 4.25Å; V275-V282 PolarHBondContact N-O 3.39Å; V275-V282 PolarHBondContact O-N 3.5Å; V275-L284 HydrophobicContact CG1-CD1 4.05Å; V275-L284 HydrophobicContact CG2-CD1 3.67Å; V275-L284 HydrophobicContact CG2-CG 4.07Å; V275-W300 HydrophobicContact CG2-CH2 4.32Å; V275-I310 HydrophobicContact CB-CD1 4.11Å; V275-I310 HydrophobicContact CG2-CD1 3.94Å; V275-L318 HydrophobicContact CG1-CD1 4.33Å
276D87.3Confident90.6Very high92 Ų9242.9 Ų42.949%0.49225%0.246SC..EExtended strand (participates in β ladder)trans-85.8113.1170-169.6-38.4000109.3G279 N280 I310D276-G279 WeakPolarHBondContact OD1-CA 3.49Å; D276-G279 PolarHBondContact OD1-N 3.11Å; D276-N280 PolarHBondContact OD1-N 2.87Å; D276-I310 VanDerWaalsContact O-CD1 3.3Å; D276-I310 WeakPolarHBondContact O-CD1 3.29Å
277Y86.4Confident90.7Very high76 Ų7642.6 Ų42.630%0.29824%0.244SC..EExtended strand (participates in β ladder)trans-114.1109.5173.5179.8-104.6000109.7G279 N280 W300 E306 E309 I310Y277-G279 VanDerWaalsContact C-N 3.29Å; Y277-G279 PolarHBondContact O-N 2.87Å; Y277-N280 PolarHBondContact N-O 3.38Å; Y277-N280 PolarHBondContact O-N 2.95Å; Y277-N280 VanDerWaalsContact O-N 3.12Å; Y277-W300 HydrophobicContact CD1-CZ2 4.41Å; Y277-W300 AromaticContact CD2-CH2 3.51Å; Y277-W300 HydrophobicContact CD2-CH2 3.51Å; Y277-W300 HydrophobicContact CD2-CZ2 4.03Å; Y277-W300 HydrophobicContact CE2-CH2 4.13Å; Y277-W300 AromaticContact CG-CH2 3.81Å; Y277-W300 HydrophobicContact CG-CH2 3.81Å; Y277-W300 AromaticContact CG-CZ2 3.95Å; Y277-W300 HydrophobicContact CG-CZ2 3.95Å; Y277-E306 HydrophobicContact CE2-CB 4.13Å; Y277-E306 HydrophobicContact CE2-CG 4.4Å; Y277-E306 WeakPolarHBondContact CE2-O 3.45Å; Y277-E309 HydrophobicContact CD2-CB 3.96Å; Y277-E309 HydrophobicContact CE2-CB 3.65Å; Y277-E309 HydrophobicContact CE2-CG 4.03Å; Y277-I310 HydrophobicContact CD2-CD1 4.18Å
278A85.3Confident90.6Very high75 Ų7542.7 Ų42.762%0.6224%0.244SC*.THydrogen-bonded Turntrans53.240.5-18000000114N280A278-N280 PolarHBondContact O-ND2 3.15Å
279G84.1Confident90.5Very high61 Ų6142.7 Ų42.763%0.62924%0.244SC*.THydrogen-bonded Turntrans82.710.8179.300000114.4D276 Y277D276-G279 WeakPolarHBondContact OD1-CA 3.49Å; D276-G279 PolarHBondContact OD1-N 3.11Å; Y277-G279 VanDerWaalsContact C-N 3.29Å; Y277-G279 PolarHBondContact O-N 2.87Å
280N88.2Confident90Very high104 Ų10442.6 Ų42.656%0.55624%0.243SC*.EExtended strand (participates in β ladder)trans-122132177.4-57.6-77.8000110.1D276 Y277 A278 V282D276-N280 PolarHBondContact OD1-N 2.87Å; Y277-N280 PolarHBondContact N-O 3.38Å; Y277-N280 PolarHBondContact O-N 2.95Å; Y277-N280 VanDerWaalsContact O-N 3.12Å; A278-N280 PolarHBondContact O-ND2 3.15Å; N280-V282 PolarHBondContact O-N 3.04Å
281A89.7Confident89.6Confident70 Ų7044.3 Ų44.358%0.57925%0.249SC*.EExtended strand (participates in β ladder)trans-68.3117.7171.800000110.5E274E274-A281 HydrophobicContact CG-CB 4.09Å
282V92Very high89.1Confident32 Ų3244 Ų4419%0.19425%0.247CC..EExtended strand (participates in β ladder)trans-113127.2177.3179.80000109.2E274 V275 N280 L284 W300E274-V282 WeakPolarHBondContact CA-O 3.49Å; V275-V282 HydrophobicContact CG2-CB 4.25Å; V275-V282 PolarHBondContact N-O 3.39Å; V275-V282 PolarHBondContact O-N 3.5Å; N280-V282 PolarHBondContact O-N 3.04Å; V282-L284 HydrophobicContact CG1-CD2 3.84Å; V282-W300 HydrophobicContact CG1-CZ2 4.15Å
283R94.3Very high88.6Confident123 Ų12348.3 Ų48.346%0.46427%0.266SS..EExtended strand (participates in β ladder)trans-89122.9177.2-70.4177.1-176.5171.72.6110.6Y228 E274 F331Y228-R283 HydrophobicContact CD2-CB 4.11Å; Y228-R283 HydrophobicContact CD2-CG 4.29Å; Y228-R283 HydrophobicContact CE1-CG 4.21Å; Y228-R283 HydrophobicContact CE2-CB 3.57Å; Y228-R283 HydrophobicContact CE2-CG 3.8Å; E274-R283 HydrophobicContact CG-CG 4.15Å; E274-R283 WeakPolarHBondContact OE2-CG 3.34Å; E274-R283 IonicContact OE2-CZ 3.95Å; E274-R283 IonicContact OE2-NE 2.78Å; E274-R283 PolarHBondContact OE2-NE 2.55Å; E274-R283 IonicContact OE2-NH2 3.94Å; R283-F331 HydrophobicContact CB-CB 4Å; R283-F331 PolarHBondContact O-N 3.37Å
284L94.6Very high88.3Confident0 Ų046.6 Ų46.60%026%0.263CS..EExtended strand (participates in β ladder)trans-114.6149.1-179.9-56.1-177.1000110.8L272 K273 V275 V282 W300 W307 W328 M329L272-L284 WeakPolarHBondContact CD2-O 3.23Å; K273-L284 PolarHBondContact N-O 2.69Å; K273-L284 VanDerWaalsContact N-O 3.08Å; K273-L284 WeakPolarHBondContact O-CA 3.49Å; K273-L284 PolarHBondContact O-N 3.26Å; V275-L284 HydrophobicContact CG1-CD1 4.05Å; V275-L284 HydrophobicContact CG2-CD1 3.67Å; V275-L284 HydrophobicContact CG2-CG 4.07Å; V282-L284 HydrophobicContact CG1-CD2 3.84Å; L284-W300 HydrophobicContact CD1-CD2 4.22Å; L284-W300 HydrophobicContact CD1-CE3 4.08Å; L284-W300 HydrophobicContact CD1-CZ3 4.43Å; L284-W300 HydrophobicContact CD2-CB 4.44Å; L284-W300 HydrophobicContact CD2-CD2 3.76Å; L284-W300 HydrophobicContact CD2-CE3 4.43Å; L284-W300 HydrophobicContact CD2-CG 3.73Å; L284-W300 HydrophobicContact CD2-CZ2 4.47Å; L284-W307 HydrophobicContact CD1-CH2 3.8Å; L284-W307 HydrophobicContact CD1-CZ3 4.11Å; L284-W328 HydrophobicContact CB-CE3 3.66Å; L284-W328 HydrophobicContact CB-CZ3 4Å; L284-M329 WeakPolarHBondContact CA-O 3.39Å
285I95.1Very high88.1Confident0 Ų043.4 Ų43.40%025%0.248CC..EExtended strand (participates in β ladder)trans-128.9134.8174-175.6168.8000109V269 L272 I287 W328 M329 F331 F334V269-I285 HydrophobicContact CG1-CD1 3.74Å; V269-I285 HydrophobicContact CG1-CG1 3.85Å; V269-I285 HydrophobicContact CG2-CD1 4.17Å; L272-I285 HydrophobicContact CD2-CB 3.59Å; L272-I285 HydrophobicContact CD2-CD1 4.02Å; L272-I285 HydrophobicContact CD2-CG1 3.65Å; I285-I287 HydrophobicContact CG1-CG1 4.29Å; I285-I287 HydrophobicContact CG2-CD1 4.49Å; I285-W328 WeakPolarHBondContact O-CA 3.23Å; I285-M329 HydrophobicContact CG2-CG 3.73Å; I285-M329 PolarHBondContact N-O 3.24Å; I285-M329 PolarHBondContact O-N 3.36Å; I285-F331 HydrophobicContact CB-CD2 4.44Å; I285-F331 HydrophobicContact CD1-CD2 4.48Å; I285-F331 HydrophobicContact CG2-CD2 4.47Å; I285-F334 HydrophobicContact CD1-CD1 4.02Å; I285-F334 HydrophobicContact CD1-CD2 4.18Å; I285-F334 HydrophobicContact CD1-CE1 4.05Å; I285-F334 HydrophobicContact CD1-CE2 4.21Å; I285-F334 HydrophobicContact CD1-CG 4.08Å; I285-F334 HydrophobicContact CD1-CZ 4.14Å; I285-F334 HydrophobicContact CG2-CB 3.67Å; I285-F334 HydrophobicContact CG2-CD2 4.45Å; I285-F334 HydrophobicContact CG2-CG 4.02Å
286R93.6Very high88.2Confident24 Ų2443.4 Ų43.49%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-99129.8176.5-163.4171.562.3-176.9-2.3109.9T270 A271 E326 F327 W328T270-R286 PolarHBondContact N-O 2.62Å; T270-R286 WeakPolarHBondContact OG1-CG 3.4Å; T270-R286 PolarHBondContact OG1-NE 3.1Å; A271-R286 HydrophobicContact CB-CB 3.86Å; A271-R286 PolarHBondContact O-N 3.44Å; R286-E326 VanDerWaalsContact CD-OE2 3.24Å; R286-E326 WeakPolarHBondContact CD-OE2 3.43Å; R286-E326 HydrophobicContact CG-CG 3.54Å; R286-E326 IonicContact CZ-OE1 2.68Å; R286-E326 IonicContact CZ-OE2 2.94Å; R286-E326 VanDerWaalsContact CZ-OE2 3.32Å; R286-E326 IonicContact NE-OE1 3.58Å; R286-E326 PolarHBondContact NE-OE1 2.94Å; R286-E326 IonicContact NE-OE2 3.74Å; R286-E326 PolarHBondContact NE-OE2 2.73Å; R286-E326 IonicContact NH1-OE2 3Å; R286-E326 PolarHBondContact NH1-OE2 2.93Å; R286-F327 WeakPolarHBondContact CA-O 3.5Å; R286-W328 HydrophobicContact CB-CD2 3.77Å; R286-W328 HydrophobicContact CB-CE3 3.72Å; R286-W328 HydrophobicContact CB-CG 4.48Å; R286-W328 HydrophobicContact CB-CH2 3.87Å; R286-W328 HydrophobicContact CB-CZ2 3.89Å; R286-W328 HydrophobicContact CB-CZ3 3.78Å; R286-W328 HydrophobicContact CG-CD2 4.02Å; R286-W328 HydrophobicContact CG-CE3 4.47Å; R286-W328 HydrophobicContact CG-CG 4.34Å; R286-W328 HydrophobicContact CG-CZ2 4.18Å
287I93.8Very high88.4Confident0 Ų042.4 Ų42.40%025%0.245CC..EExtended strand (participates in β ladder)trans-128140.2-175.1-58.5-178.1000108.1Y267 S268 I285 E326 F327 M329 F334 F338Y267-I287 HydrophobicContact CD1-CG2 3.7Å; Y267-I287 HydrophobicContact CG-CG2 3.96Å; S268-I287 CarbonylContact O-C 3.58Å; S268-I287 VanDerWaalsContact O-CA 3.27Å; S268-I287 WeakPolarHBondContact O-CA 3.44Å; I285-I287 HydrophobicContact CG1-CG1 4.29Å; I285-I287 HydrophobicContact CG2-CD1 4.49Å; I287-E326 CarbonylContact O-C 3.32Å; I287-E326 WeakPolarHBondContact O-CA 3.39Å; I287-F327 HydrophobicContact CB-CD2 4.38Å; I287-F327 HydrophobicContact CB-CE2 3.81Å; I287-F327 HydrophobicContact CB-CZ 3.94Å; I287-F327 HydrophobicContact CD1-CE2 4.39Å; I287-F327 HydrophobicContact CG2-CE1 4.48Å; I287-F327 HydrophobicContact CG2-CE2 4.22Å; I287-F327 HydrophobicContact CG2-CZ 3.86Å; I287-F327 PolarHBondContact N-O 3.33Å; I287-F327 PolarHBondContact O-N 3.11Å; I287-M329 HydrophobicContact CD1-CG 4.26Å; I287-M329 HydrophobicContact CD1-SD 3.57Å; I287-M329 VanDerWaalsContact CD1-SD 3.57Å; I287-F334 HydrophobicContact CD1-CD2 3.63Å; I287-F334 HydrophobicContact CD1-CE2 4.07Å; I287-F338 HydrophobicContact CD1-CD2 4.22Å; I287-F338 HydrophobicContact CD1-CE1 4.44Å; I287-F338 HydrophobicContact CD1-CE2 3.54Å; I287-F338 HydrophobicContact CD1-CZ 3.66Å; I287-F338 HydrophobicContact CG2-CZ 4.17Å
288R90.7Very high88.6Confident1 Ų139.5 Ų39.50%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-117.4131.5175.6-174.8175.3-178.4-88.6-10.2112.1R97 I100 Y267 S268 T270 G325 E326R97-R288 PolarHBondContact O-NH1 3.31Å; R97-R288 PolarHBondContact O-NH2 3.39Å; I100-R288 PolarHBondContact O-NH2 3Å; Y267-R288 WeakPolarHBondContact CA-O 3.37Å; Y267-R288 WeakPolarHBondContact CD1-O 3.45Å; S268-R288 PolarHBondContact N-O 3.46Å; S268-R288 PolarHBondContact O-N 2.96Å; T270-R288 HydrophobicContact CG2-CB 3.9Å; R288-G325 CarbonylContact C-O 3.57Å; R288-G325 WeakPolarHBondContact CA-O 3.49Å; R288-E326 HydrophobicContact CB-CB 4.36Å; R288-E326 HydrophobicContact CB-CG 4.39Å; R288-E326 HydrophobicContact CG-CB 4.31Å
289N89.7Confident88.9Confident0 Ų037.3 Ų37.30%022%0.22CC..  trans-83.1120.3167.6-170.2-11.7000110H265 Y267 W291 G292 Q293 V294 G325H265-N289 PolarHBondContact NE2-OD1 3.05Å; Y267-N289 HydrophobicContact CD1-CB 4.06Å; Y267-N289 HydrophobicContact CE1-CB 3.66Å; N289-W291 PolarHBondContact O-N 2.83Å; N289-W291 VanDerWaalsContact O-N 3.09Å; N289-W291 PolarHBondContact OD1-N 2.63Å; N289-W291 VanDerWaalsContact OD1-N 3.11Å; N289-G292 PolarHBondContact O-N 2.96Å; N289-Q293 PolarHBondContact ND2-O 3.01Å; N289-V294 PolarHBondContact ND2-O 2.65Å; N289-V294 VanDerWaalsContact ND2-O 3.09Å; N289-G325 WeakPolarHBondContact CB-O 3.23Å; N289-G325 PolarHBondContact N-O 3.24Å
290P83.1Confident89.3Confident0 Ų035 Ų350%019%0.192CC..THydrogen-bonded Turntrans-66.8-6.317828.9-38000114.6Q102 C108 L111 A112 H265 A266 G292Q102-P290 PolarHBondContact N-O 2.95Å; C108-P290 HydrophobicContact CB-CG 4.4Å; L111-P290 HydrophobicContact CB-CB 3.74Å; A112-P290 HydrophobicContact CB-CB 4.49Å; A112-P290 HydrophobicContact CB-CG 4.2Å; H265-P290 WeakPolarHBondContact NE2-CD 3.43Å; H265-P290 WeakPolarHBondContact NE2-CG 3.49Å; A266-P290 WeakPolarHBondContact O-CD 3.23Å; A266-P290 VanDerWaalsContact O-CG 3.26Å; A266-P290 WeakPolarHBondContact O-CG 3.44Å; P290-G292 PolarHBondContact O-N 3.21Å
291W81.3Confident89.3Confident46 Ų4630.8 Ų30.817%0.17417%0.171CC..THydrogen-bonded Turntrans-67.1-18167.4-68.8-5000112.8E254 V256 V262 H265 N289 Q293 V294E254-W291 HydrophobicContact CB-CZ2 4.38Å; E254-W291 HydrophobicContact CG-CZ2 4.43Å; V256-W291 HydrophobicContact CG2-CZ3 4.48Å; V262-W291 HydrophobicContact CB-CH2 4.4Å; V262-W291 HydrophobicContact CG1-CH2 3.67Å; V262-W291 HydrophobicContact CG1-CZ2 4.05Å; V262-W291 HydrophobicContact CG1-CZ3 4.31Å; V262-W291 HydrophobicContact CG2-CE3 4.1Å; V262-W291 HydrophobicContact CG2-CH2 3.79Å; V262-W291 HydrophobicContact CG2-CZ3 3.54Å; H265-W291 AromaticContact CE1-CD1 3.56Å; H265-W291 AromaticContact CE1-CE2 3.72Å; H265-W291 AromaticContact CE1-NE1 3.2Å; H265-W291 PolarHBondContact CE1-NE1 3.31Å; H265-W291 AromaticContact ND1-NE1 3.91Å; H265-W291 AromaticContact NE2-CD1 3.96Å; H265-W291 AromaticContact NE2-NE1 3.89Å; N289-W291 PolarHBondContact O-N 2.83Å; N289-W291 VanDerWaalsContact O-N 3.09Å; N289-W291 PolarHBondContact OD1-N 2.63Å; N289-W291 VanDerWaalsContact OD1-N 3.11Å; W291-Q293 HydrophobicContact CB-CG 3.96Å; W291-Q293 PolarHBondContact O-N 2.72Å; W291-V294 HydrophobicContact CE3-CB 4.25Å; W291-V294 HydrophobicContact CE3-CG2 4.17Å; W291-V294 HydrophobicContact CZ3-CG2 4.47Å
292G79.9Confident89.1Confident12 Ų1228.1 Ų28.112%0.12415%0.147CC..SBendtrans69.413.4-172.200000113.3N289 P290 D324 G325N289-G292 PolarHBondContact O-N 2.96Å; P290-G292 PolarHBondContact O-N 3.21Å; G292-D324 VanDerWaalsContact C-C 3.49Å; G292-D324 CarbonylContact C-O 3.57Å; G292-D324 WeakPolarHBondContact CA-O 2.83Å; G292-D324 CarbonylContact O-C 3.52Å; G292-D324 VanDerWaalsContact O-C 3.28Å; G292-G325 PolarHBondContact O-N 2.63Å
293Q79.9Confident88.7Confident119 Ų11933 Ų3356%0.55617%0.172SC*.  trans-159.3176.8-17856.9178.6-12.200109.8N289 W291N289-Q293 PolarHBondContact ND2-O 3.01Å; W291-Q293 HydrophobicContact CB-CG 3.96Å; W291-Q293 PolarHBondContact O-N 2.72Å
294V84.1Confident88.4Confident46 Ų4627.8 Ų27.828%0.27915%0.154SC..  trans62.689179.2-1750000111.6V256 K260 V262 N289 W291V256-V294 HydrophobicContact CG1-CG1 4.31Å; K260-V294 HydrophobicContact CB-CG1 4.14Å; K260-V294 WeakPolarHBondContact O-CG1 3.33Å; V262-V294 HydrophobicContact CG2-CG1 4.47Å; N289-V294 PolarHBondContact ND2-O 2.65Å; N289-V294 VanDerWaalsContact ND2-O 3.09Å; W291-V294 HydrophobicContact CE3-CB 4.25Å; W291-V294 HydrophobicContact CE3-CG2 4.17Å; W291-V294 HydrophobicContact CZ3-CG2 4.47Å
295E88.1Confident88.1Confident26 Ų2631.7 Ų31.712%0.12118%0.181CC..  trans-111.5159.6-173.2-69157.8-168.500113.2K260 E323 D324 G325 F327K260-E295 WeakPolarHBondContact CB-O 3.43Å; E295-E323 VanDerWaalsContact OE1-C 3.26Å; E295-E323 WeakPolarHBondContact OE1-CA 3.43Å; E295-E323 PolarHBondContact OE1-N 2.68Å; E295-D324 PolarHBondContact OE1-N 3.42Å; E295-G325 WeakPolarHBondContact OE1-CA 3.28Å; E295-G325 PolarHBondContact OE1-N 2.65Å; E295-F327 HydrophobicContact CB-CB 4.38Å; E295-F327 HydrophobicContact CB-CD1 4.01Å; E295-F327 HydrophobicContact CG-CD1 4.07Å
296W91.9Very high87.8Confident5 Ų533.6 Ų33.62%0.01919%0.191CC..  trans-51.9134.8173.9170.9-113.8000112.8K259 L261 G298 A299 S301 F327 M329 D333 Q337K259-W296 HydrophobicContact CB-CE3 3.8Å; K259-W296 HydrophobicContact CB-CH2 4.47Å; K259-W296 HydrophobicContact CB-CZ3 3.6Å; K259-W296 HydrophobicContact CD-CE3 4.11Å; K259-W296 HydrophobicContact CD-CH2 3.27Å; K259-W296 HydrophobicContact CD-CZ2 4.16Å; K259-W296 HydrophobicContact CD-CZ3 3.21Å; K259-W296 HydrophobicContact CG-CZ3 4.06Å; L261-W296 HydrophobicContact CD1-CE3 3.78Å; L261-W296 HydrophobicContact CD1-CZ3 3.68Å; L261-W296 HydrophobicContact CD2-CB 4.41Å; L261-W296 HydrophobicContact CD2-CE3 4.03Å; L261-W296 HydrophobicContact CG-CE3 3.79Å; L261-W296 HydrophobicContact CG-CZ3 4.15Å; W296-G298 VanDerWaalsContact NE1-C 3.26Å; W296-G298 VanDerWaalsContact NE1-CA 3.32Å; W296-A299 PolarHBondContact NE1-O 2.86Å; W296-S301 WeakPolarHBondContact O-CB 3.3Å; W296-F327 HydrophobicContact CB-CB 4.2Å; W296-F327 HydrophobicContact CB-CD1 4.19Å; W296-F327 HydrophobicContact CB-CD2 3.27Å; W296-F327 HydrophobicContact CB-CE1 4.42Å; W296-F327 HydrophobicContact CB-CE2 3.57Å; W296-F327 HydrophobicContact CB-CG 3.62Å; W296-F327 HydrophobicContact CB-CZ 4.14Å; W296-F327 HydrophobicContact CG-CD2 4.06Å; W296-F327 HydrophobicContact CG-CE2 4.35Å; W296-M329 HydrophobicContact CD2-CE 4.15Å; W296-M329 HydrophobicContact CE3-CE 4.17Å; W296-M329 HydrophobicContact CH2-CE 3.84Å; W296-M329 HydrophobicContact CZ2-CE 3.87Å; W296-M329 HydrophobicContact CZ3-CE 4.01Å; W296-D333 HydrophobicContact CH2-CB 4.44Å; W296-D333 HydrophobicContact CZ2-CB 4.3Å; W296-Q337 HydrophobicContact CH2-CG 3.96Å; W296-Q337 HydrophobicContact CZ3-CG 3.95Å
297T91Very high87.5Confident71 Ų7132.5 Ų32.544%0.43619%0.186SC..  trans-112.416.8178.7670000113.7K259 K260K259-T297 PolarHBondContact O-N 2.85Å; K260-T297 HydrophobicContact CB-CG2 4.12Å; K260-T297 HydrophobicContact CD-CG2 3.51Å; K260-T297 HydrophobicContact CG-CG2 3.74Å
298G91.2Very high87.1Confident14 Ų1438 Ų3814%0.14422%0.216CC..SBendtrans-93.6-162.9177.100000112.6W296 W300 S301W296-G298 VanDerWaalsContact NE1-C 3.26Å; W296-G298 VanDerWaalsContact NE1-CA 3.32Å; G298-W300 PolarHBondContact O-N 3.2Å; G298-S301 VanDerWaalsContact O-CB 3.23Å; G298-S301 WeakPolarHBondContact O-CB 3.36Å; G298-S301 PolarHBondContact O-N 3.45Å; G298-S301 VanDerWaalsContact O-N 3.14Å; G298-S301 PolarHBondContact O-OG 2.99Å
299A91.1Very high86.8Confident30 Ų3044.2 Ų44.225%0.24825%0.245CC..THydrogen-bonded Turntrans-55.1138.2174.500000110.8W296 S301 E306W296-A299 PolarHBondContact NE1-O 2.86Å; A299-S301 PolarHBondContact O-N 2.97Å; A299-E306 WeakPolarHBondContact CA-OE1 3.31Å; A299-E306 VanDerWaalsContact CB-OE1 3.25Å; A299-E306 WeakPolarHBondContact CB-OE1 3.45Å
300W91.7Very high86.6Confident12 Ų1244.6 Ų44.65%0.04525%0.247CC..THydrogen-bonded Turntrans69.510.2-176.8-49.3100.5000115.8V275 Y277 V282 L284 G298 S304 E306 W307 I310 W328V275-W300 HydrophobicContact CG2-CH2 4.32Å; Y277-W300 HydrophobicContact CD1-CZ2 4.41Å; Y277-W300 AromaticContact CD2-CH2 3.51Å; Y277-W300 HydrophobicContact CD2-CH2 3.51Å; Y277-W300 HydrophobicContact CD2-CZ2 4.03Å; Y277-W300 HydrophobicContact CE2-CH2 4.13Å; Y277-W300 AromaticContact CG-CH2 3.81Å; Y277-W300 HydrophobicContact CG-CH2 3.81Å; Y277-W300 AromaticContact CG-CZ2 3.95Å; Y277-W300 HydrophobicContact CG-CZ2 3.95Å; V282-W300 HydrophobicContact CG1-CZ2 4.15Å; L284-W300 HydrophobicContact CD1-CD2 4.22Å; L284-W300 HydrophobicContact CD1-CE3 4.08Å; L284-W300 HydrophobicContact CD1-CZ3 4.43Å; L284-W300 HydrophobicContact CD2-CB 4.44Å; L284-W300 HydrophobicContact CD2-CD2 3.76Å; L284-W300 HydrophobicContact CD2-CE3 4.43Å; L284-W300 HydrophobicContact CD2-CG 3.73Å; L284-W300 HydrophobicContact CD2-CZ2 4.47Å; G298-W300 PolarHBondContact O-N 3.2Å; W300-S304 PolarHBondContact N-OG 2.92Å; W300-E306 HydrophobicContact CD2-CB 4.02Å; W300-E306 HydrophobicContact CE3-CB 3.84Å; W300-E306 HydrophobicContact CH2-CB 3.91Å; W300-E306 HydrophobicContact CZ2-CB 4.09Å; W300-E306 HydrophobicContact CZ2-CG 4.47Å; W300-E306 HydrophobicContact CZ3-CB 3.78Å; W300-W307 HydrophobicContact CB-CZ2 4.13Å; W300-W307 AromaticContact CE3-CD2 3.91Å; W300-W307 HydrophobicContact CE3-CD2 3.91Å; W300-W307 AromaticContact CE3-CE2 3.95Å; W300-W307 AromaticContact CE3-CE3 3.74Å; W300-W307 HydrophobicContact CE3-CE3 3.74Å; W300-W307 AromaticContact CE3-CH2 3.72Å; W300-W307 HydrophobicContact CE3-CH2 3.72Å; W300-W307 AromaticContact CE3-CZ2 3.9Å; W300-W307 HydrophobicContact CE3-CZ2 3.9Å; W300-W307 AromaticContact CE3-CZ3 3.6Å; W300-W307 HydrophobicContact CE3-CZ3 3.6Å; W300-W307 HydrophobicContact CZ3-CD2 4.22Å; W300-W307 AromaticContact CZ3-CE3 3.73Å; W300-W307 HydrophobicContact CZ3-CE3 3.73Å; W300-W307 HydrophobicContact CZ3-CH2 4.33Å; W300-W307 AromaticContact CZ3-CZ3 3.74Å; W300-W307 HydrophobicContact CZ3-CZ3 3.74Å; W300-W307 WeakPolarHBondContact O-CZ2 3.29Å; W300-W307 PolarHBondContact O-NE1 2.82Å; W300-I310 HydrophobicContact CH2-CD1 3.92Å; W300-I310 HydrophobicContact CH2-CG1 4.11Å; W300-I310 HydrophobicContact CZ3-CD1 4.07Å; W300-I310 HydrophobicContact CZ3-CG1 3.78Å; W300-W328 CarbonylContact C-O 3.35Å; W300-W328 HydrophobicContact CB-CB 4.35Å
301S89.7Confident86.5Confident16 Ų1648.8 Ų48.811%0.11227%0.269CS..SBendtrans-59163.5163.158.30000111.8W296 G298 A299 N303 S304 W307W296-S301 WeakPolarHBondContact O-CB 3.3Å; G298-S301 VanDerWaalsContact O-CB 3.23Å; G298-S301 WeakPolarHBondContact O-CB 3.36Å; G298-S301 PolarHBondContact O-N 3.45Å; G298-S301 VanDerWaalsContact O-N 3.14Å; G298-S301 PolarHBondContact O-OG 2.99Å; A299-S301 PolarHBondContact O-N 2.97Å; S301-N303 PolarHBondContact O-N 2.7Å; S301-S304 WeakPolarHBondContact O-CB 3.36Å; S301-S304 PolarHBondContact O-N 2.78Å; S301-W307 VanDerWaalsContact O-CD1 3.27Å; S301-W307 PolarHBondContact O-NE1 3.24Å
302D84.5Confident86.4Confident13 Ų1351 Ų517%0.0729%0.289CS..THydrogen-bonded Turntrans-58.6-30.8-173-59.7-5.8000113.8
303N83.6Confident86.3Confident134 Ų13453.9 Ų53.972%0.71731%0.308SS*.THydrogen-bonded Turntrans-99.713.3178.4-66.3-56.3000113.5S301 M322S301-N303 PolarHBondContact O-N 2.7Å; N303-M322 VanDerWaalsContact OD1-CE 3.25Å; N303-M322 WeakPolarHBondContact OD1-CE 3.05Å
304S87.8Confident86.1Confident14 Ų1451.8 Ų51.810%0.09830%0.298CS..  trans-73.1135.5-176.7-144.30000111.4W300 S301 E306 W307W300-S304 PolarHBondContact N-OG 2.92Å; S301-S304 WeakPolarHBondContact O-CB 3.36Å; S301-S304 PolarHBondContact O-N 2.78Å; S304-E306 WeakPolarHBondContact CB-OE2 3.37Å; S304-E306 PolarHBondContact O-N 3.2Å; S304-E306 PolarHBondContact OG-OE2 3.38Å; S304-W307 VanDerWaalsContact O-CD1 3.31Å; S304-W307 PolarHBondContact O-N 2.79Å
305S88.4Confident85.7Confident82 Ų8253.7 Ų53.757%0.57330%0.3SS*.G310 helixtrans-63.9-19.317748.20000113.9W307 D308S305-W307 PolarHBondContact O-N 3.01Å; S305-D308 WeakPolarHBondContact O-CB 3.28Å; S305-D308 PolarHBondContact O-N 3.48Å
306E88.9Confident85Confident41 Ų4160 Ų6019%0.19233%0.33CS..G310 helixtrans-58.4-28.3177.4-70.584.3152.900111.7Y277 A299 W300 S304 D308 E309Y277-E306 HydrophobicContact CE2-CB 4.13Å; Y277-E306 HydrophobicContact CE2-CG 4.4Å; Y277-E306 WeakPolarHBondContact CE2-O 3.45Å; A299-E306 WeakPolarHBondContact CA-OE1 3.31Å; A299-E306 VanDerWaalsContact CB-OE1 3.25Å; A299-E306 WeakPolarHBondContact CB-OE1 3.45Å; W300-E306 HydrophobicContact CD2-CB 4.02Å; W300-E306 HydrophobicContact CE3-CB 3.84Å; W300-E306 HydrophobicContact CH2-CB 3.91Å; W300-E306 HydrophobicContact CZ2-CB 4.09Å; W300-E306 HydrophobicContact CZ2-CG 4.47Å; W300-E306 HydrophobicContact CZ3-CB 3.78Å; S304-E306 WeakPolarHBondContact CB-OE2 3.37Å; S304-E306 PolarHBondContact O-N 3.2Å; S304-E306 PolarHBondContact OG-OE2 3.38Å; E306-D308 PolarHBondContact O-N 3.08Å; E306-E309 PolarHBondContact O-N 3.29Å
307W87.3Confident84Confident0 Ų065 Ų650%036%0.356CS..G310 helixtrans-70.1-15.7175.4-64.3124.1000114.6L284 W300 S301 S304 S305 E309 I310 R315 L318 L320 W328L284-W307 HydrophobicContact CD1-CH2 3.8Å; L284-W307 HydrophobicContact CD1-CZ3 4.11Å; W300-W307 HydrophobicContact CB-CZ2 4.13Å; W300-W307 AromaticContact CE3-CD2 3.91Å; W300-W307 HydrophobicContact CE3-CD2 3.91Å; W300-W307 AromaticContact CE3-CE2 3.95Å; W300-W307 AromaticContact CE3-CE3 3.74Å; W300-W307 HydrophobicContact CE3-CE3 3.74Å; W300-W307 AromaticContact CE3-CH2 3.72Å; W300-W307 HydrophobicContact CE3-CH2 3.72Å; W300-W307 AromaticContact CE3-CZ2 3.9Å; W300-W307 HydrophobicContact CE3-CZ2 3.9Å; W300-W307 AromaticContact CE3-CZ3 3.6Å; W300-W307 HydrophobicContact CE3-CZ3 3.6Å; W300-W307 HydrophobicContact CZ3-CD2 4.22Å; W300-W307 AromaticContact CZ3-CE3 3.73Å; W300-W307 HydrophobicContact CZ3-CE3 3.73Å; W300-W307 HydrophobicContact CZ3-CH2 4.33Å; W300-W307 AromaticContact CZ3-CZ3 3.74Å; W300-W307 HydrophobicContact CZ3-CZ3 3.74Å; W300-W307 WeakPolarHBondContact O-CZ2 3.29Å; W300-W307 PolarHBondContact O-NE1 2.82Å; S301-W307 VanDerWaalsContact O-CD1 3.27Å; S301-W307 PolarHBondContact O-NE1 3.24Å; S304-W307 VanDerWaalsContact O-CD1 3.31Å; S304-W307 PolarHBondContact O-N 2.79Å; S305-W307 PolarHBondContact O-N 3.01Å; W307-E309 VanDerWaalsContact C-N 3.27Å; W307-I310 HydrophobicContact CE3-CG1 4.06Å; W307-I310 HydrophobicContact CZ3-CG1 4.43Å; W307-R315 PolarHBondContact O-NH1 3.49Å; W307-L318 HydrophobicContact CE3-CD1 4.28Å; W307-L318 HydrophobicContact CH2-CD1 3.87Å; W307-L318 HydrophobicContact CZ3-CD1 3.39Å; W307-L320 HydrophobicContact CD2-CD1 4.12Å; W307-L320 HydrophobicContact CG-CD1 4.24Å; W307-L320 HydrophobicContact CH2-CD2 4.43Å; W307-L320 HydrophobicContact CZ2-CD2 3.77Å; W307-W328 HydrophobicContact CH2-CB 4.09Å; W307-W328 HydrophobicContact CH2-CG 4.04Å; W307-W328 HydrophobicContact CZ2-CB 3.77Å; W307-W328 AromaticContact CZ2-CD1 4Å; W307-W328 AromaticContact CZ2-CG 4Å; W307-W328 HydrophobicContact CZ2-CG 4Å
308D85.6Confident83Confident115 Ų11561.7 Ų61.762%0.61534%0.336SS*.G310 helixtrans-77.4-17.3-179.8-61.2-27.4000112.3S305 E306 R315S305-D308 WeakPolarHBondContact O-CB 3.28Å; S305-D308 PolarHBondContact O-N 3.48Å; E306-D308 PolarHBondContact O-N 3.08Å; D308-R315 IonicContact OD1-NH1 3.79Å; D308-R315 PolarHBondContact OD1-NH1 2.9Å
309E84.9Confident81.8Confident133 Ų13367.2 Ų67.262%0.62136%0.358SS*.G310 helixtrans-99.7-1.8178.7-60.8-71.2159.800112.9Y277 E306 W307Y277-E309 HydrophobicContact CD2-CB 3.96Å; Y277-E309 HydrophobicContact CE2-CB 3.65Å; Y277-E309 HydrophobicContact CE2-CG 4.03Å; E306-E309 PolarHBondContact O-N 3.29Å; W307-E309 VanDerWaalsContact C-N 3.27Å
310I84.5Confident80.4Confident8 Ų868.2 Ų68.24%0.04136%0.359CS..SBendtrans-88.2145.2173.7-61.1-57.2000109.2V275 D276 Y277 W300 W307 E314 R315V275-I310 HydrophobicContact CB-CD1 4.11Å; V275-I310 HydrophobicContact CG2-CD1 3.94Å; D276-I310 VanDerWaalsContact O-CD1 3.3Å; D276-I310 WeakPolarHBondContact O-CD1 3.29Å; Y277-I310 HydrophobicContact CD2-CD1 4.18Å; W300-I310 HydrophobicContact CH2-CD1 3.92Å; W300-I310 HydrophobicContact CH2-CG1 4.11Å; W300-I310 HydrophobicContact CZ3-CD1 4.07Å; W300-I310 HydrophobicContact CZ3-CG1 3.78Å; W307-I310 HydrophobicContact CE3-CG1 4.06Å; W307-I310 HydrophobicContact CZ3-CG1 4.43Å; I310-E314 HydrophobicContact CG2-CB 3.98Å; I310-R315 HydrophobicContact CG2-CB 4.5Å
311D81.1Confident79Confident87 Ų8770.5 Ų70.547%0.46538%0.377SS..  trans-57132.1175.9-173.9-83.9000110.6S313 E314 R315D311-S313 PolarHBondContact O-N 2.82Å; D311-S313 VanDerWaalsContact O-N 3.11Å; D311-S313 VanDerWaalsContact OD1-CB 3.32Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 3.13Å; D311-S313 PolarHBondContact OD1-OG 2.71Å; D311-E314 HydrophobicContact CB-CB 4.48Å; D311-E314 HydrophobicContact CB-CG 4.39Å; D311-E314 PolarHBondContact O-N 3.19Å; D311-R315 PolarHBondContact O-N 3.48Å
312P79.8Confident77.7Confident92 Ų9275.7 Ų75.760%0.59740%0.401SS*.Hα-helixtrans-55.3-31.7-177.9-28.535.5000114.5R315 E316P312-R315 PolarHBondContact O-N 3.12Å; P312-E316 PolarHBondContact O-N 2.71Å; P312-E316 VanDerWaalsContact O-N 3.13Å
313S78.1Confident76.8Confident73 Ų7383 Ų8351%0.5143%0.434SS..Hα-helixtrans-72.3-38.8177.767.20000112.5D311 R315 D317D311-S313 PolarHBondContact O-N 2.82Å; D311-S313 VanDerWaalsContact O-N 3.11Å; D311-S313 VanDerWaalsContact OD1-CB 3.32Å; D311-S313 WeakPolarHBondContact OD1-CB 3.45Å; D311-S313 PolarHBondContact OD1-N 3.13Å; D311-S313 PolarHBondContact OD1-OG 2.71Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 3.36Å; S313-D317 PolarHBondContact O-N 3.26Å
314E74.8Confident76.3Confident75 Ų7577.8 Ų77.835%0.3541%0.407SS..Hα-helixtrans-68.2-31.2172.3-68.4-167.8171.200111.8I310 D311 D317 L318I310-E314 HydrophobicContact CG2-CB 3.98Å; D311-E314 HydrophobicContact CB-CB 4.48Å; D311-E314 HydrophobicContact CB-CG 4.39Å; D311-E314 PolarHBondContact O-N 3.19Å; E314-D317 PolarHBondContact O-N 3.32Å; E314-L318 WeakPolarHBondContact O-CD1 3.45Å; E314-L318 VanDerWaalsContact O-CG 3.27Å; E314-L318 WeakPolarHBondContact O-CG 3.24Å; E314-L318 PolarHBondContact O-N 2.86Å
315R75.5Confident76Confident87 Ų8777.1 Ų77.133%0.32840%0.402SS..Hα-helixtrans-68.3-39177.6-174.2177.7173.8164.3-1.6113W307 D308 I310 D311 P312 S313 D317 L318 L320W307-R315 PolarHBondContact O-NH1 3.49Å; D308-R315 IonicContact OD1-NH1 3.79Å; D308-R315 PolarHBondContact OD1-NH1 2.9Å; I310-R315 HydrophobicContact CG2-CB 4.5Å; D311-R315 PolarHBondContact O-N 3.48Å; P312-R315 PolarHBondContact O-N 3.12Å; S313-R315 VanDerWaalsContact C-N 3.29Å; S313-R315 PolarHBondContact O-N 3.36Å; R315-D317 VanDerWaalsContact C-N 3.35Å; R315-L318 PolarHBondContact O-N 3.49Å; R315-L320 HydrophobicContact CG-CD1 3.66Å
316E72.7Confident76Confident159 Ų15973.6 Ų73.674%0.74338%0.376SS*.Hα-helixtrans-64.7-39.2175.5-76.7-179.4-179.300111.6P312 L318 H319P312-E316 PolarHBondContact O-N 2.71Å; P312-E316 VanDerWaalsContact O-N 3.13Å; E316-L318 PolarHBondContact O-N 2.96Å; E316-H319 PolarHBondContact O-N 3.16Å
317D70.9Confident76.2Confident108 Ų10871.7 Ų71.758%0.57837%0.367SS*.Hα-helixtrans-67-17.7178.1-76.2-9.2000114S313 E314 R315 H319S313-D317 PolarHBondContact O-N 3.26Å; E314-D317 PolarHBondContact O-N 3.32Å; R315-D317 VanDerWaalsContact C-N 3.35Å; D317-H319 VanDerWaalsContact C-N 3.27Å; D317-H319 PolarHBondContact O-CD2 3.41Å; D317-H319 VanDerWaalsContact O-CD2 3.3Å; D317-H319 PolarHBondContact O-N 3.09Å
318L71.3Confident76.5Confident3 Ų372 Ų722%0.01637%0.369CS..THydrogen-bonded Turntrans-83.1-1.9-178.6-74.4165000113.6K273 V275 W307 E314 R315 E316 L320 W328K273-L318 HydrophobicContact CB-CD2 3.99Å; K273-L318 HydrophobicContact CD-CD2 4.5Å; K273-L318 HydrophobicContact CG-CD2 3.92Å; V275-L318 HydrophobicContact CG1-CD1 4.33Å; W307-L318 HydrophobicContact CE3-CD1 4.28Å; W307-L318 HydrophobicContact CH2-CD1 3.87Å; W307-L318 HydrophobicContact CZ3-CD1 3.39Å; E314-L318 WeakPolarHBondContact O-CD1 3.45Å; E314-L318 VanDerWaalsContact O-CG 3.27Å; E314-L318 WeakPolarHBondContact O-CG 3.24Å; E314-L318 PolarHBondContact O-N 2.86Å; R315-L318 PolarHBondContact O-N 3.49Å; E316-L318 PolarHBondContact O-N 2.96Å; L318-L320 PolarHBondContact O-N 3.14Å; L318-W328 HydrophobicContact CB-CZ2 4.38Å; L318-W328 HydrophobicContact CD2-CD2 4.35Å; L318-W328 HydrophobicContact CD2-CH2 3.68Å; L318-W328 HydrophobicContact CD2-CZ2 3.33Å; L318-W328 HydrophobicContact CD2-CZ3 4.32Å; L318-W328 HydrophobicContact CG-CZ2 4.47Å; L318-W328 PolarHBondContact O-NE1 3.38Å
319H65.2Low76.9Confident129 Ų12966.6 Ų66.660%0.59734%0.34SS*.THydrogen-bonded Turntrans49.655.7177.1-63.7-79.1000113.1E316 D317 S321E316-H319 PolarHBondContact O-N 3.16Å; D317-H319 VanDerWaalsContact C-N 3.27Å; D317-H319 PolarHBondContact O-CD2 3.41Å; D317-H319 VanDerWaalsContact O-CD2 3.3Å; D317-H319 PolarHBondContact O-N 3.09Å; H319-S321 PolarHBondContact O-N 3.29Å
320L62.6Low77.4Confident51 Ų5161 Ų6127%0.26732%0.315SS..  trans-71.996.8174.4-62.1170.5000109.4W307 R315 L318W307-L320 HydrophobicContact CD2-CD1 4.12Å; W307-L320 HydrophobicContact CG-CD1 4.24Å; W307-L320 HydrophobicContact CH2-CD2 4.43Å; W307-L320 HydrophobicContact CZ2-CD2 3.77Å; R315-L320 HydrophobicContact CG-CD1 3.66Å; L318-L320 PolarHBondContact O-N 3.14Å
321S61.8Low77.9Confident60 Ų6061.6 Ų61.642%0.4232%0.318SS..  trans-108.6132.8172.1177.10000108H319 D324H319-S321 PolarHBondContact O-N 3.29Å; S321-D324 WeakPolarHBondContact CB-OD2 3.5Å; S321-D324 PolarHBondContact OG-OD2 3.23Å; S321-D324 VanDerWaalsContact OG-OD2 3.1Å
322M61.9Low78.5Confident126 Ų12661 Ų6162%0.62132%0.32SS*.SBendtrans-86.4137-174.5-69.4-175.5173.400111.5N303 D324N303-M322 VanDerWaalsContact OD1-CE 3.25Å; N303-M322 WeakPolarHBondContact OD1-CE 3.05Å; M322-D324 PolarHBondContact O-N 2.76Å
323E65.6Low79.3Confident165 Ų16557.7 Ų57.777%0.77130%0.298SS*.SBendtrans61.736.5169.9-59.6-164.1157.600115.1E295E295-E323 VanDerWaalsContact OE1-C 3.26Å; E295-E323 WeakPolarHBondContact OE1-CA 3.43Å; E295-E323 PolarHBondContact OE1-N 2.68Å
324D73.9Confident80.1Confident26 Ų2654.2 Ų54.214%0.13927%0.273CS..SBendtrans-106.85.1173.869.811.6000113.6T98 G292 E295 S321 M322 E326T98-D324 HydrophobicContact CG2-CB 4.15Å; G292-D324 VanDerWaalsContact C-C 3.49Å; G292-D324 CarbonylContact C-O 3.57Å; G292-D324 WeakPolarHBondContact CA-O 2.83Å; G292-D324 CarbonylContact O-C 3.52Å; G292-D324 VanDerWaalsContact O-C 3.28Å; E295-D324 PolarHBondContact OE1-N 3.42Å; S321-D324 WeakPolarHBondContact CB-OD2 3.5Å; S321-D324 PolarHBondContact OG-OD2 3.23Å; S321-D324 VanDerWaalsContact OG-OD2 3.1Å; M322-D324 PolarHBondContact O-N 2.76Å; D324-E326 VanDerWaalsContact C-N 3.31Å; D324-E326 WeakPolarHBondContact OD1-CA 3.46Å; D324-E326 WeakPolarHBondContact OD1-CB 3.03Å; D324-E326 PolarHBondContact OD1-N 2.84Å
325G81.4Confident81Confident0 Ų053.3 Ų53.30%027%0.271CS..SBendtrans84.9-5.7-177.800000114R288 N289 G292 E295R288-G325 CarbonylContact C-O 3.57Å; R288-G325 WeakPolarHBondContact CA-O 3.49Å; N289-G325 WeakPolarHBondContact CB-O 3.23Å; N289-G325 PolarHBondContact N-O 3.24Å; G292-G325 PolarHBondContact O-N 2.63Å; E295-G325 WeakPolarHBondContact OE1-CA 3.28Å; E295-G325 PolarHBondContact OE1-N 2.65Å
326E88.6Confident81.9Confident7 Ų758.1 Ų58.13%0.03329%0.289CS..EExtended strand (participates in β ladder)trans-91.4137.7176.6-168162.4-100.100111.4R97 T270 R286 I287 R288 D324R97-E326 IonicContact CZ-OE1 3.56Å; R97-E326 IonicContact CZ-OE2 3.12Å; R97-E326 IonicContact NE-OE1 3.57Å; R97-E326 PolarHBondContact NE-OE1 3.31Å; R97-E326 IonicContact NE-OE2 2.76Å; R97-E326 PolarHBondContact NE-OE2 3.27Å; R97-E326 IonicContact NH2-OE1 2.68Å; R97-E326 IonicContact NH2-OE2 2.91Å; R97-E326 PolarHBondContact NH2-OE2 3.48Å; T270-E326 WeakPolarHBondContact CB-OE1 3.24Å; T270-E326 WeakPolarHBondContact CG2-OE1 3.41Å; T270-E326 PolarHBondContact OG1-OE1 3.17Å; R286-E326 VanDerWaalsContact CD-OE2 3.24Å; R286-E326 WeakPolarHBondContact CD-OE2 3.43Å; R286-E326 HydrophobicContact CG-CG 3.54Å; R286-E326 IonicContact CZ-OE1 2.68Å; R286-E326 IonicContact CZ-OE2 2.94Å; R286-E326 VanDerWaalsContact CZ-OE2 3.32Å; R286-E326 IonicContact NE-OE1 3.58Å; R286-E326 PolarHBondContact NE-OE1 2.94Å; R286-E326 IonicContact NE-OE2 3.74Å; R286-E326 PolarHBondContact NE-OE2 2.73Å; R286-E326 IonicContact NH1-OE2 3Å; R286-E326 PolarHBondContact NH1-OE2 2.93Å; I287-E326 CarbonylContact O-C 3.32Å; I287-E326 WeakPolarHBondContact O-CA 3.39Å; R288-E326 HydrophobicContact CB-CB 4.36Å; R288-E326 HydrophobicContact CB-CG 4.39Å; R288-E326 HydrophobicContact CG-CB 4.31Å; D324-E326 VanDerWaalsContact C-N 3.31Å; D324-E326 WeakPolarHBondContact OD1-CA 3.46Å; D324-E326 WeakPolarHBondContact OD1-CB 3.03Å; D324-E326 PolarHBondContact OD1-N 2.84Å
327F91.8Very high83Confident1 Ų153.2 Ų53.20%0.00427%0.266CS..EExtended strand (participates in β ladder)trans-150.9153.8178.555.8-93.5000111.3L261 Y267 R286 I287 E295 W296 M329L261-F327 HydrophobicContact CD2-CE2 4.06Å; L261-F327 HydrophobicContact CD2-CZ 3.64Å; Y267-F327 HydrophobicContact CD1-CZ 4.42Å; Y267-F327 HydrophobicContact CE1-CE1 4.17Å; Y267-F327 HydrophobicContact CE1-CZ 4.21Å; R286-F327 WeakPolarHBondContact CA-O 3.5Å; I287-F327 HydrophobicContact CB-CD2 4.38Å; I287-F327 HydrophobicContact CB-CE2 3.81Å; I287-F327 HydrophobicContact CB-CZ 3.94Å; I287-F327 HydrophobicContact CD1-CE2 4.39Å; I287-F327 HydrophobicContact CG2-CE1 4.48Å; I287-F327 HydrophobicContact CG2-CE2 4.22Å; I287-F327 HydrophobicContact CG2-CZ 3.86Å; I287-F327 PolarHBondContact N-O 3.33Å; I287-F327 PolarHBondContact O-N 3.11Å; E295-F327 HydrophobicContact CB-CB 4.38Å; E295-F327 HydrophobicContact CB-CD1 4.01Å; E295-F327 HydrophobicContact CG-CD1 4.07Å; W296-F327 HydrophobicContact CB-CB 4.2Å; W296-F327 HydrophobicContact CB-CD1 4.19Å; W296-F327 HydrophobicContact CB-CD2 3.27Å; W296-F327 HydrophobicContact CB-CE1 4.42Å; W296-F327 HydrophobicContact CB-CE2 3.57Å; W296-F327 HydrophobicContact CB-CG 3.62Å; W296-F327 HydrophobicContact CB-CZ 4.14Å; W296-F327 HydrophobicContact CG-CD2 4.06Å; W296-F327 HydrophobicContact CG-CE2 4.35Å; F327-M329 HydrophobicContact CE2-SD 4.35Å
