A0A3Q0KL93_SCHMA Loading...

Putative arp2/3

AlphaFold DB , UniProt , Accession A0A3Q0KL93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 416 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
1M77Confident90.7Very high129 Ų12965.8 Ų65.864%0.63531%0.313SS*.  0130.40-179.6169.373.700107.1F3 L4 E5 Y257M1-F3 WeakPolarHBondContact CG-O 3.4Å; M1-L4 HydrophobicContact CE-CD2 3.79Å; M1-E5 HydrophobicContact SD-CG 4.08Å; M1-Y257 WeakPolarHBondContact O-CE1 3.44Å; M1-Y257 PolarHBondContact O-OH 2.9Å
2I85.4Confident91.2Very high70 Ų7062.6 Ų62.636%0.35930%0.298SS..  trans-96.4-60.3-177.5-65.3158.1000109.8Y254 H258 G414I2-Y254 VanDerWaalsContact O-CE2 3.28Å; I2-Y254 WeakPolarHBondContact O-CE2 3.15Å; I2-H258 PolarHBondContact O-CE1 2.98Å; I2-H258 PolarHBondContact O-NE2 3.43Å; I2-G414 VanDerWaalsContact CD1-O 3.29Å; I2-G414 WeakPolarHBondContact CD1-O 3.35Å
3F85.9Confident91.5Very high134 Ų13465.1 Ų65.159%0.58831%0.309SS*.SBendtrans-82.4138.5169.5-66.1-74.6000110.3M1 L247 Y254M1-F3 WeakPolarHBondContact CG-O 3.4Å; F3-L247 HydrophobicContact CD1-CD2 4.37Å; F3-L247 HydrophobicContact CE1-CD2 4.43Å; F3-Y254 HydrophobicContact CD1-CD2 4.28Å; F3-Y254 AromaticContact CD1-CE2 3.82Å; F3-Y254 HydrophobicContact CD1-CE2 3.82Å; F3-Y254 HydrophobicContact CE1-CE2 4.04Å
4L90.7Very high91.8Very high15 Ų1561.9 Ų61.98%0.07930%0.296CS..PPolyproline II helixtrans-71.5145.5173.1-62.1-177.9000110.4M1 I250 N253 Y257M1-L4 HydrophobicContact CE-CD2 3.79Å; L4-I250 HydrophobicContact CB-CD1 3.56Å; L4-I250 HydrophobicContact CB-CG1 4.1Å; L4-I250 HydrophobicContact CD1-CD1 4.41Å; L4-I250 HydrophobicContact CD1-CG1 4.15Å; L4-N253 HydrophobicContact CD1-CB 3.88Å; L4-Y257 HydrophobicContact CD2-CD1 3.78Å; L4-Y257 HydrophobicContact CD2-CD2 3.99Å; L4-Y257 HydrophobicContact CD2-CE1 4.08Å; L4-Y257 HydrophobicContact CD2-CE2 4.27Å; L4-Y257 HydrophobicContact CD2-CG 3.73Å
5E92.2Very high92Very high86 Ų8657.7 Ų57.740%0.40228%0.276SS..PPolyproline II helixtrans-64.2138.8169.7-68.7172.7179.500109.8M1 I250M1-E5 HydrophobicContact SD-CG 4.08Å; E5-I250 WeakPolarHBondContact O-CD1 3.4Å
6I92.8Very high92.2Very high55 Ų5556.6 Ų56.628%0.28227%0.271SS..SBendtrans-90.3-29.9-173.4-62.9149.7000111.8L116 R119 N246 I250I6-L116 HydrophobicContact CB-CD2 4.43Å; I6-L116 HydrophobicContact CG2-CD2 3.78Å; I6-R119 HydrophobicContact CG2-CB 4.08Å; I6-R119 HydrophobicContact CG2-CG 3.89Å; I6-N246 HydrophobicContact CD1-CB 3.74Å; I6-N246 HydrophobicContact CG1-CB 4.48Å; I6-I250 HydrophobicContact CG1-CD1 4.46Å
7F93.4Very high92.3Very high55 Ų5560.8 Ų60.824%0.24129%0.285CS..SBendtrans-92.5149.8177.958.5-90.5000109.8R9 E12 A115 L116F7-R9 HydrophobicContact CD2-CB 4.49Å; F7-R9 HydrophobicContact CE2-CB 4.17Å; F7-R9 PolarHBondContact O-N 3.21Å; F7-R9 VanDerWaalsContact O-N 3.09Å; F7-E12 WeakPolarHBondContact CD2-OE2 2.99Å; F7-E12 WeakPolarHBondContact CE2-OE2 3.38Å; F7-A115 WeakPolarHBondContact CA-O 3.13Å; F7-A115 HydrophobicContact CB-CB 3.9Å; F7-L116 HydrophobicContact CB-CD2 3.78Å; F7-L116 HydrophobicContact CB-CG 4.01Å
8N94.9Very high92.3Very high17 Ų1760 Ų609%0.09128%0.279CS..  trans-77.598.9174.3-167.4-62.4000110A10 V11 E12 D37 Y43 A115N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 2.9Å; N8-A10 PolarHBondContact OD1-N 3.4Å; N8-V11 HydrophobicContact CB-CB 4.08Å; N8-V11 HydrophobicContact CB-CG2 3.87Å; N8-V11 WeakPolarHBondContact O-CB 3.46Å; N8-V11 PolarHBondContact O-N 3.06Å; N8-V11 PolarHBondContact OD1-N 3.44Å; N8-E12 PolarHBondContact O-N 3.39Å; N8-E12 VanDerWaalsContact O-N 3.08Å; N8-D37 PolarHBondContact ND2-OD2 3.31Å; N8-Y43 HydrophobicContact CB-CE2 4.15Å; N8-A115 PolarHBondContact N-O 3.01Å; N8-A115 WeakPolarHBondContact O-CB 3.45Å
9R94.8Very high92.4Very high129 Ų12956.8 Ų56.849%0.48726%0.264SS..Hα-helixtrans-53.4-38.4-178.3-179.2175169.6156.15.5113.9F7 V11 E12 E13F7-R9 HydrophobicContact CD2-CB 4.49Å; F7-R9 HydrophobicContact CE2-CB 4.17Å; F7-R9 PolarHBondContact O-N 3.21Å; F7-R9 VanDerWaalsContact O-N 3.09Å; R9-V11 VanDerWaalsContact C-N 3.34Å; R9-V11 PolarHBondContact O-N 3.31Å; R9-E12 PolarHBondContact O-N 3.11Å; R9-E13 HydrophobicContact CG-CG 4.25Å; R9-E13 IonicContact CZ-OE1 3.98Å; R9-E13 VanDerWaalsContact CZ-OE1 3.23Å; R9-E13 IonicContact NE-OE1 3.92Å; R9-E13 PolarHBondContact NE-OE1 3.06Å; R9-E13 IonicContact NH2-OE1 3.57Å; R9-E13 PolarHBondContact NH2-OE1 3.38Å; R9-E13 WeakPolarHBondContact O-CB 3.47Å; R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.39Å
10A95.3Very high92.4Very high34 Ų3458.5 Ų58.528%0.28127%0.272SS..Hα-helixtrans-68.5-32.6178.800000112.4N8 T14 L35N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 2.9Å; N8-A10 PolarHBondContact OD1-N 3.4Å; A10-T14 VanDerWaalsContact O-CB 3.24Å; A10-T14 WeakPolarHBondContact O-CB 3.23Å; A10-T14 PolarHBondContact O-N 3.34Å; A10-T14 VanDerWaalsContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 2.93Å; A10-L35 HydrophobicContact CB-CD1 3.79Å; A10-L35 HydrophobicContact CB-CD2 3.93Å; A10-L35 HydrophobicContact CB-CG 4.46Å
11V95.7Very high92.5Very high0 Ų057.1 Ų57.10%027%0.267CS..Hα-helixtrans-67.2-44.9171.5173.20000110.6N8 R9 L15 L35 Y43 L45 V57 A115N8-V11 HydrophobicContact CB-CB 4.08Å; N8-V11 HydrophobicContact CB-CG2 3.87Å; N8-V11 WeakPolarHBondContact O-CB 3.46Å; N8-V11 PolarHBondContact O-N 3.06Å; N8-V11 PolarHBondContact OD1-N 3.44Å; R9-V11 VanDerWaalsContact C-N 3.34Å; R9-V11 PolarHBondContact O-N 3.31Å; V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 2.8Å; V11-L35 HydrophobicContact CG2-CD1 3.83Å; V11-Y43 HydrophobicContact CG2-CD1 3.94Å; V11-Y43 HydrophobicContact CG2-CD2 4.29Å; V11-Y43 HydrophobicContact CG2-CE1 4.25Å; V11-Y43 HydrophobicContact CG2-CG 3.94Å; V11-L45 HydrophobicContact CB-CD2 4.5Å; V11-L45 HydrophobicContact CG1-CD2 4.24Å; V11-L45 HydrophobicContact CG2-CD1 4.04Å; V11-L45 HydrophobicContact CG2-CD2 4.45Å; V11-V57 HydrophobicContact CG1-CG1 4.42Å; V11-A115 HydrophobicContact CB-CB 4.32Å; V11-A115 HydrophobicContact CG1-CB 4.27Å
12E96.1Very high93.1Very high27 Ų2751.8 Ų51.813%0.12624%0.243CC..Hα-helixtrans-62-54.1178.5-170177.9-13800111.7F7 N8 R9 T14 L15 L16 A111 Q112 A115F7-E12 WeakPolarHBondContact CD2-OE2 2.99Å; F7-E12 WeakPolarHBondContact CE2-OE2 3.38Å; N8-E12 PolarHBondContact O-N 3.39Å; N8-E12 VanDerWaalsContact O-N 3.08Å; R9-E12 PolarHBondContact O-N 3.11Å; E12-T14 VanDerWaalsContact C-N 3.32Å; E12-T14 PolarHBondContact O-N 3.12Å; E12-L15 PolarHBondContact O-N 2.86Å; E12-L15 VanDerWaalsContact O-N 3.16Å; E12-L16 HydrophobicContact CG-CD1 3.89Å; E12-L16 HydrophobicContact CG-CG 4.29Å; E12-L16 WeakPolarHBondContact O-CB 3.27Å; E12-L16 WeakPolarHBondContact O-CG 3.4Å; E12-L16 PolarHBondContact O-N 3.24Å; E12-A111 HydrophobicContact CG-CB 4.44Å; E12-Q112 VanDerWaalsContact OE1-CB 3.32Å; E12-Q112 WeakPolarHBondContact OE1-CB 3.37Å; E12-Q112 PolarHBondContact OE1-NE2 2.93Å; E12-A115 HydrophobicContact CB-CB 3.82Å
13E95.7Very high93.4Very high95 Ų9553.1 Ų53.144%0.44425%0.246SC..Hα-helixtrans-59.2-41179.9-72.2176.616700111.8R9 Y17R9-E13 HydrophobicContact CG-CG 4.25Å; R9-E13 IonicContact CZ-OE1 3.98Å; R9-E13 VanDerWaalsContact CZ-OE1 3.23Å; R9-E13 IonicContact NE-OE1 3.92Å; R9-E13 PolarHBondContact NE-OE1 3.06Å; R9-E13 IonicContact NH2-OE1 3.57Å; R9-E13 PolarHBondContact NH2-OE1 3.38Å; R9-E13 WeakPolarHBondContact O-CB 3.47Å; R9-E13 WeakPolarHBondContact O-CG 3.4Å; R9-E13 PolarHBondContact O-N 3.39Å; E13-Y17 WeakPolarHBondContact O-CB 3.34Å; E13-Y17 PolarHBondContact O-N 2.82Å
14T95.1Very high93.6Very high20 Ų2052.5 Ų52.512%0.12325%0.249CC..Hα-helixtrans-64.2-42.2177-58.50000111.7A10 E12 R18 F31 L45A10-T14 VanDerWaalsContact O-CB 3.24Å; A10-T14 WeakPolarHBondContact O-CB 3.23Å; A10-T14 PolarHBondContact O-N 3.34Å; A10-T14 VanDerWaalsContact O-N 3.15Å; A10-T14 PolarHBondContact O-OG1 2.93Å; E12-T14 VanDerWaalsContact C-N 3.32Å; E12-T14 PolarHBondContact O-N 3.12Å; T14-R18 VanDerWaalsContact O-CG 3.28Å; T14-R18 WeakPolarHBondContact O-CG 3.14Å; T14-R18 PolarHBondContact O-N 2.74Å; T14-F31 HydrophobicContact CG2-CE2 4.4Å; T14-L45 HydrophobicContact CG2-CD2 3.86Å
15L94.6Very high93.5Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-72.9-44.6179.9-71.6172.4000112.2V11 E12 Y17 R18 F19 L45 I55 V57 A111 A114V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 WeakPolarHBondContact O-CB 3.45Å; V11-L15 VanDerWaalsContact O-CG 3.3Å; V11-L15 WeakPolarHBondContact O-CG 3.34Å; V11-L15 PolarHBondContact O-N 2.8Å; E12-L15 PolarHBondContact O-N 2.86Å; E12-L15 VanDerWaalsContact O-N 3.16Å; L15-Y17 PolarHBondContact O-N 3.13Å; L15-R18 PolarHBondContact O-N 2.7Å; L15-R18 VanDerWaalsContact O-N 3.15Å; L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CB-CZ 4.25Å; L15-F19 HydrophobicContact CD2-CE1 4.39Å; L15-F19 HydrophobicContact CD2-CZ 4.13Å; L15-F19 WeakPolarHBondContact O-CB 3.33Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 WeakPolarHBondContact O-CG 3.47Å; L15-F19 PolarHBondContact O-N 3.22Å; L15-L45 HydrophobicContact CG-CD2 4.42Å; L15-I55 HydrophobicContact CD2-CG2 4.01Å; L15-V57 HydrophobicContact CD1-CG2 4.13Å; L15-V57 HydrophobicContact CD2-CG2 3.78Å; L15-V57 HydrophobicContact CG-CG2 4.48Å; L15-A111 HydrophobicContact CB-CB 3.88Å; L15-A114 HydrophobicContact CD1-CB 3.45Å; L15-A114 VanDerWaalsContact CD1-CB 3.45Å
16L95Very high93.4Very high39 Ų3955.4 Ų55.420%0.20428%0.283CS..Hα-helixtrans-54.6-51.8175.5-74.3175000111E12 R18 F19 E20 Y107 A108 A111E12-L16 HydrophobicContact CG-CD1 3.89Å; E12-L16 HydrophobicContact CG-CG 4.29Å; E12-L16 WeakPolarHBondContact O-CB 3.27Å; E12-L16 WeakPolarHBondContact O-CG 3.4Å; E12-L16 PolarHBondContact O-N 3.24Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 2.74Å; L16-F19 PolarHBondContact O-N 3.09Å; L16-F19 VanDerWaalsContact O-N 3.15Å; L16-E20 WeakPolarHBondContact O-CB 3.44Å; L16-E20 WeakPolarHBondContact O-CG 3.5Å; L16-E20 PolarHBondContact O-N 3.4Å; L16-Y107 HydrophobicContact CD2-CD2 4.48Å; L16-A108 HydrophobicContact CD2-CB 3.93Å; L16-A111 HydrophobicContact CD2-CB 3.8Å; L16-A111 HydrophobicContact CG-CB 3.87Å
17Y93.9Very high93.3Very high128 Ų12861.1 Ų61.150%0.50231%0.306SS..Hα-helixtrans-56.1-40.8178178.1-110.1000112.3E13 L15 N21E13-Y17 WeakPolarHBondContact O-CB 3.34Å; E13-Y17 PolarHBondContact O-N 2.82Å; L15-Y17 PolarHBondContact O-N 3.13Å; Y17-N21 VanDerWaalsContact CE1-ND2 3.27Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.28Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.34Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.18Å; Y17-N21 WeakPolarHBondContact O-CB 3.18Å; Y17-N21 VanDerWaalsContact O-CG 3.23Å; Y17-N21 PolarHBondContact O-N 2.99Å; Y17-N21 VanDerWaalsContact O-N 3.12Å; Y17-N21 PolarHBondContact O-ND2 3.07Å
18R92.8Very high93.2Very high47 Ų4761.3 Ų61.318%0.17731%0.307CS..Hα-helixtrans-74.8-34.7178.9-63-60.7178.6-169.93112.9T14 L15 L16 A22 E29 F31 I55T14-R18 VanDerWaalsContact O-CG 3.28Å; T14-R18 WeakPolarHBondContact O-CG 3.14Å; T14-R18 PolarHBondContact O-N 2.74Å; L15-R18 PolarHBondContact O-N 2.7Å; L15-R18 VanDerWaalsContact O-N 3.15Å; L16-R18 VanDerWaalsContact C-N 3.27Å; L16-R18 PolarHBondContact O-N 2.74Å; R18-A22 WeakPolarHBondContact O-CB 3.46Å; R18-A22 PolarHBondContact O-N 3.45Å; R18-E29 IonicContact CZ-OE2 3.94Å; R18-E29 IonicContact NH1-OE2 2.85Å; R18-E29 PolarHBondContact NH1-OE2 3.41Å; R18-E29 IonicContact NH2-OE2 2.86Å; R18-F31 HydrophobicContact CG-CE1 4.2Å; R18-F31 HydrophobicContact CG-CZ 4.42Å; R18-I55 HydrophobicContact CB-CD1 3.69Å; R18-I55 HydrophobicContact CG-CD1 4.21Å
19F94.3Very high92.9Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-69.5-41175.6-64-16.5000112.2L15 L16 A22 K23 Y98 L100 L103 Y107 I110 A111L15-F19 HydrophobicContact CB-CE2 4.1Å; L15-F19 HydrophobicContact CB-CZ 4.25Å; L15-F19 HydrophobicContact CD2-CE1 4.39Å; L15-F19 HydrophobicContact CD2-CZ 4.13Å; L15-F19 WeakPolarHBondContact O-CB 3.33Å; L15-F19 WeakPolarHBondContact O-CD2 3.34Å; L15-F19 WeakPolarHBondContact O-CG 3.47Å; L15-F19 PolarHBondContact O-N 3.22Å; L16-F19 PolarHBondContact O-N 3.09Å; L16-F19 VanDerWaalsContact O-N 3.15Å; F19-A22 PolarHBondContact O-N 3.15Å; F19-K23 WeakPolarHBondContact O-CG 3.39Å; F19-K23 PolarHBondContact O-N 3.3Å; F19-Y98 HydrophobicContact CZ-CD1 4.41Å; F19-Y98 HydrophobicContact CZ-CD2 4.39Å; F19-Y98 HydrophobicContact CZ-CG 4.07Å; F19-L100 HydrophobicContact CD1-CD2 3.62Å; F19-L100 HydrophobicContact CE1-CD2 3.97Å; F19-L103 HydrophobicContact CB-CD1 3.95Å; F19-L103 HydrophobicContact CD1-CD1 3.87Å; F19-L103 HydrophobicContact CD1-CD2 3.77Å; F19-L103 HydrophobicContact CD1-CG 4.5Å; F19-L103 HydrophobicContact CE1-CD2 3.85Å; F19-L103 HydrophobicContact CG-CD1 4.1Å; F19-L103 HydrophobicContact CG-CD2 4.21Å; F19-L103 HydrophobicContact CZ-CD2 4.34Å; F19-Y107 HydrophobicContact CB-CD2 3.7Å; F19-Y107 HydrophobicContact CB-CE2 4.41Å; F19-Y107 HydrophobicContact CB-CG 4.16Å; F19-Y107 HydrophobicContact CD2-CD2 4.23Å; F19-Y107 HydrophobicContact CG-CD2 4.46Å; F19-I110 HydrophobicContact CE2-CG2 4.35Å; F19-A111 HydrophobicContact CD2-CB 4.22Å; F19-A111 HydrophobicContact CE2-CB 3.99Å
20E93.1Very high92.7Very high89 Ų8967.8 Ų67.842%0.41634%0.339SS..Hα-helixtrans-63.6-45.1174.1-72.4175.1179.400111.6L16 A22 K23 N24 Y107L16-E20 WeakPolarHBondContact O-CB 3.44Å; L16-E20 WeakPolarHBondContact O-CG 3.5Å; L16-E20 PolarHBondContact O-N 3.4Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 2.86Å; E20-K23 PolarHBondContact O-N 3.25Å; E20-N24 WeakPolarHBondContact O-CB 3.47Å; E20-N24 VanDerWaalsContact O-CG 3.27Å; E20-N24 PolarHBondContact O-N 3.15Å; E20-N24 PolarHBondContact O-ND2 3.17Å; E20-Y107 HydrophobicContact CG-CE2 3.92Å
21N93.1Very high92.6Very high31 Ų3167.2 Ų67.217%0.16633%0.33CS..Hα-helixtrans-59-42.2174.9-77.1-46.9000112.1Y17 N24 G25 L26Y17-N21 VanDerWaalsContact CE1-ND2 3.27Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.28Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.34Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.18Å; Y17-N21 WeakPolarHBondContact O-CB 3.18Å; Y17-N21 VanDerWaalsContact O-CG 3.23Å; Y17-N21 PolarHBondContact O-N 2.99Å; Y17-N21 VanDerWaalsContact O-N 3.12Å; Y17-N21 PolarHBondContact O-ND2 3.07Å; N21-N24 PolarHBondContact O-N 2.77Å; N21-G25 PolarHBondContact O-N 3.49Å; N21-L26 HydrophobicContact CB-CB 4.37Å; N21-L26 HydrophobicContact CB-CD1 4.29Å; N21-L26 WeakPolarHBondContact O-CB 3.46Å; N21-L26 PolarHBondContact O-N 3.18Å; N21-L26 WeakPolarHBondContact OD1-CD1 3.42Å
22A91.2Very high92.5Very high16 Ų1672.8 Ų72.813%0.13236%0.36CS..Hα-helixtrans-63.6-44.8175.200000112.5R18 F19 E20 N24 G25 F28 L100 L103R18-A22 WeakPolarHBondContact O-CB 3.46Å; R18-A22 PolarHBondContact O-N 3.45Å; F19-A22 PolarHBondContact O-N 3.15Å; E20-A22 VanDerWaalsContact C-N 3.31Å; E20-A22 PolarHBondContact O-N 2.86Å; A22-N24 VanDerWaalsContact C-N 3.29Å; A22-N24 PolarHBondContact O-N 2.61Å; A22-G25 PolarHBondContact O-N 3.37Å; A22-F28 HydrophobicContact CB-CE1 3.81Å; A22-L100 HydrophobicContact CB-CB 3.91Å; A22-L100 HydrophobicContact CB-CD2 4Å; A22-L100 HydrophobicContact CB-CG 4.37Å; A22-L103 HydrophobicContact CB-CD1 3.94Å
23K89.9Confident92.4Very high99 Ų9975 Ų7543%0.4337%0.371SS..Hα-helixtrans-63.5-32.7176.3-73.9-69.5-178-173.10113F19 E20 G25 L103 Y107F19-K23 WeakPolarHBondContact O-CG 3.39Å; F19-K23 PolarHBondContact O-N 3.3Å; E20-K23 PolarHBondContact O-N 3.25Å; K23-G25 PolarHBondContact O-N 3Å; K23-L103 PolarHBondContact NZ-O 3Å; K23-Y107 HydrophobicContact CG-CD1 4.33Å; K23-Y107 HydrophobicContact CG-CE1 4.22Å
24N91.7Very high92.4Very high121 Ų12174.5 Ų74.565%0.64737%0.374SS*.THydrogen-bonded Turntrans-77.74.5174.4-68.5-28.8000113.7E20 N21 A22 L26E20-N24 WeakPolarHBondContact O-CB 3.47Å; E20-N24 VanDerWaalsContact O-CG 3.27Å; E20-N24 PolarHBondContact O-N 3.15Å; E20-N24 PolarHBondContact O-ND2 3.17Å; N21-N24 PolarHBondContact O-N 2.77Å; A22-N24 VanDerWaalsContact C-N 3.29Å; A22-N24 PolarHBondContact O-N 2.61Å; N24-L26 HydrophobicContact CB-CD1 4.29Å; N24-L26 HydrophobicContact CB-CG 4.24Å; N24-L26 PolarHBondContact O-N 3.02Å
25G88Confident92.5Very high69 Ų6974.8 Ų74.871%0.71138%0.375SS*.THydrogen-bonded Turntrans69.517.4179.800000114.2N21 A22 K23N21-G25 PolarHBondContact O-N 3.49Å; A22-G25 PolarHBondContact O-N 3.37Å; K23-G25 PolarHBondContact O-N 3Å
26L90.8Very high92.5Very high92 Ų9278.8 Ų78.848%0.48241%0.408SS..  trans-75.2149.1178.4-63.8170.7000110.8N21 N24 F28N21-L26 HydrophobicContact CB-CB 4.37Å; N21-L26 HydrophobicContact CB-CD1 4.29Å; N21-L26 WeakPolarHBondContact O-CB 3.46Å; N21-L26 PolarHBondContact O-N 3.18Å; N21-L26 WeakPolarHBondContact OD1-CD1 3.42Å; N24-L26 HydrophobicContact CB-CD1 4.29Å; N24-L26 HydrophobicContact CB-CG 4.24Å; N24-L26 PolarHBondContact O-N 3.02Å; L26-F28 PolarHBondContact O-N 3.2Å
27K90Very high92.5Very high176 Ų17678.6 Ų78.677%0.76541%0.407SS*.  trans-60.9129.8-176.9-178.7-179.9-179.1178.20111.3E29K27-E29 PolarHBondContact O-N 3.48Å; K27-E29 VanDerWaalsContact O-N 3.11Å
28F91.1Very high92.5Very high58 Ų5877.3 Ų77.325%0.25440%0.404SS..  trans-62.6113.8175.9-51.6-44.4000112.2A22 L26 R52 S53 L100 E101A22-F28 HydrophobicContact CB-CE1 3.81Å; L26-F28 PolarHBondContact O-N 3.2Å; F28-R52 HydrophobicContact CB-CB 3.82Å; F28-R52 WeakPolarHBondContact CB-O 3.27Å; F28-R52 WeakPolarHBondContact O-CD 3.47Å; F28-S53 VanDerWaalsContact CE2-CB 3.41Å; F28-L100 HydrophobicContact CD1-CB 4.18Å; F28-L100 HydrophobicContact CD1-CD1 3.62Å; F28-L100 HydrophobicContact CE1-CB 3.65Å; F28-L100 HydrophobicContact CE1-CD1 3.96Å; F28-L100 HydrophobicContact CE1-CG 4.46Å; F28-L100 HydrophobicContact CG-CD1 4.23Å; F28-L100 HydrophobicContact CZ-CB 3.95Å; F28-E101 HydrophobicContact CE2-CG 4.04Å; F28-E101 HydrophobicContact CZ-CG 4.13Å
29E88.8Confident92.5Very high113 Ų11375.6 Ų75.653%0.52840%0.398SS..  trans-84.4143.9177-60.9-170.9142.300111.3R18 K27 F31 S47R18-E29 IonicContact CZ-OE2 3.94Å; R18-E29 IonicContact NH1-OE2 2.85Å; R18-E29 PolarHBondContact NH1-OE2 3.41Å; R18-E29 IonicContact NH2-OE2 2.86Å; K27-E29 PolarHBondContact O-N 3.48Å; K27-E29 VanDerWaalsContact O-N 3.11Å; E29-F31 PolarHBondContact O-N 3.06Å; E29-S47 PolarHBondContact O-OG 2.98Å
30K90.9Very high92.4Very high170 Ų17077.6 Ų77.674%0.73942%0.42SS*.  trans-74.9124.7167.7-177.7-174.9178.9-176.20108.5S47K30-S47 WeakPolarHBondContact CA-OG 3.29Å
31F92.8Very high92.5Very high21 Ų2173.4 Ų73.49%0.09240%0.4CS..  trans-133.8159.7170.875.4-82.4000111.8T14 R18 E29 L45 R46 S47 I55T14-F31 HydrophobicContact CG2-CE2 4.4Å; R18-F31 HydrophobicContact CG-CE1 4.2Å; R18-F31 HydrophobicContact CG-CZ 4.42Å; E29-F31 PolarHBondContact O-N 3.06Å; F31-L45 HydrophobicContact CE2-CB 4.03Å; F31-R46 WeakPolarHBondContact O-CA 3.46Å; F31-S47 VanDerWaalsContact CD1-OG 3.29Å; F31-S47 WeakPolarHBondContact CD1-OG 3.06Å; F31-S47 PolarHBondContact N-OG 2.95Å; F31-S47 PolarHBondContact O-N 3.25Å; F31-I55 HydrophobicContact CE1-CD1 3.74Å; F31-I55 HydrophobicContact CE1-CG1 3.82Å; F31-I55 HydrophobicContact CE1-CG2 4.47Å; F31-I55 HydrophobicContact CZ-CB 4.47Å; F31-I55 HydrophobicContact CZ-CD1 3.83Å; F31-I55 HydrophobicContact CZ-CG1 3.99Å; F31-I55 HydrophobicContact CZ-CG2 3.79Å
32N93.9Very high92.7Very high117 Ų11775.1 Ų75.163%0.62641%0.409SS*.EExtended strand (participates in β ladder)trans-153.2122.2172.4-177.917.1000107.4L45 R46N32-L45 CarbonylContact C-O 3.53Å; N32-L45 WeakPolarHBondContact CA-O 3.37Å; N32-R46 HydrophobicContact CB-CB 4.24Å
33Q94.7Very high92.9Very high74 Ų7474.4 Ų74.435%0.34640%0.402SS..EExtended strand (participates in β ladder)trans-141.9126.4-173.5-172.6173.7-8.900109.4L35 L45Q33-L35 HydrophobicContact CG-CD2 4.28Å; Q33-L35 HydrophobicContact CG-CG 4.21Å; Q33-L45 PolarHBondContact N-O 3.15Å; Q33-L45 PolarHBondContact O-N 3.36Å
34T95.9Very high93.2Very high85 Ų8572 Ų7252%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-102127.4173.5-58.80000108.5I42 Y43 H44T34-I42 HydrophobicContact CG2-CG2 3.61Å; T34-Y43 CarbonylContact C-O 3.29Å; T34-Y43 WeakPolarHBondContact CA-O 3.49Å; T34-H44 PolarHBondContact OG1-ND1 3.05Å; T34-H44 VanDerWaalsContact OG1-ND1 3.12Å
35L95.8Very high93.4Very high26 Ų2666.2 Ų66.214%0.13636%0.362CS..EExtended strand (participates in β ladder)trans-122.3141.1-179.8-67171.7000109A10 V11 Q33 Y43 L45A10-L35 HydrophobicContact CB-CD1 3.79Å; A10-L35 HydrophobicContact CB-CD2 3.93Å; A10-L35 HydrophobicContact CB-CG 4.46Å; V11-L35 HydrophobicContact CG2-CD1 3.83Å; Q33-L35 HydrophobicContact CG-CD2 4.28Å; Q33-L35 HydrophobicContact CG-CG 4.21Å; L35-Y43 PolarHBondContact N-O 3.16Å; L35-Y43 PolarHBondContact O-N 3.3Å; L35-L45 HydrophobicContact CD1-CD1 4.4Å; L35-L45 HydrophobicContact CD1-CD2 4.47Å
36A95Very high93.7Very high83 Ų8366.3 Ų66.369%0.68634%0.341SS*.EExtended strand (participates in β ladder)trans-100.3153.217400000110.8
37D95.2Very high93.8Very high36 Ų3662.3 Ų62.319%0.19332%0.321CS..  trans-132.6175.4171.6-162.7-61.5000108.4N8 A41 Y43 K118N8-D37 PolarHBondContact ND2-OD2 3.31Å; D37-A41 HydrophobicContact CB-CB 4.06Å; D37-A41 PolarHBondContact N-O 2.9Å; D37-Y43 HydrophobicContact CB-CD2 4.2Å; D37-Y43 HydrophobicContact CB-CE2 3.86Å; D37-K118 HydrophobicContact CB-CD 4.45Å; D37-K118 VanDerWaalsContact OD1-CD 3.3Å; D37-K118 WeakPolarHBondContact OD1-CD 3.48Å; D37-K118 IonicContact OD1-NZ 2.63Å; D37-K118 PolarHBondContact OD1-NZ 2.84Å
38F93.7Very high93.9Very high101 Ų10155.9 Ų55.944%0.44330%0.296SS..G310 helixtrans-62.1167.8176.6-56.5-78.6000111.7G40 A41 K118 N253F38-G40 PolarHBondContact O-N 2.74Å; F38-G40 VanDerWaalsContact O-N 3.15Å; F38-A41 WeakPolarHBondContact O-CB 3.41Å; F38-A41 PolarHBondContact O-N 2.83Å; F38-K118 PolarHBondContact O-NZ 2.82Å; F38-N253 HydrophobicContact CB-CB 4.5Å; F38-N253 VanDerWaalsContact CB-ND2 3.34Å; F38-N253 WeakPolarHBondContact CB-ND2 3.24Å; F38-N253 HydrophobicContact CD1-CB 4.32Å; F38-N253 HydrophobicContact CG-CB 4.21Å
39D93Very high93.4Very high10 Ų1057.3 Ų57.35%0.05331%0.311CS..G310 helixtrans63.220.3174.5-39.9-56.1000114.1A41 K118 R151 N253D39-A41 VanDerWaalsContact C-N 3.25Å; D39-A41 PolarHBondContact O-N 2.85Å; D39-K118 WeakPolarHBondContact OD2-CE 3.41Å; D39-K118 IonicContact OD2-NZ 3.49Å; D39-K118 PolarHBondContact OD2-NZ 3.44Å; D39-R151 HydrophobicContact CB-CG 4.4Å; D39-N253 PolarHBondContact OD1-ND2 2.82Å; D39-N253 VanDerWaalsContact OD1-ND2 3.15Å; D39-N253 PolarHBondContact OD1-OD1 3.41Å; D39-N253 PolarHBondContact OD2-ND2 3.24Å
40G92.1Very high93.2Very high43 Ų4360.5 Ų60.544%0.44333%0.332SS..G310 helixtrans76.211.1178.900000114.1F38F38-G40 PolarHBondContact O-N 2.74Å; F38-G40 VanDerWaalsContact O-N 3.15Å
41A94.9Very high93.2Very high1 Ų154.7 Ų54.71%0.00831%0.309CS..  trans-69.3132.3175.800000111.1D37 F38 D39 L61 K118D37-A41 HydrophobicContact CB-CB 4.06Å; D37-A41 PolarHBondContact N-O 2.9Å; F38-A41 WeakPolarHBondContact O-CB 3.41Å; F38-A41 PolarHBondContact O-N 2.83Å; D39-A41 VanDerWaalsContact C-N 3.25Å; D39-A41 PolarHBondContact O-N 2.85Å; A41-L61 HydrophobicContact CB-CD2 3.36Å; A41-K118 HydrophobicContact CB-CD 4.13Å
42I96.5Very high93Very high67 Ų6760.3 Ų60.334%0.34433%0.329SS..EExtended strand (participates in β ladder)trans-122.2128.8178.9-58.3172.4000108.6T34 H44 I59 T60T34-I42 HydrophobicContact CG2-CG2 3.61Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.43Å; I42-I59 CarbonylContact O-C 3.48Å; I42-I59 WeakPolarHBondContact O-CA 3.47Å; I42-T60 PolarHBondContact N-O 3.22Å; I42-T60 VanDerWaalsContact N-O 3.13Å; I42-T60 PolarHBondContact O-N 2.86Å
43Y96.8Very high92.9Very high0 Ų054.9 Ų54.90%030%0.3CS..EExtended strand (participates in β ladder)trans-101.9136.8173.3-73.6-92.1000110.3N8 V11 T34 L35 D37 S58 I59 L117 K118N8-Y43 HydrophobicContact CB-CE2 4.15Å; V11-Y43 HydrophobicContact CG2-CD1 3.94Å; V11-Y43 HydrophobicContact CG2-CD2 4.29Å; V11-Y43 HydrophobicContact CG2-CE1 4.25Å; V11-Y43 HydrophobicContact CG2-CG 3.94Å; T34-Y43 CarbonylContact C-O 3.29Å; T34-Y43 WeakPolarHBondContact CA-O 3.49Å; L35-Y43 PolarHBondContact N-O 3.16Å; L35-Y43 PolarHBondContact O-N 3.3Å; D37-Y43 HydrophobicContact CB-CD2 4.2Å; D37-Y43 HydrophobicContact CB-CE2 3.86Å; Y43-S58 CarbonylContact C-O 3.54Å; Y43-S58 WeakPolarHBondContact CA-O 3.3Å; Y43-I59 HydrophobicContact CD1-CB 4.04Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 4.05Å; Y43-I59 HydrophobicContact CD2-CD1 4.49Å; Y43-I59 HydrophobicContact CD2-CG1 4.41Å; Y43-I59 HydrophobicContact CE1-CB 4.13Å; Y43-I59 HydrophobicContact CE1-CD1 3.75Å; Y43-I59 HydrophobicContact CE1-CG1 4.01Å; Y43-I59 HydrophobicContact CE2-CD1 3.95Å; Y43-I59 HydrophobicContact CE2-CG1 4.36Å; Y43-I59 HydrophobicContact CG-CG1 4.27Å; Y43-L117 HydrophobicContact CE1-CB 4.15Å; Y43-L117 HydrophobicContact CE1-CD2 4.32Å; Y43-K118 WeakPolarHBondContact OH-CB 3.46Å; Y43-K118 PolarHBondContact OH-N 3.44Å
