A0A3Q0KDV4_SCHMA Loading...

Leucine aminopeptidase (M17 family)

AlphaFold DB , UniProt , Accession A0A3Q0KDV4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 523 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
1M43Very low86.2Confident211 Ų21171 Ų71100%1.03941%0.413SS*.  0131.70-71.9178.7-174.200107.4T3M1-T3 PolarHBondContact O-N 3.04Å
2S57.6Low87.2Confident86 Ų8665.9 Ų65.960%0.60138%0.383SS*.PPolyproline II helixtrans-55.9131.5170.8179.10000109.6S4S2-S4 PolarHBondContact O-N 3.12Å
3T76.8Confident87.8Confident118 Ų11869.8 Ų69.872%0.72442%0.417SS*.PPolyproline II helixtrans-62.2132.3167.1440000108.6M1M1-T3 PolarHBondContact O-N 3.04Å
4S90.8Very high88.5Confident62 Ų6269 Ų6943%0.43442%0.415SS..PPolyproline II helixtrans-56.1140.5173.4173.30000110.5S2 V6 E180S2-S4 PolarHBondContact O-N 3.12Å; S4-V6 PolarHBondContact OG-N 2.88Å; S4-V6 VanDerWaalsContact OG-N 3.1Å; S4-E180 WeakPolarHBondContact CB-OE1 3.43Å; S4-E180 PolarHBondContact OG-OE1 3.2Å
5V94.5Very high89.1Confident47 Ų4764.9 Ų64.929%0.28539%0.39SS..  trans-105-0.6171.6-640000112.1F156 T183V5-F156 HydrophobicContact CB-CE2 4.15Å; V5-F156 HydrophobicContact CB-CZ 3.76Å; V5-F156 HydrophobicContact CG1-CZ 4.02Å; V5-T183 HydrophobicContact CG2-CG2 3.62Å
6V97.4Very high89.6Confident11 Ų1163.3 Ų63.37%0.06738%0.38CS..SBendtrans-76.1136.2175.4178.50000108.3S4 P8 Y139 E179 E180S4-V6 PolarHBondContact OG-N 2.88Å; S4-V6 VanDerWaalsContact OG-N 3.1Å; V6-P8 WeakPolarHBondContact O-CD 3.43Å; V6-Y139 HydrophobicContact CG1-CD1 4.24Å; V6-Y139 HydrophobicContact CG1-CE1 3.66Å; V6-E179 HydrophobicContact CG1-CB 4.18Å; V6-E179 HydrophobicContact CG1-CG 3.87Å; V6-E179 HydrophobicContact CG2-CG 4.22Å; V6-E180 HydrophobicContact CG2-CG 4.05Å
7T97.5Very high90.1Very high8 Ų862.1 Ų62.15%0.04937%0.372CS..PPolyproline II helixtrans-61.3125.4176.7-64.60000109.5V9 Y139 L142 A159 F162T7-V9 PolarHBondContact O-N 3.21Å; T7-Y139 WeakPolarHBondContact O-CE1 3.31Å; T7-L142 HydrophobicContact CG2-CD1 4.28Å; T7-A159 HydrophobicContact CG2-CB 4.14Å; T7-A159 WeakPolarHBondContact CG2-O 3.5Å; T7-A159 PolarHBondContact OG1-O 2.75Å; T7-F162 HydrophobicContact CG2-CB 3.91Å
8P97Very high90.5Very high65 Ų6564.3 Ų64.342%0.42239%0.388SS..PPolyproline II helixtrans-60.3130.6-179.9-24.634.6000112.1V6 F10 F162V6-P8 WeakPolarHBondContact O-CD 3.43Å; P8-F10 HydrophobicContact CB-CE2 3.67Å; P8-F10 HydrophobicContact CB-CZ 3.72Å; P8-F10 WeakPolarHBondContact O-CE2 3.28Å; P8-F162 PolarHBondContact O-N 3.25Å
9V98Very high90.9Very high21 Ų2163.6 Ų63.613%0.12739%0.386CS..EExtended strand (participates in β ladder)trans-104.5142.4178.368.10000112.1T7 Y139 F162 V164 L172 N176T7-V9 PolarHBondContact O-N 3.21Å; V9-Y139 WeakPolarHBondContact CB-OH 3.48Å; V9-Y139 WeakPolarHBondContact CG1-OH 3.29Å; V9-F162 CarbonylContact C-O 3.46Å; V9-F162 WeakPolarHBondContact CA-O 3.48Å; V9-F162 HydrophobicContact CB-CB 4.43Å; V9-F162 HydrophobicContact CB-CD1 4.04Å; V9-F162 HydrophobicContact CG2-CB 4.41Å; V9-F162 HydrophobicContact CG2-CD1 3.69Å; V9-F162 HydrophobicContact CG2-CE1 4.17Å; V9-F162 HydrophobicContact CG2-CG 4.12Å; V9-V164 HydrophobicContact CG2-CG2 3.61Å; V9-L172 HydrophobicContact CG1-CB 4.17Å; V9-L172 HydrophobicContact CG1-CD2 4.33Å; V9-L172 HydrophobicContact CG2-CD1 4.37Å; V9-L172 HydrophobicContact CG2-CD2 3.71Å; V9-N176 HydrophobicContact CG1-CB 4.28Å
10F98.1Very high91.3Very high93 Ų9361.1 Ų61.141%0.40837%0.369SS..EExtended strand (participates in β ladder)trans-134.5142.3-176.8-56.1-86000111.7P8 R161 F162 V164 L172P8-F10 HydrophobicContact CB-CE2 3.67Å; P8-F10 HydrophobicContact CB-CZ 3.72Å; P8-F10 WeakPolarHBondContact O-CE2 3.28Å; F10-R161 HydrophobicContact CD2-CG 3.84Å; F10-R161 HydrophobicContact CE2-CG 3.89Å; F10-F162 PolarHBondContact N-O 2.96Å; F10-V164 PolarHBondContact O-N 2.96Å; F10-L172 VanDerWaalsContact C-CD1 3.45Å
11P97.7Very high91.6Very high59 Ų5960 Ų6038%0.38336%0.362SS..EExtended strand (participates in β ladder)trans-72.3136.817032.3-34.3000109.3A167 N169 L172P11-A167 VanDerWaalsContact CB-O 3.32Å; P11-A167 WeakPolarHBondContact CB-O 3.31Å; P11-N169 WeakPolarHBondContact CG-OD1 3.41Å; P11-L172 HydrophobicContact CB-CD1 3.75Å; P11-L172 HydrophobicContact CG-CD1 4.18Å
12V98Very high94.2Very high10 Ų1050 Ų506%0.06131%0.312CS..EExtended strand (participates in β ladder)trans-127.3128-177.8-175.40000109.6C14 D17 Y20 L109 V164 M165V12-C14 WeakPolarHBondContact CG1-O 3.38Å; V12-D17 HydrophobicContact CG1-CB 4.2Å; V12-Y20 HydrophobicContact CB-CE2 4.42Å; V12-Y20 HydrophobicContact CG1-CE2 4.03Å; V12-Y20 HydrophobicContact CG2-CD2 4.49Å; V12-Y20 HydrophobicContact CG2-CE1 4.42Å; V12-Y20 HydrophobicContact CG2-CE2 3.46Å; V12-Y20 VanDerWaalsContact CG2-CE2 3.46Å; V12-Y20 VanDerWaalsContact CG2-CZ 3.41Å; V12-Y20 WeakPolarHBondContact CG2-OH 3.39Å; V12-L109 HydrophobicContact CB-CD1 3.68Å; V12-L109 HydrophobicContact CG1-CD1 3.79Å; V12-L109 HydrophobicContact CG1-CD2 4.23Å; V12-L109 HydrophobicContact CG2-CD1 3.71Å; V12-V164 PolarHBondContact N-O 3.06Å; V12-M165 HydrophobicContact CB-CG 4.3Å; V12-M165 HydrophobicContact CG1-CG 4.48Å; V12-M165 WeakPolarHBondContact O-CA 3.15Å
13S95.7Very high96.2Very high117 Ų11745.9 Ų45.982%0.81828%0.284SS*.  trans-101.2-15.8179.156.40000113.6
14C96.5Very high97.2Very high58 Ų5840.3 Ų40.339%0.39225%0.249SC..  trans-116.1117.1-176.6-171.80000110.4V12 T16 D17V12-C14 WeakPolarHBondContact CG1-O 3.38Å; C14-T16 PolarHBondContact O-N 3.22Å; C14-T16 VanDerWaalsContact O-N 3.16Å; C14-T16 PolarHBondContact SG-OG1 2.93Å; C14-T16 VanDerWaalsContact SG-OG1 3.35Å; C14-D17 HydrophobicContact CB-CB 4.49Å; C14-D17 WeakPolarHBondContact O-CB 3.1Å; C14-D17 PolarHBondContact O-N 3.07Å
15L97.6Very high97.6Very high7 Ų737.4 Ų37.44%0.03723%0.229CC..THydrogen-bonded Turntrans-57.4-29.6177.6179.360.3000112.6V23 L37 L39 F63 H66 L109 M165L15-V23 HydrophobicContact CD1-CG1 3.69Å; L15-V23 HydrophobicContact CD1-CG2 4.02Å; L15-L37 HydrophobicContact CD1-CD2 3.88Å; L15-L37 HydrophobicContact CD2-CD2 4.21Å; L15-L37 HydrophobicContact CG-CD2 4.5Å; L15-L39 HydrophobicContact CD2-CB 4.16Å; L15-F63 HydrophobicContact CD2-CE1 4.21Å; L15-F63 HydrophobicContact CD2-CZ 3.88Å; L15-F63 HydrophobicContact CG-CE1 4.28Å; L15-F63 HydrophobicContact CG-CZ 4.34Å; L15-H66 PolarHBondContact O-CD2 3.47Å; L15-H66 PolarHBondContact O-NE2 3.39Å; L15-L109 HydrophobicContact CD1-CD2 4.38Å; L15-L109 WeakPolarHBondContact O-CD2 3.44Å; L15-M165 HydrophobicContact CB-CE 4.18Å; L15-M165 HydrophobicContact CB-SD 3.91Å; L15-M165 HydrophobicContact CD1-SD 3.79Å; L15-M165 HydrophobicContact CG-SD 4.47Å
16T97.7Very high97.8Very high39 Ų3935.2 Ų35.224%0.23922%0.216CC..THydrogen-bonded Turntrans-100.121.1-175.554.90000113.9C14 P18 L39 E65 P67C14-T16 PolarHBondContact O-N 3.22Å; C14-T16 VanDerWaalsContact O-N 3.16Å; C14-T16 PolarHBondContact SG-OG1 2.93Å; C14-T16 VanDerWaalsContact SG-OG1 3.35Å; T16-P18 WeakPolarHBondContact O-CD 3.14Å; T16-L39 HydrophobicContact CG2-CD1 3.9Å; T16-E65 VanDerWaalsContact CG2-O 3.29Å; T16-E65 WeakPolarHBondContact CG2-O 3.26Å; T16-P67 WeakPolarHBondContact O-CD 3.12Å
17D97.8Very high97.8Very high44 Ų4434.7 Ų34.724%0.23521%0.212CC..  trans-59.2117.4178-176.5-24.5000111.1V12 C14 S19 Y20V12-D17 HydrophobicContact CG1-CB 4.2Å; C14-D17 HydrophobicContact CB-CB 4.49Å; C14-D17 WeakPolarHBondContact O-CB 3.1Å; C14-D17 PolarHBondContact O-N 3.07Å; D17-S19 PolarHBondContact O-N 3.44Å; D17-S19 WeakPolarHBondContact OD1-CB 3.36Å; D17-S19 PolarHBondContact OD1-N 3.02Å; D17-S19 PolarHBondContact OD1-OG 2.72Å; D17-Y20 HydrophobicContact CB-CD2 3.88Å; D17-Y20 HydrophobicContact CB-CE2 4.15Å; D17-Y20 PolarHBondContact O-N 3.37Å
18P97.5Very high97.7Very high101 Ų10135 Ų3566%0.65621%0.214SC*.THydrogen-bonded Turntrans-68.2-7.4-175.530.1-37000113.7T16 Y20 P67T16-P18 WeakPolarHBondContact O-CD 3.14Å; P18-Y20 PolarHBondContact O-N 3.45Å; P18-P67 HydrophobicContact CB-CB 4.28Å; P18-P67 HydrophobicContact CB-CG 4.06Å
19S98Very high97.6Very high51 Ų5133 Ų3336%0.35720%0.2SC..THydrogen-bonded Turntrans-69.5-14.9174.1-52.10000112.7D17 S107 R161D17-S19 PolarHBondContact O-N 3.44Å; D17-S19 WeakPolarHBondContact OD1-CB 3.36Å; D17-S19 PolarHBondContact OD1-N 3.02Å; D17-S19 PolarHBondContact OD1-OG 2.72Å; S19-S107 WeakPolarHBondContact O-CB 3.24Å; S19-R161 PolarHBondContact O-NH1 3.3Å
20Y98.4Very high97.4Very high13 Ų1333.2 Ų33.25%0.05120%0.2CC..  trans-109.1139.8-179.4-58.9-80.4000110.4V12 D17 P18 H66 S107 P108 L109 R161 G163V12-Y20 HydrophobicContact CB-CE2 4.42Å; V12-Y20 HydrophobicContact CG1-CE2 4.03Å; V12-Y20 HydrophobicContact CG2-CD2 4.49Å; V12-Y20 HydrophobicContact CG2-CE1 4.42Å; V12-Y20 HydrophobicContact CG2-CE2 3.46Å; V12-Y20 VanDerWaalsContact CG2-CE2 3.46Å; V12-Y20 VanDerWaalsContact CG2-CZ 3.41Å; V12-Y20 WeakPolarHBondContact CG2-OH 3.39Å; D17-Y20 HydrophobicContact CB-CD2 3.88Å; D17-Y20 HydrophobicContact CB-CE2 4.15Å; D17-Y20 PolarHBondContact O-N 3.37Å; P18-Y20 PolarHBondContact O-N 3.45Å; Y20-H66 PolarHBondContact O-CE1 3.03Å; Y20-H66 VanDerWaalsContact O-CE1 3.28Å; Y20-S107 CarbonylContact C-O 3.59Å; Y20-S107 WeakPolarHBondContact CA-O 3.21Å; Y20-S107 VanDerWaalsContact CB-O 3.29Å; Y20-S107 WeakPolarHBondContact CB-O 3.37Å; Y20-S107 WeakPolarHBondContact CD1-O 3.39Å; Y20-P108 WeakPolarHBondContact CD1-O 3.07Å; Y20-L109 HydrophobicContact CD1-CB 4.03Å; Y20-L109 HydrophobicContact CD2-CB 4.33Å; Y20-L109 HydrophobicContact CD2-CD1 4.45Å; Y20-L109 HydrophobicContact CD2-CD2 4.39Å; Y20-L109 HydrophobicContact CG-CB 3.76Å; Y20-R161 HydrophobicContact CE1-CG 3.75Å; Y20-G163 WeakPolarHBondContact OH-CA 3.44Å
21D97.9Very high97.1Very high39 Ų3932.5 Ų32.521%0.20920%0.198CC..SBendtrans-103.90.7-173.866.5-8.8000113.2S68 R70 C105 K106 S107D21-S68 VanDerWaalsContact C-CB 3.41Å; D21-S68 WeakPolarHBondContact O-CB 3.44Å; D21-S68 PolarHBondContact O-OG 3.06Å; D21-S68 VanDerWaalsContact O-OG 3.11Å; D21-R70 WeakPolarHBondContact O-CD 3.5Å; D21-C105 PolarHBondContact OD1-SG 3.36Å; D21-K106 PolarHBondContact OD1-N 3.09Å; D21-K106 PolarHBondContact OD2-N 2.85Å; D21-S107 PolarHBondContact N-O 3.06Å; D21-S107 WeakPolarHBondContact OD1-CA 3.38Å; D21-S107 PolarHBondContact OD1-N 2.76Å; D21-S107 VanDerWaalsContact OD1-O 3.06Å; D21-S107 PolarHBondContact OD2-N 2.88Å
22A98.2Very high97Very high0 Ų034.5 Ų34.50%020%0.202CC..EExtended strand (participates in β ladder)trans-167145.416700000111.3R70 I72 L100 C105 L109A22-R70 HydrophobicContact CB-CB 3.93Å; A22-I72 HydrophobicContact CB-CD1 3.88Å; A22-L100 HydrophobicContact CB-CD2 3.24Å; A22-C105 HydrophobicContact CB-CB 4.4Å; A22-L109 PolarHBondContact O-N 3.3Å
23V98.6Very high96.9Very high1 Ų134.6 Ų34.61%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-94.5128.2172.9178.30000109L15 F63 H66 R70 L71 I72 L109L15-V23 HydrophobicContact CD1-CG1 3.69Å; L15-V23 HydrophobicContact CD1-CG2 4.02Å; V23-F63 HydrophobicContact CG2-CD1 4.26Å; V23-F63 HydrophobicContact CG2-CE1 4.09Å; V23-H66 VanDerWaalsContact CG2-CD2 3.43Å; V23-H66 WeakPolarHBondContact CG2-CD2 3.35Å; V23-R70 PolarHBondContact N-O 3.31Å; V23-L71 HydrophobicContact CB-CD1 3.94Å; V23-L71 HydrophobicContact CG1-CD1 3.68Å; V23-L71 CarbonylContact O-C 3.54Å; V23-I72 PolarHBondContact O-N 3.17Å; V23-L109 CarbonylContact C-O 3.52Å; V23-L109 WeakPolarHBondContact CA-O 3.35Å; V23-L109 HydrophobicContact CG2-CD2 4.33Å
24L98.7Very high96.8Very high0 Ų030.8 Ų30.80%017%0.174CC..EExtended strand (participates in β ladder)trans-104.1111.6167.117060000109.1L26 I72 M97 L100 L109 L110 C111L24-L26 HydrophobicContact CD1-CD2 3.71Å; L24-L26 HydrophobicContact CD2-CD2 4.09Å; L24-L26 HydrophobicContact CG-CD2 3.79Å; L24-I72 WeakPolarHBondContact CA-O 3.21Å; L24-I72 HydrophobicContact CD1-CB 4.15Å; L24-I72 HydrophobicContact CD1-CG2 3.77Å; L24-M97 HydrophobicContact CD2-CG 3.67Å; L24-M97 HydrophobicContact CD2-SD 3.89Å; L24-L100 HydrophobicContact CB-CD1 3.65Å; L24-L100 HydrophobicContact CD2-CD1 4Å; L24-L100 HydrophobicContact CG-CD1 4.33Å; L24-L109 PolarHBondContact N-O 3.35Å; L24-L110 HydrophobicContact CD2-CD1 3.95Å; L24-L110 HydrophobicContact CG-CD1 4.07Å; L24-C111 PolarHBondContact O-N 3.33Å