328W93.6Very high84.1Confident8 Ų848.2 Ų48.23%0.0324%0.239CC..EExtended strand (participates in β ladder)trans-94.1150.4169.7-68.791.8000111.2A271 K273 L284 I285 R286 W300 W307 L318A271-W328 HydrophobicContact CB-CH2 3.71Å; A271-W328 HydrophobicContact CB-CZ2 4.28Å; A271-W328 HydrophobicContact CB-CZ3 4.41Å; K273-W328 HydrophobicContact CB-CH2 3.8Å; K273-W328 HydrophobicContact CB-CZ3 3.85Å; L284-W328 HydrophobicContact CB-CE3 3.66Å; L284-W328 HydrophobicContact CB-CZ3 4Å; I285-W328 WeakPolarHBondContact O-CA 3.23Å; R286-W328 HydrophobicContact CB-CD2 3.77Å; R286-W328 HydrophobicContact CB-CE3 3.72Å; R286-W328 HydrophobicContact CB-CG 4.48Å; R286-W328 HydrophobicContact CB-CH2 3.87Å; R286-W328 HydrophobicContact CB-CZ2 3.89Å; R286-W328 HydrophobicContact CB-CZ3 3.78Å; R286-W328 HydrophobicContact CG-CD2 4.02Å; R286-W328 HydrophobicContact CG-CE3 4.47Å; R286-W328 HydrophobicContact CG-CG 4.34Å; R286-W328 HydrophobicContact CG-CZ2 4.18Å; W300-W328 CarbonylContact C-O 3.35Å; W300-W328 HydrophobicContact CB-CB 4.35Å; W307-W328 HydrophobicContact CH2-CB 4.09Å; W307-W328 HydrophobicContact CH2-CG 4.04Å; W307-W328 HydrophobicContact CZ2-CB 3.77Å; W307-W328 AromaticContact CZ2-CD1 4Å; W307-W328 AromaticContact CZ2-CG 4Å; W307-W328 HydrophobicContact CZ2-CG 4Å; L318-W328 HydrophobicContact CB-CZ2 4.38Å; L318-W328 HydrophobicContact CD2-CD2 4.35Å; L318-W328 HydrophobicContact CD2-CH2 3.68Å; L318-W328 HydrophobicContact CD2-CZ2 3.33Å; L318-W328 HydrophobicContact CD2-CZ3 4.32Å; L318-W328 HydrophobicContact CG-CZ2 4.47Å; L318-W328 PolarHBondContact O-NE1 3.38Å
329M95.3Very high85.2Confident0 Ų048.5 Ų48.50%024%0.241CC..EExtended strand (participates in β ladder)trans-147.2161.8167.870.2-175.1-39.400111L284 I285 I287 W296 F327 D333 F334 Q337 F338L284-M329 WeakPolarHBondContact CA-O 3.39Å; I285-M329 HydrophobicContact CG2-CG 3.73Å; I285-M329 PolarHBondContact N-O 3.24Å; I285-M329 PolarHBondContact O-N 3.36Å; I287-M329 HydrophobicContact CD1-CG 4.26Å; I287-M329 HydrophobicContact CD1-SD 3.57Å; I287-M329 VanDerWaalsContact CD1-SD 3.57Å; W296-M329 HydrophobicContact CD2-CE 4.15Å; W296-M329 HydrophobicContact CE3-CE 4.17Å; W296-M329 HydrophobicContact CH2-CE 3.84Å; W296-M329 HydrophobicContact CZ2-CE 3.87Å; W296-M329 HydrophobicContact CZ3-CE 4.01Å; F327-M329 HydrophobicContact CE2-SD 4.35Å; M329-D333 HydrophobicContact CE-CB 3.69Å; M329-F334 HydrophobicContact CG-CB 4.3Å; M329-F334 HydrophobicContact SD-CB 4.02Å; M329-Q337 HydrophobicContact CE-CG 4.16Å; M329-F338 HydrophobicContact CE-CE2 4.44Å; M329-F338 HydrophobicContact SD-CD2 4.28Å; M329-F338 HydrophobicContact SD-CE2 3.74Å
330S95.4Very high86.5Confident16 Ų1646.3 Ų46.311%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-65142.5172.981.90000110.6S332 D333 F334S330-S332 PolarHBondContact O-N 3.33Å; S330-S332 VanDerWaalsContact O-N 3.17Å; S330-D333 PolarHBondContact O-N 3.44Å; S330-D333 WeakPolarHBondContact OG-CB 3.29Å; S330-D333 VanDerWaalsContact OG-CG 3.28Å; S330-D333 PolarHBondContact OG-N 3.02Å; S330-D333 PolarHBondContact OG-OD2 3.1Å; S330-F334 PolarHBondContact O-N 2.93Å
331F95.2Very high88Confident21 Ų2143.9 Ų43.99%0.09222%0.215CC..Hα-helixtrans-60-30177.1-169-108.2000111.9L227 Y228 I231 R283 I285 F334 L335L227-F331 HydrophobicContact CB-CZ 4.43Å; L227-F331 HydrophobicContact CD2-CZ 4.34Å; L227-F331 HydrophobicContact CG-CZ 4.31Å; Y228-F331 HydrophobicContact CD2-CB 4.44Å; Y228-F331 HydrophobicContact CD2-CD1 4.14Å; Y228-F331 AromaticContact CD2-CD2 3.83Å; Y228-F331 HydrophobicContact CD2-CD2 3.83Å; Y228-F331 HydrophobicContact CD2-CE1 4.35Å; Y228-F331 HydrophobicContact CD2-CE2 4.07Å; Y228-F331 AromaticContact CD2-CG 3.87Å; Y228-F331 HydrophobicContact CD2-CG 3.87Å; Y228-F331 HydrophobicContact CD2-CZ 4.31Å; Y228-F331 HydrophobicContact CE2-CD2 4.49Å; I231-F331 HydrophobicContact CD1-CE2 3.82Å; I231-F331 HydrophobicContact CD1-CZ 4.23Å; R283-F331 HydrophobicContact CB-CB 4Å; R283-F331 PolarHBondContact O-N 3.37Å; I285-F331 HydrophobicContact CB-CD2 4.44Å; I285-F331 HydrophobicContact CD1-CD2 4.48Å; I285-F331 HydrophobicContact CG2-CD2 4.47Å; F331-F334 HydrophobicContact CD2-CD1 4.05Å; F331-F334 AromaticContact CE2-CD1 3.83Å; F331-F334 HydrophobicContact CE2-CD1 3.83Å; F331-F334 HydrophobicContact CE2-CE1 4.2Å; F331-F334 WeakPolarHBondContact O-CB 3.38Å; F331-F334 PolarHBondContact O-N 3.28Å; F331-L335 HydrophobicContact CD1-CD1 4.15Å; F331-L335 HydrophobicContact CD1-CG 4.41Å; F331-L335 HydrophobicContact CE1-CD1 3.86Å; F331-L335 HydrophobicContact CE1-CD2 4.34Å; F331-L335 HydrophobicContact CE1-CG 4.13Å; F331-L335 HydrophobicContact CZ-CD2 4.28Å; F331-L335 HydrophobicContact CZ-CG 4.47Å; F331-L335 WeakPolarHBondContact O-CG 3.14Å; F331-L335 PolarHBondContact O-N 2.77Å; F331-L335 VanDerWaalsContact O-N 3.13Å
332S93.8Very high89.4Confident73 Ų7341.3 Ų41.351%0.5120%0.196SC..Hα-helixtrans-67.1-39.1174.3-67.60000112.7S330 R336S330-S332 PolarHBondContact O-N 3.33Å; S330-S332 VanDerWaalsContact O-N 3.17Å; S332-R336 VanDerWaalsContact O-CG 3.3Å; S332-R336 WeakPolarHBondContact O-CG 3.35Å; S332-R336 PolarHBondContact O-N 3.23Å
333D95.3Very high90.8Very high24 Ų2435.4 Ų35.413%0.12817%0.167CC..Hα-helixtrans-70.9-38.1174.2-73.9-50.8000111.1W296 M329 S330 L335 R336 Q337W296-D333 HydrophobicContact CH2-CB 4.44Å; W296-D333 HydrophobicContact CZ2-CB 4.3Å; M329-D333 HydrophobicContact CE-CB 3.69Å; S330-D333 PolarHBondContact O-N 3.44Å; S330-D333 WeakPolarHBondContact OG-CB 3.29Å; S330-D333 VanDerWaalsContact OG-CG 3.28Å; S330-D333 PolarHBondContact OG-N 3.02Å; S330-D333 PolarHBondContact OG-OD2 3.1Å; D333-L335 PolarHBondContact O-N 3.4Å; D333-R336 PolarHBondContact O-N 2.71Å; D333-Q337 WeakPolarHBondContact O-CB 3.31Å; D333-Q337 VanDerWaalsContact O-CG 3.31Å; D333-Q337 WeakPolarHBondContact O-CG 3.47Å; D333-Q337 PolarHBondContact O-N 3.03Å
334F95.9Very high91.9Very high0 Ų027.5 Ų27.50%013%0.13CC..Hα-helixtrans-52.8-52.6173.6170.1-109.3000111.8L220 C243 I285 I287 M329 S330 F331 R336 Q337 F338 L341L220-F334 HydrophobicContact CD1-CD1 4.48Å; L220-F334 HydrophobicContact CD1-CE1 3.78Å; L220-F334 HydrophobicContact CD1-CE2 4.04Å; L220-F334 HydrophobicContact CD1-CZ 3.53Å; L220-F334 HydrophobicContact CD2-CE1 3.89Å; L220-F334 HydrophobicContact CD2-CZ 4.2Å; C243-F334 HydrophobicContact CB-CE2 3.88Å; C243-F334 HydrophobicContact CB-CZ 4.18Å; I285-F334 HydrophobicContact CD1-CD1 4.02Å; I285-F334 HydrophobicContact CD1-CD2 4.18Å; I285-F334 HydrophobicContact CD1-CE1 4.05Å; I285-F334 HydrophobicContact CD1-CE2 4.21Å; I285-F334 HydrophobicContact CD1-CG 4.08Å; I285-F334 HydrophobicContact CD1-CZ 4.14Å; I285-F334 HydrophobicContact CG2-CB 3.67Å; I285-F334 HydrophobicContact CG2-CD2 4.45Å; I285-F334 HydrophobicContact CG2-CG 4.02Å; I287-F334 HydrophobicContact CD1-CD2 3.63Å; I287-F334 HydrophobicContact CD1-CE2 4.07Å; M329-F334 HydrophobicContact CG-CB 4.3Å; M329-F334 HydrophobicContact SD-CB 4.02Å; S330-F334 PolarHBondContact O-N 2.93Å; F331-F334 HydrophobicContact CD2-CD1 4.05Å; F331-F334 AromaticContact CE2-CD1 3.83Å; F331-F334 HydrophobicContact CE2-CD1 3.83Å; F331-F334 HydrophobicContact CE2-CE1 4.2Å; F331-F334 WeakPolarHBondContact O-CB 3.38Å; F331-F334 PolarHBondContact O-N 3.28Å; F334-R336 PolarHBondContact O-N 3.18Å; F334-R336 VanDerWaalsContact O-N 3.16Å; F334-Q337 PolarHBondContact O-N 3.41Å; F334-F338 HydrophobicContact CD2-CB 3.97Å; F334-F338 AromaticContact CD2-CD2 3.45Å; F334-F338 HydrophobicContact CD2-CD2 3.45Å; F334-F338 VanDerWaalsContact CD2-CD2 3.45Å; F334-F338 HydrophobicContact CD2-CE2 4.09Å; F334-F338 AromaticContact CD2-CG 3.77Å; F334-F338 HydrophobicContact CD2-CG 3.77Å; F334-F338 HydrophobicContact CE2-CB 3.78Å; F334-F338 HydrophobicContact CE2-CD1 4.26Å; F334-F338 AromaticContact CE2-CD2 3.9Å; F334-F338 HydrophobicContact CE2-CD2 3.9Å; F334-F338 AromaticContact CE2-CG 3.71Å; F334-F338 HydrophobicContact CE2-CG 3.71Å; F334-F338 HydrophobicContact CG-CD2 4.46Å; F334-F338 HydrophobicContact CZ-CB 4.48Å; F334-F338 WeakPolarHBondContact O-CB 3.41Å; F334-F338 PolarHBondContact O-N 3.37Å; F334-L341 HydrophobicContact CZ-CD1 4.18Å
335L94.4Very high92.3Very high56 Ų5627.5 Ų27.529%0.29313%0.13SC..Hα-helixtrans-61.1-24.9177.3-65.9178.7000114L220 A223 L227 F331 D333L220-L335 HydrophobicContact CB-CD2 4.36Å; L220-L335 HydrophobicContact CD2-CD2 4.01Å; A223-L335 HydrophobicContact CB-CD2 4.22Å; L227-L335 HydrophobicContact CD2-CD2 4.05Å; F331-L335 HydrophobicContact CD1-CD1 4.15Å; F331-L335 HydrophobicContact CD1-CG 4.41Å; F331-L335 HydrophobicContact CE1-CD1 3.86Å; F331-L335 HydrophobicContact CE1-CD2 4.34Å; F331-L335 HydrophobicContact CE1-CG 4.13Å; F331-L335 HydrophobicContact CZ-CD2 4.28Å; F331-L335 HydrophobicContact CZ-CG 4.47Å; F331-L335 WeakPolarHBondContact O-CG 3.14Å; F331-L335 PolarHBondContact O-N 2.77Å; F331-L335 VanDerWaalsContact O-N 3.13Å; D333-L335 PolarHBondContact O-N 3.4Å
336R93.6Very high92Very high188 Ų18828.2 Ų28.271%0.70913%0.134SC*.Hα-helixtrans-87.5-36.3179.9-72.7172.7-178.6174.51.8113S332 D333 F334S332-R336 VanDerWaalsContact O-CG 3.3Å; S332-R336 WeakPolarHBondContact O-CG 3.35Å; S332-R336 PolarHBondContact O-N 3.23Å; D333-R336 PolarHBondContact O-N 2.71Å; F334-R336 PolarHBondContact O-N 3.18Å; F334-R336 VanDerWaalsContact O-N 3.16Å
337Q94.8Very high91Very high55 Ų5528.1 Ų28.126%0.25713%0.134SC..Hα-helixtrans-90.4-39.6-174.8-58.9-50.3-48.500112.1L261 W296 M329 D333 F334L261-Q337 HydrophobicContact CD1-CB 3.65Å; L261-Q337 HydrophobicContact CD1-CG 3.95Å; W296-Q337 HydrophobicContact CH2-CG 3.96Å; W296-Q337 HydrophobicContact CZ3-CG 3.95Å; M329-Q337 HydrophobicContact CE-CG 4.16Å; D333-Q337 WeakPolarHBondContact O-CB 3.31Å; D333-Q337 VanDerWaalsContact O-CG 3.31Å; D333-Q337 WeakPolarHBondContact O-CG 3.47Å; D333-Q337 PolarHBondContact O-N 3.03Å; F334-Q337 PolarHBondContact O-N 3.41Å
338F95.3Very high89.3Confident3 Ų330.1 Ų30.11%0.01315%0.151CC..  trans-88.8153.1-178.6-71.1-98.4000111.7L220 C243 I245 L261 Y267 I287 M329 F334L220-F338 HydrophobicContact CD1-CB 3.44Å; L220-F338 VanDerWaalsContact CD1-CB 3.44Å; C243-F338 HydrophobicContact CB-CD1 3.92Å; C243-F338 HydrophobicContact CB-CE1 4.36Å; C243-F338 WeakPolarHBondContact SG-CE1 3.39Å; I245-F338 HydrophobicContact CD1-CD1 4.43Å; I245-F338 HydrophobicContact CD1-CE1 4.29Å; I245-F338 HydrophobicContact CD1-CZ 4.47Å; I245-F338 HydrophobicContact CG1-CD1 3.74Å; I245-F338 HydrophobicContact CG1-CE1 3.97Å; I245-F338 HydrophobicContact CG1-CG 4.19Å; L261-F338 HydrophobicContact CD1-CE2 4.2Å; L261-F338 HydrophobicContact CD2-CE2 4.46Å; L261-F338 HydrophobicContact CD2-CZ 4.31Å; Y267-F338 AromaticContact CD2-CE1 3.73Å; Y267-F338 HydrophobicContact CD2-CE1 3.73Å; Y267-F338 HydrophobicContact CD2-CZ 4.33Å; Y267-F338 HydrophobicContact CE2-CE1 4.26Å; Y267-F338 HydrophobicContact CG-CE1 4.02Å; Y267-F338 HydrophobicContact CG-CZ 4.39Å; I287-F338 HydrophobicContact CD1-CD2 4.22Å; I287-F338 HydrophobicContact CD1-CE1 4.44Å; I287-F338 HydrophobicContact CD1-CE2 3.54Å; I287-F338 HydrophobicContact CD1-CZ 3.66Å; I287-F338 HydrophobicContact CG2-CZ 4.17Å; M329-F338 HydrophobicContact CE-CE2 4.44Å; M329-F338 HydrophobicContact SD-CD2 4.28Å; M329-F338 HydrophobicContact SD-CE2 3.74Å; F334-F338 HydrophobicContact CD2-CB 3.97Å; F334-F338 AromaticContact CD2-CD2 3.45Å; F334-F338 HydrophobicContact CD2-CD2 3.45Å; F334-F338 VanDerWaalsContact CD2-CD2 3.45Å; F334-F338 HydrophobicContact CD2-CE2 4.09Å; F334-F338 AromaticContact CD2-CG 3.77Å; F334-F338 HydrophobicContact CD2-CG 3.77Å; F334-F338 HydrophobicContact CE2-CB 3.78Å; F334-F338 HydrophobicContact CE2-CD1 4.26Å; F334-F338 AromaticContact CE2-CD2 3.9Å; F334-F338 HydrophobicContact CE2-CD2 3.9Å; F334-F338 AromaticContact CE2-CG 3.71Å; F334-F338 HydrophobicContact CE2-CG 3.71Å; F334-F338 HydrophobicContact CG-CD2 4.46Å; F334-F338 HydrophobicContact CZ-CB 4.48Å; F334-F338 WeakPolarHBondContact O-CB 3.41Å; F334-F338 PolarHBondContact O-N 3.37Å
339S94.1Very high87.4Confident10 Ų1034.4 Ų34.47%0.0717%0.174CC..  trans-105.1-38.6-177.1-56.70000111.9L220 S244 D246L220-S339 PolarHBondContact N-O 3.36Å; S244-S339 PolarHBondContact O-N 2.81Å; D246-S339 PolarHBondContact N-OG 2.73Å; D246-S339 VanDerWaalsContact N-OG 3.09Å
340R92.8Very high85.4Confident82 Ų8235.9 Ų35.931%0.30918%0.183SC..EExtended strand (participates in β ladder)trans-135144.8-171.4-66.4161.1176.8-143.20.3110.8M217 Y218 C243 S244 D246M217-R340 HydrophobicContact CE-CB 3.92Å; M217-R340 HydrophobicContact CE-CG 3.64Å; Y218-R340 WeakPolarHBondContact O-CA 3.26Å; C243-R340 VanDerWaalsContact CA-O 3.28Å; C243-R340 WeakPolarHBondContact CA-O 3.44Å; C243-R340 WeakPolarHBondContact CB-O 3.18Å; S244-R340 PolarHBondContact N-O 3.21Å; S244-R340 VanDerWaalsContact N-O 3.08Å; S244-R340 PolarHBondContact O-N 3.12Å; D246-R340 WeakPolarHBondContact OD1-CD 3.27Å; D246-R340 IonicContact OD1-CZ 3.39Å; D246-R340 IonicContact OD1-NE 3.98Å; D246-R340 PolarHBondContact OD1-NE 3.23Å; D246-R340 IonicContact OD1-NH2 3.19Å; D246-R340 IonicContact OD2-CZ 2.71Å; D246-R340 IonicContact OD2-NE 3.8Å; D246-R340 PolarHBondContact OD2-NE 2.92Å; D246-R340 IonicContact OD2-NH2 3.65Å
341L93.6Very high83.3Confident0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-123.7134.8168.1172.780.8000108.3M217 Y218 L220 L227 I231 G242 C243 V269 F334 I343M217-L341 WeakPolarHBondContact CA-O 3.48Å; Y218-L341 HydrophobicContact CD2-CD2 4.23Å; Y218-L341 PolarHBondContact N-O 3.08Å; Y218-L341 PolarHBondContact O-N 2.91Å; L220-L341 HydrophobicContact CD2-CB 3.77Å; L220-L341 HydrophobicContact CG-CB 4.3Å; L227-L341 HydrophobicContact CD1-CD2 3.83Å; L227-L341 HydrophobicContact CD2-CD2 4.37Å; L227-L341 HydrophobicContact CG-CD2 4.41Å; I231-L341 HydrophobicContact CD1-CD1 4.44Å; I231-L341 HydrophobicContact CD1-CD2 3.65Å; I231-L341 HydrophobicContact CG1-CD2 3.69Å; G242-L341 WeakPolarHBondContact O-CD1 3.49Å; C243-L341 HydrophobicContact CB-CD1 4.43Å; V269-L341 HydrophobicContact CG2-CD1 4.07Å; F334-L341 HydrophobicContact CZ-CD1 4.18Å; L341-I343 HydrophobicContact CD2-CD1 3.97Å; L341-I343 HydrophobicContact CD2-CG1 4.1Å; L341-I343 HydrophobicContact CG-CG1 4.11Å
342E92.2Very high80.9Confident6 Ų641.8 Ų41.83%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-119.5126.3-178.9-68.9160.8-149.900107.5T203 T204 F207 E216 M217 L241 G242T203-E342 WeakPolarHBondContact CB-OE2 3.32Å; T203-E342 PolarHBondContact N-OE2 3.46Å; T203-E342 PolarHBondContact OG1-OE2 2.85Å; T204-E342 HydrophobicContact CG2-CB 3.72Å; T204-E342 HydrophobicContact CG2-CG 3.67Å; T204-E342 PolarHBondContact N-OE2 2.83Å; F207-E342 HydrophobicContact CE2-CB 4.45Å; E216-E342 WeakPolarHBondContact O-CA 3.13Å; M217-E342 HydrophobicContact CG-CG 4.4Å; L241-E342 WeakPolarHBondContact CA-O 3.23Å; G242-E342 PolarHBondContact N-O 3.45Å; G242-E342 PolarHBondContact O-N 3.24Å
343I89.6Confident78.7Confident2 Ų247 Ų471%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-124.6117.7178.9-52.3-173.6000108S215 E216 Y218 I230 A234 L241 L341S215-I343 CarbonylContact C-O 3.47Å; S215-I343 WeakPolarHBondContact CA-O 3.48Å; E216-I343 PolarHBondContact N-O 2.98Å; E216-I343 PolarHBondContact O-N 2.96Å; Y218-I343 HydrophobicContact CD2-CD1 4.22Å; Y218-I343 HydrophobicContact CD2-CG1 4.36Å; Y218-I343 HydrophobicContact CE2-CD1 3.77Å; Y218-I343 HydrophobicContact CE2-CG1 4.16Å; I230-I343 HydrophobicContact CG2-CD1 4.01Å; A234-I343 HydrophobicContact CB-CD1 4.38Å; A234-I343 HydrophobicContact CB-CG2 3.8Å; L241-I343 HydrophobicContact CD1-CG2 4.33Å; L241-I343 HydrophobicContact CD2-CD1 4.42Å; L241-I343 HydrophobicContact CD2-CG1 4.33Å; L241-I343 HydrophobicContact CG-CG1 4.13Å; L241-I343 HydrophobicContact CG-CG2 4.22Å; L341-I343 HydrophobicContact CD2-CD1 3.97Å; L341-I343 HydrophobicContact CD2-CG1 4.1Å; L341-I343 HydrophobicContact CG-CG1 4.11Å
344C90Very high76.4Confident0 Ų053 Ų530%027%0.269CS..EExtended strand (participates in β ladder)trans-96.6108.9171.3-1670000109.9F207 V214 S239 L240F207-C344 HydrophobicContact CB-CB 3.37Å; F207-C344 HydrophobicContact CD2-CB 3.82Å; F207-C344 HydrophobicContact CG-CB 3.85Å; V214-C344 CarbonylContact O-C 3.19Å; V214-C344 WeakPolarHBondContact O-CA 3.5Å; S239-C344 WeakPolarHBondContact CA-O 3.23Å; S239-C344 VanDerWaalsContact CB-O 3.22Å; S239-C344 WeakPolarHBondContact CB-O 3.43Å; L240-C344 HydrophobicContact CB-CB 4.3Å; L240-C344 PolarHBondContact N-O 2.95Å; L240-C344 VanDerWaalsContact N-O 3.08Å; L240-C344 PolarHBondContact O-N 3.13Å
345N81.4Confident73.8Confident25 Ų2557.8 Ų57.813%0.13430%0.302CS..EExtended strand (participates in β ladder)trans-84.7136.9177.4-67.8-42.4000110.2G213 V214 E216 S239G213-N345 CarbonylContact C-O 3.19Å; G213-N345 WeakPolarHBondContact CA-O 3.34Å; V214-N345 HydrophobicContact CG1-CB 4.37Å; V214-N345 PolarHBondContact N-O 3.33Å; V214-N345 PolarHBondContact O-N 2.61Å; E216-N345 PolarHBondContact OE1-ND2 2.78Å; S239-N345 PolarHBondContact OG-OD1 3.2Å
346L76.1Confident71.6Confident15 Ų1560.5 Ų60.58%0.07932%0.316CS..PPolyproline II helixtrans-79.3141.2180-50.6179.9000110.2L123 T211 V350 L351L123-L346 HydrophobicContact CD1-CD1 3.79Å; L123-L346 HydrophobicContact CD1-CD2 3.68Å; L123-L346 HydrophobicContact CD1-CG 4.39Å; L123-L346 HydrophobicContact CD2-CD2 4.39Å; L123-L346 HydrophobicContact CG-CD1 4.45Å; T211-L346 HydrophobicContact CG2-CD2 3.76Å; L346-V350 HydrophobicContact CB-CB 4.19Å; L346-V350 HydrophobicContact CB-CG1 4.11Å; L346-V350 HydrophobicContact CD1-CG1 4.03Å; L346-V350 HydrophobicContact CD2-CG1 4.24Å; L346-V350 HydrophobicContact CG-CG1 4.34Å; L346-L351 HydrophobicContact CB-CD1 4.24Å; L346-L351 HydrophobicContact CB-CG 4.23Å; L346-L351 HydrophobicContact CD1-CD2 3.94Å; L346-L351 HydrophobicContact CD1-CG 4.33Å
347T66.8Low69.6Low5 Ų554.5 Ų54.53%0.03130%0.304CS..PPolyproline II helixtrans-84.4166.6174.257.70000110.7D349 V350 F505T347-D349 PolarHBondContact O-N 3.15Å; T347-D349 VanDerWaalsContact O-N 3.15Å; T347-V350 WeakPolarHBondContact O-CB 3.35Å; T347-V350 PolarHBondContact O-N 2.9Å; T347-F505 HydrophobicContact CG2-CD1 4.25Å; T347-F505 HydrophobicContact CG2-CE1 3.5Å; T347-F505 HydrophobicContact CG2-CZ 4.37Å
348A56.8Low67.8Low43 Ų4357.8 Ų57.836%0.35532%0.319SS..THydrogen-bonded Turntrans-55.8-30.2176.400000112.9V350 L351 H358A348-V350 PolarHBondContact O-N 3.5Å; A348-V350 VanDerWaalsContact O-N 3.07Å; A348-L351 PolarHBondContact O-N 3.48Å; A348-H358 HydrophobicContact CB-CB 4.38Å
349D53.5Low66.4Low99 Ų9959.4 Ų59.453%0.52933%0.325SS..THydrogen-bonded Turntrans-60.4-16.7177.1-58.4-21.3000113.8T347 K363T347-D349 PolarHBondContact O-N 3.15Å; T347-D349 VanDerWaalsContact O-N 3.15Å; D349-K363 IonicContact OD2-NZ 3.33Å; D349-K363 PolarHBondContact OD2-NZ 3.17Å
350V52.4Low65.4Low30 Ų3061.8 Ų61.818%0.18234%0.337CS..THydrogen-bonded Turntrans-106-29.5-172.8178.10000112.3L123 T211 L346 T347 A348L123-V350 HydrophobicContact CD2-CG1 3.23Å; L123-V350 HydrophobicContact CG-CG1 4.17Å; T211-V350 WeakPolarHBondContact O-CG2 3.44Å; L346-V350 HydrophobicContact CB-CB 4.19Å; L346-V350 HydrophobicContact CB-CG1 4.11Å; L346-V350 HydrophobicContact CD1-CG1 4.03Å; L346-V350 HydrophobicContact CD2-CG1 4.24Å; L346-V350 HydrophobicContact CG-CG1 4.34Å; T347-V350 WeakPolarHBondContact O-CB 3.35Å; T347-V350 PolarHBondContact O-N 2.9Å; A348-V350 PolarHBondContact O-N 3.5Å; A348-V350 VanDerWaalsContact O-N 3.07Å
351L51.3Low64.7Low81 Ų8159.5 Ų59.542%0.42433%0.332SS..  trans-99.594-175.7-68.2171.8000109.8L346 A348 E353L346-L351 HydrophobicContact CB-CD1 4.24Å; L346-L351 HydrophobicContact CB-CG 4.23Å; L346-L351 HydrophobicContact CD1-CD2 3.94Å; L346-L351 HydrophobicContact CD1-CG 4.33Å; A348-L351 PolarHBondContact O-N 3.48Å; L351-E353 PolarHBondContact O-N 3.1Å
352S45.6Very low64.1Low81 Ų8161.2 Ų61.257%0.56634%0.34SS*.  trans-74.2111.8170.264.30000110.6
353E47Very low63.8Low181 Ų18164.2 Ų64.285%0.84635%0.353SS*.SBendtrans68.7134.3166.7-67.2-177.3162.700119.2L351L351-E353 PolarHBondContact O-N 3.1Å
354D48Very low63.7Low151 Ų15165.4 Ų65.481%0.80736%0.358SS*.SBendtrans66.8106.7163.4-74-18.8000120.1
355S41.7Very low63.7Low101 Ų10169.1 Ų69.171%0.70637%0.373SS*.  trans89.5118.5159.576.10000117.4
356L46.6Very low64.1Low112 Ų11268.3 Ų68.359%0.58637%0.37SS*.SBendtrans109.4128.2157.5-55.1160.4000115.9H358L356-H358 PolarHBondContact O-N 2.91Å
357S52.2Low64.8Low63 Ų6368.9 Ų68.944%0.44137%0.374SS..  trans-1.8102.8169.5173.40000114.8E507S357-E507 PolarHBondContact OG-OE1 3.45Å
358H57.4Low66.1Low124 Ų12468.7 Ų68.757%0.57437%0.373SS*.PPolyproline II helixtrans-81.7121.7176.7-61-60.1000109.6A348 L356 N360A348-H358 HydrophobicContact CB-CB 4.38Å; L356-H358 PolarHBondContact O-N 2.91Å; H358-N360 PolarHBondContact O-N 3.12Å
359W65.8Low67.7Low36 Ų3670.6 Ų70.614%0.13637%0.371CS..PPolyproline II helixtrans-66.8117.3165.6-71.894.7000109.4T361 R477 F505 T506 E507W359-T361 PolarHBondContact O-N 3.23Å; W359-T361 PolarHBondContact O-OG1 3.03Å; W359-R477 VanDerWaalsContact CZ2-NH1 3.27Å; W359-F505 HydrophobicContact CB-CB 4.25Å; W359-F505 HydrophobicContact CB-CD1 4.3Å; W359-F505 HydrophobicContact CD2-CB 4.1Å; W359-F505 HydrophobicContact CE3-CB 3.55Å; W359-F505 HydrophobicContact CG-CB 4.4Å; W359-F505 HydrophobicContact CZ3-CB 4.31Å; W359-F505 WeakPolarHBondContact CZ3-O 3.35Å; W359-T506 CarbonylContact C-O 3.57Å; W359-T506 WeakPolarHBondContact CA-O 3.44Å; W359-T506 VanDerWaalsContact CE3-C 3.45Å; W359-E507 HydrophobicContact CH2-CB 4.42Å; W359-E507 HydrophobicContact CZ3-CB 4.29Å
360N72.3Confident69.3Low61 Ų6172.6 Ų72.633%0.32637%0.371SS..EExtended strand (participates in β ladder)trans-68.1128.7165.1-175.44.9000108.1H358 F505 T506H358-N360 PolarHBondContact O-N 3.12Å; N360-F505 CarbonylContact O-C 3.43Å; N360-F505 VanDerWaalsContact O-CA 3.23Å; N360-F505 WeakPolarHBondContact O-CA 3.47Å; N360-T506 PolarHBondContact N-O 3.49Å; N360-T506 PolarHBondContact O-N 2.91Å
361T78.2Confident70.7Confident33 Ų3371.6 Ų71.620%0.20237%0.367CS..EExtended strand (participates in β ladder)trans-117.7126.6-171.6-58.30000110.6W359 K363 F505W359-T361 PolarHBondContact O-N 3.23Å; W359-T361 PolarHBondContact O-OG1 3.03Å; T361-K363 HydrophobicContact CG2-CG 4.15Å; T361-F505 HydrophobicContact CG2-CD1 3.85Å; T361-F505 HydrophobicContact CG2-CE1 3.38Å; T361-F505 HydrophobicContact CG2-CZ 4.03Å; T361-F505 VanDerWaalsContact OG1-CD1 3.23Å; T361-F505 WeakPolarHBondContact OG1-CD1 3.4Å; T361-F505 WeakPolarHBondContact OG1-CE1 3.32Å
362M82.1Confident72.3Confident36 Ų3668.3 Ų68.318%0.17735%0.351CS..EExtended strand (participates in β ladder)trans-121.2130.9178.5-49.4-170.173.100109.1F364 R503 V504 T512M362-F364 HydrophobicContact CB-CE2 4.06Å; M362-F364 HydrophobicContact CB-CZ 4.49Å; M362-R503 CarbonylContact O-C 3.44Å; M362-R503 VanDerWaalsContact O-CA 3.26Å; M362-R503 WeakPolarHBondContact O-CA 3.31Å; M362-V504 HydrophobicContact CB-CB 4.48Å; M362-V504 PolarHBondContact N-O 3.49Å; M362-V504 PolarHBondContact O-N 2.76Å; M362-T512 VanDerWaalsContact CE-N 3.34Å; M362-T512 WeakPolarHBondContact CE-O 3.45Å; M362-T512 WeakPolarHBondContact SD-CB 3.37Å; M362-T512 HydrophobicContact SD-CG2 4.43Å; M362-T512 PolarHBondContact SD-OG1 2.76Å
363K85.9Confident74.4Confident70 Ų7064.5 Ų64.530%0.30432%0.324SS..EExtended strand (participates in β ladder)trans-123.3124.4-172.9-60.2173.2-172.3160.80109.9D349 T361 R503D349-K363 IonicContact OD2-NZ 3.33Å; D349-K363 PolarHBondContact OD2-NZ 3.17Å; T361-K363 HydrophobicContact CG2-CG 4.15Å; K363-R503 HydrophobicContact CG-CG 4.31Å
364F87.8Confident76.7Confident26 Ų2656.1 Ų56.111%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-118.9137.2175.7-57.7-85000110.5M362 Y390 V501 L502 T512 E514M362-F364 HydrophobicContact CB-CE2 4.06Å; M362-F364 HydrophobicContact CB-CZ 4.49Å; F364-Y390 HydrophobicContact CB-CD1 3.79Å; F364-Y390 HydrophobicContact CB-CE1 3.44Å; F364-Y390 VanDerWaalsContact CB-CE1 3.44Å; F364-Y390 AromaticContact CD1-CD1 3.6Å; F364-Y390 HydrophobicContact CD1-CD1 3.6Å; F364-Y390 AromaticContact CD1-CE1 3.79Å; F364-Y390 HydrophobicContact CD1-CE1 3.79Å; F364-Y390 HydrophobicContact CD2-CD1 4.09Å; F364-Y390 HydrophobicContact CE1-CD1 4.24Å; F364-Y390 AromaticContact CG-CD1 3.52Å; F364-Y390 HydrophobicContact CG-CD1 3.52Å; F364-Y390 AromaticContact CG-CE1 3.69Å; F364-Y390 HydrophobicContact CG-CE1 3.69Å; F364-Y390 HydrophobicContact CG-CG 4.42Å; F364-V501 CarbonylContact O-C 3.58Å; F364-V501 VanDerWaalsContact O-CA 3.31Å; F364-V501 WeakPolarHBondContact O-CA 3.34Å; F364-L502 HydrophobicContact CB-CB 4.29Å; F364-L502 HydrophobicContact CD2-CD2 4.5Å; F364-L502 PolarHBondContact N-O 2.8Å; F364-L502 PolarHBondContact O-N 3.17Å; F364-T512 HydrophobicContact CE2-CG2 3.46Å; F364-T512 VanDerWaalsContact CE2-CG2 3.46Å; F364-T512 HydrophobicContact CZ-CG2 3.35Å; F364-E514 HydrophobicContact CD1-CB 4.39Å
365Y88.4Confident78.9Confident79 Ų7948.9 Ų48.931%0.3125%0.247SC..EExtended strand (participates in β ladder)trans-105.9112.4177.7-62.3-85.9000108.6R17 F149 V501R17-Y365 VanDerWaalsContact NH1-CD2 3.31Å; R17-Y365 VanDerWaalsContact NH1-CE2 3.28Å; F149-Y365 WeakPolarHBondContact O-CE1 3.35Å; Y365-V501 HydrophobicContact CD1-CG2 3.96Å; Y365-V501 HydrophobicContact CE1-CG1 4.41Å; Y365-V501 HydrophobicContact CE1-CG2 4.07Å
366G89.6Confident81.5Confident7 Ų744.1 Ų44.17%0.07221%0.213CC..EExtended strand (participates in β ladder)trans-121.7173.3-176.500000112.5F500G366-F500 VanDerWaalsContact C-CD1 3.49Å; G366-F500 VanDerWaalsContact C-CE1 3.42Å; G366-F500 VanDerWaalsContact CA-CZ 3.47Å; G366-F500 PolarHBondContact N-O 3.23Å; G366-F500 PolarHBondContact O-N 3.08Å
367T91.3Very high83.8Confident28 Ų2839 Ų3917%0.17219%0.187CC..EExtended strand (participates in β ladder)trans-150.8135-178.1-63.80000110.5R369 T373 D499 F500 Q648T367-R369 HydrophobicContact CG2-CG 3.73Å; T367-T373 PolarHBondContact O-OG1 2.93Å; T367-D499 VanDerWaalsContact CG2-OD1 3.3Å; T367-D499 WeakPolarHBondContact CG2-OD1 3.13Å; T367-D499 PolarHBondContact OG1-OD1 3.31Å; T367-F500 VanDerWaalsContact N-CE1 3.26Å; T367-Q648 PolarHBondContact O-NE2 3.13Å; T367-Q648 VanDerWaalsContact O-NE2 3.17Å
368W93.9Very high85.8Confident0 Ų040 Ų400%018%0.181CC..EExtended strand (participates in β ladder)trans-97.9118.4163.6-55.6-63.4000109.1A374 L414 I432 P489 T491 K496 E497 A498 F500W368-A374 HydrophobicContact CB-CB 4Å; W368-L414 HydrophobicContact CH2-CD1 4.19Å; W368-L414 HydrophobicContact CH2-CD2 4.19Å; W368-L414 HydrophobicContact CH2-CG 4.44Å; W368-L414 HydrophobicContact CZ2-CD1 4.36Å; W368-L414 HydrophobicContact CZ2-CD2 4.26Å; W368-I432 HydrophobicContact CH2-CB 4.47Å; W368-I432 HydrophobicContact CH2-CG2 3.92Å; W368-I432 HydrophobicContact CZ3-CG2 4.01Å; W368-P489 HydrophobicContact CZ2-CB 4.14Å; W368-P489 PolarHBondContact NE1-O 3.02Å; W368-P489 VanDerWaalsContact NE1-O 3.1Å; W368-T491 HydrophobicContact CD2-CG2 4.16Å; W368-T491 HydrophobicContact CE3-CG2 3.85Å; W368-T491 HydrophobicContact CZ3-CG2 4.06Å; W368-K496 WeakPolarHBondContact CB-O 3.47Å; W368-E497 VanDerWaalsContact O-CA 3.28Å; W368-E497 WeakPolarHBondContact O-CA 3.28Å; W368-A498 HydrophobicContact CE3-CB 3.96Å; W368-A498 HydrophobicContact CZ3-CB 4.28Å; W368-A498 PolarHBondContact N-O 3.1Å; W368-A498 PolarHBondContact O-N 3.07Å; W368-F500 AromaticContact CD2-CD1 3.6Å; W368-F500 HydrophobicContact CD2-CD1 3.6Å; W368-F500 AromaticContact CD2-CE1 3.88Å; W368-F500 HydrophobicContact CD2-CE1 3.88Å; W368-F500 AromaticContact CE2-CD1 3.48Å; W368-F500 VanDerWaalsContact CE2-CD1 3.48Å; W368-F500 AromaticContact CE2-CE1 3.5Å; W368-F500 HydrophobicContact CE3-CB 4.49Å; W368-F500 AromaticContact CE3-CD1 3.73Å; W368-F500 HydrophobicContact CE3-CD1 3.73Å; W368-F500 HydrophobicContact CE3-CE1 4.46Å; W368-F500 HydrophobicContact CG-CD1 4.31Å; W368-F500 HydrophobicContact CG-CE1 4.23Å; W368-F500 HydrophobicContact CH2-CB 3.82Å; W368-F500 AromaticContact CH2-CD1 3.7Å; W368-F500 HydrophobicContact CH2-CD1 3.7Å; W368-F500 HydrophobicContact CH2-CE1 4.44Å; W368-F500 AromaticContact CH2-CG 3.87Å; W368-F500 HydrophobicContact CH2-CG 3.87Å; W368-F500 HydrophobicContact CZ2-CB 4.45Å; W368-F500 AromaticContact CZ2-CD1 3.55Å; W368-F500 HydrophobicContact CZ2-CD1 3.55Å; W368-F500 AromaticContact CZ2-CE1 3.83Å; W368-F500 HydrophobicContact CZ2-CE1 3.83Å; W368-F500 AromaticContact CZ2-CG 4Å; W368-F500 HydrophobicContact CZ2-CG 4Å; W368-F500 HydrophobicContact CZ3-CB 3.84Å; W368-F500 AromaticContact CZ3-CD1 3.79Å; W368-F500 HydrophobicContact CZ3-CD1 3.79Å; W368-F500 HydrophobicContact CZ3-CG 4.14Å; W368-F500 AromaticContact NE1-CE1 3.6Å
369R89.9Confident87.6Confident84 Ų8439.6 Ų39.632%0.31718%0.183SC..  trans-115.9138.7171.1-67.7-56.8179-118.1-4.8110.6T367 S372 T373 A374 D499 Q648T367-R369 HydrophobicContact CG2-CG 3.73Å; R369-S372 VanDerWaalsContact CB-OG 3.3Å; R369-S372 WeakPolarHBondContact CB-OG 3.33Å; R369-S372 PolarHBondContact O-N 3.13Å; R369-S372 VanDerWaalsContact O-N 3.17Å; R369-S372 PolarHBondContact O-OG 3.35Å; R369-T373 PolarHBondContact N-OG1 3.39Å; R369-T373 PolarHBondContact O-N 3.07Å; R369-T373 VanDerWaalsContact O-N 3.08Å; R369-A374 VanDerWaalsContact O-CB 3.24Å; R369-A374 WeakPolarHBondContact O-CB 3.48Å; R369-A374 PolarHBondContact O-N 3.23Å; R369-D499 IonicContact CZ-OD1 2.98Å; R369-D499 IonicContact NH1-OD1 3.75Å; R369-D499 PolarHBondContact NH1-OD1 3.17Å; R369-D499 IonicContact NH2-OD1 2.84Å; R369-D499 PolarHBondContact NH2-OD1 3.32Å; R369-D499 IonicContact NH2-OD2 3.89Å; R369-Q648 HydrophobicContact CB-CG 4.13Å; R369-Q648 HydrophobicContact CG-CB 4.44Å; R369-Q648 HydrophobicContact CG-CG 4.04Å
370R87.9Confident88.9Confident141 Ų14140.2 Ų40.253%0.53219%0.188SC..THydrogen-bonded Turntrans-62.5138.1-179.6-174.6168.7177.9-167.9-10.8109.3S372 E497 E658R370-S372 VanDerWaalsContact C-N 3.3Å; R370-S372 PolarHBondContact O-N 3.14Å; R370-E497 HydrophobicContact CB-CG 3.72Å; R370-E497 WeakPolarHBondContact CB-OE1 3.34Å; R370-E497 PolarHBondContact N-OE1 3.31Å; R370-E658 HydrophobicContact CG-CG 4.45Å; R370-E658 IonicContact CZ-OE1 3.6Å; R370-E658 IonicContact NE-OE1 2.65Å; R370-E658 PolarHBondContact NE-OE1 3.04Å; R370-E658 IonicContact NH2-OE1 2.77Å; R370-E658 PolarHBondContact NH2-OE1 2.91Å
371G81.8Confident89.9Confident9 Ų939.5 Ų39.59%0.09319%0.186CC..THydrogen-bonded Turntrans59.535.9-17400000113.1S628 V651G371-S628 WeakPolarHBondContact CA-OG 3.27Å; G371-S628 WeakPolarHBondContact O-CB 3.24Å; G371-S628 PolarHBondContact O-OG 3.04Å; G371-V651 WeakPolarHBondContact O-CG1 3.3Å; G371-V651 WeakPolarHBondContact O-CG2 3.14Å
372S85Confident90.4Very high12 Ų1242.8 Ų42.88%0.08420%0.203CC..THydrogen-bonded Turntrans-158.1-59.2167.650.30000111.6R369 R370 I386R369-S372 VanDerWaalsContact CB-OG 3.3Å; R369-S372 WeakPolarHBondContact CB-OG 3.33Å; R369-S372 PolarHBondContact O-N 3.13Å; R369-S372 VanDerWaalsContact O-N 3.17Å; R369-S372 PolarHBondContact O-OG 3.35Å; R370-S372 VanDerWaalsContact C-N 3.3Å; R370-S372 PolarHBondContact O-N 3.14Å; S372-I386 WeakPolarHBondContact O-CB 3.44Å; S372-I386 WeakPolarHBondContact O-CD1 3.46Å
373T90.4Very high90.9Very high0 Ų042.8 Ų42.80%020%0.204CC..THydrogen-bonded Turntrans-123.8-10.9-171.740.90000112.5T367 R369 G375 I386 N387 N644 Q648T367-T373 PolarHBondContact O-OG1 2.93Å; R369-T373 PolarHBondContact N-OG1 3.39Å; R369-T373 PolarHBondContact O-N 3.07Å; R369-T373 VanDerWaalsContact O-N 3.08Å; T373-G375 PolarHBondContact O-N 3.25Å; T373-I386 WeakPolarHBondContact CA-O 3.46Å; T373-N387 WeakPolarHBondContact O-CA 3.28Å; T373-N387 PolarHBondContact O-OD1 2.87Å; T373-N387 VanDerWaalsContact O-OD1 3.13Å; T373-N644 HydrophobicContact CG2-CB 4.19Å; T373-Q648 HydrophobicContact CG2-CG 4.04Å; T373-Q648 PolarHBondContact OG1-NE2 3.2Å
374A93.8Very high91.3Very high5 Ų539.5 Ų39.54%0.04119%0.19CC..  trans-78.269.1173.300000111.6W368 R369 G376 G495 K496W368-A374 HydrophobicContact CB-CB 4Å; R369-A374 VanDerWaalsContact O-CB 3.24Å; R369-A374 WeakPolarHBondContact O-CB 3.48Å; R369-A374 PolarHBondContact O-N 3.23Å; A374-G376 PolarHBondContact O-N 3.13Å; A374-G495 PolarHBondContact O-N 3.17Å; A374-K496 VanDerWaalsContact CB-O 3.29Å; A374-K496 WeakPolarHBondContact CB-O 3.24Å
375G94.6Very high91.6Very high0 Ų038.8 Ų38.80%019%0.187CC..  trans-76.2-18.7-171.400000115.8T373 T383 F384 N387T373-G375 PolarHBondContact O-N 3.25Å; G375-T383 WeakPolarHBondContact CA-O 3.47Å; G375-T383 CarbonylContact O-C 3.52Å; G375-T383 VanDerWaalsContact O-C 3.3Å; G375-T383 VanDerWaalsContact O-CB 3.26Å; G375-T383 WeakPolarHBondContact O-CB 3.34Å; G375-T383 PolarHBondContact O-OG1 3.05Å; G375-F384 PolarHBondContact O-N 2.97Å; G375-N387 PolarHBondContact N-OD1 3.17Å
376G95.9Very high91.7Very high0 Ų035.3 Ų35.30%017%0.173CC..  trans73.3179.9-171.500000111.8A374 F384 N387 S490 T491A374-G376 PolarHBondContact O-N 3.13Å; G376-F384 VanDerWaalsContact O-CD2 3.3Å; G376-F384 WeakPolarHBondContact O-CD2 3.23Å; G376-N387 PolarHBondContact O-ND2 3.25Å; G376-S490 WeakPolarHBondContact O-CB 3.09Å; G376-T491 CarbonylContact C-O 3.59Å; G376-T491 VanDerWaalsContact CA-O 3.26Å; G376-T491 WeakPolarHBondContact CA-O 3.23Å
377C95.9Very high92Very high4 Ų435 Ų353%0.02717%0.17CC..  trans-80.5-179.6-176760000113.2N379 H380 F468 T491 F492C377-N379 PolarHBondContact O-N 2.81Å; C377-H380 WeakPolarHBondContact O-CB 3.44Å; C377-H380 PolarHBondContact O-N 2.82Å; C377-F468 HydrophobicContact CB-CD1 4.43Å; C377-F468 HydrophobicContact CB-CE1 3.69Å; C377-F468 HydrophobicContact CB-CE2 4.31Å; C377-F468 HydrophobicContact CB-CZ 3.63Å; C377-T491 PolarHBondContact N-O 2.92Å; C377-F492 PolarHBondContact N-O 2.78Å; C377-F492 PolarHBondContact SG-O 3.15Å
378R94.2Very high92.1Very high86 Ų8633.8 Ų33.833%0.32516%0.163SC..THydrogen-bonded Turntrans-59-17.4-176.4-174.656.3-173.674.6-0.2114.8H380 F384 Y437 F456R378-H380 PolarHBondContact O-N 2.68Å; R378-F384 HydrophobicContact CB-CD2 4.39Å; R378-F384 HydrophobicContact CB-CE2 4.35Å; R378-F384 HydrophobicContact CB-CZ 4.45Å; R378-Y437 WeakPolarHBondContact CD-OH 3.39Å; R378-F456 VanDerWaalsContact CZ-O 3.31Å; R378-F456 PolarHBondContact NE-O 2.94Å; R378-F456 VanDerWaalsContact NE-O 3.17Å; R378-F456 PolarHBondContact NH2-O 2.85Å
379N94.7Very high92.1Very high114 Ų11433.8 Ų33.861%0.6116%0.163SC*.THydrogen-bonded Turntrans-66-15.3172.1-63.9-16.4000112.8C377 P381C377-N379 PolarHBondContact O-N 2.81Å; N379-P381 WeakPolarHBondContact O-CD 3.46Å
380H94.4Very high92.2Very high50 Ų5029.8 Ų29.823%0.23115%0.148CC..  trans-112.366.8-179.7-56.7104.1000110.9C377 R378 N382 T383 F384 F492 E493C377-H380 WeakPolarHBondContact O-CB 3.44Å; C377-H380 PolarHBondContact O-N 2.82Å; R378-H380 PolarHBondContact O-N 2.68Å; H380-N382 PolarHBondContact O-N 2.75Å; H380-T383 PolarHBondContact O-N 3.3Å; H380-T383 PolarHBondContact O-OG1 3.44Å; H380-F384 WeakPolarHBondContact O-CB 3.37Å; H380-F384 PolarHBondContact O-N 3.27Å; H380-F492 PolarHBondContact CE1-O 3.27Å; H380-F492 PolarHBondContact ND1-O 3.03Å; H380-E493 IonicContact CE1-OE2 3.65Å; H380-E493 IonicContact NE2-OE2 2.75Å
381P92.3Very high92.3Very high46 Ų4623.4 Ų23.430%0.29912%0.124SC..THydrogen-bonded Turntrans-62.9-19-170.126.2-36.3000114.6N379 T383 L457N379-P381 WeakPolarHBondContact O-CD 3.46Å; P381-T383 VanDerWaalsContact C-N 3.3Å; P381-L457 HydrophobicContact CB-CD2 3.9Å
382N89.3Confident92.7Very high102 Ų10223 Ų2355%0.54512%0.119SC..THydrogen-bonded Turntrans-70.4-28.4176.7-67.7-26.4000112.6H380 W385 K453H380-N382 PolarHBondContact O-N 2.75Å; N382-W385 PolarHBondContact O-NE1 2.99Å; N382-K453 WeakPolarHBondContact OD1-CE 3.31Å; N382-K453 PolarHBondContact OD1-NZ 3.28Å