44H96.1Very high92.9Very high49 Ų4954 Ų5423%0.22730%0.296CS..EExtended strand (participates in β ladder)trans-120.6109.4172.8-63.9-75.2000109T34 I42 S58T34-H44 PolarHBondContact OG1-ND1 3.05Å; T34-H44 VanDerWaalsContact OG1-ND1 3.12Å; I42-H44 WeakPolarHBondContact CG2-NE2 3.43Å; H44-S58 PolarHBondContact N-O 2.99Å; H44-S58 PolarHBondContact O-N 3.09Å
45L95.7Very high92.8Very high0 Ų050 Ų500%027%0.271CS..EExtended strand (participates in β ladder)trans-107.9118.2179-78.567000108.7V11 T14 L15 F31 N32 Q33 L35 L56 V57V11-L45 HydrophobicContact CB-CD2 4.5Å; V11-L45 HydrophobicContact CG1-CD2 4.24Å; V11-L45 HydrophobicContact CG2-CD1 4.04Å; V11-L45 HydrophobicContact CG2-CD2 4.45Å; T14-L45 HydrophobicContact CG2-CD2 3.86Å; L15-L45 HydrophobicContact CG-CD2 4.42Å; F31-L45 HydrophobicContact CE2-CB 4.03Å; N32-L45 CarbonylContact C-O 3.53Å; N32-L45 WeakPolarHBondContact CA-O 3.37Å; Q33-L45 PolarHBondContact N-O 3.15Å; Q33-L45 PolarHBondContact O-N 3.36Å; L35-L45 HydrophobicContact CD1-CD1 4.4Å; L35-L45 HydrophobicContact CD1-CD2 4.47Å; L45-L56 WeakPolarHBondContact CA-O 3.42Å; L45-V57 HydrophobicContact CD1-CG1 4.06Å; L45-V57 HydrophobicContact CG-CG1 4.14Å; L45-V57 HydrophobicContact CG-CG2 4.28Å
46R93.9Very high92.7Very high70 Ų7049.3 Ų49.326%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-148.1154.7-176.968.8-179.4-166.9-163-7.9113.6F31 N32 L56 E89F31-R46 WeakPolarHBondContact O-CA 3.46Å; N32-R46 HydrophobicContact CB-CB 4.24Å; R46-L56 HydrophobicContact CG-CB 4.09Å; R46-L56 HydrophobicContact CG-CD2 4.38Å; R46-L56 PolarHBondContact N-O 3.24Å; R46-L56 PolarHBondContact O-N 2.89Å; R46-E89 IonicContact CZ-OE1 3.61Å; R46-E89 IonicContact CZ-OE2 2.74Å; R46-E89 IonicContact NE-OE1 2.7Å; R46-E89 IonicContact NE-OE2 2.61Å; R46-E89 IonicContact NH1-OE1 3.85Å; R46-E89 PolarHBondContact NH1-OE1 2.76Å; R46-E89 IonicContact NH1-OE2 3.71Å; R46-E89 IonicContact NH2-OE1 3.59Å; R46-E89 PolarHBondContact NH2-OE1 3.37Å; R46-E89 IonicContact NH2-OE2 3.23Å; R46-E89 PolarHBondContact NH2-OE2 3.25Å
47S93.4Very high92.8Very high9 Ų945.3 Ų45.36%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-67.3144.5161.6-45.20000110.2E29 K30 F31 K54E29-S47 PolarHBondContact O-OG 2.98Å; K30-S47 WeakPolarHBondContact CA-OG 3.29Å; F31-S47 VanDerWaalsContact CD1-OG 3.29Å; F31-S47 WeakPolarHBondContact CD1-OG 3.06Å; F31-S47 PolarHBondContact N-OG 2.95Å; F31-S47 PolarHBondContact O-N 3.25Å; S47-K54 WeakPolarHBondContact CA-O 3.32Å
48V92.2Very high92.8Very high40 Ų4043.6 Ų43.624%0.24223%0.225CC..EExtended strand (participates in β ladder)trans-63.6132.9175.7173.50000110N50 D51 K54 L56 L97V48-N50 PolarHBondContact O-N 2.81Å; V48-D51 HydrophobicContact CB-CB 4.31Å; V48-D51 WeakPolarHBondContact CB-O 3.42Å; V48-D51 HydrophobicContact CG1-CB 4.25Å; V48-D51 PolarHBondContact N-O 2.8Å; V48-D51 CarbonylContact O-C 3.55Å; V48-D51 PolarHBondContact O-N 3.05Å; V48-K54 HydrophobicContact CB-CB 4.16Å; V48-K54 HydrophobicContact CG2-CB 3.68Å; V48-K54 PolarHBondContact N-O 2.99Å; V48-L56 HydrophobicContact CG2-CB 4.41Å; V48-L97 HydrophobicContact CG2-CD1 3.78Å
49P80.6Confident93Very high89 Ų8938.8 Ų38.858%0.57820%0.204SC*.THydrogen-bonded Turntrans-62.5123.8172.625.7-32.8000109.4
50N84.9Confident93.1Very high180 Ų18039.6 Ų39.696%0.96321%0.21SC*.THydrogen-bonded Turntrans86-16.7-171.6-49-31.9000116.6V48V48-N50 PolarHBondContact O-N 2.81Å
51D89.9Confident93.3Very high47 Ų4737.8 Ų37.825%0.25119%0.189SC..EExtended strand (participates in β ladder)trans-133.3110.2-179.7-168.5-6.2000112V48 S53 K54V48-D51 HydrophobicContact CB-CB 4.31Å; V48-D51 WeakPolarHBondContact CB-O 3.42Å; V48-D51 HydrophobicContact CG1-CB 4.25Å; V48-D51 PolarHBondContact N-O 2.8Å; V48-D51 CarbonylContact O-C 3.55Å; V48-D51 PolarHBondContact O-N 3.05Å; D51-S53 PolarHBondContact OD1-N 3.19Å; D51-S53 VanDerWaalsContact OD1-N 3.09Å; D51-S53 PolarHBondContact OD1-OG 2.94Å; D51-K54 WeakPolarHBondContact OD2-CD 3.41Å; D51-K54 WeakPolarHBondContact OD2-CG 3.28Å; D51-K54 IonicContact OD2-NZ 3.54Å; D51-K54 PolarHBondContact OD2-NZ 3.46Å
52R89.4Confident93.2Very high139 Ų13944.1 Ų44.153%0.52522%0.223SC..EExtended strand (participates in β ladder)trans-85.2-18.4-177.3-61.7-175.1-1671536113.3F28 K54F28-R52 HydrophobicContact CB-CB 3.82Å; F28-R52 WeakPolarHBondContact CB-O 3.27Å; F28-R52 WeakPolarHBondContact O-CD 3.47Å; R52-K54 PolarHBondContact O-N 2.65Å
53S91.6Very high93Very high3 Ų341.3 Ų41.32%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-75.1-10.717462.30000112.2F28 D51 L100 E101F28-S53 VanDerWaalsContact CE2-CB 3.41Å; D51-S53 PolarHBondContact OD1-N 3.19Å; D51-S53 VanDerWaalsContact OD1-N 3.09Å; D51-S53 PolarHBondContact OD1-OG 2.94Å; S53-L100 WeakPolarHBondContact O-CB 3.4Å; S53-L100 WeakPolarHBondContact O-CG 3.48Å; S53-L100 PolarHBondContact O-N 2.88Å; S53-E101 WeakPolarHBondContact CB-OE1 3.41Å; S53-E101 PolarHBondContact OG-OE1 2.69Å
54K93.4Very high92.9Very high57 Ų5742 Ų4225%0.24821%0.212CC..EExtended strand (participates in β ladder)trans-107128.5179.3-62.5-173179.474.50112.8S47 V48 D51 R52 L97 Y98S47-K54 WeakPolarHBondContact CA-O 3.32Å; V48-K54 HydrophobicContact CB-CB 4.16Å; V48-K54 HydrophobicContact CG2-CB 3.68Å; V48-K54 PolarHBondContact N-O 2.99Å; D51-K54 WeakPolarHBondContact OD2-CD 3.41Å; D51-K54 WeakPolarHBondContact OD2-CG 3.28Å; D51-K54 IonicContact OD2-NZ 3.54Å; D51-K54 PolarHBondContact OD2-NZ 3.46Å; R52-K54 PolarHBondContact O-N 2.65Å; K54-L97 HydrophobicContact CB-CD1 4.03Å; K54-L97 HydrophobicContact CD-CD2 4.37Å; K54-Y98 WeakPolarHBondContact CA-O 3.4Å
55I94.2Very high92.7Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-103.4130.9173.4-63.1-174.5000109.3L15 R18 F31 V57 L97 Y98 L100L15-I55 HydrophobicContact CD2-CG2 4.01Å; R18-I55 HydrophobicContact CB-CD1 3.69Å; R18-I55 HydrophobicContact CG-CD1 4.21Å; F31-I55 HydrophobicContact CE1-CD1 3.74Å; F31-I55 HydrophobicContact CE1-CG1 3.82Å; F31-I55 HydrophobicContact CE1-CG2 4.47Å; F31-I55 HydrophobicContact CZ-CB 4.47Å; F31-I55 HydrophobicContact CZ-CD1 3.83Å; F31-I55 HydrophobicContact CZ-CG1 3.99Å; F31-I55 HydrophobicContact CZ-CG2 3.79Å; I55-V57 HydrophobicContact CG2-CG2 4.05Å; I55-L97 WeakPolarHBondContact O-CA 3.39Å; I55-Y98 PolarHBondContact N-O 3.41Å; I55-Y98 PolarHBondContact O-N 3.02Å; I55-L100 HydrophobicContact CD1-CD1 4.04Å; I55-L100 HydrophobicContact CD1-CD2 3.75Å; I55-L100 HydrophobicContact CD1-CG 4.16Å; I55-L100 HydrophobicContact CG1-CD1 4.08Å; I55-L100 HydrophobicContact CG1-CD2 4.25Å; I55-L100 HydrophobicContact CG1-CG 4.17Å
56L95Very high92.6Very high11 Ų1149.3 Ų49.36%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-104.5127.6171.5-167.170.9000109.3L45 R46 V48 L85 E89 L96 L97L45-L56 WeakPolarHBondContact CA-O 3.42Å; R46-L56 HydrophobicContact CG-CB 4.09Å; R46-L56 HydrophobicContact CG-CD2 4.38Å; R46-L56 PolarHBondContact N-O 3.24Å; R46-L56 PolarHBondContact O-N 2.89Å; V48-L56 HydrophobicContact CG2-CB 4.41Å; L56-L85 HydrophobicContact CD1-CD1 3.48Å; L56-L85 VanDerWaalsContact CD1-CD1 3.48Å; L56-E89 HydrophobicContact CD2-CB 4.26Å; L56-E89 HydrophobicContact CD2-CG 4.49Å; L56-E89 WeakPolarHBondContact CD2-OE2 3.19Å; L56-L96 WeakPolarHBondContact CA-O 3.43Å; L56-L97 HydrophobicContact CD1-CD1 4.24Å
57V96.2Very high92.6Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-118.198.2174.3-175.90000107.6V11 L15 L45 I55 L96 Y98V11-V57 HydrophobicContact CG1-CG1 4.42Å; L15-V57 HydrophobicContact CD1-CG2 4.13Å; L15-V57 HydrophobicContact CD2-CG2 3.78Å; L15-V57 HydrophobicContact CG-CG2 4.48Å; L45-V57 HydrophobicContact CD1-CG1 4.06Å; L45-V57 HydrophobicContact CG-CG1 4.14Å; L45-V57 HydrophobicContact CG-CG2 4.28Å; I55-V57 HydrophobicContact CG2-CG2 4.05Å; V57-L96 HydrophobicContact CB-CB 4.34Å; V57-L96 PolarHBondContact N-O 2.84Å; V57-L96 PolarHBondContact O-N 3.3Å; V57-Y98 HydrophobicContact CB-CE2 4.41Å; V57-Y98 HydrophobicContact CG2-CD2 3.91Å; V57-Y98 HydrophobicContact CG2-CE2 3.9Å
58S96.3Very high92.6Very high0 Ų049.9 Ų49.90%025%0.251CS..EExtended strand (participates in β ladder)trans-101.3147179.1-60.50000110.8Y43 H44 E89 C92 V94 S95Y43-S58 CarbonylContact C-O 3.54Å; Y43-S58 WeakPolarHBondContact CA-O 3.3Å; H44-S58 PolarHBondContact N-O 2.99Å; H44-S58 PolarHBondContact O-N 3.09Å; S58-E89 WeakPolarHBondContact CB-OE2 3.44Å; S58-E89 WeakPolarHBondContact OG-CB 3.26Å; S58-E89 PolarHBondContact OG-OE2 2.95Å; S58-C92 VanDerWaalsContact CB-SG 3.55Å; S58-V94 CarbonylContact C-O 3.57Å; S58-V94 VanDerWaalsContact CA-O 3.3Å; S58-V94 WeakPolarHBondContact CA-O 3.43Å; S58-S95 WeakPolarHBondContact CB-OG 3.39Å; S58-S95 WeakPolarHBondContact OG-CB 3.47Å; S58-S95 PolarHBondContact OG-OG 2.9Å
59I96.7Very high92.5Very high0 Ų055 Ų550%027%0.272CS..EExtended strand (participates in β ladder)trans-126.2141.3169.3-165.5-179.6000109.9I42 Y43 L61 S93 V94 L117 K118I42-I59 CarbonylContact O-C 3.48Å; I42-I59 WeakPolarHBondContact O-CA 3.47Å; Y43-I59 HydrophobicContact CD1-CB 4.04Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 4.05Å; Y43-I59 HydrophobicContact CD2-CD1 4.49Å; Y43-I59 HydrophobicContact CD2-CG1 4.41Å; Y43-I59 HydrophobicContact CE1-CB 4.13Å; Y43-I59 HydrophobicContact CE1-CD1 3.75Å; Y43-I59 HydrophobicContact CE1-CG1 4.01Å; Y43-I59 HydrophobicContact CE2-CD1 3.95Å; Y43-I59 HydrophobicContact CE2-CG1 4.36Å; Y43-I59 HydrophobicContact CG-CG1 4.27Å; I59-L61 HydrophobicContact CD1-CD1 4.27Å; I59-L61 HydrophobicContact CD1-CD2 3.97Å; I59-L61 HydrophobicContact CD1-CG 4.08Å; I59-L61 HydrophobicContact CG1-CD2 4.34Å; I59-L61 HydrophobicContact CG1-CG 4.25Å; I59-S93 WeakPolarHBondContact O-CA 3.47Å; I59-S93 WeakPolarHBondContact O-CB 3.29Å; I59-S93 PolarHBondContact O-N 3.27Å; I59-V94 HydrophobicContact CG2-CB 3.89Å; I59-V94 HydrophobicContact CG2-CG2 4.43Å; I59-V94 PolarHBondContact N-O 3.39Å; I59-V94 PolarHBondContact O-N 3.08Å; I59-V94 VanDerWaalsContact O-N 3.16Å; I59-L117 HydrophobicContact CB-CD2 3.91Å; I59-L117 HydrophobicContact CB-CG 4.48Å; I59-L117 HydrophobicContact CG2-CD2 3.55Å; I59-L117 HydrophobicContact CG2-CG 3.88Å; I59-K118 HydrophobicContact CD1-CB 3.91Å
60T96.2Very high93Very high27 Ų2751.8 Ų51.817%0.16625%0.249CC..EExtended strand (participates in β ladder)trans-114.3123.3173.9-55.50000108.9I42I42-T60 PolarHBondContact N-O 3.22Å; I42-T60 VanDerWaalsContact N-O 3.13Å; I42-T60 PolarHBondContact O-N 2.86Å
61L95Very high93.3Very high4 Ų443.9 Ų43.92%0.02121%0.21CC..  trans-130.4118.8177.5-61.6173.1000108.2A41 I59 F63 F64 S93 C121A41-L61 HydrophobicContact CB-CD2 3.36Å; I59-L61 HydrophobicContact CD1-CD1 4.27Å; I59-L61 HydrophobicContact CD1-CD2 3.97Å; I59-L61 HydrophobicContact CD1-CG 4.08Å; I59-L61 HydrophobicContact CG1-CD2 4.34Å; I59-L61 HydrophobicContact CG1-CG 4.25Å; L61-F63 HydrophobicContact CB-CZ 4.4Å; L61-F63 HydrophobicContact CD2-CZ 4.07Å; L61-F63 PolarHBondContact O-N 3.25Å; L61-F64 HydrophobicContact CB-CB 4.14Å; L61-F64 HydrophobicContact CD1-CD2 4.26Å; L61-F64 WeakPolarHBondContact O-CB 3.18Å; L61-F64 PolarHBondContact O-N 3.03Å; L61-F64 VanDerWaalsContact O-N 3.1Å; L61-S93 PolarHBondContact N-OG 3.43Å; L61-S93 PolarHBondContact O-OG 2.95Å; L61-C121 HydrophobicContact CD1-CB 3.78Å
62N93.3Very high93.4Very high134 Ų13441.7 Ų41.772%0.71720%0.198SC*.THydrogen-bonded Turntrans-60.6-32.1-175-64.2-10.6000113
63F93.1Very high93.5Very high8 Ų837.9 Ų37.94%0.03519%0.188CC..THydrogen-bonded Turntrans-96.317.5-17951.7-88.7000113.3L61 Q65 E66 L67 F122 I148 H149 Y150L61-F63 HydrophobicContact CB-CZ 4.4Å; L61-F63 HydrophobicContact CD2-CZ 4.07Å; L61-F63 PolarHBondContact O-N 3.25Å; F63-Q65 VanDerWaalsContact C-N 3.26Å; F63-Q65 PolarHBondContact O-N 2.81Å; F63-E66 WeakPolarHBondContact CB-OE2 3.18Å; F63-E66 PolarHBondContact O-N 2.83Å; F63-L67 HydrophobicContact CD2-CD1 3.87Å; F63-L67 HydrophobicContact CD2-CG 4.14Å; F63-L67 HydrophobicContact CE2-CD1 3.83Å; F63-L67 PolarHBondContact O-N 2.95Å; F63-F122 HydrophobicContact CD2-CZ 4.39Å; F63-F122 AromaticContact CE2-CE1 3.95Å; F63-F122 HydrophobicContact CE2-CE1 3.95Å; F63-F122 AromaticContact CE2-CE2 3.66Å; F63-F122 HydrophobicContact CE2-CE2 3.66Å; F63-F122 AromaticContact CE2-CZ 3.29Å; F63-F122 HydrophobicContact CE2-CZ 3.29Å; F63-F122 HydrophobicContact CZ-CE1 4.47Å; F63-F122 AromaticContact CZ-CE2 3.69Å; F63-F122 HydrophobicContact CZ-CE2 3.69Å; F63-F122 AromaticContact CZ-CZ 3.45Å; F63-F122 HydrophobicContact CZ-CZ 3.45Å; F63-F122 VanDerWaalsContact CZ-CZ 3.45Å; F63-I148 HydrophobicContact CB-CG2 4.42Å; F63-I148 HydrophobicContact CD2-CG2 3.85Å; F63-I148 HydrophobicContact CG-CG2 4.36Å; F63-H149 WeakPolarHBondContact CB-O 3.49Å; F63-H149 WeakPolarHBondContact CD1-O 3.29Å; F63-Y150 WeakPolarHBondContact CE1-O 3.48Å
64F93.5Very high93.5Very high16 Ų1643.8 Ų43.87%0.0722%0.216CC..Hα-helixtrans-62.6-32.2-177.7-170.6-108.5000113.6L61 E66 L67 Q68 A72 L76 V94L61-F64 HydrophobicContact CB-CB 4.14Å; L61-F64 HydrophobicContact CD1-CD2 4.26Å; L61-F64 WeakPolarHBondContact O-CB 3.18Å; L61-F64 PolarHBondContact O-N 3.03Å; L61-F64 VanDerWaalsContact O-N 3.1Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.29Å; F64-L67 PolarHBondContact O-N 3.29Å; F64-Q68 WeakPolarHBondContact O-CB 3.36Å; F64-Q68 PolarHBondContact O-N 3.44Å; F64-A72 HydrophobicContact CE2-CB 4.13Å; F64-A72 HydrophobicContact CZ-CB 4.24Å; F64-L76 HydrophobicContact CE2-CD1 4.01Å; F64-L76 HydrophobicContact CZ-CD1 3.89Å; F64-V94 HydrophobicContact CD2-CG2 4.16Å; F64-V94 HydrophobicContact CE1-CG2 4.04Å; F64-V94 HydrophobicContact CE2-CG2 3.39Å; F64-V94 HydrophobicContact CZ-CG2 3.32Å
65Q93.1Very high93.5Very high154 Ų15441.7 Ų41.772%0.7221%0.208SC*.Hα-helixtrans-61-42.8179.1-66.4-178.6-9.200111.3F63 Q68 E69F63-Q65 VanDerWaalsContact C-N 3.26Å; F63-Q65 PolarHBondContact O-N 2.81Å; Q65-Q68 WeakPolarHBondContact O-CB 3.43Å; Q65-Q68 PolarHBondContact O-N 3.27Å; Q65-Q68 VanDerWaalsContact O-N 3.11Å; Q65-E69 PolarHBondContact O-N 3.09Å; Q65-E69 VanDerWaalsContact O-N 3.16Å
66E93.7Very high93.5Very high48 Ų4841.9 Ų41.922%0.22421%0.208CC..Hα-helixtrans-63.1-43.8175.9-54.6174.1153.600110.9F63 F64 Q68 E69 H70 I148 H149F63-E66 WeakPolarHBondContact CB-OE2 3.18Å; F63-E66 PolarHBondContact O-N 2.83Å; F64-E66 VanDerWaalsContact C-N 3.33Å; F64-E66 PolarHBondContact O-N 3.29Å; E66-Q68 VanDerWaalsContact C-N 3.26Å; E66-Q68 PolarHBondContact O-N 2.74Å; E66-E69 PolarHBondContact O-N 3.2Å; E66-H70 PolarHBondContact O-CD2 3.14Å; E66-H70 PolarHBondContact O-N 3.21Å; E66-I148 HydrophobicContact CB-CD1 3.84Å; E66-I148 WeakPolarHBondContact OE2-CA 3.49Å; E66-H149 IonicContact OE1-CE1 3.78Å; E66-H149 IonicContact OE1-CG 2.63Å; E66-H149 IonicContact OE1-ND1 2.66Å; E66-H149 PolarHBondContact OE1-ND1 3.01Å; E66-H149 PolarHBondContact OE2-N 3.25Å; E66-H149 IonicContact OE2-ND1 3.34Å
67L93.5Very high93.4Very high0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-62-33.7173.7-65.8177000112.5F63 F64 H70 G71 A72 C121 V125 I148F63-L67 HydrophobicContact CD2-CD1 3.87Å; F63-L67 HydrophobicContact CD2-CG 4.14Å; F63-L67 HydrophobicContact CE2-CD1 3.83Å; F63-L67 PolarHBondContact O-N 2.95Å; F64-L67 PolarHBondContact O-N 3.29Å; L67-H70 CarbonylContact O-C 3.59Å; L67-H70 VanDerWaalsContact O-C 3.29Å; L67-H70 WeakPolarHBondContact O-CA 3.39Å; L67-H70 PolarHBondContact O-N 3.13Å; L67-H70 VanDerWaalsContact O-N 3.1Å; L67-G71 PolarHBondContact O-N 3.47Å; L67-A72 HydrophobicContact CB-CB 4.15Å; L67-A72 WeakPolarHBondContact O-CB 3.46Å; L67-A72 PolarHBondContact O-N 3.01Å; L67-A72 VanDerWaalsContact O-N 3.17Å; L67-C121 HydrophobicContact CD1-CB 4.13Å; L67-V125 HydrophobicContact CD2-CB 4.27Å; L67-V125 HydrophobicContact CD2-CG1 3.95Å; L67-I148 HydrophobicContact CD2-CD1 3.99Å; L67-I148 HydrophobicContact CD2-CG1 4.39Å; L67-I148 HydrophobicContact CD2-CG2 4.21Å
68Q92.5Very high93.3Very high91 Ų9155.2 Ų55.243%0.42526%0.258SS..Hα-helixtrans-67-39.9178.9-171.1176.4-20.300112F64 Q65 E66 H70 G71 N73F64-Q68 WeakPolarHBondContact O-CB 3.36Å; F64-Q68 PolarHBondContact O-N 3.44Å; Q65-Q68 WeakPolarHBondContact O-CB 3.43Å; Q65-Q68 PolarHBondContact O-N 3.27Å; Q65-Q68 VanDerWaalsContact O-N 3.11Å; E66-Q68 VanDerWaalsContact C-N 3.26Å; E66-Q68 PolarHBondContact O-N 2.74Å; Q68-H70 PolarHBondContact O-N 2.92Å; Q68-G71 PolarHBondContact O-N 2.98Å; Q68-N73 WeakPolarHBondContact CG-ND2 3.29Å; Q68-N73 PolarHBondContact NE2-ND2 3.12Å; Q68-N73 VanDerWaalsContact NE2-ND2 3.15Å
69E91.4Very high93.2Very high148 Ų14857.4 Ų57.469%0.69227%0.268SS*.Hα-helixtrans-59.6-28.3170.3-63.6-179.8-171.400112.2Q65 E66 K128Q65-E69 PolarHBondContact O-N 3.09Å; Q65-E69 VanDerWaalsContact O-N 3.16Å; E66-E69 PolarHBondContact O-N 3.2Å; E69-K128 PolarHBondContact O-NZ 2.99Å
70H91.1Very high93.1Very high21 Ų2157.8 Ų57.810%0.09727%0.27CS..THydrogen-bonded Turntrans-91.115.7174.8-64.6-63.4000114.9E66 L67 Q68 V125 K128 F129 A146E66-H70 PolarHBondContact O-CD2 3.14Å; E66-H70 PolarHBondContact O-N 3.21Å; L67-H70 CarbonylContact O-C 3.59Å; L67-H70 VanDerWaalsContact O-C 3.29Å; L67-H70 WeakPolarHBondContact O-CA 3.39Å; L67-H70 PolarHBondContact O-N 3.13Å; L67-H70 VanDerWaalsContact O-N 3.1Å; Q68-H70 PolarHBondContact O-N 2.92Å; H70-V125 HydrophobicContact CB-CB 3.87Å; H70-V125 HydrophobicContact CB-CG2 3.8Å; H70-K128 HydrophobicContact CB-CD 4.31Å; H70-K128 WeakPolarHBondContact O-CD 3.5Å; H70-F129 AromaticContact ND1-CE2 3.82Å; H70-A146 WeakPolarHBondContact CE1-CB 3.43Å; H70-A146 VanDerWaalsContact NE2-CB 3.28Å; H70-A146 WeakPolarHBondContact NE2-CB 3.49Å
71G89.8Confident92.8Very high14 Ų1458.3 Ų58.314%0.14428%0.281CS..THydrogen-bonded Turntrans86.526.7168.600000115.2L67 Q68 N73 E74 V75L67-G71 PolarHBondContact O-N 3.47Å; Q68-G71 PolarHBondContact O-N 2.98Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.86Å; G71-E74 VanDerWaalsContact C-OE2 3.22Å; G71-E74 WeakPolarHBondContact CA-OE2 3.19Å; G71-E74 PolarHBondContact O-N 2.88Å; G71-V75 PolarHBondContact O-N 3.14Å
72A91.9Very high92.7Very high0 Ų066 Ų660%032%0.316CS..Hα-helixtrans-58-36.8177.700000113.3F64 L67 E74 V75 L76 A124F64-A72 HydrophobicContact CE2-CB 4.13Å; F64-A72 HydrophobicContact CZ-CB 4.24Å; L67-A72 HydrophobicContact CB-CB 4.15Å; L67-A72 WeakPolarHBondContact O-CB 3.46Å; L67-A72 PolarHBondContact O-N 3.01Å; L67-A72 VanDerWaalsContact O-N 3.17Å; A72-E74 PolarHBondContact O-N 3.01Å; A72-V75 PolarHBondContact O-N 2.91Å; A72-L76 HydrophobicContact CB-CD1 4.42Å; A72-L76 VanDerWaalsContact O-CB 3.31Å; A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 WeakPolarHBondContact O-CD1 3.39Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.63Å; A72-A124 VanDerWaalsContact CA-CB 3.49Å; A72-A124 HydrophobicContact CB-CB 4.18Å
73N92.4Very high92.7Very high60 Ų6062 Ų6232%0.32129%0.292SS..Hα-helixtrans-64.9-38.6-176-71.8-17.9000112.6Q68 G71 R77Q68-N73 WeakPolarHBondContact CG-ND2 3.29Å; Q68-N73 PolarHBondContact NE2-ND2 3.12Å; Q68-N73 VanDerWaalsContact NE2-ND2 3.15Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-N73 PolarHBondContact O-N 2.86Å; N73-R77 WeakPolarHBondContact O-CB 3.3Å; N73-R77 PolarHBondContact O-N 3.4Å
74E92Very high92.8Very high127 Ų12763.3 Ų63.359%0.59330%0.299SS*.Hα-helixtrans-67.4-46.3179.8-67.167.8-153.100110.8G71 A72 R77 R78G71-E74 VanDerWaalsContact C-OE2 3.22Å; G71-E74 WeakPolarHBondContact CA-OE2 3.19Å; G71-E74 PolarHBondContact O-N 2.88Å; A72-E74 PolarHBondContact O-N 3.01Å; E74-R77 PolarHBondContact O-N 2.82Å; E74-R78 WeakPolarHBondContact O-CB 3.36Å; E74-R78 PolarHBondContact O-N 2.9Å
75V92.5Very high92.7Very high13 Ų1365.3 Ų65.38%0.07931%0.31CS..Hα-helixtrans-67.3-43.8178.1171.50000111.4G71 A72 R77 R78 E79 A124G71-V75 PolarHBondContact O-N 3.14Å; A72-V75 PolarHBondContact O-N 2.91Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 2.88Å; V75-R78 WeakPolarHBondContact O-CB 3.36Å; V75-R78 PolarHBondContact O-N 2.75Å; V75-E79 WeakPolarHBondContact O-CG 3.48Å; V75-E79 PolarHBondContact O-N 2.85Å; V75-A124 HydrophobicContact CB-CB 3.97Å; V75-A124 HydrophobicContact CG1-CB 4.4Å; V75-A124 HydrophobicContact CG2-CB 3.88Å
76L94.3Very high92.5Very high3 Ų365.6 Ų65.62%0.01632%0.316CS..Hα-helixtrans-62.5-40.5175.4-68.6169.4000111.6F64 A72 R78 E79 Y80 L84 V94 L117 N120F64-L76 HydrophobicContact CE2-CD1 4.01Å; F64-L76 HydrophobicContact CZ-CD1 3.89Å; A72-L76 HydrophobicContact CB-CD1 4.42Å; A72-L76 VanDerWaalsContact O-CB 3.31Å; A72-L76 WeakPolarHBondContact O-CB 3.33Å; A72-L76 WeakPolarHBondContact O-CD1 3.39Å; A72-L76 WeakPolarHBondContact O-CG 3.49Å; A72-L76 PolarHBondContact O-N 2.63Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 2.64Å; L76-E79 PolarHBondContact O-N 3.32Å; L76-Y80 HydrophobicContact CB-CD2 4.46Å; L76-Y80 HydrophobicContact CD2-CD2 4.05Å; L76-Y80 HydrophobicContact CD2-CE2 3.73Å; L76-Y80 WeakPolarHBondContact O-CB 3.48Å; L76-Y80 WeakPolarHBondContact O-CD2 3.33Å; L76-Y80 PolarHBondContact O-N 3.36Å; L76-L84 HydrophobicContact CB-CD2 4.09Å; L76-V94 HydrophobicContact CD1-CG1 4.15Å; L76-V94 HydrophobicContact CD1-CG2 3.65Å; L76-L117 HydrophobicContact CD2-CD1 3.89Å; L76-N120 HydrophobicContact CD2-CB 4.38Å
77R94.2Very high92.4Very high162 Ų16269.8 Ų69.861%0.61133%0.334SS*.Hα-helixtrans-64.7-37175.1-172176.5-64.1-166-0.9112N73 E74 V75 G81 L84N73-R77 WeakPolarHBondContact O-CB 3.3Å; N73-R77 PolarHBondContact O-N 3.4Å; E74-R77 PolarHBondContact O-N 2.82Å; V75-R77 VanDerWaalsContact C-N 3.33Å; V75-R77 PolarHBondContact O-N 2.88Å; R77-G81 VanDerWaalsContact O-CA 3.29Å; R77-G81 WeakPolarHBondContact O-CA 3.36Å; R77-G81 PolarHBondContact O-N 3.3Å; R77-L84 HydrophobicContact CB-CD2 4.19Å
78R93.8Very high92.3Very high129 Ų12972 Ų7249%0.48735%0.349SS..Hα-helixtrans-63.8-45.5173.8-173.4-171.873.5-151.70.8112.2E74 V75 L76 E127E74-R78 WeakPolarHBondContact O-CB 3.36Å; E74-R78 PolarHBondContact O-N 2.9Å; V75-R78 WeakPolarHBondContact O-CB 3.36Å; V75-R78 PolarHBondContact O-N 2.75Å; L76-R78 VanDerWaalsContact C-N 3.33Å; L76-R78 PolarHBondContact O-N 2.64Å; R78-E127 IonicContact CZ-OE2 3.74Å; R78-E127 VanDerWaalsContact CZ-OE2 3.23Å; R78-E127 IonicContact NH1-OE2 3.01Å; R78-E127 PolarHBondContact NH1-OE2 2.84Å; R78-E127 IonicContact NH2-OE1 2.89Å; R78-E127 PolarHBondContact NH2-OE1 2.91Å; R78-E127 VanDerWaalsContact NH2-OE1 3.09Å; R78-E127 IonicContact NH2-OE2 3.47Å; R78-E127 PolarHBondContact NH2-OE2 3.19Å
79E93Very high92.1Very high47 Ų4769.3 Ų69.322%0.2234%0.336CS..Hα-helixtrans-78.4-35.5-173.7-67.1-50.9142.700114.4V75 L76 K113V75-E79 WeakPolarHBondContact O-CG 3.48Å; V75-E79 PolarHBondContact O-N 2.85Å; L76-E79 PolarHBondContact O-N 3.32Å; E79-K113 PolarHBondContact O-NZ 3.4Å; E79-K113 VanDerWaalsContact O-NZ 3.14Å; E79-K113 IonicContact OE2-NZ 2.82Å; E79-K113 PolarHBondContact OE2-NZ 3.24Å
80Y94.3Very high92Very high8 Ų868.5 Ų68.53%0.03134%0.336CS..Hα-helixtrans-109.3-23-172.5-62.1-68.7000114.4L76 Q82 Y83 L96 K113 L117 N120L76-Y80 HydrophobicContact CB-CD2 4.46Å; L76-Y80 HydrophobicContact CD2-CD2 4.05Å; L76-Y80 HydrophobicContact CD2-CE2 3.73Å; L76-Y80 WeakPolarHBondContact O-CB 3.48Å; L76-Y80 WeakPolarHBondContact O-CD2 3.33Å; L76-Y80 PolarHBondContact O-N 3.36Å; Y80-Q82 PolarHBondContact O-N 3.39Å; Y80-Q82 VanDerWaalsContact O-N 3.14Å; Y80-Y83 WeakPolarHBondContact O-CB 3.02Å; Y80-Y83 VanDerWaalsContact O-CD2 3.28Å; Y80-Y83 WeakPolarHBondContact O-CD2 3.39Å; Y80-Y83 PolarHBondContact O-N 2.95Å; Y80-L96 HydrophobicContact CD1-CD1 3.66Å; Y80-L96 HydrophobicContact CD1-CD2 3.95Å; Y80-L96 HydrophobicContact CD1-CG 4.48Å; Y80-L96 HydrophobicContact CD2-CD2 3.99Å; Y80-L96 HydrophobicContact CE1-CD1 3.62Å; Y80-L96 HydrophobicContact CG-CD1 4.2Å; Y80-L96 HydrophobicContact CG-CD2 3.65Å; Y80-K113 HydrophobicContact CE1-CB 4.3Å; Y80-K113 WeakPolarHBondContact CE1-O 3.2Å; Y80-K113 PolarHBondContact OH-O 3.19Å; Y80-L117 HydrophobicContact CD2-CD1 4.37Å; Y80-L117 HydrophobicContact CE2-CD1 3.58Å; Y80-L117 VanDerWaalsContact OH-CA 3.26Å; Y80-L117 WeakPolarHBondContact OH-CA 3.28Å; Y80-L117 PolarHBondContact OH-N 3.15Å; Y80-N120 HydrophobicContact CE2-CB 4.26Å; Y80-N120 PolarHBondContact OH-ND2 3.13Å