25L98.6Very high96.8Very high2 Ų238.6 Ų38.61%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-101.6116.5175.5177.859.4000110.1L33 L37 A40 L44 L71 I72 F73 S74 C111L25-L33 HydrophobicContact CD1-CD2 4.47Å; L25-L33 HydrophobicContact CD2-CD2 4.02Å; L25-L37 HydrophobicContact CD1-CD1 3.76Å; L25-A40 HydrophobicContact CD2-CB 4.15Å; L25-L44 HydrophobicContact CD2-CD1 3.77Å; L25-L71 HydrophobicContact CB-CD1 3.83Å; L25-I72 PolarHBondContact N-O 3.35Å; L25-F73 HydrophobicContact CB-CD2 4.45Å; L25-F73 HydrophobicContact CD2-CD2 4.1Å; L25-F73 HydrophobicContact CD2-CE2 4.46Å; L25-F73 HydrophobicContact CG-CD2 4.14Å; L25-F73 HydrophobicContact CG-CE2 4.45Å; L25-S74 PolarHBondContact O-N 2.75Å; L25-C111 WeakPolarHBondContact CA-O 3.39Å; L25-C111 HydrophobicContact CD1-CB 4.06Å
26L98.5Very high96.6Very high0 Ų043.5 Ų43.50%022%0.222CC..EExtended strand (participates in β ladder)trans-96.1126.1169.3-47.3-172.8000108.8L24 S74 A92 A93 L110 C111 G113 F115 A134L24-L26 HydrophobicContact CD1-CD2 3.71Å; L24-L26 HydrophobicContact CD2-CD2 4.09Å; L24-L26 HydrophobicContact CG-CD2 3.79Å; L26-S74 WeakPolarHBondContact CA-O 3.42Å; L26-A92 HydrophobicContact CD2-CB 4.21Å; L26-A93 HydrophobicContact CD1-CB 3.67Å; L26-L110 HydrophobicContact CD1-CD1 3.72Å; L26-L110 HydrophobicContact CD2-CD1 4.4Å; L26-L110 HydrophobicContact CG-CD1 3.74Å; L26-C111 PolarHBondContact N-O 2.97Å; L26-G113 PolarHBondContact O-N 2.98Å; L26-F115 HydrophobicContact CB-CE1 4.41Å; L26-F115 HydrophobicContact CB-CZ 4.3Å; L26-A134 HydrophobicContact CD1-CB 3.74Å
27N97.8Very high96.6Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-156.2163.6170.6-155.228.6000110.6D29 F73 P75 T76 G113 S114 F115N27-D29 WeakPolarHBondContact CB-O 3.47Å; N27-D29 PolarHBondContact ND2-O 3.25Å; N27-D29 PolarHBondContact ND2-OD1 2.95Å; N27-F73 HydrophobicContact CB-CE2 3.98Å; N27-F73 HydrophobicContact CB-CZ 4.41Å; N27-P75 WeakPolarHBondContact O-CA 3.39Å; N27-T76 PolarHBondContact O-N 2.81Å; N27-T76 PolarHBondContact O-OG1 3.49Å; N27-G113 VanDerWaalsContact OD1-C 3.32Å; N27-G113 VanDerWaalsContact OD1-CA 3.3Å; N27-G113 WeakPolarHBondContact OD1-CA 3.19Å; N27-S114 PolarHBondContact OD1-N 2.88Å; N27-S114 VanDerWaalsContact OD1-N 3.15Å; N27-F115 PolarHBondContact OD1-N 3.04Å; N27-F115 VanDerWaalsContact OD1-N 3.1Å
28D96.3Very high96.5Very high15 Ų1544.2 Ų44.28%0.0822%0.221CC..SBendtrans-92.2-10174.960.8-14.2000113.1T76 G77 L79 F115 I116 S117D28-T76 VanDerWaalsContact CA-OG1 3.31Å; D28-T76 WeakPolarHBondContact CA-OG1 3.48Å; D28-T76 WeakPolarHBondContact CB-OG1 3.5Å; D28-T76 PolarHBondContact N-OG1 3.12Å; D28-G77 VanDerWaalsContact CB-O 3.22Å; D28-G77 WeakPolarHBondContact CB-O 3.42Å; D28-L79 HydrophobicContact CB-CG 4.42Å; D28-F115 VanDerWaalsContact OD1-CA 3.23Å; D28-F115 WeakPolarHBondContact OD1-CA 3.39Å; D28-F115 WeakPolarHBondContact OD2-CA 3.36Å; D28-I116 PolarHBondContact OD1-N 3.15Å; D28-I116 VanDerWaalsContact OD1-N 3.14Å; D28-I116 PolarHBondContact OD2-N 3.36Å; D28-S117 WeakPolarHBondContact OD2-CA 3.22Å; D28-S117 WeakPolarHBondContact OD2-CB 3.29Å; D28-S117 PolarHBondContact OD2-N 2.85Å; D28-S117 PolarHBondContact OD2-OG 3.42Å
29D94.5Very high96.5Very high23 Ų2343.7 Ų43.712%0.12321%0.212CC..  trans-147.9174.4176.386.3-44000111.7N27 E31 H32 I116N27-D29 WeakPolarHBondContact CB-O 3.47Å; N27-D29 PolarHBondContact ND2-O 3.25Å; N27-D29 PolarHBondContact ND2-OD1 2.95Å; D29-E31 PolarHBondContact OD2-N 2.89Å; D29-H32 WeakPolarHBondContact OD2-CB 2.98Å; D29-H32 IonicContact OD2-CE1 3.7Å; D29-H32 IonicContact OD2-CG 3.63Å; D29-H32 PolarHBondContact OD2-N 2.89Å; D29-H32 IonicContact OD2-ND1 2.77Å; D29-H32 PolarHBondContact OD2-ND1 2.89Å; D29-I116 HydrophobicContact CB-CG2 4.39Å
30I92.4Very high96.4Very high25 Ų2541.3 Ų41.313%0.12820%0.196CC..SBendtrans-112.2-9.4178.367.2171.1000112.7F54 F73I30-F54 HydrophobicContact CB-CZ 4.35Å; I30-F54 HydrophobicContact CD1-CE1 3.78Å; I30-F54 HydrophobicContact CD1-CZ 3.96Å; I30-F54 HydrophobicContact CG2-CE1 4.31Å; I30-F54 HydrophobicContact CG2-CE2 4.15Å; I30-F54 HydrophobicContact CG2-CZ 3.62Å; I30-F73 HydrophobicContact CG2-CE1 3.93Å; I30-F73 HydrophobicContact CG2-CE2 4.08Å; I30-F73 HydrophobicContact CG2-CZ 3.61Å
31E93.3Very high96.4Very high78 Ų7844.4 Ų44.436%0.36421%0.208SC..SBendtrans-90.5-33.7-172.6-62-66.2168.400112D29 Y41 K45D29-E31 PolarHBondContact OD2-N 2.89Å; E31-Y41 WeakPolarHBondContact OE2-CE2 3.48Å; E31-Y41 PolarHBondContact OE2-OH 2.81Å; E31-K45 IonicContact OE1-NZ 2.75Å; E31-K45 PolarHBondContact OE1-NZ 3.44Å; E31-K45 IonicContact OE2-NZ 3.85Å
32H94.8Very high96.3Very high102 Ų10248 Ų4847%0.47222%0.222SC..  trans-110.184.2-172.2-56.988.7000113D29 S114 I116D29-H32 WeakPolarHBondContact OD2-CB 2.98Å; D29-H32 IonicContact OD2-CE1 3.7Å; D29-H32 IonicContact OD2-CG 3.63Å; D29-H32 PolarHBondContact OD2-N 2.89Å; D29-H32 IonicContact OD2-ND1 2.77Å; D29-H32 PolarHBondContact OD2-ND1 2.89Å; H32-S114 WeakPolarHBondContact O-CB 3.19Å; H32-S114 PolarHBondContact O-OG 3.17Å; H32-I116 HydrophobicContact CB-CB 4.37Å
33L96Very high96.3Very high11 Ų1148.2 Ų48.26%0.05822%0.223CC..  trans-94.6143.8174.1-62.6-179.2000112.6L25 L37 Q38 A40 L44L25-L33 HydrophobicContact CD1-CD2 4.47Å; L25-L33 HydrophobicContact CD2-CD2 4.02Å; L33-L37 HydrophobicContact CB-CB 4.39Å; L33-Q38 PolarHBondContact O-NE2 2.87Å; L33-A40 HydrophobicContact CD1-CB 4.09Å; L33-L44 HydrophobicContact CD1-CD1 3.83Å
34P94.8Very high96.2Very high37 Ų3748.2 Ų48.224%0.2422%0.223CC..  trans-65.7159.7171.129.6-34.5000110.4D36 L37 Q38 S114P34-D36 PolarHBondContact O-N 2.86Å; P34-D36 VanDerWaalsContact O-N 3.14Å; P34-L37 HydrophobicContact CG-CB 4.01Å; P34-L37 HydrophobicContact CG-CD1 3.6Å; P34-L37 HydrophobicContact CG-CG 3.78Å; P34-L37 PolarHBondContact O-N 2.97Å; P34-Q38 PolarHBondContact O-N 3.27Å; P34-S114 WeakPolarHBondContact CD-OG 3.45Å
35R94.7Very high96.1Very high223 Ų22351.8 Ų51.884%0.84224%0.239SC*.G310 helixtrans-50.4-43.3-174.3-175.1-179.4179.2-176.3-0.9113.2L37 Q38R35-L37 PolarHBondContact O-N 2.63Å; R35-Q38 WeakPolarHBondContact O-CB 3.47Å; R35-Q38 VanDerWaalsContact O-CG 3.32Å; R35-Q38 WeakPolarHBondContact O-CG 3.35Å; R35-Q38 PolarHBondContact O-N 3.45Å
36D95Very high96Very high110 Ų11056.3 Ų56.359%0.58826%0.26SS*.G310 helixtrans-73.8-12.1-175.4-58.1-27.9000113.1P34 M165P34-D36 PolarHBondContact O-N 2.86Å; P34-D36 VanDerWaalsContact O-N 3.14Å; D36-M165 HydrophobicContact CB-CE 3.98Å
37L96.7Very high95.9Very high6 Ų658.3 Ų58.33%0.03127%0.268CS..G310 helixtrans-107.94.9178.5-56.4-177.8000113.5L15 L25 L33 P34 R35 L39 A40 C111 C112 M165L15-L37 HydrophobicContact CD1-CD2 3.88Å; L15-L37 HydrophobicContact CD2-CD2 4.21Å; L15-L37 HydrophobicContact CG-CD2 4.5Å; L25-L37 HydrophobicContact CD1-CD1 3.76Å; L33-L37 HydrophobicContact CB-CB 4.39Å; P34-L37 HydrophobicContact CG-CB 4.01Å; P34-L37 HydrophobicContact CG-CD1 3.6Å; P34-L37 HydrophobicContact CG-CG 3.78Å; P34-L37 PolarHBondContact O-N 2.97Å; R35-L37 PolarHBondContact O-N 2.63Å; L37-L39 PolarHBondContact O-N 3.29Å; L37-L39 VanDerWaalsContact O-N 3.12Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.2Å; L37-C111 HydrophobicContact CD1-CB 3.91Å; L37-C111 HydrophobicContact CD2-CB 3.75Å; L37-C112 WeakPolarHBondContact CD1-O 3.09Å; L37-M165 HydrophobicContact CD2-CE 4.04Å; L37-M165 HydrophobicContact CD2-SD 3.55Å; L37-M165 VanDerWaalsContact CD2-SD 3.55Å
38Q96.2Very high95.8Very high92 Ų9259.3 Ų59.343%0.4328%0.275SS..G310 helixtrans-59.7-27-174.9-76.6-67.1-31.700114.3L33 P34 R35 A40 Y41L33-Q38 PolarHBondContact O-NE2 2.87Å; P34-Q38 PolarHBondContact O-N 3.27Å; R35-Q38 WeakPolarHBondContact O-CB 3.47Å; R35-Q38 VanDerWaalsContact O-CG 3.32Å; R35-Q38 WeakPolarHBondContact O-CG 3.35Å; R35-Q38 PolarHBondContact O-N 3.45Å; Q38-A40 PolarHBondContact O-N 2.78Å; Q38-Y41 VanDerWaalsContact O-CB 3.3Å; Q38-Y41 WeakPolarHBondContact O-CB 3.46Å; Q38-Y41 PolarHBondContact O-N 3.47Å
39L96.7Very high95.8Very high89 Ų8965.8 Ų65.847%0.46631%0.305SS..G310 helixtrans-62.6-25.4175.5-64.1170000112.5L15 T16 L37 Y41 P43 F63 E65L15-L39 HydrophobicContact CD2-CB 4.16Å; T16-L39 HydrophobicContact CG2-CD1 3.9Å; L37-L39 PolarHBondContact O-N 3.29Å; L37-L39 VanDerWaalsContact O-N 3.12Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; L39-P43 VanDerWaalsContact O-CD 3.29Å; L39-P43 WeakPolarHBondContact O-CD 3.32Å; L39-F63 HydrophobicContact CB-CE2 4.34Å; L39-F63 HydrophobicContact CB-CZ 4.19Å; L39-F63 WeakPolarHBondContact O-CE2 3.32Å; L39-E65 HydrophobicContact CB-CB 4.44Å; L39-E65 HydrophobicContact CD2-CG 4.47Å
40A96.9Very high95.8Very high2 Ų270.2 Ų70.22%0.01733%0.333CS..G310 helixtrans-77.1-16.1176.700000113.3L25 L33 L37 Q38 P43 L44 F63 L71L25-A40 HydrophobicContact CD2-CB 4.15Å; L33-A40 HydrophobicContact CD1-CB 4.09Å; L37-A40 WeakPolarHBondContact O-CB 3.21Å; L37-A40 PolarHBondContact O-N 3.2Å; Q38-A40 PolarHBondContact O-N 2.78Å; A40-P43 WeakPolarHBondContact O-CD 3.41Å; A40-L44 HydrophobicContact CB-CD1 4.36Å; A40-L44 WeakPolarHBondContact O-CD1 3.37Å; A40-L44 WeakPolarHBondContact O-CG 3.39Å; A40-L44 PolarHBondContact O-N 2.69Å; A40-L44 VanDerWaalsContact O-N 3.12Å; A40-F63 HydrophobicContact CB-CZ 4.26Å; A40-L71 HydrophobicContact CB-CD2 4.13Å
41Y97Very high96Very high77 Ų7771.2 Ų71.230%0.30234%0.338SS..Hα-helixtrans-60-52.2-175.2179.2-107000112.4E31 Q38 L39 L44 K45E31-Y41 WeakPolarHBondContact OE2-CE2 3.48Å; E31-Y41 PolarHBondContact OE2-OH 2.81Å; Q38-Y41 VanDerWaalsContact O-CB 3.3Å; Q38-Y41 WeakPolarHBondContact O-CB 3.46Å; Q38-Y41 PolarHBondContact O-N 3.47Å; L39-Y41 VanDerWaalsContact C-N 3.32Å; Y41-L44 WeakPolarHBondContact O-CB 3.38Å; Y41-L44 PolarHBondContact O-N 3.25Å; Y41-K45 WeakPolarHBondContact O-CB 3.5Å; Y41-K45 PolarHBondContact O-N 3.29Å
42K97Very high95.9Very high116 Ų11672.4 Ų72.450%0.50435%0.353SS..Hα-helixtrans-60-51.2-178173.3-174.5175.7-170.10112.1L44 K45 E46K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.44Å; K42-K45 PolarHBondContact O-N 2.99Å; K42-K45 VanDerWaalsContact O-N 3.13Å; K42-E46 WeakPolarHBondContact CE-OE1 3.28Å; K42-E46 HydrophobicContact CG-CG 4.4Å; K42-E46 IonicContact NZ-OE1 3.17Å; K42-E46 WeakPolarHBondContact O-CG 3.45Å; K42-E46 PolarHBondContact O-N 2.83Å
43P96.9Very high95.8Very high4 Ų474.4 Ų74.43%0.02636%0.36CS..Hα-helixtrans-53.7-42.6173.2-27.631.4000114.3L39 A40 F47 I61 F63 E65L39-P43 VanDerWaalsContact O-CD 3.29Å; L39-P43 WeakPolarHBondContact O-CD 3.32Å; A40-P43 WeakPolarHBondContact O-CD 3.41Å; P43-F47 VanDerWaalsContact O-CB 3.24Å; P43-F47 WeakPolarHBondContact O-CB 3.26Å; P43-F47 PolarHBondContact O-N 3.08Å; P43-I61 HydrophobicContact CB-CG2 4.2Å; P43-F63 HydrophobicContact CB-CD2 4.26Å; P43-F63 HydrophobicContact CG-CD2 3.5Å; P43-F63 HydrophobicContact CG-CE2 3.85Å; P43-E65 WeakPolarHBondContact CG-OE2 2.79Å
44L97Very high95.6Very high1 Ų174 Ų741%0.00536%0.358CS..Hα-helixtrans-64.2-43176.7-69.6164.2000111.4L25 L33 A40 Y41 K42 F47 S48 F54 I61 L71 F73L25-L44 HydrophobicContact CD2-CD1 3.77Å; L33-L44 HydrophobicContact CD1-CD1 3.83Å; A40-L44 HydrophobicContact CB-CD1 4.36Å; A40-L44 WeakPolarHBondContact O-CD1 3.37Å; A40-L44 WeakPolarHBondContact O-CG 3.39Å; A40-L44 PolarHBondContact O-N 2.69Å; A40-L44 VanDerWaalsContact O-N 3.12Å; Y41-L44 WeakPolarHBondContact O-CB 3.38Å; Y41-L44 PolarHBondContact O-N 3.25Å; K42-L44 VanDerWaalsContact C-N 3.31Å; K42-L44 PolarHBondContact O-N 3.44Å; L44-F47 PolarHBondContact O-N 2.93Å; L44-S48 PolarHBondContact O-N 3.48Å; L44-F54 HydrophobicContact CB-CZ 4.21Å; L44-F54 HydrophobicContact CD2-CE2 3.64Å; L44-F54 HydrophobicContact CD2-CZ 3.85Å; L44-I61 HydrophobicContact CD2-CD1 3.58Å; L44-L71 HydrophobicContact CD2-CD2 4.11Å; L44-L71 HydrophobicContact CG-CD2 4.14Å; L44-F73 HydrophobicContact CD2-CB 3.93Å; L44-F73 HydrophobicContact CD2-CD2 3.67Å; L44-F73 HydrophobicContact CD2-CE2 4.37Å; L44-F73 HydrophobicContact CD2-CG 3.85Å