383T91.4Very high92.9Very high35 Ų3523.2 Ų23.222%0.21512%0.12CC..THydrogen-bonded Turntrans-125.7-12.2-174.250.50000113.1G375 H380 P381 W385 I386G375-T383 WeakPolarHBondContact CA-O 3.47Å; G375-T383 CarbonylContact O-C 3.52Å; G375-T383 VanDerWaalsContact O-C 3.3Å; G375-T383 VanDerWaalsContact O-CB 3.26Å; G375-T383 WeakPolarHBondContact O-CB 3.34Å; G375-T383 PolarHBondContact O-OG1 3.05Å; H380-T383 PolarHBondContact O-N 3.3Å; H380-T383 PolarHBondContact O-OG1 3.44Å; P381-T383 VanDerWaalsContact C-N 3.3Å; T383-W385 PolarHBondContact O-N 2.92Å; T383-W385 VanDerWaalsContact O-N 3.11Å; T383-I386 HydrophobicContact CG2-CD1 4.5Å; T383-I386 WeakPolarHBondContact O-CG1 3.45Å; T383-I386 PolarHBondContact O-N 3.07Å; T383-I386 VanDerWaalsContact O-N 3.09Å
384F95.3Very high92.8Very high2 Ų223.6 Ų23.61%0.00912%0.122CC..G310 helixtrans-54.2-38.5179.5177.8-109.3000113.2G375 G376 R378 H380 I386 N387 A435 Y437 F456 V488G375-F384 PolarHBondContact O-N 2.97Å; G376-F384 VanDerWaalsContact O-CD2 3.3Å; G376-F384 WeakPolarHBondContact O-CD2 3.23Å; R378-F384 HydrophobicContact CB-CD2 4.39Å; R378-F384 HydrophobicContact CB-CE2 4.35Å; R378-F384 HydrophobicContact CB-CZ 4.45Å; H380-F384 WeakPolarHBondContact O-CB 3.37Å; H380-F384 PolarHBondContact O-N 3.27Å; F384-I386 PolarHBondContact O-N 3.38Å; F384-N387 PolarHBondContact O-N 3.24Å; F384-N387 PolarHBondContact O-ND2 2.88Å; F384-A435 HydrophobicContact CZ-CB 4.3Å; F384-Y437 AromaticContact CE1-CE2 3.98Å; F384-Y437 HydrophobicContact CE1-CE2 3.98Å; F384-Y437 HydrophobicContact CZ-CE2 4.16Å; F384-F456 HydrophobicContact CD1-CB 4.23Å; F384-F456 AromaticContact CD1-CD1 3.92Å; F384-F456 HydrophobicContact CD1-CD1 3.92Å; F384-F456 HydrophobicContact CD1-CD2 4.4Å; F384-F456 HydrophobicContact CD1-CE1 4.36Å; F384-F456 AromaticContact CD1-CG 3.92Å; F384-F456 HydrophobicContact CD1-CG 3.92Å; F384-F456 AromaticContact CE1-CD1 3.55Å; F384-F456 HydrophobicContact CE1-CD1 3.55Å; F384-F456 AromaticContact CE1-CE1 3.79Å; F384-F456 HydrophobicContact CE1-CE1 3.79Å; F384-F456 HydrophobicContact CE1-CG 4.05Å; F384-F456 HydrophobicContact CE1-CZ 4.47Å; F384-V488 HydrophobicContact CE1-CB 4.43Å; F384-V488 HydrophobicContact CE1-CG1 4.16Å; F384-V488 HydrophobicContact CE2-CB 4.41Å; F384-V488 HydrophobicContact CE2-CG1 3.83Å; F384-V488 HydrophobicContact CZ-CB 3.8Å; F384-V488 HydrophobicContact CZ-CG1 3.59Å; F384-V488 HydrophobicContact CZ-CG2 4.38Å
385W93Very high92.2Very high10 Ų1027.6 Ų27.64%0.03814%0.142CC..G310 helixtrans-69.2-16.4-176.569.9-83.7000114N382 T383 Q389 H450 K452 K453 F456 L633N382-W385 PolarHBondContact O-NE1 2.99Å; T383-W385 PolarHBondContact O-N 2.92Å; T383-W385 VanDerWaalsContact O-N 3.11Å; W385-Q389 PolarHBondContact O-NE2 3.14Å; W385-Q389 VanDerWaalsContact O-NE2 3.08Å; W385-H450 AromaticContact CE3-NE2 3.96Å; W385-H450 PolarHBondContact O-CE1 3.28Å; W385-H450 PolarHBondContact O-NE2 3.2Å; W385-K452 HydrophobicContact CE3-CB 4.36Å; W385-K452 HydrophobicContact CE3-CD 4.2Å; W385-K452 HydrophobicContact CZ3-CD 3.74Å; W385-K453 HydrophobicContact CD2-CB 4.35Å; W385-K453 HydrophobicContact CG-CB 3.98Å; W385-F456 HydrophobicContact CB-CD2 3.49Å; W385-F456 VanDerWaalsContact CB-CD2 3.49Å; W385-F456 HydrophobicContact CB-CE2 3.58Å; W385-L633 HydrophobicContact CH2-CD2 3.95Å; W385-L633 HydrophobicContact CH2-CG 4.19Å
386I91.8Very high91.4Very high6 Ų632.6 Ų32.63%0.03117%0.166CC..G310 helixtrans-86.1-7.3178.957.5153.2000113.5S372 T373 T383 F384S372-I386 WeakPolarHBondContact O-CB 3.44Å; S372-I386 WeakPolarHBondContact O-CD1 3.46Å; T373-I386 WeakPolarHBondContact CA-O 3.46Å; T383-I386 HydrophobicContact CG2-CD1 4.5Å; T383-I386 WeakPolarHBondContact O-CG1 3.45Å; T383-I386 PolarHBondContact O-N 3.07Å; T383-I386 VanDerWaalsContact O-N 3.09Å; F384-I386 PolarHBondContact O-N 3.38Å
387N95.1Very high90.5Very high0 Ų037 Ų370%019%0.187CC..SBendtrans-60.5152.8170.8-67.6-70.1000110.2T373 G375 G376 F384 Q389 H450 V488T373-N387 WeakPolarHBondContact O-CA 3.28Å; T373-N387 PolarHBondContact O-OD1 2.87Å; T373-N387 VanDerWaalsContact O-OD1 3.13Å; G375-N387 PolarHBondContact N-OD1 3.17Å; G376-N387 PolarHBondContact O-ND2 3.25Å; F384-N387 PolarHBondContact O-N 3.24Å; F384-N387 PolarHBondContact O-ND2 2.88Å; N387-Q389 WeakPolarHBondContact O-CG 3.11Å; N387-H450 PolarHBondContact O-CE1 3.48Å; N387-V488 HydrophobicContact CB-CG1 3.79Å
388P94.1Very high89.3Confident3 Ų338.3 Ų38.32%0.01919%0.193CC..  trans-54.5147.9171.1-25.236000111.8Y390 P489 F500P388-Y390 HydrophobicContact CB-CE2 3.84Å; P388-P489 WeakPolarHBondContact O-CD 3.28Å; P388-F500 HydrophobicContact CB-CZ 4.08Å; P388-F500 HydrophobicContact CG-CE1 4.09Å; P388-F500 HydrophobicContact CG-CZ 3.95Å
389Q93.8Very high88Confident0 Ų040.5 Ų40.50%021%0.211CC..EExtended strand (participates in β ladder)trans-128.8135.7-174.1-58.3-176.812.700109.8W385 N387 H450 L451 L486 V488 L515W385-Q389 PolarHBondContact O-NE2 3.14Å; W385-Q389 VanDerWaalsContact O-NE2 3.08Å; N387-Q389 WeakPolarHBondContact O-CG 3.11Å; Q389-H450 PolarHBondContact NE2-CE1 2.69Å; Q389-H450 PolarHBondContact NE2-NE2 3.08Å; Q389-H450 VanDerWaalsContact NE2-NE2 3.16Å; Q389-L451 PolarHBondContact NE2-O 3.15Å; Q389-L486 HydrophobicContact CB-CD1 3.75Å; Q389-L486 HydrophobicContact CB-CG 4.39Å; Q389-V488 HydrophobicContact CG-CG2 4.38Å; Q389-L515 HydrophobicContact CB-CB 4.22Å; Q389-L515 PolarHBondContact O-N 3.33Å
390Y91.9Very high86.5Confident0 Ų039 Ų390%020%0.204CC..EExtended strand (participates in β ladder)trans-129.1125.1-177-58-83.7000109.9F364 P388 L486 I487 P489 F500 L502 E514F364-Y390 HydrophobicContact CB-CD1 3.79Å; F364-Y390 HydrophobicContact CB-CE1 3.44Å; F364-Y390 VanDerWaalsContact CB-CE1 3.44Å; F364-Y390 AromaticContact CD1-CD1 3.6Å; F364-Y390 HydrophobicContact CD1-CD1 3.6Å; F364-Y390 AromaticContact CD1-CE1 3.79Å; F364-Y390 HydrophobicContact CD1-CE1 3.79Å; F364-Y390 HydrophobicContact CD2-CD1 4.09Å; F364-Y390 HydrophobicContact CE1-CD1 4.24Å; F364-Y390 AromaticContact CG-CD1 3.52Å; F364-Y390 HydrophobicContact CG-CD1 3.52Å; F364-Y390 AromaticContact CG-CE1 3.69Å; F364-Y390 HydrophobicContact CG-CE1 3.69Å; F364-Y390 HydrophobicContact CG-CG 4.42Å; P388-Y390 HydrophobicContact CB-CE2 3.84Å; Y390-L486 CarbonylContact O-C 3.6Å; Y390-L486 WeakPolarHBondContact O-CA 3.35Å; Y390-I487 PolarHBondContact N-O 2.92Å; Y390-I487 PolarHBondContact O-N 3Å; Y390-P489 HydrophobicContact CD2-CG 3.96Å; Y390-P489 HydrophobicContact CE2-CG 3.64Å; Y390-F500 AromaticContact CE2-CE2 3.95Å; Y390-F500 HydrophobicContact CE2-CE2 3.95Å; Y390-F500 HydrophobicContact CE2-CZ 4.04Å; Y390-L502 HydrophobicContact CD1-CD2 4.44Å; Y390-L502 HydrophobicContact CD2-CD2 3.36Å; Y390-L502 HydrophobicContact CE2-CD2 3.96Å; Y390-L502 HydrophobicContact CG-CD2 3.64Å; Y390-E514 HydrophobicContact CD1-CB 3.99Å; Y390-E514 HydrophobicContact CD1-CG 3.99Å; Y390-E514 HydrophobicContact CE1-CB 4.02Å; Y390-E514 HydrophobicContact CE1-CG 3.68Å
391K90.1Very high84.6Confident7 Ų742.9 Ų42.93%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-91.1124.1177.7177.718065.2177.90110.2I439 C446 Y485 T512 E513 L515K391-I439 HydrophobicContact CB-CD1 4.44Å; K391-I439 HydrophobicContact CD-CD1 4.13Å; K391-I439 HydrophobicContact CG-CD1 3.85Å; K391-C446 PolarHBondContact NZ-O 2.7Å; K391-Y485 CarbonylContact C-O 3.53Å; K391-Y485 VanDerWaalsContact CA-O 3.24Å; K391-Y485 WeakPolarHBondContact CA-O 3.33Å; K391-T512 CarbonylContact O-C 3.55Å; K391-T512 WeakPolarHBondContact O-CA 3.36Å; K391-T512 WeakPolarHBondContact O-CG2 3.36Å; K391-E513 WeakPolarHBondContact CE-OE2 3.44Å; K391-E513 PolarHBondContact N-O 3.26Å; K391-E513 IonicContact NZ-OE2 3.32Å; K391-E513 PolarHBondContact NZ-OE2 3.04Å; K391-E513 PolarHBondContact O-N 2.78Å; K391-L515 HydrophobicContact CB-CD1 3.54Å; K391-L515 HydrophobicContact CB-CG 3.63Å; K391-L515 HydrophobicContact CD-CD1 4.4Å; K391-L515 HydrophobicContact CG-CD1 4.32Å
392I89.9Confident82.8Confident1 Ų148.5 Ų48.51%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-105.4138.3167.161.2172.9000109.3F410 E484 Y485 I487 V504 T512I392-F410 HydrophobicContact CD1-CD2 4.03Å; I392-F410 HydrophobicContact CD1-CE2 3.45Å; I392-F410 VanDerWaalsContact CD1-CE2 3.45Å; I392-F410 HydrophobicContact CD1-CZ 3.78Å; I392-E484 WeakPolarHBondContact O-CA 3.48Å; I392-Y485 HydrophobicContact CD1-CD2 4.48Å; I392-Y485 HydrophobicContact CG1-CD2 4.37Å; I392-Y485 HydrophobicContact CG1-CG 4.47Å; I392-Y485 PolarHBondContact N-O 2.79Å; I392-Y485 PolarHBondContact O-N 3.02Å; I392-I487 HydrophobicContact CD1-CD1 4.14Å; I392-I487 HydrophobicContact CD1-CG1 4.26Å; I392-I487 HydrophobicContact CG1-CG1 4.46Å; I392-I487 HydrophobicContact CG2-CD1 3.62Å; I392-I487 HydrophobicContact CG2-CG1 4.25Å; I392-V504 HydrophobicContact CG2-CG1 4.07Å; I392-V504 HydrophobicContact CG2-CG2 4.13Å; I392-T512 HydrophobicContact CB-CG2 4.22Å; I392-T512 HydrophobicContact CG2-CG2 3.42Å; I392-T512 VanDerWaalsContact CG2-CG2 3.42Å
393T88.6Confident81.4Confident16 Ų1646.5 Ų46.510%0.09824%0.244CC..EExtended strand (participates in β ladder)trans-115.9113.1173.7-550000108.7L395 E484 S510 E511T393-L395 HydrophobicContact CG2-CD2 3.64Å; T393-L395 HydrophobicContact CG2-CG 4.19Å; T393-E484 HydrophobicContact CG2-CG 4.17Å; T393-S510 WeakPolarHBondContact O-CA 3.32Å; T393-S510 VanDerWaalsContact O-CB 3.26Å; T393-S510 WeakPolarHBondContact O-CB 3.4Å; T393-E511 WeakPolarHBondContact CA-O 2.98Å; T393-E511 VanDerWaalsContact CB-O 3.23Å; T393-E511 WeakPolarHBondContact CB-O 3.24Å; T393-E511 PolarHBondContact N-O 3.32Å; T393-E511 PolarHBondContact O-N 2.91Å; T393-E511 PolarHBondContact OG1-O 3.42Å
394L87.9Confident79.9Confident8 Ų853 Ų534%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-95113.3177.4-55.6179.3000108.4C408 F410 L480 P482 G483 Y485 T506L394-C408 HydrophobicContact CB-CB 3.97Å; L394-C408 HydrophobicContact CD1-CB 4.02Å; L394-C408 HydrophobicContact CG-CB 4.38Å; L394-F410 HydrophobicContact CD1-CD1 3.83Å; L394-F410 HydrophobicContact CD1-CE1 3.74Å; L394-F410 HydrophobicContact CD1-CZ 4.47Å; L394-F410 HydrophobicContact CD2-CD1 4.33Å; L394-F410 HydrophobicContact CD2-CG 4.44Å; L394-L480 HydrophobicContact CD1-CB 4.07Å; L394-P482 CarbonylContact O-C 3.55Å; L394-P482 VanDerWaalsContact O-CA 3.32Å; L394-P482 WeakPolarHBondContact O-CA 3.44Å; L394-G483 PolarHBondContact N-O 2.97Å; L394-G483 PolarHBondContact O-N 3.1Å; L394-Y485 HydrophobicContact CB-CE2 4.47Å; L394-Y485 HydrophobicContact CD1-CD2 3.89Å; L394-Y485 HydrophobicContact CD1-CE2 3.68Å; L394-Y485 HydrophobicContact CG-CD2 4.15Å; L394-Y485 HydrophobicContact CG-CE2 4.16Å; L394-T506 HydrophobicContact CD2-CG2 4.25Å
395L81.5Confident78.6Confident89 Ų8959.5 Ų59.547%0.46631%0.308SS..  trans-99-44.5-169.6-64.6173.9000113.4T393T393-L395 HydrophobicContact CG2-CD2 3.64Å; T393-L395 HydrophobicContact CG2-CG 4.19Å
396E78.1Confident77.6Confident106 Ų10663.2 Ų63.250%0.49533%0.332SS..SBendtrans-121.9142.2-171.1-64.7-178.4178.500111.2C408 K508E396-C408 PolarHBondContact O-SG 3.03Å; E396-K508 HydrophobicContact CB-CB 3.96Å; E396-K508 HydrophobicContact CB-CG 4.04Å
397E76.5Confident77Confident93 Ų9363.3 Ų63.344%0.43533%0.333SS..  trans-70.9157174.1-61.3167.5-154.900111V406 P482E397-V406 HydrophobicContact CG-CG1 3.82Å; E397-V406 WeakPolarHBondContact OE1-CG1 3.26Å; E397-P482 HydrophobicContact CG-CG 3.86Å
398D71.9Confident76.4Confident31 Ų3163.6 Ų63.617%0.16634%0.335CS..  trans-69.9142.7177-55.3-29.6000111D400 A407 S409D398-D400 PolarHBondContact O-N 2.95Å; D398-A407 PolarHBondContact N-O 2.94Å; D398-A407 VanDerWaalsContact N-O 3.15Å; D398-S409 VanDerWaalsContact CG-N 3.3Å; D398-S409 PolarHBondContact OD1-N 2.93Å; D398-S409 WeakPolarHBondContact OD2-CB 3.45Å; D398-S409 PolarHBondContact OD2-N 2.85Å; D398-S409 PolarHBondContact OD2-OG 3.38Å
399D65.9Low75.9Confident131 Ų13164.2 Ų64.270%0.70134%0.34SS*.  trans-82.153.3177.1-68.4-21000111.4P401 K508D399-P401 WeakPolarHBondContact O-CD 3.38Å; D399-K508 IonicContact OD1-NZ 2.75Å; D399-K508 PolarHBondContact OD1-NZ 3.43Å; D399-K508 IonicContact OD2-NZ 3.09Å; D399-K508 PolarHBondContact OD2-NZ 3.3Å
400D62.8Low75.5Confident84 Ų8464.2 Ų64.245%0.44934%0.34SS..  trans-103.5104.8174.7-162.5-22.8000111.3D398 E402 D403D398-D400 PolarHBondContact O-N 2.95Å; D400-E402 PolarHBondContact O-N 2.79Å; D400-E402 PolarHBondContact OD1-N 2.88Å; D400-D403 HydrophobicContact CB-CB 4.02Å; D400-D403 PolarHBondContact O-N 2.88Å
401P55Low75.3Confident131 Ų13164.2 Ų64.285%0.85134%0.34SS*.THydrogen-bonded Turntrans-70.1-7.2-179.830.1-35.1000113.9D399D399-P401 WeakPolarHBondContact O-CD 3.38Å
402E55.3Low75.4Confident163 Ų16363.9 Ų63.976%0.76234%0.339SS*.THydrogen-bonded Turntrans-95.7-2.7174.4-62.8-171172.600113.2D400D400-E402 PolarHBondContact O-N 2.79Å; D400-E402 PolarHBondContact OD1-N 2.88Å
403D59.3Low75.6Confident60 Ų6063.9 Ų63.932%0.32134%0.338SS..  trans-102.9117.1-177.3-148.7-43.1000111.7D400 E405 R479D400-D403 HydrophobicContact CB-CB 4.02Å; D400-D403 PolarHBondContact O-N 2.88Å; D403-E405 VanDerWaalsContact C-N 3.26Å; D403-E405 PolarHBondContact O-N 3.49Å; D403-E405 PolarHBondContact OD1-N 2.94Å; D403-R479 IonicContact OD1-CZ 3.99Å; D403-R479 IonicContact OD1-NH1 3.45Å; D403-R479 IonicContact OD1-NH2 3.74Å; D403-R479 PolarHBondContact OD1-NH2 2.85Å; D403-R479 IonicContact OD2-CZ 3.17Å; D403-R479 IonicContact OD2-NH1 3.65Å; D403-R479 PolarHBondContact OD2-NH1 2.87Å; D403-R479 IonicContact OD2-NH2 3.06Å; D403-R479 PolarHBondContact OD2-NH2 3.38Å
404D59.8Low75.9Confident172 Ų17263.1 Ų63.192%0.9233%0.334SS*.  trans-80.2-6.9179.3-70.1-37.9000112.5
405E67.3Low76.2Confident139 Ų13962.7 Ų62.765%0.6533%0.332SS*.SBendtrans-100.6119.4-177.8-68.3-173.6177.800112.7D403 A407D403-E405 VanDerWaalsContact C-N 3.26Å; D403-E405 PolarHBondContact O-N 3.49Å; D403-E405 PolarHBondContact OD1-N 2.94Å; E405-A407 PolarHBondContact O-N 2.88Å
406V72.1Confident76.8Confident87 Ų8758.5 Ų58.553%0.52731%0.31SS..  trans-63.391.3168.9165.80000109.6E397E397-V406 HydrophobicContact CG-CG1 3.82Å; E397-V406 WeakPolarHBondContact OE1-CG1 3.26Å
407A80.1Confident77.5Confident8 Ų855.1 Ų55.17%0.06629%0.293CS..  trans-144.9154.7-178.100000111.8D398 E405 R479D398-A407 PolarHBondContact N-O 2.94Å; D398-A407 VanDerWaalsContact N-O 3.15Å; E405-A407 PolarHBondContact O-N 2.88Å; A407-R479 HydrophobicContact CB-CB 4.24Å
408C83.6Confident77.9Confident6 Ų652.4 Ų52.44%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-107.2124.9172.6-47.60000108.2L394 E396 R479 L480L394-C408 HydrophobicContact CB-CB 3.97Å; L394-C408 HydrophobicContact CD1-CB 4.02Å; L394-C408 HydrophobicContact CG-CB 4.38Å; E396-C408 PolarHBondContact O-SG 3.03Å; C408-R479 WeakPolarHBondContact O-CA 3.39Å; C408-L480 PolarHBondContact N-O 3.24Å; C408-L480 PolarHBondContact O-N 2.81Å
409S82.3Confident78.6Confident16 Ų1651.6 Ų51.611%0.11228%0.276CS..EExtended strand (participates in β ladder)trans-88.3128.8176.8-70.40000111.1D398 E507D398-S409 VanDerWaalsContact CG-N 3.3Å; D398-S409 PolarHBondContact OD1-N 2.93Å; D398-S409 WeakPolarHBondContact OD2-CB 3.45Å; D398-S409 PolarHBondContact OD2-N 2.85Å; D398-S409 PolarHBondContact OD2-OG 3.38Å; S409-E507 PolarHBondContact O-N 3.42Å
410F86.1Confident79.4Confident0 Ų045.8 Ų45.80%025%0.245CC..EExtended strand (participates in β ladder)trans-146.1158.2175.869.6-73.9000111.5I392 L394 V412 L478 L480 V504 F505 T506I392-F410 HydrophobicContact CD1-CD2 4.03Å; I392-F410 HydrophobicContact CD1-CE2 3.45Å; I392-F410 VanDerWaalsContact CD1-CE2 3.45Å; I392-F410 HydrophobicContact CD1-CZ 3.78Å; L394-F410 HydrophobicContact CD1-CD1 3.83Å; L394-F410 HydrophobicContact CD1-CE1 3.74Å; L394-F410 HydrophobicContact CD1-CZ 4.47Å; L394-F410 HydrophobicContact CD2-CD1 4.33Å; L394-F410 HydrophobicContact CD2-CG 4.44Å; F410-V412 HydrophobicContact CD2-CG2 3.62Å; F410-V412 HydrophobicContact CE2-CG2 3.42Å; F410-V412 VanDerWaalsContact CE2-CG2 3.42Å; F410-L478 HydrophobicContact CD1-CB 4.13Å; F410-L478 HydrophobicContact CE1-CB 3.59Å; F410-L478 HydrophobicContact CE2-CB 4.07Å; F410-L478 HydrophobicContact CE2-CD1 3.82Å; F410-L478 HydrophobicContact CZ-CB 3.56Å; F410-L478 HydrophobicContact CZ-CD1 3.69Å; F410-L478 HydrophobicContact CZ-CG 4.27Å; F410-L478 PolarHBondContact N-O 2.77Å; F410-L478 PolarHBondContact O-N 2.85Å; F410-L478 VanDerWaalsContact O-O 3.12Å; F410-L480 HydrophobicContact CE1-CB 4.06Å; F410-L480 HydrophobicContact CE1-CD1 3.75Å; F410-L480 HydrophobicContact CE1-CG 3.87Å; F410-L480 HydrophobicContact CZ-CD1 3.63Å; F410-L480 HydrophobicContact CZ-CG 4.21Å; F410-V504 HydrophobicContact CD2-CG1 4.3Å; F410-F505 CarbonylContact C-O 3.56Å; F410-F505 WeakPolarHBondContact CA-O 3.38Å; F410-F505 VanDerWaalsContact CB-O 3.28Å; F410-F505 WeakPolarHBondContact CB-O 3.36Å; F410-T506 HydrophobicContact CB-CG2 3.89Å
411L87.9Confident80.2Confident1 Ų144.6 Ų44.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-121126.1179-179.871000108.3V214 E216 T476 R477 V504 F505V214-L411 HydrophobicContact CB-CD2 4.03Å; V214-L411 HydrophobicContact CG1-CD2 3.49Å; V214-L411 VanDerWaalsContact CG1-CD2 3.49Å; V214-L411 HydrophobicContact CG2-CD2 3.36Å; V214-L411 HydrophobicContact CG2-CG 4.16Å; E216-L411 HydrophobicContact CG-CD1 4.07Å; E216-L411 HydrophobicContact CG-CD2 4.19Å; L411-T476 VanDerWaalsContact CD1-C 3.49Å; L411-R477 HydrophobicContact CD1-CB 4.01Å; L411-V504 WeakPolarHBondContact O-CA 3.17Å; L411-F505 HydrophobicContact CB-CB 4.13Å; L411-F505 HydrophobicContact CB-CD2 4.24Å; L411-F505 HydrophobicContact CD2-CD2 4.1Å; L411-F505 HydrophobicContact CG-CD2 4.27Å; L411-F505 PolarHBondContact N-O 3.21Å; L411-F505 PolarHBondContact O-N 3.05Å
412V92.3Very high81.4Confident0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-107.7127174.6-178.90000108.1F410 F434 S475 T476 L478 I487 L502F410-V412 HydrophobicContact CD2-CG2 3.62Å; F410-V412 HydrophobicContact CE2-CG2 3.42Å; F410-V412 VanDerWaalsContact CE2-CG2 3.42Å; V412-F434 HydrophobicContact CB-CD2 4.47Å; V412-F434 HydrophobicContact CB-CE1 4.12Å; V412-F434 HydrophobicContact CB-CE2 3.72Å; V412-F434 HydrophobicContact CB-CZ 3.52Å; V412-F434 HydrophobicContact CG1-CD1 4.06Å; V412-F434 HydrophobicContact CG1-CD2 3.97Å; V412-F434 HydrophobicContact CG1-CE1 3.79Å; V412-F434 HydrophobicContact CG1-CE2 3.7Å; V412-F434 HydrophobicContact CG1-CG 4.15Å; V412-F434 HydrophobicContact CG1-CZ 3.61Å; V412-F434 HydrophobicContact CG2-CE2 4.3Å; V412-S475 CarbonylContact O-C 3.3Å; V412-S475 WeakPolarHBondContact O-CA 3.45Å; V412-T476 PolarHBondContact N-O 2.83Å; V412-T476 VanDerWaalsContact N-O 3.14Å; V412-T476 PolarHBondContact O-N 2.91Å; V412-L478 HydrophobicContact CG2-CD1 4.25Å; V412-I487 HydrophobicContact CG1-CD1 4.09Å; V412-I487 HydrophobicContact CG1-CG2 4.24Å; V412-I487 HydrophobicContact CG2-CD1 3.77Å; V412-L502 HydrophobicContact CG1-CD1 3.64Å
413A93.1Very high82.7Confident0 Ų038.1 Ų38.10%019%0.186CC..EExtended strand (participates in β ladder)trans-127.7117.1-178.700000110.2V214 E473 R503 F505V214-A413 HydrophobicContact CG2-CB 3.85Å; A413-E473 HydrophobicContact CB-CG 4.34Å; A413-R503 HydrophobicContact CB-CB 4.26Å; A413-R503 PolarHBondContact N-O 3.16Å; A413-R503 PolarHBondContact O-N 3.22Å; A413-F505 HydrophobicContact CB-CE2 4.19Å
414L95.3Very high83.6Confident0 Ų043.6 Ų43.60%020%0.202CC..EExtended strand (participates in β ladder)trans-111.5112.5-178.7175.163.3000110.2W368 I432 G433 F434 E473 V474 P489 F500 L502W368-L414 HydrophobicContact CH2-CD1 4.19Å; W368-L414 HydrophobicContact CH2-CD2 4.19Å; W368-L414 HydrophobicContact CH2-CG 4.44Å; W368-L414 HydrophobicContact CZ2-CD1 4.36Å; W368-L414 HydrophobicContact CZ2-CD2 4.26Å; L414-I432 HydrophobicContact CD2-CB 4.37Å; L414-I432 HydrophobicContact CG-CD1 4.35Å; L414-I432 WeakPolarHBondContact O-CD1 3.07Å; L414-G433 WeakPolarHBondContact CD2-O 3.41Å; L414-F434 HydrophobicContact CB-CD1 4.1Å; L414-F434 HydrophobicContact CD2-CB 4.45Å; L414-F434 HydrophobicContact CD2-CD1 4.5Å; L414-E473 CarbonylContact O-C 3.55Å; L414-E473 VanDerWaalsContact O-CA 3.28Å; L414-E473 WeakPolarHBondContact O-CA 3.3Å; L414-V474 PolarHBondContact N-O 2.99Å; L414-V474 PolarHBondContact O-N 2.66Å; L414-P489 HydrophobicContact CD1-CB 3.56Å; L414-P489 HydrophobicContact CD2-CB 3.61Å; L414-P489 HydrophobicContact CG-CB 4.2Å; L414-F500 HydrophobicContact CD1-CB 4.06Å; L414-F500 HydrophobicContact CD1-CD2 3.53Å; L414-F500 HydrophobicContact CD1-CE2 4.18Å; L414-F500 HydrophobicContact CD1-CG 3.96Å; L414-L502 HydrophobicContact CB-CD1 4.27Å; L414-L502 HydrophobicContact CD1-CD1 4.35Å
415M94.7Very high84.6Confident0 Ų041 Ų410%019%0.185CC..EExtended strand (participates in β ladder)trans-112.1129.9-177.2-170.3179.6-65.900112.2W147 F149 E208 R472 E473 F500 V501W147-M415 HydrophobicContact CH2-CE 3.89Å; W147-M415 HydrophobicContact CH2-SD 4.12Å; W147-M415 HydrophobicContact CZ3-CE 3.67Å; W147-M415 HydrophobicContact CZ3-SD 3.8Å; F149-M415 HydrophobicContact CD1-CG 4.05Å; F149-M415 HydrophobicContact CD1-SD 3.5Å; F149-M415 VanDerWaalsContact CD1-SD 3.5Å; F149-M415 HydrophobicContact CE1-CG 4.32Å; F149-M415 HydrophobicContact CE1-SD 3.96Å; E208-M415 HydrophobicContact CB-CE 4.38Å; E208-M415 HydrophobicContact CG-CE 4.23Å; E208-M415 WeakPolarHBondContact OE2-CE 3.26Å; M415-R472 CarbonylContact C-O 3.49Å; M415-R472 WeakPolarHBondContact CA-O 3.44Å; M415-R472 HydrophobicContact CG-CG 4.19Å; M415-E473 HydrophobicContact CB-CB 4.16Å; M415-E473 HydrophobicContact CB-CG 4.35Å; M415-E473 WeakPolarHBondContact CB-OE2 3.44Å; M415-E473 HydrophobicContact CE-CB 4.14Å; M415-E473 HydrophobicContact CE-CG 4.5Å; M415-E473 WeakPolarHBondContact CE-OE2 3.49Å; M415-E473 HydrophobicContact CG-CB 4.21Å; M415-F500 CarbonylContact O-C 3.28Å; M415-F500 WeakPolarHBondContact O-CA 3.41Å; M415-F500 VanDerWaalsContact O-CB 3.23Å; M415-F500 WeakPolarHBondContact O-CB 3.34Å; M415-V501 PolarHBondContact N-O 2.73Å; M415-V501 PolarHBondContact O-N 2.98Å
416Q94.1Very high85.2Confident1 Ų138 Ų381%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-91.2139171.963-175.3-53.200112F149 R419 M429 H430 I432 L471 R472F149-Q416 WeakPolarHBondContact CE1-O 3.42Å; Q416-R419 HydrophobicContact CB-CG 4.39Å; Q416-R419 HydrophobicContact CG-CG 3.81Å; Q416-M429 HydrophobicContact CG-SD 3.97Å; Q416-H430 PolarHBondContact NE2-O 3.17Å; Q416-I432 HydrophobicContact CB-CD1 4.2Å; Q416-I432 HydrophobicContact CG-CD1 4.12Å; Q416-L471 PolarHBondContact NE2-O 2.87Å; Q416-R472 WeakPolarHBondContact CG-O 3.28Å; Q416-R472 PolarHBondContact N-O 2.82Å
417K91.9Very high85.7Confident35 Ų3538 Ų3815%0.15219%0.185CC..  trans-91147.7-171.3-56.9-173.360.3160.10114.1F149 R419 D499 V501F149-K417 HydrophobicContact CB-CD 3.91Å; F149-K417 VanDerWaalsContact CB-CE 3.45Å; F149-K417 HydrophobicContact CB-CG 3.9Å; F149-K417 HydrophobicContact CD1-CB 4.07Å; F149-K417 HydrophobicContact CD1-CG 3.73Å; F149-K417 HydrophobicContact CD2-CB 4.34Å; F149-K417 HydrophobicContact CD2-CG 4.34Å; F149-K417 HydrophobicContact CE1-CB 4.26Å; F149-K417 HydrophobicContact CE1-CG 4.38Å; F149-K417 HydrophobicContact CE2-CB 4.49Å; F149-K417 HydrophobicContact CG-CB 4.14Å; F149-K417 HydrophobicContact CG-CD 4.18Å; F149-K417 HydrophobicContact CG-CG 3.72Å; F149-K417 HydrophobicContact CZ-CB 4.46Å; K417-R419 PolarHBondContact O-N 3.45Å; K417-D499 HydrophobicContact CB-CB 4.15Å; K417-D499 HydrophobicContact CD-CB 3.94Å; K417-D499 HydrophobicContact CG-CB 4.24Å; K417-D499 PolarHBondContact N-O 3.2Å; K417-V501 HydrophobicContact CD-CG2 3.97Å; K417-V501 HydrophobicContact CG-CG2 4.22Å
418D84.9Confident85.9Confident36 Ų3641.3 Ų41.319%0.19320%0.202CC..SBendtrans57.512.5162.2-69.3-60.9000117.6F149 R420 R421 Y422F149-D418 VanDerWaalsContact CZ-N 3.25Å; D418-R420 VanDerWaalsContact C-N 3.31Å; D418-R420 PolarHBondContact O-N 3.36Å; D418-R421 WeakPolarHBondContact O-CB 3.4Å; D418-R421 PolarHBondContact O-N 2.87Å; D418-R421 VanDerWaalsContact O-N 3.14Å; D418-R421 IonicContact OD1-CZ 2.77Å; D418-R421 VanDerWaalsContact OD1-CZ 3.3Å; D418-R421 IonicContact OD1-NE 2.94Å; D418-R421 IonicContact OD1-NH1 3.88Å; D418-R421 PolarHBondContact OD1-NH1 2.81Å; D418-Y422 HydrophobicContact CB-CE2 4.34Å; D418-Y422 VanDerWaalsContact O-CD2 3.28Å; D418-Y422 WeakPolarHBondContact O-CD2 3.43Å
419R86.4Confident86.2Confident13 Ų1342.1 Ų42.15%0.04921%0.205CC..G310 helixtrans-61.7-34-172.3-59.1-57.7-60.51615.8113.7Q416 K417 R421 Y422 D428 M429 H430Q416-R419 HydrophobicContact CB-CG 4.39Å; Q416-R419 HydrophobicContact CG-CG 3.81Å; K417-R419 PolarHBondContact O-N 3.45Å; R419-R421 VanDerWaalsContact C-N 3.26Å; R419-R421 PolarHBondContact O-N 3.4Å; R419-Y422 PolarHBondContact O-N 2.72Å; R419-D428 PolarHBondContact NE-O 2.92Å; R419-D428 VanDerWaalsContact NE-O 3.12Å; R419-D428 PolarHBondContact NH2-O 3.05Å; R419-M429 HydrophobicContact CB-CE 4.02Å; R419-M429 HydrophobicContact CB-SD 3.47Å; R419-M429 WeakPolarHBondContact CB-SD 3.34Å; R419-M429 HydrophobicContact CG-SD 3.68Å; R419-H430 VanDerWaalsContact CZ-NE2 3.29Å; R419-H430 PolarHBondContact NH1-NE2 3.1Å; R419-H430 PolarHBondContact NH2-CE1 3.49Å; R419-H430 PolarHBondContact NH2-NE2 3.32Å
420R82.3Confident86.8Confident9 Ų942.6 Ų42.63%0.03421%0.205CC..G310 helixtrans-57.7-36.9177.3-71.8-177.5174.6-80.6-7.6112.5N192 A197 G200 E205 D418 Y422 R423 M429N192-R420 WeakPolarHBondContact OD1-CD 3.11Å; A197-R420 PolarHBondContact O-NH1 3.03Å; G200-R420 PolarHBondContact O-NH1 3.41Å; G200-R420 PolarHBondContact O-NH2 3.49Å; E205-R420 IonicContact OE1-NH2 3.68Å; E205-R420 PolarHBondContact OE1-NH2 3.08Å; E205-R420 IonicContact OE2-CZ 2.62Å; E205-R420 VanDerWaalsContact OE2-CZ 3.23Å; E205-R420 IonicContact OE2-NE 3.39Å; E205-R420 PolarHBondContact OE2-NE 2.72Å; E205-R420 IonicContact OE2-NH2 2.64Å; E205-R420 PolarHBondContact OE2-NH2 3.34Å; D418-R420 VanDerWaalsContact C-N 3.31Å; D418-R420 PolarHBondContact O-N 3.36Å; R420-Y422 PolarHBondContact O-N 3.16Å; R420-R423 WeakPolarHBondContact O-CB 3.27Å; R420-R423 PolarHBondContact O-N 2.81Å; R420-R423 VanDerWaalsContact O-N 3.1Å; R420-M429 HydrophobicContact CG-CE 4.27Å
421R80Confident87.2Confident60 Ų6045.3 Ų45.323%0.22622%0.222CC..G310 helixtrans-64.6-21.3177.9-63.6179.7172.5161-3.7113.4M1 L191 D418 R419M1-R421 VanDerWaalsContact CE-NH1 3.3Å; L191-R421 PolarHBondContact O-NE 3.43Å; L191-R421 VanDerWaalsContact O-NE 3.13Å; L191-R421 PolarHBondContact O-NH2 3.36Å; D418-R421 WeakPolarHBondContact O-CB 3.4Å; D418-R421 PolarHBondContact O-N 2.87Å; D418-R421 VanDerWaalsContact O-N 3.14Å; D418-R421 IonicContact OD1-CZ 2.77Å; D418-R421 VanDerWaalsContact OD1-CZ 3.3Å; D418-R421 IonicContact OD1-NE 2.94Å; D418-R421 IonicContact OD1-NH1 3.88Å; D418-R421 PolarHBondContact OD1-NH1 2.81Å; R419-R421 VanDerWaalsContact C-N 3.26Å; R419-R421 PolarHBondContact O-N 3.4Å
422Y80.8Confident87.7Confident104 Ų10445.2 Ų45.241%0.40822%0.221SC..G310 helixtrans-91.3-2.8178.5-61.9-81.4000113.7D418 R419 R420 R424 H425 G426 Q427D418-Y422 HydrophobicContact CB-CE2 4.34Å; D418-Y422 VanDerWaalsContact O-CD2 3.28Å; D418-Y422 WeakPolarHBondContact O-CD2 3.43Å; R419-Y422 PolarHBondContact O-N 2.72Å; R420-Y422 PolarHBondContact O-N 3.16Å; Y422-R424 VanDerWaalsContact C-N 3.28Å; Y422-R424 PolarHBondContact O-N 2.8Å; Y422-H425 CarbonylContact O-C 3.5Å; Y422-H425 WeakPolarHBondContact O-CA 3.37Å; Y422-H425 WeakPolarHBondContact O-CB 3.45Å; Y422-H425 PolarHBondContact O-N 3.09Å; Y422-G426 PolarHBondContact O-N 3Å; Y422-Q427 PolarHBondContact O-N 2.99Å
423R81.9Confident87.9Confident54 Ų5445.2 Ų45.220%0.20422%0.221CC..G310 helixtrans-61.4-33.8176.6-74.9-174.7171.7179.1-1.6113.5F63 S199 G200 R420 H425 G426 Q427 D428F63-R423 HydrophobicContact CE2-CB 4.46Å; F63-R423 HydrophobicContact CZ-CB 3.84Å; S199-R423 PolarHBondContact O-NH1 2.82Å; G200-R423 PolarHBondContact O-NH1 3.26Å; G200-R423 PolarHBondContact O-NH2 3.5Å; R420-R423 WeakPolarHBondContact O-CB 3.27Å; R420-R423 PolarHBondContact O-N 2.81Å; R420-R423 VanDerWaalsContact O-N 3.1Å; R423-H425 PolarHBondContact O-N 3.11Å; R423-H425 VanDerWaalsContact O-N 3.12Å; R423-G426 PolarHBondContact O-N 2.91Å; R423-Q427 VanDerWaalsContact CA-O 3.29Å; R423-Q427 WeakPolarHBondContact CA-O 3.36Å; R423-Q427 WeakPolarHBondContact CG-O 3.35Å; R423-D428 IonicContact CZ-OD1 2.67Å; R423-D428 IonicContact NE-OD1 3.15Å; R423-D428 PolarHBondContact NE-OD1 2.87Å; R423-D428 IonicContact NH2-OD1 3.13Å
424R79.4Confident88.1Confident175 Ų17545.2 Ų45.266%0.6622%0.221SC*.G310 helixtrans-59.3-21.6171.470.6-175.7177.3170.73.4113.7F63 Y422F63-R424 HydrophobicContact CB-CB 4.42Å; F63-R424 HydrophobicContact CD1-CB 3.96Å; F63-R424 HydrophobicContact CD2-CB 4.24Å; F63-R424 HydrophobicContact CE1-CB 4.29Å; F63-R424 HydrophobicContact CG-CB 3.93Å; Y422-R424 VanDerWaalsContact C-N 3.28Å; Y422-R424 PolarHBondContact O-N 2.8Å
425H81.3Confident88.2Confident118 Ų11845.8 Ų45.855%0.54623%0.226SC..G310 helixtrans-99.911.3175.3-53.5105.5000112.7Y422 R423 Q427Y422-H425 CarbonylContact O-C 3.5Å; Y422-H425 WeakPolarHBondContact O-CA 3.37Å; Y422-H425 WeakPolarHBondContact O-CB 3.45Å; Y422-H425 PolarHBondContact O-N 3.09Å; R423-H425 PolarHBondContact O-N 3.11Å; R423-H425 VanDerWaalsContact O-N 3.12Å; H425-Q427 VanDerWaalsContact C-N 3.3Å; H425-Q427 PolarHBondContact O-N 2.68Å
426G78.4Confident88.3Confident75 Ų7545.8 Ų45.877%0.77323%0.226SC*.THydrogen-bonded Turntrans73.514.8-179.500000114.9Y422 R423Y422-G426 PolarHBondContact O-N 3Å; R423-G426 PolarHBondContact O-N 2.91Å
427Q82.6Confident88.4Confident87 Ų8745.8 Ų45.841%0.40723%0.226SC..  trans-94.3154.2173.5-55.5-168.617.500111.4Y422 R423 H425Y422-Q427 PolarHBondContact O-N 2.99Å; R423-Q427 VanDerWaalsContact CA-O 3.29Å; R423-Q427 WeakPolarHBondContact CA-O 3.36Å; R423-Q427 WeakPolarHBondContact CG-O 3.35Å; H425-Q427 VanDerWaalsContact C-N 3.3Å; H425-Q427 PolarHBondContact O-N 2.68Å
428D84.4Confident88.4Confident78 Ų7848.7 Ų48.742%0.41724%0.24SC..  trans-134.7-173.4176-157.48000111.2R419 R423R419-D428 PolarHBondContact NE-O 2.92Å; R419-D428 VanDerWaalsContact NE-O 3.12Å; R419-D428 PolarHBondContact NH2-O 3.05Å; R423-D428 IonicContact CZ-OD1 2.67Å; R423-D428 IonicContact NE-OD1 3.15Å; R423-D428 PolarHBondContact NE-OD1 2.87Å; R423-D428 IonicContact NH2-OD1 3.13Å
429M90.4Very high88.6Confident22 Ų2247.1 Ų47.111%0.10823%0.232CC..  trans-52.5134.6172.1-62.9-62.8176.400111.4Q416 R419 R420 N470 R472Q416-M429 HydrophobicContact CG-SD 3.97Å; R419-M429 HydrophobicContact CB-CE 4.02Å; R419-M429 HydrophobicContact CB-SD 3.47Å; R419-M429 WeakPolarHBondContact CB-SD 3.34Å; R419-M429 HydrophobicContact CG-SD 3.68Å; R420-M429 HydrophobicContact CG-CE 4.27Å; M429-N470 HydrophobicContact CB-CB 4.42Å; M429-N470 WeakPolarHBondContact CB-O 3.4Å; M429-R472 HydrophobicContact CE-CB 3.74Å; M429-R472 HydrophobicContact CE-CG 3.91Å; M429-R472 HydrophobicContact SD-CB 4.15Å; M429-R472 HydrophobicContact SD-CG 4.4Å
430H94.1Very high88.5Confident27 Ų2748 Ų4813%0.12524%0.239CC..  trans-78153.2169.4-64.1-55000110.2Q416 R419 I432 N470 T491 E497Q416-H430 PolarHBondContact NE2-O 3.17Å; R419-H430 VanDerWaalsContact CZ-NE2 3.29Å; R419-H430 PolarHBondContact NH1-NE2 3.1Å; R419-H430 PolarHBondContact NH2-CE1 3.49Å; R419-H430 PolarHBondContact NH2-NE2 3.32Å; H430-I432 HydrophobicContact CB-CG2 4.22Å; H430-I432 PolarHBondContact O-N 3.44Å; H430-N470 WeakPolarHBondContact O-CA 3.49Å; H430-T491 HydrophobicContact CB-CG2 4.13Å; H430-E497 PolarHBondContact NE2-O 3.26Å
431T95.9Very high88.3Confident56 Ų5655 Ų5534%0.34427%0.272SS..  trans-71.8112.6167-48.20000109.2F468 I469 T491 F492T431-F468 HydrophobicContact CG2-CB 3.78Å; T431-F468 WeakPolarHBondContact CG2-O 3.39Å; T431-I469 WeakPolarHBondContact CA-O 3.33Å; T431-T491 CarbonylContact O-C 3.5Å; T431-T491 WeakPolarHBondContact O-CA 3.46Å; T431-F492 HydrophobicContact CG2-CB 3.95Å; T431-F492 PolarHBondContact O-N 3.19Å
432I97.4Very high88.1Confident0 Ų059.3 Ų59.30%030%0.295CS..EExtended strand (participates in β ladder)trans-119.6161-176.561.1174.8000111.6W368 L414 Q416 H430 F468 I469 V474 T491W368-I432 HydrophobicContact CH2-CB 4.47Å; W368-I432 HydrophobicContact CH2-CG2 3.92Å; W368-I432 HydrophobicContact CZ3-CG2 4.01Å; L414-I432 HydrophobicContact CD2-CB 4.37Å; L414-I432 HydrophobicContact CG-CD1 4.35Å; L414-I432 WeakPolarHBondContact O-CD1 3.07Å; Q416-I432 HydrophobicContact CB-CD1 4.2Å; Q416-I432 HydrophobicContact CG-CD1 4.12Å; H430-I432 HydrophobicContact CB-CG2 4.22Å; H430-I432 PolarHBondContact O-N 3.44Å; I432-F468 VanDerWaalsContact C-CD1 3.47Å; I432-F468 WeakPolarHBondContact O-CA 3.47Å; I432-I469 PolarHBondContact N-O 2.76Å; I432-I469 PolarHBondContact O-N 3.35Å; I432-V474 HydrophobicContact CD1-CG2 4.28Å; I432-V474 HydrophobicContact CG1-CG2 3.77Å; I432-T491 HydrophobicContact CG2-CG2 4.09Å
433G97.1Very high87.7Confident0 Ų057.1 Ų57.10%029%0.288CS..EExtended strand (participates in β ladder)trans-179.1177.717600000111.1L414 S465 S490L414-G433 WeakPolarHBondContact CD2-O 3.41Å; G433-S465 WeakPolarHBondContact CA-OG 3.4Å; G433-S490 PolarHBondContact N-O 3.28Å; G433-S490 PolarHBondContact O-N 2.83Å
434F97.4Very high87.2Confident0 Ų059.3 Ų59.30%030%0.297CS..EExtended strand (participates in β ladder)trans-141.9158.1-179.360.6-94.1000111.7V412 L414 V436 R464 S465 L478 I487 V488V412-F434 HydrophobicContact CB-CD2 4.47Å; V412-F434 HydrophobicContact CB-CE1 4.12Å; V412-F434 HydrophobicContact CB-CE2 3.72Å; V412-F434 HydrophobicContact CB-CZ 3.52Å; V412-F434 HydrophobicContact CG1-CD1 4.06Å; V412-F434 HydrophobicContact CG1-CD2 3.97Å; V412-F434 HydrophobicContact CG1-CE1 3.79Å; V412-F434 HydrophobicContact CG1-CE2 3.7Å; V412-F434 HydrophobicContact CG1-CG 4.15Å; V412-F434 HydrophobicContact CG1-CZ 3.61Å; V412-F434 HydrophobicContact CG2-CE2 4.3Å; L414-F434 HydrophobicContact CB-CD1 4.1Å; L414-F434 HydrophobicContact CD2-CB 4.45Å; L414-F434 HydrophobicContact CD2-CD1 4.5Å; F434-V436 HydrophobicContact CD2-CG2 4.13Å; F434-V436 HydrophobicContact CE2-CG2 4.26Å; F434-R464 WeakPolarHBondContact O-CA 3.28Å; F434-R464 WeakPolarHBondContact O-CB 3.3Å; F434-S465 PolarHBondContact N-OG 3.03Å; F434-S465 VanDerWaalsContact N-OG 3.1Å; F434-S465 PolarHBondContact O-N 3.02Å; F434-S465 PolarHBondContact O-OG 2.56Å; F434-L478 HydrophobicContact CE2-CD1 4.17Å; F434-I487 HydrophobicContact CB-CG2 4.19Å; F434-I487 HydrophobicContact CD2-CG2 4.29Å; F434-I487 HydrophobicContact CG-CG2 4.45Å; F434-V488 WeakPolarHBondContact CA-O 3.5Å
435A97.1Very high86.5Confident11 Ų1153.5 Ų53.59%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-126.1146.3172.700000110F384 Y437 V488F384-A435 HydrophobicContact CZ-CB 4.3Å; A435-Y437 HydrophobicContact CB-CE2 3.73Å; A435-V488 PolarHBondContact N-O 2.78Å; A435-V488 PolarHBondContact O-N 3.02Å
436V96.7Very high85.7Confident0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans-116.8131.9-179.9-170.40000109.1F434 S461 C462 A463 L478 L480 Y485 L486 I487F434-V436 HydrophobicContact CD2-CG2 4.13Å; F434-V436 HydrophobicContact CE2-CG2 4.26Å; V436-S461 CarbonylContact O-C 3.58Å; V436-S461 WeakPolarHBondContact O-CA 3.3Å; V436-S461 VanDerWaalsContact O-CB 3.31Å; V436-S461 WeakPolarHBondContact O-CB 3.36Å; V436-C462 PolarHBondContact O-N 2.88Å; V436-C462 PolarHBondContact O-SG 3.33Å; V436-C462 VanDerWaalsContact O-SG 3.39Å; V436-A463 WeakPolarHBondContact CA-O 3.46Å; V436-A463 HydrophobicContact CB-CB 3.98Å; V436-A463 HydrophobicContact CG2-CB 4.21Å; V436-A463 PolarHBondContact N-O 3.27Å; V436-A463 PolarHBondContact O-N 2.75Å; V436-L478 HydrophobicContact CG2-CD1 3.94Å; V436-L480 HydrophobicContact CG1-CD1 4.07Å; V436-Y485 HydrophobicContact CG1-CD1 4.38Å; V436-Y485 HydrophobicContact CG1-CG 4.39Å; V436-L486 CarbonylContact C-O 3.53Å; V436-L486 WeakPolarHBondContact CA-O 3.5Å; V436-I487 HydrophobicContact CG2-CG1 4.33Å