81G91.6Very high91.9Very high38 Ų3871 Ų7139%0.39237%0.368SS..G310 helixtrans49.5-118.5175.900000113.1R77 Y83 L84R77-G81 VanDerWaalsContact O-CA 3.29Å; R77-G81 WeakPolarHBondContact O-CA 3.36Å; R77-G81 PolarHBondContact O-N 3.3Å; G81-Y83 PolarHBondContact O-N 3.47Å; G81-L84 PolarHBondContact O-N 3.06Å
82Q91.5Very high92Very high164 Ų16471.1 Ų71.177%0.76637%0.366SS*.G310 helixtrans-61.2-21.8-179.471.7-17435.700115.2Y80 L84Y80-Q82 PolarHBondContact O-N 3.39Å; Y80-Q82 VanDerWaalsContact O-N 3.14Å; Q82-L84 VanDerWaalsContact C-N 3.35Å
83Y93.3Very high92.1Very high52 Ų5272.1 Ų72.120%0.20437%0.373CS..G310 helixtrans-81.7-15.7-179.6-55.1-65.8000112.4Y80 G81 L96 L97 Y98 I110Y80-Y83 WeakPolarHBondContact O-CB 3.02Å; Y80-Y83 VanDerWaalsContact O-CD2 3.28Å; Y80-Y83 WeakPolarHBondContact O-CD2 3.39Å; Y80-Y83 PolarHBondContact O-N 2.95Å; G81-Y83 PolarHBondContact O-N 3.47Å; Y83-L96 CarbonylContact O-C 3.54Å; Y83-L96 WeakPolarHBondContact O-CA 3.31Å; Y83-L97 PolarHBondContact O-N 3.04Å; Y83-Y98 AromaticContact CD1-CD1 3.48Å; Y83-Y98 HydrophobicContact CD1-CD1 3.48Å; Y83-Y98 VanDerWaalsContact CD1-CD1 3.48Å; Y83-Y98 AromaticContact CD1-CE1 3.54Å; Y83-Y98 HydrophobicContact CD1-CE1 3.54Å; Y83-Y98 HydrophobicContact CD2-CE1 4.1Å; Y83-Y98 AromaticContact CE1-CD1 3.93Å; Y83-Y98 HydrophobicContact CE1-CD1 3.93Å; Y83-Y98 HydrophobicContact CE1-CE1 4.14Å; Y83-Y98 AromaticContact CG-CD1 3.98Å; Y83-Y98 HydrophobicContact CG-CD1 3.98Å; Y83-Y98 AromaticContact CG-CE1 3.52Å; Y83-Y98 HydrophobicContact CG-CE1 3.52Å; Y83-I110 HydrophobicContact CE2-CD1 4.12Å; Y83-I110 WeakPolarHBondContact OH-CD1 3.47Å
84L95Very high92.2Very high34 Ų3469.6 Ų69.618%0.17836%0.36CS..BIsolated β-bridgetrans-80.4127.1178.8-177.564.8000110.7L76 R77 G81 Q82 V94 L96L76-L84 HydrophobicContact CB-CD2 4.09Å; R77-L84 HydrophobicContact CB-CD2 4.19Å; G81-L84 PolarHBondContact O-N 3.06Å; Q82-L84 VanDerWaalsContact C-N 3.35Å; L84-V94 HydrophobicContact CD1-CG1 3.63Å; L84-L96 HydrophobicContact CB-CD2 4.37Å; L84-L96 HydrophobicContact CD1-CD2 3.85Å
85L93Very high92.4Very high59 Ų5963.6 Ų63.631%0.30933%0.332SS..  trans-76.5135.1172.4-68.7-177.8000111.8L56 K87 S95 L97L56-L85 HydrophobicContact CD1-CD1 3.48Å; L56-L85 VanDerWaalsContact CD1-CD1 3.48Å; L85-K87 WeakPolarHBondContact CB-O 3.42Å; L85-K87 PolarHBondContact O-N 2.92Å; L85-S95 PolarHBondContact N-O 2.93Å; L85-L97 HydrophobicContact CD1-CB 4.34Å; L85-L97 HydrophobicContact CD2-CB 3.74Å; L85-L97 HydrophobicContact CD2-CD2 3.93Å; L85-L97 HydrophobicContact CD2-CG 4.42Å; L85-L97 HydrophobicContact CG-CB 3.97Å
86N88.8Confident92.6Very high159 Ų15963 Ų6385%0.8533%0.328SS*.SBendtrans-62.1-30175.7-72.9-33.6000113.4
87K90Very high92.6Very high136 Ų13665.3 Ų65.359%0.59134%0.34SS*.SBendtrans-121.6124.1169.9-171.1-161.6167-162.60107.3L85 D90L85-K87 WeakPolarHBondContact CB-O 3.42Å; L85-K87 PolarHBondContact O-N 2.92Å; K87-D90 WeakPolarHBondContact CE-OD1 3.44Å; K87-D90 IonicContact NZ-OD1 2.77Å; K87-D90 PolarHBondContact NZ-OD1 3.48Å; K87-D90 IonicContact NZ-OD2 3.74Å
88P91.3Very high92.7Very high48 Ų4857.7 Ų57.731%0.31231%0.312SS..PPolyproline II helixtrans-65.9165.3172.829.9-35.3000111.1
89E89.2Confident92.6Very high34 Ų3453.4 Ų53.416%0.15930%0.299CS..PPolyproline II helixtrans-55.7142.1168.1174.6177.2175.400111.4R46 L56 S58 G91 C92 S95R46-E89 IonicContact CZ-OE1 3.61Å; R46-E89 IonicContact CZ-OE2 2.74Å; R46-E89 IonicContact NE-OE1 2.7Å; R46-E89 IonicContact NE-OE2 2.61Å; R46-E89 IonicContact NH1-OE1 3.85Å; R46-E89 PolarHBondContact NH1-OE1 2.76Å; R46-E89 IonicContact NH1-OE2 3.71Å; R46-E89 IonicContact NH2-OE1 3.59Å; R46-E89 PolarHBondContact NH2-OE1 3.37Å; R46-E89 IonicContact NH2-OE2 3.23Å; R46-E89 PolarHBondContact NH2-OE2 3.25Å; L56-E89 HydrophobicContact CD2-CB 4.26Å; L56-E89 HydrophobicContact CD2-CG 4.49Å; L56-E89 WeakPolarHBondContact CD2-OE2 3.19Å; S58-E89 WeakPolarHBondContact CB-OE2 3.44Å; S58-E89 WeakPolarHBondContact OG-CB 3.26Å; S58-E89 PolarHBondContact OG-OE2 2.95Å; E89-G91 PolarHBondContact O-N 3.19Å; E89-C92 HydrophobicContact CB-CB 3.98Å; E89-C92 HydrophobicContact CG-CB 4.5Å; E89-C92 WeakPolarHBondContact O-CB 3.34Å; E89-C92 PolarHBondContact O-N 2.94Å; E89-S95 WeakPolarHBondContact CB-OG 3.47Å; E89-S95 PolarHBondContact N-OG 3.08Å
90D89Confident92.6Very high130 Ų13052 Ų5270%0.69529%0.292SS*.THydrogen-bonded Turntrans-58.6121.4179.5-60.7-49.6000110.8K87K87-D90 WeakPolarHBondContact CE-OD1 3.44Å; K87-D90 IonicContact NZ-OD1 2.77Å; K87-D90 PolarHBondContact NZ-OD1 3.48Å; K87-D90 IonicContact NZ-OD2 3.74Å
91G89.2Confident92.4Very high74 Ų7457.3 Ų57.376%0.76332%0.317SS*.THydrogen-bonded Turntrans87-4.4-175.100000115.6E89E89-G91 PolarHBondContact O-N 3.19Å
92C92.1Very high92.2Very high16 Ų1662 Ų6211%0.10833%0.329CS..  trans-103.3158.1173.9-60.70000111.7S58 E89S58-C92 VanDerWaalsContact CB-SG 3.55Å; E89-C92 HydrophobicContact CB-CB 3.98Å; E89-C92 HydrophobicContact CG-CB 4.5Å; E89-C92 WeakPolarHBondContact O-CB 3.34Å; E89-C92 PolarHBondContact O-N 2.94Å
93S93.6Very high92.1Very high22 Ų2255.1 Ų55.115%0.15430%0.297CS..SBendtrans-86.2-45.9-179.5-54.20000112.4I59 L61I59-S93 WeakPolarHBondContact O-CA 3.47Å; I59-S93 WeakPolarHBondContact O-CB 3.29Å; I59-S93 PolarHBondContact O-N 3.27Å; L61-S93 PolarHBondContact N-OG 3.43Å; L61-S93 PolarHBondContact O-OG 2.95Å
94V95.5Very high91.9Very high7 Ų755.1 Ų55.14%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-139.3140.5-179.7-175.20000108.6S58 I59 F64 L76 L84 L117S58-V94 CarbonylContact C-O 3.57Å; S58-V94 VanDerWaalsContact CA-O 3.3Å; S58-V94 WeakPolarHBondContact CA-O 3.43Å; I59-V94 HydrophobicContact CG2-CB 3.89Å; I59-V94 HydrophobicContact CG2-CG2 4.43Å; I59-V94 PolarHBondContact N-O 3.39Å; I59-V94 PolarHBondContact O-N 3.08Å; I59-V94 VanDerWaalsContact O-N 3.16Å; F64-V94 HydrophobicContact CD2-CG2 4.16Å; F64-V94 HydrophobicContact CE1-CG2 4.04Å; F64-V94 HydrophobicContact CE2-CG2 3.39Å; F64-V94 HydrophobicContact CZ-CG2 3.32Å; L76-V94 HydrophobicContact CD1-CG1 4.15Å; L76-V94 HydrophobicContact CD1-CG2 3.65Å; L84-V94 HydrophobicContact CD1-CG1 3.63Å; V94-L117 HydrophobicContact CG1-CD1 4.13Å
95S96.1Very high91.5Very high1 Ų162.3 Ų62.31%0.00734%0.336CS..EExtended strand (participates in β ladder)trans-132.9132.6176-59.90000111.6S58 L85 E89S58-S95 WeakPolarHBondContact CB-OG 3.39Å; S58-S95 WeakPolarHBondContact OG-CB 3.47Å; S58-S95 PolarHBondContact OG-OG 2.9Å; L85-S95 PolarHBondContact N-O 2.93Å; E89-S95 WeakPolarHBondContact CB-OG 3.47Å; E89-S95 PolarHBondContact N-OG 3.08Å
96L96.2Very high91.3Very high0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-107.4139.4173.7-51.1178.7000109.7L56 V57 Y80 Y83 L84 Y98 A114 L117L56-L96 WeakPolarHBondContact CA-O 3.43Å; V57-L96 HydrophobicContact CB-CB 4.34Å; V57-L96 PolarHBondContact N-O 2.84Å; V57-L96 PolarHBondContact O-N 3.3Å; Y80-L96 HydrophobicContact CD1-CD1 3.66Å; Y80-L96 HydrophobicContact CD1-CD2 3.95Å; Y80-L96 HydrophobicContact CD1-CG 4.48Å; Y80-L96 HydrophobicContact CD2-CD2 3.99Å; Y80-L96 HydrophobicContact CE1-CD1 3.62Å; Y80-L96 HydrophobicContact CG-CD1 4.2Å; Y80-L96 HydrophobicContact CG-CD2 3.65Å; Y83-L96 CarbonylContact O-C 3.54Å; Y83-L96 WeakPolarHBondContact O-CA 3.31Å; L84-L96 HydrophobicContact CB-CD2 4.37Å; L84-L96 HydrophobicContact CD1-CD2 3.85Å; L96-Y98 HydrophobicContact CB-CE2 3.86Å; L96-Y98 HydrophobicContact CD1-CE2 4.34Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.2Å; L96-A114 HydrophobicContact CD1-CB 4.42Å; L96-L117 HydrophobicContact CD1-CD1 4.25Å; L96-L117 HydrophobicContact CD1-CD2 4.06Å; L96-L117 HydrophobicContact CG-CD2 4.25Å
97L94.9Very high91.5Very high51 Ų5159.2 Ų59.227%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-115.5124177.8-174.772000109.8V48 K54 I55 L56 Y83 L85V48-L97 HydrophobicContact CG2-CD1 3.78Å; K54-L97 HydrophobicContact CB-CD1 4.03Å; K54-L97 HydrophobicContact CD-CD2 4.37Å; I55-L97 WeakPolarHBondContact O-CA 3.39Å; L56-L97 HydrophobicContact CD1-CD1 4.24Å; Y83-L97 PolarHBondContact O-N 3.04Å; L85-L97 HydrophobicContact CD1-CB 4.34Å; L85-L97 HydrophobicContact CD2-CB 3.74Å; L85-L97 HydrophobicContact CD2-CD2 3.93Å; L85-L97 HydrophobicContact CD2-CG 4.42Å; L85-L97 HydrophobicContact CG-CB 3.97Å
98Y94.6Very high91.6Very high3 Ų354.9 Ų54.91%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-116.6126.7175.8-63.2-68.6000110.1F19 K54 I55 V57 Y83 L96 I110 A114F19-Y98 HydrophobicContact CZ-CD1 4.41Å; F19-Y98 HydrophobicContact CZ-CD2 4.39Å; F19-Y98 HydrophobicContact CZ-CG 4.07Å; K54-Y98 WeakPolarHBondContact CA-O 3.4Å; I55-Y98 PolarHBondContact N-O 3.41Å; I55-Y98 PolarHBondContact O-N 3.02Å; V57-Y98 HydrophobicContact CB-CE2 4.41Å; V57-Y98 HydrophobicContact CG2-CD2 3.91Å; V57-Y98 HydrophobicContact CG2-CE2 3.9Å; Y83-Y98 AromaticContact CD1-CD1 3.48Å; Y83-Y98 HydrophobicContact CD1-CD1 3.48Å; Y83-Y98 VanDerWaalsContact CD1-CD1 3.48Å; Y83-Y98 AromaticContact CD1-CE1 3.54Å; Y83-Y98 HydrophobicContact CD1-CE1 3.54Å; Y83-Y98 HydrophobicContact CD2-CE1 4.1Å; Y83-Y98 AromaticContact CE1-CD1 3.93Å; Y83-Y98 HydrophobicContact CE1-CD1 3.93Å; Y83-Y98 HydrophobicContact CE1-CE1 4.14Å; Y83-Y98 AromaticContact CG-CD1 3.98Å; Y83-Y98 HydrophobicContact CG-CD1 3.98Å; Y83-Y98 AromaticContact CG-CE1 3.52Å; Y83-Y98 HydrophobicContact CG-CE1 3.52Å; L96-Y98 HydrophobicContact CB-CE2 3.86Å; L96-Y98 HydrophobicContact CD1-CE2 4.34Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.2Å; Y98-I110 HydrophobicContact CD1-CG2 3.79Å; Y98-I110 HydrophobicContact CE1-CG2 3.22Å; Y98-A114 HydrophobicContact CE2-CB 4.05Å; Y98-A114 WeakPolarHBondContact OH-CB 3.49Å
99D93.3Very high91.7Very high39 Ų3956.5 Ų56.521%0.20931%0.311CS..EExtended strand (participates in β ladder)trans-93.2121.3173-174-5.5000109.7E101 H102 L103D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 3.09Å; D99-H102 HydrophobicContact CB-CB 4.46Å; D99-H102 IonicContact OD2-CE1 3.82Å; D99-H102 IonicContact OD2-CG 3.73Å; D99-H102 IonicContact OD2-ND1 2.82Å; D99-H102 PolarHBondContact OD2-ND1 3.23Å; D99-L103 WeakPolarHBondContact O-CD2 3.47Å; D99-L103 WeakPolarHBondContact O-CG 3.36Å
100L92Very high91.9Very high17 Ų1756 Ų569%0.08931%0.309CS..SBendtrans-74.3-24.3179.5-64.3178.1000112.7F19 A22 F28 S53 I55 L103F19-L100 HydrophobicContact CD1-CD2 3.62Å; F19-L100 HydrophobicContact CE1-CD2 3.97Å; A22-L100 HydrophobicContact CB-CB 3.91Å; A22-L100 HydrophobicContact CB-CD2 4Å; A22-L100 HydrophobicContact CB-CG 4.37Å; F28-L100 HydrophobicContact CD1-CB 4.18Å; F28-L100 HydrophobicContact CD1-CD1 3.62Å; F28-L100 HydrophobicContact CE1-CB 3.65Å; F28-L100 HydrophobicContact CE1-CD1 3.96Å; F28-L100 HydrophobicContact CE1-CG 4.46Å; F28-L100 HydrophobicContact CG-CD1 4.23Å; F28-L100 HydrophobicContact CZ-CB 3.95Å; S53-L100 WeakPolarHBondContact O-CB 3.4Å; S53-L100 WeakPolarHBondContact O-CG 3.48Å; S53-L100 PolarHBondContact O-N 2.88Å; I55-L100 HydrophobicContact CD1-CD1 4.04Å; I55-L100 HydrophobicContact CD1-CD2 3.75Å; I55-L100 HydrophobicContact CD1-CG 4.16Å; I55-L100 HydrophobicContact CG1-CD1 4.08Å; I55-L100 HydrophobicContact CG1-CD2 4.25Å; I55-L100 HydrophobicContact CG1-CG 4.17Å; L100-L103 HydrophobicContact CD2-CD1 4.04Å
101E89.7Confident92.1Very high119 Ų11949.8 Ų49.856%0.55628%0.276SS*.THydrogen-bonded Turntrans-73.1-33.7175.6-71.1164.9-153.200111F28 S53 D99F28-E101 HydrophobicContact CE2-CG 4.04Å; F28-E101 HydrophobicContact CZ-CG 4.13Å; S53-E101 WeakPolarHBondContact CB-OE1 3.41Å; S53-E101 PolarHBondContact OG-OE1 2.69Å; D99-E101 WeakPolarHBondContact OD1-CB 3.46Å; D99-E101 PolarHBondContact OD1-N 3.09Å
102H88.9Confident92.4Very high138 Ų13850 Ų5064%0.63926%0.257SS*.THydrogen-bonded Turntrans-113.240.2-173.4-59.697.6000113.2D99D99-H102 HydrophobicContact CB-CB 4.46Å; D99-H102 IonicContact OD2-CE1 3.82Å; D99-H102 IonicContact OD2-CG 3.73Å; D99-H102 IonicContact OD2-ND1 2.82Å; D99-H102 PolarHBondContact OD2-ND1 3.23Å
103L87.9Confident92.5Very high18 Ų1852.6 Ų52.69%0.09427%0.267CS..  trans-72.7128.8176-68.5173.2000112F19 A22 K23 D99 L100F19-L103 HydrophobicContact CB-CD1 3.95Å; F19-L103 HydrophobicContact CD1-CD1 3.87Å; F19-L103 HydrophobicContact CD1-CD2 3.77Å; F19-L103 HydrophobicContact CD1-CG 4.5Å; F19-L103 HydrophobicContact CE1-CD2 3.85Å; F19-L103 HydrophobicContact CG-CD1 4.1Å; F19-L103 HydrophobicContact CG-CD2 4.21Å; F19-L103 HydrophobicContact CZ-CD2 4.34Å; A22-L103 HydrophobicContact CB-CD1 3.94Å; K23-L103 PolarHBondContact NZ-O 3Å; D99-L103 WeakPolarHBondContact O-CD2 3.47Å; D99-L103 WeakPolarHBondContact O-CG 3.36Å; L100-L103 HydrophobicContact CD2-CD1 4.04Å
104P89.4Confident92.5Very high52 Ų5251.6 Ų51.634%0.33826%0.259SS..  trans-70.1172.2172.730.9-34.5000111.8I110P104-I110 HydrophobicContact CG-CD1 3.29Å
105E86.9Confident92.5Very high186 Ų18651.3 Ų51.387%0.86926%0.258SS*.SBendtrans-62.7-42.6-178.8-62.8-177.6165.700112.5Y107E105-Y107 VanDerWaalsContact C-N 3.29Å; E105-Y107 VanDerWaalsContact O-CD1 3.23Å; E105-Y107 WeakPolarHBondContact O-CD1 3.36Å; E105-Y107 PolarHBondContact O-N 3.3Å; E105-Y107 VanDerWaalsContact O-N 3.13Å
106N89.8Confident92.4Very high94 Ų9453 Ų5350%0.50327%0.267SS..  trans-90.258.4178.8-163.7-9.2000112.1A108 L109N106-A108 PolarHBondContact O-N 3.15Å; N106-L109 PolarHBondContact O-N 3Å; N106-L109 VanDerWaalsContact OD1-CB 3.27Å; N106-L109 WeakPolarHBondContact OD1-CB 3.48Å; N106-L109 PolarHBondContact OD1-N 2.83Å; N106-L109 VanDerWaalsContact OD1-N 3.17Å
107Y91.7Very high92.4Very high59 Ų5953 Ų5323%0.23127%0.267CS..Hα-helixtrans-64.4-26.5176.759.2-92.5000112.7L16 F19 E20 K23 E105 I110 A111L16-Y107 HydrophobicContact CD2-CD2 4.48Å; F19-Y107 HydrophobicContact CB-CD2 3.7Å; F19-Y107 HydrophobicContact CB-CE2 4.41Å; F19-Y107 HydrophobicContact CB-CG 4.16Å; F19-Y107 HydrophobicContact CD2-CD2 4.23Å; F19-Y107 HydrophobicContact CG-CD2 4.46Å; E20-Y107 HydrophobicContact CG-CE2 3.92Å; K23-Y107 HydrophobicContact CG-CD1 4.33Å; K23-Y107 HydrophobicContact CG-CE1 4.22Å; E105-Y107 VanDerWaalsContact C-N 3.29Å; E105-Y107 VanDerWaalsContact O-CD1 3.23Å; E105-Y107 WeakPolarHBondContact O-CD1 3.36Å; E105-Y107 PolarHBondContact O-N 3.3Å; E105-Y107 VanDerWaalsContact O-N 3.13Å; Y107-I110 WeakPolarHBondContact O-CB 3.46Å; Y107-I110 PolarHBondContact O-N 2.96Å; Y107-A111 PolarHBondContact O-N 3.04Å
108A93Very high92.4Very high45 Ų4551.2 Ų51.237%0.37226%0.257SS..Hα-helixtrans-63.8-44.8177.900000112.6L16 N106 I110 A111 Q112L16-A108 HydrophobicContact CD2-CB 3.93Å; N106-A108 PolarHBondContact O-N 3.15Å; A108-I110 PolarHBondContact O-N 2.94Å; A108-A111 PolarHBondContact O-N 3.13Å; A108-Q112 PolarHBondContact O-N 2.79Å
109L93.2Very high92.4Very high82 Ų8252 Ų5243%0.42926%0.26SS..Hα-helixtrans-61.5-30.2174.5-178.862.6000112.3N106 K113N106-L109 PolarHBondContact O-N 3Å; N106-L109 VanDerWaalsContact OD1-CB 3.27Å; N106-L109 WeakPolarHBondContact OD1-CB 3.48Å; N106-L109 PolarHBondContact OD1-N 2.83Å; N106-L109 VanDerWaalsContact OD1-N 3.17Å; L109-K113 WeakPolarHBondContact O-CB 3.46Å; L109-K113 WeakPolarHBondContact O-CG 3.3Å; L109-K113 PolarHBondContact O-N 2.9Å
110I92.8Very high92.5Very high22 Ų2250.5 Ų50.511%0.11325%0.252CS..Hα-helixtrans-73.2-44.2177-66.7174.2000111.2F19 Y83 Y98 P104 Y107 A108 Q112 K113 A114F19-I110 HydrophobicContact CE2-CG2 4.35Å; Y83-I110 HydrophobicContact CE2-CD1 4.12Å; Y83-I110 WeakPolarHBondContact OH-CD1 3.47Å; Y98-I110 HydrophobicContact CD1-CG2 3.79Å; Y98-I110 HydrophobicContact CE1-CG2 3.22Å; P104-I110 HydrophobicContact CG-CD1 3.29Å; Y107-I110 WeakPolarHBondContact O-CB 3.46Å; Y107-I110 PolarHBondContact O-N 2.96Å; A108-I110 PolarHBondContact O-N 2.94Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.79Å; I110-K113 PolarHBondContact O-N 2.69Å; I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 2.91Å
111A94.1Very high92.6Very high0 Ų049.7 Ų49.70%025%0.247CC..Hα-helixtrans-57.9-44.5173.300000111.1E12 L15 L16 F19 Y107 A108 A114 A115E12-A111 HydrophobicContact CG-CB 4.44Å; L15-A111 HydrophobicContact CB-CB 3.88Å; L16-A111 HydrophobicContact CD2-CB 3.8Å; L16-A111 HydrophobicContact CG-CB 3.87Å; F19-A111 HydrophobicContact CD2-CB 4.22Å; F19-A111 HydrophobicContact CE2-CB 3.99Å; Y107-A111 PolarHBondContact O-N 3.04Å; A108-A111 PolarHBondContact O-N 3.13Å; A111-A114 WeakPolarHBondContact O-CB 3.49Å; A111-A114 PolarHBondContact O-N 2.8Å; A111-A115 PolarHBondContact O-N 3.16Å
112Q94.3Very high92.8Very high79 Ų7944.3 Ų44.337%0.36922%0.222SC..Hα-helixtrans-63.5-43.4175.4-173.5167.787.900112.7E12 A108 I110 A114 A115 L116E12-Q112 VanDerWaalsContact OE1-CB 3.32Å; E12-Q112 WeakPolarHBondContact OE1-CB 3.37Å; E12-Q112 PolarHBondContact OE1-NE2 2.93Å; A108-Q112 PolarHBondContact O-N 2.79Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.79Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 2.77Å; Q112-A115 PolarHBondContact O-N 2.84Å; Q112-L116 WeakPolarHBondContact O-CG 3.48Å; Q112-L116 PolarHBondContact O-N 2.81Å; Q112-L116 VanDerWaalsContact O-N 3.09Å
113K93.9Very high93Very high71 Ų7137.8 Ų37.831%0.30919%0.192SC..Hα-helixtrans-61.1-39174-85.3-168.8165.2-142.80112.3E79 Y80 L109 I110 L116E79-K113 PolarHBondContact O-NZ 3.4Å; E79-K113 VanDerWaalsContact O-NZ 3.14Å; E79-K113 IonicContact OE2-NZ 2.82Å; E79-K113 PolarHBondContact OE2-NZ 3.24Å; Y80-K113 HydrophobicContact CE1-CB 4.3Å; Y80-K113 WeakPolarHBondContact CE1-O 3.2Å; Y80-K113 PolarHBondContact OH-O 3.19Å; L109-K113 WeakPolarHBondContact O-CB 3.46Å; L109-K113 WeakPolarHBondContact O-CG 3.3Å; L109-K113 PolarHBondContact O-N 2.9Å; I110-K113 PolarHBondContact O-N 2.69Å; K113-L116 PolarHBondContact O-N 3.45Å
114A94.1Very high93.2Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-65.7-40.3175.300000111.7L15 L96 Y98 I110 A111 Q112 L116 L117L15-A114 HydrophobicContact CD1-CB 3.45Å; L15-A114 VanDerWaalsContact CD1-CB 3.45Å; L96-A114 HydrophobicContact CD1-CB 4.42Å; Y98-A114 HydrophobicContact CE2-CB 4.05Å; Y98-A114 WeakPolarHBondContact OH-CB 3.49Å; I110-A114 WeakPolarHBondContact O-CB 3.39Å; I110-A114 PolarHBondContact O-N 2.91Å; A111-A114 WeakPolarHBondContact O-CB 3.49Å; A111-A114 PolarHBondContact O-N 2.8Å; Q112-A114 VanDerWaalsContact C-N 3.32Å; Q112-A114 PolarHBondContact O-N 2.77Å; A114-L116 PolarHBondContact O-N 3.13Å; A114-L117 WeakPolarHBondContact O-CB 3.45Å; A114-L117 PolarHBondContact O-N 2.75Å; A114-L117 VanDerWaalsContact O-N 3.13Å
115A95Very high93.4Very high1 Ų134.5 Ų34.51%0.00817%0.172CC..Hα-helixtrans-66.7-20.2175.200000113.6F7 N8 V11 E12 A111 Q112 L117F7-A115 WeakPolarHBondContact CA-O 3.13Å; F7-A115 HydrophobicContact CB-CB 3.9Å; N8-A115 PolarHBondContact N-O 3.01Å; N8-A115 WeakPolarHBondContact O-CB 3.45Å; V11-A115 HydrophobicContact CB-CB 4.32Å; V11-A115 HydrophobicContact CG1-CB 4.27Å; E12-A115 HydrophobicContact CB-CB 3.82Å; A111-A115 PolarHBondContact O-N 3.16Å; Q112-A115 PolarHBondContact O-N 2.84Å; A115-L117 VanDerWaalsContact C-N 3.34Å
116L95.4Very high93.7Very high37 Ų3725.6 Ų25.619%0.19413%0.13CC..THydrogen-bonded Turntrans-86.37.5172.8-71.2169.3000114.2I6 F7 Q112 K113 A114 K118 R119 N120I6-L116 HydrophobicContact CB-CD2 4.43Å; I6-L116 HydrophobicContact CG2-CD2 3.78Å; F7-L116 HydrophobicContact CB-CD2 3.78Å; F7-L116 HydrophobicContact CB-CG 4.01Å; Q112-L116 WeakPolarHBondContact O-CG 3.48Å; Q112-L116 PolarHBondContact O-N 2.81Å; Q112-L116 VanDerWaalsContact O-N 3.09Å; K113-L116 PolarHBondContact O-N 3.45Å; A114-L116 PolarHBondContact O-N 3.13Å; L116-K118 PolarHBondContact O-N 3.03Å; L116-R119 HydrophobicContact CD2-CB 4.38Å; L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.39Å; L116-N120 PolarHBondContact O-N 3.29Å
117L95Very high93.8Very high0 Ų022.2 Ų22.20%011%0.111CC..Hα-helixtrans-56.1-48.2-173-178.957.8000113.5Y43 I59 L76 Y80 V94 L96 A114 A115 R119 N120 C121Y43-L117 HydrophobicContact CE1-CB 4.15Å; Y43-L117 HydrophobicContact CE1-CD2 4.32Å; I59-L117 HydrophobicContact CB-CD2 3.91Å; I59-L117 HydrophobicContact CB-CG 4.48Å; I59-L117 HydrophobicContact CG2-CD2 3.55Å; I59-L117 HydrophobicContact CG2-CG 3.88Å; L76-L117 HydrophobicContact CD2-CD1 3.89Å; Y80-L117 HydrophobicContact CD2-CD1 4.37Å; Y80-L117 HydrophobicContact CE2-CD1 3.58Å; Y80-L117 VanDerWaalsContact OH-CA 3.26Å; Y80-L117 WeakPolarHBondContact OH-CA 3.28Å; Y80-L117 PolarHBondContact OH-N 3.15Å; V94-L117 HydrophobicContact CG1-CD1 4.13Å; L96-L117 HydrophobicContact CD1-CD1 4.25Å; L96-L117 HydrophobicContact CD1-CD2 4.06Å; L96-L117 HydrophobicContact CG-CD2 4.25Å; A114-L117 WeakPolarHBondContact O-CB 3.45Å; A114-L117 PolarHBondContact O-N 2.75Å; A114-L117 VanDerWaalsContact O-N 3.13Å; A115-L117 VanDerWaalsContact C-N 3.34Å; L117-R119 PolarHBondContact O-N 3.42Å; L117-N120 PolarHBondContact O-N 3.16Å; L117-N120 VanDerWaalsContact O-N 3.13Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 3.48Å
118K94.9Very high93.7Very high13 Ų1322.6 Ų22.66%0.05711%0.114CC..Hα-helixtrans-54.3-48.5173.3175178.6168.4176.30112.5D37 F38 D39 A41 Y43 I59 L116 N120 C121 F122D37-K118 HydrophobicContact CB-CD 4.45Å; D37-K118 VanDerWaalsContact OD1-CD 3.3Å; D37-K118 WeakPolarHBondContact OD1-CD 3.48Å; D37-K118 IonicContact OD1-NZ 2.63Å; D37-K118 PolarHBondContact OD1-NZ 2.84Å; F38-K118 PolarHBondContact O-NZ 2.82Å; D39-K118 WeakPolarHBondContact OD2-CE 3.41Å; D39-K118 IonicContact OD2-NZ 3.49Å; D39-K118 PolarHBondContact OD2-NZ 3.44Å; A41-K118 HydrophobicContact CB-CD 4.13Å; Y43-K118 WeakPolarHBondContact OH-CB 3.46Å; Y43-K118 PolarHBondContact OH-N 3.44Å; I59-K118 HydrophobicContact CD1-CB 3.91Å; L116-K118 PolarHBondContact O-N 3.03Å; K118-N120 VanDerWaalsContact C-N 3.28Å; K118-N120 PolarHBondContact O-N 3.06Å; K118-C121 PolarHBondContact O-N 3.08Å; K118-F122 HydrophobicContact CG-CD2 4.2Å; K118-F122 HydrophobicContact CG-CE2 4.33Å; K118-F122 WeakPolarHBondContact O-CD2 3.35Å; K118-F122 PolarHBondContact O-N 3.07Å; K118-F122 VanDerWaalsContact O-N 3.13Å
119R95Very high93.6Very high21 Ų2120.5 Ų20.58%0.07910%0.097CC..Hα-helixtrans-59.2-41.4178.1174-85.9-177.8-153.6-7.7110.8I6 L116 L117 F122 A123 P242 N246I6-R119 HydrophobicContact CG2-CB 4.08Å; I6-R119 HydrophobicContact CG2-CG 3.89Å; L116-R119 HydrophobicContact CD2-CB 4.38Å; L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.39Å; L117-R119 PolarHBondContact O-N 3.42Å; R119-F122 PolarHBondContact O-N 3.18Å; R119-A123 WeakPolarHBondContact O-CB 3.19Å; R119-A123 PolarHBondContact O-N 3.45Å; R119-P242 PolarHBondContact NH2-O 3.47Å; R119-N246 PolarHBondContact NE-OD1 3.31Å; R119-N246 PolarHBondContact NH2-OD1 2.86Å
120N95.2Very high93.4Very high7 Ų717 Ų174%0.0378%0.078CC..Hα-helixtrans-72.7-31-178.7-71.2-19.7000112.8L76 Y80 L116 L117 K118 A123L76-N120 HydrophobicContact CD2-CB 4.38Å; Y80-N120 HydrophobicContact CE2-CB 4.26Å; Y80-N120 PolarHBondContact OH-ND2 3.13Å; L116-N120 PolarHBondContact O-N 3.29Å; L117-N120 PolarHBondContact O-N 3.16Å; L117-N120 VanDerWaalsContact O-N 3.13Å; K118-N120 VanDerWaalsContact C-N 3.28Å; K118-N120 PolarHBondContact O-N 3.06Å; N120-A123 PolarHBondContact O-N 3.34Å
121C94.3Very high93.2Very high0 Ų021.9 Ų21.90%010%0.1CC..Hα-helixtrans-61.3-46.5167.2-62.70000111.6L61 L67 L117 K118L61-C121 HydrophobicContact CD1-CB 3.78Å; L67-C121 HydrophobicContact CD1-CB 4.13Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 3.48Å; K118-C121 PolarHBondContact O-N 3.08Å