45K96.5Very high95.3Very high75 Ų7574.4 Ų74.433%0.32636%0.362SS..Hα-helixtrans-66.5-46.7-178.6-167.762.2173.5179.80111.7E31 Y41 K42 F47 S48 E49E31-K45 IonicContact OE1-NZ 2.75Å; E31-K45 PolarHBondContact OE1-NZ 3.44Å; E31-K45 IonicContact OE2-NZ 3.85Å; Y41-K45 WeakPolarHBondContact O-CB 3.5Å; Y41-K45 PolarHBondContact O-N 3.29Å; K42-K45 PolarHBondContact O-N 2.99Å; K42-K45 VanDerWaalsContact O-N 3.13Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3.14Å; K45-S48 WeakPolarHBondContact O-CB 3Å; K45-S48 PolarHBondContact O-N 2.75Å; K45-S48 VanDerWaalsContact O-N 3.17Å; K45-S48 PolarHBondContact O-OG 3.49Å; K45-E49 PolarHBondContact O-N 2.62Å
46E96.3Very high95.1Very high97 Ų9769.6 Ų69.645%0.45335%0.353SS..Hα-helixtrans-62.1-40.6175.3-69.5177172.900111.1K42 S48 E49 V50K42-E46 WeakPolarHBondContact CE-OE1 3.28Å; K42-E46 HydrophobicContact CG-CG 4.4Å; K42-E46 IonicContact NZ-OE1 3.17Å; K42-E46 WeakPolarHBondContact O-CG 3.45Å; K42-E46 PolarHBondContact O-N 2.83Å; E46-S48 VanDerWaalsContact C-N 3.29Å; E46-S48 PolarHBondContact O-N 3.34Å; E46-E49 WeakPolarHBondContact O-CB 3.4Å; E46-E49 PolarHBondContact O-N 2.77Å; E46-E49 VanDerWaalsContact O-N 3.16Å; E46-V50 PolarHBondContact O-N 3.45Å
47F96.6Very high95.1Very high41 Ų4169.5 Ų69.518%0.1835%0.349CS..Hα-helixtrans-68.2-28.7176.8-162.6-104000113P43 L44 K45 E49 V50 N51 F54 I61P43-F47 VanDerWaalsContact O-CB 3.24Å; P43-F47 WeakPolarHBondContact O-CB 3.26Å; P43-F47 PolarHBondContact O-N 3.08Å; L44-F47 PolarHBondContact O-N 2.93Å; K45-F47 VanDerWaalsContact C-N 3.31Å; K45-F47 PolarHBondContact O-N 3.14Å; F47-E49 PolarHBondContact O-N 2.79Å; F47-V50 HydrophobicContact CD2-CB 4.5Å; F47-V50 PolarHBondContact O-N 2.98Å; F47-V50 VanDerWaalsContact O-N 3.08Å; F47-N51 HydrophobicContact CE1-CB 4.18Å; F47-N51 PolarHBondContact O-N 3.07Å; F47-F54 HydrophobicContact CD1-CB 3.79Å; F47-F54 HydrophobicContact CD1-CD1 4.05Å; F47-F54 AromaticContact CD1-CD2 3.82Å; F47-F54 HydrophobicContact CD1-CD2 3.82Å; F47-F54 HydrophobicContact CD1-CE2 4.38Å; F47-F54 AromaticContact CD1-CG 3.6Å; F47-F54 HydrophobicContact CD1-CG 3.6Å; F47-F54 HydrophobicContact CE1-CB 3.64Å; F47-F54 HydrophobicContact CE1-CD2 4.24Å; F47-F54 AromaticContact CE1-CG 3.97Å; F47-F54 HydrophobicContact CE1-CG 3.97Å; F47-I61 HydrophobicContact CB-CD1 4.28Å; F47-I61 HydrophobicContact CB-CG1 4.36Å; F47-I61 HydrophobicContact CB-CG2 3.76Å; F47-I61 HydrophobicContact CD1-CD1 3.8Å; F47-I61 HydrophobicContact CD1-CG1 3.67Å; F47-I61 HydrophobicContact CD2-CG1 4.33Å; F47-I61 HydrophobicContact CD2-CG2 4.16Å; F47-I61 HydrophobicContact CE1-CD1 4.42Å; F47-I61 HydrophobicContact CE1-CG1 3.97Å; F47-I61 HydrophobicContact CG-CB 4.4Å; F47-I61 HydrophobicContact CG-CD1 4.15Å; F47-I61 HydrophobicContact CG-CG1 3.86Å; F47-I61 HydrophobicContact CG-CG2 3.93Å; F47-I61 HydrophobicContact CZ-CG1 4.42Å
48S96.1Very high95.2Very high21 Ų2171 Ų7115%0.14736%0.358CS..Hα-helixtrans-61.7-27.9172.884.80000112.8L44 K45 E46 N51 P52L44-S48 PolarHBondContact O-N 3.48Å; K45-S48 WeakPolarHBondContact O-CB 3Å; K45-S48 PolarHBondContact O-N 2.75Å; K45-S48 VanDerWaalsContact O-N 3.17Å; K45-S48 PolarHBondContact O-OG 3.49Å; E46-S48 VanDerWaalsContact C-N 3.29Å; E46-S48 PolarHBondContact O-N 3.34Å; S48-N51 CarbonylContact O-C 3.4Å; S48-P52 WeakPolarHBondContact O-CA 3.46Å; S48-P52 WeakPolarHBondContact O-CG 3.44Å; S48-P52 VanDerWaalsContact O-N 3.14Å
49E95.9Very high95.2Very high152 Ų15267 Ų6771%0.7134%0.34SS*.Hα-helixtrans-77.1-29175.7-59.7177.2178.600111.6K45 E46 F47K45-E49 PolarHBondContact O-N 2.62Å; E46-E49 WeakPolarHBondContact O-CB 3.4Å; E46-E49 PolarHBondContact O-N 2.77Å; E46-E49 VanDerWaalsContact O-N 3.16Å; F47-E49 PolarHBondContact O-N 2.79Å
50V95.4Very high95.3Very high115 Ų11565.3 Ų65.370%0.69733%0.333SS*.Hα-helixtrans-79.1-46.2176.7179.40000111.3E46 F47E46-V50 PolarHBondContact O-N 3.45Å; F47-V50 HydrophobicContact CD2-CB 4.5Å; F47-V50 PolarHBondContact O-N 2.98Å; F47-V50 VanDerWaalsContact O-N 3.08Å
51N95.4Very high95.3Very high46 Ų4665.3 Ų65.325%0.24633%0.333CS..  trans-132.191.8176.8179.76.9000109.5F47 S48 K53 F54 E57F47-N51 HydrophobicContact CE1-CB 4.18Å; F47-N51 PolarHBondContact O-N 3.07Å; S48-N51 CarbonylContact O-C 3.4Å; N51-K53 PolarHBondContact O-N 2.83Å; N51-K53 PolarHBondContact OD1-N 3.08Å; N51-F54 HydrophobicContact CB-CB 4.07Å; N51-F54 WeakPolarHBondContact O-CB 3.42Å; N51-F54 VanDerWaalsContact O-CD1 3.26Å; N51-F54 WeakPolarHBondContact O-CD1 3.37Å; N51-F54 PolarHBondContact O-N 2.9Å; N51-F54 PolarHBondContact OD1-N 3.47Å; N51-E57 PolarHBondContact ND2-OE1 3.05Å
52P92.1Very high95.3Very high103 Ų10365.8 Ų65.867%0.66935%0.346SS*.THydrogen-bonded Turntrans-59.9-13.7-179.6-26.835.4000115.7S48S48-P52 WeakPolarHBondContact O-CA 3.46Å; S48-P52 WeakPolarHBondContact O-CG 3.44Å; S48-P52 VanDerWaalsContact O-N 3.14Å
53K92.5Very high95.3Very high145 Ų14560.3 Ų60.363%0.6332%0.322SS*.THydrogen-bonded Turntrans-109.111.4179.8-64.6-171.9175.5-173.60113.5N51 S55 D56N51-K53 PolarHBondContact O-N 2.83Å; N51-K53 PolarHBondContact OD1-N 3.08Å; K53-S55 PolarHBondContact O-N 2.74Å; K53-D56 WeakPolarHBondContact O-CB 3.34Å; K53-D56 PolarHBondContact O-N 2.95Å
54F92Very high95.3Very high1 Ų163.6 Ų63.60%0.00434%0.343CS..G310 helixtrans-61.7-18-178.789.5-84.7000113.3I30 L44 F47 N51 D56 E57 S59 I61 F73I30-F54 HydrophobicContact CB-CZ 4.35Å; I30-F54 HydrophobicContact CD1-CE1 3.78Å; I30-F54 HydrophobicContact CD1-CZ 3.96Å; I30-F54 HydrophobicContact CG2-CE1 4.31Å; I30-F54 HydrophobicContact CG2-CE2 4.15Å; I30-F54 HydrophobicContact CG2-CZ 3.62Å; L44-F54 HydrophobicContact CB-CZ 4.21Å; L44-F54 HydrophobicContact CD2-CE2 3.64Å; L44-F54 HydrophobicContact CD2-CZ 3.85Å; F47-F54 HydrophobicContact CD1-CB 3.79Å; F47-F54 HydrophobicContact CD1-CD1 4.05Å; F47-F54 AromaticContact CD1-CD2 3.82Å; F47-F54 HydrophobicContact CD1-CD2 3.82Å; F47-F54 HydrophobicContact CD1-CE2 4.38Å; F47-F54 AromaticContact CD1-CG 3.6Å; F47-F54 HydrophobicContact CD1-CG 3.6Å; F47-F54 HydrophobicContact CE1-CB 3.64Å; F47-F54 HydrophobicContact CE1-CD2 4.24Å; F47-F54 AromaticContact CE1-CG 3.97Å; F47-F54 HydrophobicContact CE1-CG 3.97Å; N51-F54 HydrophobicContact CB-CB 4.07Å; N51-F54 WeakPolarHBondContact O-CB 3.42Å; N51-F54 VanDerWaalsContact O-CD1 3.26Å; N51-F54 WeakPolarHBondContact O-CD1 3.37Å; N51-F54 PolarHBondContact O-N 2.9Å; N51-F54 PolarHBondContact OD1-N 3.47Å; F54-D56 PolarHBondContact O-N 3.27Å; F54-E57 PolarHBondContact O-N 3.5Å; F54-S59 WeakPolarHBondContact CB-OG 3.36Å; F54-S59 PolarHBondContact O-OG 3.16Å; F54-I61 HydrophobicContact CD2-CD1 3.8Å; F54-I61 HydrophobicContact CE2-CD1 3.52Å; F54-I61 HydrophobicContact CZ-CD1 4.37Å; F54-F73 HydrophobicContact CD2-CB 4.49Å; F54-F73 AromaticContact CD2-CD1 3.92Å; F54-F73 HydrophobicContact CD2-CD1 3.92Å; F54-F73 HydrophobicContact CD2-CG 4.45Å; F54-F73 HydrophobicContact CE2-CB 4.14Å; F54-F73 AromaticContact CE2-CD1 3.62Å; F54-F73 HydrophobicContact CE2-CD1 3.62Å; F54-F73 HydrophobicContact CE2-CE1 4.23Å; F54-F73 AromaticContact CE2-CG 3.91Å; F54-F73 HydrophobicContact CE2-CG 3.91Å
55S88.3Confident95.2Very high46 Ų4666.9 Ų66.932%0.32236%0.359SS..G310 helixtrans-73.4-7.3174.357.80000114.3K53 P75K53-S55 PolarHBondContact O-N 2.74Å; S55-P75 WeakPolarHBondContact O-CB 3.5Å; S55-P75 WeakPolarHBondContact O-CG 3.46Å
56D91.4Very high95.3Very high123 Ų12363.3 Ų63.366%0.65834%0.343SS*.G310 helixtrans-97.1-7.6177.6-58.3-25.9000111.9K53 F54K53-D56 WeakPolarHBondContact O-CB 3.34Å; K53-D56 PolarHBondContact O-N 2.95Å; F54-D56 PolarHBondContact O-N 3.27Å
57E94.5Very high95.3Very high108 Ų10862 Ų6251%0.50534%0.343SS..SBendtrans-144.6161-174.565.6177.5-17600113.3N51 F54 S59 P75N51-E57 PolarHBondContact ND2-OE1 3.05Å; F54-E57 PolarHBondContact O-N 3.5Å; E57-S59 PolarHBondContact O-N 3.11Å; E57-S59 PolarHBondContact O-OG 3.03Å; E57-P75 WeakPolarHBondContact O-CD 3.23Å
58V97.7Very high95.3Very high38 Ų3861.4 Ų61.423%0.2334%0.344CS..  trans-72115175.6-174.20000110.6I72 F73 S74 N95 K99V58-I72 HydrophobicContact CG1-CG2 3.64Å; V58-F73 WeakPolarHBondContact CA-O 3.5Å; V58-S74 WeakPolarHBondContact CG2-OG 3.47Å; V58-N95 HydrophobicContact CG2-CB 3.65Å; V58-K99 HydrophobicContact CG1-CB 3.64Å; V58-K99 HydrophobicContact CG1-CG 3.87Å
59S97.7Very high95.4Very high6 Ų665.9 Ų65.94%0.04236%0.361CS..EExtended strand (participates in β ladder)trans-116.3138.5-170.6-66.60000112.1F54 E57 I72 F73F54-S59 WeakPolarHBondContact CB-OG 3.36Å; F54-S59 PolarHBondContact O-OG 3.16Å; E57-S59 PolarHBondContact O-N 3.11Å; E57-S59 PolarHBondContact O-OG 3.03Å; S59-I72 CarbonylContact O-C 3.56Å; S59-I72 VanDerWaalsContact O-CA 3.29Å; S59-I72 WeakPolarHBondContact O-CA 2.97Å; S59-F73 PolarHBondContact N-O 2.9Å; S59-F73 PolarHBondContact O-N 3.37Å
60V97.5Very high95.5Very high54 Ų5463.4 Ų63.433%0.32735%0.345SS..EExtended strand (participates in β ladder)trans-98.6119.6171.3-179.10000107.7L71 I72 K99 I103V60-L71 CarbonylContact C-O 3.59Å; V60-L71 WeakPolarHBondContact CA-O 3.34Å; V60-I72 HydrophobicContact CG2-CG1 4.29Å; V60-K99 HydrophobicContact CG2-CD 4.26Å; V60-K99 HydrophobicContact CG2-CG 3.94Å; V60-I103 HydrophobicContact CG1-CD1 4.48Å; V60-I103 HydrophobicContact CG2-CD1 4.49Å; V60-I103 HydrophobicContact CG2-CG2 4.44Å
61I97.4Very high95.6Very high2 Ų257.9 Ų57.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-119.2130.3-169.7-55.9178.6000108.2P43 L44 F47 F54 F63 L71 F73P43-I61 HydrophobicContact CB-CG2 4.2Å; L44-I61 HydrophobicContact CD2-CD1 3.58Å; F47-I61 HydrophobicContact CB-CD1 4.28Å; F47-I61 HydrophobicContact CB-CG1 4.36Å; F47-I61 HydrophobicContact CB-CG2 3.76Å; F47-I61 HydrophobicContact CD1-CD1 3.8Å; F47-I61 HydrophobicContact CD1-CG1 3.67Å; F47-I61 HydrophobicContact CD2-CG1 4.33Å; F47-I61 HydrophobicContact CD2-CG2 4.16Å; F47-I61 HydrophobicContact CE1-CD1 4.42Å; F47-I61 HydrophobicContact CE1-CG1 3.97Å; F47-I61 HydrophobicContact CG-CB 4.4Å; F47-I61 HydrophobicContact CG-CD1 4.15Å; F47-I61 HydrophobicContact CG-CG1 3.86Å; F47-I61 HydrophobicContact CG-CG2 3.93Å; F47-I61 HydrophobicContact CZ-CG1 4.42Å; F54-I61 HydrophobicContact CD2-CD1 3.8Å; F54-I61 HydrophobicContact CE2-CD1 3.52Å; F54-I61 HydrophobicContact CZ-CD1 4.37Å; I61-F63 PolarHBondContact O-N 2.97Å; I61-L71 HydrophobicContact CB-CB 4.27Å; I61-L71 HydrophobicContact CB-CD2 4.4Å; I61-L71 HydrophobicContact CB-CG 4.48Å; I61-L71 PolarHBondContact N-O 2.74Å; I61-L71 PolarHBondContact O-N 3.16Å; I61-F73 HydrophobicContact CD1-CB 3.78Å
62P97.3Very high95.7Very high88 Ų8855.7 Ų55.757%0.57130%0.3SS*.EExtended strand (participates in β ladder)trans-56.4127.6170-23.334000110.2P64P62-P64 WeakPolarHBondContact O-CD 3.46Å
63F97.6Very high96Very high1 Ų150.9 Ų50.90%0.00427%0.268CS..  trans-125.577.7-178.2-170.8-164.4000111.7L15 V23 L39 A40 P43 I61 E65 H66 K69 L71L15-F63 HydrophobicContact CD2-CE1 4.21Å; L15-F63 HydrophobicContact CD2-CZ 3.88Å; L15-F63 HydrophobicContact CG-CE1 4.28Å; L15-F63 HydrophobicContact CG-CZ 4.34Å; V23-F63 HydrophobicContact CG2-CD1 4.26Å; V23-F63 HydrophobicContact CG2-CE1 4.09Å; L39-F63 HydrophobicContact CB-CE2 4.34Å; L39-F63 HydrophobicContact CB-CZ 4.19Å; L39-F63 WeakPolarHBondContact O-CE2 3.32Å; A40-F63 HydrophobicContact CB-CZ 4.26Å; P43-F63 HydrophobicContact CB-CD2 4.26Å; P43-F63 HydrophobicContact CG-CD2 3.5Å; P43-F63 HydrophobicContact CG-CE2 3.85Å; I61-F63 PolarHBondContact O-N 2.97Å; F63-E65 HydrophobicContact CD2-CB 4.11Å; F63-E65 VanDerWaalsContact CD2-OE2 3.24Å; F63-E65 WeakPolarHBondContact CD2-OE2 3.39Å; F63-E65 HydrophobicContact CE2-CB 3.65Å; F63-E65 HydrophobicContact CE2-CG 4.27Å; F63-E65 WeakPolarHBondContact CE2-OE2 3.21Å; F63-E65 HydrophobicContact CZ-CB 4.32Å; F63-E65 PolarHBondContact O-N 3.39Å; F63-E65 VanDerWaalsContact O-N 3.1Å; F63-H66 HydrophobicContact CB-CB 4.43Å; F63-H66 HydrophobicContact CD1-CB 3.42Å; F63-H66 VanDerWaalsContact CD1-CB 3.42Å; F63-H66 HydrophobicContact CE1-CB 3.74Å; F63-H66 HydrophobicContact CG-CB 3.9Å; F63-H66 HydrophobicContact CZ-CB 4.45Å; F63-H66 PolarHBondContact O-N 3.34Å; F63-K69 PolarHBondContact N-O 2.87Å; F63-K69 WeakPolarHBondContact O-CA 3.31Å; F63-L71 HydrophobicContact CB-CB 3.64Å; F63-L71 HydrophobicContact CD1-CB 3.82Å; F63-L71 HydrophobicContact CD1-CD1 4.48Å; F63-L71 HydrophobicContact CG-CB 3.93Å