437Y95.2Very high84.7Confident2 Ų251.4 Ų51.41%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-123.6143.7179.1-65.8-97.5000110.1R378 F384 A435 F455 F456 N459 S461 Y485 L486 V488R378-Y437 WeakPolarHBondContact CD-OH 3.39Å; F384-Y437 AromaticContact CE1-CE2 3.98Å; F384-Y437 HydrophobicContact CE1-CE2 3.98Å; F384-Y437 HydrophobicContact CZ-CE2 4.16Å; A435-Y437 HydrophobicContact CB-CE2 3.73Å; Y437-F455 HydrophobicContact CD1-CE1 4.33Å; Y437-F455 HydrophobicContact CG-CE1 4.21Å; Y437-F456 HydrophobicContact CD1-CD1 4.48Å; Y437-F456 HydrophobicContact CD2-CD1 4.26Å; Y437-F456 HydrophobicContact CD2-CE1 4.02Å; Y437-F456 HydrophobicContact CE1-CD1 4.13Å; Y437-F456 AromaticContact CE2-CD1 3.9Å; Y437-F456 HydrophobicContact CE2-CD1 3.9Å; Y437-F456 AromaticContact CE2-CE1 3.95Å; Y437-F456 HydrophobicContact CE2-CE1 3.95Å; Y437-F456 HydrophobicContact CG-CE1 4.49Å; Y437-F456 AromaticContact CZ-CD1 3.84Å; Y437-N459 HydrophobicContact CD1-CB 4.36Å; Y437-N459 WeakPolarHBondContact CE1-O 3.45Å; Y437-S461 VanDerWaalsContact CE1-N 3.33Å; Y437-Y485 CarbonylContact O-C 3.52Å; Y437-Y485 WeakPolarHBondContact O-CA 3.46Å; Y437-Y485 WeakPolarHBondContact O-CB 3.49Å; Y437-L486 PolarHBondContact N-O 2.91Å; Y437-L486 PolarHBondContact O-N 3.23Å; Y437-V488 HydrophobicContact CD2-CG2 4.49Å
438E93.4Very high83.9Confident96 Ų9650.8 Ų50.845%0.44927%0.266SS..EExtended strand (participates in β ladder)trans-75138.5168.2-170.1-177.9168.700109.8P440 R444 Y485E438-P440 WeakPolarHBondContact O-CD 3.48Å; E438-R444 IonicContact OE1-NH2 3.83Å; E438-R444 PolarHBondContact OE1-NH2 2.78Å; E438-Y485 HydrophobicContact CB-CD1 4.09Å; E438-Y485 HydrophobicContact CB-CE1 4.04Å; E438-Y485 HydrophobicContact CG-CD1 4.37Å; E438-Y485 HydrophobicContact CG-CE1 4.05Å
439I88.2Confident83.4Confident3 Ų349.6 Ų49.62%0.01526%0.261CS..PPolyproline II helixtrans-86.1118.8176.5-64.1175.9000108.9K391 H443 R444 E484 L486 L515K391-I439 HydrophobicContact CB-CD1 4.44Å; K391-I439 HydrophobicContact CD-CD1 4.13Å; K391-I439 HydrophobicContact CG-CD1 3.85Å; I439-H443 HydrophobicContact CG2-CB 3.76Å; I439-R444 HydrophobicContact CG2-CG 4.35Å; I439-R444 PolarHBondContact O-NE 2.96Å; I439-E484 HydrophobicContact CB-CB 4.09Å; I439-E484 HydrophobicContact CD1-CB 4.18Å; I439-E484 PolarHBondContact N-O 3.28Å; I439-L486 HydrophobicContact CD1-CB 4.45Å; I439-L486 HydrophobicContact CG1-CB 4.28Å; I439-L515 HydrophobicContact CD1-CD1 4.16Å
440P84.6Confident83.1Confident32 Ų3248.6 Ų48.621%0.20826%0.256CS..PPolyproline II helixtrans-62152.8177.9-21.632.5000111.8E438 E442 H443 R444 F455E438-P440 WeakPolarHBondContact O-CD 3.48Å; P440-E442 HydrophobicContact CB-CG 3.77Å; P440-E442 PolarHBondContact O-N 2.97Å; P440-H443 PolarHBondContact O-N 3.37Å; P440-R444 PolarHBondContact O-N 3.46Å; P440-F455 HydrophobicContact CG-CE2 3.91Å
441E78.1Confident82.9Confident155 Ų15547.7 Ų47.772%0.72425%0.252SS*.G310 helixtrans-53.1-32.6-178-68.9-174.316100114.2H443 R444E441-H443 PolarHBondContact O-N 2.8Å; E441-R444 PolarHBondContact O-N 2.78Å
442E75.7Confident82.5Confident151 Ų15147.7 Ų47.771%0.70625%0.247SC*.G310 helixtrans-61.8-23176.144.2169.6-14600114.3P440P440-E442 HydrophobicContact CB-CG 3.77Å; P440-E442 PolarHBondContact O-N 2.97Å
443H72.4Confident82.2Confident58 Ų5851.1 Ų51.127%0.26926%0.262SS..G310 helixtrans-113.81-179.8-63.594.7000112.6I439 P440 E441 C446I439-H443 HydrophobicContact CG2-CB 3.76Å; P440-H443 PolarHBondContact O-N 3.37Å; E441-H443 PolarHBondContact O-N 2.8Å; H443-C446 VanDerWaalsContact O-CB 3.31Å; H443-C446 WeakPolarHBondContact O-CB 3.49Å; H443-C446 PolarHBondContact O-N 3.01Å
444R71.6Confident81.9Confident100 Ų10057 Ų5738%0.37729%0.293SS..THydrogen-bonded Turntrans-65.7140.7178.5-75-175.7-174.5179.8-3.2111.1E438 I439 P440 E441 C446 E484E438-R444 IonicContact OE1-NH2 3.83Å; E438-R444 PolarHBondContact OE1-NH2 2.78Å; I439-R444 HydrophobicContact CG2-CG 4.35Å; I439-R444 PolarHBondContact O-NE 2.96Å; P440-R444 PolarHBondContact O-N 3.46Å; E441-R444 PolarHBondContact O-N 2.78Å; R444-C446 PolarHBondContact O-N 2.74Å; R444-E484 WeakPolarHBondContact CA-OE2 3.38Å
445G64Low81.6Confident53 Ų5357.9 Ų57.955%0.54630%0.297SS..THydrogen-bonded Turntrans71.90.6-176.400000115.2Q447 E484G445-Q447 PolarHBondContact O-N 2.72Å; G445-E484 PolarHBondContact N-OE1 2.97Å; G445-E484 PolarHBondContact N-OE2 3.09Å
446C63.9Low81.4Confident48 Ų4857.6 Ų57.632%0.32429%0.294SS..  trans-75.6116.6169.5-65.10000108.8K391 H443 R444 V449K391-C446 PolarHBondContact NZ-O 2.7Å; H443-C446 VanDerWaalsContact O-CB 3.31Å; H443-C446 WeakPolarHBondContact O-CB 3.49Å; H443-C446 PolarHBondContact O-N 3.01Å; R444-C446 PolarHBondContact O-N 2.74Å; C446-V449 HydrophobicContact CB-CG2 3.97Å
447Q57.6Low81.2Confident101 Ų10161.8 Ų61.847%0.47232%0.316SS..SBendtrans-91.1-21.2179.5-63.8-175.1-48.700112.9G445 E513G445-Q447 PolarHBondContact O-N 2.72Å; Q447-E513 WeakPolarHBondContact CG-OE2 2.98Å; Q447-E513 PolarHBondContact NE2-OE1 3.4Å; Q447-E513 PolarHBondContact NE2-OE2 2.94Å
448N67.1Low81.1Confident74 Ų7466.5 Ų66.540%0.39635%0.349SS..SBendtrans-127.950.2-165.4-60-18.7000112.9D516 E518N448-D516 CarbonylContact C-O 3.57Å; N448-D516 VanDerWaalsContact CA-O 3.24Å; N448-D516 WeakPolarHBondContact CA-O 3.43Å; N448-E518 HydrophobicContact CB-CB 3.81Å; N448-E518 PolarHBondContact ND2-OE2 3.45Å
449V73.8Confident81.1Confident53 Ų5364.5 Ų64.532%0.32134%0.342SS..  trans-134.5120-177.6-178.80000111.4C446 L451 D516C446-V449 HydrophobicContact CB-CG2 3.97Å; V449-L451 HydrophobicContact CG1-CD2 4.49Å; V449-D516 PolarHBondContact N-O 3.28Å
450H84.1Confident81.3Confident0 Ų069.4 Ų69.40%038%0.377CS..  trans-81.6113.4168.6-171.695.3000110.7W385 N387 Q389 K452 D517 R632W385-H450 AromaticContact CE3-NE2 3.96Å; W385-H450 PolarHBondContact O-CE1 3.28Å; W385-H450 PolarHBondContact O-NE2 3.2Å; N387-H450 PolarHBondContact O-CE1 3.48Å; Q389-H450 PolarHBondContact NE2-CE1 2.69Å; Q389-H450 PolarHBondContact NE2-NE2 3.08Å; Q389-H450 VanDerWaalsContact NE2-NE2 3.16Å; H450-K452 WeakPolarHBondContact O-CD 3.4Å; H450-K452 WeakPolarHBondContact O-CE 3.14Å; H450-K452 PolarHBondContact O-N 3.09Å; H450-D517 PolarHBondContact N-OD1 3.49Å; H450-R632 PolarHBondContact CE1-NH1 2.79Å; H450-R632 VanDerWaalsContact CE1-NH1 3.33Å
451L88.9Confident81.7Confident9 Ų969.8 Ų69.85%0.04738%0.38CS..  trans-68.9130.6-177.3-65.2170.8000111.2Q389 V449 F455 F456 L486Q389-L451 PolarHBondContact NE2-O 3.15Å; V449-L451 HydrophobicContact CG1-CD2 4.49Å; L451-F455 HydrophobicContact CB-CB 4.32Å; L451-F455 HydrophobicContact CB-CD1 4.02Å; L451-F455 HydrophobicContact CB-CG 4.17Å; L451-F455 HydrophobicContact CD1-CD1 3.94Å; L451-F455 HydrophobicContact CD1-CD2 4.33Å; L451-F455 HydrophobicContact CD1-CE1 3.82Å; L451-F455 HydrophobicContact CD1-CE2 4.22Å; L451-F455 HydrophobicContact CD1-CG 4.21Å; L451-F455 HydrophobicContact CD1-CZ 3.96Å; L451-F455 HydrophobicContact CD2-CD2 4.46Å; L451-F455 HydrophobicContact CD2-CG 4.46Å; L451-F456 HydrophobicContact CB-CE2 4.31Å; L451-F456 HydrophobicContact CB-CZ 4.39Å; L451-F456 WeakPolarHBondContact O-CE2 3.37Å; L451-L486 HydrophobicContact CD1-CD1 4.29Å; L451-L486 HydrophobicContact CD1-CD2 3.72Å; L451-L486 HydrophobicContact CD1-CG 4.48Å
452K88.9Confident82.5Confident55 Ų5565.1 Ų65.124%0.23936%0.364CS..  trans-94.5174.6-170.6-46.4-68.4174.9173.50111.9W385 H450 N454 F455 D517 E636W385-K452 HydrophobicContact CE3-CB 4.36Å; W385-K452 HydrophobicContact CE3-CD 4.2Å; W385-K452 HydrophobicContact CZ3-CD 3.74Å; H450-K452 WeakPolarHBondContact O-CD 3.4Å; H450-K452 WeakPolarHBondContact O-CE 3.14Å; H450-K452 PolarHBondContact O-N 3.09Å; K452-N454 VanDerWaalsContact C-N 3.3Å; K452-N454 PolarHBondContact O-N 3.05Å; K452-N454 VanDerWaalsContact O-N 3.08Å; K452-F455 WeakPolarHBondContact O-CB 3.31Å; K452-F455 PolarHBondContact O-N 2.84Å; K452-D517 IonicContact NZ-OD2 3.24Å; K452-D517 PolarHBondContact NZ-OD2 2.86Å; K452-E636 IonicContact NZ-OE1 3.45Å; K452-E636 IonicContact NZ-OE2 2.69Å; K452-E636 PolarHBondContact NZ-OE2 2.94Å
453K90.6Very high83.3Confident73 Ų7358.6 Ų58.632%0.31734%0.336SS..Hα-helixtrans-43.9-46.4-175.8-173.7178.4-176.2177.10115.4N382 W385 F455 F456 L457N382-K453 WeakPolarHBondContact OD1-CE 3.31Å; N382-K453 PolarHBondContact OD1-NZ 3.28Å; W385-K453 HydrophobicContact CD2-CB 4.35Å; W385-K453 HydrophobicContact CG-CB 3.98Å; K453-F455 VanDerWaalsContact C-N 3.27Å; K453-F455 PolarHBondContact O-N 3.48Å; K453-F456 PolarHBondContact O-N 2.76Å; K453-L457 HydrophobicContact CG-CD1 4.06Å; K453-L457 HydrophobicContact CG-CG 4.4Å; K453-L457 WeakPolarHBondContact O-CG 3.05Å; K453-L457 PolarHBondContact O-N 2.87Å
454N90.1Very high84.3Confident122 Ų12263.7 Ų63.765%0.65235%0.353SS*.Hα-helixtrans-63.2-33-174.3-69.8-19.6000112.7K452 F456 L457 S458K452-N454 VanDerWaalsContact C-N 3.3Å; K452-N454 PolarHBondContact O-N 3.05Å; K452-N454 VanDerWaalsContact O-N 3.08Å; N454-F456 PolarHBondContact O-N 2.74Å; N454-L457 PolarHBondContact O-N 3.25Å; N454-S458 PolarHBondContact O-N 2.99Å; N454-S458 VanDerWaalsContact O-N 3.1Å; N454-S458 PolarHBondContact O-OG 3.31Å
455F91.8Very high85.2Confident19 Ų1959.1 Ų59.18%0.08334%0.336CS..Hα-helixtrans-57.5-51.8175.8172-99.1000111.1Y437 P440 L451 K452 K453 L457 S458 N459 L486Y437-F455 HydrophobicContact CD1-CE1 4.33Å; Y437-F455 HydrophobicContact CG-CE1 4.21Å; P440-F455 HydrophobicContact CG-CE2 3.91Å; L451-F455 HydrophobicContact CB-CB 4.32Å; L451-F455 HydrophobicContact CB-CD1 4.02Å; L451-F455 HydrophobicContact CB-CG 4.17Å; L451-F455 HydrophobicContact CD1-CD1 3.94Å; L451-F455 HydrophobicContact CD1-CD2 4.33Å; L451-F455 HydrophobicContact CD1-CE1 3.82Å; L451-F455 HydrophobicContact CD1-CE2 4.22Å; L451-F455 HydrophobicContact CD1-CG 4.21Å; L451-F455 HydrophobicContact CD1-CZ 3.96Å; L451-F455 HydrophobicContact CD2-CD2 4.46Å; L451-F455 HydrophobicContact CD2-CG 4.46Å; K452-F455 WeakPolarHBondContact O-CB 3.31Å; K452-F455 PolarHBondContact O-N 2.84Å; K453-F455 VanDerWaalsContact C-N 3.27Å; K453-F455 PolarHBondContact O-N 3.48Å; F455-L457 VanDerWaalsContact C-N 3.28Å; F455-L457 PolarHBondContact O-N 3.41Å; F455-S458 PolarHBondContact O-N 3.45Å; F455-N459 VanDerWaalsContact CD2-ND2 3.3Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.35Å; F455-N459 HydrophobicContact CE2-CB 4.31Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.3Å; F455-N459 HydrophobicContact CZ-CB 4.28Å; F455-N459 WeakPolarHBondContact O-CB 3.47Å; F455-N459 PolarHBondContact O-N 3.06Å; F455-N459 PolarHBondContact O-ND2 3.26Å; F455-L486 HydrophobicContact CE1-CD2 4.16Å
456F93.8Very high86.2Confident6 Ų664.5 Ų64.53%0.02635%0.347CS..Hα-helixtrans-72.3-20-177.4-61-73.3000114R378 F384 W385 Y437 L451 K453 N454 L486 V488R378-F456 VanDerWaalsContact CZ-O 3.31Å; R378-F456 PolarHBondContact NE-O 2.94Å; R378-F456 VanDerWaalsContact NE-O 3.17Å; R378-F456 PolarHBondContact NH2-O 2.85Å; F384-F456 HydrophobicContact CD1-CB 4.23Å; F384-F456 AromaticContact CD1-CD1 3.92Å; F384-F456 HydrophobicContact CD1-CD1 3.92Å; F384-F456 HydrophobicContact CD1-CD2 4.4Å; F384-F456 HydrophobicContact CD1-CE1 4.36Å; F384-F456 AromaticContact CD1-CG 3.92Å; F384-F456 HydrophobicContact CD1-CG 3.92Å; F384-F456 AromaticContact CE1-CD1 3.55Å; F384-F456 HydrophobicContact CE1-CD1 3.55Å; F384-F456 AromaticContact CE1-CE1 3.79Å; F384-F456 HydrophobicContact CE1-CE1 3.79Å; F384-F456 HydrophobicContact CE1-CG 4.05Å; F384-F456 HydrophobicContact CE1-CZ 4.47Å; W385-F456 HydrophobicContact CB-CD2 3.49Å; W385-F456 VanDerWaalsContact CB-CD2 3.49Å; W385-F456 HydrophobicContact CB-CE2 3.58Å; Y437-F456 HydrophobicContact CD1-CD1 4.48Å; Y437-F456 HydrophobicContact CD2-CD1 4.26Å; Y437-F456 HydrophobicContact CD2-CE1 4.02Å; Y437-F456 HydrophobicContact CE1-CD1 4.13Å; Y437-F456 AromaticContact CE2-CD1 3.9Å; Y437-F456 HydrophobicContact CE2-CD1 3.9Å; Y437-F456 AromaticContact CE2-CE1 3.95Å; Y437-F456 HydrophobicContact CE2-CE1 3.95Å; Y437-F456 HydrophobicContact CG-CE1 4.49Å; Y437-F456 AromaticContact CZ-CD1 3.84Å; L451-F456 HydrophobicContact CB-CE2 4.31Å; L451-F456 HydrophobicContact CB-CZ 4.39Å; L451-F456 WeakPolarHBondContact O-CE2 3.37Å; K453-F456 PolarHBondContact O-N 2.76Å; N454-F456 PolarHBondContact O-N 2.74Å; F456-L486 HydrophobicContact CE1-CD2 3.76Å; F456-L486 HydrophobicContact CZ-CD2 3.7Å; F456-V488 HydrophobicContact CE1-CG2 3.83Å; F456-V488 HydrophobicContact CZ-CG2 3.99Å
457L92.5Very high87.2Confident87 Ų8766.3 Ų66.346%0.45536%0.357SS..Hα-helixtrans-76.7-35.2172.9-70.4179000111.9P381 K453 N454 F455P381-L457 HydrophobicContact CB-CD2 3.9Å; K453-L457 HydrophobicContact CG-CD1 4.06Å; K453-L457 HydrophobicContact CG-CG 4.4Å; K453-L457 WeakPolarHBondContact O-CG 3.05Å; K453-L457 PolarHBondContact O-N 2.87Å; N454-L457 PolarHBondContact O-N 3.25Å; F455-L457 VanDerWaalsContact C-N 3.28Å; F455-L457 PolarHBondContact O-N 3.41Å
458S91.9Very high88.8Confident101 Ų10164.4 Ų64.471%0.70635%0.347SS*.Hα-helixtrans-89-23.1-177.7-590000113.8N454 F455N454-S458 PolarHBondContact O-N 2.99Å; N454-S458 VanDerWaalsContact O-N 3.1Å; N454-S458 PolarHBondContact O-OG 3.31Å; F455-S458 PolarHBondContact O-N 3.45Å
459N92.6Very high89.9Confident54 Ų5463 Ų6329%0.28934%0.339SS..  trans-112.6139.2-175.4-63.4-79000112.2Y437 F455Y437-N459 HydrophobicContact CD1-CB 4.36Å; Y437-N459 WeakPolarHBondContact CE1-O 3.45Å; F455-N459 VanDerWaalsContact CD2-ND2 3.3Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.35Å; F455-N459 HydrophobicContact CE2-CB 4.31Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.3Å; F455-N459 HydrophobicContact CZ-CB 4.28Å; F455-N459 WeakPolarHBondContact O-CB 3.47Å; F455-N459 PolarHBondContact O-N 3.06Å; F455-N459 PolarHBondContact O-ND2 3.26Å
460S92.7Very high90.7Very high107 Ų10764.7 Ų64.775%0.74835%0.346SS*.  trans-91148.2171.553.10000111.1C462S460-C462 PolarHBondContact O-N 3.34Å
461S94.2Very high90.9Very high40 Ų4067 Ų6728%0.2836%0.358SS..  trans-65.8131.6172.756.50000110.5V436 Y437V436-S461 CarbonylContact O-C 3.58Å; V436-S461 WeakPolarHBondContact O-CA 3.3Å; V436-S461 VanDerWaalsContact O-CB 3.31Å; V436-S461 WeakPolarHBondContact O-CB 3.36Å; Y437-S461 VanDerWaalsContact CE1-N 3.33Å
462C93.5Very high91.1Very high56 Ų5667 Ų6738%0.37836%0.357SS..SBendtrans-80.1-29.3173.757.60000112.1V436 S460 L480V436-C462 PolarHBondContact O-N 2.88Å; V436-C462 PolarHBondContact O-SG 3.33Å; V436-C462 VanDerWaalsContact O-SG 3.39Å; S460-C462 PolarHBondContact O-N 3.34Å; C462-L480 HydrophobicContact CB-CD2 4.32Å
463A93.3Very high91.2Very high15 Ų1565 Ų6512%0.12435%0.349CS..EExtended strand (participates in β ladder)trans-146.3167.2173.300000110.8V436 L478 L480V436-A463 WeakPolarHBondContact CA-O 3.46Å; V436-A463 HydrophobicContact CB-CB 3.98Å; V436-A463 HydrophobicContact CG2-CB 4.21Å; V436-A463 PolarHBondContact N-O 3.27Å; V436-A463 PolarHBondContact O-N 2.75Å; A463-L478 HydrophobicContact CB-CD1 3.83Å; A463-L478 HydrophobicContact CB-CD2 3.87Å; A463-L478 HydrophobicContact CB-CG 4.38Å; A463-L480 HydrophobicContact CB-CD1 4.36Å; A463-L480 HydrophobicContact CB-CD2 4.32Å
464R93.2Very high91.3Very high165 Ų16562 Ų6262%0.62334%0.337SS*.EExtended strand (participates in β ladder)trans-164.3162.8178.156.9-177.3179.2-171-0.3110.2F434 E466F434-R464 WeakPolarHBondContact O-CA 3.28Å; F434-R464 WeakPolarHBondContact O-CB 3.3Å; R464-E466 PolarHBondContact O-N 2.78Å
465S90.9Very high91.3Very high3 Ų357.7 Ų57.72%0.02132%0.316CS..  trans-56.7137.7163.756.40000109.8G433 F434 T467G433-S465 WeakPolarHBondContact CA-OG 3.4Å; F434-S465 PolarHBondContact N-OG 3.03Å; F434-S465 VanDerWaalsContact N-OG 3.1Å; F434-S465 PolarHBondContact O-N 3.02Å; F434-S465 PolarHBondContact O-OG 2.56Å; S465-T467 VanDerWaalsContact C-N 3.26Å; S465-T467 PolarHBondContact O-N 2.98Å
466E84.4Confident91.2Very high167 Ų16757.5 Ų57.578%0.7832%0.316SS*.SBendtrans-55.1-43-175.7-66-169.2165.300112.7R464 T476R464-E466 PolarHBondContact O-N 2.78Å; E466-T476 HydrophobicContact CG-CG2 4.27Å
467T85.8Confident90.8Very high86 Ų8661.8 Ų61.853%0.52833%0.332SS..  trans-141.1151.8176.658.70000110.9S465S465-T467 VanDerWaalsContact C-N 3.26Å; S465-T467 PolarHBondContact O-N 2.98Å
468F91.2Very high90.6Very high60 Ų6058.5 Ų58.526%0.26332%0.315SS..  trans-83.1117.7164.3-91.1-109.1000107.5C377 T431 I432 S490 F492C377-F468 HydrophobicContact CB-CD1 4.43Å; C377-F468 HydrophobicContact CB-CE1 3.69Å; C377-F468 HydrophobicContact CB-CE2 4.31Å; C377-F468 HydrophobicContact CB-CZ 3.63Å; T431-F468 HydrophobicContact CG2-CB 3.78Å; T431-F468 WeakPolarHBondContact CG2-O 3.39Å; I432-F468 VanDerWaalsContact C-CD1 3.47Å; I432-F468 WeakPolarHBondContact O-CA 3.47Å; F468-S490 WeakPolarHBondContact CE1-O 3.41Å; F468-S490 WeakPolarHBondContact CZ-OG 3.36Å; F468-F492 HydrophobicContact CB-CD2 3.79Å; F468-F492 HydrophobicContact CD1-CB 3.85Å; F468-F492 AromaticContact CD1-CD2 3.94Å; F468-F492 HydrophobicContact CD1-CD2 3.94Å; F468-F492 HydrophobicContact CD1-CG 4.41Å; F468-F492 AromaticContact CG-CD2 3.89Å; F468-F492 HydrophobicContact CG-CD2 3.89Å
469I89.9Confident90.4Very high46 Ų4658.3 Ų58.324%0.23630%0.299CS..BIsolated β-bridgetrans-135.8151.5-173-166.1170000110.8T431 I432 L471 V474T431-I469 WeakPolarHBondContact CA-O 3.33Å; I432-I469 PolarHBondContact N-O 2.76Å; I432-I469 PolarHBondContact O-N 3.35Å; I469-L471 HydrophobicContact CD1-CD1 4.01Å; I469-L471 HydrophobicContact CD1-CG 4.01Å; I469-L471 HydrophobicContact CG1-CD1 4.48Å; I469-L471 HydrophobicContact CG1-CG 4.03Å; I469-L471 HydrophobicContact CG2-CB 4.21Å; I469-L471 HydrophobicContact CG2-CD1 3.98Å; I469-L471 HydrophobicContact CG2-CG 3.92Å; I469-L471 PolarHBondContact O-N 2.95Å; I469-L471 VanDerWaalsContact O-N 3.15Å; I469-V474 HydrophobicContact CG2-CG2 3.49Å; I469-V474 VanDerWaalsContact CG2-CG2 3.49Å
470N89.8Confident90.3Very high87 Ų8756.5 Ų56.547%0.46529%0.289SS..  trans-8649.9179.663.6-41.3000112.3M429 H430M429-N470 HydrophobicContact CB-CB 4.42Å; M429-N470 WeakPolarHBondContact CB-O 3.4Å; H430-N470 WeakPolarHBondContact O-CA 3.49Å
471L88.9Confident90.2Very high48 Ų4854.7 Ų54.725%0.25128%0.275SS..SBendtrans-98.2162.8171.4-64.8-179.7000110.7Q416 I469 E473Q416-L471 PolarHBondContact NE2-O 2.87Å; I469-L471 HydrophobicContact CD1-CD1 4.01Å; I469-L471 HydrophobicContact CD1-CG 4.01Å; I469-L471 HydrophobicContact CG1-CD1 4.48Å; I469-L471 HydrophobicContact CG1-CG 4.03Å; I469-L471 HydrophobicContact CG2-CB 4.21Å; I469-L471 HydrophobicContact CG2-CD1 3.98Å; I469-L471 HydrophobicContact CG2-CG 3.92Å; I469-L471 PolarHBondContact O-N 2.95Å; I469-L471 VanDerWaalsContact O-N 3.15Å; L471-E473 VanDerWaalsContact C-N 3.32Å; L471-E473 WeakPolarHBondContact CB-O 3.47Å
472R92.1Very high90Very high9 Ų955.3 Ų55.33%0.03428%0.278CS..SBendtrans-61.5-42.9174-168.5179.676.4162.912.3111.7E205 E208 D209 M415 Q416 M429E205-R472 HydrophobicContact CG-CB 3.93Å; E205-R472 PolarHBondContact O-NH1 3.27Å; E205-R472 PolarHBondContact O-NH2 2.8Å; E208-R472 VanDerWaalsContact CB-NH2 3.3Å; E208-R472 IonicContact OE2-CZ 3.98Å; E208-R472 IonicContact OE2-NE 2.63Å; E208-R472 IonicContact OE2-NH2 2.75Å; E208-R472 PolarHBondContact OE2-NH2 2.87Å; D209-R472 IonicContact OD1-CZ 2.72Å; D209-R472 IonicContact OD1-NH1 3.55Å; D209-R472 PolarHBondContact OD1-NH1 2.88Å; D209-R472 IonicContact OD1-NH2 3.16Å; D209-R472 PolarHBondContact OD1-NH2 3.4Å; D209-R472 IonicContact OD2-CZ 3.5Å; D209-R472 IonicContact OD2-NH1 3.55Å; D209-R472 PolarHBondContact OD2-NH1 3.4Å; M415-R472 CarbonylContact C-O 3.49Å; M415-R472 WeakPolarHBondContact CA-O 3.44Å; M415-R472 HydrophobicContact CG-CG 4.19Å; Q416-R472 WeakPolarHBondContact CG-O 3.28Å; Q416-R472 PolarHBondContact N-O 2.82Å; M429-R472 HydrophobicContact CE-CB 3.74Å; M429-R472 HydrophobicContact CE-CG 3.91Å; M429-R472 HydrophobicContact SD-CB 4.15Å; M429-R472 HydrophobicContact SD-CG 4.4Å
473E92.4Very high89.8Confident15 Ų1553.3 Ų53.37%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-127.7143.7175.3177.5163.210500110.8A413 L414 M415 L471 R503A413-E473 HydrophobicContact CB-CG 4.34Å; L414-E473 CarbonylContact O-C 3.55Å; L414-E473 VanDerWaalsContact O-CA 3.28Å; L414-E473 WeakPolarHBondContact O-CA 3.3Å; M415-E473 HydrophobicContact CB-CB 4.16Å; M415-E473 HydrophobicContact CB-CG 4.35Å; M415-E473 WeakPolarHBondContact CB-OE2 3.44Å; M415-E473 HydrophobicContact CE-CB 4.14Å; M415-E473 HydrophobicContact CE-CG 4.5Å; M415-E473 WeakPolarHBondContact CE-OE2 3.49Å; M415-E473 HydrophobicContact CG-CB 4.21Å; L471-E473 VanDerWaalsContact C-N 3.32Å; L471-E473 WeakPolarHBondContact CB-O 3.47Å; E473-R503 IonicContact OE1-NH2 2.65Å; E473-R503 PolarHBondContact OE1-NH2 3.1Å; E473-R503 IonicContact OE2-CZ 3.21Å; E473-R503 IonicContact OE2-NE 3.3Å; E473-R503 PolarHBondContact OE2-NE 3.22Å; E473-R503 IonicContact OE2-NH2 2.63Å; E473-R503 PolarHBondContact OE2-NH2 2.85Å
474V91.8Very high89.7Confident9 Ų954.2 Ų54.26%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-118.7116.2167.5177.40000107.9L414 I432 I469L414-V474 PolarHBondContact N-O 2.99Å; L414-V474 PolarHBondContact O-N 2.66Å; I432-V474 HydrophobicContact CD1-CG2 4.28Å; I432-V474 HydrophobicContact CG1-CG2 3.77Å; I469-V474 HydrophobicContact CG2-CG2 3.49Å; I469-V474 VanDerWaalsContact CG2-CG2 3.49Å
475S91.3Very high89.6Confident31 Ų3146.5 Ų46.522%0.21724%0.24CC..EExtended strand (participates in β ladder)trans-117.2146.2177.661.60000111.4S215 V412S215-S475 WeakPolarHBondContact O-CB 2.93Å; S215-S475 PolarHBondContact O-OG 2.89Å; V412-S475 CarbonylContact O-C 3.3Å; V412-S475 WeakPolarHBondContact O-CA 3.45Å
476T88.7Confident89.8Confident15 Ų1546.4 Ų46.49%0.09224%0.239CC..EExtended strand (participates in β ladder)trans-149.6127.8175.3-54.50000110.1L411 V412 E466 L478L411-T476 VanDerWaalsContact CD1-C 3.49Å; V412-T476 PolarHBondContact N-O 2.83Å; V412-T476 VanDerWaalsContact N-O 3.14Å; V412-T476 PolarHBondContact O-N 2.91Å; E466-T476 HydrophobicContact CG-CG2 4.27Å; T476-L478 HydrophobicContact CG2-CD2 3.75Å; T476-L478 HydrophobicContact CG2-CG 4.32Å
477R86Confident90.3Very high96 Ų9638.4 Ų38.436%0.36220%0.202SC..EExtended strand (participates in β ladder)trans-78.4127.4172.4-178.6176.4-70.8-84.2-6.4108.8E216 W359 L411E216-R477 IonicContact OE1-CZ 3.49Å; E216-R477 IonicContact OE1-NE 3.78Å; E216-R477 IonicContact OE1-NH2 3.93Å; E216-R477 PolarHBondContact OE1-NH2 3.49Å; E216-R477 IonicContact OE2-CZ 2.78Å; E216-R477 IonicContact OE2-NE 3.15Å; E216-R477 PolarHBondContact OE2-NE 3.38Å; E216-R477 IonicContact OE2-NH2 3.33Å; E216-R477 PolarHBondContact OE2-NH2 2.81Å; W359-R477 VanDerWaalsContact CZ2-NH1 3.27Å; L411-R477 HydrophobicContact CD1-CB 4.01Å
478L87.9Confident90.9Very high18 Ų1834.3 Ų34.39%0.09418%0.176CC..EExtended strand (participates in β ladder)trans-126.3150.1-174.1-62.6178.4000110.1F410 V412 F434 V436 A463 T476F410-L478 HydrophobicContact CD1-CB 4.13Å; F410-L478 HydrophobicContact CE1-CB 3.59Å; F410-L478 HydrophobicContact CE2-CB 4.07Å; F410-L478 HydrophobicContact CE2-CD1 3.82Å; F410-L478 HydrophobicContact CZ-CB 3.56Å; F410-L478 HydrophobicContact CZ-CD1 3.69Å; F410-L478 HydrophobicContact CZ-CG 4.27Å; F410-L478 PolarHBondContact N-O 2.77Å; F410-L478 PolarHBondContact O-N 2.85Å; F410-L478 VanDerWaalsContact O-O 3.12Å; V412-L478 HydrophobicContact CG2-CD1 4.25Å; F434-L478 HydrophobicContact CE2-CD1 4.17Å; V436-L478 HydrophobicContact CG2-CD1 3.94Å; A463-L478 HydrophobicContact CB-CD1 3.83Å; A463-L478 HydrophobicContact CB-CD2 3.87Å; A463-L478 HydrophobicContact CB-CG 4.38Å; T476-L478 HydrophobicContact CG2-CD2 3.75Å; T476-L478 HydrophobicContact CG2-CG 4.32Å
479R86.9Confident91.2Very high98 Ų9831.5 Ų31.537%0.3716%0.164SC..EExtended strand (participates in β ladder)trans-128.3121.5173.1-68.1-17563-169.4-7.1108D403 A407 C408D403-R479 IonicContact OD1-CZ 3.99Å; D403-R479 IonicContact OD1-NH1 3.45Å; D403-R479 IonicContact OD1-NH2 3.74Å; D403-R479 PolarHBondContact OD1-NH2 2.85Å; D403-R479 IonicContact OD2-CZ 3.17Å; D403-R479 IonicContact OD2-NH1 3.65Å; D403-R479 PolarHBondContact OD2-NH1 2.87Å; D403-R479 IonicContact OD2-NH2 3.06Å; D403-R479 PolarHBondContact OD2-NH2 3.38Å; A407-R479 HydrophobicContact CB-CB 4.24Å; C408-R479 WeakPolarHBondContact O-CA 3.39Å
480L91Very high91.6Very high16 Ų1629.3 Ų29.38%0.08415%0.153CC..EExtended strand (participates in β ladder)trans-138.4151.6179.5-67.9177.1000109.2L394 C408 F410 V436 C462 A463 Y485L394-L480 HydrophobicContact CD1-CB 4.07Å; C408-L480 PolarHBondContact N-O 3.24Å; C408-L480 PolarHBondContact O-N 2.81Å; F410-L480 HydrophobicContact CE1-CB 4.06Å; F410-L480 HydrophobicContact CE1-CD1 3.75Å; F410-L480 HydrophobicContact CE1-CG 3.87Å; F410-L480 HydrophobicContact CZ-CD1 3.63Å; F410-L480 HydrophobicContact CZ-CG 4.21Å; V436-L480 HydrophobicContact CG1-CD1 4.07Å; C462-L480 HydrophobicContact CB-CD2 4.32Å; A463-L480 HydrophobicContact CB-CD1 4.36Å; A463-L480 HydrophobicContact CB-CD2 4.32Å; L480-Y485 HydrophobicContact CB-CE1 4.24Å; L480-Y485 HydrophobicContact CB-CE2 4.11Å; L480-Y485 HydrophobicContact CD1-CD1 3.77Å; L480-Y485 HydrophobicContact CD1-CD2 4.33Å; L480-Y485 HydrophobicContact CD1-CE1 3.74Å; L480-Y485 HydrophobicContact CD1-CE2 4.3Å; L480-Y485 HydrophobicContact CD1-CG 4.08Å; L480-Y485 HydrophobicContact CG-CE1 4.41Å
481P90.6Very high91.9Very high69 Ų6925.2 Ų25.245%0.44813%0.131SC..  trans-64.8161.3175.725.7-31.7000111.5G483 Y485P481-G483 PolarHBondContact O-N 2.91Å; P481-Y485 VanDerWaalsContact CD-OH 3.31Å; P481-Y485 WeakPolarHBondContact CD-OH 3.43Å; P481-Y485 WeakPolarHBondContact CG-OH 3.5Å; P481-Y485 WeakPolarHBondContact O-CE2 3.33Å; P481-Y485 PolarHBondContact O-OH 2.74Å
482P89.9Confident92.3Very high52 Ų5226.4 Ų26.434%0.33813%0.134SC..SBendtrans-53134.1172.9-2532.5000112L394 E397L394-P482 CarbonylContact O-C 3.55Å; L394-P482 VanDerWaalsContact O-CA 3.32Å; L394-P482 WeakPolarHBondContact O-CA 3.44Å; E397-P482 HydrophobicContact CG-CG 3.86Å
483G89.6Confident92.5Very high15 Ų1530.1 Ų30.116%0.15515%0.152CC..EExtended strand (participates in β ladder)trans161.4-179.6-174.200000114.4L394 P481L394-G483 PolarHBondContact N-O 2.97Å; L394-G483 PolarHBondContact O-N 3.1Å; P481-G483 PolarHBondContact O-N 2.91Å
484E90.7Very high92.6Very high34 Ų3431.8 Ų31.816%0.15916%0.164CC..EExtended strand (participates in β ladder)trans-100.3130.4176.4-65.6-176.1-165.600110.5I392 T393 I439 R444 G445I392-E484 WeakPolarHBondContact O-CA 3.48Å; T393-E484 HydrophobicContact CG2-CG 4.17Å; I439-E484 HydrophobicContact CB-CB 4.09Å; I439-E484 HydrophobicContact CD1-CB 4.18Å; I439-E484 PolarHBondContact N-O 3.28Å; R444-E484 WeakPolarHBondContact CA-OE2 3.38Å; G445-E484 PolarHBondContact N-OE1 2.97Å; G445-E484 PolarHBondContact N-OE2 3.09Å
485Y92.4Very high92.6Very high3 Ų332.5 Ų32.51%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-132.5154-178.3-54.9-89.3000112.1K391 I392 L394 V436 Y437 E438 L480 P481K391-Y485 CarbonylContact C-O 3.53Å; K391-Y485 VanDerWaalsContact CA-O 3.24Å; K391-Y485 WeakPolarHBondContact CA-O 3.33Å; I392-Y485 HydrophobicContact CD1-CD2 4.48Å; I392-Y485 HydrophobicContact CG1-CD2 4.37Å; I392-Y485 HydrophobicContact CG1-CG 4.47Å; I392-Y485 PolarHBondContact N-O 2.79Å; I392-Y485 PolarHBondContact O-N 3.02Å; L394-Y485 HydrophobicContact CB-CE2 4.47Å; L394-Y485 HydrophobicContact CD1-CD2 3.89Å; L394-Y485 HydrophobicContact CD1-CE2 3.68Å; L394-Y485 HydrophobicContact CG-CD2 4.15Å; L394-Y485 HydrophobicContact CG-CE2 4.16Å; V436-Y485 HydrophobicContact CG1-CD1 4.38Å; V436-Y485 HydrophobicContact CG1-CG 4.39Å; Y437-Y485 CarbonylContact O-C 3.52Å; Y437-Y485 WeakPolarHBondContact O-CA 3.46Å; Y437-Y485 WeakPolarHBondContact O-CB 3.49Å; E438-Y485 HydrophobicContact CB-CD1 4.09Å; E438-Y485 HydrophobicContact CB-CE1 4.04Å; E438-Y485 HydrophobicContact CG-CD1 4.37Å; E438-Y485 HydrophobicContact CG-CE1 4.05Å; L480-Y485 HydrophobicContact CB-CE1 4.24Å; L480-Y485 HydrophobicContact CB-CE2 4.11Å; L480-Y485 HydrophobicContact CD1-CD1 3.77Å; L480-Y485 HydrophobicContact CD1-CD2 4.33Å; L480-Y485 HydrophobicContact CD1-CE1 3.74Å; L480-Y485 HydrophobicContact CD1-CE2 4.3Å; L480-Y485 HydrophobicContact CD1-CG 4.08Å; L480-Y485 HydrophobicContact CG-CE1 4.41Å; P481-Y485 VanDerWaalsContact CD-OH 3.31Å; P481-Y485 WeakPolarHBondContact CD-OH 3.43Å; P481-Y485 WeakPolarHBondContact CG-OH 3.5Å; P481-Y485 WeakPolarHBondContact O-CE2 3.33Å; P481-Y485 PolarHBondContact O-OH 2.74Å
486L93.9Very high92.6Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-110.3120178.1-171.476.9000110.5Q389 Y390 V436 Y437 I439 L451 F455 F456 V488 L515Q389-L486 HydrophobicContact CB-CD1 3.75Å; Q389-L486 HydrophobicContact CB-CG 4.39Å; Y390-L486 CarbonylContact O-C 3.6Å; Y390-L486 WeakPolarHBondContact O-CA 3.35Å; V436-L486 CarbonylContact C-O 3.53Å; V436-L486 WeakPolarHBondContact CA-O 3.5Å; Y437-L486 PolarHBondContact N-O 2.91Å; Y437-L486 PolarHBondContact O-N 3.23Å; I439-L486 HydrophobicContact CD1-CB 4.45Å; I439-L486 HydrophobicContact CG1-CB 4.28Å; L451-L486 HydrophobicContact CD1-CD1 4.29Å; L451-L486 HydrophobicContact CD1-CD2 3.72Å; L451-L486 HydrophobicContact CD1-CG 4.48Å; F455-L486 HydrophobicContact CE1-CD2 4.16Å; F456-L486 HydrophobicContact CE1-CD2 3.76Å; F456-L486 HydrophobicContact CZ-CD2 3.7Å; L486-V488 HydrophobicContact CD2-CG2 3.66Å; L486-V488 HydrophobicContact CG-CG2 4Å; L486-L515 HydrophobicContact CD1-CB 4.39Å; L486-L515 HydrophobicContact CD1-CD1 3.34Å; L486-L515 HydrophobicContact CD1-CG 4.48Å
487I96Very high92.8Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-94.1125.5168.6-52.4176.2000109.1Y390 I392 V412 F434 V436 P489 L502 V504Y390-I487 PolarHBondContact N-O 2.92Å; Y390-I487 PolarHBondContact O-N 3Å; I392-I487 HydrophobicContact CD1-CD1 4.14Å; I392-I487 HydrophobicContact CD1-CG1 4.26Å; I392-I487 HydrophobicContact CG1-CG1 4.46Å; I392-I487 HydrophobicContact CG2-CD1 3.62Å; I392-I487 HydrophobicContact CG2-CG1 4.25Å; V412-I487 HydrophobicContact CG1-CD1 4.09Å; V412-I487 HydrophobicContact CG1-CG2 4.24Å; V412-I487 HydrophobicContact CG2-CD1 3.77Å; F434-I487 HydrophobicContact CB-CG2 4.19Å; F434-I487 HydrophobicContact CD2-CG2 4.29Å; F434-I487 HydrophobicContact CG-CG2 4.45Å; V436-I487 HydrophobicContact CG2-CG1 4.33Å; I487-P489 WeakPolarHBondContact O-CD 3.33Å; I487-L502 HydrophobicContact CB-CD2 4.39Å; I487-L502 HydrophobicContact CG2-CD1 4.32Å; I487-L502 HydrophobicContact CG2-CD2 4.03Å; I487-V504 HydrophobicContact CD1-CG2 3.73Å
488V97.3Very high93Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-116.596.7174.9-172.90000109.7F384 N387 Q389 F434 A435 Y437 F456 L486F384-V488 HydrophobicContact CE1-CB 4.43Å; F384-V488 HydrophobicContact CE1-CG1 4.16Å; F384-V488 HydrophobicContact CE2-CB 4.41Å; F384-V488 HydrophobicContact CE2-CG1 3.83Å; F384-V488 HydrophobicContact CZ-CB 3.8Å; F384-V488 HydrophobicContact CZ-CG1 3.59Å; F384-V488 HydrophobicContact CZ-CG2 4.38Å; N387-V488 HydrophobicContact CB-CG1 3.79Å; Q389-V488 HydrophobicContact CG-CG2 4.38Å; F434-V488 WeakPolarHBondContact CA-O 3.5Å; A435-V488 PolarHBondContact N-O 2.78Å; A435-V488 PolarHBondContact O-N 3.02Å; Y437-V488 HydrophobicContact CD2-CG2 4.49Å; F456-V488 HydrophobicContact CE1-CG2 3.83Å; F456-V488 HydrophobicContact CZ-CG2 3.99Å; L486-V488 HydrophobicContact CD2-CG2 3.66Å; L486-V488 HydrophobicContact CG-CG2 4Å
489P97.6Very high93.3Very high0 Ų036.6 Ų36.60%019%0.193CC..EExtended strand (participates in β ladder)trans-77.3136.7173.731.6-35.1000111.5W368 P388 Y390 L414 I487 F500W368-P489 HydrophobicContact CZ2-CB 4.14Å; W368-P489 PolarHBondContact NE1-O 3.02Å; W368-P489 VanDerWaalsContact NE1-O 3.1Å; P388-P489 WeakPolarHBondContact O-CD 3.28Å; Y390-P489 HydrophobicContact CD2-CG 3.96Å; Y390-P489 HydrophobicContact CE2-CG 3.64Å; L414-P489 HydrophobicContact CD1-CB 3.56Å; L414-P489 HydrophobicContact CD2-CB 3.61Å; L414-P489 HydrophobicContact CG-CB 4.2Å; I487-P489 WeakPolarHBondContact O-CD 3.33Å; P489-F500 HydrophobicContact CB-CE2 4.19Å; P489-F500 HydrophobicContact CB-CZ 4.34Å; P489-F500 HydrophobicContact CG-CE2 3.64Å; P489-F500 HydrophobicContact CG-CZ 3.62Å
490S97.8Very high93.6Very high0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-151157.8-178.661.30000112.8G376 G433 F468G376-S490 WeakPolarHBondContact O-CB 3.09Å; G433-S490 PolarHBondContact N-O 3.28Å; G433-S490 PolarHBondContact O-N 2.83Å; F468-S490 WeakPolarHBondContact CE1-O 3.41Å; F468-S490 WeakPolarHBondContact CZ-OG 3.36Å
491T97.4Very high93.8Very high1 Ų131.2 Ų31.21%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-74.8159.8157.3530000110W368 G376 C377 H430 T431 I432 E493 K496W368-T491 HydrophobicContact CD2-CG2 4.16Å; W368-T491 HydrophobicContact CE3-CG2 3.85Å; W368-T491 HydrophobicContact CZ3-CG2 4.06Å; G376-T491 CarbonylContact C-O 3.59Å; G376-T491 VanDerWaalsContact CA-O 3.26Å; G376-T491 WeakPolarHBondContact CA-O 3.23Å; C377-T491 PolarHBondContact N-O 2.92Å; H430-T491 HydrophobicContact CB-CG2 4.13Å; T431-T491 CarbonylContact O-C 3.5Å; T431-T491 WeakPolarHBondContact O-CA 3.46Å; I432-T491 HydrophobicContact CG2-CG2 4.09Å; T491-E493 PolarHBondContact OG1-O 3.04Å; T491-K496 HydrophobicContact CG2-CB 3.83Å
492F96.4Very high93.9Very high73 Ų7328 Ų2832%0.3215%0.15SC..SBendtrans-63.4-54.7176.8-171.7-94.9000111.4C377 H380 T431 F468C377-F492 PolarHBondContact N-O 2.78Å; C377-F492 PolarHBondContact SG-O 3.15Å; H380-F492 PolarHBondContact CE1-O 3.27Å; H380-F492 PolarHBondContact ND1-O 3.03Å; T431-F492 HydrophobicContact CG2-CB 3.95Å; T431-F492 PolarHBondContact O-N 3.19Å; F468-F492 HydrophobicContact CB-CD2 3.79Å; F468-F492 HydrophobicContact CD1-CB 3.85Å; F468-F492 AromaticContact CD1-CD2 3.94Å; F468-F492 HydrophobicContact CD1-CD2 3.94Å; F468-F492 HydrophobicContact CD1-CG 4.41Å; F468-F492 AromaticContact CG-CD2 3.89Å; F468-F492 HydrophobicContact CG-CD2 3.89Å
493E96.5Very high94Very high88 Ų8825.5 Ų25.541%0.41114%0.135SC..SBendtrans-88.1145.4176.4-64.5-59.5146.900111.4H380 T491 K496H380-E493 IonicContact CE1-OE2 3.65Å; H380-E493 IonicContact NE2-OE2 2.75Å; T491-E493 PolarHBondContact OG1-O 3.04Å; E493-K496 HydrophobicContact CB-CG 4.19Å
494P94.5Very high94Very high50 Ų5024.9 Ų24.933%0.32513%0.127SC..THydrogen-bonded Turntrans-69.5163.7172.430.7-34.8000111.9K496P494-K496 PolarHBondContact O-N 3.49Å; P494-K496 VanDerWaalsContact O-N 3.17Å
495G91.4Very high93.7Very high24 Ų2423.3 Ų23.325%0.24712%0.12CC..THydrogen-bonded Turntrans715.5175.600000115.3A374A374-G495 PolarHBondContact O-N 3.17Å
496K93.1Very high93.1Very high91 Ų9123.4 Ų23.440%0.39612%0.121SC..  trans-80.5127.2173.2-63.1-63.2-177177.40110.3W368 A374 T491 E493 P494W368-K496 WeakPolarHBondContact CB-O 3.47Å; A374-K496 VanDerWaalsContact CB-O 3.29Å; A374-K496 WeakPolarHBondContact CB-O 3.24Å; T491-K496 HydrophobicContact CG2-CB 3.83Å; E493-K496 HydrophobicContact CB-CG 4.19Å; P494-K496 PolarHBondContact O-N 3.49Å; P494-K496 VanDerWaalsContact O-N 3.17Å
497E91.1Very high92Very high94 Ų9426.6 Ų26.644%0.43914%0.136SC..  trans-99.5129.1-178.6-55.6-168.8120.200111.1W368 R370 H430W368-E497 VanDerWaalsContact O-CA 3.28Å; W368-E497 WeakPolarHBondContact O-CA 3.28Å; R370-E497 HydrophobicContact CB-CG 3.72Å; R370-E497 WeakPolarHBondContact CB-OE1 3.34Å; R370-E497 PolarHBondContact N-OE1 3.31Å; H430-E497 PolarHBondContact NE2-O 3.26Å
498A91.9Very high90.9Very high7 Ų728.8 Ų28.86%0.05815%0.146CC..EExtended strand (participates in β ladder)trans-165.3152.6168.600000109.9W368W368-A498 HydrophobicContact CE3-CB 3.96Å; W368-A498 HydrophobicContact CZ3-CB 4.28Å; W368-A498 PolarHBondContact N-O 3.1Å; W368-A498 PolarHBondContact O-N 3.07Å