122F93.4Very high92.7Very high6 Ų624.4 Ų24.43%0.02611%0.111CC..Hα-helixtrans-68.7-32.1176.4-88.4-79.5000113.5F63 K118 R119 A124 V125 F126 H249F63-F122 HydrophobicContact CD2-CZ 4.39Å; F63-F122 AromaticContact CE2-CE1 3.95Å; F63-F122 HydrophobicContact CE2-CE1 3.95Å; F63-F122 AromaticContact CE2-CE2 3.66Å; F63-F122 HydrophobicContact CE2-CE2 3.66Å; F63-F122 AromaticContact CE2-CZ 3.29Å; F63-F122 HydrophobicContact CE2-CZ 3.29Å; F63-F122 HydrophobicContact CZ-CE1 4.47Å; F63-F122 AromaticContact CZ-CE2 3.69Å; F63-F122 HydrophobicContact CZ-CE2 3.69Å; F63-F122 AromaticContact CZ-CZ 3.45Å; F63-F122 HydrophobicContact CZ-CZ 3.45Å; F63-F122 VanDerWaalsContact CZ-CZ 3.45Å; K118-F122 HydrophobicContact CG-CD2 4.2Å; K118-F122 HydrophobicContact CG-CE2 4.33Å; K118-F122 WeakPolarHBondContact O-CD2 3.35Å; K118-F122 PolarHBondContact O-N 3.07Å; K118-F122 VanDerWaalsContact O-N 3.13Å; R119-F122 PolarHBondContact O-N 3.18Å; F122-A124 PolarHBondContact O-N 3.08Å; F122-V125 WeakPolarHBondContact O-CG1 3.31Å; F122-V125 PolarHBondContact O-N 3.42Å; F122-F126 VanDerWaalsContact O-CD2 3.24Å; F122-F126 WeakPolarHBondContact O-CD2 3.41Å; F122-H249 HydrophobicContact CB-CB 4.34Å
123A93.6Very high92.2Very high0 Ų021.6 Ų21.60%010%0.098CC..Hα-helixtrans-57.2-34.4-177.300000112.4R119 N120 V125 F126 E127 I245R119-A123 WeakPolarHBondContact O-CB 3.19Å; R119-A123 PolarHBondContact O-N 3.45Å; N120-A123 PolarHBondContact O-N 3.34Å; A123-V125 PolarHBondContact O-N 3.43Å; A123-F126 PolarHBondContact O-N 3.48Å; A123-F126 VanDerWaalsContact O-N 3.15Å; A123-E127 WeakPolarHBondContact O-CB 3.45Å; A123-E127 WeakPolarHBondContact O-CG 3.37Å; A123-E127 PolarHBondContact O-N 3.1Å; A123-I245 HydrophobicContact CB-CG2 4.01Å
124A91.6Very high91.7Very high1 Ų122.2 Ų22.21%0.00812%0.117CC..Hα-helixtrans-59-43.5-176.900000114.4A72 V75 F122 F126 K128A72-A124 VanDerWaalsContact CA-CB 3.49Å; A72-A124 HydrophobicContact CB-CB 4.18Å; V75-A124 HydrophobicContact CB-CB 3.97Å; V75-A124 HydrophobicContact CG1-CB 4.4Å; V75-A124 HydrophobicContact CG2-CB 3.88Å; F122-A124 PolarHBondContact O-N 3.08Å; A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 PolarHBondContact O-N 3.33Å; A124-K128 VanDerWaalsContact O-CB 3.29Å; A124-K128 WeakPolarHBondContact O-CB 3.42Å; A124-K128 PolarHBondContact O-N 3.29Å
125V93.2Very high91Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-68.3-34177.967.30000111.6L67 H70 F122 A123 F129 A146 I148 I158L67-V125 HydrophobicContact CD2-CB 4.27Å; L67-V125 HydrophobicContact CD2-CG1 3.95Å; H70-V125 HydrophobicContact CB-CB 3.87Å; H70-V125 HydrophobicContact CB-CG2 3.8Å; F122-V125 WeakPolarHBondContact O-CG1 3.31Å; F122-V125 PolarHBondContact O-N 3.42Å; A123-V125 PolarHBondContact O-N 3.43Å; V125-F129 HydrophobicContact CG2-CD2 4.32Å; V125-F129 HydrophobicContact CG2-CE2 4.22Å; V125-F129 WeakPolarHBondContact O-CD2 3.44Å; V125-F129 PolarHBondContact O-N 3.24Å; V125-A146 HydrophobicContact CG2-CB 3.74Å; V125-I148 HydrophobicContact CG2-CD1 4.37Å; V125-I148 HydrophobicContact CG2-CG1 4.41Å; V125-I158 HydrophobicContact CB-CD1 4.35Å; V125-I158 HydrophobicContact CG1-CD1 3.77Å; V125-I158 HydrophobicContact CG2-CD1 3.72Å
126F93.5Very high89.6Confident0 Ų028.6 Ų28.60%016%0.157CC..Hα-helixtrans-72.2-48.5175.3-64.5-69.1000112.1F122 A123 A124 K128 F129 F130 L156 I158 V167 I245 I248 H249F122-F126 VanDerWaalsContact O-CD2 3.24Å; F122-F126 WeakPolarHBondContact O-CD2 3.41Å; A123-F126 PolarHBondContact O-N 3.48Å; A123-F126 VanDerWaalsContact O-N 3.15Å; A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 PolarHBondContact O-N 3.33Å; F126-K128 PolarHBondContact O-N 3.46Å; F126-F129 PolarHBondContact O-N 3.38Å; F126-F129 VanDerWaalsContact O-N 3.14Å; F126-F130 HydrophobicContact CB-CE1 4.3Å; F126-F130 HydrophobicContact CB-CE2 4.27Å; F126-F130 HydrophobicContact CB-CZ 4.01Å; F126-F130 HydrophobicContact CD1-CE1 4.46Å; F126-F130 HydrophobicContact CD1-CZ 4.36Å; F126-F130 WeakPolarHBondContact O-CD1 3.26Å; F126-F130 WeakPolarHBondContact O-CG 3.37Å; F126-F130 PolarHBondContact O-N 3.15Å; F126-L156 HydrophobicContact CZ-CD2 4.05Å; F126-I158 HydrophobicContact CD1-CD1 3.83Å; F126-I158 HydrophobicContact CE1-CD1 3.53Å; F126-I158 HydrophobicContact CE1-CG1 4.13Å; F126-I158 HydrophobicContact CZ-CD1 4.05Å; F126-V167 HydrophobicContact CE1-CG1 4.1Å; F126-V167 HydrophobicContact CE1-CG2 4.24Å; F126-I245 HydrophobicContact CB-CD1 3.98Å; F126-I245 HydrophobicContact CB-CG1 3.73Å; F126-I245 HydrophobicContact CD2-CG2 4.23Å; F126-I245 HydrophobicContact CG-CG1 4.3Å; F126-I248 HydrophobicContact CD1-CG2 4.1Å; F126-I248 HydrophobicContact CD2-CG2 4.45Å; F126-I248 HydrophobicContact CE1-CG1 4.48Å; F126-I248 HydrophobicContact CE1-CG2 3.71Å; F126-I248 HydrophobicContact CE2-CG2 4.1Å; F126-I248 HydrophobicContact CG-CG2 4.47Å; F126-I248 HydrophobicContact CZ-CG2 3.71Å; F126-H249 HydrophobicContact CE2-CB 4.09Å
127E92Very high87.9Confident23 Ų2329.1 Ų29.111%0.10717%0.172CC..Hα-helixtrans-56.8-47.9178.7-72.7-178.8-162.400111R78 A123 F129 F130 E131 I245R78-E127 IonicContact CZ-OE2 3.74Å; R78-E127 VanDerWaalsContact CZ-OE2 3.23Å; R78-E127 IonicContact NH1-OE2 3.01Å; R78-E127 PolarHBondContact NH1-OE2 2.84Å; R78-E127 IonicContact NH2-OE1 2.89Å; R78-E127 PolarHBondContact NH2-OE1 2.91Å; R78-E127 VanDerWaalsContact NH2-OE1 3.09Å; R78-E127 IonicContact NH2-OE2 3.47Å; R78-E127 PolarHBondContact NH2-OE2 3.19Å; A123-E127 WeakPolarHBondContact O-CB 3.45Å; A123-E127 WeakPolarHBondContact O-CG 3.37Å; A123-E127 PolarHBondContact O-N 3.1Å; E127-F129 VanDerWaalsContact C-N 3.26Å; E127-F129 PolarHBondContact O-N 2.89Å; E127-F130 PolarHBondContact O-N 3.4Å; E127-F130 VanDerWaalsContact O-N 3.1Å; E127-E131 WeakPolarHBondContact O-CB 3.46Å; E127-E131 WeakPolarHBondContact O-CG 3.31Å; E127-E131 PolarHBondContact O-N 2.79Å; E127-I245 HydrophobicContact CG-CD1 3.73Å
128K90.1Very high85.8Confident66 Ų6638.2 Ų38.229%0.28721%0.214SC..Hα-helixtrans-57.4-34.9177.6-175.3166.5-176.6166.60113.4E69 H70 A124 F126 F132E69-K128 PolarHBondContact O-NZ 2.99Å; H70-K128 HydrophobicContact CB-CD 4.31Å; H70-K128 WeakPolarHBondContact O-CD 3.5Å; A124-K128 VanDerWaalsContact O-CB 3.29Å; A124-K128 WeakPolarHBondContact O-CB 3.42Å; A124-K128 PolarHBondContact O-N 3.29Å; F126-K128 PolarHBondContact O-N 3.46Å; K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 2.86Å; K128-F132 VanDerWaalsContact O-N 3.13Å
129F90.6Very high83.7Confident1 Ų146.1 Ų46.10%0.00425%0.251CS..Hα-helixtrans-83.1-29.7178.3-83.2-110.2000112.8H70 V125 F126 E127 H133 K144 A146 I158 A160H70-F129 AromaticContact ND1-CE2 3.82Å; V125-F129 HydrophobicContact CG2-CD2 4.32Å; V125-F129 HydrophobicContact CG2-CE2 4.22Å; V125-F129 WeakPolarHBondContact O-CD2 3.44Å; V125-F129 PolarHBondContact O-N 3.24Å; F126-F129 PolarHBondContact O-N 3.38Å; F126-F129 VanDerWaalsContact O-N 3.14Å; E127-F129 VanDerWaalsContact C-N 3.26Å; E127-F129 PolarHBondContact O-N 2.89Å; F129-H133 WeakPolarHBondContact O-CB 3.47Å; F129-H133 PolarHBondContact O-N 2.82Å; F129-K144 HydrophobicContact CE1-CB 4.34Å; F129-K144 HydrophobicContact CE1-CG 4.25Å; F129-K144 WeakPolarHBondContact CE1-O 3.34Å; F129-K144 HydrophobicContact CZ-CG 4.01Å; F129-A146 HydrophobicContact CE1-CB 4.4Å; F129-A146 HydrophobicContact CE2-CB 3.64Å; F129-A146 HydrophobicContact CZ-CB 3.5Å; F129-A146 VanDerWaalsContact CZ-CB 3.5Å; F129-I158 HydrophobicContact CB-CG2 3.99Å; F129-I158 HydrophobicContact CD1-CB 4.42Å; F129-I158 HydrophobicContact CD1-CG2 3.63Å; F129-I158 HydrophobicContact CD2-CG2 4.39Å; F129-I158 HydrophobicContact CE1-CG2 4.2Å; F129-I158 VanDerWaalsContact CE1-O 3.27Å; F129-I158 WeakPolarHBondContact CE1-O 3.29Å; F129-I158 HydrophobicContact CG-CG2 3.74Å; F129-A160 HydrophobicContact CD1-CB 4Å
130F90.2Very high81.7Confident8 Ų846.4 Ų46.44%0.03526%0.258CS..Hα-helixtrans-73.6-41.4175.5-62.4-0.7000110.8F126 E127 H133 A134 V165 L231 L236 S241 T244 I245F126-F130 HydrophobicContact CB-CE1 4.3Å; F126-F130 HydrophobicContact CB-CE2 4.27Å; F126-F130 HydrophobicContact CB-CZ 4.01Å; F126-F130 HydrophobicContact CD1-CE1 4.46Å; F126-F130 HydrophobicContact CD1-CZ 4.36Å; F126-F130 WeakPolarHBondContact O-CD1 3.26Å; F126-F130 WeakPolarHBondContact O-CG 3.37Å; F126-F130 PolarHBondContact O-N 3.15Å; E127-F130 PolarHBondContact O-N 3.4Å; E127-F130 VanDerWaalsContact O-N 3.1Å; F130-H133 PolarHBondContact O-N 3.28Å; F130-A134 WeakPolarHBondContact O-CB 3.29Å; F130-A134 PolarHBondContact O-N 3.39Å; F130-V165 HydrophobicContact CD1-CG1 4.31Å; F130-V165 HydrophobicContact CD1-CG2 4.31Å; F130-V165 HydrophobicContact CE1-CG1 4.11Å; F130-L231 HydrophobicContact CE1-CD1 3.97Å; F130-L231 HydrophobicContact CZ-CD1 3.89Å; F130-L236 HydrophobicContact CD1-CD2 3.57Å; F130-L236 HydrophobicContact CD2-CD2 3.96Å; F130-L236 HydrophobicContact CE1-CD2 3.5Å; F130-L236 HydrophobicContact CE2-CD2 3.89Å; F130-L236 HydrophobicContact CG-CD2 3.82Å; F130-L236 HydrophobicContact CZ-CD2 3.67Å; F130-S241 WeakPolarHBondContact CD2-OG 3.28Å; F130-T244 HydrophobicContact CE2-CG2 4.43Å; F130-T244 HydrophobicContact CZ-CG2 4.24Å; F130-I245 HydrophobicContact CE2-CD1 4.19Å; F130-I245 HydrophobicContact CE2-CG1 3.82Å; F130-I245 HydrophobicContact CZ-CG1 4.4Å
131E86.8Confident79.4Confident125 Ų12553.1 Ų53.158%0.58430%0.299SS*.Hα-helixtrans-62.1-45.6171.1-72.6178174.300111.4E127 H133 A134 S135E127-E131 WeakPolarHBondContact O-CB 3.46Å; E127-E131 WeakPolarHBondContact O-CG 3.31Å; E127-E131 PolarHBondContact O-N 2.79Å; E131-H133 PolarHBondContact O-N 3.12Å; E131-A134 PolarHBondContact O-N 3.49Å; E131-S135 WeakPolarHBondContact O-CB 3.35Å; E131-S135 PolarHBondContact O-N 2.93Å; E131-S135 PolarHBondContact O-OG 2.82Å
132F84.7Confident77.5Confident53 Ų5354.9 Ų54.923%0.23232%0.317CS..Hα-helixtrans-58.5-48.4176.7-176.3-110.5000111.4K128 A134 S135 M136 K144 A160K128-F132 WeakPolarHBondContact O-CB 3.47Å; K128-F132 PolarHBondContact O-N 2.86Å; K128-F132 VanDerWaalsContact O-N 3.13Å; F132-A134 PolarHBondContact O-N 3.17Å; F132-S135 WeakPolarHBondContact CA-OG 3.36Å; F132-S135 PolarHBondContact O-N 3.26Å; F132-S135 PolarHBondContact O-OG 3.33Å; F132-M136 HydrophobicContact CD1-SD 3.72Å; F132-M136 HydrophobicContact CE1-CE 3.6Å; F132-M136 HydrophobicContact CE1-CG 4.44Å; F132-M136 HydrophobicContact CE1-SD 3.26Å; F132-M136 WeakPolarHBondContact CE1-SD 3.4Å; F132-M136 HydrophobicContact CE2-CE 4.03Å; F132-M136 HydrophobicContact CE2-CG 4.45Å; F132-M136 HydrophobicContact CE2-SD 4.15Å; F132-M136 HydrophobicContact CG-SD 4.35Å; F132-M136 HydrophobicContact CZ-CE 3.28Å; F132-M136 HydrophobicContact CZ-CG 4.38Å; F132-M136 HydrophobicContact CZ-SD 3.52Å; F132-M136 VanDerWaalsContact CZ-SD 3.52Å; F132-M136 WeakPolarHBondContact O-CB 3.47Å; F132-M136 WeakPolarHBondContact O-CG 3.41Å; F132-M136 PolarHBondContact O-N 3.27Å; F132-K144 HydrophobicContact CD1-CB 4.23Å; F132-K144 HydrophobicContact CE1-CB 3.52Å; F132-K144 HydrophobicContact CE1-CD 4.37Å; F132-K144 HydrophobicContact CE2-CD 4.39Å; F132-K144 HydrophobicContact CZ-CB 3.82Å; F132-K144 HydrophobicContact CZ-CD 4.23Å; F132-A160 HydrophobicContact CD1-CB 3.68Å; F132-A160 HydrophobicContact CE1-CB 4.19Å
133H83.5Confident75.9Confident21 Ų2158.7 Ų58.710%0.09734%0.344CS..Hα-helixtrans-59.1-44.3173.4172.176.6000112.6F129 F130 E131 S135 M136 A160 L161 A162 V165 L236F129-H133 WeakPolarHBondContact O-CB 3.47Å; F129-H133 PolarHBondContact O-N 2.82Å; F130-H133 PolarHBondContact O-N 3.28Å; E131-H133 PolarHBondContact O-N 3.12Å; H133-S135 VanDerWaalsContact C-N 3.3Å; H133-S135 PolarHBondContact O-N 3.18Å; H133-M136 PolarHBondContact O-N 3.47Å; H133-A160 HydrophobicContact CB-CB 4.47Å; H133-L161 PolarHBondContact ND1-O 3.48Å; H133-A162 PolarHBondContact CE1-O 3.16Å; H133-V165 HydrophobicContact CB-CG2 3.79Å; H133-L236 VanDerWaalsContact CD2-CD1 3.42Å; H133-L236 WeakPolarHBondContact CD2-CD1 3.33Å
134A82.5Confident75.1Confident84 Ų8462.9 Ų62.969%0.69436%0.362SS*.Hα-helixtrans-65.4-31177.300000113.3F130 E131 F132F130-A134 WeakPolarHBondContact O-CB 3.29Å; F130-A134 PolarHBondContact O-N 3.39Å; E131-A134 PolarHBondContact O-N 3.49Å; F132-A134 PolarHBondContact O-N 3.17Å
135S79.9Confident74.9Confident93 Ų9367.4 Ų67.465%0.6538%0.381SS*.Hα-helixtrans-81.5-21.117972.90000114.4E131 F132 H133E131-S135 WeakPolarHBondContact O-CB 3.35Å; E131-S135 PolarHBondContact O-N 2.93Å; E131-S135 PolarHBondContact O-OG 2.82Å; F132-S135 WeakPolarHBondContact CA-OG 3.36Å; F132-S135 PolarHBondContact O-N 3.26Å; F132-S135 PolarHBondContact O-OG 3.33Å; H133-S135 VanDerWaalsContact C-N 3.3Å; H133-S135 PolarHBondContact O-N 3.18Å
136M67Low74.8Confident41 Ų4167.4 Ų67.420%0.20238%0.382CS..Hα-helixtrans-80.3-21.6-165-103.8-175.614000115.3F132 H133 A140 G142F132-M136 HydrophobicContact CD1-SD 3.72Å; F132-M136 HydrophobicContact CE1-CE 3.6Å; F132-M136 HydrophobicContact CE1-CG 4.44Å; F132-M136 HydrophobicContact CE1-SD 3.26Å; F132-M136 WeakPolarHBondContact CE1-SD 3.4Å; F132-M136 HydrophobicContact CE2-CE 4.03Å; F132-M136 HydrophobicContact CE2-CG 4.45Å; F132-M136 HydrophobicContact CE2-SD 4.15Å; F132-M136 HydrophobicContact CG-SD 4.35Å; F132-M136 HydrophobicContact CZ-CE 3.28Å; F132-M136 HydrophobicContact CZ-CG 4.38Å; F132-M136 HydrophobicContact CZ-SD 3.52Å; F132-M136 VanDerWaalsContact CZ-SD 3.52Å; F132-M136 WeakPolarHBondContact O-CB 3.47Å; F132-M136 WeakPolarHBondContact O-CG 3.41Å; F132-M136 PolarHBondContact O-N 3.27Å; H133-M136 PolarHBondContact O-N 3.47Å; M136-A140 HydrophobicContact CB-CB 3.98Å; M136-A140 HydrophobicContact CE-CB 3.85Å; M136-A140 HydrophobicContact CG-CB 4.09Å; M136-A140 HydrophobicContact SD-CB 3.61Å; M136-G142 WeakPolarHBondContact CE-O 3.33Å
137G58.3Low74.8Confident49 Ų4969.6 Ų69.651%0.50540%0.395SS..  trans57.5-159.4-17200000112.8E139G137-E139 VanDerWaalsContact C-N 3.33Å
138E52.5Low74.9Confident190 Ų19068.5 Ų68.589%0.88839%0.39SS*.SBendtrans-77.4-18.7176.7-64.4-174.8153.500112.8A140E138-A140 VanDerWaalsContact C-N 3.26Å; E138-A140 PolarHBondContact O-N 3.47Å; E138-A140 VanDerWaalsContact O-N 3.16Å
139E49.9Very low75.1Confident179 Ų17968.2 Ų68.284%0.83639%0.389SS*.  trans-89.235.8-174.1-59.6-167.5152.900113.8G137 V141G137-E139 VanDerWaalsContact C-N 3.33Å; E139-V141 VanDerWaalsContact C-N 3.32Å; E139-V141 PolarHBondContact O-N 2.88Å
140A52.3Low75.3Confident27 Ų2768.4 Ų68.422%0.22339%0.39CS..  trans-71.368.8-17200000114.8M136 E138 G142 A162M136-A140 HydrophobicContact CB-CB 3.98Å; M136-A140 HydrophobicContact CE-CB 3.85Å; M136-A140 HydrophobicContact CG-CB 4.09Å; M136-A140 HydrophobicContact SD-CB 3.61Å; E138-A140 VanDerWaalsContact C-N 3.26Å; E138-A140 PolarHBondContact O-N 3.47Å; E138-A140 VanDerWaalsContact O-N 3.16Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-G142 PolarHBondContact O-N 3.11Å; A140-A162 HydrophobicContact CB-CB 3.89Å
141V48.1Very low75.5Confident148 Ų14870.7 Ų70.790%0.89740%0.398SS*.  trans-77.573.5176.5-170.10000111.3E139E139-V141 VanDerWaalsContact C-N 3.32Å; E139-V141 PolarHBondContact O-N 2.88Å
142G53.5Low75.6Confident37 Ų3770.8 Ų70.838%0.38141%0.41SS..  trans166.6104.8170.200000115.2M136 A140 K144M136-G142 WeakPolarHBondContact CE-O 3.33Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-G142 PolarHBondContact O-N 3.11Å; G142-K144 VanDerWaalsContact C-N 3.33Å; G142-K144 PolarHBondContact O-N 3.01Å
143C59.9Low76Confident87 Ų8770.9 Ų70.959%0.58841%0.413SS*.  trans-70.685.2171.3-64.70000110.9
144K77.4Confident76.5Confident88 Ų8870 Ų7038%0.38341%0.409SS..  trans-68.5133.3168.3-164.7166.3-168.5160.50108.9F129 F132 G142 S159 A160F129-K144 HydrophobicContact CE1-CB 4.34Å; F129-K144 HydrophobicContact CE1-CG 4.25Å; F129-K144 WeakPolarHBondContact CE1-O 3.34Å; F129-K144 HydrophobicContact CZ-CG 4.01Å; F132-K144 HydrophobicContact CD1-CB 4.23Å; F132-K144 HydrophobicContact CE1-CB 3.52Å; F132-K144 HydrophobicContact CE1-CD 4.37Å; F132-K144 HydrophobicContact CE2-CD 4.39Å; F132-K144 HydrophobicContact CZ-CB 3.82Å; F132-K144 HydrophobicContact CZ-CD 4.23Å; G142-K144 VanDerWaalsContact C-N 3.33Å; G142-K144 PolarHBondContact O-N 3.01Å; K144-S159 WeakPolarHBondContact O-CA 3.35Å; K144-S159 PolarHBondContact O-OG 3.45Å; K144-A160 PolarHBondContact O-N 2.84Å
145K87Confident77.1Confident95 Ų9566.7 Ų66.741%0.41338%0.38SS..EExtended strand (participates in β ladder)trans-123.7145.3175.4-61.3-176.4-174.4179.70109.7I158 E212K145-I158 CarbonylContact C-O 3.58Å; K145-I158 VanDerWaalsContact CA-O 3.27Å; K145-I158 WeakPolarHBondContact CA-O 3.47Å; K145-E212 PolarHBondContact NZ-O 3.21Å
146A91.2Very high77.8Confident1 Ų162.4 Ų62.41%0.00835%0.35CS..EExtended strand (participates in β ladder)trans-115.2145.9164.800000108.4H70 V125 F129 Y157 I158H70-A146 WeakPolarHBondContact CE1-CB 3.43Å; H70-A146 VanDerWaalsContact NE2-CB 3.28Å; H70-A146 WeakPolarHBondContact NE2-CB 3.49Å; V125-A146 HydrophobicContact CG2-CB 3.74Å; F129-A146 HydrophobicContact CE1-CB 4.4Å; F129-A146 HydrophobicContact CE2-CB 3.64Å; F129-A146 HydrophobicContact CZ-CB 3.5Å; F129-A146 VanDerWaalsContact CZ-CB 3.5Å; A146-Y157 WeakPolarHBondContact O-CA 3.28Å; A146-I158 HydrophobicContact CB-CB 4.3Å; A146-I158 PolarHBondContact N-O 3.16Å; A146-I158 PolarHBondContact O-N 3.5Å
147V93.4Very high79.1Confident45 Ų4560.9 Ų60.927%0.27334%0.342SS..EExtended strand (participates in β ladder)trans-128.5117.3175.6-171.80000106.3T155 Y157V147-T155 HydrophobicContact CG1-CG2 3.44Å; V147-T155 VanDerWaalsContact CG1-CG2 3.44Å; V147-Y157 HydrophobicContact CB-CD1 4.37Å; V147-Y157 HydrophobicContact CB-CE1 4.36Å; V147-Y157 HydrophobicContact CG1-CD1 4.02Å; V147-Y157 HydrophobicContact CG1-CE1 3.61Å; V147-Y157 HydrophobicContact CG2-CD1 3.85Å; V147-Y157 HydrophobicContact CG2-CE1 3.95Å
148I94.5Very high80.8Confident0 Ų058.6 Ų58.60%032%0.318CS..EExtended strand (participates in β ladder)trans-123.8115.9-178.5-50.5-64.6000109.2F63 E66 L67 V125 Y150 L156F63-I148 HydrophobicContact CB-CG2 4.42Å; F63-I148 HydrophobicContact CD2-CG2 3.85Å; F63-I148 HydrophobicContact CG-CG2 4.36Å; E66-I148 HydrophobicContact CB-CD1 3.84Å; E66-I148 WeakPolarHBondContact OE2-CA 3.49Å; L67-I148 HydrophobicContact CD2-CD1 3.99Å; L67-I148 HydrophobicContact CD2-CG1 4.39Å; L67-I148 HydrophobicContact CD2-CG2 4.21Å; V125-I148 HydrophobicContact CG2-CD1 4.37Å; V125-I148 HydrophobicContact CG2-CG1 4.41Å; I148-Y150 PolarHBondContact O-N 3.42Å; I148-L156 HydrophobicContact CB-CB 4.27Å; I148-L156 PolarHBondContact N-O 2.94Å; I148-L156 PolarHBondContact O-N 3.16Å
149H94.6Very high82.6Confident60 Ų6050.2 Ų50.228%0.27828%0.281SS..EExtended strand (participates in β ladder)trans-82.965.5177.3-65.497.6000110.8F63 E66 R151 T155 D217F63-H149 WeakPolarHBondContact CB-O 3.49Å; F63-H149 WeakPolarHBondContact CD1-O 3.29Å; E66-H149 IonicContact OE1-CE1 3.78Å; E66-H149 IonicContact OE1-CG 2.63Å; E66-H149 IonicContact OE1-ND1 2.66Å; E66-H149 PolarHBondContact OE1-ND1 3.01Å; E66-H149 PolarHBondContact OE2-N 3.25Å; E66-H149 IonicContact OE2-ND1 3.34Å; H149-R151 PolarHBondContact O-N 3.19Å; H149-T155 PolarHBondContact CD2-OG1 3.44Å; H149-T155 PolarHBondContact NE2-OG1 3.15Å; H149-D217 IonicContact CE1-OD2 3.6Å; H149-D217 IonicContact NE2-OD2 2.7Å
150Y94Very high84.5Confident6 Ų641.8 Ų41.82%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-60.4-18.2-176.269.7-80.3000113.3F63 I148 E154 T155 L156 F169 S170 R252F63-Y150 WeakPolarHBondContact CE1-O 3.48Å; I148-Y150 PolarHBondContact O-N 3.42Å; Y150-E154 WeakPolarHBondContact CD1-O 3.32Å; Y150-E154 HydrophobicContact CE1-CB 3.91Å; Y150-E154 WeakPolarHBondContact CE1-O 3.36Å; Y150-E154 HydrophobicContact CE2-CB 4.03Å; Y150-E154 PolarHBondContact N-O 3.03Å; Y150-E154 WeakPolarHBondContact OH-CB 3.34Å; Y150-E154 PolarHBondContact OH-OE2 3.45Å; Y150-T155 VanDerWaalsContact CE1-C 3.48Å; Y150-L156 HydrophobicContact CD1-CB 3.61Å; Y150-L156 HydrophobicContact CE1-CB 3.87Å; Y150-F169 HydrophobicContact CE1-CD1 4.41Å; Y150-S170 PolarHBondContact OH-O 3.44Å; Y150-S170 VanDerWaalsContact OH-O 3.1Å; Y150-R252 HydrophobicContact CE2-CB 4.26Å; Y150-R252 HydrophobicContact CE2-CG 3.85Å
151R93.8Very high86.1Confident55 Ų5543.2 Ų43.221%0.20825%0.245CC..EExtended strand (participates in β ladder)trans-141.5160.2165.3-56.3173.55574.416.8109.6D39 H149 D153 E154D39-R151 HydrophobicContact CB-CG 4.4Å; H149-R151 PolarHBondContact O-N 3.19Å; R151-D153 PolarHBondContact O-N 3.47Å; R151-D153 VanDerWaalsContact O-N 3.09Å; R151-E154 HydrophobicContact CB-CB 4Å; R151-E154 HydrophobicContact CB-CG 4.3Å; R151-E154 WeakPolarHBondContact CD-OE1 3.36Å; R151-E154 HydrophobicContact CG-CB 4.5Å; R151-E154 IonicContact CZ-OE1 2.83Å; R151-E154 PolarHBondContact N-O 2.86Å; R151-E154 IonicContact NE-OE1 2.65Å; R151-E154 PolarHBondContact NE-OE1 3.47Å; R151-E154 PolarHBondContact O-N 3.27Å; R151-E154 VanDerWaalsContact O-O 3.04Å
152P90.7Very high87.7Confident127 Ų12738.5 Ų38.583%0.82522%0.222SC*.THydrogen-bonded Turntrans-59.9-23.8-178.4-24.134.9000114.8
153D91.6Very high89.3Confident55 Ų5540.5 Ų40.529%0.29422%0.223SC..THydrogen-bonded Turntrans-114.61.2-178.650.4-16.2000113.5R151 V172 K174R151-D153 PolarHBondContact O-N 3.47Å; R151-D153 VanDerWaalsContact O-N 3.09Å; D153-V172 HydrophobicContact CB-CG2 4.48Å; D153-V172 WeakPolarHBondContact O-CG2 3.19Å; D153-K174 IonicContact OD2-NZ 2.73Å
154E94.3Very high90.7Very high2 Ų239.7 Ų39.71%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-137.9128-173.5-52.8179.1-127.700111.9Y150 R151 S170 T171 V172 R252Y150-E154 WeakPolarHBondContact CD1-O 3.32Å; Y150-E154 HydrophobicContact CE1-CB 3.91Å; Y150-E154 WeakPolarHBondContact CE1-O 3.36Å; Y150-E154 HydrophobicContact CE2-CB 4.03Å; Y150-E154 PolarHBondContact N-O 3.03Å; Y150-E154 WeakPolarHBondContact OH-CB 3.34Å; Y150-E154 PolarHBondContact OH-OE2 3.45Å; R151-E154 HydrophobicContact CB-CB 4Å; R151-E154 HydrophobicContact CB-CG 4.3Å; R151-E154 WeakPolarHBondContact CD-OE1 3.36Å; R151-E154 HydrophobicContact CG-CB 4.5Å; R151-E154 IonicContact CZ-OE1 2.83Å; R151-E154 PolarHBondContact N-O 2.86Å; R151-E154 IonicContact NE-OE1 2.65Å; R151-E154 PolarHBondContact NE-OE1 3.47Å; R151-E154 PolarHBondContact O-N 3.27Å; R151-E154 VanDerWaalsContact O-O 3.04Å; E154-S170 WeakPolarHBondContact CB-O 3.25Å; E154-T171 WeakPolarHBondContact OE2-CB 3.24Å; E154-T171 PolarHBondContact OE2-OG1 2.92Å; E154-V172 HydrophobicContact CG-CB 4.41Å; E154-V172 HydrophobicContact CG-CG2 4.46Å; E154-R252 IonicContact OE1-CZ 3.09Å; E154-R252 IonicContact OE1-NE 2.8Å; E154-R252 PolarHBondContact OE1-NE 3.47Å; E154-R252 IonicContact OE1-NH2 3.95Å; E154-R252 PolarHBondContact OE1-NH2 2.75Å; E154-R252 IonicContact OE2-CZ 2.69Å; E154-R252 IonicContact OE2-NE 2.75Å; E154-R252 PolarHBondContact OE2-NE 3.35Å; E154-R252 IonicContact OE2-NH2 2.69Å
155T94.6Very high91.5Very high16 Ų1635.5 Ų35.510%0.09819%0.19CC..EExtended strand (participates in β ladder)trans-120.5137.4-172.3-46.30000111.8V147 H149 Y150 Y157 S170V147-T155 HydrophobicContact CG1-CG2 3.44Å; V147-T155 VanDerWaalsContact CG1-CG2 3.44Å; H149-T155 PolarHBondContact CD2-OG1 3.44Å; H149-T155 PolarHBondContact NE2-OG1 3.15Å; Y150-T155 VanDerWaalsContact CE1-C 3.48Å; T155-Y157 HydrophobicContact CG2-CD2 4.25Å; T155-Y157 HydrophobicContact CG2-CE1 4.03Å; T155-Y157 HydrophobicContact CG2-CE2 3.65Å; T155-S170 PolarHBondContact N-O 3.07Å; T155-S170 WeakPolarHBondContact O-CB 3.22Å; T155-S170 PolarHBondContact O-N 3.37Å
156L95.1Very high91.8Very high2 Ų231.3 Ų31.31%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-107.5116.5177.4168.962.7000108.9F126 I148 Y150 I158 V167 F169F126-L156 HydrophobicContact CZ-CD2 4.05Å; I148-L156 HydrophobicContact CB-CB 4.27Å; I148-L156 PolarHBondContact N-O 2.94Å; I148-L156 PolarHBondContact O-N 3.16Å; Y150-L156 HydrophobicContact CD1-CB 3.61Å; Y150-L156 HydrophobicContact CE1-CB 3.87Å; L156-I158 HydrophobicContact CD1-CG1 4.24Å; L156-I158 HydrophobicContact CD2-CD1 4.23Å; L156-I158 HydrophobicContact CG-CD1 4.29Å; L156-I158 HydrophobicContact CG-CG1 4.21Å; L156-V167 HydrophobicContact CD1-CG1 3.57Å; L156-F169 HydrophobicContact CD1-CD1 3.95Å; L156-F169 HydrophobicContact CD1-CD2 4.27Å; L156-F169 HydrophobicContact CD1-CE1 3.72Å; L156-F169 HydrophobicContact CD1-CE2 4.05Å; L156-F169 HydrophobicContact CD1-CG 4.21Å; L156-F169 HydrophobicContact CD1-CZ 3.76Å; L156-F169 HydrophobicContact CD2-CE1 4.48Å