64P96.2Very high96.3Very high73 Ų7344 Ų4447%0.47424%0.239SC..THydrogen-bonded Turntrans-55.1-30.1-173.2-26.735.7000114.8P62 H66 K69P62-P64 WeakPolarHBondContact O-CD 3.46Å; P64-H66 VanDerWaalsContact C-N 3.29Å; P64-H66 PolarHBondContact O-N 3.24Å; P64-K69 PolarHBondContact O-NZ 3.28Å
65E95.4Very high96.6Very high69 Ų6945.1 Ų45.132%0.32225%0.246SC..THydrogen-bonded Turntrans-71.9-24.2-178.1-62.269-158.200112.1T16 L39 P43 F63T16-E65 VanDerWaalsContact CG2-O 3.29Å; T16-E65 WeakPolarHBondContact CG2-O 3.26Å; L39-E65 HydrophobicContact CB-CB 4.44Å; L39-E65 HydrophobicContact CD2-CG 4.47Å; P43-E65 WeakPolarHBondContact CG-OE2 2.79Å; F63-E65 HydrophobicContact CD2-CB 4.11Å; F63-E65 VanDerWaalsContact CD2-OE2 3.24Å; F63-E65 WeakPolarHBondContact CD2-OE2 3.39Å; F63-E65 HydrophobicContact CE2-CB 3.65Å; F63-E65 HydrophobicContact CE2-CG 4.27Å; F63-E65 WeakPolarHBondContact CE2-OE2 3.21Å; F63-E65 HydrophobicContact CZ-CB 4.32Å; F63-E65 PolarHBondContact O-N 3.39Å; F63-E65 VanDerWaalsContact O-N 3.1Å
66H97.5Very high97.1Very high0 Ų043.2 Ų43.20%023%0.232CC..SBendtrans-90138.1176-165.1-87.5000111.7L15 Y20 V23 F63 P64 S68 K69L15-H66 PolarHBondContact O-CD2 3.47Å; L15-H66 PolarHBondContact O-NE2 3.39Å; Y20-H66 PolarHBondContact O-CE1 3.03Å; Y20-H66 VanDerWaalsContact O-CE1 3.28Å; V23-H66 VanDerWaalsContact CG2-CD2 3.43Å; V23-H66 WeakPolarHBondContact CG2-CD2 3.35Å; F63-H66 HydrophobicContact CB-CB 4.43Å; F63-H66 HydrophobicContact CD1-CB 3.42Å; F63-H66 VanDerWaalsContact CD1-CB 3.42Å; F63-H66 HydrophobicContact CE1-CB 3.74Å; F63-H66 HydrophobicContact CG-CB 3.9Å; F63-H66 HydrophobicContact CZ-CB 4.45Å; F63-H66 PolarHBondContact O-N 3.34Å; P64-H66 VanDerWaalsContact C-N 3.29Å; P64-H66 PolarHBondContact O-N 3.24Å; H66-S68 PolarHBondContact CE1-OG 2.98Å; H66-S68 WeakPolarHBondContact ND1-CB 3.44Å; H66-S68 PolarHBondContact ND1-N 3.12Å; H66-S68 VanDerWaalsContact ND1-N 3.1Å; H66-S68 PolarHBondContact ND1-OG 3.07Å; H66-S68 PolarHBondContact O-N 3.41Å; H66-K69 WeakPolarHBondContact O-CD 3.46Å; H66-K69 PolarHBondContact O-N 3.36Å
67P96.4Very high97.3Very high71 Ų7139.1 Ų39.146%0.46122%0.219SC..THydrogen-bonded Turntrans-52.8-39.1177.7-29.636.3000114.1T16 P18 K69T16-P67 WeakPolarHBondContact O-CD 3.12Å; P18-P67 HydrophobicContact CB-CB 4.28Å; P18-P67 HydrophobicContact CB-CG 4.06Å; P67-K69 VanDerWaalsContact C-N 3.3Å; P67-K69 PolarHBondContact O-N 3.08Å
68S96.9Very high97.4Very high27 Ų2739.6 Ų39.619%0.18922%0.216CC..THydrogen-bonded Turntrans-75.3-13.6179.179.10000115.2D21 H66 R70D21-S68 VanDerWaalsContact C-CB 3.41Å; D21-S68 WeakPolarHBondContact O-CB 3.44Å; D21-S68 PolarHBondContact O-OG 3.06Å; D21-S68 VanDerWaalsContact O-OG 3.11Å; H66-S68 PolarHBondContact CE1-OG 2.98Å; H66-S68 WeakPolarHBondContact ND1-CB 3.44Å; H66-S68 PolarHBondContact ND1-N 3.12Å; H66-S68 VanDerWaalsContact ND1-N 3.1Å; H66-S68 PolarHBondContact ND1-OG 3.07Å; H66-S68 PolarHBondContact O-N 3.41Å; S68-R70 WeakPolarHBondContact O-CG 3.18Å; S68-R70 PolarHBondContact O-N 3.44Å; S68-R70 PolarHBondContact OG-N 2.83Å
69K97.8Very high97.4Very high115 Ų11537.9 Ų37.950%0.521%0.205SC..  trans6312.3-176.5-46.7-64.8167-176.50115.8F63 P64 H66 P67F63-K69 PolarHBondContact N-O 2.87Å; F63-K69 WeakPolarHBondContact O-CA 3.31Å; P64-K69 PolarHBondContact O-NZ 3.28Å; H66-K69 WeakPolarHBondContact O-CD 3.46Å; H66-K69 PolarHBondContact O-N 3.36Å; P67-K69 VanDerWaalsContact C-N 3.3Å; P67-K69 PolarHBondContact O-N 3.08Å
70R97.8Very high97.3Very high100 Ų10041.8 Ų41.838%0.37723%0.226SC..EExtended strand (participates in β ladder)trans-119.7112.5-172.2-65.3164.9-169.8179.30.6111.2D21 A22 V23 S68 I72D21-R70 WeakPolarHBondContact O-CD 3.5Å; A22-R70 HydrophobicContact CB-CB 3.93Å; V23-R70 PolarHBondContact N-O 3.31Å; S68-R70 WeakPolarHBondContact O-CG 3.18Å; S68-R70 PolarHBondContact O-N 3.44Å; S68-R70 PolarHBondContact OG-N 2.83Å; R70-I72 HydrophobicContact CB-CD1 4.41Å
71L98.2Very high97.2Very high0 Ų042.5 Ų42.50%023%0.231CC..EExtended strand (participates in β ladder)trans-108.7134.7164174.965000108.9V23 L25 A40 L44 V60 I61 F63V23-L71 HydrophobicContact CB-CD1 3.94Å; V23-L71 HydrophobicContact CG1-CD1 3.68Å; V23-L71 CarbonylContact O-C 3.54Å; L25-L71 HydrophobicContact CB-CD1 3.83Å; A40-L71 HydrophobicContact CB-CD2 4.13Å; L44-L71 HydrophobicContact CD2-CD2 4.11Å; L44-L71 HydrophobicContact CG-CD2 4.14Å; V60-L71 CarbonylContact C-O 3.59Å; V60-L71 WeakPolarHBondContact CA-O 3.34Å; I61-L71 HydrophobicContact CB-CB 4.27Å; I61-L71 HydrophobicContact CB-CD2 4.4Å; I61-L71 HydrophobicContact CB-CG 4.48Å; I61-L71 PolarHBondContact N-O 2.74Å; I61-L71 PolarHBondContact O-N 3.16Å; F63-L71 HydrophobicContact CB-CB 3.64Å; F63-L71 HydrophobicContact CD1-CB 3.82Å; F63-L71 HydrophobicContact CD1-CD1 4.48Å; F63-L71 HydrophobicContact CG-CB 3.93Å
72I98.2Very high97.2Very high0 Ų051 Ų510%028%0.276CS..EExtended strand (participates in β ladder)trans-112.6112.7170.8-66.664.4000105.3A22 V23 L24 L25 V58 S59 V60 R70 K99 L100 I103A22-I72 HydrophobicContact CB-CD1 3.88Å; V23-I72 PolarHBondContact O-N 3.17Å; L24-I72 WeakPolarHBondContact CA-O 3.21Å; L24-I72 HydrophobicContact CD1-CB 4.15Å; L24-I72 HydrophobicContact CD1-CG2 3.77Å; L25-I72 PolarHBondContact N-O 3.35Å; V58-I72 HydrophobicContact CG1-CG2 3.64Å; S59-I72 CarbonylContact O-C 3.56Å; S59-I72 VanDerWaalsContact O-CA 3.29Å; S59-I72 WeakPolarHBondContact O-CA 2.97Å; V60-I72 HydrophobicContact CG2-CG1 4.29Å; R70-I72 HydrophobicContact CB-CD1 4.41Å; I72-K99 HydrophobicContact CG2-CB 4.48Å; I72-K99 HydrophobicContact CG2-CG 4.45Å; I72-L100 HydrophobicContact CB-CD2 4.39Å; I72-L100 HydrophobicContact CB-CG 4.45Å; I72-L100 HydrophobicContact CD1-CD2 3.33Å; I72-L100 HydrophobicContact CD1-CG 4.21Å; I72-L100 HydrophobicContact CG1-CD2 3.66Å; I72-L100 HydrophobicContact CG1-CG 3.97Å; I72-I103 HydrophobicContact CD1-CD1 3.99Å; I72-I103 HydrophobicContact CG1-CD1 4.48Å
73F98.5Very high97.1Very high1 Ų155.3 Ų55.30%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-89.6124169.5-175.4-105.1000108.3L25 N27 I30 L44 F54 V58 S59 I61 P75L25-F73 HydrophobicContact CB-CD2 4.45Å; L25-F73 HydrophobicContact CD2-CD2 4.1Å; L25-F73 HydrophobicContact CD2-CE2 4.46Å; L25-F73 HydrophobicContact CG-CD2 4.14Å; L25-F73 HydrophobicContact CG-CE2 4.45Å; N27-F73 HydrophobicContact CB-CE2 3.98Å; N27-F73 HydrophobicContact CB-CZ 4.41Å; I30-F73 HydrophobicContact CG2-CE1 3.93Å; I30-F73 HydrophobicContact CG2-CE2 4.08Å; I30-F73 HydrophobicContact CG2-CZ 3.61Å; L44-F73 HydrophobicContact CD2-CB 3.93Å; L44-F73 HydrophobicContact CD2-CD2 3.67Å; L44-F73 HydrophobicContact CD2-CE2 4.37Å; L44-F73 HydrophobicContact CD2-CG 3.85Å; F54-F73 HydrophobicContact CD2-CB 4.49Å; F54-F73 AromaticContact CD2-CD1 3.92Å; F54-F73 HydrophobicContact CD2-CD1 3.92Å; F54-F73 HydrophobicContact CD2-CG 4.45Å; F54-F73 HydrophobicContact CE2-CB 4.14Å; F54-F73 AromaticContact CE2-CD1 3.62Å; F54-F73 HydrophobicContact CE2-CD1 3.62Å; F54-F73 HydrophobicContact CE2-CE1 4.23Å; F54-F73 AromaticContact CE2-CG 3.91Å; F54-F73 HydrophobicContact CE2-CG 3.91Å; V58-F73 WeakPolarHBondContact CA-O 3.5Å; S59-F73 PolarHBondContact N-O 2.9Å; S59-F73 PolarHBondContact O-N 3.37Å; I61-F73 HydrophobicContact CD1-CB 3.78Å; F73-P75 HydrophobicContact CE1-CB 3.91Å; F73-P75 HydrophobicContact CE1-CG 4.45Å; F73-P75 HydrophobicContact CZ-CB 4.49Å
74S98.5Very high97.1Very high1 Ų156 Ų561%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-124.5103.2177.5-1680000109.1L25 L26 V58 A92 G96L25-S74 PolarHBondContact O-N 2.75Å; L26-S74 WeakPolarHBondContact CA-O 3.42Å; V58-S74 WeakPolarHBondContact CG2-OG 3.47Å; S74-A92 WeakPolarHBondContact CB-O 3.31Å; S74-A92 PolarHBondContact OG-O 3.29Å; S74-G96 PolarHBondContact OG-N 2.83Å
75P98.1Very high97.1Very high24 Ų2454 Ų5416%0.15628%0.28CS..EExtended strand (participates in β ladder)trans-70.5139.2-174.627.7-33.8000111.5N27 S55 E57 F73 G77N27-P75 WeakPolarHBondContact O-CA 3.39Å; S55-P75 WeakPolarHBondContact O-CB 3.5Å; S55-P75 WeakPolarHBondContact O-CG 3.46Å; E57-P75 WeakPolarHBondContact O-CD 3.23Å; F73-P75 HydrophobicContact CE1-CB 3.91Å; F73-P75 HydrophobicContact CE1-CG 4.45Å; F73-P75 HydrophobicContact CZ-CB 4.49Å; P75-G77 VanDerWaalsContact C-N 3.27Å
76T97.9Very high97.2Very high7 Ų750.7 Ų50.74%0.04326%0.264CS..  trans-80.9-13.3168.858.90000112.7N27 D28 N88 V89 A92 F115N27-T76 PolarHBondContact O-N 2.81Å; N27-T76 PolarHBondContact O-OG1 3.49Å; D28-T76 VanDerWaalsContact CA-OG1 3.31Å; D28-T76 WeakPolarHBondContact CA-OG1 3.48Å; D28-T76 WeakPolarHBondContact CB-OG1 3.5Å; D28-T76 PolarHBondContact N-OG1 3.12Å; T76-N88 PolarHBondContact O-ND2 3.47Å; T76-N88 VanDerWaalsContact O-ND2 3.07Å; T76-V89 HydrophobicContact CG2-CG2 4.18Å; T76-A92 HydrophobicContact CG2-CB 3.68Å; T76-F115 HydrophobicContact CG2-CD1 4.32Å; T76-F115 HydrophobicContact CG2-CE1 3.66Å
77G96.1Very high97.2Very high36 Ų3654.5 Ų54.537%0.37128%0.278SS..  trans68.2176.1-158.400000111.6D28 P75 L79D28-G77 VanDerWaalsContact CB-O 3.22Å; D28-G77 WeakPolarHBondContact CB-O 3.42Å; P75-G77 VanDerWaalsContact C-N 3.27Å; G77-L79 PolarHBondContact O-N 2.81Å
78R96.5Very high97.3Very high119 Ų11953.1 Ų53.145%0.44927%0.267SS..  trans-65.9130.4175.9-65.4-64.9-61.6-166.5-2.1109.9N80 T81R78-N80 PolarHBondContact NE-OD1 2.93Å; R78-N80 PolarHBondContact NH2-OD1 3.11Å; R78-T81 HydrophobicContact CB-CG2 3.99Å
79L96.9Very high97.4Very high1 Ų151.9 Ų51.91%0.00526%0.258CS..THydrogen-bonded Turntrans-93.11.7-177-61.5179.1000113.3D28 G77 N88 V89 F115 S117 A118 P119 W124D28-L79 HydrophobicContact CB-CG 4.42Å; G77-L79 PolarHBondContact O-N 2.81Å; L79-N88 HydrophobicContact CD2-CB 3.57Å; L79-V89 HydrophobicContact CD1-CG2 4.45Å; L79-V89 HydrophobicContact CD2-CG2 4.49Å; L79-F115 HydrophobicContact CD1-CB 3.87Å; L79-F115 HydrophobicContact CD1-CD1 4.04Å; L79-F115 HydrophobicContact CD1-CG 4.1Å; L79-S117 PolarHBondContact N-OG 3.35Å; L79-A118 HydrophobicContact CB-CB 4.32Å; L79-A118 HydrophobicContact CD1-CB 4Å; L79-P119 VanDerWaalsContact O-CD 3.25Å; L79-P119 WeakPolarHBondContact O-CD 3.38Å; L79-W124 HydrophobicContact CB-CH2 4.02Å; L79-W124 HydrophobicContact CB-CZ3 4.48Å; L79-W124 HydrophobicContact CD2-CH2 4.36Å; L79-W124 HydrophobicContact CD2-CZ3 4.33Å; L79-W124 WeakPolarHBondContact O-CH2 3.06Å
80N96.4Very high97.5Very high88 Ų8847.5 Ų47.547%0.47124%0.239SC..THydrogen-bonded Turntrans-107.820.9176.765-32.4000113.8R78 S117R78-N80 PolarHBondContact NE-OD1 2.93Å; R78-N80 PolarHBondContact NH2-OD1 3.11Å; N80-S117 VanDerWaalsContact CB-O 3.3Å; N80-S117 WeakPolarHBondContact CB-O 3.46Å
81T96.5Very high97.5Very high70 Ų7046.5 Ų46.543%0.42924%0.241SC..SBendtrans-87158.4171.668.30000110R78 E83 A84R78-T81 HydrophobicContact CB-CG2 3.99Å; T81-E83 PolarHBondContact O-N 3.02Å; T81-E83 VanDerWaalsContact O-N 3.15Å; T81-A84 WeakPolarHBondContact O-CB 3.45Å; T81-A84 PolarHBondContact O-N 2.83Å; T81-A84 VanDerWaalsContact O-N 3.09Å; T81-A84 WeakPolarHBondContact OG1-CB 3.47Å; T81-A84 PolarHBondContact OG1-N 3.01Å
82D95.9Very high97.5Very high181 Ų18146.6 Ų46.697%0.96824%0.242SC*.THydrogen-bonded Turntrans-64.7-16.1176.2-66-18.8000113.1