499D92.6Very high89.5Confident54 Ų5435.5 Ų35.529%0.28918%0.177SC..EExtended strand (participates in β ladder)trans-86.5150.1165.9-56.4-13.7000108.1T367 R369 K417T367-D499 VanDerWaalsContact CG2-OD1 3.3Å; T367-D499 WeakPolarHBondContact CG2-OD1 3.13Å; T367-D499 PolarHBondContact OG1-OD1 3.31Å; R369-D499 IonicContact CZ-OD1 2.98Å; R369-D499 IonicContact NH1-OD1 3.75Å; R369-D499 PolarHBondContact NH1-OD1 3.17Å; R369-D499 IonicContact NH2-OD1 2.84Å; R369-D499 PolarHBondContact NH2-OD1 3.32Å; R369-D499 IonicContact NH2-OD2 3.89Å; K417-D499 HydrophobicContact CB-CB 4.15Å; K417-D499 HydrophobicContact CD-CB 3.94Å; K417-D499 HydrophobicContact CG-CB 4.24Å; K417-D499 PolarHBondContact N-O 3.2Å
500F94.5Very high88Confident1 Ų135.9 Ų35.90%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-140.9162.1-179.968.5-96.8000112.5G366 T367 W368 P388 Y390 L414 M415 P489 L502G366-F500 VanDerWaalsContact C-CD1 3.49Å; G366-F500 VanDerWaalsContact C-CE1 3.42Å; G366-F500 VanDerWaalsContact CA-CZ 3.47Å; G366-F500 PolarHBondContact N-O 3.23Å; G366-F500 PolarHBondContact O-N 3.08Å; T367-F500 VanDerWaalsContact N-CE1 3.26Å; W368-F500 AromaticContact CD2-CD1 3.6Å; W368-F500 HydrophobicContact CD2-CD1 3.6Å; W368-F500 AromaticContact CD2-CE1 3.88Å; W368-F500 HydrophobicContact CD2-CE1 3.88Å; W368-F500 AromaticContact CE2-CD1 3.48Å; W368-F500 VanDerWaalsContact CE2-CD1 3.48Å; W368-F500 AromaticContact CE2-CE1 3.5Å; W368-F500 HydrophobicContact CE3-CB 4.49Å; W368-F500 AromaticContact CE3-CD1 3.73Å; W368-F500 HydrophobicContact CE3-CD1 3.73Å; W368-F500 HydrophobicContact CE3-CE1 4.46Å; W368-F500 HydrophobicContact CG-CD1 4.31Å; W368-F500 HydrophobicContact CG-CE1 4.23Å; W368-F500 HydrophobicContact CH2-CB 3.82Å; W368-F500 AromaticContact CH2-CD1 3.7Å; W368-F500 HydrophobicContact CH2-CD1 3.7Å; W368-F500 HydrophobicContact CH2-CE1 4.44Å; W368-F500 AromaticContact CH2-CG 3.87Å; W368-F500 HydrophobicContact CH2-CG 3.87Å; W368-F500 HydrophobicContact CZ2-CB 4.45Å; W368-F500 AromaticContact CZ2-CD1 3.55Å; W368-F500 HydrophobicContact CZ2-CD1 3.55Å; W368-F500 AromaticContact CZ2-CE1 3.83Å; W368-F500 HydrophobicContact CZ2-CE1 3.83Å; W368-F500 AromaticContact CZ2-CG 4Å; W368-F500 HydrophobicContact CZ2-CG 4Å; W368-F500 HydrophobicContact CZ3-CB 3.84Å; W368-F500 AromaticContact CZ3-CD1 3.79Å; W368-F500 HydrophobicContact CZ3-CD1 3.79Å; W368-F500 HydrophobicContact CZ3-CG 4.14Å; W368-F500 AromaticContact NE1-CE1 3.6Å; P388-F500 HydrophobicContact CB-CZ 4.08Å; P388-F500 HydrophobicContact CG-CE1 4.09Å; P388-F500 HydrophobicContact CG-CZ 3.95Å; Y390-F500 AromaticContact CE2-CE2 3.95Å; Y390-F500 HydrophobicContact CE2-CE2 3.95Å; Y390-F500 HydrophobicContact CE2-CZ 4.04Å; L414-F500 HydrophobicContact CD1-CB 4.06Å; L414-F500 HydrophobicContact CD1-CD2 3.53Å; L414-F500 HydrophobicContact CD1-CE2 4.18Å; L414-F500 HydrophobicContact CD1-CG 3.96Å; M415-F500 CarbonylContact O-C 3.28Å; M415-F500 WeakPolarHBondContact O-CA 3.41Å; M415-F500 VanDerWaalsContact O-CB 3.23Å; M415-F500 WeakPolarHBondContact O-CB 3.34Å; P489-F500 HydrophobicContact CB-CE2 4.19Å; P489-F500 HydrophobicContact CB-CZ 4.34Å; P489-F500 HydrophobicContact CG-CE2 3.64Å; P489-F500 HydrophobicContact CG-CZ 3.62Å; F500-L502 HydrophobicContact CD2-CB 4.43Å; F500-L502 HydrophobicContact CE2-CB 4.29Å
501V93.6Very high86.5Confident0 Ų041.2 Ų41.20%021%0.205CC..EExtended strand (participates in β ladder)trans-121123.9169.3-172.30000107.5F149 F364 Y365 M415 K417 R503F149-V501 HydrophobicContact CB-CG2 3.86Å; F149-V501 WeakPolarHBondContact O-CG2 3.26Å; F364-V501 CarbonylContact O-C 3.58Å; F364-V501 VanDerWaalsContact O-CA 3.31Å; F364-V501 WeakPolarHBondContact O-CA 3.34Å; Y365-V501 HydrophobicContact CD1-CG2 3.96Å; Y365-V501 HydrophobicContact CE1-CG1 4.41Å; Y365-V501 HydrophobicContact CE1-CG2 4.07Å; M415-V501 PolarHBondContact N-O 2.73Å; M415-V501 PolarHBondContact O-N 2.98Å; K417-V501 HydrophobicContact CD-CG2 3.97Å; K417-V501 HydrophobicContact CG-CG2 4.22Å; V501-R503 HydrophobicContact CG1-CG 3.88Å
502L93.8Very high84.8Confident0 Ų041.8 Ų41.80%021%0.208CC..EExtended strand (participates in β ladder)trans-101.4125.4170.4179.570000108F364 Y390 V412 L414 I487 F500F364-L502 HydrophobicContact CB-CB 4.29Å; F364-L502 HydrophobicContact CD2-CD2 4.5Å; F364-L502 PolarHBondContact N-O 2.8Å; F364-L502 PolarHBondContact O-N 3.17Å; Y390-L502 HydrophobicContact CD1-CD2 4.44Å; Y390-L502 HydrophobicContact CD2-CD2 3.36Å; Y390-L502 HydrophobicContact CE2-CD2 3.96Å; Y390-L502 HydrophobicContact CG-CD2 3.64Å; V412-L502 HydrophobicContact CG1-CD1 3.64Å; L414-L502 HydrophobicContact CB-CD1 4.27Å; L414-L502 HydrophobicContact CD1-CD1 4.35Å; I487-L502 HydrophobicContact CB-CD2 4.39Å; I487-L502 HydrophobicContact CG2-CD1 4.32Å; I487-L502 HydrophobicContact CG2-CD2 4.03Å; F500-L502 HydrophobicContact CD2-CB 4.43Å; F500-L502 HydrophobicContact CE2-CB 4.29Å
503R91.4Very high83.5Confident1 Ų141.4 Ų41.40%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-118.5130.6177.7-54.6-177.3-72.7164.21.6108.8G212 G213 M362 K363 A413 E473 V501 F505G212-R503 PolarHBondContact O-NH1 3.4Å; G213-R503 PolarHBondContact O-NH1 3.45Å; G213-R503 PolarHBondContact O-NH2 3.11Å; M362-R503 CarbonylContact O-C 3.44Å; M362-R503 VanDerWaalsContact O-CA 3.26Å; M362-R503 WeakPolarHBondContact O-CA 3.31Å; K363-R503 HydrophobicContact CG-CG 4.31Å; A413-R503 HydrophobicContact CB-CB 4.26Å; A413-R503 PolarHBondContact N-O 3.16Å; A413-R503 PolarHBondContact O-N 3.22Å; E473-R503 IonicContact OE1-NH2 2.65Å; E473-R503 PolarHBondContact OE1-NH2 3.1Å; E473-R503 IonicContact OE2-CZ 3.21Å; E473-R503 IonicContact OE2-NE 3.3Å; E473-R503 PolarHBondContact OE2-NE 3.22Å; E473-R503 IonicContact OE2-NH2 2.63Å; E473-R503 PolarHBondContact OE2-NH2 2.85Å; V501-R503 HydrophobicContact CG1-CG 3.88Å; R503-F505 HydrophobicContact CB-CE2 3.58Å; R503-F505 HydrophobicContact CB-CZ 3.84Å
504V89.3Confident82.6Confident1 Ų141.2 Ų41.21%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-119.1125.6175.7-175.80000107.6M362 I392 F410 L411 I487 T506M362-V504 HydrophobicContact CB-CB 4.48Å; M362-V504 PolarHBondContact N-O 3.49Å; M362-V504 PolarHBondContact O-N 2.76Å; I392-V504 HydrophobicContact CG2-CG1 4.07Å; I392-V504 HydrophobicContact CG2-CG2 4.13Å; F410-V504 HydrophobicContact CD2-CG1 4.3Å; L411-V504 WeakPolarHBondContact O-CA 3.17Å; I487-V504 HydrophobicContact CD1-CG2 3.73Å; V504-T506 HydrophobicContact CG1-CG2 4.18Å
505F84.8Confident81.6Confident2 Ų239.1 Ų39.11%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-113.5124.5176.9-52.9-94.5000108.6V214 T347 W359 N360 T361 F410 L411 A413 R503V214-F505 HydrophobicContact CB-CD2 4.17Å; V214-F505 HydrophobicContact CB-CE1 4.21Å; V214-F505 HydrophobicContact CB-CE2 3.54Å; V214-F505 HydrophobicContact CB-CZ 3.57Å; V214-F505 HydrophobicContact CG1-CD1 4.35Å; V214-F505 HydrophobicContact CG1-CD2 4.17Å; V214-F505 HydrophobicContact CG1-CE1 4.2Å; V214-F505 HydrophobicContact CG1-CE2 4.01Å; V214-F505 HydrophobicContact CG1-CG 4.35Å; V214-F505 HydrophobicContact CG1-CZ 4.03Å; V214-F505 HydrophobicContact CG2-CD2 3.96Å; V214-F505 HydrophobicContact CG2-CE2 3.42Å; V214-F505 VanDerWaalsContact CG2-CE2 3.42Å; V214-F505 HydrophobicContact CG2-CZ 3.99Å; T347-F505 HydrophobicContact CG2-CD1 4.25Å; T347-F505 HydrophobicContact CG2-CE1 3.5Å; T347-F505 HydrophobicContact CG2-CZ 4.37Å; W359-F505 HydrophobicContact CB-CB 4.25Å; W359-F505 HydrophobicContact CB-CD1 4.3Å; W359-F505 HydrophobicContact CD2-CB 4.1Å; W359-F505 HydrophobicContact CE3-CB 3.55Å; W359-F505 HydrophobicContact CG-CB 4.4Å; W359-F505 HydrophobicContact CZ3-CB 4.31Å; W359-F505 WeakPolarHBondContact CZ3-O 3.35Å; N360-F505 CarbonylContact O-C 3.43Å; N360-F505 VanDerWaalsContact O-CA 3.23Å; N360-F505 WeakPolarHBondContact O-CA 3.47Å; T361-F505 HydrophobicContact CG2-CD1 3.85Å; T361-F505 HydrophobicContact CG2-CE1 3.38Å; T361-F505 HydrophobicContact CG2-CZ 4.03Å; T361-F505 VanDerWaalsContact OG1-CD1 3.23Å; T361-F505 WeakPolarHBondContact OG1-CD1 3.4Å; T361-F505 WeakPolarHBondContact OG1-CE1 3.32Å; F410-F505 CarbonylContact C-O 3.56Å; F410-F505 WeakPolarHBondContact CA-O 3.38Å; F410-F505 VanDerWaalsContact CB-O 3.28Å; F410-F505 WeakPolarHBondContact CB-O 3.36Å; L411-F505 HydrophobicContact CB-CB 4.13Å; L411-F505 HydrophobicContact CB-CD2 4.24Å; L411-F505 HydrophobicContact CD2-CD2 4.1Å; L411-F505 HydrophobicContact CG-CD2 4.27Å; L411-F505 PolarHBondContact N-O 3.21Å; L411-F505 PolarHBondContact O-N 3.05Å; A413-F505 HydrophobicContact CB-CE2 4.19Å; R503-F505 HydrophobicContact CB-CE2 3.58Å; R503-F505 HydrophobicContact CB-CZ 3.84Å
506T80.3Confident80.9Confident4 Ų438.8 Ų38.83%0.02519%0.185CC..EExtended strand (participates in β ladder)trans-119.8144.8176.461.80000110.4W359 N360 L394 F410 V504 K508 S510W359-T506 CarbonylContact C-O 3.57Å; W359-T506 WeakPolarHBondContact CA-O 3.44Å; W359-T506 VanDerWaalsContact CE3-C 3.45Å; N360-T506 PolarHBondContact N-O 3.49Å; N360-T506 PolarHBondContact O-N 2.91Å; L394-T506 HydrophobicContact CD2-CG2 4.25Å; F410-T506 HydrophobicContact CB-CG2 3.89Å; V504-T506 HydrophobicContact CG1-CG2 4.18Å; T506-K508 WeakPolarHBondContact CB-O 3.15Å; T506-K508 PolarHBondContact OG1-O 3.27Å; T506-S510 WeakPolarHBondContact CG2-OG 3.26Å; T506-S510 PolarHBondContact OG1-OG 2.87Å; T506-S510 VanDerWaalsContact OG1-OG 3.08Å
507E70.8Confident80.2Confident68 Ų6835 Ų3532%0.31817%0.169SC..SBendtrans-73.7-35.2176.1177.9156.3-159.400111.8S357 W359 S409S357-E507 PolarHBondContact OG-OE1 3.45Å; W359-E507 HydrophobicContact CH2-CB 4.42Å; W359-E507 HydrophobicContact CZ3-CB 4.29Å; S409-E507 PolarHBondContact O-N 3.42Å
508K72.1Confident79.8Confident46 Ų4636.2 Ų36.220%0.217%0.174CC..SBendtrans-105.6166.4176.3-62.1-63.7-173.1165.30111.8E396 D399 T506 S510E396-K508 HydrophobicContact CB-CB 3.96Å; E396-K508 HydrophobicContact CB-CG 4.04Å; D399-K508 IonicContact OD1-NZ 2.75Å; D399-K508 PolarHBondContact OD1-NZ 3.43Å; D399-K508 IonicContact OD2-NZ 3.09Å; D399-K508 PolarHBondContact OD2-NZ 3.3Å; T506-K508 WeakPolarHBondContact CB-O 3.15Å; T506-K508 PolarHBondContact OG1-O 3.27Å; K508-S510 PolarHBondContact O-N 3.39Å
509Q69.3Low79.7Confident140 Ų14039.8 Ų39.865%0.65419%0.192SC*.  trans-60.1132.2175.5-169.3173-1.300109.9
510S64.8Low79.4Confident8 Ų839.6 Ų39.66%0.05620%0.195CC..EExtended strand (participates in β ladder)trans-136.1148.717962.40000109.4T393 T506 K508T393-S510 WeakPolarHBondContact O-CA 3.32Å; T393-S510 VanDerWaalsContact O-CB 3.26Å; T393-S510 WeakPolarHBondContact O-CB 3.4Å; T506-S510 WeakPolarHBondContact CG2-OG 3.26Å; T506-S510 PolarHBondContact OG1-OG 2.87Å; T506-S510 VanDerWaalsContact OG1-OG 3.08Å; K508-S510 PolarHBondContact O-N 3.39Å
511E67.8Low79.2Confident113 Ų11340.5 Ų40.553%0.52820%0.203SC..EExtended strand (participates in β ladder)trans-100.4130.1167.9-65.2178.8177.400107.9T393T393-E511 WeakPolarHBondContact CA-O 2.98Å; T393-E511 VanDerWaalsContact CB-O 3.23Å; T393-E511 WeakPolarHBondContact CB-O 3.24Å; T393-E511 PolarHBondContact N-O 3.32Å; T393-E511 PolarHBondContact O-N 2.91Å; T393-E511 PolarHBondContact OG1-O 3.42Å
512T59.9Low78.8Confident13 Ų1346.1 Ų46.18%0.0823%0.232CC..EExtended strand (participates in β ladder)trans-140.4135.5177.4-53.50000108.8M362 F364 K391 I392M362-T512 VanDerWaalsContact CE-N 3.34Å; M362-T512 WeakPolarHBondContact CE-O 3.45Å; M362-T512 WeakPolarHBondContact SD-CB 3.37Å; M362-T512 HydrophobicContact SD-CG2 4.43Å; M362-T512 PolarHBondContact SD-OG1 2.76Å; F364-T512 HydrophobicContact CE2-CG2 3.46Å; F364-T512 VanDerWaalsContact CE2-CG2 3.46Å; F364-T512 HydrophobicContact CZ-CG2 3.35Å; K391-T512 CarbonylContact O-C 3.55Å; K391-T512 WeakPolarHBondContact O-CA 3.36Å; K391-T512 WeakPolarHBondContact O-CG2 3.36Å; I392-T512 HydrophobicContact CB-CG2 4.22Å; I392-T512 HydrophobicContact CG2-CG2 3.42Å; I392-T512 VanDerWaalsContact CG2-CG2 3.42Å
513E70.6Confident78Confident64 Ų6448.2 Ų48.230%0.29924%0.242SC..EExtended strand (participates in β ladder)trans-137148.9-173.8-63.8172.8158.800109.4K391 Q447 L515K391-E513 WeakPolarHBondContact CE-OE2 3.44Å; K391-E513 PolarHBondContact N-O 3.26Å; K391-E513 IonicContact NZ-OE2 3.32Å; K391-E513 PolarHBondContact NZ-OE2 3.04Å; K391-E513 PolarHBondContact O-N 2.78Å; Q447-E513 WeakPolarHBondContact CG-OE2 2.98Å; Q447-E513 PolarHBondContact NE2-OE1 3.4Å; Q447-E513 PolarHBondContact NE2-OE2 2.94Å; E513-L515 PolarHBondContact O-N 2.86Å
514E76.3Confident77Confident84 Ų8450.1 Ų50.139%0.39326%0.262SS..EExtended strand (participates in β ladder)trans-70123.9166.9-177.3169.7-161.600108.5F364 Y390 D516F364-E514 HydrophobicContact CD1-CB 4.39Å; Y390-E514 HydrophobicContact CD1-CB 3.99Å; Y390-E514 HydrophobicContact CD1-CG 3.99Å; Y390-E514 HydrophobicContact CE1-CB 4.02Å; Y390-E514 HydrophobicContact CE1-CG 3.68Å; E514-D516 HydrophobicContact CG-CB 4.45Å; E514-D516 PolarHBondContact O-N 3.07Å
515L73.6Confident75.6Confident6 Ų658 Ų583%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-87.4103.4173.9-91.4174.4000108.6Q389 K391 I439 L486 E513Q389-L515 HydrophobicContact CB-CB 4.22Å; Q389-L515 PolarHBondContact O-N 3.33Å; K391-L515 HydrophobicContact CB-CD1 3.54Å; K391-L515 HydrophobicContact CB-CG 3.63Å; K391-L515 HydrophobicContact CD-CD1 4.4Å; K391-L515 HydrophobicContact CG-CD1 4.32Å; I439-L515 HydrophobicContact CD1-CD1 4.16Å; L486-L515 HydrophobicContact CD1-CB 4.39Å; L486-L515 HydrophobicContact CD1-CD1 3.34Å; L486-L515 HydrophobicContact CD1-CG 4.48Å; E513-L515 PolarHBondContact O-N 2.86Å
516D77.9Confident74.6Confident18 Ų1863 Ų6310%0.09633%0.328CS..  trans-141.2165.8176-148.9-16.5000110N448 V449 E514 R632 N643 N644N448-D516 CarbonylContact C-O 3.57Å; N448-D516 VanDerWaalsContact CA-O 3.24Å; N448-D516 WeakPolarHBondContact CA-O 3.43Å; V449-D516 PolarHBondContact N-O 3.28Å; E514-D516 HydrophobicContact CG-CB 4.45Å; E514-D516 PolarHBondContact O-N 3.07Å; D516-R632 IonicContact OD1-NH2 2.98Å; D516-N643 HydrophobicContact CB-CB 4.41Å; D516-N643 WeakPolarHBondContact OD1-CA 3.28Å; D516-N643 WeakPolarHBondContact OD2-CA 3.46Å; D516-N643 WeakPolarHBondContact OD2-CB 3.43Å; D516-N644 VanDerWaalsContact CG-N 3.3Å; D516-N644 PolarHBondContact OD1-N 2.99Å; D516-N644 VanDerWaalsContact OD1-N 3.11Å; D516-N644 PolarHBondContact OD1-ND2 2.85Å; D516-N644 VanDerWaalsContact OD2-CB 3.23Å; D516-N644 WeakPolarHBondContact OD2-CB 3.31Å; D516-N644 VanDerWaalsContact OD2-CG 3.27Å; D516-N644 PolarHBondContact OD2-N 2.91Å; D516-N644 PolarHBondContact OD2-ND2 2.98Å
517D78.1Confident73.6Confident11 Ų1170.4 Ų70.46%0.05936%0.362CS..  trans-75.1129.6177.6-64.7-39.3000109.8H450 K452 K641 N643H450-D517 PolarHBondContact N-OD1 3.49Å; K452-D517 IonicContact NZ-OD2 3.24Å; K452-D517 PolarHBondContact NZ-OD2 2.86Å; D517-K641 HydrophobicContact CB-CB 4.39Å; D517-N643 PolarHBondContact O-N 2.72Å
518E83.4Confident73.4Confident119 Ų11975.9 Ų75.956%0.55639%0.387SS*.  trans-65.3134.5174.2-179.1177.7-171.600110.5N448 S520 K641N448-E518 HydrophobicContact CB-CB 3.81Å; N448-E518 PolarHBondContact ND2-OE2 3.45Å; E518-S520 PolarHBondContact O-N 3.05Å; E518-S520 PolarHBondContact O-OG 3.31Å; E518-K641 WeakPolarHBondContact O-CB 3.44Å
519I88.1Confident73.7Confident83 Ų8375.1 Ų75.143%0.42639%0.385SS..  trans-66.2108.1-177.8-58.3170.6000108.8K641 L642 N643 L646 F676I519-K641 WeakPolarHBondContact CA-O 3.22Å; I519-L642 HydrophobicContact CG2-CD2 4.46Å; I519-N643 HydrophobicContact CG1-CB 4.46Å; I519-L646 HydrophobicContact CD1-CD1 3.66Å; I519-L646 HydrophobicContact CG1-CD1 3.92Å; I519-L646 HydrophobicContact CG2-CD1 4.24Å; I519-F676 HydrophobicContact CG2-CE1 3.89Å; I519-F676 HydrophobicContact CG2-CZ 3.58Å
520S88.1Confident74.3Confident49 Ų4971.7 Ų71.734%0.34337%0.374SS..EExtended strand (participates in β ladder)trans-149.1154.2179.354.50000111E518 K641E518-S520 PolarHBondContact O-N 3.05Å; E518-S520 PolarHBondContact O-OG 3.31Å; S520-K641 PolarHBondContact N-O 3.35Å; S520-K641 PolarHBondContact O-N 2.75Å
521A88.9Confident75Confident21 Ų2176.9 Ų76.917%0.17440%0.397CS..EExtended strand (participates in β ladder)trans-133.3124.3175.700000109.3F523 G639 F640 F676A521-F523 HydrophobicContact CB-CE1 3.94Å; A521-F523 HydrophobicContact CB-CE2 4Å; A521-F523 HydrophobicContact CB-CZ 3.53Å; A521-G639 CarbonylContact C-O 3.57Å; A521-G639 WeakPolarHBondContact CA-O 3.46Å; A521-F640 HydrophobicContact CB-CD1 3.67Å; A521-F640 HydrophobicContact CB-CE1 3.93Å; A521-F676 HydrophobicContact CB-CB 4.31Å; A521-F676 HydrophobicContact CB-CD1 3.65Å; A521-F676 HydrophobicContact CB-CD2 3.9Å; A521-F676 HydrophobicContact CB-CE1 3.8Å; A521-F676 HydrophobicContact CB-CE2 4.05Å; A521-F676 HydrophobicContact CB-CG 3.71Å; A521-F676 HydrophobicContact CB-CZ 3.99Å
522D85.4Confident75.7Confident117 Ų11778.5 Ų78.563%0.62641%0.41SS*.  trans-109.2108.4171-1797.2000108.7G524 G639D522-G524 VanDerWaalsContact C-N 3.28Å; D522-G524 PolarHBondContact OD1-N 2.98Å; D522-G639 PolarHBondContact N-O 2.93Å; D522-G639 WeakPolarHBondContact O-CA 3.18Å
523F77.1Confident76.7Confident44 Ų4482.8 Ų82.819%0.19343%0.432CS..  trans-85-3.7180-57.1-61.3000112.9A521 F640 E673 F676 R677A521-F523 HydrophobicContact CB-CE1 3.94Å; A521-F523 HydrophobicContact CB-CE2 4Å; A521-F523 HydrophobicContact CB-CZ 3.53Å; F523-F640 HydrophobicContact CD1-CZ 4.47Å; F523-F640 AromaticContact CE1-CE1 3.57Å; F523-F640 HydrophobicContact CE1-CE1 3.57Å; F523-F640 AromaticContact CE1-CZ 3.79Å; F523-F640 HydrophobicContact CE1-CZ 3.79Å; F523-F640 HydrophobicContact CZ-CE1 4.19Å; F523-E673 HydrophobicContact CD1-CG 4.13Å; F523-E673 HydrophobicContact CE1-CB 4.18Å; F523-E673 HydrophobicContact CE1-CG 3.67Å; F523-E673 HydrophobicContact CZ-CG 4.3Å; F523-F676 HydrophobicContact CE2-CB 4.36Å; F523-F676 HydrophobicContact CZ-CB 3.69Å; F523-F676 HydrophobicContact CZ-CG 4.38Å; F523-R677 HydrophobicContact CE2-CG 4.26Å; F523-R677 HydrophobicContact CZ-CG 4.38Å
524G70.1Confident77.4Confident42 Ų4279.9 Ų79.943%0.43342%0.419SS..  trans66.2-176-166.100000112.4D522 E526D522-G524 VanDerWaalsContact C-N 3.28Å; D522-G524 PolarHBondContact OD1-N 2.98Å; G524-E526 PolarHBondContact O-N 3.42Å
525D61.6Low77.8Confident167 Ų16781.4 Ų81.489%0.89343%0.429SS*.  trans-67.2114.5170.8-64.7-40.1000108.9E527D525-E527 PolarHBondContact O-N 3.18Å; D525-E527 VanDerWaalsContact O-N 3.11Å
526E62.5Low78.4Confident107 Ų10787.4 Ų87.450%0.546%0.461SS..  trans-67.5109.5169.7-67.3-160.3114.800108.7G524 E528 R677G524-E526 PolarHBondContact O-N 3.42Å; E526-E528 PolarHBondContact O-N 3.43Å; E526-E528 VanDerWaalsContact O-N 3.11Å; E526-R677 VanDerWaalsContact CD-NH2 3.29Å; E526-R677 IonicContact OE1-CZ 3.31Å; E526-R677 IonicContact OE1-NH1 2.63Å; E526-R677 PolarHBondContact OE1-NH1 3.42Å; E526-R677 IonicContact OE1-NH2 2.74Å; E526-R677 PolarHBondContact OE1-NH2 3.18Å; E526-R677 IonicContact OE2-CZ 3.34Å; E526-R677 IonicContact OE2-NH1 3.81Å; E526-R677 PolarHBondContact OE2-NH1 3.1Å; E526-R677 IonicContact OE2-NH2 3.1Å
527E58.7Low78.7Confident158 Ų15890.9 Ų90.974%0.73849%0.487SS*.  trans-61.4116.3167.8-69.9-178.8169.400108D525 I529D525-E527 PolarHBondContact O-N 3.18Å; D525-E527 VanDerWaalsContact O-N 3.11Å; E527-I529 HydrophobicContact CB-CG1 4.16Å; E527-I529 PolarHBondContact O-N 3.09Å
528E67.6Low79Confident184 Ų18491.3 Ų91.386%0.8649%0.489SS*.  trans-66.386.2166.2-79.3-169.715800108E526 T530E526-E528 PolarHBondContact O-N 3.43Å; E526-E528 VanDerWaalsContact O-N 3.11Å; E528-T530 PolarHBondContact O-N 3.46Å
529I78.1Confident79Confident29 Ų2988.3 Ų88.315%0.14947%0.474CS..  trans-74.2115.8176.5-60.3178.8000107.8E527 D533 I534 V599 Q602 I603E527-I529 HydrophobicContact CB-CG1 4.16Å; E527-I529 PolarHBondContact O-N 3.09Å; I529-D533 HydrophobicContact CG2-CB 4.31Å; I529-I534 HydrophobicContact CG2-CD1 4.21Å; I529-I534 HydrophobicContact CG2-CG1 3.84Å; I529-V599 WeakPolarHBondContact O-CG1 3.44Å; I529-Q602 HydrophobicContact CD1-CG 4.31Å; I529-Q602 HydrophobicContact CG2-CG 4.29Å; I529-I603 HydrophobicContact CB-CG1 4.48Å; I529-I603 HydrophobicContact CD1-CG1 3.98Å
530T81.5Confident78.9Confident69 Ų6987.5 Ų87.542%0.42348%0.475SS..  trans-94.4167167.969.70000110.1E528 D532 D533E528-T530 PolarHBondContact O-N 3.46Å; T530-D532 PolarHBondContact O-N 3.49Å; T530-D532 VanDerWaalsContact O-N 3.16Å; T530-D532 PolarHBondContact OG1-N 2.68Å; T530-D533 WeakPolarHBondContact CB-OD2 3.42Å; T530-D533 PolarHBondContact N-OD2 2.96Å; T530-D533 PolarHBondContact O-N 3.34Å; T530-D533 VanDerWaalsContact O-N 3.11Å; T530-D533 PolarHBondContact OG1-OD2 2.91Å
531E79.7Confident78.6Confident116 Ų11688.3 Ų88.354%0.54248%0.475SS..G310 helixtrans-58-28.2175.3-72.7-167.3167.900112.9D533 I534 K539 L598 V599E531-D533 VanDerWaalsContact C-N 3.28Å; E531-D533 PolarHBondContact O-N 2.77Å; E531-I534 PolarHBondContact O-N 3.4Å; E531-K539 WeakPolarHBondContact O-CE 3.21Å; E531-K539 PolarHBondContact O-NZ 3.29Å; E531-L598 HydrophobicContact CG-CD2 4.35Å; E531-V599 HydrophobicContact CG-CG2 3.72Å
532D82Confident78.5Confident148 Ų14887.4 Ų87.479%0.79147%0.467SS*.G310 helixtrans-71.8-24.3-179.5-70.6-27.3000112.5T530 I534T530-D532 PolarHBondContact O-N 3.49Å; T530-D532 VanDerWaalsContact O-N 3.16Å; T530-D532 PolarHBondContact OG1-N 2.68Å; D532-I534 VanDerWaalsContact C-N 3.26Å; D532-I534 PolarHBondContact O-N 2.89Å
533D82.4Confident78.5Confident102 Ų10283.8 Ų83.855%0.54545%0.453SS..G310 helixtrans-80.5-9.4177.5-55.2-56.5000112.5I529 T530 E531I529-D533 HydrophobicContact CG2-CB 4.31Å; T530-D533 WeakPolarHBondContact CB-OD2 3.42Å; T530-D533 PolarHBondContact N-OD2 2.96Å; T530-D533 PolarHBondContact O-N 3.34Å; T530-D533 VanDerWaalsContact O-N 3.11Å; T530-D533 PolarHBondContact OG1-OD2 2.91Å; E531-D533 VanDerWaalsContact C-N 3.28Å; E531-D533 PolarHBondContact O-N 2.77Å
534I84.1Confident78.8Confident4 Ų489.4 Ų89.42%0.02148%0.48CS..SBendtrans-91119.6-176.9-54.5179.7000110.1I529 E531 D532 D536 F538 K539 L598 V599 Q602I529-I534 HydrophobicContact CG2-CD1 4.21Å; I529-I534 HydrophobicContact CG2-CG1 3.84Å; E531-I534 PolarHBondContact O-N 3.4Å; D532-I534 VanDerWaalsContact C-N 3.26Å; D532-I534 PolarHBondContact O-N 2.89Å; I534-D536 PolarHBondContact O-N 2.91Å; I534-F538 HydrophobicContact CG2-CB 3.96Å; I534-F538 HydrophobicContact CG2-CD1 3.63Å; I534-F538 HydrophobicContact CG2-CG 4.16Å; I534-K539 HydrophobicContact CB-CG 4.42Å; I534-K539 HydrophobicContact CG2-CG 3.91Å; I534-K539 WeakPolarHBondContact O-CE 3.43Å; I534-K539 PolarHBondContact O-NZ 3.2Å; I534-L598 HydrophobicContact CD1-CD1 4.45Å; I534-L598 HydrophobicContact CD1-CD2 4.19Å; I534-L598 HydrophobicContact CD1-CG 3.83Å; I534-L598 HydrophobicContact CG2-CD1 4.43Å; I534-V599 HydrophobicContact CD1-CG2 4.08Å; I534-Q602 HydrophobicContact CD1-CB 3.97Å; I534-Q602 HydrophobicContact CD1-CG 4.17Å; I534-Q602 HydrophobicContact CG1-CB 4.46Å; I534-Q602 HydrophobicContact CG1-CG 4.12Å
535D85.1Confident79.4Confident116 Ų11689.7 Ų89.762%0.6247%0.471SS*.  trans-53.2137.5176.4-75.1-47.3000112.6S537 F538 K539D535-S537 PolarHBondContact O-N 2.84Å; D535-F538 WeakPolarHBondContact O-CA 3.4Å; D535-F538 WeakPolarHBondContact O-CB 3.3Å; D535-F538 PolarHBondContact O-N 2.79Å; D535-K539 PolarHBondContact O-N 2.82Å
536D85.9Confident80.4Confident131 Ų13181.8 Ų81.870%0.70143%0.429SS*.Hα-helixtrans-55.7-29.7177.2-72.2-30.3000112.9I534 F538 K539 S540I534-D536 PolarHBondContact O-N 2.91Å; D536-F538 VanDerWaalsContact C-N 3.35Å; D536-K539 PolarHBondContact O-N 3.2Å; D536-S540 WeakPolarHBondContact O-CB 3.23Å; D536-S540 PolarHBondContact O-N 3.23Å
537S84.8Confident81.4Confident92 Ų9278.5 Ų78.564%0.64342%0.424SS*.Hα-helixtrans-65.6-38.117572.40000112.3D535 M541D535-S537 PolarHBondContact O-N 2.84Å; S537-M541 PolarHBondContact O-N 3.3Å; S537-M541 VanDerWaalsContact O-N 3.1Å
538F83.8Confident82.5Confident19 Ų1980.8 Ų80.88%0.08344%0.435CS..Hα-helixtrans-73.8-41.1176-168.5-88.6000110.9I534 D535 D536 S540 M541 F542 L598 F601 Q602 W605I534-F538 HydrophobicContact CG2-CB 3.96Å; I534-F538 HydrophobicContact CG2-CD1 3.63Å; I534-F538 HydrophobicContact CG2-CG 4.16Å; D535-F538 WeakPolarHBondContact O-CA 3.4Å; D535-F538 WeakPolarHBondContact O-CB 3.3Å; D535-F538 PolarHBondContact O-N 2.79Å; D536-F538 VanDerWaalsContact C-N 3.35Å; F538-S540 VanDerWaalsContact C-N 3.32Å; F538-S540 PolarHBondContact O-N 3.34Å; F538-M541 HydrophobicContact CD2-CE 3.43Å; F538-M541 VanDerWaalsContact CD2-CE 3.43Å; F538-M541 HydrophobicContact CE2-CE 3.31Å; F538-M541 HydrophobicContact CG-CE 4.23Å; F538-M541 HydrophobicContact CZ-CE 4.03Å; F538-M541 PolarHBondContact O-N 3.46Å; F538-F542 WeakPolarHBondContact O-CB 3.46Å; F538-F542 PolarHBondContact O-N 2.82Å; F538-L598 HydrophobicContact CD1-CD1 4.2Å; F538-L598 HydrophobicContact CE1-CD1 4.33Å; F538-F601 AromaticContact CE1-CD1 3.79Å; F538-F601 HydrophobicContact CE1-CD1 3.79Å; F538-F601 HydrophobicContact CE1-CE1 4.22Å; F538-F601 HydrophobicContact CE2-CE1 4.33Å; F538-F601 AromaticContact CZ-CD1 3.49Å; F538-F601 HydrophobicContact CZ-CD1 3.49Å; F538-F601 VanDerWaalsContact CZ-CD1 3.49Å; F538-F601 AromaticContact CZ-CE1 3.56Å; F538-F601 HydrophobicContact CZ-CE1 3.56Å; F538-Q602 HydrophobicContact CD1-CB 4.41Å; F538-Q602 VanDerWaalsContact CD1-OE1 3.3Å; F538-Q602 VanDerWaalsContact CD2-OE1 3.27Å; F538-Q602 HydrophobicContact CE1-CB 3.78Å; F538-Q602 HydrophobicContact CE1-CG 4.42Å; F538-Q602 HydrophobicContact CZ-CB 4.21Å; F538-W605 HydrophobicContact CE2-CB 4.34Å; F538-W605 AromaticContact CE2-CD1 3.67Å; F538-W605 AromaticContact CE2-CG 3.97Å; F538-W605 HydrophobicContact CE2-CG 3.97Å; F538-W605 HydrophobicContact CZ-CB 4.2Å; F538-W605 HydrophobicContact CZ-CG 4.29Å
539K84.8Confident83.3Confident56 Ų5675.6 Ų75.624%0.24341%0.413CS..Hα-helixtrans-56.8-44.9173.6-65.5-177.3175.8163.30112.1E531 I534 D535 D536 F542 A543 L598E531-K539 WeakPolarHBondContact O-CE 3.21Å; E531-K539 PolarHBondContact O-NZ 3.29Å; I534-K539 HydrophobicContact CB-CG 4.42Å; I534-K539 HydrophobicContact CG2-CG 3.91Å; I534-K539 WeakPolarHBondContact O-CE 3.43Å; I534-K539 PolarHBondContact O-NZ 3.2Å; D535-K539 PolarHBondContact O-N 2.82Å; D536-K539 PolarHBondContact O-N 3.2Å; K539-F542 PolarHBondContact O-N 3.23Å; K539-A543 WeakPolarHBondContact O-CB 3.39Å; K539-A543 PolarHBondContact O-N 3.03Å; K539-L598 HydrophobicContact CD-CD2 4.48Å; K539-L598 HydrophobicContact CG-CD1 4.41Å; K539-L598 HydrophobicContact CG-CD2 4Å
540S84.6Confident83.8Confident66 Ų6678.8 Ų78.846%0.46243%0.429SS..Hα-helixtrans-64.2-42.5176.7-177.40000112.2D536 F538 Q544D536-S540 WeakPolarHBondContact O-CB 3.23Å; D536-S540 PolarHBondContact O-N 3.23Å; F538-S540 VanDerWaalsContact C-N 3.32Å; F538-S540 PolarHBondContact O-N 3.34Å; S540-Q544 WeakPolarHBondContact O-CG 3.41Å; S540-Q544 PolarHBondContact O-N 3.21Å; S540-Q544 VanDerWaalsContact O-N 3.12Å
541M82.7Confident84.1Confident67 Ų6778.2 Ų78.233%0.3342%0.421SS..Hα-helixtrans-63.2-45.5174.7-177-173.768.300111.5S537 F538 Q544 L545S537-M541 PolarHBondContact O-N 3.3Å; S537-M541 VanDerWaalsContact O-N 3.1Å; F538-M541 HydrophobicContact CD2-CE 3.43Å; F538-M541 VanDerWaalsContact CD2-CE 3.43Å; F538-M541 HydrophobicContact CE2-CE 3.31Å; F538-M541 HydrophobicContact CG-CE 4.23Å; F538-M541 HydrophobicContact CZ-CE 4.03Å; F538-M541 PolarHBondContact O-N 3.46Å; M541-Q544 PolarHBondContact O-N 3.28Å; M541-L545 HydrophobicContact CG-CD1 3.88Å; M541-L545 WeakPolarHBondContact O-CG 3.47Å; M541-L545 PolarHBondContact O-N 3.2Å
542F86.3Confident84.6Confident2 Ų272.7 Ų72.71%0.00940%0.395CS..Hα-helixtrans-59.9-49.4177.2177.1-93.8000111.2F538 K539 Q544 L545 A546 M550 I552 L598 F601F538-F542 WeakPolarHBondContact O-CB 3.46Å; F538-F542 PolarHBondContact O-N 2.82Å; K539-F542 PolarHBondContact O-N 3.23Å; F542-Q544 VanDerWaalsContact C-N 3.27Å; F542-Q544 PolarHBondContact O-N 2.96Å; F542-L545 CarbonylContact O-C 3.56Å; F542-L545 WeakPolarHBondContact O-CA 3.43Å; F542-L545 PolarHBondContact O-N 2.86Å; F542-A546 HydrophobicContact CD1-CB 4.15Å; F542-A546 HydrophobicContact CE1-CB 3.77Å; F542-A546 HydrophobicContact CE2-CB 4.27Å; F542-A546 HydrophobicContact CZ-CB 3.83Å; F542-A546 VanDerWaalsContact O-CB 3.3Å; F542-A546 WeakPolarHBondContact O-CB 3.39Å; F542-A546 PolarHBondContact O-N 3.43Å; F542-M550 HydrophobicContact CD1-CE 4.31Å; F542-M550 HydrophobicContact CE1-CE 4.29Å; F542-M550 VanDerWaalsContact CE1-O 3.26Å; F542-M550 WeakPolarHBondContact CE1-O 3.44Å; F542-M550 VanDerWaalsContact CZ-O 3.28Å; F542-M550 WeakPolarHBondContact CZ-O 3.41Å; F542-I552 HydrophobicContact CD2-CD1 3.57Å; F542-I552 HydrophobicContact CD2-CG1 4.19Å; F542-I552 HydrophobicContact CE2-CD1 3.44Å; F542-I552 VanDerWaalsContact CE2-CD1 3.44Å; F542-I552 HydrophobicContact CE2-CG1 3.65Å; F542-I552 HydrophobicContact CZ-CD1 4.49Å; F542-I552 HydrophobicContact CZ-CG1 4.29Å; F542-L598 HydrophobicContact CB-CD1 3.6Å; F542-L598 HydrophobicContact CD1-CB 4.03Å; F542-L598 HydrophobicContact CD1-CD1 3.65Å; F542-L598 HydrophobicContact CD1-CG 4.41Å; F542-L598 HydrophobicContact CD2-CD1 4.1Å; F542-L598 HydrophobicContact CE1-CB 3.86Å; F542-L598 HydrophobicContact CE1-CD1 4.35Å; F542-L598 HydrophobicContact CG-CB 4.44Å; F542-L598 HydrophobicContact CG-CD1 3.5Å; F542-L598 VanDerWaalsContact CG-CD1 3.5Å; F542-L598 HydrophobicContact CZ-CB 4.12Å; F542-F601 HydrophobicContact CD2-CB 4.08Å; F542-F601 AromaticContact CD2-CD1 3.61Å; F542-F601 HydrophobicContact CD2-CD1 3.61Å; F542-F601 HydrophobicContact CD2-CE1 4.37Å; F542-F601 HydrophobicContact CD2-CG 4.06Å; F542-F601 HydrophobicContact CE2-CB 3.84Å; F542-F601 HydrophobicContact CE2-CD1 4.19Å; F542-F601 HydrophobicContact CE2-CG 4.17Å
543A85.1Confident85Confident41 Ų4167 Ų6734%0.33937%0.367SS..Hα-helixtrans-59.5-36178.800000112.9K539 L545 G547 M550K539-A543 WeakPolarHBondContact O-CB 3.39Å; K539-A543 PolarHBondContact O-N 3.03Å; A543-L545 VanDerWaalsContact C-N 3.28Å; A543-L545 PolarHBondContact O-N 3.49Å; A543-G547 PolarHBondContact O-N 2.94Å; A543-M550 HydrophobicContact CB-CE 4.23Å; A543-M550 HydrophobicContact CB-SD 4.08Å
544Q83Confident85.4Confident162 Ų16263.9 Ų63.976%0.75735%0.35SS*.Hα-helixtrans-68.3-26.8174.1-75.9-176.92.600113.6S540 M541 F542S540-Q544 WeakPolarHBondContact O-CG 3.41Å; S540-Q544 PolarHBondContact O-N 3.21Å; S540-Q544 VanDerWaalsContact O-N 3.12Å; M541-Q544 PolarHBondContact O-N 3.28Å; F542-Q544 VanDerWaalsContact C-N 3.27Å; F542-Q544 PolarHBondContact O-N 2.96Å
545L82.4Confident85.6Confident48 Ų4873.2 Ų73.225%0.25139%0.385SS..Hα-helixtrans-94.3-36.1-175.6-69.4175.9000112.9M541 F542 A543 I560M541-L545 HydrophobicContact CG-CD1 3.88Å; M541-L545 WeakPolarHBondContact O-CG 3.47Å; M541-L545 PolarHBondContact O-N 3.2Å; F542-L545 CarbonylContact O-C 3.56Å; F542-L545 WeakPolarHBondContact O-CA 3.43Å; F542-L545 PolarHBondContact O-N 2.86Å; A543-L545 VanDerWaalsContact C-N 3.28Å; A543-L545 PolarHBondContact O-N 3.49Å; L545-I560 HydrophobicContact CB-CD1 3.85Å; L545-I560 HydrophobicContact CB-CG1 4.38Å; L545-I560 HydrophobicContact CD1-CD1 3.95Å; L545-I560 HydrophobicContact CD1-CG1 4Å; L545-I560 HydrophobicContact CD1-CG2 4.03Å; L545-I560 HydrophobicContact CD2-CD1 4.29Å; L545-I560 HydrophobicContact CD2-CG1 3.87Å; L545-I560 HydrophobicContact CG-CD1 4.23Å; L545-I560 HydrophobicContact CG-CG1 4.29Å
546A83.4Confident85.8Confident0 Ų070.9 Ų70.90%037%0.37CS..Hα-helixtrans-81.2-23.2-178.400000112.9F542 I552F542-A546 HydrophobicContact CD1-CB 4.15Å; F542-A546 HydrophobicContact CE1-CB 3.77Å; F542-A546 HydrophobicContact CE2-CB 4.27Å; F542-A546 HydrophobicContact CZ-CB 3.83Å; F542-A546 VanDerWaalsContact O-CB 3.3Å; F542-A546 WeakPolarHBondContact O-CB 3.39Å; F542-A546 PolarHBondContact O-N 3.43Å; A546-I552 HydrophobicContact CB-CG1 3.9Å
547G83.8Confident86.1Confident39 Ų3964.6 Ų64.640%0.40234%0.337SS..G310 helixtrans75.8-150.3177.800000113.4A543A543-G547 PolarHBondContact O-N 2.94Å
548E81.2Confident86.4Confident205 Ų20565.1 Ų65.196%0.95832%0.324SS*.G310 helixtrans-76.7-26.6-170.9-68.4-174.1171.700114M550E548-M550 VanDerWaalsContact C-N 3.32Å
549D85.3Confident86.6Confident75 Ų7567.6 Ų67.640%0.40134%0.341SS..G310 helixtrans-84.2-6.1178.553.6-11.7000113.2E551 R595D549-E551 PolarHBondContact O-N 2.81Å; D549-E551 VanDerWaalsContact O-N 3.13Å; D549-R595 IonicContact OD2-CZ 3.56Å; D549-R595 IonicContact OD2-NH1 2.7Å; D549-R595 PolarHBondContact OD2-NH1 2.85Å; D549-R595 IonicContact OD2-NH2 3.69Å
550M87.3Confident86.8Confident97 Ų9765.6 Ų65.648%0.47833%0.333SS..THydrogen-bonded Turntrans55.127.5176.5-67.2-69.1-68.500113.7F542 A543 E548F542-M550 HydrophobicContact CD1-CE 4.31Å; F542-M550 HydrophobicContact CE1-CE 4.29Å; F542-M550 VanDerWaalsContact CE1-O 3.26Å; F542-M550 WeakPolarHBondContact CE1-O 3.44Å; F542-M550 VanDerWaalsContact CZ-O 3.28Å; F542-M550 WeakPolarHBondContact CZ-O 3.41Å; A543-M550 HydrophobicContact CB-CE 4.23Å; A543-M550 HydrophobicContact CB-SD 4.08Å; E548-M550 VanDerWaalsContact C-N 3.32Å
551E89.4Confident87Confident57 Ų5762.6 Ų62.627%0.26631%0.312SS..  trans-131.6144.3176.9-70.5175.9161.600109.4D549 R595 L596D549-E551 PolarHBondContact O-N 2.81Å; D549-E551 VanDerWaalsContact O-N 3.13Å; E551-R595 HydrophobicContact CB-CB 4.08Å; E551-R595 WeakPolarHBondContact OE2-CD 3.48Å; E551-R595 IonicContact OE2-CZ 2.76Å; E551-R595 IonicContact OE2-NE 3.74Å; E551-R595 IonicContact OE2-NH1 3.93Å; E551-R595 PolarHBondContact OE2-NH1 2.76Å; E551-L596 WeakPolarHBondContact CA-O 3.46Å
552I89.8Confident87.3Confident0 Ų061.2 Ų61.20%031%0.306CS..BIsolated β-bridgetrans-97.6117.8176.6-66.1175.9000109.4F542 A546 E556 L557 I560 L596 F601F542-I552 HydrophobicContact CD2-CD1 3.57Å; F542-I552 HydrophobicContact CD2-CG1 4.19Å; F542-I552 HydrophobicContact CE2-CD1 3.44Å; F542-I552 VanDerWaalsContact CE2-CD1 3.44Å; F542-I552 HydrophobicContact CE2-CG1 3.65Å; F542-I552 HydrophobicContact CZ-CD1 4.49Å; F542-I552 HydrophobicContact CZ-CG1 4.29Å; A546-I552 HydrophobicContact CB-CG1 3.9Å; I552-E556 HydrophobicContact CG2-CB 3.93Å; I552-L557 HydrophobicContact CG2-CB 3.87Å; I552-I560 HydrophobicContact CD1-CD1 4Å; I552-I560 HydrophobicContact CG2-CD1 4.1Å; I552-L596 HydrophobicContact CB-CB 4.32Å; I552-L596 PolarHBondContact N-O 2.88Å; I552-L596 PolarHBondContact O-N 2.75Å; I552-F601 HydrophobicContact CD1-CB 4.34Å; I552-F601 HydrophobicContact CD1-CD1 3.84Å; I552-F601 HydrophobicContact CD1-CD2 3.62Å; I552-F601 HydrophobicContact CD1-CE1 3.98Å; I552-F601 HydrophobicContact CD1-CE2 3.78Å; I552-F601 HydrophobicContact CD1-CG 3.64Å; I552-F601 HydrophobicContact CD1-CZ 3.96Å
553S90.3Very high87.3Confident28 Ų2869.1 Ų69.120%0.19634%0.335CS..  trans-76.8163.5171.473.80000112.4R555 E556 L557S553-R555 PolarHBondContact O-N 2.88Å; S553-R555 VanDerWaalsContact O-N 3.12Å; S553-E556 WeakPolarHBondContact CA-OE2 3.49Å; S553-E556 WeakPolarHBondContact CB-OE2 3.34Å; S553-E556 PolarHBondContact N-OE2 2.76Å; S553-E556 PolarHBondContact O-N 3.05Å; S553-E556 VanDerWaalsContact OG-CD 3.28Å; S553-E556 PolarHBondContact OG-N 3.2Å; S553-E556 PolarHBondContact OG-OE2 2.78Å; S553-L557 PolarHBondContact O-N 3.26Å
554I89.8Confident87.3Confident36 Ų3669.2 Ų69.219%0.18533%0.332CS..Hα-helixtrans-52.2-37.8176.2-60.3167.3000112.4R558 I578 C581 R582 V585I554-R558 PolarHBondContact O-N 3.28Å; I554-R558 VanDerWaalsContact O-N 3.1Å; I554-I578 HydrophobicContact CG2-CG2 4.14Å; I554-C581 HydrophobicContact CG2-CB 3.88Å; I554-R582 HydrophobicContact CD1-CB 4.13Å; I554-R582 HydrophobicContact CD1-CG 4.07Å; I554-R582 HydrophobicContact CG2-CB 4.36Å; I554-V585 HydrophobicContact CG1-CB 4.32Å; I554-V585 HydrophobicContact CG1-CG2 3.96Å