157Y94.6Very high92Very high9 Ų931.2 Ų31.24%0.03517%0.172CC..EExtended strand (participates in β ladder)trans-103.8130.4175.3-56.2-92.6000109.6A146 V147 T155 V167 I168 L213 T216 D217 A218A146-Y157 WeakPolarHBondContact O-CA 3.28Å; V147-Y157 HydrophobicContact CB-CD1 4.37Å; V147-Y157 HydrophobicContact CB-CE1 4.36Å; V147-Y157 HydrophobicContact CG1-CD1 4.02Å; V147-Y157 HydrophobicContact CG1-CE1 3.61Å; V147-Y157 HydrophobicContact CG2-CD1 3.85Å; V147-Y157 HydrophobicContact CG2-CE1 3.95Å; T155-Y157 HydrophobicContact CG2-CD2 4.25Å; T155-Y157 HydrophobicContact CG2-CE1 4.03Å; T155-Y157 HydrophobicContact CG2-CE2 3.65Å; Y157-V167 CarbonylContact O-C 3.49Å; Y157-V167 WeakPolarHBondContact O-CA 3.34Å; Y157-I168 PolarHBondContact N-O 3.17Å; Y157-I168 PolarHBondContact O-N 2.9Å; Y157-L213 HydrophobicContact CD1-CD2 3.63Å; Y157-L213 HydrophobicContact CD2-CD1 3.7Å; Y157-L213 HydrophobicContact CD2-CD2 3.95Å; Y157-L213 HydrophobicContact CE1-CD2 4.22Å; Y157-L213 HydrophobicContact CE2-CD1 3.87Å; Y157-L213 HydrophobicContact CE2-CD2 4.48Å; Y157-L213 HydrophobicContact CG-CD1 4.15Å; Y157-L213 HydrophobicContact CG-CD2 3.5Å; Y157-L213 VanDerWaalsContact CG-CD2 3.5Å; Y157-T216 HydrophobicContact CE1-CG2 4.35Å; Y157-D217 PolarHBondContact OH-OD1 3.17Å; Y157-A218 WeakPolarHBondContact OH-CA 3.5Å; Y157-A218 PolarHBondContact OH-N 3Å
158I93.8Very high92.1Very high1 Ų129.3 Ų29.31%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-123.4129.7175.1-58161.6000107.9V125 F126 F129 K145 A146 L156 V165 T166 V167V125-I158 HydrophobicContact CB-CD1 4.35Å; V125-I158 HydrophobicContact CG1-CD1 3.77Å; V125-I158 HydrophobicContact CG2-CD1 3.72Å; F126-I158 HydrophobicContact CD1-CD1 3.83Å; F126-I158 HydrophobicContact CE1-CD1 3.53Å; F126-I158 HydrophobicContact CE1-CG1 4.13Å; F126-I158 HydrophobicContact CZ-CD1 4.05Å; F129-I158 HydrophobicContact CB-CG2 3.99Å; F129-I158 HydrophobicContact CD1-CB 4.42Å; F129-I158 HydrophobicContact CD1-CG2 3.63Å; F129-I158 HydrophobicContact CD2-CG2 4.39Å; F129-I158 HydrophobicContact CE1-CG2 4.2Å; F129-I158 VanDerWaalsContact CE1-O 3.27Å; F129-I158 WeakPolarHBondContact CE1-O 3.29Å; F129-I158 HydrophobicContact CG-CG2 3.74Å; K145-I158 CarbonylContact C-O 3.58Å; K145-I158 VanDerWaalsContact CA-O 3.27Å; K145-I158 WeakPolarHBondContact CA-O 3.47Å; A146-I158 HydrophobicContact CB-CB 4.3Å; A146-I158 PolarHBondContact N-O 3.16Å; A146-I158 PolarHBondContact O-N 3.5Å; L156-I158 HydrophobicContact CD1-CG1 4.24Å; L156-I158 HydrophobicContact CD2-CD1 4.23Å; L156-I158 HydrophobicContact CG-CD1 4.29Å; L156-I158 HydrophobicContact CG-CG1 4.21Å; I158-V165 HydrophobicContact CG2-CG1 4.14Å; I158-T166 WeakPolarHBondContact CA-O 3.23Å; I158-V167 HydrophobicContact CG1-CG1 4.23Å; I158-V167 HydrophobicContact CG1-CG2 4.45Å; I158-V167 HydrophobicContact CG2-CG2 4.42Å
159S90.5Very high92.1Very high15 Ų1529.5 Ų29.511%0.10516%0.161CC..EExtended strand (participates in β ladder)trans-132.7136.8175.8-165.50000110.5K144 T166K144-S159 WeakPolarHBondContact O-CA 3.35Å; K144-S159 PolarHBondContact O-OG 3.45Å; S159-T166 PolarHBondContact N-O 3.12Å; S159-T166 PolarHBondContact O-N 3.37Å; S159-T166 PolarHBondContact O-OG1 3.3Å
160A89.3Confident92.1Very high1 Ų126.8 Ų26.81%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-98.9134171.300000109.7F129 F132 H133 K144 V165F129-A160 HydrophobicContact CD1-CB 4Å; F132-A160 HydrophobicContact CD1-CB 3.68Å; F132-A160 HydrophobicContact CE1-CB 4.19Å; H133-A160 HydrophobicContact CB-CB 4.47Å; K144-A160 PolarHBondContact O-N 2.84Å; A160-V165 HydrophobicContact CB-CG2 4.29Å
161L85.6Confident92.1Very high57 Ų5726.5 Ų26.530%0.29815%0.147SC..  trans-120.5170.5171.3-59.9172.8000108.6H133 D163 R164 T166H133-L161 PolarHBondContact ND1-O 3.48Å; L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.19Å; L161-R164 CarbonylContact C-O 3.56Å; L161-R164 WeakPolarHBondContact CA-O 3.16Å; L161-R164 HydrophobicContact CB-CG 4.12Å; L161-R164 WeakPolarHBondContact CB-O 3.46Å; L161-R164 HydrophobicContact CD1-CG 3.97Å; L161-R164 PolarHBondContact N-O 3.01Å; L161-R164 VanDerWaalsContact O-O 3.11Å; L161-T166 HydrophobicContact CD1-CG2 4.38Å
162A81.7Confident92Very high50 Ų5025.2 Ų25.241%0.41315%0.146SC..SBendtrans-56.7-41.1-178.800000113.3H133 A140H133-A162 PolarHBondContact CE1-O 3.16Å; A140-A162 HydrophobicContact CB-CB 3.89Å
163D86.9Confident92.1Very high78 Ų7819.2 Ų19.242%0.41711%0.107SC..SBendtrans-108.1-7.2-171.177.5-40.7000114.5L161 P233L161-D163 VanDerWaalsContact C-N 3.31Å; L161-D163 PolarHBondContact O-N 3.19Å; D163-P233 WeakPolarHBondContact O-CD 3.42Å
164R90.9Very high92.1Very high70 Ų7024.3 Ų24.326%0.26413%0.126SC..  trans-161.3157.3-17367.1-165.161.5-155.5-0.7112.2L161 T166 V230 L231 F232L161-R164 CarbonylContact C-O 3.56Å; L161-R164 WeakPolarHBondContact CA-O 3.16Å; L161-R164 HydrophobicContact CB-CG 4.12Å; L161-R164 WeakPolarHBondContact CB-O 3.46Å; L161-R164 HydrophobicContact CD1-CG 3.97Å; L161-R164 PolarHBondContact N-O 3.01Å; L161-R164 VanDerWaalsContact O-O 3.11Å; R164-T166 HydrophobicContact CG-CG2 4.27Å; R164-V230 HydrophobicContact CB-CG1 3.94Å; R164-V230 HydrophobicContact CG-CG1 4.2Å; R164-L231 WeakPolarHBondContact CA-O 3.48Å; R164-F232 HydrophobicContact CB-CD1 4.44Å
165V92.8Very high92Very high0 Ų029 Ų290%015%0.148CC..EExtended strand (participates in β ladder)trans-106.7130162.5174.40000108.5F130 H133 I158 A160 V167 L231 L236F130-V165 HydrophobicContact CD1-CG1 4.31Å; F130-V165 HydrophobicContact CD1-CG2 4.31Å; F130-V165 HydrophobicContact CE1-CG1 4.11Å; H133-V165 HydrophobicContact CB-CG2 3.79Å; I158-V165 HydrophobicContact CG2-CG1 4.14Å; A160-V165 HydrophobicContact CB-CG2 4.29Å; V165-V167 HydrophobicContact CG1-CG2 4.4Å; V165-L231 HydrophobicContact CB-CB 4.42Å; V165-L231 PolarHBondContact N-O 3.11Å; V165-L231 WeakPolarHBondContact O-CB 3.38Å; V165-L231 PolarHBondContact O-N 3.13Å; V165-L236 HydrophobicContact CB-CD1 4.04Å; V165-L236 HydrophobicContact CG2-CD1 3.56Å
166T93.8Very high91.8Very high7 Ų731.7 Ų31.74%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-103.1135.6175.459.70000110.3I158 S159 L161 R164 F229 V230I158-T166 WeakPolarHBondContact CA-O 3.23Å; S159-T166 PolarHBondContact N-O 3.12Å; S159-T166 PolarHBondContact O-N 3.37Å; S159-T166 PolarHBondContact O-OG1 3.3Å; L161-T166 HydrophobicContact CD1-CG2 4.38Å; R164-T166 HydrophobicContact CG-CG2 4.27Å; T166-F229 WeakPolarHBondContact CA-O 3.28Å; T166-V230 HydrophobicContact CG2-CG2 4.32Å
167V95.4Very high91.8Very high0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-126.9113.1178.3-176.80000107.2F126 L156 Y157 I158 V165 F169 F229 L231 I248F126-V167 HydrophobicContact CE1-CG1 4.1Å; F126-V167 HydrophobicContact CE1-CG2 4.24Å; L156-V167 HydrophobicContact CD1-CG1 3.57Å; Y157-V167 CarbonylContact O-C 3.49Å; Y157-V167 WeakPolarHBondContact O-CA 3.34Å; I158-V167 HydrophobicContact CG1-CG1 4.23Å; I158-V167 HydrophobicContact CG1-CG2 4.45Å; I158-V167 HydrophobicContact CG2-CG2 4.42Å; V165-V167 HydrophobicContact CG1-CG2 4.4Å; V167-F169 HydrophobicContact CG1-CD2 4.22Å; V167-F169 HydrophobicContact CG1-CE2 3.57Å; V167-F169 HydrophobicContact CG1-CZ 4.11Å; V167-F229 HydrophobicContact CB-CB 4.4Å; V167-F229 PolarHBondContact N-O 3.13Å; V167-F229 PolarHBondContact O-N 2.83Å; V167-L231 HydrophobicContact CG2-CD1 4.01Å; V167-I248 HydrophobicContact CB-CG1 4.45Å; V167-I248 HydrophobicContact CG1-CD1 4.48Å; V167-I248 HydrophobicContact CG1-CG1 4.02Å
168I95.3Very high91.8Very high4 Ų436.4 Ų36.42%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-113116.1-176.2-46.4179000108.7Y157 P210 E212 L213 Y226 I227 T228Y157-I168 PolarHBondContact N-O 3.17Å; Y157-I168 PolarHBondContact O-N 2.9Å; I168-P210 HydrophobicContact CG2-CG 4.48Å; I168-E212 HydrophobicContact CD1-CB 4.46Å; I168-L213 HydrophobicContact CD1-CD1 4.27Å; I168-L213 HydrophobicContact CD1-CD2 4.06Å; I168-L213 HydrophobicContact CD1-CG 3.99Å; I168-L213 HydrophobicContact CG2-CD1 4.07Å; I168-Y226 HydrophobicContact CG2-CD1 4.01Å; I168-I227 WeakPolarHBondContact CA-O 3.46Å; I168-T228 HydrophobicContact CD1-CG2 4.48Å; I168-T228 HydrophobicContact CG1-CG2 3.96Å
169F95.4Very high91.7Very high5 Ų536.9 Ų36.92%0.02220%0.196CC..EExtended strand (participates in β ladder)trans-91.2118169.5-66.1-97.5000108.7Y150 L156 V167 Y226 I227 I248 L251 R252Y150-F169 HydrophobicContact CE1-CD1 4.41Å; L156-F169 HydrophobicContact CD1-CD1 3.95Å; L156-F169 HydrophobicContact CD1-CD2 4.27Å; L156-F169 HydrophobicContact CD1-CE1 3.72Å; L156-F169 HydrophobicContact CD1-CE2 4.05Å; L156-F169 HydrophobicContact CD1-CG 4.21Å; L156-F169 HydrophobicContact CD1-CZ 3.76Å; L156-F169 HydrophobicContact CD2-CE1 4.48Å; V167-F169 HydrophobicContact CG1-CD2 4.22Å; V167-F169 HydrophobicContact CG1-CE2 3.57Å; V167-F169 HydrophobicContact CG1-CZ 4.11Å; F169-Y226 WeakPolarHBondContact O-CA 3.42Å; F169-I227 HydrophobicContact CB-CB 4.42Å; F169-I227 PolarHBondContact N-O 2.88Å; F169-I227 PolarHBondContact O-N 3.14Å; F169-I248 HydrophobicContact CE2-CD1 3.92Å; F169-I248 HydrophobicContact CE2-CG1 4Å; F169-I248 HydrophobicContact CZ-CD1 4.48Å; F169-I248 HydrophobicContact CZ-CG1 4.16Å; F169-I248 VanDerWaalsContact CZ-O 3.25Å; F169-I248 WeakPolarHBondContact CZ-O 3.48Å; F169-L251 HydrophobicContact CD2-CD2 3.82Å; F169-L251 HydrophobicContact CE2-CD2 3.69Å; F169-L251 HydrophobicContact CZ-CB 4.43Å; F169-L251 HydrophobicContact CZ-CD2 4.34Å; F169-R252 HydrophobicContact CD1-CB 4.37Å
170S94.4Very high91.8Very high2 Ų241.4 Ų41.41%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-84.1120.4156.1-1710000107.3Y150 E154 T155 V224 Y226Y150-S170 PolarHBondContact OH-O 3.44Å; Y150-S170 VanDerWaalsContact OH-O 3.1Å; E154-S170 WeakPolarHBondContact CB-O 3.25Å; T155-S170 PolarHBondContact N-O 3.07Å; T155-S170 WeakPolarHBondContact O-CB 3.22Å; T155-S170 PolarHBondContact O-N 3.37Å; S170-V224 WeakPolarHBondContact OG-CG1 3.18Å; S170-Y226 PolarHBondContact OG-OH 3.18Å
171T93.4Very high92.1Very high1 Ų143 Ų431%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-130.3144.4177.5-170.30000110.2E154 F173 A225 I227 H256E154-T171 WeakPolarHBondContact OE2-CB 3.24Å; E154-T171 PolarHBondContact OE2-OG1 2.92Å; T171-F173 HydrophobicContact CG2-CE2 3.91Å; T171-F173 HydrophobicContact CG2-CZ 4.03Å; T171-A225 HydrophobicContact CG2-CB 4.07Å; T171-A225 PolarHBondContact N-O 3.38Å; T171-A225 PolarHBondContact O-N 3.47Å; T171-I227 HydrophobicContact CG2-CD1 3.88Å; T171-H256 PolarHBondContact OG1-NE2 3.31Å
172V92Very high92.4Very high28 Ų2840.3 Ų40.317%0.1721%0.212CC..EExtended strand (participates in β ladder)trans-112.6127-175.4179.10000110D153 E154 V224D153-V172 HydrophobicContact CB-CG2 4.48Å; D153-V172 WeakPolarHBondContact O-CG2 3.19Å; E154-V172 HydrophobicContact CG-CB 4.41Å; E154-V172 HydrophobicContact CG-CG2 4.46Å; V172-V224 HydrophobicContact CG2-CG2 4.27Å
173F92.8Very high93Very high1 Ų142.6 Ų42.60%0.00421%0.212CC..  trans-95.8115.1175.9-67.1-74.5000110.1T171 E175 D178 L179 A182 N223 A225 L255 H256 I259T171-F173 HydrophobicContact CG2-CE2 3.91Å; T171-F173 HydrophobicContact CG2-CZ 4.03Å; F173-E175 VanDerWaalsContact C-N 3.34Å; F173-D178 HydrophobicContact CD1-CB 4.09Å; F173-L179 HydrophobicContact CB-CB 3.89Å; F173-L179 HydrophobicContact CB-CD1 4.47Å; F173-L179 HydrophobicContact CD2-CB 4.28Å; F173-L179 HydrophobicContact CD2-CD1 3.54Å; F173-L179 HydrophobicContact CE2-CD1 4.13Å; F173-L179 HydrophobicContact CG-CB 4.15Å; F173-L179 HydrophobicContact CG-CD1 4.25Å; F173-A182 HydrophobicContact CD1-CB 4.39Å; F173-A182 HydrophobicContact CE1-CB 3.65Å; F173-A182 HydrophobicContact CE2-CB 3.85Å; F173-A182 HydrophobicContact CZ-CB 3.33Å; F173-N223 PolarHBondContact N-O 2.91Å; F173-N223 WeakPolarHBondContact O-CB 3.39Å; F173-A225 HydrophobicContact CD2-CB 4.14Å; F173-A225 HydrophobicContact CE2-CB 3.61Å; F173-L255 HydrophobicContact CZ-CD2 4.16Å; F173-H256 AromaticContact CE1-CE1 3.96Å; F173-H256 AromaticContact CE1-NE2 3.8Å; F173-I259 HydrophobicContact CE1-CD1 3.65Å; F173-I259 HydrophobicContact CZ-CD1 4.32Å
174K90.9Very high93.3Very high162 Ų16242.4 Ų42.470%0.70421%0.214SC*.SBendtrans-73.7-27-178.6-61.4-168.1177-164.90113.4D153D153-K174 IonicContact OD2-NZ 2.73Å
175E92.6Very high93.4Very high99 Ų9940.6 Ų40.646%0.46321%0.208SC..SBendtrans-110133.2176.7-67170.6-144.200108.9F173 D177 D178 L179 K263F173-E175 VanDerWaalsContact C-N 3.34Å; E175-D177 PolarHBondContact O-N 3.48Å; E175-D178 HydrophobicContact CB-CB 4.19Å; E175-D178 PolarHBondContact O-N 2.7Å; E175-L179 PolarHBondContact O-N 3.12Å; E175-K263 IonicContact OE1-NZ 3.98Å; E175-K263 IonicContact OE2-NZ 3.4Å; E175-K263 PolarHBondContact OE2-NZ 3.32Å
176S91.3Very high93.4Very high73 Ų7340.6 Ų40.651%0.5121%0.208SC..Hα-helixtrans-57.1-35.3173.6490000112.2L179 I180S176-L179 WeakPolarHBondContact O-CB 3.24Å; S176-L179 PolarHBondContact O-N 3.02Å; S176-I180 WeakPolarHBondContact O-CG1 3.37Å; S176-I180 PolarHBondContact O-N 3.09Å; S176-I180 VanDerWaalsContact O-N 3.08Å
177D93.5Very high93.4Very high103 Ų10344.8 Ų44.855%0.55123%0.227SC*.Hα-helixtrans-70.1-37.3-177.3-61.56.2000110.8E175 L179 I180 I181E175-D177 PolarHBondContact O-N 3.48Å; D177-L179 VanDerWaalsContact C-N 3.31Å; D177-L179 PolarHBondContact O-N 3.24Å; D177-I180 PolarHBondContact O-N 3.39Å; D177-I181 VanDerWaalsContact O-CG1 3.32Å; D177-I181 WeakPolarHBondContact O-CG1 3.29Å; D177-I181 PolarHBondContact O-N 2.73Å
178D94.9Very high93.3Very high7 Ų746.4 Ų46.44%0.03723%0.234CC..Hα-helixtrans-64.2-36.5173.2-87.28.6000111.1F173 E175 I181 A182 I259 K260 K263F173-D178 HydrophobicContact CD1-CB 4.09Å; E175-D178 HydrophobicContact CB-CB 4.19Å; E175-D178 PolarHBondContact O-N 2.7Å; D178-I181 PolarHBondContact O-N 2.87Å; D178-A182 WeakPolarHBondContact O-CB 3.16Å; D178-A182 PolarHBondContact O-N 3.44Å; D178-I259 HydrophobicContact CB-CG2 3.95Å; D178-I259 VanDerWaalsContact CG-CG2 3.43Å; D178-I259 WeakPolarHBondContact OD1-CG2 3.08Å; D178-K260 IonicContact OD2-NZ 3.54Å; D178-K263 WeakPolarHBondContact OD1-CD 3.41Å; D178-K263 WeakPolarHBondContact OD1-CE 3.33Å; D178-K263 IonicContact OD1-NZ 2.88Å; D178-K263 PolarHBondContact OD1-NZ 3.47Å; D178-K263 IonicContact OD2-NZ 3.23Å
179L92Very high93.1Very high12 Ų1248.6 Ų48.66%0.06325%0.246CC..Hα-helixtrans-65.4-42.1174.8177.269.2000112.2F173 E175 S176 D177 A182 K183 E222F173-L179 HydrophobicContact CB-CB 3.89Å; F173-L179 HydrophobicContact CB-CD1 4.47Å; F173-L179 HydrophobicContact CD2-CB 4.28Å; F173-L179 HydrophobicContact CD2-CD1 3.54Å; F173-L179 HydrophobicContact CE2-CD1 4.13Å; F173-L179 HydrophobicContact CG-CB 4.15Å; F173-L179 HydrophobicContact CG-CD1 4.25Å; E175-L179 PolarHBondContact O-N 3.12Å; S176-L179 WeakPolarHBondContact O-CB 3.24Å; S176-L179 PolarHBondContact O-N 3.02Å; D177-L179 VanDerWaalsContact C-N 3.31Å; D177-L179 PolarHBondContact O-N 3.24Å; L179-A182 PolarHBondContact O-N 3.15Å; L179-K183 WeakPolarHBondContact O-CB 3.36Å; L179-K183 PolarHBondContact O-N 2.88Å; L179-E222 WeakPolarHBondContact CD2-O 3.38Å
180I92.9Very high93Very high109 Ų10950.5 Ų50.556%0.55926%0.258SS*.Hα-helixtrans-65.5-42.9176.5-63.6-59.7000111.1S176 D177 K183 V184S176-I180 WeakPolarHBondContact O-CG1 3.37Å; S176-I180 PolarHBondContact O-N 3.09Å; S176-I180 VanDerWaalsContact O-N 3.08Å; D177-I180 PolarHBondContact O-N 3.39Å; I180-K183 PolarHBondContact O-N 2.89Å; I180-V184 PolarHBondContact O-N 3.19Å
181I94.7Very high92.9Very high36 Ų3653 Ų5319%0.18527%0.269CS..Hα-helixtrans-65-45.4175.1-64.3167000110.2D177 D178 K183 V184 F185 I259 K263D177-I181 VanDerWaalsContact O-CG1 3.32Å; D177-I181 WeakPolarHBondContact O-CG1 3.29Å; D177-I181 PolarHBondContact O-N 2.73Å; D178-I181 PolarHBondContact O-N 2.87Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.45Å; I181-V184 PolarHBondContact O-N 3.35Å; I181-V184 VanDerWaalsContact O-N 3.13Å; I181-F185 HydrophobicContact CG2-CD2 3.88Å; I181-F185 HydrophobicContact CG2-CE2 3.82Å; I181-F185 WeakPolarHBondContact O-CD2 3.14Å; I181-F185 PolarHBondContact O-N 3Å; I181-I259 HydrophobicContact CB-CG2 4.21Å; I181-I259 HydrophobicContact CG2-CB 4.33Å; I181-I259 HydrophobicContact CG2-CG1 4.12Å; I181-I259 HydrophobicContact CG2-CG2 4.02Å; I181-K263 HydrophobicContact CD1-CD 4.08Å; I181-K263 HydrophobicContact CD1-CG 3.6Å
182A93.7Very high92.8Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-57-40.4177.200000112.2F173 D178 L179 V184 F185 L186 I259F173-A182 HydrophobicContact CD1-CB 4.39Å; F173-A182 HydrophobicContact CE1-CB 3.65Å; F173-A182 HydrophobicContact CE2-CB 3.85Å; F173-A182 HydrophobicContact CZ-CB 3.33Å; D178-A182 WeakPolarHBondContact O-CB 3.16Å; D178-A182 PolarHBondContact O-N 3.44Å; L179-A182 PolarHBondContact O-N 3.15Å; A182-V184 VanDerWaalsContact C-N 3.29Å; A182-V184 PolarHBondContact O-N 2.88Å; A182-F185 PolarHBondContact O-N 3.34Å; A182-L186 HydrophobicContact CB-CD1 4.44Å; A182-L186 WeakPolarHBondContact O-CB 3.15Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.42Å; A182-L186 PolarHBondContact O-N 3.01Å; A182-I259 HydrophobicContact CB-CD1 3.67Å; A182-I259 HydrophobicContact CB-CG1 4.47Å
183K93Very high92.7Very high98 Ų9858.1 Ų58.143%0.42629%0.289SS..Hα-helixtrans-58.4-38.8177.3-174168.3-173.7158.50112.7L179 I180 I181 Q187 Y204L179-K183 WeakPolarHBondContact O-CB 3.36Å; L179-K183 PolarHBondContact O-N 2.88Å; I180-K183 PolarHBondContact O-N 2.89Å; I181-K183 VanDerWaalsContact C-N 3.28Å; I181-K183 PolarHBondContact O-N 3.45Å; K183-Q187 WeakPolarHBondContact O-CB 3.04Å; K183-Q187 PolarHBondContact O-N 3.34Å; K183-Y204 HydrophobicContact CG-CE1 4.12Å
184V94Very high92.6Very high73 Ų7367 Ų6744%0.44232%0.322SS..Hα-helixtrans-67.1-47.5174.7-178.80000110.8I180 I181 A182 L186 Q187 E188I180-V184 PolarHBondContact O-N 3.19Å; I181-V184 PolarHBondContact O-N 3.35Å; I181-V184 VanDerWaalsContact O-N 3.13Å; A182-V184 VanDerWaalsContact C-N 3.29Å; A182-V184 PolarHBondContact O-N 2.88Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 PolarHBondContact O-N 3.47Å; V184-Q187 PolarHBondContact O-N 3.08Å; V184-E188 PolarHBondContact O-N 3.38Å; V184-E188 VanDerWaalsContact O-N 3.16Å
185F93.3Very high92.6Very high32 Ų3264.9 Ų64.914%0.1431%0.31CS..Hα-helixtrans-59-42.1176-87.7-83.9000112.9I181 A182 E188 L189 L255 H258 I259 S262 M410I181-F185 HydrophobicContact CG2-CD2 3.88Å; I181-F185 HydrophobicContact CG2-CE2 3.82Å; I181-F185 WeakPolarHBondContact O-CD2 3.14Å; I181-F185 PolarHBondContact O-N 3Å; A182-F185 PolarHBondContact O-N 3.34Å; F185-E188 PolarHBondContact O-N 2.89Å; F185-L189 WeakPolarHBondContact O-CG 3.38Å; F185-L189 PolarHBondContact O-N 3.3Å; F185-L255 HydrophobicContact CB-CD1 4.04Å; F185-H258 HydrophobicContact CE1-CB 3.98Å; F185-H258 HydrophobicContact CZ-CB 4.07Å; F185-I259 HydrophobicContact CD2-CG1 4.42Å; F185-S262 VanDerWaalsContact CE2-OG 3.29Å; F185-S262 WeakPolarHBondContact CE2-OG 3.35Å; F185-S262 VanDerWaalsContact CZ-OG 3.23Å; F185-S262 WeakPolarHBondContact CZ-OG 3.42Å; F185-M410 HydrophobicContact CD1-CE 4.16Å; F185-M410 HydrophobicContact CE1-CE 3.61Å; F185-M410 HydrophobicContact CZ-CE 4.29Å
186L92.7Very high92.6Very high1 Ų165.5 Ų65.51%0.00531%0.311CS..Hα-helixtrans-71.6-36.5-178.9-69.1168.3000111.4A182 V184 L189 T190 Y204 I227 L255A182-L186 HydrophobicContact CB-CD1 4.44Å; A182-L186 WeakPolarHBondContact O-CB 3.15Å; A182-L186 VanDerWaalsContact O-CG 3.24Å; A182-L186 WeakPolarHBondContact O-CG 3.42Å; A182-L186 PolarHBondContact O-N 3.01Å; V184-L186 VanDerWaalsContact C-N 3.33Å; V184-L186 PolarHBondContact O-N 3.47Å; L186-L189 HydrophobicContact CD2-CD1 4.22Å; L186-L189 PolarHBondContact O-N 3.21Å; L186-T190 WeakPolarHBondContact O-CG2 3.18Å; L186-T190 PolarHBondContact O-N 3.19Å; L186-Y204 HydrophobicContact CB-CD1 4.26Å; L186-Y204 HydrophobicContact CB-CD2 4.29Å; L186-Y204 HydrophobicContact CB-CG 4.03Å; L186-Y204 HydrophobicContact CD1-CD2 3.62Å; L186-Y204 HydrophobicContact CD1-CE2 3.61Å; L186-Y204 HydrophobicContact CD1-CG 4.24Å; L186-Y204 HydrophobicContact CG-CD2 4.47Å; L186-I227 HydrophobicContact CD1-CD1 4.16Å; L186-I227 HydrophobicContact CD1-CG1 4.11Å; L186-I227 HydrophobicContact CD2-CD1 3.75Å; L186-I227 HydrophobicContact CD2-CG1 3.82Å; L186-I227 HydrophobicContact CD2-CG2 3.96Å; L186-L255 HydrophobicContact CD2-CD2 4.24Å
187Q92.7Very high92.5Very high94 Ų9467.3 Ų67.344%0.43932%0.315SS..Hα-helixtrans-57.3-52.8171-175.364.931.800111K183 V184 L189 T190 E191K183-Q187 WeakPolarHBondContact O-CB 3.04Å; K183-Q187 PolarHBondContact O-N 3.34Å; V184-Q187 PolarHBondContact O-N 3.08Å; Q187-L189 VanDerWaalsContact C-N 3.28Å; Q187-L189 PolarHBondContact O-N 2.92Å; Q187-T190 PolarHBondContact O-N 2.92Å; Q187-T190 VanDerWaalsContact O-N 3.09Å; Q187-T190 PolarHBondContact O-OG1 3.36Å; Q187-E191 PolarHBondContact NE2-OE1 3.15Å; Q187-E191 PolarHBondContact O-N 3.15Å; Q187-E191 VanDerWaalsContact O-N 3.15Å
188E93.1Very high92.5Very high34 Ų3471 Ų7116%0.15932%0.321CS..Hα-helixtrans-59-38.4178.1-64.7-69.8151.100111.9V184 F185 E191 V192 M410V184-E188 PolarHBondContact O-N 3.38Å; V184-E188 VanDerWaalsContact O-N 3.16Å; F185-E188 PolarHBondContact O-N 2.89Å; E188-E191 PolarHBondContact O-N 3.42Å; E188-V192 PolarHBondContact O-N 3.26Å; E188-M410 HydrophobicContact CG-SD 4.4Å
189L92.1Very high92.4Very high51 Ų5171.6 Ų71.627%0.26733%0.328SS..Hα-helixtrans-65.4-37.4174.4-76.3169.5000113.4F185 L186 Q187 E191 V192 V202F185-L189 WeakPolarHBondContact O-CG 3.38Å; F185-L189 PolarHBondContact O-N 3.3Å; L186-L189 HydrophobicContact CD2-CD1 4.22Å; L186-L189 PolarHBondContact O-N 3.21Å; Q187-L189 VanDerWaalsContact C-N 3.28Å; Q187-L189 PolarHBondContact O-N 2.92Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 3.1Å; L189-V192 WeakPolarHBondContact O-CB 3.37Å; L189-V192 WeakPolarHBondContact O-CG1 3.35Å; L189-V192 PolarHBondContact O-N 3.27Å; L189-V202 HydrophobicContact CB-CG1 4.46Å
190T92.1Very high92.5Very high44 Ų4472.8 Ų72.827%0.2734%0.336SS..Hα-helixtrans-66.6-29.6173.564.30000112.4L186 Q187 V202L186-T190 WeakPolarHBondContact O-CG2 3.18Å; L186-T190 PolarHBondContact O-N 3.19Å; Q187-T190 PolarHBondContact O-N 2.92Å; Q187-T190 VanDerWaalsContact O-N 3.09Å; Q187-T190 PolarHBondContact O-OG1 3.36Å; T190-V202 HydrophobicContact CG2-CG1 4.46Å
191E93.4Very high92.6Very high54 Ų5470.2 Ų70.225%0.25232%0.322SS..Hα-helixtrans-86.5-5.5-179.3-62-164.5167.600114.1Q187 E188 L189 R193 R194Q187-E191 PolarHBondContact NE2-OE1 3.15Å; Q187-E191 PolarHBondContact O-N 3.15Å; Q187-E191 VanDerWaalsContact O-N 3.15Å; E188-E191 PolarHBondContact O-N 3.42Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 3.1Å; E191-R193 PolarHBondContact O-N 2.74Å; E191-R194 VanDerWaalsContact O-CB 3.3Å; E191-R194 WeakPolarHBondContact O-CB 3.47Å; E191-R194 WeakPolarHBondContact O-CG 3.42Å; E191-R194 PolarHBondContact O-N 3.26Å; E191-R194 IonicContact OE1-CZ 3.37Å; E191-R194 IonicContact OE1-NH1 3.31Å; E191-R194 PolarHBondContact OE1-NH1 3.26Å; E191-R194 IonicContact OE1-NH2 2.68Å; E191-R194 PolarHBondContact OE1-NH2 3.5Å; E191-R194 IonicContact OE2-CZ 3.67Å; E191-R194 VanDerWaalsContact OE2-CZ 3.25Å; E191-R194 IonicContact OE2-NH1 3.64Å; E191-R194 PolarHBondContact OE2-NH1 2.88Å; E191-R194 IonicContact OE2-NH2 3.69Å
192V91.3Very high92.6Very high30 Ų3068.9 Ų68.918%0.18232%0.315CS..G310 helixtrans-51.7-34.4-176.575.50000113.7E188 L189 R194 R195 F196 A199E188-V192 PolarHBondContact O-N 3.26Å; L189-V192 WeakPolarHBondContact O-CB 3.37Å; L189-V192 WeakPolarHBondContact O-CG1 3.35Å; L189-V192 PolarHBondContact O-N 3.27Å; V192-R194 PolarHBondContact O-N 2.97Å; V192-R195 PolarHBondContact O-N 3.5Å; V192-F196 HydrophobicContact CG2-CD2 4.03Å; V192-F196 PolarHBondContact O-N 2.9Å; V192-A199 HydrophobicContact CG1-CB 4.28Å
193R90.1Very high92.6Very high108 Ų10872.6 Ų72.641%0.40834%0.335SS..G310 helixtrans-68-11.8179.5-70.3-172.967.3-154.2-0.8114.2E191 R195 A199E191-R193 PolarHBondContact O-N 2.74Å; R193-R195 VanDerWaalsContact C-N 3.27Å; R193-A199 HydrophobicContact CG-CB 4.46Å