83E95.6Very high97.5Very high178 Ų17846.6 Ų46.683%0.83224%0.242SC*.THydrogen-bonded Turntrans-93.7-13177.5-61.6178-177.900112.9T81T81-E83 PolarHBondContact O-N 3.02Å; T81-E83 VanDerWaalsContact O-N 3.15Å
84A97Very high97.6Very high14 Ų1447.5 Ų47.512%0.11625%0.248CC..  trans-77137-173.600000112T81 W124T81-A84 WeakPolarHBondContact O-CB 3.45Å; T81-A84 PolarHBondContact O-N 2.83Å; T81-A84 VanDerWaalsContact O-N 3.09Å; T81-A84 WeakPolarHBondContact OG1-CB 3.47Å; T81-A84 PolarHBondContact OG1-N 3.01Å; A84-W124 HydrophobicContact CB-CH2 4.29Å
85D97.2Very high97.6Very high32 Ų3251.4 Ų51.417%0.17127%0.268CS..  trans-148.8-171.2167.766.539.2000111.1R87 N88D85-R87 PolarHBondContact O-N 3.19Å; D85-R87 WeakPolarHBondContact OD1-CA 3.31Å; D85-R87 WeakPolarHBondContact OD1-CB 3.5Å; D85-R87 VanDerWaalsContact OD1-CG 3.24Å; D85-R87 WeakPolarHBondContact OD1-CG 3.18Å; D85-R87 IonicContact OD1-CZ 3.86Å; D85-R87 PolarHBondContact OD1-N 3.16Å; D85-R87 IonicContact OD1-NE 3.49Å; D85-R87 PolarHBondContact OD1-NE 2.58Å; D85-R87 IonicContact OD1-NH2 2.7Å; D85-R87 IonicContact OD2-CZ 3.06Å; D85-R87 IonicContact OD2-NE 3.45Å; D85-R87 PolarHBondContact OD2-NE 2.99Å; D85-R87 IonicContact OD2-NH2 3.51Å; D85-R87 PolarHBondContact OD2-NH2 2.92Å; D85-N88 PolarHBondContact N-OD1 3.47Å; D85-N88 VanDerWaalsContact N-OD1 3.08Å; D85-N88 WeakPolarHBondContact O-CB 3.29Å; D85-N88 PolarHBondContact O-N 2.79Å; D85-N88 VanDerWaalsContact O-N 3.07Å; D85-N88 PolarHBondContact O-OD1 2.88Å; D85-N88 VanDerWaalsContact O-OD1 3.14Å
86I97.7Very high97.6Very high0 Ų050.2 Ų50.20%026%0.261CS..THydrogen-bonded Turntrans-56.7-25.2-178.4-165.953.9000114.1N88 V89 Y90 W124 L130 N133 D418I86-N88 PolarHBondContact O-N 3.13Å; I86-V89 PolarHBondContact O-N 2.84Å; I86-Y90 PolarHBondContact O-N 2.89Å; I86-W124 HydrophobicContact CB-CB 4.19Å; I86-W124 HydrophobicContact CB-CE3 4.27Å; I86-W124 HydrophobicContact CD1-CE3 4.34Å; I86-L130 HydrophobicContact CD1-CD2 3.9Å; I86-N133 HydrophobicContact CD1-CB 3.87Å; I86-N133 HydrophobicContact CG1-CB 3.85Å; I86-N133 VanDerWaalsContact CG1-ND2 3.27Å; I86-N133 WeakPolarHBondContact CG1-ND2 3.43Å; I86-N133 WeakPolarHBondContact CG1-OD1 3.45Å; I86-D418 WeakPolarHBondContact CG2-O 3.43Å
87R98.1Very high97.6Very high79 Ų7949.9 Ų49.930%0.29826%0.259SS..Hα-helixtrans-67.3-26.3179.8-60.4174-72.1171.1-3.2111.7D85 V89 Y90 D91 I423D85-R87 PolarHBondContact O-N 3.19Å; D85-R87 WeakPolarHBondContact OD1-CA 3.31Å; D85-R87 WeakPolarHBondContact OD1-CB 3.5Å; D85-R87 VanDerWaalsContact OD1-CG 3.24Å; D85-R87 WeakPolarHBondContact OD1-CG 3.18Å; D85-R87 IonicContact OD1-CZ 3.86Å; D85-R87 PolarHBondContact OD1-N 3.16Å; D85-R87 IonicContact OD1-NE 3.49Å; D85-R87 PolarHBondContact OD1-NE 2.58Å; D85-R87 IonicContact OD1-NH2 2.7Å; D85-R87 IonicContact OD2-CZ 3.06Å; D85-R87 IonicContact OD2-NE 3.45Å; D85-R87 PolarHBondContact OD2-NE 2.99Å; D85-R87 IonicContact OD2-NH2 3.51Å; D85-R87 PolarHBondContact OD2-NH2 2.92Å; R87-V89 PolarHBondContact O-N 3.07Å; R87-Y90 PolarHBondContact O-N 3.13Å; R87-Y90 VanDerWaalsContact O-N 3.16Å; R87-D91 VanDerWaalsContact O-CB 3.25Å; R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 VanDerWaalsContact O-CG 3.28Å; R87-D91 PolarHBondContact O-N 3.32Å; R87-I423 HydrophobicContact CG-CG1 4.46Å
88N98.3Very high97.7Very high43 Ų4352.7 Ų52.723%0.2326%0.264CS..Hα-helixtrans-54-41.3173.3-74.170.2000112.1T76 L79 D85 I86 A92T76-N88 PolarHBondContact O-ND2 3.47Å; T76-N88 VanDerWaalsContact O-ND2 3.07Å; L79-N88 HydrophobicContact CD2-CB 3.57Å; D85-N88 PolarHBondContact N-OD1 3.47Å; D85-N88 VanDerWaalsContact N-OD1 3.08Å; D85-N88 WeakPolarHBondContact O-CB 3.29Å; D85-N88 PolarHBondContact O-N 2.79Å; D85-N88 VanDerWaalsContact O-N 3.07Å; D85-N88 PolarHBondContact O-OD1 2.88Å; D85-N88 VanDerWaalsContact O-OD1 3.14Å; I86-N88 PolarHBondContact O-N 3.13Å; N88-A92 VanDerWaalsContact O-CB 3.27Å; N88-A92 WeakPolarHBondContact O-CB 3.35Å; N88-A92 PolarHBondContact O-N 3.2Å
89V98.6Very high97.8Very high0 Ų050.4 Ų50.40%026%0.258CS..Hα-helixtrans-74.8-43.1178.1-178.90000111.3T76 L79 I86 R87 A92 A93 F115 L130 A134T76-V89 HydrophobicContact CG2-CG2 4.18Å; L79-V89 HydrophobicContact CD1-CG2 4.45Å; L79-V89 HydrophobicContact CD2-CG2 4.49Å; I86-V89 PolarHBondContact O-N 2.84Å; R87-V89 PolarHBondContact O-N 3.07Å; V89-A92 PolarHBondContact O-N 3.16Å; V89-A93 PolarHBondContact O-N 3.36Å; V89-F115 HydrophobicContact CG1-CZ 4.28Å; V89-L130 WeakPolarHBondContact CG1-O 3.45Å; V89-L130 HydrophobicContact CG2-CD2 3.66Å; V89-A134 HydrophobicContact CG1-CB 3.79Å
90Y98.7Very high97.9Very high24 Ų2450.4 Ų50.49%0.09426%0.258CS..Hα-helixtrans-59-47.8176.4-177.5-81000111.6I86 R87 A93 V94 L136 G137 H140 R182 S421I86-Y90 PolarHBondContact O-N 2.89Å; R87-Y90 PolarHBondContact O-N 3.13Å; R87-Y90 VanDerWaalsContact O-N 3.16Å; Y90-A93 WeakPolarHBondContact O-CB 3.18Å; Y90-A93 PolarHBondContact O-N 2.99Å; Y90-V94 HydrophobicContact CD1-CG2 3.94Å; Y90-V94 HydrophobicContact CE1-CG2 3.62Å; Y90-V94 WeakPolarHBondContact O-CG2 3.47Å; Y90-V94 PolarHBondContact O-N 3.05Å; Y90-L136 HydrophobicContact CD2-CB 4.36Å; Y90-L136 HydrophobicContact CE2-CB 4.1Å; Y90-G137 VanDerWaalsContact CE2-CA 3.43Å; Y90-H140 WeakPolarHBondContact OH-CB 2.97Å; Y90-H140 VanDerWaalsContact OH-CG 3.24Å; Y90-H140 PolarHBondContact OH-ND1 2.93Å; Y90-R182 PolarHBondContact OH-NH2 3.25Å; Y90-S421 WeakPolarHBondContact CB-OG 3.38Å
91D98.4Very high97.9Very high79 Ų7948.1 Ų48.142%0.42225%0.246SC..Hα-helixtrans-69.4-38.1-178.7-70.8-18.5000111.5R87 A93 V94 N95R87-D91 VanDerWaalsContact O-CB 3.25Å; R87-D91 WeakPolarHBondContact O-CB 3.34Å; R87-D91 VanDerWaalsContact O-CG 3.28Å; R87-D91 PolarHBondContact O-N 3.32Å; D91-A93 VanDerWaalsContact C-N 3.29Å; D91-A93 PolarHBondContact O-N 3.15Å; D91-V94 PolarHBondContact O-N 2.87Å; D91-N95 WeakPolarHBondContact O-CB 3.42Å; D91-N95 PolarHBondContact O-N 2.82Å; D91-N95 PolarHBondContact O-ND2 3.07Å; D91-N95 VanDerWaalsContact O-ND2 3.11Å
92A98.7Very high98Very high2 Ų253.2 Ų53.22%0.01726%0.262CS..Hα-helixtrans-60-40.6171.300000111.6L26 S74 T76 N88 V89 G96L26-A92 HydrophobicContact CD2-CB 4.21Å; S74-A92 WeakPolarHBondContact CB-O 3.31Å; S74-A92 PolarHBondContact OG-O 3.29Å; T76-A92 HydrophobicContact CG2-CB 3.68Å; N88-A92 VanDerWaalsContact O-CB 3.27Å; N88-A92 WeakPolarHBondContact O-CB 3.35Å; N88-A92 PolarHBondContact O-N 3.2Å; V89-A92 PolarHBondContact O-N 3.16Å; A92-G96 PolarHBondContact O-N 3.02Å
93A98.8Very high98Very high0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-64.2-44.4173.900000111.8L26 V89 Y90 D91 M97 A134 A138L26-A93 HydrophobicContact CD1-CB 3.67Å; V89-A93 PolarHBondContact O-N 3.36Å; Y90-A93 WeakPolarHBondContact O-CB 3.18Å; Y90-A93 PolarHBondContact O-N 2.99Å; D91-A93 VanDerWaalsContact C-N 3.29Å; D91-A93 PolarHBondContact O-N 3.15Å; A93-M97 VanDerWaalsContact O-CB 3.27Å; A93-M97 WeakPolarHBondContact O-CB 3.32Å; A93-M97 WeakPolarHBondContact O-CG 3.29Å; A93-M97 PolarHBondContact O-N 3.16Å; A93-A134 WeakPolarHBondContact CB-O 3.27Å; A93-A138 HydrophobicContact CB-CB 4.47Å
94V98.7Very high98Very high20 Ų2041 Ų4112%0.12121%0.213CC..Hα-helixtrans-58.5-52.3176.1168.70000110.9Y90 D91 G96 M97 L98 G137 H140 V141Y90-V94 HydrophobicContact CD1-CG2 3.94Å; Y90-V94 HydrophobicContact CE1-CG2 3.62Å; Y90-V94 WeakPolarHBondContact O-CG2 3.47Å; Y90-V94 PolarHBondContact O-N 3.05Å; D91-V94 PolarHBondContact O-N 2.87Å; V94-G96 PolarHBondContact O-N 3.21Å; V94-M97 PolarHBondContact O-N 2.86Å; V94-L98 HydrophobicContact CG1-CD1 3.91Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 WeakPolarHBondContact O-CB 3.26Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.15Å; V94-G137 VanDerWaalsContact CG2-O 3.3Å; V94-G137 WeakPolarHBondContact CG2-O 3.1Å; V94-H140 HydrophobicContact CG2-CB 4.45Å; V94-V141 HydrophobicContact CB-CG2 4.11Å; V94-V141 HydrophobicContact CG1-CG2 3.83Å; V94-V141 HydrophobicContact CG2-CG2 4.25Å; V94-V141 WeakPolarHBondContact O-CG2 3.44Å
95N98.7Very high98.1Very high82 Ų8240.4 Ų40.444%0.43921%0.207SC..Hα-helixtrans-64.1-42.8-176.7-67.4-33.3000111.6V58 D91 L98 K99V58-N95 HydrophobicContact CG2-CB 3.65Å; D91-N95 WeakPolarHBondContact O-CB 3.42Å; D91-N95 PolarHBondContact O-N 2.82Å; D91-N95 PolarHBondContact O-ND2 3.07Å; D91-N95 VanDerWaalsContact O-ND2 3.11Å; N95-L98 PolarHBondContact O-N 3.49Å; N95-K99 PolarHBondContact O-N 3.44Å; N95-K99 VanDerWaalsContact O-N 3.1Å
96G98.7Very high98.1Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-61.7-45.9175.800000112.9S74 A92 V94 K99 L100S74-G96 PolarHBondContact OG-N 2.83Å; A92-G96 PolarHBondContact O-N 3.02Å; V94-G96 PolarHBondContact O-N 3.21Å; G96-K99 WeakPolarHBondContact O-CB 3.49Å; G96-K99 PolarHBondContact O-N 2.83Å; G96-L100 WeakPolarHBondContact O-CG 3.49Å; G96-L100 PolarHBondContact O-N 3.16Å
97M98.7Very high98.1Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-68.3-36.7178.6-73.7-69.3-67.400112.8L24 A93 V94 K99 L100 L101 P108 A138 V141 L142L24-M97 HydrophobicContact CD2-CG 3.67Å; L24-M97 HydrophobicContact CD2-SD 3.89Å; A93-M97 VanDerWaalsContact O-CB 3.27Å; A93-M97 WeakPolarHBondContact O-CB 3.32Å; A93-M97 WeakPolarHBondContact O-CG 3.29Å; A93-M97 PolarHBondContact O-N 3.16Å; V94-M97 PolarHBondContact O-N 2.86Å; M97-K99 VanDerWaalsContact C-N 3.3Å; M97-K99 PolarHBondContact O-N 3.24Å; M97-L100 HydrophobicContact CG-CD1 4.46Å; M97-L100 WeakPolarHBondContact O-CB 3.3Å; M97-L100 PolarHBondContact O-N 2.67Å; M97-L100 HydrophobicContact SD-CD1 3.45Å; M97-L100 WeakPolarHBondContact SD-CD1 3.5Å; M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 3.16Å; M97-P108 HydrophobicContact CE-CB 4.33Å; M97-P108 HydrophobicContact CE-CG 3.76Å; M97-P108 HydrophobicContact SD-CB 3.96Å; M97-P108 HydrophobicContact SD-CG 4.05Å; M97-A138 HydrophobicContact CE-CB 4.27Å; M97-A138 HydrophobicContact CG-CB 3.63Å; M97-A138 HydrophobicContact SD-CB 4.15Å; M97-V141 HydrophobicContact CB-CB 3.8Å; M97-V141 HydrophobicContact CB-CG1 3.84Å; M97-V141 HydrophobicContact CB-CG2 3.95Å; M97-L142 HydrophobicContact CE-CD1 3.83Å; M97-L142 HydrophobicContact CE-CD2 3.45Å; M97-L142 VanDerWaalsContact CE-CD2 3.45Å; M97-L142 HydrophobicContact CE-CG 3.57Å
98L98.4Very high98.2Very high94 Ų9439.9 Ų39.949%0.49221%0.207SC..Hα-helixtrans-60.9-42.2172.8-75.1170.1000111V94 N95 K102 V141V94-L98 HydrophobicContact CG1-CD1 3.91Å; V94-L98 HydrophobicContact CG1-CG 4.49Å; V94-L98 WeakPolarHBondContact O-CB 3.26Å; V94-L98 VanDerWaalsContact O-CG 3.31Å; V94-L98 WeakPolarHBondContact O-CG 3.46Å; V94-L98 PolarHBondContact O-N 3.15Å; N95-L98 PolarHBondContact O-N 3.49Å; L98-K102 WeakPolarHBondContact O-CB 3.29Å; L98-K102 PolarHBondContact O-N 3.43Å; L98-V141 HydrophobicContact CD2-CG1 3.82Å; L98-V141 HydrophobicContact CD2-CG2 4.34Å; L98-V141 HydrophobicContact CG-CG1 4.05Å; L98-V141 HydrophobicContact CG-CG2 3.98Å
99K98.5Very high98.2Very high72 Ų7237.9 Ų37.931%0.31320%0.196SC..Hα-helixtrans-64.6-43.3175.8-174.167.3170.6-164.70112V58 V60 I72 N95 G96 M97 K102 I103V58-K99 HydrophobicContact CG1-CB 3.64Å; V58-K99 HydrophobicContact CG1-CG 3.87Å; V60-K99 HydrophobicContact CG2-CD 4.26Å; V60-K99 HydrophobicContact CG2-CG 3.94Å; I72-K99 HydrophobicContact CG2-CB 4.48Å; I72-K99 HydrophobicContact CG2-CG 4.45Å; N95-K99 PolarHBondContact O-N 3.44Å; N95-K99 VanDerWaalsContact O-N 3.1Å; G96-K99 WeakPolarHBondContact O-CB 3.49Å; G96-K99 PolarHBondContact O-N 2.83Å; M97-K99 VanDerWaalsContact C-N 3.3Å; M97-K99 PolarHBondContact O-N 3.24Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 3.16Å; K99-I103 PolarHBondContact O-N 2.84Å