555R89.3Confident87.4Confident201 Ų20162.1 Ų62.176%0.75830%0.3SS*.Hα-helixtrans-73.8-37.6-178.7-68.1-177.3-179.5173.51.6112S553 T559S553-R555 PolarHBondContact O-N 2.88Å; S553-R555 VanDerWaalsContact O-N 3.12Å; R555-T559 PolarHBondContact O-N 3.24Å; R555-T559 VanDerWaalsContact O-N 3.15Å; R555-T559 PolarHBondContact O-OG1 2.87Å
556E90Very high87.5Confident66 Ų6663.6 Ų63.631%0.30832%0.319SS..Hα-helixtrans-67.5-47.2174.7-76147.5169.200110.1I552 S553 R558 T559 I560I552-E556 HydrophobicContact CG2-CB 3.93Å; S553-E556 WeakPolarHBondContact CA-OE2 3.49Å; S553-E556 WeakPolarHBondContact CB-OE2 3.34Å; S553-E556 PolarHBondContact N-OE2 2.76Å; S553-E556 PolarHBondContact O-N 3.05Å; S553-E556 VanDerWaalsContact OG-CD 3.28Å; S553-E556 PolarHBondContact OG-N 3.2Å; S553-E556 PolarHBondContact OG-OE2 2.78Å; E556-R558 VanDerWaalsContact C-N 3.31Å; E556-R558 PolarHBondContact O-N 3.43Å; E556-T559 WeakPolarHBondContact O-CA 3.49Å; E556-T559 WeakPolarHBondContact O-CB 3.5Å; E556-T559 PolarHBondContact O-N 3.1Å; E556-I560 HydrophobicContact CB-CD1 4.44Å; E556-I560 WeakPolarHBondContact O-CD1 3.44Å; E556-I560 WeakPolarHBondContact O-CG1 3.17Å; E556-I560 PolarHBondContact O-N 2.86Å
557L90.9Very high87.7Confident0 Ų073.5 Ų73.50%036%0.356CS..Hα-helixtrans-52.4-49.8175.8-176.961.6000111.3I552 S553 T559 I560 L561 C581 M584 V585 L596 F601 L604I552-L557 HydrophobicContact CG2-CB 3.87Å; S553-L557 PolarHBondContact O-N 3.26Å; L557-T559 VanDerWaalsContact C-N 3.32Å; L557-T559 PolarHBondContact O-N 2.97Å; L557-I560 PolarHBondContact O-N 2.95Å; L557-L561 HydrophobicContact CD1-CD1 3.88Å; L557-L561 HydrophobicContact CD1-CD2 4.49Å; L557-L561 HydrophobicContact CD1-CG 3.97Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.31Å; L557-L561 WeakPolarHBondContact O-CB 3.38Å; L557-L561 WeakPolarHBondContact O-CG 3.49Å; L557-L561 PolarHBondContact O-N 3.23Å; L557-C581 HydrophobicContact CD2-CB 4.08Å; L557-C581 HydrophobicContact CG-CB 4.39Å; L557-M584 HydrophobicContact CD2-CB 4.17Å; L557-M584 HydrophobicContact CD2-SD 4.5Å; L557-V585 HydrophobicContact CD2-CG2 3.81Å; L557-L596 HydrophobicContact CD1-CD1 4.34Å; L557-L596 HydrophobicContact CD2-CD1 4Å; L557-F601 HydrophobicContact CD1-CD2 4.21Å; L557-F601 HydrophobicContact CD1-CE2 3.76Å; L557-L604 HydrophobicContact CD1-CD2 4.15Å; L557-L604 HydrophobicContact CD2-CD2 4.06Å
558R92.3Very high87.7Confident102 Ų10274.1 Ų74.139%0.38535%0.349SS..Hα-helixtrans-56.7-45.4176-179.7176.4176.1-142.9-2.9112.5I554 E556 I560 N562 F576 C581I554-R558 PolarHBondContact O-N 3.28Å; I554-R558 VanDerWaalsContact O-N 3.1Å; E556-R558 VanDerWaalsContact C-N 3.31Å; E556-R558 PolarHBondContact O-N 3.43Å; R558-I560 VanDerWaalsContact C-N 3.33Å; R558-I560 PolarHBondContact O-N 2.89Å; R558-N562 WeakPolarHBondContact CG-ND2 3.27Å; R558-N562 VanDerWaalsContact O-CB 3.25Å; R558-N562 WeakPolarHBondContact O-CB 3.38Å; R558-N562 VanDerWaalsContact O-CG 3.24Å; R558-N562 PolarHBondContact O-N 2.88Å; R558-N562 PolarHBondContact O-ND2 3.33Å; R558-F576 WeakPolarHBondContact CG-O 3.45Å; R558-F576 PolarHBondContact NE-O 3.28Å; R558-C581 WeakPolarHBondContact CA-SG 3.44Å; R558-C581 HydrophobicContact CB-CB 4.45Å
559T88.1Confident87.7Confident71 Ų7174 Ų7444%0.43635%0.345SS..Hα-helixtrans-65-40.7-178.5-57.40000111.1R555 E556 L557 R563R555-T559 PolarHBondContact O-N 3.24Å; R555-T559 VanDerWaalsContact O-N 3.15Å; R555-T559 PolarHBondContact O-OG1 2.87Å; E556-T559 WeakPolarHBondContact O-CA 3.49Å; E556-T559 WeakPolarHBondContact O-CB 3.5Å; E556-T559 PolarHBondContact O-N 3.1Å; L557-T559 VanDerWaalsContact C-N 3.32Å; L557-T559 PolarHBondContact O-N 2.97Å; T559-R563 WeakPolarHBondContact O-CG 3.35Å; T559-R563 PolarHBondContact O-N 3.45Å; T559-R563 VanDerWaalsContact O-N 3.13Å
560I87.8Confident87.7Confident15 Ų1574 Ų748%0.07735%0.345CS..Hα-helixtrans-63.8-56178-65.5159.4000109.9L545 I552 E556 L557 R558 N562 R563 V564 F601L545-I560 HydrophobicContact CB-CD1 3.85Å; L545-I560 HydrophobicContact CB-CG1 4.38Å; L545-I560 HydrophobicContact CD1-CD1 3.95Å; L545-I560 HydrophobicContact CD1-CG1 4Å; L545-I560 HydrophobicContact CD1-CG2 4.03Å; L545-I560 HydrophobicContact CD2-CD1 4.29Å; L545-I560 HydrophobicContact CD2-CG1 3.87Å; L545-I560 HydrophobicContact CG-CD1 4.23Å; L545-I560 HydrophobicContact CG-CG1 4.29Å; I552-I560 HydrophobicContact CD1-CD1 4Å; I552-I560 HydrophobicContact CG2-CD1 4.1Å; E556-I560 HydrophobicContact CB-CD1 4.44Å; E556-I560 WeakPolarHBondContact O-CD1 3.44Å; E556-I560 WeakPolarHBondContact O-CG1 3.17Å; E556-I560 PolarHBondContact O-N 2.86Å; L557-I560 PolarHBondContact O-N 2.95Å; R558-I560 VanDerWaalsContact C-N 3.33Å; R558-I560 PolarHBondContact O-N 2.89Å; I560-N562 VanDerWaalsContact C-N 3.32Å; I560-N562 PolarHBondContact O-N 3.34Å; I560-R563 PolarHBondContact O-N 2.96Å; I560-V564 VanDerWaalsContact O-CG2 3.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.47Å; I560-V564 PolarHBondContact O-N 3.15Å; I560-F601 HydrophobicContact CG2-CZ 4.32Å
561L88.9Confident87.6Confident3 Ų370.1 Ų70.12%0.01633%0.326CS..Hα-helixtrans-61-40.8-177.3-65.5177.8000111.5L557 R563 V564 V565 F576 M584 W605 I608L557-L561 HydrophobicContact CD1-CD1 3.88Å; L557-L561 HydrophobicContact CD1-CD2 4.49Å; L557-L561 HydrophobicContact CD1-CG 3.97Å; L557-L561 HydrophobicContact CG-CD1 3.87Å; L557-L561 HydrophobicContact CG-CG 4.31Å; L557-L561 WeakPolarHBondContact O-CB 3.38Å; L557-L561 WeakPolarHBondContact O-CG 3.49Å; L557-L561 PolarHBondContact O-N 3.23Å; L561-R563 PolarHBondContact O-N 3.47Å; L561-V564 WeakPolarHBondContact O-CB 3.34Å; L561-V564 PolarHBondContact O-N 2.83Å; L561-V564 VanDerWaalsContact O-N 3.09Å; L561-V565 WeakPolarHBondContact O-CG2 3.36Å; L561-V565 PolarHBondContact O-N 3.41Å; L561-F576 HydrophobicContact CB-CB 4.41Å; L561-F576 HydrophobicContact CB-CD2 3.41Å; L561-F576 VanDerWaalsContact CB-CD2 3.41Å; L561-F576 HydrophobicContact CB-CE2 3.83Å; L561-F576 HydrophobicContact CB-CG 4.06Å; L561-F576 HydrophobicContact CD1-CD1 4.33Å; L561-F576 HydrophobicContact CD1-CD2 4.08Å; L561-F576 HydrophobicContact CD1-CE2 4.27Å; L561-F576 HydrophobicContact CD1-CG 4.06Å; L561-F576 HydrophobicContact CG-CD2 4.31Å; L561-F576 HydrophobicContact CG-CE2 4.45Å; L561-M584 HydrophobicContact CD1-CE 4.42Å; L561-M584 HydrophobicContact CD1-SD 3.84Å; L561-W605 HydrophobicContact CD2-CE3 4.38Å; L561-W605 HydrophobicContact CD2-CZ3 3.99Å; L561-I608 HydrophobicContact CD1-CD1 4.2Å; L561-I608 HydrophobicContact CD2-CD1 3.75Å
562N89.8Confident87.4Confident37 Ų3773.6 Ų73.620%0.19834%0.34CS..Hα-helixtrans-69.1-32.6179-72.5-15.7000113.7R558 I560 V564 A566 G575 F576R558-N562 WeakPolarHBondContact CG-ND2 3.27Å; R558-N562 VanDerWaalsContact O-CB 3.25Å; R558-N562 WeakPolarHBondContact O-CB 3.38Å; R558-N562 VanDerWaalsContact O-CG 3.24Å; R558-N562 PolarHBondContact O-N 2.88Å; R558-N562 PolarHBondContact O-ND2 3.33Å; I560-N562 VanDerWaalsContact C-N 3.32Å; I560-N562 PolarHBondContact O-N 3.34Å; N562-V564 PolarHBondContact O-N 2.94Å; N562-A566 WeakPolarHBondContact O-CB 3.36Å; N562-A566 PolarHBondContact O-N 3.16Å; N562-G575 VanDerWaalsContact OD1-CA 3.28Å; N562-G575 WeakPolarHBondContact OD1-CA 3.2Å; N562-F576 PolarHBondContact ND2-O 2.77Å; N562-F576 VanDerWaalsContact ND2-O 3.12Å; N562-F576 WeakPolarHBondContact OD1-CA 3.33Å; N562-F576 WeakPolarHBondContact OD1-CB 3.4Å; N562-F576 PolarHBondContact OD1-N 3.44Å
563R86.1Confident87.1Confident168 Ų16875.2 Ų75.263%0.63435%0.35SS*.Hα-helixtrans-65.1-32171.1-78.4178.3-175.4175.54.9112.2T559 I560 L561T559-R563 WeakPolarHBondContact O-CG 3.35Å; T559-R563 PolarHBondContact O-N 3.45Å; T559-R563 VanDerWaalsContact O-N 3.13Å; I560-R563 PolarHBondContact O-N 2.96Å; L561-R563 PolarHBondContact O-N 3.47Å
564V84.1Confident86.8Confident43 Ų4382 Ų8226%0.26138%0.384SS..Hα-helixtrans-77.8-50.9-179.4175.40000109.8I560 L561 N562 A566 R567 H568 W605I560-V564 VanDerWaalsContact O-CG2 3.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.47Å; I560-V564 PolarHBondContact O-N 3.15Å; L561-V564 WeakPolarHBondContact O-CB 3.34Å; L561-V564 PolarHBondContact O-N 2.83Å; L561-V564 VanDerWaalsContact O-N 3.09Å; N562-V564 PolarHBondContact O-N 2.94Å; V564-A566 VanDerWaalsContact C-N 3.27Å; V564-A566 PolarHBondContact O-N 3.25Å; V564-R567 WeakPolarHBondContact O-CB 3.23Å; V564-R567 PolarHBondContact O-N 3.12Å; V564-H568 PolarHBondContact O-CD2 3.48Å; V564-H568 VanDerWaalsContact O-CD2 3.27Å; V564-W605 HydrophobicContact CB-CH2 4.31Å; V564-W605 HydrophobicContact CG1-CH2 3.94Å; V564-W605 HydrophobicContact CG2-CH2 3.68Å; V564-W605 HydrophobicContact CG2-CZ3 4.27Å
565V85.8Confident86.7Confident14 Ų1481 Ų819%0.08538%0.382CS..Hα-helixtrans-58.5-38.6177.4172.20000111.7L561 R567 H568 L571 T573 F576 F662L561-V565 WeakPolarHBondContact O-CG2 3.36Å; L561-V565 PolarHBondContact O-N 3.41Å; V565-R567 PolarHBondContact O-N 3.1Å; V565-H568 WeakPolarHBondContact O-CA 3.26Å; V565-H568 WeakPolarHBondContact O-CB 3.23Å; V565-H568 PolarHBondContact O-N 3.22Å; V565-L571 HydrophobicContact CG1-CD1 4.43Å; V565-T573 HydrophobicContact CG1-CG2 3.35Å; V565-F576 HydrophobicContact CG2-CD2 3.78Å; V565-F576 HydrophobicContact CG2-CE2 3.35Å; V565-F576 HydrophobicContact CG2-CZ 4.43Å; V565-F662 HydrophobicContact CG2-CD1 4.29Å; V565-F662 HydrophobicContact CG2-CE1 4.37Å
566A85.2Confident86.7Confident79 Ų7971.6 Ų71.665%0.65335%0.347SS*.THydrogen-bonded Turntrans-60.8-17.2176.200000114.3N562 V564N562-A566 WeakPolarHBondContact O-CB 3.36Å; N562-A566 PolarHBondContact O-N 3.16Å; V564-A566 VanDerWaalsContact C-N 3.27Å; V564-A566 PolarHBondContact O-N 3.25Å
567R85.8Confident86.8Confident207 Ų20770.4 Ų70.478%0.78135%0.346SS*.THydrogen-bonded Turntrans-82.8-17.3173.3-62.1178.7177.6-175.1-0.5112.7V564 V565 K569V564-R567 WeakPolarHBondContact O-CB 3.23Å; V564-R567 PolarHBondContact O-N 3.12Å; V565-R567 PolarHBondContact O-N 3.1Å; R567-K569 PolarHBondContact O-N 3.33Å
568H84.1Confident86.7Confident53 Ų5373.6 Ų73.625%0.24536%0.362CS..  trans-97.383.7-179.4-64.8-63.3000110.3V564 V565 D570 L571 R616V564-H568 PolarHBondContact O-CD2 3.48Å; V564-H568 VanDerWaalsContact O-CD2 3.27Å; V565-H568 WeakPolarHBondContact O-CA 3.26Å; V565-H568 WeakPolarHBondContact O-CB 3.23Å; V565-H568 PolarHBondContact O-N 3.22Å; H568-D570 VanDerWaalsContact C-OD1 3.27Å; H568-D570 WeakPolarHBondContact CA-OD1 3.46Å; H568-D570 WeakPolarHBondContact CB-OD1 3.23Å; H568-D570 PolarHBondContact O-N 3.01Å; H568-L571 HydrophobicContact CB-CD1 3.77Å; H568-L571 HydrophobicContact CB-CG 4.01Å; H568-L571 PolarHBondContact O-N 3.35Å; H568-L571 VanDerWaalsContact O-N 3.15Å; H568-R616 PolarHBondContact ND1-NH2 3.27Å
569K81.9Confident86.4Confident201 Ų20173.8 Ų73.887%0.87437%0.367SS*.THydrogen-bonded Turntrans-67.3-13.6-179.2-62.8-172.3179.7-176.20114.1R567 L571R567-K569 PolarHBondContact O-N 3.33Å; K569-L571 VanDerWaalsContact C-N 3.3Å
570D84.3Confident86.4Confident75 Ų7570.5 Ų70.540%0.40135%0.348SS..THydrogen-bonded Turntrans-73.7-19.8174.453.8-55.2000112.8H568 R616 G624H568-D570 VanDerWaalsContact C-OD1 3.27Å; H568-D570 WeakPolarHBondContact CA-OD1 3.46Å; H568-D570 WeakPolarHBondContact CB-OD1 3.23Å; H568-D570 PolarHBondContact O-N 3.01Å; D570-R616 IonicContact OD1-NH2 2.66Å; D570-R616 PolarHBondContact OD1-NH2 3.35Å; D570-R616 IonicContact OD2-CZ 2.82Å; D570-R616 IonicContact OD2-NE 3.23Å; D570-R616 PolarHBondContact OD2-NE 2.91Å; D570-R616 IonicContact OD2-NH2 3.77Å; D570-R616 PolarHBondContact OD2-NH2 2.68Å; D570-G624 WeakPolarHBondContact O-CA 3.49Å
571L87.1Confident86.6Confident17 Ų1769.8 Ų69.89%0.08934%0.344CS..  trans-91.6133.1178.8-58.6176.3000110.8V565 H568 K569 T573 L612 F615 F662V565-L571 HydrophobicContact CG1-CD1 4.43Å; H568-L571 HydrophobicContact CB-CD1 3.77Å; H568-L571 HydrophobicContact CB-CG 4.01Å; H568-L571 PolarHBondContact O-N 3.35Å; H568-L571 VanDerWaalsContact O-N 3.15Å; K569-L571 VanDerWaalsContact C-N 3.3Å; L571-T573 HydrophobicContact CB-CG2 4.22Å; L571-L612 HydrophobicContact CD1-CD1 3.84Å; L571-L612 HydrophobicContact CD2-CD1 4.13Å; L571-F615 HydrophobicContact CD2-CD1 3.86Å; L571-F615 HydrophobicContact CD2-CE1 3.72Å; L571-F662 HydrophobicContact CD1-CB 4.36Å; L571-F662 HydrophobicContact CD1-CD1 3.94Å; L571-F662 HydrophobicContact CD1-CE1 4.44Å; L571-F662 HydrophobicContact CD1-CG 4.06Å; L571-F662 HydrophobicContact CD2-CB 4.45Å
572K84.8Confident86.5Confident130 Ų13074.5 Ų74.557%0.56536%0.362SS*.  trans-99.490.6173.4-172.3-174178.2-171.50108.8G624 D661K572-G624 WeakPolarHBondContact CB-O 3.43Å; K572-G624 PolarHBondContact N-O 3.3Å; K572-D661 WeakPolarHBondContact O-CB 3.02Å
573T82.6Confident86.3Confident33 Ų3373.3 Ų73.320%0.20236%0.356CS..  trans-149.6150.9-179.2178.70000110.7V565 L571 G575 D661 F662V565-T573 HydrophobicContact CG1-CG2 3.35Å; L571-T573 HydrophobicContact CB-CG2 4.22Å; T573-G575 PolarHBondContact O-N 3.16Å; T573-G575 PolarHBondContact OG1-N 3.37Å; T573-G575 VanDerWaalsContact OG1-N 3.15Å; T573-D661 VanDerWaalsContact CB-OD2 3.28Å; T573-D661 WeakPolarHBondContact CB-OD2 3.4Å; T573-D661 PolarHBondContact OG1-OD2 3.38Å; T573-F662 HydrophobicContact CG2-CB 4.5Å
574D83.3Confident86.4Confident172 Ų17265.3 Ų65.392%0.9233%0.326SS*.SBendtrans-80.42.7172.1-68.6-27.3000112.5
575G87.7Confident86.6Confident14 Ų1463.3 Ų63.314%0.14431%0.313CS..  trans88.4164.7-17300000111.9N562 T573 S577N562-G575 VanDerWaalsContact OD1-CA 3.28Å; N562-G575 WeakPolarHBondContact OD1-CA 3.2Å; T573-G575 PolarHBondContact O-N 3.16Å; T573-G575 PolarHBondContact OG1-N 3.37Å; T573-G575 VanDerWaalsContact OG1-N 3.15Å; G575-S577 PolarHBondContact O-N 2.92Å
576F90.5Very high86.3Confident4 Ų465.4 Ų65.42%0.01832%0.324CS..  trans-56.8127.6177.9-70.6-81.4000112.8R558 L561 N562 V565 M584 F662 D663 I666R558-F576 WeakPolarHBondContact CG-O 3.45Å; R558-F576 PolarHBondContact NE-O 3.28Å; L561-F576 HydrophobicContact CB-CB 4.41Å; L561-F576 HydrophobicContact CB-CD2 3.41Å; L561-F576 VanDerWaalsContact CB-CD2 3.41Å; L561-F576 HydrophobicContact CB-CE2 3.83Å; L561-F576 HydrophobicContact CB-CG 4.06Å; L561-F576 HydrophobicContact CD1-CD1 4.33Å; L561-F576 HydrophobicContact CD1-CD2 4.08Å; L561-F576 HydrophobicContact CD1-CE2 4.27Å; L561-F576 HydrophobicContact CD1-CG 4.06Å; L561-F576 HydrophobicContact CG-CD2 4.31Å; L561-F576 HydrophobicContact CG-CE2 4.45Å; N562-F576 PolarHBondContact ND2-O 2.77Å; N562-F576 VanDerWaalsContact ND2-O 3.12Å; N562-F576 WeakPolarHBondContact OD1-CA 3.33Å; N562-F576 WeakPolarHBondContact OD1-CB 3.4Å; N562-F576 PolarHBondContact OD1-N 3.44Å; V565-F576 HydrophobicContact CG2-CD2 3.78Å; V565-F576 HydrophobicContact CG2-CE2 3.35Å; V565-F576 HydrophobicContact CG2-CZ 4.43Å; F576-M584 HydrophobicContact CD1-CE 3.56Å; F576-M584 HydrophobicContact CE1-CE 3.51Å; F576-F662 HydrophobicContact CE2-CD1 4.2Å; F576-F662 HydrophobicContact CE2-CE1 4.01Å; F576-F662 AromaticContact CZ-CD1 3.83Å; F576-F662 HydrophobicContact CZ-CD1 3.83Å; F576-F662 AromaticContact CZ-CE1 3.55Å; F576-F662 HydrophobicContact CZ-CE1 3.55Å; F576-F662 HydrophobicContact CZ-CZ 4.49Å; F576-D663 HydrophobicContact CD1-CB 4.29Å; F576-D663 WeakPolarHBondContact CD1-OD1 3.43Å; F576-I666 HydrophobicContact CE1-CB 3.98Å; F576-I666 HydrophobicContact CE1-CG1 4.19Å; F576-I666 HydrophobicContact CE1-CG2 4.16Å; F576-I666 HydrophobicContact CZ-CG1 4.24Å
577S90.9Very high86Confident40 Ų4063 Ų6328%0.2830%0.3SS..  trans-72.1161.8171.584.90000111.8G575 E579 S580 C581 D663G575-S577 PolarHBondContact O-N 2.92Å; S577-E579 PolarHBondContact O-N 3.42Å; S577-E579 PolarHBondContact OG-N 3.07Å; S577-S580 PolarHBondContact OG-N 2.79Å; S577-S580 PolarHBondContact OG-OG 3.27Å; S577-C581 PolarHBondContact O-N 3.5Å; S577-C581 PolarHBondContact O-SG 3.2Å; S577-D663 WeakPolarHBondContact CB-OD2 3.36Å; S577-D663 PolarHBondContact N-OD2 3.46Å
578I89.8Confident85.8Confident68 Ų6853.9 Ų53.935%0.34927%0.267SS..Hα-helixtrans-64-33.1172.5-70.2171.8000110.5I554 C581 R582I554-I578 HydrophobicContact CG2-CG2 4.14Å; I578-C581 PolarHBondContact O-N 3.1Å; I578-R582 WeakPolarHBondContact O-CB 3.1Å; I578-R582 PolarHBondContact O-N 3.25Å
579E85.8Confident85.7Confident105 Ų10552.8 Ų52.849%0.49126%0.263SS..Hα-helixtrans-71.2-42.3-177.4-167.562-165.200111.5S577 C581 R582 T583S577-E579 PolarHBondContact O-N 3.42Å; S577-E579 PolarHBondContact OG-N 3.07Å; E579-C581 VanDerWaalsContact C-N 3.33Å; E579-C581 PolarHBondContact O-N 3.03Å; E579-R582 WeakPolarHBondContact O-CB 3.46Å; E579-R582 PolarHBondContact O-N 3.15Å; E579-R582 IonicContact OE2-CZ 3.74Å; E579-R582 IonicContact OE2-NH1 2.93Å; E579-R582 PolarHBondContact OE2-NH1 3.34Å; E579-T583 PolarHBondContact O-N 3.38Å; E579-T583 PolarHBondContact O-OG1 3.5Å
580S88.4Confident85.3Confident3 Ų351.3 Ų51.32%0.02126%0.256CS..Hα-helixtrans-60.5-45.2173.2-48.40000111S577 R582 T583 M584 D663S577-S580 PolarHBondContact OG-N 2.79Å; S577-S580 PolarHBondContact OG-OG 3.27Å; S580-R582 VanDerWaalsContact C-N 3.34Å; S580-R582 PolarHBondContact O-N 3.13Å; S580-T583 PolarHBondContact O-N 3.13Å; S580-M584 VanDerWaalsContact O-CG 3.27Å; S580-M584 WeakPolarHBondContact O-CG 3.49Å; S580-M584 PolarHBondContact O-N 2.96Å; S580-D663 WeakPolarHBondContact CB-OD1 3.41Å; S580-D663 VanDerWaalsContact OG-CG 3.26Å; S580-D663 PolarHBondContact OG-OD1 3.15Å; S580-D663 PolarHBondContact OG-OD2 3.3Å
581C90.8Very high85Confident0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-64-38.6176.3-67.30000112.1I554 L557 R558 S577 I578 E579 M584 V585I554-C581 HydrophobicContact CG2-CB 3.88Å; L557-C581 HydrophobicContact CD2-CB 4.08Å; L557-C581 HydrophobicContact CG-CB 4.39Å; R558-C581 WeakPolarHBondContact CA-SG 3.44Å; R558-C581 HydrophobicContact CB-CB 4.45Å; S577-C581 PolarHBondContact O-N 3.5Å; S577-C581 PolarHBondContact O-SG 3.2Å; I578-C581 PolarHBondContact O-N 3.1Å; E579-C581 VanDerWaalsContact C-N 3.33Å; E579-C581 PolarHBondContact O-N 3.03Å; C581-M584 PolarHBondContact O-N 3.42Å; C581-V585 VanDerWaalsContact O-CG2 3.3Å; C581-V585 WeakPolarHBondContact O-CG2 3.09Å; C581-V585 PolarHBondContact O-N 2.94Å
582R88.4Confident84.6Confident102 Ų10255 Ų5539%0.38529%0.291SS..Hα-helixtrans-62.1-45.1174.5-179179.4-67.8136.9-3.2111.2I554 I578 E579 S580 M584 V585 N586I554-R582 HydrophobicContact CD1-CB 4.13Å; I554-R582 HydrophobicContact CD1-CG 4.07Å; I554-R582 HydrophobicContact CG2-CB 4.36Å; I578-R582 WeakPolarHBondContact O-CB 3.1Å; I578-R582 PolarHBondContact O-N 3.25Å; E579-R582 WeakPolarHBondContact O-CB 3.46Å; E579-R582 PolarHBondContact O-N 3.15Å; E579-R582 IonicContact OE2-CZ 3.74Å; E579-R582 IonicContact OE2-NH1 2.93Å; E579-R582 PolarHBondContact OE2-NH1 3.34Å; S580-R582 VanDerWaalsContact C-N 3.34Å; S580-R582 PolarHBondContact O-N 3.13Å; R582-M584 VanDerWaalsContact C-N 3.33Å; R582-M584 PolarHBondContact O-N 2.64Å; R582-V585 PolarHBondContact O-N 2.69Å; R582-N586 VanDerWaalsContact O-CG 3.28Å; R582-N586 PolarHBondContact O-N 3.18Å; R582-N586 PolarHBondContact O-OD1 3.43Å
583T85.1Confident84.5Confident12 Ų1250.7 Ų50.77%0.07428%0.277CS..Hα-helixtrans-63.5-40.5178.6-52.30000111.2E579 S580 N586 L587 V670 K671E579-T583 PolarHBondContact O-N 3.38Å; E579-T583 PolarHBondContact O-OG1 3.5Å; S580-T583 PolarHBondContact O-N 3.13Å; T583-N586 PolarHBondContact O-N 3.11Å; T583-L587 PolarHBondContact O-N 3.43Å; T583-V670 HydrophobicContact CG2-CG1 3.9Å; T583-K671 HydrophobicContact CG2-CB 4.16Å
584M88.5Confident84.6Confident0 Ų051.7 Ų51.70%029%0.289CS..Hα-helixtrans-62.1-43.7174.4-72174.1-148.200112.7L557 L561 F576 S580 C581 R582 L587 M588 L604 I608 I666 V670L557-M584 HydrophobicContact CD2-CB 4.17Å; L557-M584 HydrophobicContact CD2-SD 4.5Å; L561-M584 HydrophobicContact CD1-CE 4.42Å; L561-M584 HydrophobicContact CD1-SD 3.84Å; F576-M584 HydrophobicContact CD1-CE 3.56Å; F576-M584 HydrophobicContact CE1-CE 3.51Å; S580-M584 VanDerWaalsContact O-CG 3.27Å; S580-M584 WeakPolarHBondContact O-CG 3.49Å; S580-M584 PolarHBondContact O-N 2.96Å; C581-M584 PolarHBondContact O-N 3.42Å; R582-M584 VanDerWaalsContact C-N 3.33Å; R582-M584 PolarHBondContact O-N 2.64Å; M584-L587 PolarHBondContact O-N 2.95Å; M584-M588 WeakPolarHBondContact O-CB 3.26Å; M584-M588 WeakPolarHBondContact O-CG 3.49Å; M584-M588 PolarHBondContact O-N 3.45Å; M584-L604 HydrophobicContact CB-CD1 4.05Å; M584-L604 HydrophobicContact CB-CD2 3.97Å; M584-L604 HydrophobicContact CG-CD1 4.09Å; M584-L604 HydrophobicContact SD-CD1 4.38Å; M584-I608 HydrophobicContact SD-CD1 4.06Å; M584-I666 HydrophobicContact CE-CB 4.37Å; M584-I666 HydrophobicContact CE-CG2 3.55Å; M584-I666 HydrophobicContact SD-CG2 4.45Å; M584-V670 HydrophobicContact CG-CG1 4.18Å; M584-V670 HydrophobicContact CG-CG2 3.91Å
585V87.3Confident84.8Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-62.9-50.8176.4174.10000109.7I554 L557 C581 R582 L587 M588 D589 A594 L596I554-V585 HydrophobicContact CG1-CB 4.32Å; I554-V585 HydrophobicContact CG1-CG2 3.96Å; L557-V585 HydrophobicContact CD2-CG2 3.81Å; C581-V585 VanDerWaalsContact O-CG2 3.3Å; C581-V585 WeakPolarHBondContact O-CG2 3.09Å; C581-V585 PolarHBondContact O-N 2.94Å; R582-V585 PolarHBondContact O-N 2.69Å; V585-L587 VanDerWaalsContact C-N 3.26Å; V585-L587 PolarHBondContact O-N 3.08Å; V585-M588 PolarHBondContact O-N 2.75Å; V585-D589 HydrophobicContact CG1-CB 4.4Å; V585-D589 WeakPolarHBondContact O-CB 3.34Å; V585-D589 PolarHBondContact O-N 3.43Å; V585-A594 VanDerWaalsContact CG1-C 3.49Å; V585-L596 HydrophobicContact CG1-CD2 4.47Å; V585-L596 HydrophobicContact CG1-CG 4.49Å; V585-L596 HydrophobicContact CG2-CD1 4.02Å; V585-L596 HydrophobicContact CG2-CD2 4.49Å; V585-L596 HydrophobicContact CG2-CG 4Å
586N80.6Confident84.9Confident59 Ų5947 Ų4732%0.31625%0.253SS..Hα-helixtrans-56.8-36.5180-70.73.6000113.5R582 T583 C703R582-N586 VanDerWaalsContact O-CG 3.28Å; R582-N586 PolarHBondContact O-N 3.18Å; R582-N586 PolarHBondContact O-OD1 3.43Å; T583-N586 PolarHBondContact O-N 3.11Å; N586-C703 PolarHBondContact ND2-O 3.3Å
587L78.7Confident84.8Confident28 Ų2847.8 Ų47.815%0.14726%0.263CS..Hα-helixtrans-69.6-36.3177.2173.969000112.4T583 M584 V585 V670 E673 A674T583-L587 PolarHBondContact O-N 3.43Å; M584-L587 PolarHBondContact O-N 2.95Å; V585-L587 VanDerWaalsContact C-N 3.26Å; V585-L587 PolarHBondContact O-N 3.08Å; L587-V670 HydrophobicContact CB-CG1 3.8Å; L587-V670 HydrophobicContact CD2-CB 4.11Å; L587-V670 HydrophobicContact CD2-CG1 3.53Å; L587-V670 HydrophobicContact CD2-CG2 4.44Å; L587-V670 HydrophobicContact CG-CG1 4.27Å; L587-E673 HydrophobicContact CD1-CB 4.44Å; L587-E673 HydrophobicContact CD1-CG 4.23Å; L587-E673 HydrophobicContact CD2-CB 4.25Å; L587-E673 HydrophobicContact CD2-CG 4.33Å; L587-A674 HydrophobicContact CB-CB 4.45Å; L587-A674 HydrophobicContact CD1-CB 3.49Å; L587-A674 VanDerWaalsContact CD1-CB 3.49Å; L587-A674 HydrophobicContact CG-CB 4.47Å
588M82.1Confident84.7Confident16 Ų1646.9 Ų46.98%0.07926%0.255CS..Hα-helixtrans-96.1-22.8-169.7-64-76.996.500113.3M584 V585 K590 L596 E600 I603 L604 K607M584-M588 WeakPolarHBondContact O-CB 3.26Å; M584-M588 WeakPolarHBondContact O-CG 3.49Å; M584-M588 PolarHBondContact O-N 3.45Å; V585-M588 PolarHBondContact O-N 2.75Å; M588-K590 PolarHBondContact O-N 2.83Å; M588-L596 HydrophobicContact CB-CD2 3.51Å; M588-L596 HydrophobicContact CG-CD2 4.49Å; M588-E600 HydrophobicContact CB-CB 4.48Å; M588-E600 WeakPolarHBondContact O-CG 3.26Å; M588-I603 HydrophobicContact SD-CB 4.41Å; M588-I603 HydrophobicContact SD-CG2 3.9Å; M588-L604 HydrophobicContact CG-CB 3.91Å; M588-L604 HydrophobicContact CG-CD1 3.98Å; M588-L604 HydrophobicContact CG-CD2 4.42Å; M588-L604 HydrophobicContact CG-CG 4.3Å; M588-L604 HydrophobicContact SD-CB 3.9Å; M588-L604 HydrophobicContact SD-CD1 4.34Å; M588-K607 HydrophobicContact CE-CD 4.16Å; M588-K607 HydrophobicContact SD-CD 4.39Å
589D80.9Confident84.6Confident30 Ų3045.5 Ų45.516%0.1625%0.249CC..  trans-6890.8179.3177.916.8000110.5V585 D591 G592 S593 A594V585-D589 HydrophobicContact CG1-CB 4.4Å; V585-D589 WeakPolarHBondContact O-CB 3.34Å; V585-D589 PolarHBondContact O-N 3.43Å; D589-D591 PolarHBondContact OD1-N 3.18Å; D589-G592 VanDerWaalsContact OD1-CA 3.27Å; D589-G592 WeakPolarHBondContact OD1-CA 3.33Å; D589-G592 PolarHBondContact OD1-N 3.22Å; D589-G592 VanDerWaalsContact OD2-C 3.32Å; D589-G592 WeakPolarHBondContact OD2-CA 3.19Å; D589-S593 PolarHBondContact OD1-N 3.36Å; D589-S593 PolarHBondContact OD1-OG 2.96Å; D589-S593 PolarHBondContact OD2-N 3.05Å; D589-A594 VanDerWaalsContact OD2-CA 3.24Å; D589-A594 WeakPolarHBondContact OD2-CA 3.16Å; D589-A594 PolarHBondContact OD2-N 3.15Å
590K73.4Confident84.7Confident169 Ų16941.5 Ų41.574%0.73523%0.231SC*.SBendtrans-82.8-19.5179.6-70.8-175.9179.3-178.50112M588 E600M588-K590 PolarHBondContact O-N 2.83Å; K590-E600 PolarHBondContact N-OE1 2.59Å
591D78.1Confident84.7Confident109 Ų10941.4 Ų41.458%0.58323%0.23SC*.SBendtrans-101.5-7.3-174.969.59.7000114.4D589 S593D589-D591 PolarHBondContact OD1-N 3.18Å; D591-S593 WeakPolarHBondContact OD1-CB 3.43Å; D591-S593 PolarHBondContact OD1-N 2.85Å; D591-S593 PolarHBondContact OD1-OG 3.24Å
592G78.8Confident84.6Confident62 Ų6242.5 Ų42.564%0.63924%0.235SC*.SBendtrans7819.7178.200000113.6D589 A594D589-G592 VanDerWaalsContact OD1-CA 3.27Å; D589-G592 WeakPolarHBondContact OD1-CA 3.33Å; D589-G592 PolarHBondContact OD1-N 3.22Å; D589-G592 VanDerWaalsContact OD2-C 3.32Å; D589-G592 WeakPolarHBondContact OD2-CA 3.19Å; G592-A594 PolarHBondContact O-N 2.97Å
593S83.4Confident84.5Confident38 Ų3839.2 Ų39.227%0.26623%0.225SC..  trans-72.4-13.8-179.561.60000113.7D589 D591 R595D589-S593 PolarHBondContact OD1-N 3.36Å; D589-S593 PolarHBondContact OD1-OG 2.96Å; D589-S593 PolarHBondContact OD2-N 3.05Å; D591-S593 WeakPolarHBondContact OD1-CB 3.43Å; D591-S593 PolarHBondContact OD1-N 2.85Å; D591-S593 PolarHBondContact OD1-OG 3.24Å; S593-R595 PolarHBondContact O-N 3.43Å; S593-R595 PolarHBondContact OG-N 2.79Å; S593-R595 PolarHBondContact OG-O 2.83Å
594A84.1Confident84.6Confident55 Ų5538.7 Ų38.746%0.45522%0.222SC..SBendtrans56.426-167.200000113.2V585 D589 G592V585-A594 VanDerWaalsContact CG1-C 3.49Å; D589-A594 VanDerWaalsContact OD2-CA 3.24Å; D589-A594 WeakPolarHBondContact OD2-CA 3.16Å; D589-A594 PolarHBondContact OD2-N 3.15Å; G592-A594 PolarHBondContact O-N 2.97Å
595R88.2Confident84.6Confident86 Ų8640.7 Ų40.733%0.32523%0.229SC..SBendtrans-142178.3-178.2-63.3172.8171-149.4-11.7108.8D549 E551 S593D549-R595 IonicContact OD2-CZ 3.56Å; D549-R595 IonicContact OD2-NH1 2.7Å; D549-R595 PolarHBondContact OD2-NH1 2.85Å; D549-R595 IonicContact OD2-NH2 3.69Å; E551-R595 HydrophobicContact CB-CB 4.08Å; E551-R595 WeakPolarHBondContact OE2-CD 3.48Å; E551-R595 IonicContact OE2-CZ 2.76Å; E551-R595 IonicContact OE2-NE 3.74Å; E551-R595 IonicContact OE2-NH1 3.93Å; E551-R595 PolarHBondContact OE2-NH1 2.76Å; S593-R595 PolarHBondContact O-N 3.43Å; S593-R595 PolarHBondContact OG-N 2.79Å; S593-R595 PolarHBondContact OG-O 2.83Å
596L88.8Confident84.6Confident0 Ų043.3 Ų43.30%024%0.243CC..BIsolated β-bridgetrans-119.8120.4178.4-62172.9000111.2E551 I552 L557 V585 M588 E600 F601 L604E551-L596 WeakPolarHBondContact CA-O 3.46Å; I552-L596 HydrophobicContact CB-CB 4.32Å; I552-L596 PolarHBondContact N-O 2.88Å; I552-L596 PolarHBondContact O-N 2.75Å; L557-L596 HydrophobicContact CD1-CD1 4.34Å; L557-L596 HydrophobicContact CD2-CD1 4Å; V585-L596 HydrophobicContact CG1-CD2 4.47Å; V585-L596 HydrophobicContact CG1-CG 4.49Å; V585-L596 HydrophobicContact CG2-CD1 4.02Å; V585-L596 HydrophobicContact CG2-CD2 4.49Å; V585-L596 HydrophobicContact CG2-CG 4Å; M588-L596 HydrophobicContact CB-CD2 3.51Å; M588-L596 HydrophobicContact CG-CD2 4.49Å; L596-E600 HydrophobicContact CD2-CB 4.01Å; L596-F601 HydrophobicContact CB-CB 4.25Å; L596-F601 HydrophobicContact CD1-CD2 4.21Å; L596-L604 HydrophobicContact CD1-CD2 3.61Å
597G89.6Confident84.9Confident21 Ų2142.2 Ų42.222%0.21624%0.235CC..  trans-71.1173.6165.200000112.4V599 E600 F601G597-V599 PolarHBondContact O-N 3.32Å; G597-E600 PolarHBondContact N-OE2 2.78Å; G597-E600 PolarHBondContact O-N 2.87Å; G597-F601 WeakPolarHBondContact O-CB 3.48Å; G597-F601 PolarHBondContact O-N 2.83Å
598L87.6Confident85.4Confident21 Ų2141.5 Ų41.511%0.1123%0.232CC..Hα-helixtrans-56.1-47.6-177.8173.166.8000112.7E531 I534 F538 K539 F542 Q602E531-L598 HydrophobicContact CG-CD2 4.35Å; I534-L598 HydrophobicContact CD1-CD1 4.45Å; I534-L598 HydrophobicContact CD1-CD2 4.19Å; I534-L598 HydrophobicContact CD1-CG 3.83Å; I534-L598 HydrophobicContact CG2-CD1 4.43Å; F538-L598 HydrophobicContact CD1-CD1 4.2Å; F538-L598 HydrophobicContact CE1-CD1 4.33Å; K539-L598 HydrophobicContact CD-CD2 4.48Å; K539-L598 HydrophobicContact CG-CD1 4.41Å; K539-L598 HydrophobicContact CG-CD2 4Å; F542-L598 HydrophobicContact CB-CD1 3.6Å; F542-L598 HydrophobicContact CD1-CB 4.03Å; F542-L598 HydrophobicContact CD1-CD1 3.65Å; F542-L598 HydrophobicContact CD1-CG 4.41Å; F542-L598 HydrophobicContact CD2-CD1 4.1Å; F542-L598 HydrophobicContact CE1-CB 3.86Å; F542-L598 HydrophobicContact CE1-CD1 4.35Å; F542-L598 HydrophobicContact CG-CB 4.44Å; F542-L598 HydrophobicContact CG-CD1 3.5Å; F542-L598 VanDerWaalsContact CG-CD1 3.5Å; F542-L598 HydrophobicContact CZ-CB 4.12Å; L598-Q602 WeakPolarHBondContact O-CB 3.15Å; L598-Q602 PolarHBondContact O-N 3.5Å
599V87.1Confident85.7Confident39 Ų3947.9 Ų47.924%0.23626%0.255CS..Hα-helixtrans-67.6-46.1-177.7178.70000110.8I529 E531 I534 G597 F601 Q602 I603I529-V599 WeakPolarHBondContact O-CG1 3.44Å; E531-V599 HydrophobicContact CG-CG2 3.72Å; I534-V599 HydrophobicContact CD1-CG2 4.08Å; G597-V599 PolarHBondContact O-N 3.32Å; V599-F601 VanDerWaalsContact C-N 3.35Å; V599-F601 PolarHBondContact O-N 2.94Å; V599-Q602 PolarHBondContact O-N 3.37Å; V599-I603 HydrophobicContact CG1-CD1 4.05Å; V599-I603 WeakPolarHBondContact O-CG1 3.31Å; V599-I603 PolarHBondContact O-N 3.02Å
600E88.1Confident86.1Confident21 Ų2152.1 Ų52.110%0.09827%0.272CS..Hα-helixtrans-62.3-42.7178.8-61.6172.5148.800111.4M588 K590 L596 G597 Q602 I603 L604M588-E600 HydrophobicContact CB-CB 4.48Å; M588-E600 WeakPolarHBondContact O-CG 3.26Å; K590-E600 PolarHBondContact N-OE1 2.59Å; L596-E600 HydrophobicContact CD2-CB 4.01Å; G597-E600 PolarHBondContact N-OE2 2.78Å; G597-E600 PolarHBondContact O-N 2.87Å; E600-Q602 PolarHBondContact O-N 3.09Å; E600-I603 PolarHBondContact O-N 3.11Å; E600-L604 WeakPolarHBondContact O-CB 3.18Å; E600-L604 PolarHBondContact O-N 3.02Å
601F89.2Confident86.9Confident1 Ų144.5 Ų44.50%0.00424%0.238CC..Hα-helixtrans-64.9-38.6176-178-109.6000112.5F538 F542 I552 L557 I560 L596 G597 V599 L604 W605F538-F601 AromaticContact CE1-CD1 3.79Å; F538-F601 HydrophobicContact CE1-CD1 3.79Å; F538-F601 HydrophobicContact CE1-CE1 4.22Å; F538-F601 HydrophobicContact CE2-CE1 4.33Å; F538-F601 AromaticContact CZ-CD1 3.49Å; F538-F601 HydrophobicContact CZ-CD1 3.49Å; F538-F601 VanDerWaalsContact CZ-CD1 3.49Å; F538-F601 AromaticContact CZ-CE1 3.56Å; F538-F601 HydrophobicContact CZ-CE1 3.56Å; F542-F601 HydrophobicContact CD2-CB 4.08Å; F542-F601 AromaticContact CD2-CD1 3.61Å; F542-F601 HydrophobicContact CD2-CD1 3.61Å; F542-F601 HydrophobicContact CD2-CE1 4.37Å; F542-F601 HydrophobicContact CD2-CG 4.06Å; F542-F601 HydrophobicContact CE2-CB 3.84Å; F542-F601 HydrophobicContact CE2-CD1 4.19Å; F542-F601 HydrophobicContact CE2-CG 4.17Å; I552-F601 HydrophobicContact CD1-CB 4.34Å; I552-F601 HydrophobicContact CD1-CD1 3.84Å; I552-F601 HydrophobicContact CD1-CD2 3.62Å; I552-F601 HydrophobicContact CD1-CE1 3.98Å; I552-F601 HydrophobicContact CD1-CE2 3.78Å; I552-F601 HydrophobicContact CD1-CG 3.64Å; I552-F601 HydrophobicContact CD1-CZ 3.96Å; L557-F601 HydrophobicContact CD1-CD2 4.21Å; L557-F601 HydrophobicContact CD1-CE2 3.76Å; I560-F601 HydrophobicContact CG2-CZ 4.32Å; L596-F601 HydrophobicContact CB-CB 4.25Å; L596-F601 HydrophobicContact CD1-CD2 4.21Å; G597-F601 WeakPolarHBondContact O-CB 3.48Å; G597-F601 PolarHBondContact O-N 2.83Å; V599-F601 VanDerWaalsContact C-N 3.35Å; V599-F601 PolarHBondContact O-N 2.94Å; F601-L604 PolarHBondContact O-N 3.14Å; F601-W605 HydrophobicContact CZ-CE3 4.15Å; F601-W605 VanDerWaalsContact O-CB 3.24Å; F601-W605 WeakPolarHBondContact O-CB 3.42Å; F601-W605 PolarHBondContact O-N 2.9Å
602Q87.8Confident87.5Confident23 Ų2340.3 Ų40.311%0.10722%0.216CC..Hα-helixtrans-63.3-44175.5174.666.4-6.500111.7I529 I534 F538 L598 V599 E600 W605 N606I529-Q602 HydrophobicContact CD1-CG 4.31Å; I529-Q602 HydrophobicContact CG2-CG 4.29Å; I534-Q602 HydrophobicContact CD1-CB 3.97Å; I534-Q602 HydrophobicContact CD1-CG 4.17Å; I534-Q602 HydrophobicContact CG1-CB 4.46Å; I534-Q602 HydrophobicContact CG1-CG 4.12Å; F538-Q602 HydrophobicContact CD1-CB 4.41Å; F538-Q602 VanDerWaalsContact CD1-OE1 3.3Å; F538-Q602 VanDerWaalsContact CD2-OE1 3.27Å; F538-Q602 HydrophobicContact CE1-CB 3.78Å; F538-Q602 HydrophobicContact CE1-CG 4.42Å; F538-Q602 HydrophobicContact CZ-CB 4.21Å; L598-Q602 WeakPolarHBondContact O-CB 3.15Å; L598-Q602 PolarHBondContact O-N 3.5Å; V599-Q602 PolarHBondContact O-N 3.37Å; E600-Q602 PolarHBondContact O-N 3.09Å; Q602-W605 PolarHBondContact O-N 2.81Å; Q602-N606 PolarHBondContact O-N 2.92Å
603I86.1Confident88.1Confident34 Ų3441.8 Ų41.817%0.17421%0.213CC..Hα-helixtrans-60.6-49.6176.4-66.6164.8000110I529 M588 V599 E600 W605 N606 K607I529-I603 HydrophobicContact CB-CG1 4.48Å; I529-I603 HydrophobicContact CD1-CG1 3.98Å; M588-I603 HydrophobicContact SD-CB 4.41Å; M588-I603 HydrophobicContact SD-CG2 3.9Å; V599-I603 HydrophobicContact CG1-CD1 4.05Å; V599-I603 WeakPolarHBondContact O-CG1 3.31Å; V599-I603 PolarHBondContact O-N 3.02Å; E600-I603 PolarHBondContact O-N 3.11Å; I603-W605 VanDerWaalsContact C-N 3.3Å; I603-W605 PolarHBondContact O-N 2.86Å; I603-N606 PolarHBondContact O-N 3.39Å; I603-K607 HydrophobicContact CG2-CD 4.26Å; I603-K607 WeakPolarHBondContact O-CG 3.34Å; I603-K607 PolarHBondContact O-N 3.37Å
604L88Confident88.4Confident1 Ų140.6 Ų40.61%0.00520%0.203CC..Hα-helixtrans-57.8-44.4177.6-179.459.1000111.6L557 M584 M588 L596 E600 F601 N606 K607 I608L557-L604 HydrophobicContact CD1-CD2 4.15Å; L557-L604 HydrophobicContact CD2-CD2 4.06Å; M584-L604 HydrophobicContact CB-CD1 4.05Å; M584-L604 HydrophobicContact CB-CD2 3.97Å; M584-L604 HydrophobicContact CG-CD1 4.09Å; M584-L604 HydrophobicContact SD-CD1 4.38Å; M588-L604 HydrophobicContact CG-CB 3.91Å; M588-L604 HydrophobicContact CG-CD1 3.98Å; M588-L604 HydrophobicContact CG-CD2 4.42Å; M588-L604 HydrophobicContact CG-CG 4.3Å; M588-L604 HydrophobicContact SD-CB 3.9Å; M588-L604 HydrophobicContact SD-CD1 4.34Å; L596-L604 HydrophobicContact CD1-CD2 3.61Å; E600-L604 WeakPolarHBondContact O-CB 3.18Å; E600-L604 PolarHBondContact O-N 3.02Å; F601-L604 PolarHBondContact O-N 3.14Å; L604-N606 PolarHBondContact O-N 3.35Å; L604-K607 PolarHBondContact O-N 3.43Å; L604-I608 HydrophobicContact CD1-CD1 4.04Å; L604-I608 HydrophobicContact CD1-CG1 4.24Å; L604-I608 HydrophobicContact CG-CD1 3.92Å; L604-I608 HydrophobicContact CG-CG1 4.49Å; L604-I608 WeakPolarHBondContact O-CG1 3.44Å; L604-I608 PolarHBondContact O-N 3.09Å