194R91.4Very high92.6Very high187 Ų18770.3 Ų70.371%0.70632%0.324SS*.G310 helixtrans-69.2-24.8167.9-63.7-175.2-175.4155.115.2112.5E191 V192E191-R194 VanDerWaalsContact O-CB 3.3Å; E191-R194 WeakPolarHBondContact O-CB 3.47Å; E191-R194 WeakPolarHBondContact O-CG 3.42Å; E191-R194 PolarHBondContact O-N 3.26Å; E191-R194 IonicContact OE1-CZ 3.37Å; E191-R194 IonicContact OE1-NH1 3.31Å; E191-R194 PolarHBondContact OE1-NH1 3.26Å; E191-R194 IonicContact OE1-NH2 2.68Å; E191-R194 PolarHBondContact OE1-NH2 3.5Å; E191-R194 IonicContact OE2-CZ 3.67Å; E191-R194 VanDerWaalsContact OE2-CZ 3.25Å; E191-R194 IonicContact OE2-NH1 3.64Å; E191-R194 PolarHBondContact OE2-NH1 2.88Å; E191-R194 IonicContact OE2-NH2 3.69Å; V192-R194 PolarHBondContact O-N 2.97Å
195R91Very high92.5Very high117 Ų11768.7 Ų68.744%0.44232%0.315SS..THydrogen-bonded Turntrans-106.2-36.4178-60.2-177.8-173163.55.3112.4V192 R193V192-R195 PolarHBondContact O-N 3.5Å; R193-R195 VanDerWaalsContact C-N 3.27Å
196F91.2Very high92.3Very high113 Ų11370 Ų7050%0.49632%0.322SS..  trans-125.589.9-176.7-60.3-71.6000111.2V192 R198 A199 I416V192-F196 HydrophobicContact CG2-CD2 4.03Å; V192-F196 PolarHBondContact O-N 2.9Å; F196-R198 PolarHBondContact O-N 2.83Å; F196-A199 HydrophobicContact CB-CB 4.11Å; F196-A199 WeakPolarHBondContact O-CB 3.49Å; F196-A199 PolarHBondContact O-N 3.06Å; F196-A199 VanDerWaalsContact O-N 3.11Å; F196-I416 HydrophobicContact CE2-CG2 4.39Å
197D90Very high92.1Very high110 Ų11071.5 Ų71.559%0.58833%0.332SS*.THydrogen-bonded Turntrans-53.2-37.2-179.170.4-52.1000113.4
198R92.8Very high92Very high180 Ų18071.4 Ų71.468%0.67934%0.338SS*.THydrogen-bonded Turntrans-81.8-4.4-177.4-56.9-170.7-177.8-172.3-1.3114.8F196 H235F196-R198 PolarHBondContact O-N 2.83Å; R198-H235 PolarHBondContact O-NE2 3.4Å
199A93Very high91.9Very high21 Ų2171 Ų7117%0.17434%0.338CS..SBendtrans-70.5156.6179.700000112.2V192 R193 F196V192-A199 HydrophobicContact CG1-CB 4.28Å; R193-A199 HydrophobicContact CG-CB 4.46Å; F196-A199 HydrophobicContact CB-CB 4.11Å; F196-A199 WeakPolarHBondContact O-CB 3.49Å; F196-A199 PolarHBondContact O-N 3.06Å; F196-A199 VanDerWaalsContact O-N 3.11Å
200P94.4Very high91.8Very high36 Ų3669.6 Ų69.623%0.23433%0.332CS..PPolyproline II helixtrans-50146163.9-26.635.3000111.9F229 L231P200-F229 HydrophobicContact CB-CD1 4.18Å; P200-L231 HydrophobicContact CB-CD2 4.11Å; P200-L231 HydrophobicContact CG-CD2 3.98Å
201Q94.4Very high91.6Very high56 Ų5671.8 Ų71.826%0.26235%0.35SS..EExtended strand (participates in β ladder)trans-81.7129.4169.6171.3173.84.500108.9L203 V230 F232Q201-L203 HydrophobicContact CG-CD2 4.44Å; Q201-V230 HydrophobicContact CB-CB 4.11Å; Q201-V230 PolarHBondContact N-O 3.27Å; Q201-V230 PolarHBondContact O-N 3.2Å; Q201-F232 HydrophobicContact CB-CE2 4.2Å; Q201-F232 HydrophobicContact CB-CZ 4.38Å
202V95.4Very high91.1Very high8 Ų873 Ų735%0.04836%0.355CS..EExtended strand (participates in β ladder)trans-107.4135.5174.9-173.20000108.4L189 T190 I227 T228 F229L189-V202 HydrophobicContact CB-CG1 4.46Å; T190-V202 HydrophobicContact CG2-CG1 4.46Å; V202-I227 HydrophobicContact CG1-CG2 4.22Å; V202-T228 CarbonylContact C-O 3.46Å; V202-T228 WeakPolarHBondContact CA-O 3.43Å; V202-F229 HydrophobicContact CB-CE2 4.49Å; V202-F229 HydrophobicContact CG1-CD2 4.26Å; V202-F229 HydrophobicContact CG1-CE2 3.8Å; V202-F229 HydrophobicContact CG1-CZ 4.2Å; V202-F229 HydrophobicContact CG2-CD1 4.03Å; V202-F229 HydrophobicContact CG2-CD2 4.33Å; V202-F229 HydrophobicContact CG2-CE1 3.6Å; V202-F229 HydrophobicContact CG2-CE2 3.89Å; V202-F229 HydrophobicContact CG2-CG 4.38Å; V202-F229 HydrophobicContact CG2-CZ 3.52Å
203L94.2Very high90.9Very high78 Ų7871.9 Ų71.941%0.40835%0.348SS..EExtended strand (participates in β ladder)trans-123.2149.3169.5-56170.1000108.5Q201 T228Q201-L203 HydrophobicContact CG-CD2 4.44Å; L203-T228 PolarHBondContact N-O 3.41Å; L203-T228 PolarHBondContact O-N 2.89Å
204Y91.9Very high90.6Very high50 Ų5073.1 Ų73.120%0.19636%0.361CS..EExtended strand (participates in β ladder)trans-131.4132.8179.9164.6-120.6000109.7K183 L186 Q206 A225 Y226K183-Y204 HydrophobicContact CG-CE1 4.12Å; L186-Y204 HydrophobicContact CB-CD1 4.26Å; L186-Y204 HydrophobicContact CB-CD2 4.29Å; L186-Y204 HydrophobicContact CB-CG 4.03Å; L186-Y204 HydrophobicContact CD1-CD2 3.62Å; L186-Y204 HydrophobicContact CD1-CE2 3.61Å; L186-Y204 HydrophobicContact CD1-CG 4.24Å; L186-Y204 HydrophobicContact CG-CD2 4.47Å; Y204-Q206 HydrophobicContact CE2-CB 4.45Å; Y204-A225 HydrophobicContact CE2-CB 3.93Å; Y204-Y226 WeakPolarHBondContact CA-O 3.45Å
205S91.4Very high90Very high38 Ų3868.2 Ų68.227%0.26637%0.369SS..EExtended strand (participates in β ladder)trans-128.3141.2169-174.20000109.8V208 Y226S205-V208 WeakPolarHBondContact CB-O 3.44Å; S205-V208 PolarHBondContact OG-O 3.45Å; S205-Y226 PolarHBondContact N-O 3.1Å; S205-Y226 PolarHBondContact O-N 3.11Å
206Q89.7Confident89.6Confident61 Ų6164.9 Ų64.929%0.28536%0.362SS..EExtended strand (participates in β ladder)trans-108.2138176.4-165.2-175.9-17.700109.2Y204 V208Y204-Q206 HydrophobicContact CE2-CB 4.45Å; Q206-V208 PolarHBondContact O-N 3.34Å
207S88.6Confident89.3Confident31 Ų3164.6 Ų64.622%0.21737%0.365CS..SBendtrans65.9-37176.2-42.20000117.1G221 V224S207-G221 WeakPolarHBondContact CA-O 3.39Å; S207-G221 PolarHBondContact O-N 3.47Å; S207-V224 PolarHBondContact N-O 2.92Å
208V89.9Confident89.1Confident93 Ų9359.9 Ų59.956%0.56434%0.342SS*.SBendtrans-109.5126.3-175.5-175.70000110S205 Q206S205-V208 WeakPolarHBondContact CB-O 3.44Å; S205-V208 PolarHBondContact OG-O 3.45Å; Q206-V208 PolarHBondContact O-N 3.34Å
209P90.8Very high88.8Confident25 Ų2553.6 Ų53.616%0.16233%0.328CS..  trans-64.6146.6175.924.9-33.1000111.9L213 A218 V220 Y226P209-L213 HydrophobicContact CB-CB 4.1Å; P209-L213 HydrophobicContact CB-CD1 4.36Å; P209-A218 HydrophobicContact CB-CB 3.88Å; P209-A218 HydrophobicContact CG-CB 4.19Å; P209-V220 HydrophobicContact CG-CG2 4.4Å; P209-Y226 HydrophobicContact CB-CD1 4.4Å; P209-Y226 HydrophobicContact CB-CD2 4.37Å; P209-Y226 HydrophobicContact CB-CE1 3.95Å; P209-Y226 HydrophobicContact CB-CE2 3.93Å
210P90.7Very high88.5Confident21 Ų2158 Ų5814%0.13635%0.353CS..  trans-55155.1170.5-26.335.4000112.8I168 E212 L213I168-P210 HydrophobicContact CG2-CG 4.48Å; P210-E212 WeakPolarHBondContact CB-OE2 3.42Å; P210-E212 PolarHBondContact O-N 3.23Å; P210-E212 VanDerWaalsContact O-N 3.12Å; P210-L213 PolarHBondContact O-N 3.25Å
211S87.9Confident88.2Confident91 Ų9157.5 Ų57.564%0.63635%0.354SS*.G310 helixtrans-62.5-24.1-17552.70000113.3L213 I214S211-L213 PolarHBondContact O-N 3.42Å; S211-I214 WeakPolarHBondContact O-CG1 3.46Å; S211-I214 PolarHBondContact O-N 3.24Å
212E84Confident87.9Confident80 Ų8062.3 Ų62.337%0.37438%0.377SS..G310 helixtrans-65-18.2174-55.393.315000113.5K145 I168 P210K145-E212 PolarHBondContact NZ-O 3.21Å; I168-E212 HydrophobicContact CD1-CB 4.46Å; P210-E212 WeakPolarHBondContact CB-OE2 3.42Å; P210-E212 PolarHBondContact O-N 3.23Å; P210-E212 VanDerWaalsContact O-N 3.12Å
213L86.5Confident87.7Confident6 Ų665.3 Ų65.33%0.03139%0.392CS..G310 helixtrans-101.6-0.3179.4-61.3-171.9000113.8Y157 I168 P209 P210 S211 G215 T216 A218 Y226Y157-L213 HydrophobicContact CD1-CD2 3.63Å; Y157-L213 HydrophobicContact CD2-CD1 3.7Å; Y157-L213 HydrophobicContact CD2-CD2 3.95Å; Y157-L213 HydrophobicContact CE1-CD2 4.22Å; Y157-L213 HydrophobicContact CE2-CD1 3.87Å; Y157-L213 HydrophobicContact CE2-CD2 4.48Å; Y157-L213 HydrophobicContact CG-CD1 4.15Å; Y157-L213 HydrophobicContact CG-CD2 3.5Å; Y157-L213 VanDerWaalsContact CG-CD2 3.5Å; I168-L213 HydrophobicContact CD1-CD1 4.27Å; I168-L213 HydrophobicContact CD1-CD2 4.06Å; I168-L213 HydrophobicContact CD1-CG 3.99Å; I168-L213 HydrophobicContact CG2-CD1 4.07Å; P209-L213 HydrophobicContact CB-CB 4.1Å; P209-L213 HydrophobicContact CB-CD1 4.36Å; P210-L213 PolarHBondContact O-N 3.25Å; S211-L213 PolarHBondContact O-N 3.42Å; L213-G215 PolarHBondContact O-N 3.28Å; L213-T216 WeakPolarHBondContact O-CB 3.4Å; L213-T216 PolarHBondContact O-N 3.14Å; L213-T216 PolarHBondContact O-OG1 3.4Å; L213-A218 HydrophobicContact CB-CB 4.14Å; L213-A218 HydrophobicContact CD1-CB 4.26Å; L213-Y226 HydrophobicContact CD1-CD1 3.78Å; L213-Y226 HydrophobicContact CD1-CE1 3.61Å
214I82.5Confident87.6Confident134 Ų13462.1 Ų62.169%0.68738%0.376SS*.THydrogen-bonded Turntrans-59.7127.8175.6-64.6169.6000109.4S211S211-I214 WeakPolarHBondContact O-CG1 3.46Å; S211-I214 PolarHBondContact O-N 3.24Å
215G79.2Confident87.6Confident83 Ų8359.8 Ų59.886%0.85637%0.367SS*.THydrogen-bonded Turntrans88.91.7-175.400000115.2L213L213-G215 PolarHBondContact O-N 3.28Å
216T84.1Confident87.8Confident48 Ų4858 Ų5829%0.29435%0.354SS..SBendtrans-93.5174.5165.166.70000111.1Y157 L213 A218Y157-T216 HydrophobicContact CE1-CG2 4.35Å; L213-T216 WeakPolarHBondContact O-CB 3.4Å; L213-T216 PolarHBondContact O-N 3.14Å; L213-T216 PolarHBondContact O-OG1 3.4Å; T216-A218 PolarHBondContact O-N 3.27Å; T216-A218 VanDerWaalsContact O-N 3.17Å; T216-A218 WeakPolarHBondContact OG1-CB 3.41Å
217D83.3Confident88Confident106 Ų10655.3 Ų55.357%0.56734%0.342SS*.  trans-73.514.6173.255.42.6000114.6H149 Y157 A219H149-D217 IonicContact CE1-OD2 3.6Å; H149-D217 IonicContact NE2-OD2 2.7Å; Y157-D217 PolarHBondContact OH-OD1 3.17Å; D217-A219 PolarHBondContact O-N 3.23Å; D217-A219 VanDerWaalsContact O-N 3.12Å
218A86.1Confident88.3Confident12 Ų1254 Ų5410%0.09933%0.333CS..  trans-54.1114.3-175.900000113Y157 P209 L213 T216 V220 Y226Y157-A218 WeakPolarHBondContact OH-CA 3.5Å; Y157-A218 PolarHBondContact OH-N 3Å; P209-A218 HydrophobicContact CB-CB 3.88Å; P209-A218 HydrophobicContact CG-CB 4.19Å; L213-A218 HydrophobicContact CB-CB 4.14Å; L213-A218 HydrophobicContact CD1-CB 4.26Å; T216-A218 PolarHBondContact O-N 3.27Å; T216-A218 VanDerWaalsContact O-N 3.17Å; T216-A218 WeakPolarHBondContact OG1-CB 3.41Å; A218-V220 PolarHBondContact O-N 3.27Å; A218-Y226 VanDerWaalsContact C-OH 3.28Å; A218-Y226 HydrophobicContact CB-CE1 4.29Å; A218-Y226 WeakPolarHBondContact CB-OH 3.42Å
219A86.2Confident88.6Confident48 Ų4850.7 Ų50.740%0.39731%0.311SS..  trans-59.7131.2-177.600000113.2D217 V224 Y226D217-A219 PolarHBondContact O-N 3.23Å; D217-A219 VanDerWaalsContact O-N 3.12Å; A219-V224 HydrophobicContact CB-CG2 4.42Å; A219-Y226 PolarHBondContact N-OH 3.1Å; A219-Y226 VanDerWaalsContact N-OH 3.07Å; A219-Y226 WeakPolarHBondContact O-CE2 3.16Å; A219-Y226 PolarHBondContact O-OH 3.19Å
220V88.1Confident88.8Confident113 Ų11349.8 Ų49.869%0.68531%0.305SS*.  trans-106.8127.3175.4179.20000108.8P209 A218P209-V220 HydrophobicContact CG-CG2 4.4Å; A218-V220 PolarHBondContact O-N 3.27Å
221G87.6Confident89Confident26 Ų2648.9 Ų48.927%0.26830%0.299SS..SBendtrans172.9153.4177.400000113.5S207 N223 V224S207-G221 WeakPolarHBondContact CA-O 3.39Å; S207-G221 PolarHBondContact O-N 3.47Å; G221-N223 PolarHBondContact O-N 3.45Å; G221-N223 VanDerWaalsContact O-N 3.13Å; G221-V224 WeakPolarHBondContact O-CB 3.18Å; G221-V224 PolarHBondContact O-N 3Å
222E88.4Confident89.2Confident157 Ų15746.4 Ų46.473%0.73428%0.277SS*.THydrogen-bonded Turntrans-59.5-29.6-171.8-59.9-175.6162.600114.3L179L179-E222 WeakPolarHBondContact CD2-O 3.38Å
223N90.4Very high89.6Confident71 Ų7145.8 Ų45.838%0.3828%0.28SS..THydrogen-bonded Turntrans-88.10.1178.8-70.1-17000114F173 G221F173-N223 PolarHBondContact N-O 2.91Å; F173-N223 WeakPolarHBondContact O-CB 3.39Å; G221-N223 PolarHBondContact O-N 3.45Å; G221-N223 VanDerWaalsContact O-N 3.13Å
224V91.9Very high89.8Confident11 Ų1152.4 Ų52.47%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-95.8132179.9-167.80000110S170 V172 S207 A219 G221 Y226S170-V224 WeakPolarHBondContact OG-CG1 3.18Å; V172-V224 HydrophobicContact CG2-CG2 4.27Å; S207-V224 PolarHBondContact N-O 2.92Å; A219-V224 HydrophobicContact CB-CG2 4.42Å; G221-V224 WeakPolarHBondContact O-CB 3.18Å; G221-V224 PolarHBondContact O-N 3Å; V224-Y226 HydrophobicContact CG1-CD2 4.34Å; V224-Y226 HydrophobicContact CG1-CE2 3.67Å
225A92.9Very high90.3Very high0 Ų047 Ų470%028%0.276CS..EExtended strand (participates in β ladder)trans-121.5133.2175.900000110.7T171 F173 Y204T171-A225 HydrophobicContact CG2-CB 4.07Å; T171-A225 PolarHBondContact N-O 3.38Å; T171-A225 PolarHBondContact O-N 3.47Å; F173-A225 HydrophobicContact CD2-CB 4.14Å; F173-A225 HydrophobicContact CE2-CB 3.61Å; Y204-A225 HydrophobicContact CE2-CB 3.93Å
226Y94.4Very high91Very high0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-104.8120.8173.7-71.8-88.5000109.6I168 F169 S170 Y204 S205 P209 L213 A218 A219 V224I168-Y226 HydrophobicContact CG2-CD1 4.01Å; F169-Y226 WeakPolarHBondContact O-CA 3.42Å; S170-Y226 PolarHBondContact OG-OH 3.18Å; Y204-Y226 WeakPolarHBondContact CA-O 3.45Å; S205-Y226 PolarHBondContact N-O 3.1Å; S205-Y226 PolarHBondContact O-N 3.11Å; P209-Y226 HydrophobicContact CB-CD1 4.4Å; P209-Y226 HydrophobicContact CB-CD2 4.37Å; P209-Y226 HydrophobicContact CB-CE1 3.95Å; P209-Y226 HydrophobicContact CB-CE2 3.93Å; L213-Y226 HydrophobicContact CD1-CD1 3.78Å; L213-Y226 HydrophobicContact CD1-CE1 3.61Å; A218-Y226 VanDerWaalsContact C-OH 3.28Å; A218-Y226 HydrophobicContact CB-CE1 4.29Å; A218-Y226 WeakPolarHBondContact CB-OH 3.42Å; A219-Y226 PolarHBondContact N-OH 3.1Å; A219-Y226 VanDerWaalsContact N-OH 3.07Å; A219-Y226 WeakPolarHBondContact O-CE2 3.16Å; A219-Y226 PolarHBondContact O-OH 3.19Å; V224-Y226 HydrophobicContact CG1-CD2 4.34Å; V224-Y226 HydrophobicContact CG1-CE2 3.67Å
227I94.8Very high91.3Very high5 Ų544.1 Ų44.13%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-118.4105.7-178.1-50.4164.9000107.9I168 F169 T171 L186 V202 F229 L255I168-I227 WeakPolarHBondContact CA-O 3.46Å; F169-I227 HydrophobicContact CB-CB 4.42Å; F169-I227 PolarHBondContact N-O 2.88Å; F169-I227 PolarHBondContact O-N 3.14Å; T171-I227 HydrophobicContact CG2-CD1 3.88Å; L186-I227 HydrophobicContact CD1-CD1 4.16Å; L186-I227 HydrophobicContact CD1-CG1 4.11Å; L186-I227 HydrophobicContact CD2-CD1 3.75Å; L186-I227 HydrophobicContact CD2-CG1 3.82Å; L186-I227 HydrophobicContact CD2-CG2 3.96Å; V202-I227 HydrophobicContact CG1-CG2 4.22Å; I227-F229 HydrophobicContact CG2-CD2 4.03Å; I227-F229 HydrophobicContact CG2-CE2 3.71Å; I227-L255 HydrophobicContact CD1-CD2 3.59Å
228T95.5Very high91.6Very high4 Ų444.3 Ų44.33%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-100116.3-177.3-60.20000110.4I168 V202 L203 V230I168-T228 HydrophobicContact CD1-CG2 4.48Å; I168-T228 HydrophobicContact CG1-CG2 3.96Å; V202-T228 CarbonylContact C-O 3.46Å; V202-T228 WeakPolarHBondContact CA-O 3.43Å; L203-T228 PolarHBondContact N-O 3.41Å; L203-T228 PolarHBondContact O-N 2.89Å; T228-V230 HydrophobicContact CG2-CG2 4.28Å
229F95.7Very high91.9Very high24 Ų2451.4 Ų51.411%0.10528%0.279CS..EExtended strand (participates in β ladder)trans-96.1127.2168.7-86.2-110.6000110.2T166 V167 P200 V202 I227 I248 L251T166-F229 WeakPolarHBondContact CA-O 3.28Å; V167-F229 HydrophobicContact CB-CB 4.4Å; V167-F229 PolarHBondContact N-O 3.13Å; V167-F229 PolarHBondContact O-N 2.83Å; P200-F229 HydrophobicContact CB-CD1 4.18Å; V202-F229 HydrophobicContact CB-CE2 4.49Å; V202-F229 HydrophobicContact CG1-CD2 4.26Å; V202-F229 HydrophobicContact CG1-CE2 3.8Å; V202-F229 HydrophobicContact CG1-CZ 4.2Å; V202-F229 HydrophobicContact CG2-CD1 4.03Å; V202-F229 HydrophobicContact CG2-CD2 4.33Å; V202-F229 HydrophobicContact CG2-CE1 3.6Å; V202-F229 HydrophobicContact CG2-CE2 3.89Å; V202-F229 HydrophobicContact CG2-CG 4.38Å; V202-F229 HydrophobicContact CG2-CZ 3.52Å; I227-F229 HydrophobicContact CG2-CD2 4.03Å; I227-F229 HydrophobicContact CG2-CE2 3.71Å; F229-I248 HydrophobicContact CB-CD1 3.88Å; F229-I248 HydrophobicContact CD1-CD1 3.78Å; F229-I248 HydrophobicContact CD2-CD1 4.29Å; F229-I248 HydrophobicContact CE1-CD1 4.42Å; F229-I248 HydrophobicContact CG-CD1 3.7Å; F229-L251 HydrophobicContact CD2-CD2 3.67Å; F229-L251 HydrophobicContact CE2-CD1 4.14Å; F229-L251 HydrophobicContact CE2-CD2 3.25Å; F229-L251 HydrophobicContact CE2-CG 4.33Å; F229-L251 HydrophobicContact CG-CD2 4.48Å; F229-L251 HydrophobicContact CZ-CD1 3.85Å; F229-L251 HydrophobicContact CZ-CD2 3.72Å; F229-L251 HydrophobicContact CZ-CG 4.46Å
230V94.6Very high92.2Very high5 Ų550.4 Ų50.43%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-105110.4175.1-179.80000109.3R164 T166 Q201 T228 F232R164-V230 HydrophobicContact CB-CG1 3.94Å; R164-V230 HydrophobicContact CG-CG1 4.2Å; T166-V230 HydrophobicContact CG2-CG2 4.32Å; Q201-V230 HydrophobicContact CB-CB 4.11Å; Q201-V230 PolarHBondContact N-O 3.27Å; Q201-V230 PolarHBondContact O-N 3.2Å; T228-V230 HydrophobicContact CG2-CG2 4.28Å; V230-F232 HydrophobicContact CG1-CD1 4.48Å; V230-F232 HydrophobicContact CG1-CE1 3.91Å; V230-F232 HydrophobicContact CG1-CE2 4.42Å; V230-F232 HydrophobicContact CG1-CZ 3.87Å
231L95.1Very high92.4Very high3 Ų345.8 Ų45.82%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-97.1107.6179.6-55.9178.4000110F130 R164 V165 V167 P200 H235 L236 T244F130-L231 HydrophobicContact CE1-CD1 3.97Å; F130-L231 HydrophobicContact CZ-CD1 3.89Å; R164-L231 WeakPolarHBondContact CA-O 3.48Å; V165-L231 HydrophobicContact CB-CB 4.42Å; V165-L231 PolarHBondContact N-O 3.11Å; V165-L231 WeakPolarHBondContact O-CB 3.38Å; V165-L231 PolarHBondContact O-N 3.13Å; V167-L231 HydrophobicContact CG2-CD1 4.01Å; P200-L231 HydrophobicContact CB-CD2 4.11Å; P200-L231 HydrophobicContact CG-CD2 3.98Å; L231-H235 HydrophobicContact CB-CB 4.47Å; L231-H235 HydrophobicContact CD2-CB 4.45Å; L231-L236 HydrophobicContact CB-CD2 3.84Å; L231-L236 HydrophobicContact CB-CG 4.45Å; L231-L236 HydrophobicContact CD1-CD2 4.07Å; L231-T244 HydrophobicContact CD1-CG2 3.89Å; L231-T244 HydrophobicContact CD2-CG2 4.09Å
232F93Very high92.7Very high39 Ų3947.4 Ų47.417%0.17125%0.249CC..  trans-74.1160.2170.6-58.9-65.5000112.2R164 Q201 V230 R234 H235R164-F232 HydrophobicContact CB-CD1 4.44Å; Q201-F232 HydrophobicContact CB-CE2 4.2Å; Q201-F232 HydrophobicContact CB-CZ 4.38Å; V230-F232 HydrophobicContact CG1-CD1 4.48Å; V230-F232 HydrophobicContact CG1-CE1 3.91Å; V230-F232 HydrophobicContact CG1-CE2 4.42Å; V230-F232 HydrophobicContact CG1-CZ 3.87Å; F232-R234 HydrophobicContact CB-CG 4.25Å; F232-R234 PolarHBondContact O-N 3.19Å; F232-H235 PolarHBondContact N-ND1 2.98Å; F232-H235 WeakPolarHBondContact O-CB 3.32Å; F232-H235 PolarHBondContact O-N 3Å
233P91.3Very high93Very high67 Ų6748.9 Ų48.944%0.43525%0.248SC..Hα-helixtrans-51.8-31.1-175-28.732.8000114.8D163 H235 L236 T237D163-P233 WeakPolarHBondContact O-CD 3.42Å; P233-H235 PolarHBondContact O-N 3.3Å; P233-L236 PolarHBondContact O-N 3.19Å; P233-T237 PolarHBondContact O-N 2.86Å
234R91.6Very high93.2Very high144 Ų14446.5 Ų46.554%0.54324%0.236SC..Hα-helixtrans-59.1-23.7174.868.7-178.963.3-164.2-2.9114.9F232F232-R234 HydrophobicContact CB-CG 4.25Å; F232-R234 PolarHBondContact O-N 3.19Å
235H93.1Very high93.4Very high21 Ų2146 Ų4610%0.09723%0.233CC..Hα-helixtrans-90.7-14.8176.2-50.5133000112.6R198 L231 F232 P233 T244R198-H235 PolarHBondContact O-NE2 3.4Å; L231-H235 HydrophobicContact CB-CB 4.47Å; L231-H235 HydrophobicContact CD2-CB 4.45Å; F232-H235 PolarHBondContact N-ND1 2.98Å; F232-H235 WeakPolarHBondContact O-CB 3.32Å; F232-H235 PolarHBondContact O-N 3Å; P233-H235 PolarHBondContact O-N 3.3Å; H235-T244 HydrophobicContact CB-CG2 4.42Å; H235-T244 PolarHBondContact O-OG1 3.1Å
236L92.2Very high93.5Very high20 Ų2047.9 Ų47.911%0.10524%0.243CC..Hα-helixtrans-104-0.5-172-50.6-177.3000111.9F130 H133 V165 L231 P233F130-L236 HydrophobicContact CD1-CD2 3.57Å; F130-L236 HydrophobicContact CD2-CD2 3.96Å; F130-L236 HydrophobicContact CE1-CD2 3.5Å; F130-L236 HydrophobicContact CE2-CD2 3.89Å; F130-L236 HydrophobicContact CG-CD2 3.82Å; F130-L236 HydrophobicContact CZ-CD2 3.67Å; H133-L236 VanDerWaalsContact CD2-CD1 3.42Å; H133-L236 WeakPolarHBondContact CD2-CD1 3.33Å; V165-L236 HydrophobicContact CB-CD1 4.04Å; V165-L236 HydrophobicContact CG2-CD1 3.56Å; L231-L236 HydrophobicContact CB-CD2 3.84Å; L231-L236 HydrophobicContact CB-CG 4.45Å; L231-L236 HydrophobicContact CD1-CD2 4.07Å; P233-L236 PolarHBondContact O-N 3.19Å
237T90.9Very high93.5Very high50 Ų5051.9 Ų51.931%0.30726%0.264SS..SBendtrans-58.8149.3175.6640000110.7P233 Q239 A240 S241P233-T237 PolarHBondContact O-N 2.86Å; T237-Q239 PolarHBondContact O-N 2.95Å; T237-A240 PolarHBondContact O-N 3.19Å; T237-A240 VanDerWaalsContact OG1-CB 3.26Å; T237-A240 WeakPolarHBondContact OG1-CB 3.44Å; T237-A240 PolarHBondContact OG1-N 2.92Å; T237-S241 WeakPolarHBondContact O-CB 3.37Å; T237-S241 PolarHBondContact O-N 3.48Å
238P89.8Confident93.5Very high111 Ų11152 Ų5272%0.72127%0.265SS*.THydrogen-bonded Turntrans-54.6-29.9-179.4-28.736.3000114.1P242P238-P242 WeakPolarHBondContact O-CD 3.48Å
239Q92.4Very high93.4Very high161 Ų16152.7 Ų52.775%0.75227%0.268SS*.THydrogen-bonded Turntrans-79.1-32.9177.1-54.181.66.200113.2T237T237-Q239 PolarHBondContact O-N 2.95Å
240A93.3Very high93.3Very high27 Ų2752.3 Ų52.322%0.22327%0.267CS..THydrogen-bonded Turntrans-89.2-31.7-178.800000113T237 R243 T244T237-A240 PolarHBondContact O-N 3.19Å; T237-A240 VanDerWaalsContact OG1-CB 3.26Å; T237-A240 WeakPolarHBondContact OG1-CB 3.44Å; T237-A240 PolarHBondContact OG1-N 2.92Å; A240-R243 WeakPolarHBondContact O-CB 3.5Å; A240-R243 PolarHBondContact O-N 3.3Å; A240-T244 PolarHBondContact O-N 3.39Å; A240-T244 PolarHBondContact O-OG1 2.63Å
241S92.2Very high93.2Very high15 Ų1553.2 Ų53.211%0.10527%0.271CS..Hα-helixtrans-47.7-50.6-174.9164.10000113.5F130 T237 R243 T244 I245F130-S241 WeakPolarHBondContact CD2-OG 3.28Å; T237-S241 WeakPolarHBondContact O-CB 3.37Å; T237-S241 PolarHBondContact O-N 3.48Å; S241-R243 VanDerWaalsContact C-N 3.28Å; S241-R243 PolarHBondContact O-N 3.49Å; S241-T244 WeakPolarHBondContact O-CB 3.39Å; S241-T244 PolarHBondContact O-N 3.41Å; S241-T244 VanDerWaalsContact O-N 3.12Å; S241-I245 VanDerWaalsContact O-CG1 3.31Å; S241-I245 WeakPolarHBondContact O-CG1 3.17Å; S241-I245 PolarHBondContact O-N 2.66Å
242P93.6Very high93.2Very high61 Ų6154.5 Ų54.540%0.39628%0.276SS..Hα-helixtrans-59.4-37.3179.8-25.235.1000113.5R119 P238 N246R119-P242 PolarHBondContact NH2-O 3.47Å; P238-P242 WeakPolarHBondContact O-CD 3.48Å; P242-N246 WeakPolarHBondContact O-CB 3.45Å; P242-N246 PolarHBondContact O-N 2.84Å; P242-N246 PolarHBondContact O-OD1 2.85Å; P242-N246 VanDerWaalsContact O-OD1 3.08Å
243R94.5Very high93.2Very high188 Ų18852.9 Ų52.971%0.70927%0.269SS*.Hα-helixtrans-72.5-40.7176.4-177.6-179.7177.3178.80.2111.7A240 S241 N246 L247A240-R243 WeakPolarHBondContact O-CB 3.5Å; A240-R243 PolarHBondContact O-N 3.3Å; S241-R243 VanDerWaalsContact C-N 3.28Å; S241-R243 PolarHBondContact O-N 3.49Å; R243-N246 PolarHBondContact O-N 2.77Å; R243-L247 HydrophobicContact CG-CD1 4.3Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 3.23Å; R243-L247 VanDerWaalsContact O-N 3.08Å
244T95.3Very high93.4Very high21 Ų2151.8 Ų51.813%0.12926%0.256CS..Hα-helixtrans-59.8-47.5174.3-60.60000110.8F130 L231 H235 A240 S241 N246 L247 I248F130-T244 HydrophobicContact CE2-CG2 4.43Å; F130-T244 HydrophobicContact CZ-CG2 4.24Å; L231-T244 HydrophobicContact CD1-CG2 3.89Å; L231-T244 HydrophobicContact CD2-CG2 4.09Å; H235-T244 HydrophobicContact CB-CG2 4.42Å; H235-T244 PolarHBondContact O-OG1 3.1Å; A240-T244 PolarHBondContact O-N 3.39Å; A240-T244 PolarHBondContact O-OG1 2.63Å; S241-T244 WeakPolarHBondContact O-CB 3.39Å; S241-T244 PolarHBondContact O-N 3.41Å; S241-T244 VanDerWaalsContact O-N 3.12Å; T244-N246 PolarHBondContact O-N 3.3Å; T244-L247 PolarHBondContact O-N 3.02Å; T244-I248 WeakPolarHBondContact O-CB 3.43Å; T244-I248 WeakPolarHBondContact O-CG2 3.3Å; T244-I248 PolarHBondContact O-N 2.89Å
245I95.5Very high93.5Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-58.2-47.1175.4-67.6171.1000110.7A123 F126 E127 F130 S241 L247 I248 H249A123-I245 HydrophobicContact CB-CG2 4.01Å; F126-I245 HydrophobicContact CB-CD1 3.98Å; F126-I245 HydrophobicContact CB-CG1 3.73Å; F126-I245 HydrophobicContact CD2-CG2 4.23Å; F126-I245 HydrophobicContact CG-CG1 4.3Å; E127-I245 HydrophobicContact CG-CD1 3.73Å; F130-I245 HydrophobicContact CE2-CD1 4.19Å; F130-I245 HydrophobicContact CE2-CG1 3.82Å; F130-I245 HydrophobicContact CZ-CG1 4.4Å; S241-I245 VanDerWaalsContact O-CG1 3.31Å; S241-I245 WeakPolarHBondContact O-CG1 3.17Å; S241-I245 PolarHBondContact O-N 2.66Å; I245-L247 VanDerWaalsContact C-N 3.28Å; I245-L247 PolarHBondContact O-N 3.04Å; I245-I248 PolarHBondContact O-N 2.97Å; I245-H249 PolarHBondContact O-N 3.31Å; I245-H249 VanDerWaalsContact O-N 3.14Å; I245-H249 PolarHBondContact O-ND1 3.07Å