100L97.8Very high98.2Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-55.9-52.7175.2-81.4170.1000112.1A22 L24 I72 G96 M97 K102 I103 G104 C105 P108A22-L100 HydrophobicContact CB-CD2 3.24Å; L24-L100 HydrophobicContact CB-CD1 3.65Å; L24-L100 HydrophobicContact CD2-CD1 4Å; L24-L100 HydrophobicContact CG-CD1 4.33Å; I72-L100 HydrophobicContact CB-CD2 4.39Å; I72-L100 HydrophobicContact CB-CG 4.45Å; I72-L100 HydrophobicContact CD1-CD2 3.33Å; I72-L100 HydrophobicContact CD1-CG 4.21Å; I72-L100 HydrophobicContact CG1-CD2 3.66Å; I72-L100 HydrophobicContact CG1-CG 3.97Å; G96-L100 WeakPolarHBondContact O-CG 3.49Å; G96-L100 PolarHBondContact O-N 3.16Å; M97-L100 HydrophobicContact CG-CD1 4.46Å; M97-L100 WeakPolarHBondContact O-CB 3.3Å; M97-L100 PolarHBondContact O-N 2.67Å; M97-L100 HydrophobicContact SD-CD1 3.45Å; M97-L100 WeakPolarHBondContact SD-CD1 3.5Å; L100-K102 VanDerWaalsContact C-N 3.25Å; L100-K102 PolarHBondContact O-N 3.11Å; L100-I103 WeakPolarHBondContact O-CG1 3.22Å; L100-I103 PolarHBondContact O-N 3.26Å; L100-I103 VanDerWaalsContact O-N 3.14Å; L100-G104 PolarHBondContact O-N 3.38Å; L100-C105 HydrophobicContact CB-CB 3.95Å; L100-C105 HydrophobicContact CD2-CB 3.97Å; L100-C105 WeakPolarHBondContact O-CB 3.26Å; L100-C105 PolarHBondContact O-N 2.8Å; L100-C105 VanDerWaalsContact O-N 3.11Å; L100-P108 HydrophobicContact CD1-CB 3.69Å
101L97.3Very high98.2Very high41 Ų4136.8 Ų36.822%0.21519%0.192CC..Hα-helixtrans-62.6-36179.7-66.8-174.1000111.6M97 I103 G104 V141 L142 K158M97-L101 WeakPolarHBondContact O-CG 3.43Å; M97-L101 PolarHBondContact O-N 3.16Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 3.49Å; L101-G104 PolarHBondContact O-N 2.77Å; L101-V141 HydrophobicContact CD1-CG1 3.62Å; L101-V141 HydrophobicContact CG-CG1 4.41Å; L101-L142 HydrophobicContact CD2-CD2 4.37Å; L101-K158 HydrophobicContact CD1-CB 4.01Å; L101-K158 HydrophobicContact CD1-CD 3.86Å; L101-K158 HydrophobicContact CD1-CG 4.22Å; L101-K158 HydrophobicContact CD2-CB 4.25Å
102K97.5Very high98.2Very high177 Ų17733.2 Ų33.277%0.7717%0.173SC*.Hα-helixtrans-62.4-31177.2-172.3175.3-178.11760112.9L98 K99 L100 G104L98-K102 WeakPolarHBondContact O-CB 3.29Å; L98-K102 PolarHBondContact O-N 3.43Å; K99-K102 WeakPolarHBondContact O-CB 3.37Å; K99-K102 PolarHBondContact O-N 3.16Å; L100-K102 VanDerWaalsContact C-N 3.25Å; L100-K102 PolarHBondContact O-N 3.11Å; K102-G104 VanDerWaalsContact C-N 3.31Å
103I96.7Very high98.1Very high57 Ų5733.1 Ų33.129%0.29217%0.172SC..THydrogen-bonded Turntrans-9110.4175.767.2167.5000113.3V60 I72 K99 L100 L101V60-I103 HydrophobicContact CG1-CD1 4.48Å; V60-I103 HydrophobicContact CG2-CD1 4.49Å; V60-I103 HydrophobicContact CG2-CG2 4.44Å; I72-I103 HydrophobicContact CD1-CD1 3.99Å; I72-I103 HydrophobicContact CG1-CD1 4.48Å; K99-I103 PolarHBondContact O-N 2.84Å; L100-I103 WeakPolarHBondContact O-CG1 3.22Å; L100-I103 PolarHBondContact O-N 3.26Å; L100-I103 VanDerWaalsContact O-N 3.14Å; L101-I103 VanDerWaalsContact C-N 3.26Å; L101-I103 PolarHBondContact O-N 3.49Å
104G96.5Very high97.8Very high46 Ų4635.5 Ų35.547%0.47419%0.189SC..THydrogen-bonded Turntrans81.317.3175.100000115.1L100 L101 K102L100-G104 PolarHBondContact O-N 3.38Å; L101-G104 PolarHBondContact O-N 2.77Å; K102-G104 VanDerWaalsContact C-N 3.31Å
105C97.6Very high97.7Very high1 Ų134.8 Ų34.81%0.00718%0.184CC..  trans-61.4134.7172.4173.10000111D21 A22 L100D21-C105 PolarHBondContact OD1-SG 3.36Å; A22-C105 HydrophobicContact CB-CB 4.4Å; L100-C105 HydrophobicContact CB-CB 3.95Å; L100-C105 HydrophobicContact CD2-CB 3.97Å; L100-C105 WeakPolarHBondContact O-CB 3.26Å; L100-C105 PolarHBondContact O-N 2.8Å; L100-C105 VanDerWaalsContact O-N 3.11Å
106K97.7Very high97.6Very high91 Ų9135.4 Ų35.440%0.39619%0.186SC..SBendtrans-121.8-13.8177.7-69.8-59.3-171.4177.30113.4D21 P157 K158 A159 I160D21-K106 PolarHBondContact OD1-N 3.09Å; D21-K106 PolarHBondContact OD2-N 2.85Å; K106-P157 PolarHBondContact NZ-O 3.19Å; K106-K158 WeakPolarHBondContact CD-O 3.34Å; K106-K158 PolarHBondContact NZ-O 2.84Å; K106-A159 CarbonylContact O-C 3.6Å; K106-A159 WeakPolarHBondContact O-CA 3.48Å; K106-A159 WeakPolarHBondContact O-CB 3.38Å; K106-I160 HydrophobicContact CB-CG1 4.39Å; K106-I160 WeakPolarHBondContact O-CG1 3.33Å; K106-I160 PolarHBondContact O-N 3.26Å
107S98.4Very high97.5Very high8 Ų835.8 Ų35.86%0.05619%0.189CC..SBendtrans-138.570.9-179.5-64.70000110.7S19 Y20 D21 R161S19-S107 WeakPolarHBondContact O-CB 3.24Å; Y20-S107 CarbonylContact C-O 3.59Å; Y20-S107 WeakPolarHBondContact CA-O 3.21Å; Y20-S107 VanDerWaalsContact CB-O 3.29Å; Y20-S107 WeakPolarHBondContact CB-O 3.37Å; Y20-S107 WeakPolarHBondContact CD1-O 3.39Å; D21-S107 PolarHBondContact N-O 3.06Å; D21-S107 WeakPolarHBondContact OD1-CA 3.38Å; D21-S107 PolarHBondContact OD1-N 2.76Å; D21-S107 VanDerWaalsContact OD1-O 3.06Å; D21-S107 PolarHBondContact OD2-N 2.88Å; S107-R161 WeakPolarHBondContact CA-O 3.49Å
108P98.5Very high97.4Very high1 Ų136.7 Ų36.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-70.6143.3-17927.1-35.6000113.1Y20 M97 L100 A159 R161 F162 G163Y20-P108 WeakPolarHBondContact CD1-O 3.07Å; M97-P108 HydrophobicContact CE-CB 4.33Å; M97-P108 HydrophobicContact CE-CG 3.76Å; M97-P108 HydrophobicContact SD-CB 3.96Å; M97-P108 HydrophobicContact SD-CG 4.05Å; L100-P108 HydrophobicContact CD1-CB 3.69Å; P108-A159 HydrophobicContact CG-CB 4.47Å; P108-R161 VanDerWaalsContact CD-O 3.29Å; P108-R161 WeakPolarHBondContact CD-O 3.46Å; P108-F162 HydrophobicContact CG-CD2 4.22Å; P108-G163 PolarHBondContact O-N 3.36Å
109L98.7Very high97.2Very high0 Ų033.6 Ų33.60%018%0.182CC..EExtended strand (participates in β ladder)trans-108.9110.9168.3177.256.8000109.7V12 L15 Y20 A22 V23 L24 G163 M165V12-L109 HydrophobicContact CB-CD1 3.68Å; V12-L109 HydrophobicContact CG1-CD1 3.79Å; V12-L109 HydrophobicContact CG1-CD2 4.23Å; V12-L109 HydrophobicContact CG2-CD1 3.71Å; L15-L109 HydrophobicContact CD1-CD2 4.38Å; L15-L109 WeakPolarHBondContact O-CD2 3.44Å; Y20-L109 HydrophobicContact CD1-CB 4.03Å; Y20-L109 HydrophobicContact CD2-CB 4.33Å; Y20-L109 HydrophobicContact CD2-CD1 4.45Å; Y20-L109 HydrophobicContact CD2-CD2 4.39Å; Y20-L109 HydrophobicContact CG-CB 3.76Å; A22-L109 PolarHBondContact O-N 3.3Å; V23-L109 CarbonylContact C-O 3.52Å; V23-L109 WeakPolarHBondContact CA-O 3.35Å; V23-L109 HydrophobicContact CG2-CD2 4.33Å; L24-L109 PolarHBondContact N-O 3.35Å; L109-G163 CarbonylContact C-O 3.57Å; L109-M165 HydrophobicContact CD1-CG 3.91Å; L109-M165 HydrophobicContact CD2-CG 4.44Å; L109-M165 HydrophobicContact CD2-SD 4.41Å; L109-M165 HydrophobicContact CG-CG 4.37Å
110L98.8Very high96.9Very high1 Ų140.2 Ų40.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-84.6129.6175.7172.367.5000111L24 L26 A134 I135 A138 F162 G163 V164 M165L24-L110 HydrophobicContact CD2-CD1 3.95Å; L24-L110 HydrophobicContact CG-CD1 4.07Å; L26-L110 HydrophobicContact CD1-CD1 3.72Å; L26-L110 HydrophobicContact CD2-CD1 4.4Å; L26-L110 HydrophobicContact CG-CD1 3.74Å; L110-A134 HydrophobicContact CD2-CB 4.02Å; L110-I135 HydrophobicContact CD2-CG1 4.12Å; L110-A138 HydrophobicContact CD2-CB 4.45Å; L110-F162 HydrophobicContact CB-CE2 3.66Å; L110-F162 HydrophobicContact CB-CZ 4.13Å; L110-F162 HydrophobicContact CD2-CE2 4.29Å; L110-F162 HydrophobicContact CD2-CZ 3.89Å; L110-G163 PolarHBondContact N-O 3.4Å; L110-V164 HydrophobicContact CB-CG2 4.49Å; L110-V164 HydrophobicContact CD2-CG1 4.38Å; L110-V164 WeakPolarHBondContact O-CA 3.23Å; L110-M165 PolarHBondContact O-N 3.44Å
111C98.5Very high96.7Very high1 Ų146.6 Ų46.61%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-128.8129.5177.3-58.10000109L24 L25 L26 L37 M165L24-C111 PolarHBondContact O-N 3.33Å; L25-C111 WeakPolarHBondContact CA-O 3.39Å; L25-C111 HydrophobicContact CD1-CB 4.06Å; L26-C111 PolarHBondContact N-O 2.97Å; L37-C111 HydrophobicContact CD1-CB 3.91Å; L37-C111 HydrophobicContact CD2-CB 3.75Å; C111-M165 PolarHBondContact SG-SD 2.74Å
112C98Very high96.5Very high4 Ų449.6 Ų49.63%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-104.2126.2173-690000109.2L37 F115 R127 L131 A134L37-C112 WeakPolarHBondContact CD1-O 3.09Å; C112-F115 HydrophobicContact CB-CE2 3.69Å; C112-F115 HydrophobicContact CB-CZ 3.78Å; C112-R127 PolarHBondContact O-NH2 2.96Å; C112-L131 HydrophobicContact CB-CD1 4.14Å; C112-A134 VanDerWaalsContact SG-CB 3.53Å
113G96.7Very high96.3Very high0 Ų045.6 Ų45.60%024%0.24CC..  trans-70.4-167.1174.700000112.6L26 N27 F115 R127L26-G113 PolarHBondContact O-N 2.98Å; N27-G113 VanDerWaalsContact OD1-C 3.32Å; N27-G113 VanDerWaalsContact OD1-CA 3.3Å; N27-G113 WeakPolarHBondContact OD1-CA 3.19Å; G113-F115 VanDerWaalsContact C-N 3.29Å; G113-F115 PolarHBondContact O-N 3.26Å; G113-R127 PolarHBondContact O-NH1 2.86Å; G113-R127 PolarHBondContact O-NH2 3.11Å
114S94.5Very high96.2Very high49 Ų4944 Ų4434%0.34323%0.231SC..  trans-74.2-21.4-173-49.10000113.1N27 H32 P34N27-S114 PolarHBondContact OD1-N 2.88Å; N27-S114 VanDerWaalsContact OD1-N 3.15Å; H32-S114 WeakPolarHBondContact O-CB 3.19Å; H32-S114 PolarHBondContact O-OG 3.17Å; P34-S114 WeakPolarHBondContact CD-OG 3.45Å
115F96.4Very high96.2Very high6 Ų642.7 Ų42.73%0.02621%0.214CC..  trans52.153.9-172.5-57-52.5000111.7L26 N27 D28 T76 L79 V89 C112 G113 S117 A118 L130L26-F115 HydrophobicContact CB-CE1 4.41Å; L26-F115 HydrophobicContact CB-CZ 4.3Å; N27-F115 PolarHBondContact OD1-N 3.04Å; N27-F115 VanDerWaalsContact OD1-N 3.1Å; D28-F115 VanDerWaalsContact OD1-CA 3.23Å; D28-F115 WeakPolarHBondContact OD1-CA 3.39Å; D28-F115 WeakPolarHBondContact OD2-CA 3.36Å; T76-F115 HydrophobicContact CG2-CD1 4.32Å; T76-F115 HydrophobicContact CG2-CE1 3.66Å; L79-F115 HydrophobicContact CD1-CB 3.87Å; L79-F115 HydrophobicContact CD1-CD1 4.04Å; L79-F115 HydrophobicContact CD1-CG 4.1Å; V89-F115 HydrophobicContact CG1-CZ 4.28Å; C112-F115 HydrophobicContact CB-CE2 3.69Å; C112-F115 HydrophobicContact CB-CZ 3.78Å; G113-F115 VanDerWaalsContact C-N 3.29Å; G113-F115 PolarHBondContact O-N 3.26Å; F115-S117 PolarHBondContact O-N 3.19Å; F115-S117 VanDerWaalsContact O-N 3.13Å; F115-A118 HydrophobicContact CB-CB 4.13Å; F115-A118 WeakPolarHBondContact O-CB 3.45Å; F115-A118 PolarHBondContact O-N 3.01Å; F115-L130 HydrophobicContact CB-CD1 4.34Å; F115-L130 HydrophobicContact CD2-CB 4.25Å; F115-L130 HydrophobicContact CD2-CD1 3.66Å; F115-L130 HydrophobicContact CD2-CG 4.48Å; F115-L130 HydrophobicContact CE2-CB 4.09Å; F115-L130 HydrophobicContact CE2-CD1 4.34Å; F115-L130 HydrophobicContact CG-CD1 4.32Å
116I96.1Very high96.1Very high94 Ų9446.7 Ų46.748%0.48223%0.233SC..THydrogen-bonded Turntrans-63.2-24.4-167.1-165.560.5000113.6D28 D29 H32D28-I116 PolarHBondContact OD1-N 3.15Å; D28-I116 VanDerWaalsContact OD1-N 3.14Å; D28-I116 PolarHBondContact OD2-N 3.36Å; D29-I116 HydrophobicContact CB-CG2 4.39Å; H32-I116 HydrophobicContact CB-CB 4.37Å
117S96.5Very high96Very high8 Ų845.3 Ų45.36%0.05623%0.225CC..THydrogen-bonded Turntrans-82.3-12.1175.6730000113.6D28 L79 N80 F115 P119D28-S117 WeakPolarHBondContact OD2-CA 3.22Å; D28-S117 WeakPolarHBondContact OD2-CB 3.29Å; D28-S117 PolarHBondContact OD2-N 2.85Å; D28-S117 PolarHBondContact OD2-OG 3.42Å; L79-S117 PolarHBondContact N-OG 3.35Å; N80-S117 VanDerWaalsContact CB-O 3.3Å; N80-S117 WeakPolarHBondContact CB-O 3.46Å; F115-S117 PolarHBondContact O-N 3.19Å; F115-S117 VanDerWaalsContact O-N 3.13Å; S117-P119 VanDerWaalsContact O-CD 3.29Å; S117-P119 WeakPolarHBondContact O-CD 3.45Å
118A96.5Very high95.8Very high19 Ų1948.5 Ų48.516%0.15724%0.241CC..  trans-61.1117.9-178.800000110.9L79 F115 C125L79-A118 HydrophobicContact CB-CB 4.32Å; L79-A118 HydrophobicContact CD1-CB 4Å; F115-A118 HydrophobicContact CB-CB 4.13Å; F115-A118 WeakPolarHBondContact O-CB 3.45Å; F115-A118 PolarHBondContact O-N 3.01Å; A118-C125 HydrophobicContact CB-CB 3.99Å