605W87.9Confident88.7Confident42 Ų4238 Ų3816%0.15918%0.182CC..Hα-helixtrans-62.5-42.9-179.8-173.5-104.9000112.4F538 L561 V564 F601 Q602 I603 I608 R609F538-W605 HydrophobicContact CE2-CB 4.34Å; F538-W605 AromaticContact CE2-CD1 3.67Å; F538-W605 AromaticContact CE2-CG 3.97Å; F538-W605 HydrophobicContact CE2-CG 3.97Å; F538-W605 HydrophobicContact CZ-CB 4.2Å; F538-W605 HydrophobicContact CZ-CG 4.29Å; L561-W605 HydrophobicContact CD2-CE3 4.38Å; L561-W605 HydrophobicContact CD2-CZ3 3.99Å; V564-W605 HydrophobicContact CB-CH2 4.31Å; V564-W605 HydrophobicContact CG1-CH2 3.94Å; V564-W605 HydrophobicContact CG2-CH2 3.68Å; V564-W605 HydrophobicContact CG2-CZ3 4.27Å; F601-W605 HydrophobicContact CZ-CE3 4.15Å; F601-W605 VanDerWaalsContact O-CB 3.24Å; F601-W605 WeakPolarHBondContact O-CB 3.42Å; F601-W605 PolarHBondContact O-N 2.9Å; Q602-W605 PolarHBondContact O-N 2.81Å; I603-W605 VanDerWaalsContact C-N 3.3Å; I603-W605 PolarHBondContact O-N 2.86Å; W605-I608 PolarHBondContact O-N 3.31Å; W605-R609 WeakPolarHBondContact O-CG 3.32Å; W605-R609 PolarHBondContact O-N 2.87Å
606N87.8Confident88.7Confident54 Ų5438.5 Ų38.529%0.28918%0.184SC..Hα-helixtrans-63.5-41.3175.8-73.3-15.5000111.8Q602 I603 L604 R609 K610Q602-N606 PolarHBondContact O-N 2.92Å; I603-N606 PolarHBondContact O-N 3.39Å; L604-N606 PolarHBondContact O-N 3.35Å; N606-R609 PolarHBondContact O-N 2.87Å; N606-K610 PolarHBondContact O-N 2.87Å
607K88.1Confident88.7Confident36 Ų3644.5 Ų44.516%0.15721%0.212CC..Hα-helixtrans-61.1-50174.3-73.1175.5175.1-74.40112.1M588 I603 L604 R609 K610 W611 E673M588-K607 HydrophobicContact CE-CD 4.16Å; M588-K607 HydrophobicContact SD-CD 4.39Å; I603-K607 HydrophobicContact CG2-CD 4.26Å; I603-K607 WeakPolarHBondContact O-CG 3.34Å; I603-K607 PolarHBondContact O-N 3.37Å; L604-K607 PolarHBondContact O-N 3.43Å; K607-R609 VanDerWaalsContact C-N 3.26Å; K607-R609 PolarHBondContact O-N 3.24Å; K607-K610 PolarHBondContact O-N 3.24Å; K607-K610 VanDerWaalsContact O-N 3.13Å; K607-W611 HydrophobicContact CB-CE3 4.27Å; K607-W611 HydrophobicContact CB-CH2 4.21Å; K607-W611 HydrophobicContact CB-CZ3 4.05Å; K607-W611 HydrophobicContact CD-CH2 4.36Å; K607-W611 PolarHBondContact O-N 2.65Å; K607-E673 IonicContact NZ-OE1 3.21Å; K607-E673 PolarHBondContact NZ-OE1 2.92Å; K607-E673 IonicContact NZ-OE2 2.87Å; K607-E673 PolarHBondContact NZ-OE2 2.91Å
608I88.9Confident88.6Confident13 Ų1345.2 Ų45.27%0.06721%0.209CC..Hα-helixtrans-58.9-39.9178-67.9171.7000110.8L561 M584 L604 W605 L612 F662 I666L561-I608 HydrophobicContact CD1-CD1 4.2Å; L561-I608 HydrophobicContact CD2-CD1 3.75Å; M584-I608 HydrophobicContact SD-CD1 4.06Å; L604-I608 HydrophobicContact CD1-CD1 4.04Å; L604-I608 HydrophobicContact CD1-CG1 4.24Å; L604-I608 HydrophobicContact CG-CD1 3.92Å; L604-I608 HydrophobicContact CG-CG1 4.49Å; L604-I608 WeakPolarHBondContact O-CG1 3.44Å; L604-I608 PolarHBondContact O-N 3.09Å; W605-I608 PolarHBondContact O-N 3.31Å; I608-L612 VanDerWaalsContact O-CB 3.28Å; I608-L612 WeakPolarHBondContact O-CB 3.44Å; I608-L612 PolarHBondContact O-N 2.94Å; I608-F662 HydrophobicContact CG2-CZ 4.35Å; I608-I666 HydrophobicContact CG1-CG2 4.28Å
609R88.1Confident88.5Confident151 Ų15145.1 Ų45.157%0.5721%0.209SC*.Hα-helixtrans-65.1-43.9175.8-74.9179.565.6-175.20.8112.6W605 N606 K607 L612 V613W605-R609 WeakPolarHBondContact O-CG 3.32Å; W605-R609 PolarHBondContact O-N 2.87Å; N606-R609 PolarHBondContact O-N 2.87Å; K607-R609 VanDerWaalsContact C-N 3.26Å; K607-R609 PolarHBondContact O-N 3.24Å; R609-L612 PolarHBondContact O-N 3.35Å; R609-V613 WeakPolarHBondContact O-CG2 3.32Å; R609-V613 PolarHBondContact O-N 3.47Å
610K89.3Confident88.2Confident119 Ų11948.4 Ų48.452%0.51722%0.224SC..Hα-helixtrans-59.4-50.9176.2-175.5-179.3177.9-176.20110.2N606 K607 L612 V613 T614N606-K610 PolarHBondContact O-N 2.87Å; K607-K610 PolarHBondContact O-N 3.24Å; K607-K610 VanDerWaalsContact O-N 3.13Å; K610-L612 VanDerWaalsContact C-N 3.33Å; K610-L612 PolarHBondContact O-N 3.49Å; K610-V613 WeakPolarHBondContact O-CB 3.18Å; K610-V613 PolarHBondContact O-N 3.48Å; K610-V613 VanDerWaalsContact O-N 3.1Å; K610-T614 PolarHBondContact O-N 3.1Å; K610-T614 PolarHBondContact O-OG1 3.09Å
611W90.7Very high87.8Confident8 Ų851.7 Ų51.73%0.0324%0.243CC..Hα-helixtrans-68.2-28.1179.7-62.9-32.1000113.6K607 V613 T614 F615 F665 I666 L669 V670K607-W611 HydrophobicContact CB-CE3 4.27Å; K607-W611 HydrophobicContact CB-CH2 4.21Å; K607-W611 HydrophobicContact CB-CZ3 4.05Å; K607-W611 HydrophobicContact CD-CH2 4.36Å; K607-W611 PolarHBondContact O-N 2.65Å; W611-V613 VanDerWaalsContact C-N 3.33Å; W611-T614 PolarHBondContact O-N 3.5Å; W611-F615 VanDerWaalsContact O-CB 3.31Å; W611-F615 WeakPolarHBondContact O-CB 3.46Å; W611-F615 PolarHBondContact O-N 3.32Å; W611-F665 HydrophobicContact CB-CE1 4.17Å; W611-I666 HydrophobicContact CB-CD1 3.46Å; W611-I666 VanDerWaalsContact CB-CD1 3.46Å; W611-I666 HydrophobicContact CD2-CD1 4.33Å; W611-I666 HydrophobicContact CE3-CD1 3.79Å; W611-I666 HydrophobicContact CE3-CG2 4.18Å; W611-I666 HydrophobicContact CG-CD1 4.28Å; W611-I666 HydrophobicContact CZ3-CG2 4.32Å; W611-L669 HydrophobicContact CB-CD1 4.18Å; W611-L669 HydrophobicContact CD2-CB 4.22Å; W611-L669 HydrophobicContact CD2-CD1 3.74Å; W611-L669 HydrophobicContact CE3-CB 4.37Å; W611-L669 HydrophobicContact CE3-CD1 4.48Å; W611-L669 HydrophobicContact CG-CD1 3.59Å; W611-L669 HydrophobicContact CH2-CB 4.09Å; W611-L669 HydrophobicContact CZ2-CB 3.94Å; W611-L669 HydrophobicContact CZ3-CB 4.32Å; W611-V670 HydrophobicContact CH2-CG2 3.92Å; W611-V670 HydrophobicContact CZ3-CG2 3.5Å
612L89.7Confident87.5Confident22 Ų2260.3 Ų60.312%0.11528%0.28CS..Hα-helixtrans-64.3-37.6170178.761.3000112.3L571 I608 R609 K610 R616 F662L571-L612 HydrophobicContact CD1-CD1 3.84Å; L571-L612 HydrophobicContact CD2-CD1 4.13Å; I608-L612 VanDerWaalsContact O-CB 3.28Å; I608-L612 WeakPolarHBondContact O-CB 3.44Å; I608-L612 PolarHBondContact O-N 2.94Å; R609-L612 PolarHBondContact O-N 3.35Å; K610-L612 VanDerWaalsContact C-N 3.33Å; K610-L612 PolarHBondContact O-N 3.49Å; L612-R616 WeakPolarHBondContact O-CG 3.35Å; L612-R616 PolarHBondContact O-N 3.03Å; L612-R616 VanDerWaalsContact O-N 3.16Å; L612-F662 HydrophobicContact CB-CE2 4Å; L612-F662 HydrophobicContact CB-CZ 3.8Å; L612-F662 HydrophobicContact CD1-CD2 4.22Å; L612-F662 HydrophobicContact CD1-CE1 4.26Å; L612-F662 HydrophobicContact CD1-CE2 3.68Å; L612-F662 HydrophobicContact CD1-CZ 3.71Å; L612-F662 HydrophobicContact CG-CE2 4.45Å; L612-F662 HydrophobicContact CG-CZ 4.28Å
613V90.8Very high87.4Confident93 Ų9361.5 Ų61.556%0.56429%0.291SS*.Hα-helixtrans-66.3-47.8174.4175.20000109.9R609 K610 W611 F615 R616 E617R609-V613 WeakPolarHBondContact O-CG2 3.32Å; R609-V613 PolarHBondContact O-N 3.47Å; K610-V613 WeakPolarHBondContact O-CB 3.18Å; K610-V613 PolarHBondContact O-N 3.48Å; K610-V613 VanDerWaalsContact O-N 3.1Å; W611-V613 VanDerWaalsContact C-N 3.33Å; V613-F615 PolarHBondContact O-N 3.41Å; V613-R616 PolarHBondContact O-N 3.45Å; V613-E617 WeakPolarHBondContact O-CB 3.13Å; V613-E617 PolarHBondContact O-N 2.79Å
614T90.4Very high87.3Confident12 Ų1260 Ų607%0.07428%0.284CS..Hα-helixtrans-56.8-48175.5-52.30000111.4K610 W611 R616 E617 F618 A634 A637K610-T614 PolarHBondContact O-N 3.1Å; K610-T614 PolarHBondContact O-OG1 3.09Å; W611-T614 PolarHBondContact O-N 3.5Å; T614-R616 VanDerWaalsContact C-N 3.3Å; T614-R616 PolarHBondContact O-N 2.86Å; T614-E617 PolarHBondContact O-N 3.11Å; T614-E617 VanDerWaalsContact O-N 3.13Å; T614-F618 HydrophobicContact CG2-CD2 3.81Å; T614-F618 HydrophobicContact CG2-CE2 4.06Å; T614-F618 VanDerWaalsContact O-CD2 3.3Å; T614-F618 WeakPolarHBondContact O-CD2 3.47Å; T614-F618 PolarHBondContact O-N 2.84Å; T614-A634 HydrophobicContact CG2-CB 4.26Å; T614-A637 HydrophobicContact CG2-CB 3.94Å
615F89.7Confident87.2Confident0 Ų060.1 Ų60.10%029%0.285CS..Hα-helixtrans-54.9-45.8177.8-174.1-81.3000111.7L571 W611 V613 F618 D619 M626 F662 F665L571-F615 HydrophobicContact CD2-CD1 3.86Å; L571-F615 HydrophobicContact CD2-CE1 3.72Å; W611-F615 VanDerWaalsContact O-CB 3.31Å; W611-F615 WeakPolarHBondContact O-CB 3.46Å; W611-F615 PolarHBondContact O-N 3.32Å; V613-F615 PolarHBondContact O-N 3.41Å; F615-F618 PolarHBondContact O-N 3.45Å; F615-D619 WeakPolarHBondContact O-CB 3.28Å; F615-D619 PolarHBondContact O-N 2.91Å; F615-M626 HydrophobicContact CD2-CE 3.22Å; F615-M626 HydrophobicContact CD2-CG 3.96Å; F615-M626 HydrophobicContact CD2-SD 3.78Å; F615-M626 HydrophobicContact CE2-CB 4.38Å; F615-M626 HydrophobicContact CE2-CE 3.47Å; F615-M626 VanDerWaalsContact CE2-CE 3.47Å; F615-M626 HydrophobicContact CE2-CG 3.7Å; F615-M626 HydrophobicContact CE2-SD 4.1Å; F615-M626 HydrophobicContact CG-CE 4.23Å; F615-M626 HydrophobicContact CG-CG 4.49Å; F615-M626 HydrophobicContact CG-SD 4.28Å; F615-M626 HydrophobicContact CZ-CG 4.01Å; F615-F662 HydrophobicContact CB-CD2 4.12Å; F615-F662 HydrophobicContact CB-CE2 4.2Å; F615-F662 HydrophobicContact CD1-CD2 4.26Å; F615-F662 AromaticContact CD2-CD2 3.73Å; F615-F662 HydrophobicContact CD2-CD2 3.73Å; F615-F662 HydrophobicContact CE2-CB 4.19Å; F615-F662 HydrophobicContact CE2-CD2 4.17Å; F615-F662 AromaticContact CG-CD2 3.78Å; F615-F662 HydrophobicContact CG-CD2 3.78Å; F615-F662 HydrophobicContact CG-CE2 4.36Å; F615-F662 HydrophobicContact CZ-CB 4.22Å; F615-F665 HydrophobicContact CB-CD1 4.19Å; F615-F665 HydrophobicContact CB-CE1 4.05Å; F615-F665 HydrophobicContact CD2-CB 4.04Å; F615-F665 AromaticContact CD2-CD1 3.61Å; F615-F665 HydrophobicContact CD2-CD1 3.61Å; F615-F665 HydrophobicContact CD2-CE1 4.18Å; F615-F665 AromaticContact CD2-CG 3.93Å; F615-F665 HydrophobicContact CD2-CG 3.93Å; F615-F665 HydrophobicContact CE2-CB 4.15Å; F615-F665 HydrophobicContact CE2-CG 4.48Å; F615-F665 HydrophobicContact CG-CD1 4.39Å
616R88.9Confident87.2Confident97 Ų9758.1 Ų58.137%0.36628%0.277SS..Hα-helixtrans-69.4-33.2178.9-76.8178.6168138.17.7114H568 D570 L612 V613 T614 F618H568-R616 PolarHBondContact ND1-NH2 3.27Å; D570-R616 IonicContact OD1-NH2 2.66Å; D570-R616 PolarHBondContact OD1-NH2 3.35Å; D570-R616 IonicContact OD2-CZ 2.82Å; D570-R616 IonicContact OD2-NE 3.23Å; D570-R616 PolarHBondContact OD2-NE 2.91Å; D570-R616 IonicContact OD2-NH2 3.77Å; D570-R616 PolarHBondContact OD2-NH2 2.68Å; L612-R616 WeakPolarHBondContact O-CG 3.35Å; L612-R616 PolarHBondContact O-N 3.03Å; L612-R616 VanDerWaalsContact O-N 3.16Å; V613-R616 PolarHBondContact O-N 3.45Å; T614-R616 VanDerWaalsContact C-N 3.3Å; T614-R616 PolarHBondContact O-N 2.86Å; R616-F618 VanDerWaalsContact C-N 3.31Å
617E89.6Confident87Confident127 Ų12756 Ų5659%0.59327%0.267SS*.Hα-helixtrans-67.5-37.5177.9-176.6174.3-170.700111.1V613 T614V613-E617 WeakPolarHBondContact O-CB 3.13Å; V613-E617 PolarHBondContact O-N 2.79Å; T614-E617 PolarHBondContact O-N 3.11Å; T614-E617 VanDerWaalsContact O-N 3.13Å
618F87.6Confident86.5Confident36 Ų3655 Ų5516%0.15826%0.264CS..Hα-helixtrans-98.5-4.9-177.6-69.1-79.3000114.5T614 F615 R616 L620 E630 L633 A634 A637T614-F618 HydrophobicContact CG2-CD2 3.81Å; T614-F618 HydrophobicContact CG2-CE2 4.06Å; T614-F618 VanDerWaalsContact O-CD2 3.3Å; T614-F618 WeakPolarHBondContact O-CD2 3.47Å; T614-F618 PolarHBondContact O-N 2.84Å; F615-F618 PolarHBondContact O-N 3.45Å; R616-F618 VanDerWaalsContact C-N 3.31Å; F618-L620 PolarHBondContact O-N 2.91Å; F618-E630 VanDerWaalsContact O-CB 3.22Å; F618-E630 WeakPolarHBondContact O-CB 3.18Å; F618-E630 WeakPolarHBondContact O-CG 3.5Å; F618-L633 HydrophobicContact CD1-CB 3.55Å; F618-L633 HydrophobicContact CD1-CD1 4.34Å; F618-L633 HydrophobicContact CE1-CB 3.6Å; F618-L633 HydrophobicContact CE1-CD1 4.47Å; F618-L633 HydrophobicContact CG-CB 4.45Å; F618-A634 HydrophobicContact CB-CB 3.97Å; F618-A634 HydrophobicContact CD2-CB 4.18Å; F618-A634 HydrophobicContact CG-CB 4.15Å; F618-A637 HydrophobicContact CD2-CB 4.23Å; F618-A637 HydrophobicContact CE2-CB 3.29Å; F618-A637 HydrophobicContact CZ-CB 3.65Å
619D85.6Confident86Confident18 Ų1857.4 Ų57.410%0.09627%0.273CS..  trans-72.670.3162.6-179.317.3000109.7F615 D621 K622 S623 G624F615-D619 WeakPolarHBondContact O-CB 3.28Å; F615-D619 PolarHBondContact O-N 2.91Å; D619-D621 VanDerWaalsContact C-N 3.27Å; D619-D621 PolarHBondContact O-N 2.76Å; D619-D621 VanDerWaalsContact OD1-OD1 3.04Å; D619-K622 PolarHBondContact O-N 3.24Å; D619-K622 VanDerWaalsContact O-N 3.13Å; D619-K622 WeakPolarHBondContact OD1-CA 3.22Å; D619-K622 PolarHBondContact OD1-N 3.13Å; D619-K622 VanDerWaalsContact OD1-N 3.12Å; D619-K622 WeakPolarHBondContact OD2-CA 3.28Å; D619-S623 PolarHBondContact OD1-N 3.08Å; D619-G624 VanDerWaalsContact OD2-CA 3.31Å; D619-G624 WeakPolarHBondContact OD2-CA 3.32Å; D619-G624 PolarHBondContact OD2-N 2.81Å
620L80.4Confident85.9Confident108 Ų10850.2 Ų50.257%0.56525%0.246SC*.THydrogen-bonded Turntrans-66.7-31.9-169.1-63.6177.1000111.7F618 E630F618-L620 PolarHBondContact O-N 2.91Å; L620-E630 HydrophobicContact CG-CG 4.47Å; L620-E630 PolarHBondContact N-OE1 2.8Å; L620-E630 VanDerWaalsContact N-OE1 3.11Å
621D80.1Confident85.8Confident91 Ų9144.7 Ų44.749%0.48722%0.222SC..THydrogen-bonded Turntrans-87.6-6.3177.977.8-6000113.6D619 S623D619-D621 VanDerWaalsContact C-N 3.27Å; D619-D621 PolarHBondContact O-N 2.76Å; D619-D621 VanDerWaalsContact OD1-OD1 3.04Å; D621-S623 PolarHBondContact O-N 2.88Å; D621-S623 WeakPolarHBondContact OD1-CB 3.13Å; D621-S623 PolarHBondContact OD1-N 3.35Å; D621-S623 PolarHBondContact OD1-OG 2.74Å
622K82.9Confident85.6Confident181 Ų18144.7 Ų44.779%0.78722%0.222SC*.  trans57.833.6-179.3-56-179178.71800112.4D619 G624D619-K622 PolarHBondContact O-N 3.24Å; D619-K622 VanDerWaalsContact O-N 3.13Å; D619-K622 WeakPolarHBondContact OD1-CA 3.22Å; D619-K622 PolarHBondContact OD1-N 3.13Å; D619-K622 VanDerWaalsContact OD1-N 3.12Å; D619-K622 WeakPolarHBondContact OD2-CA 3.28Å; K622-G624 PolarHBondContact O-N 2.92Å
623S84.9Confident85.5Confident48 Ų4845.6 Ų45.634%0.33623%0.227SC..SBendtrans-76.9-12.9178.867.20000112.6D619 D621 A625D619-S623 PolarHBondContact OD1-N 3.08Å; D621-S623 PolarHBondContact O-N 2.88Å; D621-S623 WeakPolarHBondContact OD1-CB 3.13Å; D621-S623 PolarHBondContact OD1-N 3.35Å; D621-S623 PolarHBondContact OD1-OG 2.74Å; S623-A625 PolarHBondContact OG-N 3.38Å; S623-A625 PolarHBondContact OG-O 2.81Å
624G83.4Confident85.5Confident2 Ų241.1 Ų41.12%0.02120%0.2CC..SBendtrans79.15.7-174.600000113.4D570 K572 D619 K622D570-G624 WeakPolarHBondContact O-CA 3.49Å; K572-G624 WeakPolarHBondContact CB-O 3.43Å; K572-G624 PolarHBondContact N-O 3.3Å; D619-G624 VanDerWaalsContact OD2-CA 3.31Å; D619-G624 WeakPolarHBondContact OD2-CA 3.32Å; D619-G624 PolarHBondContact OD2-N 2.81Å; K622-G624 PolarHBondContact O-N 2.92Å
625A86.9Confident85.5Confident4 Ų440.6 Ų40.63%0.03320%0.196CC..SBendtrans-138.3149.9174.600000108.6S623 L659S623-A625 PolarHBondContact OG-N 3.38Å; S623-A625 PolarHBondContact OG-O 2.81Å; A625-L659 HydrophobicContact CB-CB 4.19Å; A625-L659 HydrophobicContact CB-CD2 4.46Å
626M86.8Confident85.5Confident0 Ų043.6 Ų43.60%021%0.21CC..EExtended strand (participates in β ladder)trans-92.5129.8176.9-73.1-170-60.900110.7F615 E630 M631 A634 L659 I660 F665F615-M626 HydrophobicContact CD2-CE 3.22Å; F615-M626 HydrophobicContact CD2-CG 3.96Å; F615-M626 HydrophobicContact CD2-SD 3.78Å; F615-M626 HydrophobicContact CE2-CB 4.38Å; F615-M626 HydrophobicContact CE2-CE 3.47Å; F615-M626 VanDerWaalsContact CE2-CE 3.47Å; F615-M626 HydrophobicContact CE2-CG 3.7Å; F615-M626 HydrophobicContact CE2-SD 4.1Å; F615-M626 HydrophobicContact CG-CE 4.23Å; F615-M626 HydrophobicContact CG-CG 4.49Å; F615-M626 HydrophobicContact CG-SD 4.28Å; F615-M626 HydrophobicContact CZ-CG 4.01Å; M626-E630 HydrophobicContact CB-CB 4.09Å; M626-E630 HydrophobicContact CG-CB 4.14Å; M626-E630 HydrophobicContact SD-CB 4.38Å; M626-M631 HydrophobicContact CE-SD 4.1Å; M626-A634 HydrophobicContact CE-CB 4.34Å; M626-A634 HydrophobicContact SD-CB 3.76Å; M626-L659 CarbonylContact O-C 3.5Å; M626-L659 WeakPolarHBondContact O-CA 3.35Å; M626-I660 HydrophobicContact CB-CB 4.5Å; M626-I660 PolarHBondContact N-O 3.13Å; M626-I660 PolarHBondContact O-N 3.16Å; M626-F665 HydrophobicContact CE-CB 3.77Å; M626-F665 HydrophobicContact CE-CD1 3.83Å; M626-F665 HydrophobicContact CE-CD2 3.1Å; M626-F665 HydrophobicContact CE-CE1 4.09Å; M626-F665 HydrophobicContact CE-CE2 3.41Å; M626-F665 VanDerWaalsContact CE-CE2 3.41Å; M626-F665 HydrophobicContact CE-CG 3.29Å; M626-F665 HydrophobicContact CE-CZ 3.87Å
627S84.6Confident85.5Confident11 Ų1141.4 Ų41.48%0.07721%0.213CC..EExtended strand (participates in β ladder)trans-61.6167.1158.166.70000111.4Y629 E630 M631S627-Y629 VanDerWaalsContact C-N 3.25Å; S627-Y629 PolarHBondContact O-N 3.22Å; S627-Y629 WeakPolarHBondContact OG-CD1 3.04Å; S627-Y629 WeakPolarHBondContact OG-CD2 3.42Å; S627-Y629 WeakPolarHBondContact OG-CE1 3.44Å; S627-Y629 WeakPolarHBondContact OG-CE2 3.48Å; S627-Y629 PolarHBondContact OG-N 2.84Å; S627-E630 WeakPolarHBondContact CB-OE2 3.36Å; S627-E630 PolarHBondContact N-OE2 2.95Å; S627-E630 PolarHBondContact O-N 2.81Å; S627-E630 WeakPolarHBondContact OG-CB 3.48Å; S627-E630 VanDerWaalsContact OG-CG 3.26Å; S627-E630 WeakPolarHBondContact OG-CG 3.42Å; S627-E630 PolarHBondContact OG-N 2.98Å; S627-E630 VanDerWaalsContact OG-N 3.16Å; S627-E630 PolarHBondContact OG-OE2 2.84Å; S627-M631 PolarHBondContact O-N 2.78Å
628S77.2Confident85.4Confident14 Ų1435.8 Ų35.810%0.09819%0.188CC..Hα-helixtrans-61.7-29.9170.860.90000115.4G371 R632G371-S628 WeakPolarHBondContact CA-OG 3.27Å; G371-S628 WeakPolarHBondContact O-CB 3.24Å; G371-S628 PolarHBondContact O-OG 3.04Å; S628-R632 PolarHBondContact O-N 3.08Å
629Y78Confident85.5Confident64 Ų6435 Ų3525%0.25119%0.191SC..Hα-helixtrans-73-36.8-179.965.7-98.9000110.3S627 R632S627-Y629 VanDerWaalsContact C-N 3.25Å; S627-Y629 PolarHBondContact O-N 3.22Å; S627-Y629 WeakPolarHBondContact OG-CD1 3.04Å; S627-Y629 WeakPolarHBondContact OG-CD2 3.42Å; S627-Y629 WeakPolarHBondContact OG-CE1 3.44Å; S627-Y629 WeakPolarHBondContact OG-CE2 3.48Å; S627-Y629 PolarHBondContact OG-N 2.84Å; Y629-R632 PolarHBondContact O-N 2.8Å
630E86.4Confident85.8Confident0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-69.4-40.6174.6-68.8157.9162.100110.3F618 L620 M626 S627 R632 L633 A634F618-E630 VanDerWaalsContact O-CB 3.22Å; F618-E630 WeakPolarHBondContact O-CB 3.18Å; F618-E630 WeakPolarHBondContact O-CG 3.5Å; L620-E630 HydrophobicContact CG-CG 4.47Å; L620-E630 PolarHBondContact N-OE1 2.8Å; L620-E630 VanDerWaalsContact N-OE1 3.11Å; M626-E630 HydrophobicContact CB-CB 4.09Å; M626-E630 HydrophobicContact CG-CB 4.14Å; M626-E630 HydrophobicContact SD-CB 4.38Å; S627-E630 WeakPolarHBondContact CB-OE2 3.36Å; S627-E630 PolarHBondContact N-OE2 2.95Å; S627-E630 PolarHBondContact O-N 2.81Å; S627-E630 WeakPolarHBondContact OG-CB 3.48Å; S627-E630 VanDerWaalsContact OG-CG 3.26Å; S627-E630 WeakPolarHBondContact OG-CG 3.42Å; S627-E630 PolarHBondContact OG-N 2.98Å; S627-E630 VanDerWaalsContact OG-N 3.16Å; S627-E630 PolarHBondContact OG-OE2 2.84Å; E630-R632 VanDerWaalsContact C-N 3.29Å; E630-R632 PolarHBondContact O-N 2.98Å; E630-L633 PolarHBondContact O-N 3.26Å; E630-L633 VanDerWaalsContact O-N 3.14Å; E630-A634 VanDerWaalsContact O-CB 3.25Å; E630-A634 WeakPolarHBondContact O-CB 3.31Å; E630-A634 PolarHBondContact O-N 3.36Å
631M86.8Confident86.2Confident2 Ų234 Ų341%0.0118%0.181CC..Hα-helixtrans-55.5-43.4175.6-176.862.8174.400112.4M626 S627 L633 A634 V635 I660 F665 C668M626-M631 HydrophobicContact CE-SD 4.1Å; S627-M631 PolarHBondContact O-N 2.78Å; M631-L633 VanDerWaalsContact C-N 3.32Å; M631-L633 PolarHBondContact O-N 2.59Å; M631-A634 PolarHBondContact O-N 2.87Å; M631-V635 HydrophobicContact CE-CG2 3.44Å; M631-V635 VanDerWaalsContact CE-CG2 3.44Å; M631-V635 HydrophobicContact CG-CG2 4.08Å; M631-V635 VanDerWaalsContact O-CB 3.32Å; M631-V635 WeakPolarHBondContact O-CB 3.36Å; M631-V635 WeakPolarHBondContact O-CG2 3.34Å; M631-V635 PolarHBondContact O-N 2.88Å; M631-V635 HydrophobicContact SD-CG2 3.73Å; M631-I660 HydrophobicContact CB-CD1 3.66Å; M631-I660 HydrophobicContact CG-CD1 3.51Å; M631-I660 HydrophobicContact SD-CD1 3.96Å; M631-F665 HydrophobicContact CE-CD2 3.81Å; M631-F665 HydrophobicContact CE-CE2 4.2Å; M631-F665 HydrophobicContact SD-CD2 3.42Å; M631-F665 WeakPolarHBondContact SD-CD2 3.43Å; M631-F665 HydrophobicContact SD-CE2 3.67Å; M631-C668 HydrophobicContact CE-CB 3.99Å; M631-C668 WeakPolarHBondContact CE-SG 3.41Å
632R87.4Confident86.6Confident8 Ų829.7 Ų29.73%0.0316%0.158CC..Hα-helixtrans-57.9-46.3178.3-176.6164.4-146.2173.83111.8H450 D516 S628 Y629 E630 E636 N644 H647H450-R632 PolarHBondContact CE1-NH1 2.79Å; H450-R632 VanDerWaalsContact CE1-NH1 3.33Å; D516-R632 IonicContact OD1-NH2 2.98Å; S628-R632 PolarHBondContact O-N 3.08Å; Y629-R632 PolarHBondContact O-N 2.8Å; E630-R632 VanDerWaalsContact C-N 3.29Å; E630-R632 PolarHBondContact O-N 2.98Å; R632-E636 PolarHBondContact O-N 3Å; R632-N644 VanDerWaalsContact CZ-OD1 3.24Å; R632-N644 PolarHBondContact NH1-OD1 3.28Å; R632-N644 PolarHBondContact NH2-OD1 3.25Å; R632-H647 PolarHBondContact NE-CD2 3.19Å
633L87.7Confident86.8Confident41 Ų4123.1 Ų23.122%0.21513%0.131CC..Hα-helixtrans-72.1-38.4179.3-60.6174000112.1W385 F618 E630 M631 E636 A637W385-L633 HydrophobicContact CH2-CD2 3.95Å; W385-L633 HydrophobicContact CH2-CG 4.19Å; F618-L633 HydrophobicContact CD1-CB 3.55Å; F618-L633 HydrophobicContact CD1-CD1 4.34Å; F618-L633 HydrophobicContact CE1-CB 3.6Å; F618-L633 HydrophobicContact CE1-CD1 4.47Å; F618-L633 HydrophobicContact CG-CB 4.45Å; E630-L633 PolarHBondContact O-N 3.26Å; E630-L633 VanDerWaalsContact O-N 3.14Å; M631-L633 VanDerWaalsContact C-N 3.32Å; M631-L633 PolarHBondContact O-N 2.59Å; L633-E636 PolarHBondContact O-N 3.35Å; L633-A637 WeakPolarHBondContact O-CB 3.44Å; L633-A637 PolarHBondContact O-N 2.89Å
634A90.3Very high86.7Confident0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-68.1-38.3-18000000112.2T614 F618 M626 E630 M631 A637 A638 F665T614-A634 HydrophobicContact CG2-CB 4.26Å; F618-A634 HydrophobicContact CB-CB 3.97Å; F618-A634 HydrophobicContact CD2-CB 4.18Å; F618-A634 HydrophobicContact CG-CB 4.15Å; M626-A634 HydrophobicContact CE-CB 4.34Å; M626-A634 HydrophobicContact SD-CB 3.76Å; E630-A634 VanDerWaalsContact O-CB 3.25Å; E630-A634 WeakPolarHBondContact O-CB 3.31Å; E630-A634 PolarHBondContact O-N 3.36Å; M631-A634 PolarHBondContact O-N 2.87Å; A634-A637 PolarHBondContact O-N 2.8Å; A634-A638 VanDerWaalsContact O-CB 3.26Å; A634-A638 WeakPolarHBondContact O-CB 3.28Å; A634-A638 PolarHBondContact O-N 2.75Å; A634-F665 HydrophobicContact CB-CE2 3.96Å; A634-F665 HydrophobicContact CB-CZ 3.96Å
635V90.5Very high86.7Confident0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-65.5-42.1174.6170.60000110.6M631 A638 G639 F640 L642 L669 L672M631-V635 HydrophobicContact CE-CG2 3.44Å; M631-V635 VanDerWaalsContact CE-CG2 3.44Å; M631-V635 HydrophobicContact CG-CG2 4.08Å; M631-V635 VanDerWaalsContact O-CB 3.32Å; M631-V635 WeakPolarHBondContact O-CB 3.36Å; M631-V635 WeakPolarHBondContact O-CG2 3.34Å; M631-V635 PolarHBondContact O-N 2.88Å; M631-V635 HydrophobicContact SD-CG2 3.73Å; V635-A638 WeakPolarHBondContact O-CB 3.34Å; V635-A638 PolarHBondContact O-N 3.08Å; V635-G639 PolarHBondContact O-N 2.81Å; V635-F640 CarbonylContact C-O 3.57Å; V635-F640 HydrophobicContact CG1-CB 3.66Å; V635-F640 HydrophobicContact CG1-CG 4.48Å; V635-F640 PolarHBondContact O-N 2.9Å; V635-L642 HydrophobicContact CG1-CD1 3.77Å; V635-L642 HydrophobicContact CG1-CG 4.27Å; V635-L669 HydrophobicContact CG2-CD2 4.1Å; V635-L672 HydrophobicContact CG1-CD2 4.32Å
636E89.2Confident86.7Confident63 Ų6327.5 Ų27.529%0.29414%0.143SC..Hα-helixtrans-62.1-47.1174.2-171.1175.1174.200111.5K452 R632 L633 A638 G639 F640 K641K452-E636 IonicContact NZ-OE1 3.45Å; K452-E636 IonicContact NZ-OE2 2.69Å; K452-E636 PolarHBondContact NZ-OE2 2.94Å; R632-E636 PolarHBondContact O-N 3Å; L633-E636 PolarHBondContact O-N 3.35Å; E636-A638 PolarHBondContact O-N 3.2Å; E636-G639 PolarHBondContact O-N 3Å; E636-F640 VanDerWaalsContact CA-O 3.25Å; E636-F640 WeakPolarHBondContact CA-O 3.37Å; E636-F640 PolarHBondContact N-O 3.13Å; E636-K641 HydrophobicContact CG-CG 4.45Å
637A88.7Confident86.8Confident51 Ų5128.1 Ų28.142%0.42115%0.146SC..Hα-helixtrans-66.2-24.4175.700000113.7T614 F618 L633 A634 G639T614-A637 HydrophobicContact CG2-CB 3.94Å; F618-A637 HydrophobicContact CD2-CB 4.23Å; F618-A637 HydrophobicContact CE2-CB 3.29Å; F618-A637 HydrophobicContact CZ-CB 3.65Å; L633-A637 WeakPolarHBondContact O-CB 3.44Å; L633-A637 PolarHBondContact O-N 2.89Å; A634-A637 PolarHBondContact O-N 2.8Å; A637-G639 PolarHBondContact O-N 3.18Å
638A89Confident86.8Confident9 Ų929.1 Ų29.17%0.07415%0.149CC..THydrogen-bonded Turntrans-76.6-5.8172.500000113.1A634 V635 E636 F640 L669A634-A638 VanDerWaalsContact O-CB 3.26Å; A634-A638 WeakPolarHBondContact O-CB 3.28Å; A634-A638 PolarHBondContact O-N 2.75Å; V635-A638 WeakPolarHBondContact O-CB 3.34Å; V635-A638 PolarHBondContact O-N 3.08Å; E636-A638 PolarHBondContact O-N 3.2Å; A638-F640 HydrophobicContact CB-CD2 4.13Å; A638-F640 HydrophobicContact CB-CE2 4.38Å; A638-L669 HydrophobicContact CB-CD1 3.8Å; A638-L669 HydrophobicContact CB-CD2 4.03Å
639G88.8Confident87.2Confident21 Ų2130.7 Ų30.722%0.21616%0.156CC..THydrogen-bonded Turntrans106.45176.400000114.6A521 D522 V635 E636 A637A521-G639 CarbonylContact C-O 3.57Å; A521-G639 WeakPolarHBondContact CA-O 3.46Å; D522-G639 PolarHBondContact N-O 2.93Å; D522-G639 WeakPolarHBondContact O-CA 3.18Å; V635-G639 PolarHBondContact O-N 2.81Å; E636-G639 PolarHBondContact O-N 3Å; A637-G639 PolarHBondContact O-N 3.18Å
640F90.9Very high87.8Confident3 Ų328.6 Ų28.61%0.01315%0.149CC..EExtended strand (participates in β ladder)trans-110.9118.1-176.4-57-85.6000111.6A521 F523 V635 E636 A638 L642 L669 L672 E673 F676A521-F640 HydrophobicContact CB-CD1 3.67Å; A521-F640 HydrophobicContact CB-CE1 3.93Å; F523-F640 HydrophobicContact CD1-CZ 4.47Å; F523-F640 AromaticContact CE1-CE1 3.57Å; F523-F640 HydrophobicContact CE1-CE1 3.57Å; F523-F640 AromaticContact CE1-CZ 3.79Å; F523-F640 HydrophobicContact CE1-CZ 3.79Å; F523-F640 HydrophobicContact CZ-CE1 4.19Å; V635-F640 CarbonylContact C-O 3.57Å; V635-F640 HydrophobicContact CG1-CB 3.66Å; V635-F640 HydrophobicContact CG1-CG 4.48Å; V635-F640 PolarHBondContact O-N 2.9Å; E636-F640 VanDerWaalsContact CA-O 3.25Å; E636-F640 WeakPolarHBondContact CA-O 3.37Å; E636-F640 PolarHBondContact N-O 3.13Å; A638-F640 HydrophobicContact CB-CD2 4.13Å; A638-F640 HydrophobicContact CB-CE2 4.38Å; F640-L642 HydrophobicContact CB-CD2 4.46Å; F640-L642 HydrophobicContact CB-CG 4.39Å; F640-L669 HydrophobicContact CD2-CD2 3.95Å; F640-L669 HydrophobicContact CE2-CD2 3.93Å; F640-L672 HydrophobicContact CB-CD2 3.74Å; F640-L672 HydrophobicContact CD1-CD2 3.44Å; F640-L672 VanDerWaalsContact CD1-CD2 3.44Å; F640-L672 HydrophobicContact CD1-CG 3.72Å; F640-L672 HydrophobicContact CD2-CD2 3.88Å; F640-L672 HydrophobicContact CE1-CB 4.26Å; F640-L672 HydrophobicContact CE1-CD2 3.91Å; F640-L672 HydrophobicContact CE1-CG 3.81Å; F640-L672 HydrophobicContact CE2-CD2 4.32Å; F640-L672 HydrophobicContact CG-CD2 3.41Å; F640-L672 VanDerWaalsContact CG-CD2 3.41Å; F640-L672 HydrophobicContact CG-CG 4.21Å; F640-L672 HydrophobicContact CZ-CB 4.43Å; F640-L672 HydrophobicContact CZ-CD2 4.33Å; F640-L672 HydrophobicContact CZ-CG 4.39Å; F640-E673 HydrophobicContact CZ-CB 4.01Å; F640-F676 AromaticContact CD1-CD2 3.94Å; F640-F676 HydrophobicContact CD1-CD2 3.94Å; F640-F676 AromaticContact CD1-CE2 3.82Å; F640-F676 HydrophobicContact CD1-CE2 3.82Å; F640-F676 AromaticContact CE1-CD2 3.95Å; F640-F676 HydrophobicContact CE1-CD2 3.95Å; F640-F676 HydrophobicContact CE1-CE2 4.3Å
641K89.1Confident87.8Confident101 Ų10129.1 Ų29.144%0.43915%0.152SC..EExtended strand (participates in β ladder)trans-97.9124.3167.6-64.6-174.1-178-174.90108.7D517 E518 I519 S520 E636D517-K641 HydrophobicContact CB-CB 4.39Å; E518-K641 WeakPolarHBondContact O-CB 3.44Å; I519-K641 WeakPolarHBondContact CA-O 3.22Å; S520-K641 PolarHBondContact N-O 3.35Å; S520-K641 PolarHBondContact O-N 2.75Å; E636-K641 HydrophobicContact CG-CG 4.45Å
642L89.1Confident87.8Confident1 Ų133.2 Ų33.21%0.00519%0.187CC..  trans-133.3146.2-174.6-53.1177000109.9I519 V635 F640 L646 H647 L650 L672 F676I519-L642 HydrophobicContact CG2-CD2 4.46Å; V635-L642 HydrophobicContact CG1-CD1 3.77Å; V635-L642 HydrophobicContact CG1-CG 4.27Å; F640-L642 HydrophobicContact CB-CD2 4.46Å; F640-L642 HydrophobicContact CB-CG 4.39Å; L642-L646 HydrophobicContact CB-CB 4.02Å; L642-L646 HydrophobicContact CB-CD1 4.34Å; L642-L646 HydrophobicContact CD1-CB 4.41Å; L642-L646 HydrophobicContact CD2-CD1 4.02Å; L642-H647 PolarHBondContact O-CD2 3.49Å; L642-H647 PolarHBondContact O-NE2 2.9Å; L642-L650 HydrophobicContact CD1-CD1 3.5Å; L642-L672 HydrophobicContact CD1-CD1 4.42Å; L642-L672 HydrophobicContact CD1-CD2 3.84Å; L642-L672 HydrophobicContact CD2-CD1 4.26Å; L642-L672 HydrophobicContact CD2-CD2 4.26Å; L642-L672 HydrophobicContact CG-CD2 4.49Å; L642-F676 HydrophobicContact CD2-CE2 4Å; L642-F676 HydrophobicContact CD2-CZ 4.04Å
643N86.4Confident87.8Confident42 Ų4240.8 Ų40.823%0.22522%0.215CC..  trans-70.9165.2174.270.19.6000112.4D516 D517 I519 R645 L646 H647D516-N643 HydrophobicContact CB-CB 4.41Å; D516-N643 WeakPolarHBondContact OD1-CA 3.28Å; D516-N643 WeakPolarHBondContact OD2-CA 3.46Å; D516-N643 WeakPolarHBondContact OD2-CB 3.43Å; D517-N643 PolarHBondContact O-N 2.72Å; I519-N643 HydrophobicContact CG1-CB 4.46Å; N643-R645 PolarHBondContact O-N 3.22Å; N643-R645 PolarHBondContact OD1-N 3.1Å; N643-L646 PolarHBondContact O-N 3.33Å; N643-L646 VanDerWaalsContact O-N 3.12Å; N643-L646 WeakPolarHBondContact OD1-CB 3.41Å; N643-L646 WeakPolarHBondContact OD1-CG 3.48Å; N643-L646 PolarHBondContact OD1-N 3.49Å; N643-H647 PolarHBondContact O-CD2 2.72Å; N643-H647 PolarHBondContact O-N 3.05Å
644N83.6Confident87.8Confident4 Ų439.8 Ų39.82%0.02121%0.209CC..Hα-helixtrans-50.2-42.3177.9-74.8-53.3000112T373 D516 R632 L646 H647 Q648T373-N644 HydrophobicContact CG2-CB 4.19Å; D516-N644 VanDerWaalsContact CG-N 3.3Å; D516-N644 PolarHBondContact OD1-N 2.99Å; D516-N644 VanDerWaalsContact OD1-N 3.11Å; D516-N644 PolarHBondContact OD1-ND2 2.85Å; D516-N644 VanDerWaalsContact OD2-CB 3.23Å; D516-N644 WeakPolarHBondContact OD2-CB 3.31Å; D516-N644 VanDerWaalsContact OD2-CG 3.27Å; D516-N644 PolarHBondContact OD2-N 2.91Å; D516-N644 PolarHBondContact OD2-ND2 2.98Å; R632-N644 VanDerWaalsContact CZ-OD1 3.24Å; R632-N644 PolarHBondContact NH1-OD1 3.28Å; R632-N644 PolarHBondContact NH2-OD1 3.25Å; N644-L646 PolarHBondContact O-N 3.1Å; N644-H647 PolarHBondContact O-N 3.39Å; N644-Q648 VanDerWaalsContact O-CG 3.32Å; N644-Q648 WeakPolarHBondContact O-CG 3.38Å; N644-Q648 PolarHBondContact O-N 2.93Å
645R83.2Confident87.6Confident90 Ų9040.9 Ų40.934%0.3422%0.218SC..Hα-helixtrans-63-43-178.7-172.5174-178.8164.43.9112.1S10 N14 N643 Q648 I649S10-R645 PolarHBondContact OG-NH2 2.64Å; N14-R645 PolarHBondContact ND2-NH1 3.22Å; N14-R645 VanDerWaalsContact ND2-NH1 3.2Å; N643-R645 PolarHBondContact O-N 3.22Å; N643-R645 PolarHBondContact OD1-N 3.1Å; R645-Q648 PolarHBondContact O-N 2.94Å; R645-I649 HydrophobicContact CG-CD1 4.4Å; R645-I649 WeakPolarHBondContact O-CG1 3.5Å; R645-I649 PolarHBondContact O-N 3.42Å; R645-I649 VanDerWaalsContact O-N 3.16Å
646L88Confident87.3Confident53 Ų5347.6 Ų47.628%0.27725%0.249SC..Hα-helixtrans-68.1-42.4175.9-74.9174.4000111.1I519 L642 N643 N644 Q648 I649 L650I519-L646 HydrophobicContact CD1-CD1 3.66Å; I519-L646 HydrophobicContact CG1-CD1 3.92Å; I519-L646 HydrophobicContact CG2-CD1 4.24Å; L642-L646 HydrophobicContact CB-CB 4.02Å; L642-L646 HydrophobicContact CB-CD1 4.34Å; L642-L646 HydrophobicContact CD1-CB 4.41Å; L642-L646 HydrophobicContact CD2-CD1 4.02Å; N643-L646 PolarHBondContact O-N 3.33Å; N643-L646 VanDerWaalsContact O-N 3.12Å; N643-L646 WeakPolarHBondContact OD1-CB 3.41Å; N643-L646 WeakPolarHBondContact OD1-CG 3.48Å; N643-L646 PolarHBondContact OD1-N 3.49Å; N644-L646 PolarHBondContact O-N 3.1Å; L646-Q648 VanDerWaalsContact C-N 3.31Å; L646-Q648 PolarHBondContact O-N 2.93Å; L646-I649 HydrophobicContact CD2-CD1 4.44Å; L646-I649 PolarHBondContact O-N 2.94Å; L646-I649 VanDerWaalsContact O-N 3.08Å; L646-L650 WeakPolarHBondContact O-CG 3.24Å; L646-L650 PolarHBondContact O-N 3.43Å
647H86.9Confident86.8Confident12 Ų1252 Ų526%0.05628%0.275CS..Hα-helixtrans-57.6-42.2174-78.6-62000112.7R632 L642 N643 N644 I649 L650 V651R632-H647 PolarHBondContact NE-CD2 3.19Å; L642-H647 PolarHBondContact O-CD2 3.49Å; L642-H647 PolarHBondContact O-NE2 2.9Å; N643-H647 PolarHBondContact O-CD2 2.72Å; N643-H647 PolarHBondContact O-N 3.05Å; N644-H647 PolarHBondContact O-N 3.39Å; H647-I649 VanDerWaalsContact C-N 3.34Å; H647-I649 PolarHBondContact O-N 3.35Å; H647-L650 PolarHBondContact O-N 2.9Å; H647-V651 WeakPolarHBondContact O-CG2 3.29Å; H647-V651 PolarHBondContact O-N 3.15Å
648Q85.1Confident86.2Confident32 Ų3253.2 Ų53.215%0.1527%0.272CS..Hα-helixtrans-58.8-44.1174-71.7175.18.500111.9T367 R369 T373 N644 R645 L646 A652T367-Q648 PolarHBondContact O-NE2 3.13Å; T367-Q648 VanDerWaalsContact O-NE2 3.17Å; R369-Q648 HydrophobicContact CB-CG 4.13Å; R369-Q648 HydrophobicContact CG-CB 4.44Å; R369-Q648 HydrophobicContact CG-CG 4.04Å; T373-Q648 HydrophobicContact CG2-CG 4.04Å; T373-Q648 PolarHBondContact OG1-NE2 3.2Å; N644-Q648 VanDerWaalsContact O-CG 3.32Å; N644-Q648 WeakPolarHBondContact O-CG 3.38Å; N644-Q648 PolarHBondContact O-N 2.93Å; R645-Q648 PolarHBondContact O-N 2.94Å; L646-Q648 VanDerWaalsContact C-N 3.31Å; L646-Q648 PolarHBondContact O-N 2.93Å; Q648-A652 VanDerWaalsContact O-CB 3.25Å; Q648-A652 WeakPolarHBondContact O-CB 3.17Å; Q648-A652 PolarHBondContact O-N 3.29Å
649I86.8Confident86Confident48 Ų4855.7 Ų55.725%0.24628%0.283CS..Hα-helixtrans-64.8-42.7178.6-67.9162.6000111I7 R645 L646 H647 A652 R653I7-I649 HydrophobicContact CD1-CD1 3.79Å; I7-I649 HydrophobicContact CD1-CG1 3.99Å; I7-I649 HydrophobicContact CD1-CG2 4.15Å; I7-I649 HydrophobicContact CG1-CD1 4.42Å; R645-I649 HydrophobicContact CG-CD1 4.4Å; R645-I649 WeakPolarHBondContact O-CG1 3.5Å; R645-I649 PolarHBondContact O-N 3.42Å; R645-I649 VanDerWaalsContact O-N 3.16Å; L646-I649 HydrophobicContact CD2-CD1 4.44Å; L646-I649 PolarHBondContact O-N 2.94Å; L646-I649 VanDerWaalsContact O-N 3.08Å; H647-I649 VanDerWaalsContact C-N 3.34Å; H647-I649 PolarHBondContact O-N 3.35Å; I649-A652 PolarHBondContact O-N 3.48Å; I649-R653 VanDerWaalsContact O-CB 3.3Å; I649-R653 WeakPolarHBondContact O-CB 3.24Å; I649-R653 PolarHBondContact O-N 2.55Å
650L89.4Confident86.1Confident19 Ų1954.7 Ų54.710%0.09927%0.273CS..Hα-helixtrans-62-48.4178.8-66.3-172.6000111L642 L646 H647 R653 Y654L642-L650 HydrophobicContact CD1-CD1 3.5Å; L646-L650 WeakPolarHBondContact O-CG 3.24Å; L646-L650 PolarHBondContact O-N 3.43Å; H647-L650 PolarHBondContact O-N 2.9Å; L650-R653 PolarHBondContact O-N 3.06Å; L650-Y654 HydrophobicContact CD2-CD2 4.29Å; L650-Y654 HydrophobicContact CD2-CE2 4.04Å; L650-Y654 WeakPolarHBondContact O-CB 3.39Å; L650-Y654 WeakPolarHBondContact O-CD2 3.43Å; L650-Y654 PolarHBondContact O-N 2.91Å
651V87.3Confident86.1Confident11 Ų1155.9 Ų55.97%0.06728%0.279CS..Hα-helixtrans-61.5-49.4176.3173.60000110.5G371 H647 R653 Y654 A655G371-V651 WeakPolarHBondContact O-CG1 3.3Å; G371-V651 WeakPolarHBondContact O-CG2 3.14Å; H647-V651 WeakPolarHBondContact O-CG2 3.29Å; H647-V651 PolarHBondContact O-N 3.15Å; V651-R653 PolarHBondContact O-N 2.86Å; V651-R653 VanDerWaalsContact O-N 3.09Å; V651-Y654 PolarHBondContact O-N 2.89Å; V651-A655 HydrophobicContact CG1-CB 3.78Å; V651-A655 WeakPolarHBondContact O-CB 3.48Å; V651-A655 PolarHBondContact O-N 2.8Å
652A85.3Confident86.2Confident88 Ų8851.2 Ų51.273%0.72726%0.259SS*.Hα-helixtrans-60.3-25.3-177.400000113.3Q648 I649Q648-A652 VanDerWaalsContact O-CB 3.25Å; Q648-A652 WeakPolarHBondContact O-CB 3.17Å; Q648-A652 PolarHBondContact O-N 3.29Å; I649-A652 PolarHBondContact O-N 3.48Å