246N94.8Very high93.5Very high40 Ų4045.2 Ų45.221%0.21423%0.232CC..Hα-helixtrans-59-36.2179.2-74.83.6000113.3I6 R119 P242 R243 T244 H249 I250I6-N246 HydrophobicContact CD1-CB 3.74Å; I6-N246 HydrophobicContact CG1-CB 4.48Å; R119-N246 PolarHBondContact NE-OD1 3.31Å; R119-N246 PolarHBondContact NH2-OD1 2.86Å; P242-N246 WeakPolarHBondContact O-CB 3.45Å; P242-N246 PolarHBondContact O-N 2.84Å; P242-N246 PolarHBondContact O-OD1 2.85Å; P242-N246 VanDerWaalsContact O-OD1 3.08Å; R243-N246 PolarHBondContact O-N 2.77Å; T244-N246 PolarHBondContact O-N 3.3Å; N246-H249 PolarHBondContact O-CE1 3.31Å; N246-H249 PolarHBondContact O-ND1 2.68Å; N246-H249 VanDerWaalsContact O-ND1 3.07Å; N246-I250 WeakPolarHBondContact O-CG2 3.4Å
247L94.5Very high93.7Very high84 Ų8447.7 Ų47.744%0.4424%0.241SC..Hα-helixtrans-83.8-38.1179-66.8172.5000112.9F3 R243 T244 I245 L251F3-L247 HydrophobicContact CD1-CD2 4.37Å; F3-L247 HydrophobicContact CE1-CD2 4.43Å; R243-L247 HydrophobicContact CG-CD1 4.3Å; R243-L247 WeakPolarHBondContact O-CG 3.43Å; R243-L247 PolarHBondContact O-N 3.23Å; R243-L247 VanDerWaalsContact O-N 3.08Å; T244-L247 PolarHBondContact O-N 3.02Å; I245-L247 VanDerWaalsContact C-N 3.28Å; I245-L247 PolarHBondContact O-N 3.04Å; L247-L251 PolarHBondContact O-N 3.29Å
248I94.5Very high93.9Very high8 Ų845.6 Ų45.64%0.04123%0.227CC..Hα-helixtrans-74.5-41.5-174.1-159.965.7000112.1F126 V167 F169 F229 T244 I245 I250 L251F126-I248 HydrophobicContact CD1-CG2 4.1Å; F126-I248 HydrophobicContact CD2-CG2 4.45Å; F126-I248 HydrophobicContact CE1-CG1 4.48Å; F126-I248 HydrophobicContact CE1-CG2 3.71Å; F126-I248 HydrophobicContact CE2-CG2 4.1Å; F126-I248 HydrophobicContact CG-CG2 4.47Å; F126-I248 HydrophobicContact CZ-CG2 3.71Å; V167-I248 HydrophobicContact CB-CG1 4.45Å; V167-I248 HydrophobicContact CG1-CD1 4.48Å; V167-I248 HydrophobicContact CG1-CG1 4.02Å; F169-I248 HydrophobicContact CE2-CD1 3.92Å; F169-I248 HydrophobicContact CE2-CG1 4Å; F169-I248 HydrophobicContact CZ-CD1 4.48Å; F169-I248 HydrophobicContact CZ-CG1 4.16Å; F169-I248 VanDerWaalsContact CZ-O 3.25Å; F169-I248 WeakPolarHBondContact CZ-O 3.48Å; F229-I248 HydrophobicContact CB-CD1 3.88Å; F229-I248 HydrophobicContact CD1-CD1 3.78Å; F229-I248 HydrophobicContact CD2-CD1 4.29Å; F229-I248 HydrophobicContact CE1-CD1 4.42Å; F229-I248 HydrophobicContact CG-CD1 3.7Å; T244-I248 WeakPolarHBondContact O-CB 3.43Å; T244-I248 WeakPolarHBondContact O-CG2 3.3Å; T244-I248 PolarHBondContact O-N 2.89Å; I245-I248 PolarHBondContact O-N 2.97Å; I248-I250 VanDerWaalsContact C-N 3.26Å; I248-I250 PolarHBondContact O-N 2.6Å; I248-L251 HydrophobicContact CD1-CD2 4.2Å; I248-L251 VanDerWaalsContact O-CB 3.22Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 3.1Å
249H93.1Very high94.1Very high17 Ų1740.3 Ų40.38%0.07919%0.193CC..THydrogen-bonded Turntrans-67.5-26.1-17884.3-70.7000113.1F122 F126 I245 N246F122-H249 HydrophobicContact CB-CB 4.34Å; F126-H249 HydrophobicContact CE2-CB 4.09Å; I245-H249 PolarHBondContact O-N 3.31Å; I245-H249 VanDerWaalsContact O-N 3.14Å; I245-H249 PolarHBondContact O-ND1 3.07Å; N246-H249 PolarHBondContact O-CE1 3.31Å; N246-H249 PolarHBondContact O-ND1 2.68Å; N246-H249 VanDerWaalsContact O-ND1 3.07Å
250I94.1Very high94.2Very high17 Ų1737.5 Ų37.59%0.08718%0.178CC..THydrogen-bonded Turntrans-92.6-6.5-179.5-156.2158000113.1L4 E5 I6 N246 I248 R252 N253 Y254L4-I250 HydrophobicContact CB-CD1 3.56Å; L4-I250 HydrophobicContact CB-CG1 4.1Å; L4-I250 HydrophobicContact CD1-CD1 4.41Å; L4-I250 HydrophobicContact CD1-CG1 4.15Å; E5-I250 WeakPolarHBondContact O-CD1 3.4Å; I6-I250 HydrophobicContact CG1-CD1 4.46Å; N246-I250 WeakPolarHBondContact O-CG2 3.4Å; I248-I250 VanDerWaalsContact C-N 3.26Å; I248-I250 PolarHBondContact O-N 2.6Å; I250-R252 PolarHBondContact O-N 2.99Å; I250-N253 HydrophobicContact CG1-CB 4.5Å; I250-N253 PolarHBondContact O-N 3.3Å; I250-Y254 PolarHBondContact O-N 3.03Å
251L93.2Very high94.4Very high23 Ų2338.5 Ų38.512%0.1218%0.183CC..Hα-helixtrans-51.6-48-173.3175.968.9000113.5F169 F229 L247 I248 N253 Y254 L255F169-L251 HydrophobicContact CD2-CD2 3.82Å; F169-L251 HydrophobicContact CE2-CD2 3.69Å; F169-L251 HydrophobicContact CZ-CB 4.43Å; F169-L251 HydrophobicContact CZ-CD2 4.34Å; F229-L251 HydrophobicContact CD2-CD2 3.67Å; F229-L251 HydrophobicContact CE2-CD1 4.14Å; F229-L251 HydrophobicContact CE2-CD2 3.25Å; F229-L251 HydrophobicContact CE2-CG 4.33Å; F229-L251 HydrophobicContact CG-CD2 4.48Å; F229-L251 HydrophobicContact CZ-CD1 3.85Å; F229-L251 HydrophobicContact CZ-CD2 3.72Å; F229-L251 HydrophobicContact CZ-CG 4.46Å; L247-L251 PolarHBondContact O-N 3.29Å; I248-L251 HydrophobicContact CD1-CD2 4.2Å; I248-L251 VanDerWaalsContact O-CB 3.22Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 3.1Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.29Å; L251-Y254 WeakPolarHBondContact O-CB 3.41Å; L251-Y254 PolarHBondContact O-N 3.48Å; L251-L255 PolarHBondContact O-N 3.15Å
252R93.7Very high94.6Very high30 Ų3039.2 Ų39.211%0.11319%0.188CC..Hα-helixtrans-60.9-42-179.3177.7-92.2-178.8-147.7-9.4111.3Y150 E154 F169 I250 L255 H256Y150-R252 HydrophobicContact CE2-CB 4.26Å; Y150-R252 HydrophobicContact CE2-CG 3.85Å; E154-R252 IonicContact OE1-CZ 3.09Å; E154-R252 IonicContact OE1-NE 2.8Å; E154-R252 PolarHBondContact OE1-NE 3.47Å; E154-R252 IonicContact OE1-NH2 3.95Å; E154-R252 PolarHBondContact OE1-NH2 2.75Å; E154-R252 IonicContact OE2-CZ 2.69Å; E154-R252 IonicContact OE2-NE 2.75Å; E154-R252 PolarHBondContact OE2-NE 3.35Å; E154-R252 IonicContact OE2-NH2 2.69Å; F169-R252 HydrophobicContact CD1-CB 4.37Å; I250-R252 PolarHBondContact O-N 2.99Å; R252-L255 PolarHBondContact O-N 3.36Å; R252-H256 PolarHBondContact O-CD2 3.1Å; R252-H256 VanDerWaalsContact O-CD2 3.31Å; R252-H256 PolarHBondContact O-N 2.78Å
253N94.2Very high94.6Very high6 Ų638.5 Ų38.53%0.03218%0.179CC..Hα-helixtrans-72.5-36.8178.6-63.8-47000111.7L4 F38 D39 I250 L251 H256 Y257L4-N253 HydrophobicContact CD1-CB 3.88Å; F38-N253 HydrophobicContact CB-CB 4.5Å; F38-N253 VanDerWaalsContact CB-ND2 3.34Å; F38-N253 WeakPolarHBondContact CB-ND2 3.24Å; F38-N253 HydrophobicContact CD1-CB 4.32Å; F38-N253 HydrophobicContact CG-CB 4.21Å; D39-N253 PolarHBondContact OD1-ND2 2.82Å; D39-N253 VanDerWaalsContact OD1-ND2 3.15Å; D39-N253 PolarHBondContact OD1-OD1 3.41Å; D39-N253 PolarHBondContact OD2-ND2 3.24Å; I250-N253 HydrophobicContact CG1-CB 4.5Å; I250-N253 PolarHBondContact O-N 3.3Å; L251-N253 VanDerWaalsContact C-N 3.31Å; L251-N253 PolarHBondContact O-N 3.29Å; N253-H256 PolarHBondContact O-N 3.16Å; N253-Y257 WeakPolarHBondContact O-CB 3.43Å; N253-Y257 PolarHBondContact O-N 3.29Å
254Y94.6Very high94.7Very high44 Ų4431.5 Ų31.517%0.17317%0.165CC..Hα-helixtrans-58.1-48.7171.1176.8-87.3000111.8I2 F3 I250 L251 Y257 H258I2-Y254 VanDerWaalsContact O-CE2 3.28Å; I2-Y254 WeakPolarHBondContact O-CE2 3.15Å; F3-Y254 HydrophobicContact CD1-CD2 4.28Å; F3-Y254 AromaticContact CD1-CE2 3.82Å; F3-Y254 HydrophobicContact CD1-CE2 3.82Å; F3-Y254 HydrophobicContact CE1-CE2 4.04Å; I250-Y254 PolarHBondContact O-N 3.03Å; L251-Y254 WeakPolarHBondContact O-CB 3.41Å; L251-Y254 PolarHBondContact O-N 3.48Å; Y254-Y257 PolarHBondContact O-N 3.23Å; Y254-H258 AromaticContact CD1-CD2 3.81Å; Y254-H258 AromaticContact CD2-CD2 3.72Å; Y254-H258 AromaticContact CD2-NE2 3.73Å; Y254-H258 AromaticContact CE1-CD2 3.53Å; Y254-H258 AromaticContact CE2-CD2 3.47Å; Y254-H258 VanDerWaalsContact CE2-CD2 3.47Å; Y254-H258 WeakPolarHBondContact CE2-CD2 3.26Å; Y254-H258 AromaticContact CE2-NE2 3.2Å; Y254-H258 WeakPolarHBondContact CE2-NE2 3.36Å; Y254-H258 AromaticContact CG-CD2 3.88Å; Y254-H258 AromaticContact CZ-CD2 3.35Å; Y254-H258 AromaticContact CZ-NE2 3.38Å; Y254-H258 PolarHBondContact O-CD2 2.92Å; Y254-H258 VanDerWaalsContact O-CD2 3.26Å; Y254-H258 PolarHBondContact O-N 3.03Å
255L93.9Very high94.8Very high8 Ų833.5 Ų33.54%0.04217%0.171CC..Hα-helixtrans-60.8-52177.9179.962.5000111.4F173 F185 L186 I227 L251 R252 Y257 H258 I259F173-L255 HydrophobicContact CZ-CD2 4.16Å; F185-L255 HydrophobicContact CB-CD1 4.04Å; L186-L255 HydrophobicContact CD2-CD2 4.24Å; I227-L255 HydrophobicContact CD1-CD2 3.59Å; L251-L255 PolarHBondContact O-N 3.15Å; R252-L255 PolarHBondContact O-N 3.36Å; L255-Y257 VanDerWaalsContact C-N 3.25Å; L255-Y257 PolarHBondContact O-N 3.19Å; L255-H258 PolarHBondContact O-N 3.18Å; L255-I259 HydrophobicContact CD1-CD1 4.08Å; L255-I259 HydrophobicContact CD1-CG1 4.46Å; L255-I259 HydrophobicContact CG-CD1 3.93Å; L255-I259 WeakPolarHBondContact O-CD1 3.15Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.32Å; L255-I259 PolarHBondContact O-N 3.44Å
256H93.5Very high94.8Very high19 Ų1937.3 Ų37.39%0.08819%0.19CC..Hα-helixtrans-64.1-27.6179.3-87.2-99000113.7T171 F173 R252 N253 K260T171-H256 PolarHBondContact OG1-NE2 3.31Å; F173-H256 AromaticContact CE1-CE1 3.96Å; F173-H256 AromaticContact CE1-NE2 3.8Å; R252-H256 PolarHBondContact O-CD2 3.1Å; R252-H256 VanDerWaalsContact O-CD2 3.31Å; R252-H256 PolarHBondContact O-N 2.78Å; N253-H256 PolarHBondContact O-N 3.16Å; H256-K260 WeakPolarHBondContact O-CD 3.41Å; H256-K260 WeakPolarHBondContact O-CG 3.44Å; H256-K260 PolarHBondContact O-NZ 3.34Å
257Y95.2Very high95Very high72 Ų7240.3 Ų40.328%0.28220%0.203SC..Hα-helixtrans-70.8-51.5172.4172.5-104.9000111.3M1 L4 N253 Y254 L255 I259 K260 C261M1-Y257 WeakPolarHBondContact O-CE1 3.44Å; M1-Y257 PolarHBondContact O-OH 2.9Å; L4-Y257 HydrophobicContact CD2-CD1 3.78Å; L4-Y257 HydrophobicContact CD2-CD2 3.99Å; L4-Y257 HydrophobicContact CD2-CE1 4.08Å; L4-Y257 HydrophobicContact CD2-CE2 4.27Å; L4-Y257 HydrophobicContact CD2-CG 3.73Å; N253-Y257 WeakPolarHBondContact O-CB 3.43Å; N253-Y257 PolarHBondContact O-N 3.29Å; Y254-Y257 PolarHBondContact O-N 3.23Å; L255-Y257 VanDerWaalsContact C-N 3.25Å; L255-Y257 PolarHBondContact O-N 3.19Å; Y257-I259 VanDerWaalsContact C-N 3.33Å; Y257-I259 PolarHBondContact O-N 2.87Å; Y257-K260 PolarHBondContact O-N 3.31Å; Y257-K260 VanDerWaalsContact O-N 3.08Å; Y257-C261 PolarHBondContact O-N 2.81Å; Y257-C261 PolarHBondContact O-SG 3.03Å; Y257-C261 VanDerWaalsContact O-SG 3.4Å
258H95.3Very high95.1Very high6 Ų645.6 Ų45.63%0.02822%0.217CC..Hα-helixtrans-67-31.1-177.9-81.3-65.9000113.8I2 F185 Y254 L255 C261 S262I2-H258 PolarHBondContact O-CE1 2.98Å; I2-H258 PolarHBondContact O-NE2 3.43Å; F185-H258 HydrophobicContact CE1-CB 3.98Å; F185-H258 HydrophobicContact CZ-CB 4.07Å; Y254-H258 AromaticContact CD1-CD2 3.81Å; Y254-H258 AromaticContact CD2-CD2 3.72Å; Y254-H258 AromaticContact CD2-NE2 3.73Å; Y254-H258 AromaticContact CE1-CD2 3.53Å; Y254-H258 AromaticContact CE2-CD2 3.47Å; Y254-H258 VanDerWaalsContact CE2-CD2 3.47Å; Y254-H258 WeakPolarHBondContact CE2-CD2 3.26Å; Y254-H258 AromaticContact CE2-NE2 3.2Å; Y254-H258 WeakPolarHBondContact CE2-NE2 3.36Å; Y254-H258 AromaticContact CG-CD2 3.88Å; Y254-H258 AromaticContact CZ-CD2 3.35Å; Y254-H258 AromaticContact CZ-NE2 3.38Å; Y254-H258 PolarHBondContact O-CD2 2.92Å; Y254-H258 VanDerWaalsContact O-CD2 3.26Å; Y254-H258 PolarHBondContact O-N 3.03Å; L255-H258 PolarHBondContact O-N 3.18Å; H258-C261 PolarHBondContact O-N 2.83Å; H258-S262 WeakPolarHBondContact O-CB 3.45Å; H258-S262 PolarHBondContact O-N 2.91Å; H258-S262 PolarHBondContact O-OG 3.2Å
259I94.9Very high95.2Very high0 Ų052.4 Ų52.40%024%0.242CC..Hα-helixtrans-59.5-48.5169.2-67.9161.9000110.4F173 D178 I181 A182 F185 L255 Y257 S262 K263F173-I259 HydrophobicContact CE1-CD1 3.65Å; F173-I259 HydrophobicContact CZ-CD1 4.32Å; D178-I259 HydrophobicContact CB-CG2 3.95Å; D178-I259 VanDerWaalsContact CG-CG2 3.43Å; D178-I259 WeakPolarHBondContact OD1-CG2 3.08Å; I181-I259 HydrophobicContact CB-CG2 4.21Å; I181-I259 HydrophobicContact CG2-CB 4.33Å; I181-I259 HydrophobicContact CG2-CG1 4.12Å; I181-I259 HydrophobicContact CG2-CG2 4.02Å; A182-I259 HydrophobicContact CB-CD1 3.67Å; A182-I259 HydrophobicContact CB-CG1 4.47Å; F185-I259 HydrophobicContact CD2-CG1 4.42Å; L255-I259 HydrophobicContact CD1-CD1 4.08Å; L255-I259 HydrophobicContact CD1-CG1 4.46Å; L255-I259 HydrophobicContact CG-CD1 3.93Å; L255-I259 WeakPolarHBondContact O-CD1 3.15Å; L255-I259 VanDerWaalsContact O-CG1 3.28Å; L255-I259 WeakPolarHBondContact O-CG1 3.32Å; L255-I259 PolarHBondContact O-N 3.44Å; Y257-I259 VanDerWaalsContact C-N 3.33Å; Y257-I259 PolarHBondContact O-N 2.87Å; I259-S262 WeakPolarHBondContact O-CB 3.32Å; I259-S262 PolarHBondContact O-N 2.89Å; I259-S262 VanDerWaalsContact O-N 3.15Å; I259-K263 PolarHBondContact O-N 3.07Å
260K95.3Very high95.5Very high101 Ų10156.4 Ų56.444%0.43926%0.262SS..Hα-helixtrans-67-39.4179.3-69.7166-17154.50112.2D178 H256 Y257 S262 K263 G264D178-K260 IonicContact OD2-NZ 3.54Å; H256-K260 WeakPolarHBondContact O-CD 3.41Å; H256-K260 WeakPolarHBondContact O-CG 3.44Å; H256-K260 PolarHBondContact O-NZ 3.34Å; Y257-K260 PolarHBondContact O-N 3.31Å; Y257-K260 VanDerWaalsContact O-N 3.08Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 2.92Å; K260-K263 PolarHBondContact O-N 2.81Å; K260-G264 PolarHBondContact O-N 3.29Å
261C96.2Very high95.6Very high48 Ų4862.2 Ų62.232%0.32429%0.288SS..Hα-helixtrans-61-37.9171.4-68.20000112.1Y257 H258 G264 Y265Y257-C261 PolarHBondContact O-N 2.81Å; Y257-C261 PolarHBondContact O-SG 3.03Å; Y257-C261 VanDerWaalsContact O-SG 3.4Å; H258-C261 PolarHBondContact O-N 2.83Å; C261-G264 PolarHBondContact O-N 3.23Å; C261-Y265 WeakPolarHBondContact O-CB 3.4Å; C261-Y265 PolarHBondContact O-N 3.23Å
262S95.9Very high95.9Very high30 Ų3064 Ų6421%0.2131%0.307CS..Hα-helixtrans-66.7-43.6176.1-59.40000112F185 H258 I259 K260 G264 Y265 I266F185-S262 VanDerWaalsContact CE2-OG 3.29Å; F185-S262 WeakPolarHBondContact CE2-OG 3.35Å; F185-S262 VanDerWaalsContact CZ-OG 3.23Å; F185-S262 WeakPolarHBondContact CZ-OG 3.42Å; H258-S262 WeakPolarHBondContact O-CB 3.45Å; H258-S262 PolarHBondContact O-N 2.91Å; H258-S262 PolarHBondContact O-OG 3.2Å; I259-S262 WeakPolarHBondContact O-CB 3.32Å; I259-S262 PolarHBondContact O-N 2.89Å; I259-S262 VanDerWaalsContact O-N 3.15Å; K260-S262 VanDerWaalsContact C-N 3.29Å; K260-S262 PolarHBondContact O-N 2.92Å; S262-G264 VanDerWaalsContact C-N 3.34Å; S262-G264 PolarHBondContact O-N 3.32Å; S262-Y265 PolarHBondContact O-N 3.28Å; S262-I266 VanDerWaalsContact O-CG1 3.29Å; S262-I266 WeakPolarHBondContact O-CG1 3.24Å; S262-I266 PolarHBondContact O-N 2.94Å
263K95.2Very high96.1Very high46 Ų4667 Ų6720%0.232%0.32CS..Hα-helixtrans-56.5-47.5171.1-64.9-161.4-61.2-159.30111.1E175 D178 I181 I259 K260 Y265 I266 H267E175-K263 IonicContact OE1-NZ 3.98Å; E175-K263 IonicContact OE2-NZ 3.4Å; E175-K263 PolarHBondContact OE2-NZ 3.32Å; D178-K263 WeakPolarHBondContact OD1-CD 3.41Å; D178-K263 WeakPolarHBondContact OD1-CE 3.33Å; D178-K263 IonicContact OD1-NZ 2.88Å; D178-K263 PolarHBondContact OD1-NZ 3.47Å; D178-K263 IonicContact OD2-NZ 3.23Å; I181-K263 HydrophobicContact CD1-CD 4.08Å; I181-K263 HydrophobicContact CD1-CG 3.6Å; I259-K263 PolarHBondContact O-N 3.07Å; K260-K263 PolarHBondContact O-N 2.81Å; K263-Y265 VanDerWaalsContact C-N 3.35Å; K263-Y265 PolarHBondContact O-N 3.22Å; K263-I266 PolarHBondContact O-N 3.38Å; K263-H267 PolarHBondContact O-CD2 3Å; K263-H267 PolarHBondContact O-N 3.17Å
264G96.6Very high96.2Very high41 Ų4170.2 Ų70.242%0.42334%0.341SS..Hα-helixtrans-60.7-37.6175.600000114.2K260 C261 S262 H267 R268K260-G264 PolarHBondContact O-N 3.29Å; C261-G264 PolarHBondContact O-N 3.23Å; S262-G264 VanDerWaalsContact C-N 3.34Å; S262-G264 PolarHBondContact O-N 3.32Å; G264-H267 PolarHBondContact O-N 3.09Å; G264-R268 PolarHBondContact O-N 3.32Å
265Y96.6Very high96.4Very high64 Ų6474 Ų7425%0.25136%0.358SS..Hα-helixtrans-68.1-42.3174.5178.3-99.6000112.4C261 S262 K263 H267 R268 R269 F409C261-Y265 WeakPolarHBondContact O-CB 3.4Å; C261-Y265 PolarHBondContact O-N 3.23Å; S262-Y265 PolarHBondContact O-N 3.28Å; K263-Y265 VanDerWaalsContact C-N 3.35Å; K263-Y265 PolarHBondContact O-N 3.22Å; Y265-H267 VanDerWaalsContact C-N 3.33Å; Y265-H267 PolarHBondContact O-N 3.19Å; Y265-R268 WeakPolarHBondContact O-CB 3.44Å; Y265-R268 PolarHBondContact O-N 3.5Å; Y265-R269 HydrophobicContact CD1-CG 4.43Å; Y265-R269 VanDerWaalsContact CE1-CD 3.41Å; Y265-R269 HydrophobicContact CE1-CG 3.8Å; Y265-R269 HydrophobicContact CE2-CG 4.45Å; Y265-R269 PolarHBondContact O-N 3.42Å; Y265-R269 PolarHBondContact OH-NH1 3.41Å; Y265-F409 HydrophobicContact CD1-CE1 4.16Å; Y265-F409 AromaticContact CD1-CZ 3.79Å; Y265-F409 HydrophobicContact CD1-CZ 3.79Å; Y265-F409 AromaticContact CE1-CE1 3.8Å; Y265-F409 HydrophobicContact CE1-CE1 3.8Å; Y265-F409 AromaticContact CE1-CE2 3.69Å; Y265-F409 HydrophobicContact CE1-CE2 3.69Å; Y265-F409 AromaticContact CE1-CZ 3.09Å; Y265-F409 HydrophobicContact CE1-CZ 3.09Å; Y265-F409 HydrophobicContact CE2-CZ 4.1Å; Y265-F409 AromaticContact CZ-CE2 3.61Å; Y265-F409 AromaticContact CZ-CZ 3.3Å; Y265-F409 VanDerWaalsContact OH-CE2 3.24Å; Y265-F409 WeakPolarHBondContact OH-CE2 3.49Å; Y265-F409 WeakPolarHBondContact OH-CZ 3.39Å
266I96.4Very high96.5Very high80 Ų8077.8 Ų77.841%0.4138%0.376SS..Hα-helixtrans-60.2-44.4174.1-67.2163.7000109.9S262 K263 R268 R269 M270S262-I266 VanDerWaalsContact O-CG1 3.29Å; S262-I266 WeakPolarHBondContact O-CG1 3.24Å; S262-I266 PolarHBondContact O-N 2.94Å; K263-I266 PolarHBondContact O-N 3.38Å; I266-R268 VanDerWaalsContact C-N 3.34Å; I266-R268 PolarHBondContact O-N 3.48Å; I266-R269 PolarHBondContact O-N 2.93Å; I266-R269 VanDerWaalsContact O-N 3.12Å; I266-M270 HydrophobicContact CG2-CE 4.19Å; I266-M270 HydrophobicContact CG2-CG 4.39Å; I266-M270 HydrophobicContact CG2-SD 4.38Å; I266-M270 WeakPolarHBondContact O-CG 3.27Å; I266-M270 PolarHBondContact O-N 2.8Å
267H97.1Very high96.7Very high103 Ų10382.1 Ų82.148%0.47740%0.395SS..Hα-helixtrans-55.6-47173.7-70.4-162.3000111.5K263 G264 Y265 R269 M270 H271K263-H267 PolarHBondContact O-CD2 3Å; K263-H267 PolarHBondContact O-N 3.17Å; G264-H267 PolarHBondContact O-N 3.09Å; Y265-H267 VanDerWaalsContact C-N 3.33Å; Y265-H267 PolarHBondContact O-N 3.19Å; H267-R269 VanDerWaalsContact C-N 3.33Å; H267-R269 PolarHBondContact O-N 3.13Å; H267-M270 PolarHBondContact O-N 2.91Å; H267-H271 PolarHBondContact O-CD2 3.3Å; H267-H271 PolarHBondContact O-N 2.95Å
268R97.4Very high96.8Very high195 Ų19582.4 Ų82.474%0.73640%0.4SS*.Hα-helixtrans-58.9-40.4176.5-173.4179178.5-175.1-0112.6G264 Y265 I266 A272G264-R268 PolarHBondContact O-N 3.32Å; Y265-R268 WeakPolarHBondContact O-CB 3.44Å; Y265-R268 PolarHBondContact O-N 3.5Å; I266-R268 VanDerWaalsContact C-N 3.34Å; I266-R268 PolarHBondContact O-N 3.48Å; R268-A272 PolarHBondContact O-N 3.47Å; R268-A272 VanDerWaalsContact O-N 3.13Å
269R97.6Very high96.9Very high151 Ų15187.9 Ų87.957%0.5742%0.424SS*.Hα-helixtrans-67.3-41.1174.7-68.6-166.677.6112.9-5112.4Y265 I266 H267 A272 K273Y265-R269 HydrophobicContact CD1-CG 4.43Å; Y265-R269 VanDerWaalsContact CE1-CD 3.41Å; Y265-R269 HydrophobicContact CE1-CG 3.8Å; Y265-R269 HydrophobicContact CE2-CG 4.45Å; Y265-R269 PolarHBondContact O-N 3.42Å; Y265-R269 PolarHBondContact OH-NH1 3.41Å; I266-R269 PolarHBondContact O-N 2.93Å; I266-R269 VanDerWaalsContact O-N 3.12Å; H267-R269 VanDerWaalsContact C-N 3.33Å; H267-R269 PolarHBondContact O-N 3.13Å; R269-A272 PolarHBondContact O-N 3.2Å; R269-K273 PolarHBondContact O-N 2.77Å
270M98.1Very high96.9Very high100 Ų10092.5 Ų92.549%0.49345%0.447SS..Hα-helixtrans-61.5-46.5175.8-69-168.9-62.100111.1I266 H267 A272 K273 T274I266-M270 HydrophobicContact CG2-CE 4.19Å; I266-M270 HydrophobicContact CG2-CG 4.39Å; I266-M270 HydrophobicContact CG2-SD 4.38Å; I266-M270 WeakPolarHBondContact O-CG 3.27Å; I266-M270 PolarHBondContact O-N 2.8Å; H267-M270 PolarHBondContact O-N 2.91Å; M270-A272 VanDerWaalsContact C-N 3.33Å; M270-A272 PolarHBondContact O-N 2.82Å; M270-K273 PolarHBondContact O-N 3.05Å; M270-T274 WeakPolarHBondContact O-CB 3.27Å; M270-T274 PolarHBondContact O-N 3.16Å; M270-T274 PolarHBondContact O-OG1 2.8Å; M270-T274 VanDerWaalsContact O-OG1 3.1Å
271H97.7Very high97Very high139 Ų13993.3 Ų93.364%0.64446%0.456SS*.Hα-helixtrans-56.7-44.4174.1-78.6-70.3000112.6H267 K273 T274 F275H267-H271 PolarHBondContact O-CD2 3.3Å; H267-H271 PolarHBondContact O-N 2.95Å; H271-K273 PolarHBondContact O-N 3.18Å; H271-T274 PolarHBondContact O-N 3.34Å; H271-F275 WeakPolarHBondContact O-CB 3.45Å; H271-F275 PolarHBondContact O-N 2.98Å
272A97.9Very high96.9Very high62 Ų6294.7 Ų94.751%0.51246%0.46SS..Hα-helixtrans-61.9-42.2177.400000112.5R268 R269 M270 F275 E276R268-A272 PolarHBondContact O-N 3.47Å; R268-A272 VanDerWaalsContact O-N 3.13Å; R269-A272 PolarHBondContact O-N 3.2Å; M270-A272 VanDerWaalsContact C-N 3.33Å; M270-A272 PolarHBondContact O-N 2.82Å; A272-F275 PolarHBondContact O-N 2.88Å; A272-E276 PolarHBondContact O-N 2.91Å; A272-E276 VanDerWaalsContact O-N 3.12Å
273K97.7Very high96.8Very high91 Ų91104 Ų10440%0.39649%0.491SS..Hα-helixtrans-71.4-39.7178.3-165.273.1-158.2169.90112.4R269 M270 H271 F275 E276 F277R269-K273 PolarHBondContact O-N 2.77Å; M270-K273 PolarHBondContact O-N 3.05Å; H271-K273 PolarHBondContact O-N 3.18Å; K273-F275 VanDerWaalsContact C-N 3.31Å; K273-F275 PolarHBondContact O-N 2.85Å; K273-E276 WeakPolarHBondContact CD-OE2 3.38Å; K273-E276 WeakPolarHBondContact CE-OE2 3.48Å; K273-E276 IonicContact NZ-OE1 3.39Å; K273-E276 PolarHBondContact NZ-OE1 2.86Å; K273-E276 IonicContact NZ-OE2 3.25Å; K273-E276 PolarHBondContact NZ-OE2 3.02Å; K273-E276 WeakPolarHBondContact O-CB 3.41Å; K273-E276 PolarHBondContact O-N 2.86Å; K273-E276 VanDerWaalsContact O-N 3.16Å; K273-F277 HydrophobicContact CD-CZ 4.3Å; K273-F277 HydrophobicContact CG-CD2 4.3Å; K273-F277 HydrophobicContact CG-CE1 4.46Å; K273-F277 HydrophobicContact CG-CE2 3.69Å; K273-F277 HydrophobicContact CG-CZ 3.78Å; K273-F277 WeakPolarHBondContact O-CD2 3.34Å; K273-F277 WeakPolarHBondContact O-CG 3.41Å; K273-F277 PolarHBondContact O-N 3.09Å
274T98.1Very high96.7Very high75 Ų75105.6 Ų105.646%0.4651%0.512SS..Hα-helixtrans-62-39173.2-62.30000111.5M270 H271 E276 F277 I278M270-T274 WeakPolarHBondContact O-CB 3.27Å; M270-T274 PolarHBondContact O-N 3.16Å; M270-T274 PolarHBondContact O-OG1 2.8Å; M270-T274 VanDerWaalsContact O-OG1 3.1Å; H271-T274 PolarHBondContact O-N 3.34Å; T274-E276 VanDerWaalsContact C-N 3.33Å; T274-E276 PolarHBondContact O-N 3.4Å; T274-F277 PolarHBondContact O-N 3.35Å; T274-I278 HydrophobicContact CG2-CD1 3.93Å; T274-I278 HydrophobicContact CG2-CG1 4.48Å; T274-I278 VanDerWaalsContact O-CG1 3.29Å; T274-I278 WeakPolarHBondContact O-CG1 3.48Å; T274-I278 PolarHBondContact O-N 2.92Å
275F97.5Very high96.4Very high124 Ų124112 Ų11254%0.54452%0.524SS..Hα-helixtrans-64.5-35.9174-174.5-124.8000112.6H271 A272 K273 K279H271-F275 WeakPolarHBondContact O-CB 3.45Å; H271-F275 PolarHBondContact O-N 2.98Å; A272-F275 PolarHBondContact O-N 2.88Å; K273-F275 VanDerWaalsContact C-N 3.31Å; K273-F275 PolarHBondContact O-N 2.85Å; F275-K279 HydrophobicContact CE1-CD 4.47Å; F275-K279 VanDerWaalsContact CE1-NZ 3.31Å; F275-K279 WeakPolarHBondContact O-CG 3.4Å; F275-K279 PolarHBondContact O-N 2.89Å
276E97.2Very high96.1Very high87 Ų87113.9 Ų113.941%0.40754%0.544SS..Hα-helixtrans-64.3-46.1171.1-166.4-165134.100111.8A272 K273 T274 I278 K279 I280A272-E276 PolarHBondContact O-N 2.91Å; A272-E276 VanDerWaalsContact O-N 3.12Å; K273-E276 WeakPolarHBondContact CD-OE2 3.38Å; K273-E276 WeakPolarHBondContact CE-OE2 3.48Å; K273-E276 IonicContact NZ-OE1 3.39Å; K273-E276 PolarHBondContact NZ-OE1 2.86Å; K273-E276 IonicContact NZ-OE2 3.25Å; K273-E276 PolarHBondContact NZ-OE2 3.02Å; K273-E276 WeakPolarHBondContact O-CB 3.41Å; K273-E276 PolarHBondContact O-N 2.86Å; K273-E276 VanDerWaalsContact O-N 3.16Å; T274-E276 VanDerWaalsContact C-N 3.33Å; T274-E276 PolarHBondContact O-N 3.4Å; E276-I278 PolarHBondContact O-N 3.15Å; E276-K279 WeakPolarHBondContact O-CB 3.39Å; E276-K279 PolarHBondContact O-N 2.78Å; E276-I280 HydrophobicContact CG-CD1 4.45Å; E276-I280 WeakPolarHBondContact O-CG1 3.5Å; E276-I280 PolarHBondContact O-N 2.79Å