119P94.5Very high95.6Very high29 Ų2948.6 Ų48.619%0.18824%0.242CC..  trans-69.5133.4-17928.7-36.6000111.1L79 S117 D121 F122 C125L79-P119 VanDerWaalsContact O-CD 3.25Å; L79-P119 WeakPolarHBondContact O-CD 3.38Å; S117-P119 VanDerWaalsContact O-CD 3.29Å; S117-P119 WeakPolarHBondContact O-CD 3.45Å; P119-D121 VanDerWaalsContact C-N 3.31Å; P119-D121 WeakPolarHBondContact CB-OD1 3.35Å; P119-D121 PolarHBondContact O-N 3.4Å; P119-F122 HydrophobicContact CB-CD2 3.92Å; P119-F122 HydrophobicContact CB-CE2 4.49Å; P119-F122 HydrophobicContact CG-CB 4.42Å; P119-F122 HydrophobicContact CG-CD2 3.63Å; P119-F122 HydrophobicContact CG-CE2 4.3Å; P119-F122 HydrophobicContact CG-CG 4.33Å; P119-C125 VanDerWaalsContact CD-SG 3.5Å; P119-C125 WeakPolarHBondContact O-CB 3.27Å; P119-C125 PolarHBondContact O-SG 2.72Å; P119-C125 VanDerWaalsContact O-SG 3.33Å
120K92.4Very high95.6Very high211 Ų21148.8 Ų48.892%0.91724%0.243SC*.THydrogen-bonded Turntrans-76.9-15.2-172-64.6-175.3-179.3179.30114.4F122K120-F122 VanDerWaalsContact C-N 3.35Å
121D92.5Very high95.5Very high134 Ų13448.8 Ų48.872%0.71724%0.243SC*.THydrogen-bonded Turntrans-83.9-10.3179.855.7-39.3000113.2P119P119-D121 VanDerWaalsContact C-N 3.31Å; P119-D121 WeakPolarHBondContact CB-OD1 3.35Å; P119-D121 PolarHBondContact O-N 3.4Å
122F93Very high95.5Very high104 Ų10448.9 Ų48.946%0.45624%0.243SC..  trans-100.1124176.3-73.6-92.8000111.7P119 K120 W124 C125P119-F122 HydrophobicContact CB-CD2 3.92Å; P119-F122 HydrophobicContact CB-CE2 4.49Å; P119-F122 HydrophobicContact CG-CB 4.42Å; P119-F122 HydrophobicContact CG-CD2 3.63Å; P119-F122 HydrophobicContact CG-CE2 4.3Å; P119-F122 HydrophobicContact CG-CG 4.33Å; K120-F122 VanDerWaalsContact C-N 3.35Å; F122-W124 HydrophobicContact CB-CG 4.37Å; F122-W124 AromaticContact CD1-CD1 3.93Å; F122-W124 AromaticContact CD1-NE1 3.52Å; F122-W124 AromaticContact CG-NE1 3.69Å; F122-W124 PolarHBondContact O-N 2.98Å; F122-C125 VanDerWaalsContact O-CB 3.28Å; F122-C125 WeakPolarHBondContact O-CB 3.37Å; F122-C125 PolarHBondContact O-N 2.67Å
123Q94.3Very high95.5Very high93 Ų9348.7 Ų48.744%0.43524%0.242SC..G310 helixtrans-60.6-31.2-179.7-174.2-179.67.800113C125 E126 L419Q123-C125 PolarHBondContact O-N 3.41Å; Q123-E126 WeakPolarHBondContact O-CB 3.49Å; Q123-E126 WeakPolarHBondContact O-CG 3.29Å; Q123-E126 PolarHBondContact O-N 2.73Å; Q123-L419 HydrophobicContact CB-CD2 3.84Å; Q123-L419 HydrophobicContact CG-CD1 4.22Å; Q123-L419 HydrophobicContact CG-CD2 3.79Å
124W95.1Very high95.6Very high25 Ų2548.7 Ų48.710%0.09524%0.242CC..G310 helixtrans-65.4-20.1177.768.1-101.7000112.9L79 A84 I86 F122 E126 L130 L419L79-W124 HydrophobicContact CB-CH2 4.02Å; L79-W124 HydrophobicContact CB-CZ3 4.48Å; L79-W124 HydrophobicContact CD2-CH2 4.36Å; L79-W124 HydrophobicContact CD2-CZ3 4.33Å; L79-W124 WeakPolarHBondContact O-CH2 3.06Å; A84-W124 HydrophobicContact CB-CH2 4.29Å; I86-W124 HydrophobicContact CB-CB 4.19Å; I86-W124 HydrophobicContact CB-CE3 4.27Å; I86-W124 HydrophobicContact CD1-CE3 4.34Å; F122-W124 HydrophobicContact CB-CG 4.37Å; F122-W124 AromaticContact CD1-CD1 3.93Å; F122-W124 AromaticContact CD1-NE1 3.52Å; F122-W124 AromaticContact CG-NE1 3.69Å; F122-W124 PolarHBondContact O-N 2.98Å; W124-E126 VanDerWaalsContact C-N 3.3Å; W124-L130 HydrophobicContact CE3-CD2 4.23Å; W124-L130 HydrophobicContact CZ3-CD2 4.32Å; W124-L130 WeakPolarHBondContact O-CD2 3.47Å; W124-L419 HydrophobicContact CB-CD2 3.84Å
125C96Very high95.8Very high17 Ų1746.3 Ų46.312%0.11523%0.226CC..G310 helixtrans-82.4-1.6174.6-63.20000113.9A118 P119 F122 Q123 L130A118-C125 HydrophobicContact CB-CB 3.99Å; P119-C125 VanDerWaalsContact CD-SG 3.5Å; P119-C125 WeakPolarHBondContact O-CB 3.27Å; P119-C125 PolarHBondContact O-SG 2.72Å; P119-C125 VanDerWaalsContact O-SG 3.33Å; F122-C125 VanDerWaalsContact O-CB 3.28Å; F122-C125 WeakPolarHBondContact O-CB 3.37Å; F122-C125 PolarHBondContact O-N 2.67Å; Q123-C125 PolarHBondContact O-N 3.41Å; C125-L130 VanDerWaalsContact O-CD1 3.29Å; C125-L130 WeakPolarHBondContact O-CD1 3.48Å
126E95Very high96Very high86 Ų8646 Ų4640%0.40222%0.224SC..SBendtrans-62.6139.7174.4-71.5-179.1-173.400110.8Q123 W124 N128 C129 L130Q123-E126 WeakPolarHBondContact O-CB 3.49Å; Q123-E126 WeakPolarHBondContact O-CG 3.29Å; Q123-E126 PolarHBondContact O-N 2.73Å; W124-E126 VanDerWaalsContact C-N 3.3Å; E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 3.31Å; E126-N128 VanDerWaalsContact O-N 3.16Å; E126-C129 WeakPolarHBondContact O-CA 3.49Å; E126-C129 WeakPolarHBondContact O-CB 3.36Å; E126-C129 PolarHBondContact O-N 3.1Å; E126-L130 PolarHBondContact O-N 3.38Å
127R94.8Very high96.1Very high62 Ų6241.6 Ų41.623%0.23420%0.201CC..Hα-helixtrans-54.3-43.3-169.8-174.557.1175.6179.71.5113.6C112 G113 L130 L131 E166C112-R127 PolarHBondContact O-NH2 2.96Å; G113-R127 PolarHBondContact O-NH1 2.86Å; G113-R127 PolarHBondContact O-NH2 3.11Å; R127-L130 PolarHBondContact O-N 3.05Å; R127-L131 WeakPolarHBondContact O-CB 3.33Å; R127-L131 PolarHBondContact O-N 3.23Å; R127-E166 WeakPolarHBondContact CG-OE1 3.18Å; R127-E166 IonicContact CZ-OE1 3.8Å; R127-E166 IonicContact CZ-OE2 2.7Å; R127-E166 IonicContact NE-OE1 3.28Å; R127-E166 PolarHBondContact NE-OE1 3.46Å; R127-E166 IonicContact NE-OE2 2.72Å; R127-E166 PolarHBondContact NE-OE2 3.41Å; R127-E166 IonicContact NH2-OE1 3.94Å; R127-E166 IonicContact NH2-OE2 2.77Å; R127-E166 PolarHBondContact NH2-OE2 3.41Å
128N94.4Very high96.2Very high75 Ų7541.2 Ų41.240%0.40120%0.199SC..Hα-helixtrans-69.3-31.9179.1-76.1-9.5000112.8E126 L132 F522E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 3.31Å; E126-N128 VanDerWaalsContact O-N 3.16Å; N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.2Å; N128-F522 HydrophobicContact CB-CE2 4.19Å; N128-F522 HydrophobicContact CB-CZ 4.19Å
129C95.9Very high96.3Very high2 Ų240.4 Ų40.41%0.01419%0.192CC..Hα-helixtrans-65.5-48.8173-70.70000110.2E126 L131 L132 N133E126-C129 WeakPolarHBondContact O-CA 3.49Å; E126-C129 WeakPolarHBondContact O-CB 3.36Å; E126-C129 PolarHBondContact O-N 3.1Å; C129-L131 PolarHBondContact O-N 3.37Å; C129-L132 PolarHBondContact O-N 3.33Å; C129-N133 PolarHBondContact O-N 3Å; C129-N133 PolarHBondContact O-ND2 3.3Å
130L97.4Very high96.5Very high4 Ų440.5 Ų40.52%0.02119%0.19CC..Hα-helixtrans-59.7-48.2177.8-60170.7000111.3I86 V89 F115 W124 C125 E126 R127 N133 A134I86-L130 HydrophobicContact CD1-CD2 3.9Å; V89-L130 WeakPolarHBondContact CG1-O 3.45Å; V89-L130 HydrophobicContact CG2-CD2 3.66Å; F115-L130 HydrophobicContact CB-CD1 4.34Å; F115-L130 HydrophobicContact CD2-CB 4.25Å; F115-L130 HydrophobicContact CD2-CD1 3.66Å; F115-L130 HydrophobicContact CD2-CG 4.48Å; F115-L130 HydrophobicContact CE2-CB 4.09Å; F115-L130 HydrophobicContact CE2-CD1 4.34Å; F115-L130 HydrophobicContact CG-CD1 4.32Å; W124-L130 HydrophobicContact CE3-CD2 4.23Å; W124-L130 HydrophobicContact CZ3-CD2 4.32Å; W124-L130 WeakPolarHBondContact O-CD2 3.47Å; C125-L130 VanDerWaalsContact O-CD1 3.29Å; C125-L130 WeakPolarHBondContact O-CD1 3.48Å; E126-L130 PolarHBondContact O-N 3.38Å; R127-L130 PolarHBondContact O-N 3.05Å; L130-N133 PolarHBondContact O-N 3.16Å; L130-A134 PolarHBondContact O-N 3.45Å
131L97.6Very high96.8Very high2 Ų230.8 Ų30.81%0.0115%0.148CC..Hα-helixtrans-65.2-42.9-178.5-166.360.2000111.9C112 R127 C129 N133 A134 I135 V164 E166 A167 L171C112-L131 HydrophobicContact CB-CD1 4.14Å; R127-L131 WeakPolarHBondContact O-CB 3.33Å; R127-L131 PolarHBondContact O-N 3.23Å; C129-L131 PolarHBondContact O-N 3.37Å; L131-N133 PolarHBondContact O-N 3.24Å; L131-A134 PolarHBondContact O-N 3.19Å; L131-I135 HydrophobicContact CG-CD1 4.31Å; L131-I135 WeakPolarHBondContact O-CD1 3.33Å; L131-I135 WeakPolarHBondContact O-CG1 3.17Å; L131-I135 PolarHBondContact O-N 3.38Å; L131-I135 VanDerWaalsContact O-N 3.09Å; L131-V164 HydrophobicContact CD1-CG1 4.28Å; L131-E166 HydrophobicContact CD2-CB 4.43Å; L131-E166 HydrophobicContact CD2-CG 4.48Å; L131-A167 HydrophobicContact CD2-CB 3.94Å; L131-A167 HydrophobicContact CG-CB 4.45Å; L131-L171 HydrophobicContact CB-CD2 4.06Å; L131-L171 HydrophobicContact CD2-CD2 3.44Å; L131-L171 VanDerWaalsContact CD2-CD2 3.44Å; L131-L171 HydrophobicContact CG-CD2 3.69Å
132L98.3Very high97Very high2 Ų224.8 Ų24.81%0.0112%0.116CC..Hα-helixtrans-59.9-45.8175.2-178.956.9000111.6N128 C129 I135 L136 L171 I174 A175 I420 L517 F522N128-L132 WeakPolarHBondContact O-CB 3.48Å; N128-L132 PolarHBondContact O-N 3.2Å; C129-L132 PolarHBondContact O-N 3.33Å; L132-I135 PolarHBondContact O-N 3.04Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CG-CD1 3.87Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.09Å; L132-L136 PolarHBondContact O-N 3.25Å; L132-L171 HydrophobicContact CB-CD1 3.99Å; L132-L171 HydrophobicContact CD1-CD1 4.06Å; L132-L171 HydrophobicContact CG-CD1 4.5Å; L132-I174 HydrophobicContact CD1-CG2 4.31Å; L132-A175 HydrophobicContact CD1-CB 3.84Å; L132-I420 HydrophobicContact CD2-CD1 3.96Å; L132-L517 HydrophobicContact CD2-CD1 3.94Å; L132-F522 HydrophobicContact CB-CZ 4.27Å; L132-F522 HydrophobicContact CD2-CE1 4.29Å; L132-F522 HydrophobicContact CD2-CE2 3.98Å; L132-F522 HydrophobicContact CD2-CZ 3.6Å
133N98.7Very high97.3Very high0 Ų020.3 Ų20.30%010%0.096CC..Hα-helixtrans-68.4-35.8-178.5-79.8-91.3000112.4I86 C129 L130 L131 I135 L136 G137 L419 I420 S421I86-N133 HydrophobicContact CD1-CB 3.87Å; I86-N133 HydrophobicContact CG1-CB 3.85Å; I86-N133 VanDerWaalsContact CG1-ND2 3.27Å; I86-N133 WeakPolarHBondContact CG1-ND2 3.43Å; I86-N133 WeakPolarHBondContact CG1-OD1 3.45Å; C129-N133 PolarHBondContact O-N 3Å; C129-N133 PolarHBondContact O-ND2 3.3Å; L130-N133 PolarHBondContact O-N 3.16Å; L131-N133 PolarHBondContact O-N 3.24Å; N133-I135 VanDerWaalsContact C-N 3.34Å; N133-I135 PolarHBondContact O-N 3.13Å; N133-L136 PolarHBondContact O-N 2.89Å; N133-G137 PolarHBondContact O-N 2.96Å; N133-L419 PolarHBondContact ND2-O 3.07Å; N133-I420 VanDerWaalsContact OD1-CA 3.27Å; N133-I420 WeakPolarHBondContact OD1-CA 3.33Å; N133-I420 PolarHBondContact OD1-O 3.09Å; N133-S421 WeakPolarHBondContact OD1-CB 3.46Å; N133-S421 PolarHBondContact OD1-N 3.44Å; N133-S421 PolarHBondContact OD1-OG 3.05Å
134A98.8Very high97.4Very high0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-59.1-45.5170.800000111.6L26 V89 A93 L110 C112 L130 L131 G137 A138L26-A134 HydrophobicContact CD1-CB 3.74Å; V89-A134 HydrophobicContact CG1-CB 3.79Å; A93-A134 WeakPolarHBondContact CB-O 3.27Å; L110-A134 HydrophobicContact CD2-CB 4.02Å; C112-A134 VanDerWaalsContact SG-CB 3.53Å; L130-A134 PolarHBondContact O-N 3.45Å; L131-A134 PolarHBondContact O-N 3.19Å; A134-G137 PolarHBondContact O-N 3.4Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.16Å
135I98.8Very high97.5Very high0 Ų017 Ų170%09%0.086CC..Hα-helixtrans-64.4-45.3178-61.5160.2000110.7L110 L131 L132 N133 G137 A138 Y139 F162 V164 A167 L171 L172 A175L110-I135 HydrophobicContact CD2-CG1 4.12Å; L131-I135 HydrophobicContact CG-CD1 4.31Å; L131-I135 WeakPolarHBondContact O-CD1 3.33Å; L131-I135 WeakPolarHBondContact O-CG1 3.17Å; L131-I135 PolarHBondContact O-N 3.38Å; L131-I135 VanDerWaalsContact O-N 3.09Å; L132-I135 PolarHBondContact O-N 3.04Å; N133-I135 VanDerWaalsContact C-N 3.34Å; N133-I135 PolarHBondContact O-N 3.13Å; I135-G137 PolarHBondContact O-N 3.47Å; I135-A138 PolarHBondContact O-N 3.46Å; I135-Y139 HydrophobicContact CG2-CD2 3.75Å; I135-Y139 HydrophobicContact CG2-CE2 3.72Å; I135-Y139 WeakPolarHBondContact O-CB 3.35Å; I135-Y139 PolarHBondContact O-N 3.42Å; I135-F162 HydrophobicContact CG2-CE1 3.94Å; I135-F162 HydrophobicContact CG2-CZ 4.47Å; I135-V164 HydrophobicContact CD1-CG1 4.08Å; I135-V164 HydrophobicContact CG1-CG1 3.95Å; I135-V164 HydrophobicContact CG1-CG2 4.07Å; I135-A167 HydrophobicContact CD1-CB 4.29Å; I135-L171 HydrophobicContact CD1-CD2 4.14Å; I135-L171 HydrophobicContact CD1-CG 4.18Å; I135-L172 HydrophobicContact CD1-CD2 3.93Å; I135-A175 HydrophobicContact CB-CB 4.3Å; I135-A175 HydrophobicContact CG2-CB 3.55Å