653R87.4Confident86.3Confident168 Ų16851.6 Ų51.663%0.63426%0.261SS*.Hα-helixtrans-94.4-38.2-178.6-172.3169.2-170143.85.6113.9I649 L650 V651I649-R653 VanDerWaalsContact O-CB 3.3Å; I649-R653 WeakPolarHBondContact O-CB 3.24Å; I649-R653 PolarHBondContact O-N 2.55Å; L650-R653 PolarHBondContact O-N 3.06Å; V651-R653 PolarHBondContact O-N 2.86Å; V651-R653 VanDerWaalsContact O-N 3.09Å
654Y88.7Confident86.5Confident20 Ų2051.4 Ų51.48%0.07826%0.26CS..Hα-helixtrans-111.6-11.4-168.7-65.8-73.7000113.9L650 V651 N664 C667 C668 K671L650-Y654 HydrophobicContact CD2-CD2 4.29Å; L650-Y654 HydrophobicContact CD2-CE2 4.04Å; L650-Y654 WeakPolarHBondContact O-CB 3.39Å; L650-Y654 WeakPolarHBondContact O-CD2 3.43Å; L650-Y654 PolarHBondContact O-N 2.91Å; V651-Y654 PolarHBondContact O-N 2.89Å; Y654-N664 HydrophobicContact CD1-CB 4.38Å; Y654-N664 WeakPolarHBondContact O-CB 3.49Å; Y654-C667 HydrophobicContact CE1-CB 4.32Å; Y654-C668 HydrophobicContact CD1-CB 4.11Å; Y654-C668 HydrophobicContact CD2-CB 3.72Å; Y654-C668 HydrophobicContact CE1-CB 4.13Å; Y654-C668 HydrophobicContact CE2-CB 3.74Å; Y654-C668 HydrophobicContact CG-CB 3.9Å; Y654-K671 WeakPolarHBondContact OH-CD 3.5Å
655A87.2Confident86.9Confident23 Ų2351.2 Ų51.219%0.1926%0.259CS..  trans-91.9133176.600000111.3V651 L659 I660V651-A655 HydrophobicContact CG1-CB 3.78Å; V651-A655 WeakPolarHBondContact O-CB 3.48Å; V651-A655 PolarHBondContact O-N 2.8Å; A655-L659 CarbonylContact C-O 3.55Å; A655-L659 WeakPolarHBondContact CA-O 3.43Å; A655-I660 HydrophobicContact CB-CD1 4.19Å; A655-I660 HydrophobicContact CB-CG1 3.57Å
656E83.1Confident87.3Confident140 Ų14047 Ų4765%0.65424%0.243SC*.BIsolated β-bridgetrans-109.5122.5168.2-69.7-171.3-179.100109.4E658 L659E656-E658 PolarHBondContact O-N 3.33Å; E656-L659 PolarHBondContact N-O 2.83Å; E656-L659 PolarHBondContact O-N 2.91Å; E656-L659 VanDerWaalsContact O-O 3.09Å
657N78.8Confident87.3Confident156 Ų15645 Ų4583%0.83423%0.234SC*.THydrogen-bonded Turntrans51.140.9-175-56.8-53.6000113.1L659N657-L659 PolarHBondContact O-N 3.31Å
658E75Confident87.5Confident76 Ų7644.4 Ų44.436%0.35523%0.231SC..THydrogen-bonded Turntrans68.68.9-178-53170-136.200115.5R370 E656R370-E658 HydrophobicContact CG-CG 4.45Å; R370-E658 IonicContact CZ-OE1 3.6Å; R370-E658 IonicContact NE-OE1 2.65Å; R370-E658 PolarHBondContact NE-OE1 3.04Å; R370-E658 IonicContact NH2-OE1 2.77Å; R370-E658 PolarHBondContact NH2-OE1 2.91Å; E656-E658 PolarHBondContact O-N 3.33Å
659L86.1Confident87.8Confident62 Ų6242.9 Ų42.933%0.32522%0.224SC..EExtended strand (participates in β ladder)trans-116.8138.6176.4-64.3174.2000110.4A625 M626 A655 E656 N657A625-L659 HydrophobicContact CB-CB 4.19Å; A625-L659 HydrophobicContact CB-CD2 4.46Å; M626-L659 CarbonylContact O-C 3.5Å; M626-L659 WeakPolarHBondContact O-CA 3.35Å; A655-L659 CarbonylContact C-O 3.55Å; A655-L659 WeakPolarHBondContact CA-O 3.43Å; E656-L659 PolarHBondContact N-O 2.83Å; E656-L659 PolarHBondContact O-N 2.91Å; E656-L659 VanDerWaalsContact O-O 3.09Å; N657-L659 PolarHBondContact O-N 3.31Å
660I89.9Confident87.9Confident0 Ų040.6 Ų40.60%021%0.212CC..EExtended strand (participates in β ladder)trans-112.3113.8178-61.9164.7000106.2M626 M631 A655 N664 F665M626-I660 HydrophobicContact CB-CB 4.5Å; M626-I660 PolarHBondContact N-O 3.13Å; M626-I660 PolarHBondContact O-N 3.16Å; M631-I660 HydrophobicContact CB-CD1 3.66Å; M631-I660 HydrophobicContact CG-CD1 3.51Å; M631-I660 HydrophobicContact SD-CD1 3.96Å; A655-I660 HydrophobicContact CB-CD1 4.19Å; A655-I660 HydrophobicContact CB-CG1 3.57Å; I660-N664 HydrophobicContact CG2-CB 4.06Å; I660-F665 HydrophobicContact CG2-CB 4.06Å
661D90.9Very high87.8Confident27 Ų2742.3 Ų42.314%0.14422%0.219CC..  trans-77.8174.7175.683-30.6000111.6K572 T573 D663 N664 F665K572-D661 WeakPolarHBondContact O-CB 3.02Å; T573-D661 VanDerWaalsContact CB-OD2 3.28Å; T573-D661 WeakPolarHBondContact CB-OD2 3.4Å; T573-D661 PolarHBondContact OG1-OD2 3.38Å; D661-D663 VanDerWaalsContact C-N 3.32Å; D661-D663 PolarHBondContact O-N 2.94Å; D661-N664 PolarHBondContact O-N 2.88Å; D661-N664 VanDerWaalsContact OD1-CB 3.26Å; D661-N664 WeakPolarHBondContact OD1-CB 2.98Å; D661-N664 PolarHBondContact OD1-N 3.46Å; D661-N664 PolarHBondContact OD1-ND2 2.96Å; D661-F665 WeakPolarHBondContact O-CB 3.12Å; D661-F665 PolarHBondContact O-N 2.88Å
662F91.1Very high88Confident3 Ų342.7 Ų42.71%0.01322%0.22CC..Hα-helixtrans-64-35.7-176.8-174.2-115.7000113V565 L571 T573 F576 I608 L612 F615 I666V565-F662 HydrophobicContact CG2-CD1 4.29Å; V565-F662 HydrophobicContact CG2-CE1 4.37Å; L571-F662 HydrophobicContact CD1-CB 4.36Å; L571-F662 HydrophobicContact CD1-CD1 3.94Å; L571-F662 HydrophobicContact CD1-CE1 4.44Å; L571-F662 HydrophobicContact CD1-CG 4.06Å; L571-F662 HydrophobicContact CD2-CB 4.45Å; T573-F662 HydrophobicContact CG2-CB 4.5Å; F576-F662 HydrophobicContact CE2-CD1 4.2Å; F576-F662 HydrophobicContact CE2-CE1 4.01Å; F576-F662 AromaticContact CZ-CD1 3.83Å; F576-F662 HydrophobicContact CZ-CD1 3.83Å; F576-F662 AromaticContact CZ-CE1 3.55Å; F576-F662 HydrophobicContact CZ-CE1 3.55Å; F576-F662 HydrophobicContact CZ-CZ 4.49Å; I608-F662 HydrophobicContact CG2-CZ 4.35Å; L612-F662 HydrophobicContact CB-CE2 4Å; L612-F662 HydrophobicContact CB-CZ 3.8Å; L612-F662 HydrophobicContact CD1-CD2 4.22Å; L612-F662 HydrophobicContact CD1-CE1 4.26Å; L612-F662 HydrophobicContact CD1-CE2 3.68Å; L612-F662 HydrophobicContact CD1-CZ 3.71Å; L612-F662 HydrophobicContact CG-CE2 4.45Å; L612-F662 HydrophobicContact CG-CZ 4.28Å; F615-F662 HydrophobicContact CB-CD2 4.12Å; F615-F662 HydrophobicContact CB-CE2 4.2Å; F615-F662 HydrophobicContact CD1-CD2 4.26Å; F615-F662 AromaticContact CD2-CD2 3.73Å; F615-F662 HydrophobicContact CD2-CD2 3.73Å; F615-F662 HydrophobicContact CE2-CB 4.19Å; F615-F662 HydrophobicContact CE2-CD2 4.17Å; F615-F662 AromaticContact CG-CD2 3.78Å; F615-F662 HydrophobicContact CG-CD2 3.78Å; F615-F662 HydrophobicContact CG-CE2 4.36Å; F615-F662 HydrophobicContact CZ-CB 4.22Å; F662-I666 HydrophobicContact CD1-CG1 4.46Å; F662-I666 HydrophobicContact CD2-CG1 4.18Å; F662-I666 HydrophobicContact CE1-CG1 4.06Å; F662-I666 HydrophobicContact CE2-CD1 3.68Å; F662-I666 HydrophobicContact CE2-CG1 3.71Å; F662-I666 HydrophobicContact CZ-CD1 3.69Å; F662-I666 HydrophobicContact CZ-CG1 3.64Å; F662-I666 VanDerWaalsContact O-CG1 3.29Å; F662-I666 WeakPolarHBondContact O-CG1 3.45Å; F662-I666 PolarHBondContact O-N 3.36Å; F662-I666 VanDerWaalsContact O-N 3.13Å
663D91.3Very high88.1Confident10 Ų1038.6 Ų38.65%0.05319%0.186CC..Hα-helixtrans-62.2-54.1177.1-178.522.5000111F576 S577 S580 D661 F665 I666 C667F576-D663 HydrophobicContact CD1-CB 4.29Å; F576-D663 WeakPolarHBondContact CD1-OD1 3.43Å; S577-D663 WeakPolarHBondContact CB-OD2 3.36Å; S577-D663 PolarHBondContact N-OD2 3.46Å; S580-D663 WeakPolarHBondContact CB-OD1 3.41Å; S580-D663 VanDerWaalsContact OG-CG 3.26Å; S580-D663 PolarHBondContact OG-OD1 3.15Å; S580-D663 PolarHBondContact OG-OD2 3.3Å; D661-D663 VanDerWaalsContact C-N 3.32Å; D661-D663 PolarHBondContact O-N 2.94Å; D663-F665 VanDerWaalsContact C-N 3.29Å; D663-F665 PolarHBondContact O-N 3.11Å; D663-I666 PolarHBondContact O-N 3.35Å; D663-C667 WeakPolarHBondContact O-CB 3.36Å; D663-C667 PolarHBondContact O-N 3Å
664N91.2Very high87.9Confident38 Ų3831 Ų3120%0.20316%0.159CC..Hα-helixtrans-63.1-35.5-179.3-76.2-58.4000112.4Y654 I660 D661 C668Y654-N664 HydrophobicContact CD1-CB 4.38Å; Y654-N664 WeakPolarHBondContact O-CB 3.49Å; I660-N664 HydrophobicContact CG2-CB 4.06Å; D661-N664 PolarHBondContact O-N 2.88Å; D661-N664 VanDerWaalsContact OD1-CB 3.26Å; D661-N664 WeakPolarHBondContact OD1-CB 2.98Å; D661-N664 PolarHBondContact OD1-N 3.46Å; D661-N664 PolarHBondContact OD1-ND2 2.96Å; N664-C668 VanDerWaalsContact O-CB 3.22Å; N664-C668 WeakPolarHBondContact O-CB 3.29Å; N664-C668 PolarHBondContact O-N 2.97Å
665F91.9Very high87.9Confident0 Ų035.8 Ų35.80%018%0.184CC..Hα-helixtrans-60.7-51174.4177.2-120.5000112.5W611 F615 M626 M631 A634 I660 D661 D663 C668 L669W611-F665 HydrophobicContact CB-CE1 4.17Å; F615-F665 HydrophobicContact CB-CD1 4.19Å; F615-F665 HydrophobicContact CB-CE1 4.05Å; F615-F665 HydrophobicContact CD2-CB 4.04Å; F615-F665 AromaticContact CD2-CD1 3.61Å; F615-F665 HydrophobicContact CD2-CD1 3.61Å; F615-F665 HydrophobicContact CD2-CE1 4.18Å; F615-F665 AromaticContact CD2-CG 3.93Å; F615-F665 HydrophobicContact CD2-CG 3.93Å; F615-F665 HydrophobicContact CE2-CB 4.15Å; F615-F665 HydrophobicContact CE2-CG 4.48Å; F615-F665 HydrophobicContact CG-CD1 4.39Å; M626-F665 HydrophobicContact CE-CB 3.77Å; M626-F665 HydrophobicContact CE-CD1 3.83Å; M626-F665 HydrophobicContact CE-CD2 3.1Å; M626-F665 HydrophobicContact CE-CE1 4.09Å; M626-F665 HydrophobicContact CE-CE2 3.41Å; M626-F665 VanDerWaalsContact CE-CE2 3.41Å; M626-F665 HydrophobicContact CE-CG 3.29Å; M626-F665 HydrophobicContact CE-CZ 3.87Å; M631-F665 HydrophobicContact CE-CD2 3.81Å; M631-F665 HydrophobicContact CE-CE2 4.2Å; M631-F665 HydrophobicContact SD-CD2 3.42Å; M631-F665 WeakPolarHBondContact SD-CD2 3.43Å; M631-F665 HydrophobicContact SD-CE2 3.67Å; A634-F665 HydrophobicContact CB-CE2 3.96Å; A634-F665 HydrophobicContact CB-CZ 3.96Å; I660-F665 HydrophobicContact CG2-CB 4.06Å; D661-F665 WeakPolarHBondContact O-CB 3.12Å; D661-F665 PolarHBondContact O-N 2.88Å; D663-F665 VanDerWaalsContact C-N 3.29Å; D663-F665 PolarHBondContact O-N 3.11Å; F665-C668 WeakPolarHBondContact O-CB 3.48Å; F665-C668 PolarHBondContact O-N 2.96Å; F665-L669 HydrophobicContact CD1-CD1 4.31Å; F665-L669 HydrophobicContact CD2-CD1 4.36Å; F665-L669 HydrophobicContact CD2-CG 4.35Å; F665-L669 HydrophobicContact CE1-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD1 3.75Å; F665-L669 HydrophobicContact CE2-CD2 4.33Å; F665-L669 HydrophobicContact CE2-CG 4.02Å; F665-L669 HydrophobicContact CZ-CD1 3.4Å; F665-L669 VanDerWaalsContact CZ-CD1 3.4Å; F665-L669 HydrophobicContact CZ-CG 4.18Å; F665-L669 PolarHBondContact O-N 3.48Å
666I91Very high88Confident0 Ų036.3 Ų36.30%018%0.182CC..Hα-helixtrans-66-44.1-179.6-61.3-69.2000109.9F576 M584 I608 W611 F662 D663 C668 L669 V670F576-I666 HydrophobicContact CE1-CB 3.98Å; F576-I666 HydrophobicContact CE1-CG1 4.19Å; F576-I666 HydrophobicContact CE1-CG2 4.16Å; F576-I666 HydrophobicContact CZ-CG1 4.24Å; M584-I666 HydrophobicContact CE-CB 4.37Å; M584-I666 HydrophobicContact CE-CG2 3.55Å; M584-I666 HydrophobicContact SD-CG2 4.45Å; I608-I666 HydrophobicContact CG1-CG2 4.28Å; W611-I666 HydrophobicContact CB-CD1 3.46Å; W611-I666 VanDerWaalsContact CB-CD1 3.46Å; W611-I666 HydrophobicContact CD2-CD1 4.33Å; W611-I666 HydrophobicContact CE3-CD1 3.79Å; W611-I666 HydrophobicContact CE3-CG2 4.18Å; W611-I666 HydrophobicContact CG-CD1 4.28Å; W611-I666 HydrophobicContact CZ3-CG2 4.32Å; F662-I666 HydrophobicContact CD1-CG1 4.46Å; F662-I666 HydrophobicContact CD2-CG1 4.18Å; F662-I666 HydrophobicContact CE1-CG1 4.06Å; F662-I666 HydrophobicContact CE2-CD1 3.68Å; F662-I666 HydrophobicContact CE2-CG1 3.71Å; F662-I666 HydrophobicContact CZ-CD1 3.69Å; F662-I666 HydrophobicContact CZ-CG1 3.64Å; F662-I666 VanDerWaalsContact O-CG1 3.29Å; F662-I666 WeakPolarHBondContact O-CG1 3.45Å; F662-I666 PolarHBondContact O-N 3.36Å; F662-I666 VanDerWaalsContact O-N 3.13Å; D663-I666 PolarHBondContact O-N 3.35Å; I666-C668 PolarHBondContact O-N 3.01Å; I666-L669 PolarHBondContact O-N 3.42Å; I666-V670 HydrophobicContact CG2-CG2 4.03Å; I666-V670 WeakPolarHBondContact O-CB 3.31Å; I666-V670 WeakPolarHBondContact O-CG2 3.49Å; I666-V670 PolarHBondContact O-N 3Å
667C89.4Confident88.1Confident11 Ų1131.9 Ų31.97%0.07416%0.159CC..Hα-helixtrans-56.6-41176.4-171.40000111.7Y654 D663 K671Y654-C667 HydrophobicContact CE1-CB 4.32Å; D663-C667 WeakPolarHBondContact O-CB 3.36Å; D663-C667 PolarHBondContact O-N 3Å; C667-K671 WeakPolarHBondContact O-CB 3.41Å; C667-K671 PolarHBondContact O-N 3.18Å; C667-K671 VanDerWaalsContact O-N 3.07Å
668C91.6Very high88.4Confident1 Ų126.3 Ų26.31%0.00713%0.132CC..Hα-helixtrans-61.1-51.71761780000112.1M631 Y654 N664 F665 I666 K671 L672M631-C668 HydrophobicContact CE-CB 3.99Å; M631-C668 WeakPolarHBondContact CE-SG 3.41Å; Y654-C668 HydrophobicContact CD1-CB 4.11Å; Y654-C668 HydrophobicContact CD2-CB 3.72Å; Y654-C668 HydrophobicContact CE1-CB 4.13Å; Y654-C668 HydrophobicContact CE2-CB 3.74Å; Y654-C668 HydrophobicContact CG-CB 3.9Å; N664-C668 VanDerWaalsContact O-CB 3.22Å; N664-C668 WeakPolarHBondContact O-CB 3.29Å; N664-C668 PolarHBondContact O-N 2.97Å; F665-C668 WeakPolarHBondContact O-CB 3.48Å; F665-C668 PolarHBondContact O-N 2.96Å; I666-C668 PolarHBondContact O-N 3.01Å; C668-K671 PolarHBondContact O-N 3.09Å; C668-L672 WeakPolarHBondContact O-CB 3.03Å; C668-L672 PolarHBondContact O-N 2.89Å
669L91.3Very high89.1Confident0 Ų027.1 Ų27.10%014%0.135CC..Hα-helixtrans-66-41.2-177.4-67.5-175.3000112.8W611 V635 A638 F640 F665 I666 K671 L672 E673W611-L669 HydrophobicContact CB-CD1 4.18Å; W611-L669 HydrophobicContact CD2-CB 4.22Å; W611-L669 HydrophobicContact CD2-CD1 3.74Å; W611-L669 HydrophobicContact CE3-CB 4.37Å; W611-L669 HydrophobicContact CE3-CD1 4.48Å; W611-L669 HydrophobicContact CG-CD1 3.59Å; W611-L669 HydrophobicContact CH2-CB 4.09Å; W611-L669 HydrophobicContact CZ2-CB 3.94Å; W611-L669 HydrophobicContact CZ3-CB 4.32Å; V635-L669 HydrophobicContact CG2-CD2 4.1Å; A638-L669 HydrophobicContact CB-CD1 3.8Å; A638-L669 HydrophobicContact CB-CD2 4.03Å; F640-L669 HydrophobicContact CD2-CD2 3.95Å; F640-L669 HydrophobicContact CE2-CD2 3.93Å; F665-L669 HydrophobicContact CD1-CD1 4.31Å; F665-L669 HydrophobicContact CD2-CD1 4.36Å; F665-L669 HydrophobicContact CD2-CG 4.35Å; F665-L669 HydrophobicContact CE1-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD1 3.75Å; F665-L669 HydrophobicContact CE2-CD2 4.33Å; F665-L669 HydrophobicContact CE2-CG 4.02Å; F665-L669 HydrophobicContact CZ-CD1 3.4Å; F665-L669 VanDerWaalsContact CZ-CD1 3.4Å; F665-L669 HydrophobicContact CZ-CG 4.18Å; F665-L669 PolarHBondContact O-N 3.48Å; I666-L669 PolarHBondContact O-N 3.42Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 3.37Å; L669-L672 PolarHBondContact O-N 3.1Å; L669-E673 WeakPolarHBondContact O-CB 3.25Å; L669-E673 PolarHBondContact O-N 2.68Å
670V88.2Confident89.1Confident0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-58.2-48.8174.5169.70000110.1T583 M584 L587 W611 I666 L672 E673 A674T583-V670 HydrophobicContact CG2-CG1 3.9Å; M584-V670 HydrophobicContact CG-CG1 4.18Å; M584-V670 HydrophobicContact CG-CG2 3.91Å; L587-V670 HydrophobicContact CB-CG1 3.8Å; L587-V670 HydrophobicContact CD2-CB 4.11Å; L587-V670 HydrophobicContact CD2-CG1 3.53Å; L587-V670 HydrophobicContact CD2-CG2 4.44Å; L587-V670 HydrophobicContact CG-CG1 4.27Å; W611-V670 HydrophobicContact CH2-CG2 3.92Å; W611-V670 HydrophobicContact CZ3-CG2 3.5Å; I666-V670 HydrophobicContact CG2-CG2 4.03Å; I666-V670 WeakPolarHBondContact O-CB 3.31Å; I666-V670 WeakPolarHBondContact O-CG2 3.49Å; I666-V670 PolarHBondContact O-N 3Å; V670-L672 VanDerWaalsContact C-N 3.34Å; V670-L672 PolarHBondContact O-N 2.94Å; V670-E673 PolarHBondContact O-N 2.93Å; V670-A674 PolarHBondContact O-N 3.2Å
671K87.8Confident88.9Confident54 Ų5435.7 Ų35.724%0.23517%0.173CC..Hα-helixtrans-65.1-40.4-179.9-169.8164.3-167.2146.70112.1T583 Y654 C667 C668 L669 A674 M675T583-K671 HydrophobicContact CG2-CB 4.16Å; Y654-K671 WeakPolarHBondContact OH-CD 3.5Å; C667-K671 WeakPolarHBondContact O-CB 3.41Å; C667-K671 PolarHBondContact O-N 3.18Å; C667-K671 VanDerWaalsContact O-N 3.07Å; C668-K671 PolarHBondContact O-N 3.09Å; L669-K671 VanDerWaalsContact C-N 3.34Å; L669-K671 PolarHBondContact O-N 3.37Å; K671-A674 PolarHBondContact O-N 3.07Å; K671-M675 HydrophobicContact CG-SD 4.33Å; K671-M675 VanDerWaalsContact O-CG 3.29Å; K671-M675 WeakPolarHBondContact O-CG 3.5Å; K671-M675 PolarHBondContact O-N 2.9Å
672L90Very high88.7Confident19 Ų1938.1 Ų38.110%0.09919%0.186CC..Hα-helixtrans-62.4-47.1177.7-16864.2000110.6V635 F640 L642 C668 L669 V670 A674 M675 F676V635-L672 HydrophobicContact CG1-CD2 4.32Å; F640-L672 HydrophobicContact CB-CD2 3.74Å; F640-L672 HydrophobicContact CD1-CD2 3.44Å; F640-L672 VanDerWaalsContact CD1-CD2 3.44Å; F640-L672 HydrophobicContact CD1-CG 3.72Å; F640-L672 HydrophobicContact CD2-CD2 3.88Å; F640-L672 HydrophobicContact CE1-CB 4.26Å; F640-L672 HydrophobicContact CE1-CD2 3.91Å; F640-L672 HydrophobicContact CE1-CG 3.81Å; F640-L672 HydrophobicContact CE2-CD2 4.32Å; F640-L672 HydrophobicContact CG-CD2 3.41Å; F640-L672 VanDerWaalsContact CG-CD2 3.41Å; F640-L672 HydrophobicContact CG-CG 4.21Å; F640-L672 HydrophobicContact CZ-CB 4.43Å; F640-L672 HydrophobicContact CZ-CD2 4.33Å; F640-L672 HydrophobicContact CZ-CG 4.39Å; L642-L672 HydrophobicContact CD1-CD1 4.42Å; L642-L672 HydrophobicContact CD1-CD2 3.84Å; L642-L672 HydrophobicContact CD2-CD1 4.26Å; L642-L672 HydrophobicContact CD2-CD2 4.26Å; L642-L672 HydrophobicContact CG-CD2 4.49Å; C668-L672 WeakPolarHBondContact O-CB 3.03Å; C668-L672 PolarHBondContact O-N 2.89Å; L669-L672 PolarHBondContact O-N 3.1Å; V670-L672 VanDerWaalsContact C-N 3.34Å; V670-L672 PolarHBondContact O-N 2.94Å; L672-A674 VanDerWaalsContact C-N 3.33Å; L672-A674 PolarHBondContact O-N 2.8Å; L672-M675 PolarHBondContact O-N 3.14Å; L672-F676 HydrophobicContact CD1-CD2 4.1Å; L672-F676 HydrophobicContact CD1-CE2 3.77Å; L672-F676 HydrophobicContact CD2-CE2 4.47Å; L672-F676 HydrophobicContact CG-CD2 3.96Å; L672-F676 HydrophobicContact CG-CE2 3.85Å; L672-F676 WeakPolarHBondContact O-CD2 3.41Å; L672-F676 PolarHBondContact O-N 2.86Å
673E88.1Confident88.6Confident3 Ų339.2 Ų39.21%0.01419%0.192CC..Hα-helixtrans-56.4-45.6174.4-175.9164.1179.200112F523 L587 K607 F640 L669 V670 M675 F676 R677F523-E673 HydrophobicContact CD1-CG 4.13Å; F523-E673 HydrophobicContact CE1-CB 4.18Å; F523-E673 HydrophobicContact CE1-CG 3.67Å; F523-E673 HydrophobicContact CZ-CG 4.3Å; L587-E673 HydrophobicContact CD1-CB 4.44Å; L587-E673 HydrophobicContact CD1-CG 4.23Å; L587-E673 HydrophobicContact CD2-CB 4.25Å; L587-E673 HydrophobicContact CD2-CG 4.33Å; K607-E673 IonicContact NZ-OE1 3.21Å; K607-E673 PolarHBondContact NZ-OE1 2.92Å; K607-E673 IonicContact NZ-OE2 2.87Å; K607-E673 PolarHBondContact NZ-OE2 2.91Å; F640-E673 HydrophobicContact CZ-CB 4.01Å; L669-E673 WeakPolarHBondContact O-CB 3.25Å; L669-E673 PolarHBondContact O-N 2.68Å; V670-E673 PolarHBondContact O-N 2.93Å; E673-M675 VanDerWaalsContact C-N 3.34Å; E673-M675 PolarHBondContact O-N 3.41Å; E673-F676 PolarHBondContact O-N 2.74Å; E673-R677 HydrophobicContact CG-CG 4.5Å; E673-R677 WeakPolarHBondContact O-CB 3.46Å; E673-R677 WeakPolarHBondContact O-CG 3.45Å; E673-R677 PolarHBondContact O-N 3.17Å; E673-R677 IonicContact OE1-CZ 2.81Å; E673-R677 VanDerWaalsContact OE1-CZ 3.31Å; E673-R677 IonicContact OE1-NE 2.92Å; E673-R677 PolarHBondContact OE1-NE 3.13Å; E673-R677 IonicContact OE1-NH2 3.79Å; E673-R677 PolarHBondContact OE1-NH2 3.02Å
674A83.8Confident88.2Confident7 Ų747.6 Ų47.66%0.05823%0.228CC..Hα-helixtrans-59.6-45.6179.700000111.7L587 V670 K671 L672 S678L587-A674 HydrophobicContact CB-CB 4.45Å; L587-A674 HydrophobicContact CD1-CB 3.49Å; L587-A674 VanDerWaalsContact CD1-CB 3.49Å; L587-A674 HydrophobicContact CG-CB 4.47Å; V670-A674 PolarHBondContact O-N 3.2Å; K671-A674 PolarHBondContact O-N 3.07Å; L672-A674 VanDerWaalsContact C-N 3.33Å; L672-A674 PolarHBondContact O-N 2.8Å; A674-S678 WeakPolarHBondContact O-CB 3.36Å; A674-S678 PolarHBondContact O-N 3.42Å; A674-S678 PolarHBondContact O-OG 3.23Å
675M88.3Confident87.9Confident122 Ų12254.5 Ų54.560%0.60126%0.259SS*.Hα-helixtrans-67.8-43-178.2-68-174.684.900111.9K671 L672 E673 S678 F679K671-M675 HydrophobicContact CG-SD 4.33Å; K671-M675 VanDerWaalsContact O-CG 3.29Å; K671-M675 WeakPolarHBondContact O-CG 3.5Å; K671-M675 PolarHBondContact O-N 2.9Å; L672-M675 PolarHBondContact O-N 3.14Å; E673-M675 VanDerWaalsContact C-N 3.34Å; E673-M675 PolarHBondContact O-N 3.41Å; M675-S678 PolarHBondContact O-N 3.03Å; M675-F679 WeakPolarHBondContact O-CB 3.08Å; M675-F679 PolarHBondContact O-N 3.36Å
676F89.3Confident87.5Confident33 Ų3357.5 Ų57.515%0.14529%0.29CS..Hα-helixtrans-61.9-46.6175.7-90.8-79.9000111.8I519 A521 F523 F640 L642 L672 E673 F679 Q680I519-F676 HydrophobicContact CG2-CE1 3.89Å; I519-F676 HydrophobicContact CG2-CZ 3.58Å; A521-F676 HydrophobicContact CB-CB 4.31Å; A521-F676 HydrophobicContact CB-CD1 3.65Å; A521-F676 HydrophobicContact CB-CD2 3.9Å; A521-F676 HydrophobicContact CB-CE1 3.8Å; A521-F676 HydrophobicContact CB-CE2 4.05Å; A521-F676 HydrophobicContact CB-CG 3.71Å; A521-F676 HydrophobicContact CB-CZ 3.99Å; F523-F676 HydrophobicContact CE2-CB 4.36Å; F523-F676 HydrophobicContact CZ-CB 3.69Å; F523-F676 HydrophobicContact CZ-CG 4.38Å; F640-F676 AromaticContact CD1-CD2 3.94Å; F640-F676 HydrophobicContact CD1-CD2 3.94Å; F640-F676 AromaticContact CD1-CE2 3.82Å; F640-F676 HydrophobicContact CD1-CE2 3.82Å; F640-F676 AromaticContact CE1-CD2 3.95Å; F640-F676 HydrophobicContact CE1-CD2 3.95Å; F640-F676 HydrophobicContact CE1-CE2 4.3Å; L642-F676 HydrophobicContact CD2-CE2 4Å; L642-F676 HydrophobicContact CD2-CZ 4.04Å; L672-F676 HydrophobicContact CD1-CD2 4.1Å; L672-F676 HydrophobicContact CD1-CE2 3.77Å; L672-F676 HydrophobicContact CD2-CE2 4.47Å; L672-F676 HydrophobicContact CG-CD2 3.96Å; L672-F676 HydrophobicContact CG-CE2 3.85Å; L672-F676 WeakPolarHBondContact O-CD2 3.41Å; L672-F676 PolarHBondContact O-N 2.86Å; E673-F676 PolarHBondContact O-N 2.74Å; F676-F679 PolarHBondContact O-N 3.43Å; F676-Q680 WeakPolarHBondContact O-CB 3.23Å; F676-Q680 VanDerWaalsContact O-CG 3.29Å; F676-Q680 WeakPolarHBondContact O-CG 3.46Å; F676-Q680 PolarHBondContact O-N 3.13Å
677R85.4Confident87.2Confident47 Ų4760.9 Ų60.918%0.17731%0.313CS..Hα-helixtrans-63.5-44.1179-72.6179.8-176.7-86.7-0.1112.2F523 E526 E673 F679 Q680 Q681F523-R677 HydrophobicContact CE2-CG 4.26Å; F523-R677 HydrophobicContact CZ-CG 4.38Å; E526-R677 VanDerWaalsContact CD-NH2 3.29Å; E526-R677 IonicContact OE1-CZ 3.31Å; E526-R677 IonicContact OE1-NH1 2.63Å; E526-R677 PolarHBondContact OE1-NH1 3.42Å; E526-R677 IonicContact OE1-NH2 2.74Å; E526-R677 PolarHBondContact OE1-NH2 3.18Å; E526-R677 IonicContact OE2-CZ 3.34Å; E526-R677 IonicContact OE2-NH1 3.81Å; E526-R677 PolarHBondContact OE2-NH1 3.1Å; E526-R677 IonicContact OE2-NH2 3.1Å; E673-R677 HydrophobicContact CG-CG 4.5Å; E673-R677 WeakPolarHBondContact O-CB 3.46Å; E673-R677 WeakPolarHBondContact O-CG 3.45Å; E673-R677 PolarHBondContact O-N 3.17Å; E673-R677 IonicContact OE1-CZ 2.81Å; E673-R677 VanDerWaalsContact OE1-CZ 3.31Å; E673-R677 IonicContact OE1-NE 2.92Å; E673-R677 PolarHBondContact OE1-NE 3.13Å; E673-R677 IonicContact OE1-NH2 3.79Å; E673-R677 PolarHBondContact OE1-NH2 3.02Å; R677-F679 VanDerWaalsContact C-N 3.31Å; R677-F679 PolarHBondContact O-N 3.46Å; R677-Q680 PolarHBondContact O-N 2.95Å; R677-Q681 VanDerWaalsContact O-CG 3.28Å; R677-Q681 WeakPolarHBondContact O-CG 3.43Å; R677-Q681 PolarHBondContact O-N 3Å
678S84.9Confident87Confident39 Ų3962.9 Ų62.927%0.27334%0.336SS..Hα-helixtrans-60.8-42.8177.2-58.90000111.2A674 M675 Q681 L682A674-S678 WeakPolarHBondContact O-CB 3.36Å; A674-S678 PolarHBondContact O-N 3.42Å; A674-S678 PolarHBondContact O-OG 3.23Å; M675-S678 PolarHBondContact O-N 3.03Å; S678-Q681 PolarHBondContact O-N 3.38Å; S678-L682 WeakPolarHBondContact O-CG 3.31Å; S678-L682 PolarHBondContact O-N 3.08Å
679F88.9Confident86.8Confident93 Ų9367.4 Ų67.441%0.40836%0.363SS..Hα-helixtrans-65.6-46.3177.1-170.7-89.7000112.2M675 F676 R677 Q681 L682 D683 A690M675-F679 WeakPolarHBondContact O-CB 3.08Å; M675-F679 PolarHBondContact O-N 3.36Å; F676-F679 PolarHBondContact O-N 3.43Å; R677-F679 VanDerWaalsContact C-N 3.31Å; R677-F679 PolarHBondContact O-N 3.46Å; F679-Q681 VanDerWaalsContact C-N 3.27Å; F679-Q681 PolarHBondContact O-N 3.49Å; F679-L682 PolarHBondContact O-N 2.96Å; F679-D683 HydrophobicContact CD1-CB 4.4Å; F679-D683 HydrophobicContact CE1-CB 4.06Å; F679-D683 PolarHBondContact O-N 3.18Å; F679-A690 HydrophobicContact CD2-CB 4.06Å; F679-A690 HydrophobicContact CE2-CB 3.7Å; F679-A690 HydrophobicContact CZ-CB 4.22Å
680Q87.6Confident86.7Confident100 Ų10068.7 Ų68.747%0.46737%0.374SS..Hα-helixtrans-61.2-33.2177.4-73.5171.4-13.800112.9F676 R677 L682F676-Q680 WeakPolarHBondContact O-CB 3.23Å; F676-Q680 VanDerWaalsContact O-CG 3.29Å; F676-Q680 WeakPolarHBondContact O-CG 3.46Å; F676-Q680 PolarHBondContact O-N 3.13Å; R677-Q680 PolarHBondContact O-N 2.95Å; Q680-L682 VanDerWaalsContact C-N 3.33Å
681Q84.6Confident86.7Confident142 Ų14277.4 Ų77.466%0.66442%0.415SS*.Hα-helixtrans-69.3-30.8174.9-74.6175.111.900113R677 S678 F679R677-Q681 VanDerWaalsContact O-CG 3.28Å; R677-Q681 WeakPolarHBondContact O-CG 3.43Å; R677-Q681 PolarHBondContact O-N 3Å; S678-Q681 PolarHBondContact O-N 3.38Å; F679-Q681 VanDerWaalsContact C-N 3.27Å; F679-Q681 PolarHBondContact O-N 3.49Å
682L87.6Confident86.8Confident79 Ų7977.8 Ų77.841%0.41442%0.419SS..Hα-helixtrans-82.1-39.7177.7-65.7169.9000111.6S678 F679 Q680 K684 A690 I692 L700S678-L682 WeakPolarHBondContact O-CG 3.31Å; S678-L682 PolarHBondContact O-N 3.08Å; F679-L682 PolarHBondContact O-N 2.96Å; Q680-L682 VanDerWaalsContact C-N 3.33Å; L682-K684 VanDerWaalsContact C-N 3.32Å; L682-K684 PolarHBondContact O-N 3.18Å; L682-K684 VanDerWaalsContact O-N 3.08Å; L682-A690 HydrophobicContact CB-CB 3.79Å; L682-A690 HydrophobicContact CD1-CB 4.39Å; L682-I692 HydrophobicContact CD1-CG2 3.93Å; L682-L700 HydrophobicContact CD1-CD1 3.95Å
683D89.3Confident86.9Confident25 Ų2580.5 Ų80.513%0.13443%0.433CS..  trans-85.266.3178.8-17424.3000112.4F679 E685 G686 S687 G688F679-D683 HydrophobicContact CD1-CB 4.4Å; F679-D683 HydrophobicContact CE1-CB 4.06Å; F679-D683 PolarHBondContact O-N 3.18Å; D683-E685 PolarHBondContact O-N 2.82Å; D683-G686 PolarHBondContact O-N 2.78Å; D683-G686 PolarHBondContact OD1-N 3.5Å; D683-G686 WeakPolarHBondContact OD2-CA 3.4Å; D683-S687 PolarHBondContact OD1-N 3.47Å; D683-S687 PolarHBondContact OD1-OG 2.5Å; D683-S687 PolarHBondContact OD2-N 3.19Å; D683-G688 WeakPolarHBondContact OD2-CA 3.3Å; D683-G688 PolarHBondContact OD2-N 2.87Å
684K82.3Confident87.1Confident187 Ų18786.5 Ų86.581%0.81347%0.465SS*.THydrogen-bonded Turntrans-64.9-22-178-62.8-174.4-177.9177.40114.1L682L682-K684 VanDerWaalsContact C-N 3.32Å; L682-K684 PolarHBondContact O-N 3.18Å; L682-K684 VanDerWaalsContact O-N 3.08Å
685E84.3Confident87.4Confident182 Ų18289.8 Ų89.885%0.8548%0.484SS*.THydrogen-bonded Turntrans-95-5.9-176.7-62.2-175.6177.700112.5D683 S687D683-E685 PolarHBondContact O-N 2.82Å; E685-S687 PolarHBondContact O-N 3.41Å
686G83.1Confident87.4Confident63 Ų6388 Ų8865%0.64948%0.475SS*.  trans64.230.4-176.100000112.5D683 G688D683-G686 PolarHBondContact O-N 2.78Å; D683-G686 PolarHBondContact OD1-N 3.5Å; D683-G686 WeakPolarHBondContact OD2-CA 3.4Å; G686-G688 VanDerWaalsContact C-N 3.26Å; G686-G688 PolarHBondContact O-N 2.79Å
687S86.1Confident87.3Confident71 Ų7193 Ų9350%0.49749%0.492SS..  trans-75.7-15.5-177.168.20000112.9D683 E685 V689D683-S687 PolarHBondContact OD1-N 3.47Å; D683-S687 PolarHBondContact OD1-OG 2.5Å; D683-S687 PolarHBondContact OD2-N 3.19Å; E685-S687 PolarHBondContact O-N 3.41Å; S687-V689 PolarHBondContact OG-N 3Å; S687-V689 VanDerWaalsContact OG-N 3.16Å; S687-V689 PolarHBondContact OG-O 3.48Å; S687-V689 VanDerWaalsContact OG-O 3.06Å
688G85.1Confident87.3Confident53 Ų5394.7 Ų94.755%0.54651%0.505SS..SBendtrans777-170.500000113.5D683 G686D683-G688 WeakPolarHBondContact OD2-CA 3.3Å; D683-G688 PolarHBondContact OD2-N 2.87Å; G686-G688 VanDerWaalsContact C-N 3.26Å; G686-G688 PolarHBondContact O-N 2.79Å
689V87.3Confident87.2Confident97 Ų97100.2 Ų100.259%0.58852%0.521SS*.  trans-131.3134.2-178.8-176.90000110.2S687S687-V689 PolarHBondContact OG-N 3Å; S687-V689 VanDerWaalsContact OG-N 3.16Å; S687-V689 PolarHBondContact OG-O 3.48Å; S687-V689 VanDerWaalsContact OG-O 3.06Å
690A88.3Confident86.7Confident27 Ų2798.9 Ų98.922%0.22352%0.517CS..  trans-117.7123.2173.200000110.1F679 L682F679-A690 HydrophobicContact CD2-CB 4.06Å; F679-A690 HydrophobicContact CE2-CB 3.7Å; F679-A690 HydrophobicContact CZ-CB 4.22Å; L682-A690 HydrophobicContact CB-CB 3.79Å; L682-A690 HydrophobicContact CD1-CB 4.39Å
691E88.3Confident86.3Confident183 Ų18397.3 Ų97.386%0.85552%0.515SS*.  trans-87.8128.5173.5-67.9-17217500110.5
692I90.8Very high85.7Confident62 Ų6297.8 Ų97.832%0.31852%0.519SS..  trans-140.5142178.351.3173.4000110L682 E696 W697 L700L682-I692 HydrophobicContact CD1-CG2 3.93Å; I692-E696 WeakPolarHBondContact CA-OE2 3.35Å; I692-E696 HydrophobicContact CB-CB 4.18Å; I692-E696 HydrophobicContact CG2-CB 4.36Å; I692-W697 HydrophobicContact CD1-CB 3.98Å; I692-W697 HydrophobicContact CD1-CD2 4.19Å; I692-W697 HydrophobicContact CD1-CE3 3.4Å; I692-W697 HydrophobicContact CD1-CG 4.47Å; I692-W697 HydrophobicContact CD1-CZ3 4.2Å; I692-L700 HydrophobicContact CG2-CD1 4.29Å
693N92.4Very high84.3Confident76 Ų7698 Ų9841%0.40653%0.526SS..  trans-85171.3170.869.857.6000111.5T695 E696 W697N693-T695 PolarHBondContact O-N 3.41Å; N693-T695 WeakPolarHBondContact OD1-CA 3.27Å; N693-T695 VanDerWaalsContact OD1-CB 3.27Å; N693-T695 WeakPolarHBondContact OD1-CB 3.42Å; N693-T695 PolarHBondContact OD1-N 2.97Å; N693-E696 VanDerWaalsContact CG-OE2 3.28Å; N693-E696 PolarHBondContact N-OE2 3.18Å; N693-E696 PolarHBondContact ND2-OE1 3.48Å; N693-E696 VanDerWaalsContact ND2-OE1 3.09Å; N693-E696 PolarHBondContact ND2-OE2 2.85Å; N693-E696 PolarHBondContact O-N 3.06Å; N693-E696 PolarHBondContact OD1-N 3.11Å; N693-W697 WeakPolarHBondContact O-CB 3.39Å; N693-W697 PolarHBondContact O-N 2.55Å
694L91.1Very high82.5Confident128 Ų12899.2 Ų99.267%0.6754%0.544SS*.Hα-helixtrans-58-36.1-178.4179.562000113L698L694-L698 HydrophobicContact CD1-CD1 4.35Å; L694-L698 HydrophobicContact CD1-CG 4.34Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 VanDerWaalsContact O-CG 3.24Å; L694-L698 WeakPolarHBondContact O-CG 3.25Å; L694-L698 PolarHBondContact O-N 3Å
695T90.8Very high82.5Confident76 Ų7694.8 Ų94.847%0.46653%0.53SS..Hα-helixtrans-69.8-45.9-178.7-520000110.5N693 L698 Y699N693-T695 PolarHBondContact O-N 3.41Å; N693-T695 WeakPolarHBondContact OD1-CA 3.27Å; N693-T695 VanDerWaalsContact OD1-CB 3.27Å; N693-T695 WeakPolarHBondContact OD1-CB 3.42Å; N693-T695 PolarHBondContact OD1-N 2.97Å; T695-L698 PolarHBondContact O-N 3.35Å; T695-Y699 HydrophobicContact CG2-CD2 4.11Å; T695-Y699 HydrophobicContact CG2-CE1 4.45Å; T695-Y699 HydrophobicContact CG2-CE2 3.51Å; T695-Y699 PolarHBondContact O-N 2.93Å
696E88.1Confident82.4Confident86 Ų8690.2 Ų90.240%0.40251%0.514SS..Hα-helixtrans-61.9-43.5175.2-70.8159.517600111.6I692 N693 L698 Y699 L700I692-E696 WeakPolarHBondContact CA-OE2 3.35Å; I692-E696 HydrophobicContact CB-CB 4.18Å; I692-E696 HydrophobicContact CG2-CB 4.36Å; N693-E696 VanDerWaalsContact CG-OE2 3.28Å; N693-E696 PolarHBondContact N-OE2 3.18Å; N693-E696 PolarHBondContact ND2-OE1 3.48Å; N693-E696 VanDerWaalsContact ND2-OE1 3.09Å; N693-E696 PolarHBondContact ND2-OE2 2.85Å; N693-E696 PolarHBondContact O-N 3.06Å; N693-E696 PolarHBondContact OD1-N 3.11Å; E696-L698 VanDerWaalsContact C-N 3.32Å; E696-L698 PolarHBondContact O-N 3.45Å; E696-Y699 PolarHBondContact O-N 2.81Å; E696-L700 WeakPolarHBondContact O-CB 3.49Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.24Å
697W87.4Confident82.4Confident137 Ų13791.7 Ų91.752%0.51951%0.506SS..Hα-helixtrans-57.6-44.6174174.5-108.3000112.1I692 N693 L700 T701I692-W697 HydrophobicContact CD1-CB 3.98Å; I692-W697 HydrophobicContact CD1-CD2 4.19Å; I692-W697 HydrophobicContact CD1-CE3 3.4Å; I692-W697 HydrophobicContact CD1-CG 4.47Å; I692-W697 HydrophobicContact CD1-CZ3 4.2Å; N693-W697 WeakPolarHBondContact O-CB 3.39Å; N693-W697 PolarHBondContact O-N 2.55Å; W697-L700 PolarHBondContact O-N 3.06Å; W697-T701 HydrophobicContact CD2-CG2 3.77Å; W697-T701 HydrophobicContact CE3-CG2 3.83Å; W697-T701 HydrophobicContact CH2-CG2 3.81Å; W697-T701 HydrophobicContact CZ2-CG2 3.66Å; W697-T701 HydrophobicContact CZ3-CG2 3.87Å; W697-T701 WeakPolarHBondContact O-CB 3.33Å; W697-T701 WeakPolarHBondContact O-CG2 3.36Å; W697-T701 PolarHBondContact O-N 2.78Å; W697-T701 PolarHBondContact O-OG1 3.12Å
698L85.9Confident82.2Confident83 Ų8392.9 Ų92.944%0.43551%0.507SS..Hα-helixtrans-66.2-41.3177.8-72.3172.5000111.8L694 T695 E696 T701 M702L694-L698 HydrophobicContact CD1-CD1 4.35Å; L694-L698 HydrophobicContact CD1-CG 4.34Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 WeakPolarHBondContact O-CB 3.49Å; L694-L698 VanDerWaalsContact O-CG 3.24Å; L694-L698 WeakPolarHBondContact O-CG 3.25Å; L694-L698 PolarHBondContact O-N 3Å; T695-L698 PolarHBondContact O-N 3.35Å; E696-L698 VanDerWaalsContact C-N 3.32Å; E696-L698 PolarHBondContact O-N 3.45Å; L698-T701 PolarHBondContact O-N 3.2Å; L698-M702 WeakPolarHBondContact O-CB 3.48Å; L698-M702 WeakPolarHBondContact O-CG 3.3Å; L698-M702 PolarHBondContact O-N 3.28Å
699Y81.5Confident82Confident155 Ų15595.4 Ų95.461%0.60850%0.504SS*.Hα-helixtrans-62.2-45.8175.1-67.7-29.4000111.9T695 E696 T701 C703 G704T695-Y699 HydrophobicContact CG2-CD2 4.11Å; T695-Y699 HydrophobicContact CG2-CE1 4.45Å; T695-Y699 HydrophobicContact CG2-CE2 3.51Å; T695-Y699 PolarHBondContact O-N 2.93Å; E696-Y699 PolarHBondContact O-N 2.81Å; Y699-T701 PolarHBondContact O-N 3.4Å; Y699-C703 WeakPolarHBondContact O-CA 3.4Å; Y699-C703 WeakPolarHBondContact O-CB 3.11Å; Y699-C703 PolarHBondContact O-N 3.37Å; Y699-G704 PolarHBondContact O-N 3.27Å
700L79.4Confident81.7Confident64 Ų6495.3 Ų95.334%0.33550%0.499SS..Hα-helixtrans-65.3-39.8178.8-72167.9000112.7L682 I692 E696 W697 G704L682-L700 HydrophobicContact CD1-CD1 3.95Å; I692-L700 HydrophobicContact CG2-CD1 4.29Å; E696-L700 WeakPolarHBondContact O-CB 3.49Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.24Å; W697-L700 PolarHBondContact O-N 3.06Å; L700-G704 VanDerWaalsContact O-CA 3.3Å; L700-G704 WeakPolarHBondContact O-CA 3.32Å; L700-G704 PolarHBondContact O-N 2.9Å
701T78.8Confident81.2Confident68 Ų68100.2 Ų100.242%0.41752%0.518SS..Hα-helixtrans-86.9-26-173.953.60000114.7W697 L698 Y699W697-T701 HydrophobicContact CD2-CG2 3.77Å; W697-T701 HydrophobicContact CE3-CG2 3.83Å; W697-T701 HydrophobicContact CH2-CG2 3.81Å; W697-T701 HydrophobicContact CZ2-CG2 3.66Å; W697-T701 HydrophobicContact CZ3-CG2 3.87Å; W697-T701 WeakPolarHBondContact O-CB 3.33Å; W697-T701 WeakPolarHBondContact O-CG2 3.36Å; W697-T701 PolarHBondContact O-N 2.78Å; W697-T701 PolarHBondContact O-OG1 3.12Å; L698-T701 PolarHBondContact O-N 3.2Å; Y699-T701 PolarHBondContact O-N 3.4Å
702M72.1Confident80.6Confident151 Ų15193.8 Ų93.874%0.74449%0.492SS*.Hα-helixtrans-98.8-27.7-179.9-64.7-68.2-62.600113.3L698L698-M702 WeakPolarHBondContact O-CB 3.48Å; L698-M702 WeakPolarHBondContact O-CG 3.3Å; L698-M702 PolarHBondContact O-N 3.28Å
703C58.2Low79.8Confident85 Ų8596.5 Ų96.557%0.57451%0.507SS*.Hα-helixtrans-112.7-17.6-176.3-53.10000113.4N586 Y699N586-C703 PolarHBondContact ND2-O 3.3Å; Y699-C703 WeakPolarHBondContact O-CA 3.4Å; Y699-C703 WeakPolarHBondContact O-CB 3.11Å; Y699-C703 PolarHBondContact O-N 3.37Å
704G52Low78.7Confident49 Ų4998.4 Ų98.451%0.50552%0.516SS..  trans-85.9017700000115.4Y699 L700Y699-G704 PolarHBondContact O-N 3.27Å; L700-G704 VanDerWaalsContact O-CA 3.3Å; L700-G704 WeakPolarHBondContact O-CA 3.32Å; L700-G704 PolarHBondContact O-N 2.9Å

Retrieved 704 of 704 residues in 1694.2 ms (Link to these results)

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