277F97.4Very high95Very high110 Ų110116.3 Ų116.348%0.48255%0.554SS.*Hα-helixtrans-62.2-41.1175.6-64.2-38.4000112.5K273 T274 K279 I280 L281K273-F277 HydrophobicContact CD-CZ 4.3Å; K273-F277 HydrophobicContact CG-CD2 4.3Å; K273-F277 HydrophobicContact CG-CE1 4.46Å; K273-F277 HydrophobicContact CG-CE2 3.69Å; K273-F277 HydrophobicContact CG-CZ 3.78Å; K273-F277 WeakPolarHBondContact O-CD2 3.34Å; K273-F277 WeakPolarHBondContact O-CG 3.41Å; K273-F277 PolarHBondContact O-N 3.09Å; T274-F277 PolarHBondContact O-N 3.35Å; F277-K279 VanDerWaalsContact C-N 3.32Å; F277-K279 PolarHBondContact O-N 2.86Å; F277-I280 HydrophobicContact CD1-CD1 4.44Å; F277-I280 PolarHBondContact O-N 2.9Å; F277-I280 VanDerWaalsContact O-N 3.16Å; F277-L281 WeakPolarHBondContact O-CG 3.44Å; F277-L281 PolarHBondContact O-N 2.83Å
278I97.2Very high93.3Very high78 Ų78120.5 Ų120.540%0.457%0.571SS.*Hα-helixtrans-61.7-39.9174.3-70.4165.6000111T274 E276 I280 L281 N282T274-I278 HydrophobicContact CG2-CD1 3.93Å; T274-I278 HydrophobicContact CG2-CG1 4.48Å; T274-I278 VanDerWaalsContact O-CG1 3.29Å; T274-I278 WeakPolarHBondContact O-CG1 3.48Å; T274-I278 PolarHBondContact O-N 2.92Å; E276-I278 PolarHBondContact O-N 3.15Å; I278-I280 PolarHBondContact O-N 2.82Å; I278-L281 PolarHBondContact O-N 2.76Å; I278-N282 WeakPolarHBondContact O-CB 3.47Å; I278-N282 VanDerWaalsContact O-CG 3.28Å; I278-N282 PolarHBondContact O-N 3.34Å; I278-N282 PolarHBondContact O-ND2 3.25Å
279K96Very high91.3Very high121 Ų121119.8 Ų119.853%0.52657%0.57SS.*Hα-helixtrans-61.3-42.4173.1-75.7172.6178.3178.50112.1F275 E276 F277 N282 R283F275-K279 HydrophobicContact CE1-CD 4.47Å; F275-K279 VanDerWaalsContact CE1-NZ 3.31Å; F275-K279 WeakPolarHBondContact O-CG 3.4Å; F275-K279 PolarHBondContact O-N 2.89Å; E276-K279 WeakPolarHBondContact O-CB 3.39Å; E276-K279 PolarHBondContact O-N 2.78Å; F277-K279 VanDerWaalsContact C-N 3.32Å; F277-K279 PolarHBondContact O-N 2.86Å; K279-N282 PolarHBondContact O-N 3.43Å; K279-R283 WeakPolarHBondContact O-CB 3.42Å; K279-R283 PolarHBondContact O-N 2.88Å
280I96.2Very high88.8Confident96 Ų96117.9 Ų117.949%0.49258%0.578SS.*Hα-helixtrans-64.1-46.7177.5-66.4164.3000110.5E276 F277 I278 N282 R283 A284E276-I280 HydrophobicContact CG-CD1 4.45Å; E276-I280 WeakPolarHBondContact O-CG1 3.5Å; E276-I280 PolarHBondContact O-N 2.79Å; F277-I280 HydrophobicContact CD1-CD1 4.44Å; F277-I280 PolarHBondContact O-N 2.9Å; F277-I280 VanDerWaalsContact O-N 3.16Å; I278-I280 PolarHBondContact O-N 2.82Å; I280-N282 PolarHBondContact O-N 3.39Å; I280-R283 VanDerWaalsContact O-CB 3.31Å; I280-R283 WeakPolarHBondContact O-CB 3.46Å; I280-R283 PolarHBondContact O-N 3.16Å; I280-R283 VanDerWaalsContact O-N 3.11Å; I280-A284 PolarHBondContact O-N 2.81Å
281L96.2Very high86.3Confident119 Ų119120.9 Ų120.962%0.62360%0.595SS**Hα-helixtrans-61.2-42.3176.3-71.1170.7000112.5F277 I278 R283 A284F277-L281 WeakPolarHBondContact O-CG 3.44Å; F277-L281 PolarHBondContact O-N 2.83Å; I278-L281 PolarHBondContact O-N 2.76Å; L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.65Å; L281-A284 PolarHBondContact O-N 3.08Å; L281-A284 VanDerWaalsContact O-N 3.17Å
282N94.7Very high83.8Confident76 Ų76120.8 Ų120.841%0.40660%0.599SS.*Hα-helixtrans-65.5-30.9175.1-75-25000112.3I278 K279 I280 A284 R285I278-N282 WeakPolarHBondContact O-CB 3.47Å; I278-N282 VanDerWaalsContact O-CG 3.28Å; I278-N282 PolarHBondContact O-N 3.34Å; I278-N282 PolarHBondContact O-ND2 3.25Å; K279-N282 PolarHBondContact O-N 3.43Å; I280-N282 PolarHBondContact O-N 3.39Å; N282-A284 VanDerWaalsContact C-N 3.29Å; N282-A284 PolarHBondContact O-N 2.98Å; N282-R285 PolarHBondContact O-N 2.94Å
283R93.7Very high81.3Confident225 Ų225123.5 Ų123.585%0.84961%0.612SS**Hα-helixtrans-69.8-24.1174.1-131.5175.5-172.4158.31.1113.4K279 I280 L281K279-R283 WeakPolarHBondContact O-CB 3.42Å; K279-R283 PolarHBondContact O-N 2.88Å; I280-R283 VanDerWaalsContact O-CB 3.31Å; I280-R283 WeakPolarHBondContact O-CB 3.46Å; I280-R283 PolarHBondContact O-N 3.16Å; I280-R283 VanDerWaalsContact O-N 3.11Å; L281-R283 VanDerWaalsContact C-N 3.27Å; L281-R283 PolarHBondContact O-N 2.65Å
284A94.1Very high79Confident80 Ų80125.8 Ų125.866%0.66163%0.633SS**THydrogen-bonded Turntrans-85.1-6.9177.300000113.7I280 L281 N282I280-A284 PolarHBondContact O-N 2.81Å; L281-A284 PolarHBondContact O-N 3.08Å; L281-A284 VanDerWaalsContact O-N 3.17Å; N282-A284 VanDerWaalsContact C-N 3.29Å; N282-A284 PolarHBondContact O-N 2.98Å
285R90.1Very high76.4Confident175 Ų175129.2 Ų129.266%0.6665%0.647SS**SBendtrans-72.3130.1173-68.1-177.9174.9178-1.7109.8N282 Q287N282-R285 PolarHBondContact O-N 2.94Å; R285-Q287 PolarHBondContact O-N 3.48Å; R285-Q287 VanDerWaalsContact O-N 3.16Å
286P89Confident73.6Confident104 Ų104132.9 Ų132.968%0.67567%0.666SS**  trans-56.8121172.6-24.434.2000110.5F288P286-F288 PolarHBondContact O-N 2.84Å
287Q74.9Confident71Confident131 Ų131134.6 Ų134.661%0.61268%0.683SS**  trans-78.5107167-65.3-169.213.200107.3R285 Y289R285-Q287 PolarHBondContact O-N 3.48Å; R285-Q287 VanDerWaalsContact O-N 3.16Å; Q287-Y289 HydrophobicContact CB-CD2 4.04Å; Q287-Y289 HydrophobicContact CB-CE2 3.74Å; Q287-Y289 WeakPolarHBondContact O-CD2 3.43Å; Q287-Y289 PolarHBondContact O-N 3.33Å; Q287-Y289 PolarHBondContact OE1-OH 2.87Å
288F61.7Low68.1Low191 Ų191133.3 Ų133.384%0.83870%0.7SS**  trans-69.280.2167.7-64.9-77.2000108.7P286 C290P286-F288 PolarHBondContact O-N 2.84Å; F288-C290 PolarHBondContact O-N 2.94Å
289Y53.8Low65.5Low181 Ų181136.6 Ų136.671%0.7172%0.724SS**  trans-64.2102.5164.6-66.7-75.3000107.7Q287 L291Q287-Y289 HydrophobicContact CB-CD2 4.04Å; Q287-Y289 HydrophobicContact CB-CE2 3.74Å; Q287-Y289 WeakPolarHBondContact O-CD2 3.43Å; Q287-Y289 PolarHBondContact O-N 3.33Å; Q287-Y289 PolarHBondContact OE1-OH 2.87Å; Y289-L291 PolarHBondContact O-N 2.67Å; Y289-L291 VanDerWaalsContact O-N 3.15Å
290C46.8Very low62.8Low110 Ų110136 Ų13674%0.74374%0.735SS**  trans-57.9117.4164.734.60000108.5F288 N292F288-C290 PolarHBondContact O-N 2.94Å; C290-N292 PolarHBondContact O-N 3.05Å
291L44.8Very low59.8Low163 Ų163140 Ų14085%0.85375%0.754SS**  trans-6890.4-177.8-69164.1000110.2Y289 P293Y289-L291 PolarHBondContact O-N 2.67Å; Y289-L291 VanDerWaalsContact O-N 3.15Å; L291-P293 WeakPolarHBondContact O-CD 3.06Å
292N44.1Very low56.9Low137 Ų137143.6 Ų143.673%0.73377%0.77SS**  trans-99.993.4161.8-79.5-11.5000108.8C290 V294C290-N292 PolarHBondContact O-N 3.05Å; N292-V294 PolarHBondContact O-N 2.69Å
293P47.2Very low53.9Low120 Ų120148.8 Ų148.878%0.77979%0.794SS**  trans-71100.7174.329.1-33.6000109.9L291 I295L291-P293 WeakPolarHBondContact O-CD 3.06Å; P293-I295 VanDerWaalsContact C-N 3.28Å; P293-I295 PolarHBondContact O-N 2.91Å
294V48.4Very low51.2Low138 Ų138144.9 Ų144.984%0.83680%0.795SS**  trans-80.276.6174.3-1750000109.8N292N292-V294 PolarHBondContact O-N 2.69Å
295I43.6Very low48.3Very low148 Ų148147 Ų14776%0.75980%0.8SS**  trans-135.2106.9156.8-57.5-178.6000107.4P293 T297P293-I295 VanDerWaalsContact C-N 3.28Å; P293-I295 PolarHBondContact O-N 2.91Å; I295-T297 HydrophobicContact CG2-CG2 4.32Å
296Q38.7Very low45.9Very low200 Ų200144.2 Ų144.294%0.93580%0.803SS**  trans-125.488.2174.5-154.517520.500107.6
297T42.6Very low43.5Very low124 Ų124144.9 Ų144.976%0.76181%0.805SS**PPolyproline II helixtrans-85.9135.8174.939.40000110I295I295-T297 HydrophobicContact CG2-CG2 4.32Å
298G36.6Very low41.5Very low82 Ų82143.4 Ų143.485%0.84581%0.809SS**PPolyproline II helixtrans-68.9139-161.400000115.7
299T42.9Very low40.3Very low147 Ų147143.4 Ų143.490%0.90281%0.814SS**PPolyproline II helixtrans-75.5141.7169.5-42.90000110.8
300S39Very low39.3Very low110 Ų110144.1 Ų144.177%0.76982%0.821SS**PPolyproline II helixtrans-70.1159.7175.6-165.60000112.9
301M33.2Very low38.8Very low179 Ų179144.1 Ų144.188%0.88282%0.822SS**PPolyproline II helixtrans-53.5141.1-171-59.7174173.400115.6
302M35.6Very low38.5Very low194 Ų194143.3 Ų143.396%0.95682%0.817SS**  -155.5143.5119.2-106.2-166175.600111.1
303M31.4Very low38Very low185 Ų185142.5 Ų142.591%0.91182%0.817SS**  trans-89.8136.3-179.4-71.5-150.1-92.400111.9
304T36.8Very low37.4Very low143 Ų143141.3 Ų141.388%0.87781%0.812SS**  trans-158.2141.9130.613.40000112.3
305T33Very low36.9Very low126 Ų126141.4 Ų141.477%0.77381%0.808SS**  trans-53.6155.9178.638.60000117.1
306T40.3Very low36.4Very low116 Ų116139.4 Ų139.471%0.71281%0.807SS**  133.9129.1120.5-27.90000115.4
307T38.5Very low36Very low118 Ų118137.9 Ų137.972%0.72480%0.797SS**  trans54.9107.9153.140.20000122.4
308S31.9Very low35.6Very low100 Ų100141.5 Ų141.570%0.69980%0.803SS**  19.2133.6123.560.70000121.1
309M37.9Very low35.4Very low191 Ų191143.5 Ų143.594%0.94180%0.799SS**  -166156.7123.5-96.2-73.4174.500110.2
310K32Very low34.8Very low196 Ų196142.9 Ų142.985%0.85279%0.79SS**  trans-96.7175.5-178.2-71.4174.7173.8175.10112
311S36Very low34.6Very low109 Ų109145.6 Ų145.676%0.76280%0.796SS**  trans96.5150.6147.789.60000116.9
312I38.6Very low34.3Very low146 Ų146144.1 Ų144.175%0.74979%0.792SS**  cis-165.5147.8-13.7-116.4170.6000109.3
313T34.4Very low34.3Very low121 Ų121142.7 Ų142.774%0.74279%0.786SS**  trans27.9147.9157.468.60000122.4
314S35Very low34.1Very low94 Ų94139.6 Ų139.666%0.65778%0.778SS**  -179.7141.971.654.10000117.6
315N36.4Very low33.9Very low141 Ų141140.4 Ų140.475%0.75478%0.777SS**  trans61.1150.3142.9-54.5-12.2000120.3
316S33.5Very low33.9Very low106 Ų106137.7 Ų137.774%0.74177%0.774SS**  cis-148.1132.915.750.80000111.1
317F30.5Very low33.6Very low168 Ų168140.6 Ų140.674%0.73778%0.779SS**  72112.872.3-90.3-70.3000118.1
318F33.7Very low33.4Very low199 Ų199141.9 Ų141.987%0.87378%0.782SS**  trans177.1131.4146-93.3-72.6000107
319T33.7Very low33.3Very low124 Ų124140.4 Ų140.476%0.76178%0.783SS**  cis-160.2142.7-15.85.90000107.6
320D29.2Very low33.2Very low134 Ų134138 Ų13872%0.71777%0.772SS**  trans-74.6161178.1-70.5-63.5000114.3
321N35.4Very low33.2Very low168 Ų168136.8 Ų136.890%0.89878%0.775SS**  trans-152.7105144.2-102.6-31.1000110.6
322N27.2Very low33.3Very low147 Ų147141.4 Ų141.479%0.78678%0.777SS**  trans-81.9133169.3-89.5-37000110.4
323I34.3Very low33Very low165 Ų165142.4 Ų142.485%0.84678%0.784SS**  trans-135.9127.7149.5-62.3-174.9000108.9
324T27.3Very low33.1Very low119 Ų119143.6 Ų143.673%0.7379%0.786SS**  trans-89.3146.2178.148.90000112.3
325N34.2Very low32.9Very low161 Ų161146.4 Ų146.486%0.86179%0.794SS**  trans-169.7133.9147.5-82.4-32.1000105.2
326G31.1Very low33.1Very low69 Ų69145.8 Ų145.871%0.71179%0.79SS**  77117.163.900000108.6
327E34.8Very low33.2Very low176 Ų176146.8 Ų146.882%0.82279%0.787SS**  cis-154.4166.619-66.3174.3114.200112
328N34.4Very low33.6Very low145 Ų145146.6 Ų146.678%0.77579%0.794SS**  trans14.2131.9145.7-43.3-34.6000118.8
329G29.3Very low33.7Very low70 Ų70145.1 Ų145.172%0.72280%0.795SS**  cis9492.616.800000112.6
330I35.4Very low33.6Very low140 Ų140142.6 Ų142.672%0.71879%0.794SS**  trans-164.8114.6153.8-90.5142.5000106.8Y332I330-Y332 HydrophobicContact CG2-CD2 3.48Å; I330-Y332 VanDerWaalsContact CG2-CD2 3.48Å; I330-Y332 HydrophobicContact CG2-CE2 3.67Å
331D33.8Very low34Very low170 Ų170144 Ų14491%0.90980%0.799SS**  trans-118.9115.5161.2-99.7-37.5000106.5
332Y36.5Very low34.1Very low207 Ų207142.4 Ų142.481%0.81279%0.791SS**  trans-93.1106.1175.1-89.5-77.2000110I330I330-Y332 HydrophobicContact CG2-CD2 3.48Å; I330-Y332 VanDerWaalsContact CG2-CD2 3.48Å; I330-Y332 HydrophobicContact CG2-CE2 3.67Å
333N32.6Very low34.6Very low167 Ų167142.6 Ų142.689%0.89379%0.792SS**  trans-131.899.5167.3-139.1-5000107.7
334N36.3Very low34.5Very low146 Ų146139.2 Ų139.278%0.78178%0.783SS**  trans-112.6113.3-175.8-161.44.9000110.1
335N31.6Very low35Very low153 Ų153141.2 Ų141.282%0.81879%0.789SS**  trans-105.8123.2-175.5-149.65.4000107.5
336N39.9Very low35Very low128 Ų128140 Ų14068%0.68478%0.783SS**  trans-152103172.5-116.8-26.7000113.2
337N35.5Very low35.4Very low127 Ų127143.2 Ų143.268%0.67978%0.784SS**  trans31.1115.1130.6-59-26.5000118.6
338N39.1Very low35.6Very low164 Ų164142.1 Ų142.188%0.87778%0.784SS**  -174.8153.888.5-96.3-37.7000113.4
339N35.4Very low35.8Very low168 Ų168138.8 Ų138.890%0.89878%0.783SS**  trans-90.9143.7178.1-73-39.3000112.5
340G32.7Very low36.2Very low71 Ų71140.4 Ų140.473%0.73278%0.783SS**  103.9151.712800000120.1
341I38.3Very low36.4Very low162 Ų162140.1 Ų140.183%0.83178%0.784SS**  trans96.693.4161.3-51.4171.8000117.4
342D35.6Very low36.6Very low136 Ų136138.7 Ų138.773%0.72778%0.776SS**  trans3.8132.2136.3-45.2-35.4000119.9
343N38.1Very low36.6Very low150 Ų150132.7 Ų132.780%0.80277%0.769SS**  170.7138.497.4-109.4-52.9000114.9
344S32.2Very low36.6Very low94 Ų94129.8 Ų129.866%0.65776%0.762SS**  trans-22.6140.2158.1-440000119.3
345N37.6Very low36.7Very low161 Ų161130.7 Ų130.786%0.86177%0.765SS**  -166.3150.3120.5-105.8-36000115.8
346N35.4Very low36.7Very low135 Ų135132 Ų13272%0.72277%0.766SS**  trans-68.3156.9177.2-67.5-45.6000113.8
347N38.8Very low36.6Very low138 Ų138132.7 Ų132.774%0.73878%0.775SS**  170143.1104.6-93.6-28.8000117.9
348N40Very low36.4Very low153 Ų153133.8 Ų133.882%0.81878%0.781SS**  trans78.2136.8138.6-65.5-16.7000125.3
349G37.7Very low36.3Very low75 Ų75138.2 Ų138.277%0.77379%0.786SS**  trans10597.1154.300000115.5
350S38.1Very low36.3Very low103 Ų103138.7 Ų138.772%0.7278%0.78SS**  cis93.5133.526.5-149.80000115.9
351N39.5Very low36.4Very low135 Ų135142.1 Ų142.172%0.72278%0.781SS**  trans74.2148.7167.7-52.2-25.3000117.5
352N38.6Very low36.3Very low140 Ų140141.7 Ų141.775%0.74979%0.786SS**  cis-159.7141.4-8.5-111.3-13.7000113.2
353A36.6Very low36.2Very low80 Ų80143.5 Ų143.566%0.66179%0.792SS**  42.2117.6129.200000124.6
354S31.4Very low36.2Very low107 Ų107141.6 Ų141.675%0.74879%0.791SS**  44.8137129.466.40000123.7
355I38.5Very low36.3Very low165 Ų165142.6 Ų142.685%0.84679%0.793SS**  -167.3139121.5-98.6152.7000111
356Q31.8Very low36.5Very low179 Ų179141.3 Ų141.384%0.83679%0.785SS**  trans-92.5154169.2-64173.4-1200110.5
357T36.9Very low36.6Very low143 Ų143143.5 Ų143.588%0.87779%0.788SS**  trans-168142.7131.911.60000113.2
358N31.6Very low36.3Very low151 Ų151143.4 Ų143.481%0.80779%0.788SS**  trans-76155.9176.6-77-65.2000112.9
359R37.3Very low36Very low257 Ų257142.2 Ų142.297%0.9779%0.786SS**  trans-136.6140.8142.3-113.7178.9-178.4177.50.7111.8
360K36.4Very low35.8Very low178 Ų178150.9 Ų150.977%0.77480%0.795SS**  trans-104.9156.3-167.3-79.5177.9172.51770112.5
361N33.6Very low35.5Very low142 Ų142150.8 Ų150.876%0.75980%0.795SS**  trans51.9125.5143.2-60.48.5000121
362T37.4Very low35.1Very low153 Ų153152.8 Ų152.894%0.93980%0.802SS**  -141.7158.8118.229.90000109.9
363M33.8Very low35Very low174 Ų174151.4 Ų151.486%0.85780%0.803SS**  trans-148.3129.2-158.2172-173.3179.200111
364S37.1Very low34.8Very low110 Ų110156 Ų15677%0.76981%0.811SS**  trans-173.8117.7148.240.20000110.6
365T35.1Very low34.9Very low116 Ų116160.3 Ų160.371%0.71282%0.819SS**  62.911982.6-270000111.9
366I41Very low34.7Very low133 Ų133160.7 Ų160.768%0.68282%0.817SS**  -173130.680.1-88.7173.5000112
367K37.8Very low35Very low181 Ų181161.3 Ų161.379%0.78782%0.82SS**  trans48158.2143.3-60.8174.6-165.1174.50121.5
368D33.3Very low34.9Very low137 Ų137161.8 Ų161.873%0.73381%0.812SS**  cis164.3121.9-31.2-99.3-40.9000106.4
369T32.1Very low35.2Very low127 Ų127163.1 Ų163.178%0.77982%0.818SS**  trans29.8128.3148.762.20000122.1
370R35.1Very low35.1Very low257 Ų257154.6 Ų154.697%0.9780%0.798SS**  -156.7157.2129.4-114.5172.5-170.7-170.21.6112.9
371S30.6Very low35.2Very low102 Ų102152.1 Ų152.171%0.71380%0.798SS**  trans-128.4155.7-16352.90000113.4
372M31.9Very low35.5Very low176 Ų176150.4 Ų150.487%0.86780%0.795SS**  trans65156.4169-44-144.77900114.7
373S35.7Very low35.3Very low111 Ų111149.2 Ų149.278%0.77679%0.789SS**  cis-150.8177.419.550.90000113.1
374Q32Very low35.6Very low177 Ų177147.4 Ų147.483%0.82779%0.788SS**  trans-57.5153.7-176.9-57.2157.8-7.800115.7
375Q35.1Very low35.4Very low197 Ų197153 Ų15392%0.92179%0.792SS**  -165.6160.6120.9-107.8172.515.500114.4
376H33Very low35.1Very low173 Ų173156.6 Ų156.680%0.80180%0.801SS**  trans-83154-170-72.9-70.1000115.6
377Q38.1Very low34.8Very low192 Ų192156.5 Ų156.590%0.89781%0.806SS**  -176.6109.1123.3-96.5162.442.900107.4
378H34.5Very low34.4Very low154 Ų154153.5 Ų153.571%0.71381%0.808SS**  78.393.960.4-153.5-65.1000114.3
379L38.2Very low34.5Very low178 Ų178153.7 Ų153.793%0.93281%0.814SS**  trans-147.6122.3154-146.573000112.7
380S34.5Very low34.6Very low79 Ų79152.7 Ų152.755%0.55281%0.812SS**  trans-113.4160.8-177.5540000108.8
381T40.1Very low34.3Very low125 Ų125145.9 Ų145.977%0.76780%0.804SS**  cis-175.3-16010.69.20000105.8
382P39.3Very low34.4Very low107 Ų107148 Ų14870%0.69581%0.813SS**  -124.2-176.2-5235.2-17.3000111.7
383P33.6Very low34.3Very low127 Ų127145.2 Ų145.283%0.82581%0.811SS**  trans-91.4162-178.136.1-35.5000114.8
384V39.4Very low34.2Very low136 Ų136145.8 Ų145.882%0.82482%0.815SS**  trans-125.3110.4-176.1178.30000113.7
385R33.8Very low34.1Very low228 Ų228143 Ų14386%0.8682%0.815SS**  trans58.5117.9142.1-123.5174.1-171.5175.11.9121.7
386Q28.1Very low34Very low191 Ų191139.2 Ų139.289%0.89381%0.81SS**  trans-73.2147.9149.7-67.3170.3-30.600110.8
387T35.2Very low33.8Very low131 Ų131137.1 Ų137.180%0.80481%0.81SS**  trans-129.7129.5156.839.70000110
388S28.7Very low33.5Very low118 Ų118132.7 Ų132.783%0.82580%0.8SS**  trans-86145.1-179.141.70000111.8
389V36.4Very low33.4Very low141 Ų141135.7 Ų135.786%0.85581%0.807SS**  trans-135.2133.9159.1-169.20000109.5
390S33.7Very low33.1Very low106 Ų106132.7 Ų132.774%0.74180%0.796SS**  trans-41.3141.7-171.249.30000119.3
391S28.6Very low33Very low115 Ų115135 Ų13580%0.80481%0.807SS**  trans-69.6143.5158.452.60000113.6
392T33.1Very low32.7Very low146 Ų146134.9 Ų134.990%0.89681%0.806SS**  trans-131.2136.7149.631.90000109.5
393S29.5Very low32.4Very low118 Ų118137.4 Ų137.483%0.82581%0.813SS**  trans-109.1137.8-173.146.80000111.7
394S33.3Very low32.6Very low123 Ų123136.9 Ų136.986%0.8681%0.81SS**  trans-151.4128.5150.847.60000111.5
395S29.1Very low32.6Very low118 Ų118137.5 Ų137.583%0.82580%0.804SS**  trans-56.2141.6-176.448.70000115.9
396S33.8Very low33.2Very low118 Ų118129.8 Ų129.883%0.82578%0.784SS**  trans-145143.214254.10000110.8
397T29.7Very low34Very low129 Ų129121.7 Ų121.779%0.79175%0.749SS**  trans-85.4122.3-161.9-460000112.5
398S31.4Very low34.2Very low99 Ų99119.9 Ų119.969%0.69273%0.734SS**  trans-99.1111175.642.10000112.6T400S398-T400 PolarHBondContact O-N 3.07Å
399Y33Very low34.9Very low216 Ų216117.7 Ų117.785%0.84771%0.71SS**  trans-79.489.7162.3-77.3-85.9000109.4T401Y399-T401 PolarHBondContact O-N 3.13Å; Y399-T401 VanDerWaalsContact O-N 3.07Å
400T31.4Very low35.3Very low116 Ų116112.2 Ų112.271%0.71268%0.675SS**  trans-78.391.2177.3-51.90000110.7S398 T402S398-T400 PolarHBondContact O-N 3.07Å; T400-T402 PolarHBondContact O-N 3.47Å
401T32.7Very low35.9Very low127 Ų127111 Ų11178%0.77966%0.66SS**  trans-71.2114.6163.9-51.30000108.5Y399 L403Y399-T401 PolarHBondContact O-N 3.13Å; Y399-T401 VanDerWaalsContact O-N 3.07Å; T401-L403 PolarHBondContact O-N 3.47Å
402T33.5Very low36.6Very low123 Ų123112.3 Ų112.376%0.75566%0.658SS**  trans-69.7101-179.639.30000111.3T400T400-T402 PolarHBondContact O-N 3.47Å
403L33.6Very low37.2Very low160 Ų160109.4 Ų109.484%0.83864%0.637SS**PPolyproline II helixtrans-64.3136.2162.7-82.6160.5000109.1T401T401-L403 PolarHBondContact O-N 3.47Å
404P37.2Very low37.5Very low116 Ų116105.4 Ų105.475%0.75362%0.615SS**PPolyproline II helixtrans-61.4141174.4-1729.1000110.4S406P404-S406 PolarHBondContact O-N 3.07Å
405Q39.2Very low38.3Very low149 Ų149103 Ų10370%0.69659%0.587SS**PPolyproline II helixtrans-57.9125.9177.4-70.3177.8-79.300110.5S407 D408Q405-S407 WeakPolarHBondContact CB-OG 3.35Å; Q405-S407 PolarHBondContact O-N 2.62Å; Q405-S407 VanDerWaalsContact O-N 3.1Å; Q405-D408 PolarHBondContact O-N 3.17Å
406S46.9Very low38.9Very low65 Ų65102.6 Ų102.646%0.45558%0.575SS.*Hα-helixtrans-58.8-22.3179.436.10000113.5P404 D408 F409 M410P404-S406 PolarHBondContact O-N 3.07Å; S406-D408 VanDerWaalsContact C-N 3.34Å; S406-D408 PolarHBondContact O-N 3.12Å; S406-F409 PolarHBondContact O-N 3.49Å; S406-M410 PolarHBondContact O-N 3.21Å
407S43.2Very low39.1Very low22 Ų22101.9 Ų101.915%0.15456%0.562CS.*Hα-helixtrans-57.1-40.8174.855.90000113.6Q405 F409 L411Q405-S407 WeakPolarHBondContact CB-OG 3.35Å; Q405-S407 PolarHBondContact O-N 2.62Å; Q405-S407 VanDerWaalsContact O-N 3.1Å; S407-F409 VanDerWaalsContact C-N 3.34Å; S407-L411 PolarHBondContact O-N 2.79Å
408D41.2Very low39.6Very low92 Ų92100.4 Ų100.449%0.49255%0.55SS.*Hα-helixtrans-76-29.4-178.5-69.3-1.4000111.1Q405 S406 N412Q405-D408 PolarHBondContact O-N 3.17Å; S406-D408 VanDerWaalsContact C-N 3.34Å; S406-D408 PolarHBondContact O-N 3.12Å; D408-N412 WeakPolarHBondContact O-CB 3.5Å; D408-N412 PolarHBondContact O-N 2.72Å; D408-N412 VanDerWaalsContact O-N 3.1Å
409F42.4Very low40.1Very low73 Ų73100.5 Ų100.532%0.3254%0.542SS..Hα-helixtrans-70.5-36.5178.2-179.4-100.2000112.6Y265 S406 S407 N413Y265-F409 HydrophobicContact CD1-CE1 4.16Å; Y265-F409 AromaticContact CD1-CZ 3.79Å; Y265-F409 HydrophobicContact CD1-CZ 3.79Å; Y265-F409 AromaticContact CE1-CE1 3.8Å; Y265-F409 HydrophobicContact CE1-CE1 3.8Å; Y265-F409 AromaticContact CE1-CE2 3.69Å; Y265-F409 HydrophobicContact CE1-CE2 3.69Å; Y265-F409 AromaticContact CE1-CZ 3.09Å; Y265-F409 HydrophobicContact CE1-CZ 3.09Å; Y265-F409 HydrophobicContact CE2-CZ 4.1Å; Y265-F409 AromaticContact CZ-CE2 3.61Å; Y265-F409 AromaticContact CZ-CZ 3.3Å; Y265-F409 VanDerWaalsContact OH-CE2 3.24Å; Y265-F409 WeakPolarHBondContact OH-CE2 3.49Å; Y265-F409 WeakPolarHBondContact OH-CZ 3.39Å; S406-F409 PolarHBondContact O-N 3.49Å; S407-F409 VanDerWaalsContact C-N 3.34Å; F409-N413 VanDerWaalsContact CE2-ND2 3.28Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.48Å; F409-N413 PolarHBondContact O-ND2 2.94Å
410M44.5Very low40.5Very low25 Ų2593.7 Ų93.712%0.12352%0.524CS..Hα-helixtrans-75.9-37.8176.3-66.5-163.473.700112.7F185 E188 S406 G414 Y415F185-M410 HydrophobicContact CD1-CE 4.16Å; F185-M410 HydrophobicContact CE1-CE 3.61Å; F185-M410 HydrophobicContact CZ-CE 4.29Å; E188-M410 HydrophobicContact CG-SD 4.4Å; S406-M410 PolarHBondContact O-N 3.21Å; M410-G414 PolarHBondContact O-N 3.29Å; M410-Y415 PolarHBondContact O-N 3.26Å
411L46.9Very low41.1Very low81 Ų8192.3 Ų92.342%0.42451%0.513SS..Hα-helixtrans-66.4-49.9177.5-81.8169.8000113S407 N413 G414S407-L411 PolarHBondContact O-N 2.79Å; L411-N413 PolarHBondContact O-N 3Å; L411-G414 PolarHBondContact O-N 3.12Å; L411-G414 VanDerWaalsContact O-N 3.16Å
412N42.8Very low41.7Very low143 Ų14390 Ų9077%0.76550%0.495SS*.THydrogen-bonded Turntrans-68-6.5-176-83.7-23.7000114.8D408D408-N412 WeakPolarHBondContact O-CB 3.5Å; D408-N412 PolarHBondContact O-N 2.72Å; D408-N412 VanDerWaalsContact O-N 3.1Å
413N45.1Very low42.2Very low84 Ų8487.6 Ų87.645%0.44948%0.476SS..THydrogen-bonded Turntrans-120.110177.7-64-66.1000113.1F409 L411 Y415F409-N413 VanDerWaalsContact CE2-ND2 3.28Å; F409-N413 WeakPolarHBondContact CE2-ND2 3.48Å; F409-N413 PolarHBondContact O-ND2 2.94Å; L411-N413 PolarHBondContact O-N 3Å; N413-Y415 HydrophobicContact CB-CD2 3.53Å; N413-Y415 HydrophobicContact CB-CE2 3.31Å; N413-Y415 PolarHBondContact O-N 3.25Å
414G36.9Very low42.9Very low34 Ų3482.1 Ų82.135%0.35145%0.449SS..THydrogen-bonded Turntrans66.633.9174.700000114.9I2 M410 L411 I416I2-G414 VanDerWaalsContact CD1-O 3.29Å; I2-G414 WeakPolarHBondContact CD1-O 3.35Å; M410-G414 PolarHBondContact O-N 3.29Å; L411-G414 PolarHBondContact O-N 3.12Å; L411-G414 VanDerWaalsContact O-N 3.16Å; G414-I416 VanDerWaalsContact C-N 3.3Å
415Y50.6Low43.4Very low73 Ų7379.3 Ų79.329%0.28642%0.423SS..  trans-83.7-1.7179-70.6-68.9000114.3M410 N413M410-Y415 PolarHBondContact O-N 3.26Å; N413-Y415 HydrophobicContact CB-CD2 3.53Å; N413-Y415 HydrophobicContact CB-CE2 3.31Å; N413-Y415 PolarHBondContact O-N 3.25Å
416I40.9Very low43.8Very low110 Ų11072.9 Ų72.956%0.56440%0.398SS*.  trans-142.20168.5-56.4179.6000107F196 G414F196-I416 HydrophobicContact CE2-CG2 4.39Å; G414-I416 VanDerWaalsContact C-N 3.3Å

Retrieved 416 of 416 residues in 345.3 ms (Link to these results)

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