136L98.8Very high97.5Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-67.9-33.4-179.7-68.3175.6000113.3Y90 L132 N133 H140 I178 R182 I420 L509Y90-L136 HydrophobicContact CD2-CB 4.36Å; Y90-L136 HydrophobicContact CE2-CB 4.1Å; L132-L136 HydrophobicContact CD1-CD1 4.04Å; L132-L136 HydrophobicContact CD1-CG 4.06Å; L132-L136 HydrophobicContact CG-CD1 3.87Å; L132-L136 HydrophobicContact CG-CG 4.32Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.09Å; L132-L136 PolarHBondContact O-N 3.25Å; N133-L136 PolarHBondContact O-N 2.89Å; L136-H140 PolarHBondContact O-N 3.39Å; L136-I178 HydrophobicContact CD2-CB 4.17Å; L136-I178 HydrophobicContact CD2-CG2 3.52Å; L136-R182 PolarHBondContact O-NH1 3.23Å; L136-I420 HydrophobicContact CD1-CD1 4.06Å; L136-I420 HydrophobicContact CD1-CG1 3.88Å; L136-L509 HydrophobicContact CD1-CD1 4.3Å; L136-L509 HydrophobicContact CD1-CD2 3.83Å; L136-L509 HydrophobicContact CD2-CD2 4.44Å
137G98.7Very high97.6Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-67.8-42.3172.100000111.4Y90 V94 N133 A134 I135 H140Y90-G137 VanDerWaalsContact CE2-CA 3.43Å; V94-G137 VanDerWaalsContact CG2-O 3.3Å; V94-G137 WeakPolarHBondContact CG2-O 3.1Å; N133-G137 PolarHBondContact O-N 2.96Å; A134-G137 PolarHBondContact O-N 3.4Å; I135-G137 PolarHBondContact O-N 3.47Å; G137-H140 WeakPolarHBondContact O-CB 3.15Å; G137-H140 PolarHBondContact O-N 3.14Å
138A98.8Very high97.7Very high0 Ų013.5 Ų13.50%07%0.073CC..Hα-helixtrans-63.2-45.1174.600000112.3A93 M97 L110 A134 I135 H140 V141 L142 F162A93-A138 HydrophobicContact CB-CB 4.47Å; M97-A138 HydrophobicContact CE-CB 4.27Å; M97-A138 HydrophobicContact CG-CB 3.63Å; M97-A138 HydrophobicContact SD-CB 4.15Å; L110-A138 HydrophobicContact CD2-CB 4.45Å; A134-A138 WeakPolarHBondContact O-CB 3.49Å; A134-A138 PolarHBondContact O-N 3.16Å; I135-A138 PolarHBondContact O-N 3.46Å; A138-H140 VanDerWaalsContact C-N 3.31Å; A138-H140 PolarHBondContact O-N 2.81Å; A138-V141 WeakPolarHBondContact O-CB 3.4Å; A138-V141 PolarHBondContact O-N 3.48Å; A138-V141 VanDerWaalsContact O-N 3.12Å; A138-L142 PolarHBondContact O-N 3.45Å; A138-F162 HydrophobicContact CB-CE1 4.11Å; A138-F162 HydrophobicContact CB-CE2 4.16Å; A138-F162 HydrophobicContact CB-CZ 3.51Å
139Y98.6Very high97.8Very high2 Ų211.3 Ų11.31%0.0086%0.059CC..Hα-helixtrans-61.6-36.1176.6-89.8-42.6000113.9V6 T7 V9 I135 V141 L142 Y143 F162 A175 N176 E179V6-Y139 HydrophobicContact CG1-CD1 4.24Å; V6-Y139 HydrophobicContact CG1-CE1 3.66Å; T7-Y139 WeakPolarHBondContact O-CE1 3.31Å; V9-Y139 WeakPolarHBondContact CB-OH 3.48Å; V9-Y139 WeakPolarHBondContact CG1-OH 3.29Å; I135-Y139 HydrophobicContact CG2-CD2 3.75Å; I135-Y139 HydrophobicContact CG2-CE2 3.72Å; I135-Y139 WeakPolarHBondContact O-CB 3.35Å; I135-Y139 PolarHBondContact O-N 3.42Å; Y139-V141 PolarHBondContact O-N 3.32Å; Y139-V141 VanDerWaalsContact O-N 3.16Å; Y139-L142 HydrophobicContact CD1-CD1 4.18Å; Y139-L142 PolarHBondContact O-N 3.12Å; Y139-Y143 PolarHBondContact O-N 2.85Å; Y139-F162 HydrophobicContact CD1-CD1 4.13Å; Y139-F162 HydrophobicContact CD1-CE1 4.27Å; Y139-F162 HydrophobicContact CD2-CE1 4.45Å; Y139-F162 AromaticContact CE1-CD1 3.73Å; Y139-F162 HydrophobicContact CE1-CD1 3.73Å; Y139-F162 HydrophobicContact CE1-CE1 4.2Å; Y139-F162 HydrophobicContact CE2-CE1 4.4Å; Y139-F162 HydrophobicContact CG-CE1 4.39Å; Y139-F162 AromaticContact CZ-CD1 3.99Å; Y139-A175 HydrophobicContact CE2-CB 4.25Å; Y139-N176 PolarHBondContact OH-OD1 3.34Å; Y139-E179 VanDerWaalsContact CB-CD 3.49Å; Y139-E179 WeakPolarHBondContact CB-OE2 3.35Å; Y139-E179 HydrophobicContact CD1-CB 4.45Å; Y139-E179 HydrophobicContact CD1-CG 3.86Å; Y139-E179 HydrophobicContact CD2-CB 3.77Å; Y139-E179 HydrophobicContact CD2-CG 3.97Å; Y139-E179 HydrophobicContact CE1-CG 4.42Å; Y139-E179 HydrophobicContact CE2-CB 4.05Å; Y139-E179 HydrophobicContact CE2-CG 4.49Å; Y139-E179 HydrophobicContact CG-CB 3.98Å; Y139-E179 HydrophobicContact CG-CG 3.61Å
140H98.3Very high97.8Very high32 Ų3216.5 Ų16.515%0.1488%0.083CC..Hα-helixtrans-53-38.5174.1-178.7107.2000112Y90 V94 L136 G137 A138 R186Y90-H140 WeakPolarHBondContact OH-CB 2.97Å; Y90-H140 VanDerWaalsContact OH-CG 3.24Å; Y90-H140 PolarHBondContact OH-ND1 2.93Å; V94-H140 HydrophobicContact CG2-CB 4.45Å; L136-H140 PolarHBondContact O-N 3.39Å; G137-H140 WeakPolarHBondContact O-CB 3.15Å; G137-H140 PolarHBondContact O-N 3.14Å; A138-H140 VanDerWaalsContact C-N 3.31Å; A138-H140 PolarHBondContact O-N 2.81Å; H140-R186 PolarHBondContact ND1-NH2 3Å
141V98.3Very high97.8Very high6 Ų622 Ų224%0.03611%0.111CC..Hα-helixtrans-75.2-34.2178.5177.40000112.1V94 M97 L98 L101 A138 Y139 Y143 K158V94-V141 HydrophobicContact CB-CG2 4.11Å; V94-V141 HydrophobicContact CG1-CG2 3.83Å; V94-V141 HydrophobicContact CG2-CG2 4.25Å; V94-V141 WeakPolarHBondContact O-CG2 3.44Å; M97-V141 HydrophobicContact CB-CB 3.8Å; M97-V141 HydrophobicContact CB-CG1 3.84Å; M97-V141 HydrophobicContact CB-CG2 3.95Å; L98-V141 HydrophobicContact CD2-CG1 3.82Å; L98-V141 HydrophobicContact CD2-CG2 4.34Å; L98-V141 HydrophobicContact CG-CG1 4.05Å; L98-V141 HydrophobicContact CG-CG2 3.98Å; L101-V141 HydrophobicContact CD1-CG1 3.62Å; L101-V141 HydrophobicContact CG-CG1 4.41Å; A138-V141 WeakPolarHBondContact O-CB 3.4Å; A138-V141 PolarHBondContact O-N 3.48Å; A138-V141 VanDerWaalsContact O-N 3.12Å; Y139-V141 PolarHBondContact O-N 3.32Å; Y139-V141 VanDerWaalsContact O-N 3.16Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; V141-K158 WeakPolarHBondContact O-CD 3.48Å; V141-K158 PolarHBondContact O-NZ 3.06Å
142L98.1Very high97.7Very high9 Ų925.2 Ų25.25%0.04713%0.127CC..Hα-helixtrans-73.6-22.2-179.3-65.2-177.8000113.7T7 M97 L101 A138 Y139 T144 K158 A159 F162T7-L142 HydrophobicContact CG2-CD1 4.28Å; M97-L142 HydrophobicContact CE-CD1 3.83Å; M97-L142 HydrophobicContact CE-CD2 3.45Å; M97-L142 VanDerWaalsContact CE-CD2 3.45Å; M97-L142 HydrophobicContact CE-CG 3.57Å; L101-L142 HydrophobicContact CD2-CD2 4.37Å; A138-L142 PolarHBondContact O-N 3.45Å; Y139-L142 HydrophobicContact CD1-CD1 4.18Å; Y139-L142 PolarHBondContact O-N 3.12Å; L142-T144 PolarHBondContact O-N 2.93Å; L142-K158 HydrophobicContact CD2-CB 4.39Å; L142-A159 HydrophobicContact CD2-CB 3.58Å; L142-F162 HydrophobicContact CD1-CB 4.32Å; L142-F162 HydrophobicContact CD1-CD1 4.17Å; L142-F162 HydrophobicContact CD1-CG 4.19Å
143Y97.8Very high97.6Very high10 Ų1029.1 Ų29.14%0.03915%0.153CC..  trans-54.3133.4172.3171.5-99.7000111.5Y139 V141 P145 K158 T183 R186 D187 T502Y139-Y143 PolarHBondContact O-N 2.85Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; Y143-P145 HydrophobicContact CE1-CB 4.29Å; Y143-P145 HydrophobicContact CE1-CG 4.02Å; Y143-K158 WeakPolarHBondContact O-CE 3.26Å; Y143-K158 PolarHBondContact O-NZ 2.84Å; Y143-T183 HydrophobicContact CD2-CG2 4.05Å; Y143-T183 HydrophobicContact CE2-CG2 4.02Å; Y143-R186 HydrophobicContact CD2-CB 4.29Å; Y143-R186 HydrophobicContact CE1-CB 3.95Å; Y143-R186 HydrophobicContact CE1-CG 4.45Å; Y143-R186 HydrophobicContact CE2-CB 3.58Å; Y143-R186 HydrophobicContact CE2-CG 4.42Å; Y143-R186 WeakPolarHBondContact OH-CB 3.15Å; Y143-R186 PolarHBondContact OH-O 3.44Å; Y143-D187 WeakPolarHBondContact CE2-OD1 3.45Å; Y143-D187 PolarHBondContact OH-N 2.89Å; Y143-D187 PolarHBondContact OH-OD1 3.39Å; Y143-D187 VanDerWaalsContact OH-OD1 3.12Å; Y143-T502 HydrophobicContact CD1-CG2 3.55Å; Y143-T502 HydrophobicContact CE1-CG2 3.92Å; Y143-T502 HydrophobicContact CG-CG2 4.5Å
144T97.3Very high97.4Very high5 Ų535.7 Ų35.73%0.03119%0.188CC..  trans-117.1121.9175.3-57.20000108.4L142 V148 R149 F156L142-T144 PolarHBondContact O-N 2.93Å; T144-V148 HydrophobicContact CG2-CB 3.88Å; T144-V148 HydrophobicContact CG2-CG1 3.65Å; T144-R149 HydrophobicContact CG2-CG 3.74Å; T144-R149 PolarHBondContact O-NH1 2.8Å; T144-F156 HydrophobicContact CG2-CB 4.27Å; T144-F156 HydrophobicContact CG2-CD2 4.18Å
145P96.8Very high97.2Very high44 Ų4441.5 Ų41.529%0.28621%0.213SC..  trans-52.7143.1-179.4-26.734000113.1Y143 E147 V148 R149Y143-P145 HydrophobicContact CE1-CB 4.29Å; Y143-P145 HydrophobicContact CE1-CG 4.02Å; P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 PolarHBondContact O-N 2.89Å; P145-V148 HydrophobicContact CB-CB 4.43Å; P145-V148 HydrophobicContact CB-CG2 4.1Å; P145-V148 HydrophobicContact CG-CG2 4.24Å; P145-V148 WeakPolarHBondContact O-CA 2.72Å; P145-V148 WeakPolarHBondContact O-CB 3.24Å; P145-V148 PolarHBondContact O-N 2.9Å; P145-R149 PolarHBondContact O-N 2.81Å
146L96.7Very high97.1Very high12 Ų1244.7 Ų44.76%0.06323%0.227CC..Hα-helixtrans-52.1-44.9-178.917763.4000112.3V148 R149 E150 D187 S191 M196L146-V148 VanDerWaalsContact C-N 3.27Å; L146-V148 PolarHBondContact O-N 3.39Å; L146-R149 WeakPolarHBondContact O-CB 3.32Å; L146-R149 PolarHBondContact O-N 3.15Å; L146-E150 HydrophobicContact CD1-CG 4.13Å; L146-E150 HydrophobicContact CG-CG 4.47Å; L146-E150 WeakPolarHBondContact O-CG 3.4Å; L146-E150 PolarHBondContact O-N 3.5Å; L146-D187 HydrophobicContact CB-CB 4.36Å; L146-D187 HydrophobicContact CD2-CB 4.43Å; L146-S191 WeakPolarHBondContact CB-OG 3Å; L146-M196 HydrophobicContact CD2-CE 3.38Å
147E96.2Very high97Very high38 Ų3846.8 Ų46.818%0.17824%0.241CC..Hα-helixtrans-58.1-39.6176.2-70.485.2163.500112.3P145 E150 M151 S191 D192P145-E147 VanDerWaalsContact C-N 3.28Å; P145-E147 PolarHBondContact O-N 2.89Å; E147-E150 PolarHBondContact O-N 2.95Å; E147-M151 HydrophobicContact CB-SD 4.46Å; E147-M151 WeakPolarHBondContact O-CB 3.34Å; E147-M151 VanDerWaalsContact O-CG 3.27Å; E147-M151 WeakPolarHBondContact O-CG 3.3Å; E147-M151 PolarHBondContact O-N 3.11Å; E147-S191 WeakPolarHBondContact OE1-CA 3.11Å; E147-S191 WeakPolarHBondContact OE1-CB 3.18Å; E147-S191 PolarHBondContact OE1-OG 3.39Å; E147-S191 PolarHBondContact OE2-OG 3.31Å; E147-D192 PolarHBondContact OE1-N 2.61Å
148V96.7Very high96.9Very high41 Ų4149.7 Ų49.725%0.24825%0.254CS..Hα-helixtrans-69.9-40.2177177.90000109.9T144 P145 L146 E150 L152 K155T144-V148 HydrophobicContact CG2-CB 3.88Å; T144-V148 HydrophobicContact CG2-CG1 3.65Å; P145-V148 HydrophobicContact CB-CB 4.43Å; P145-V148 HydrophobicContact CB-CG2 4.1Å; P145-V148 HydrophobicContact CG-CG2 4.24Å; P145-V148 WeakPolarHBondContact O-CA 2.72Å; P145-V148 WeakPolarHBondContact O-CB 3.24Å; P145-V148 PolarHBondContact O-N 2.9Å; L146-V148 VanDerWaalsContact C-N 3.27Å; L146-V148 PolarHBondContact O-N 3.39Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 2.97Å; V148-L152 HydrophobicContact CG1-CB 4.25Å; V148-L152 CarbonylContact O-C 3.57Å; V148-L152 VanDerWaalsContact O-CA 3.28Å; V148-L152 WeakPolarHBondContact O-CA 3.3Å; V148-L152 WeakPolarHBondContact O-CB 3.27Å; V148-L152 PolarHBondContact O-N 3.24Å; V148-L152 VanDerWaalsContact O-O 3.12Å; V148-K155 HydrophobicContact CG1-CB 4Å; V148-K155 HydrophobicContact CG1-CD 4.37Å
149R96.5Very high96.8Very high28 Ų2849.7 Ų49.711%0.10625%0.254CS..Hα-helixtrans-62.3-39176.1-60.8-165.1-55.5-103.710.3111.9T144 P145 L146 F156 D187T144-R149 HydrophobicContact CG2-CG 3.74Å; T144-R149 PolarHBondContact O-NH1 2.8Å; P145-R149 PolarHBondContact O-N 2.81Å; L146-R149 WeakPolarHBondContact O-CB 3.32Å; L146-R149 PolarHBondContact O-N 3.15Å; R149-F156 HydrophobicContact CG-CB 4.28Å; R149-F156 HydrophobicContact CG-CD2 3.71Å; R149-F156 HydrophobicContact CG-CE2 4.24Å; R149-F156 HydrophobicContact CG-CG 3.93Å; R149-D187 IonicContact CZ-OD1 3.58Å; R149-D187 VanDerWaalsContact CZ-OD1 3.26Å; R149-D187 IonicContact CZ-OD2 2.67Å; R149-D187 IonicContact NH1-OD1 2.72Å; R149-D187 PolarHBondContact NH1-OD1 3.44Å; R149-D187 IonicContact NH1-OD2 3.46Å; R149-D187 IonicContact NH2-OD1 2.67Å; R149-D187 PolarHBondContact NH2-OD1 3.05Å; R149-D187 IonicContact NH2-OD2 2.73Å; R149-D187 PolarHBondContact NH2-OD2 3.28Å
150E95.8Very high96.8Very high111 Ų11154.6 Ų54.652%0.51928%0.279SS..Hα-helixtrans-80.5-45.2-179.2-69.3-179.7171.200113.4L146 E147 V148 R195L146-E150 HydrophobicContact CD1-CG 4.13Å; L146-E150 HydrophobicContact CG-CG 4.47Å; L146-E150 WeakPolarHBondContact O-CG 3.4Å; L146-E150 PolarHBondContact O-N 3.5Å; E147-E150 PolarHBondContact O-N 2.95Å; V148-E150 VanDerWaalsContact C-N 3.31Å; V148-E150 PolarHBondContact O-N 2.97Å; E150-R195 WeakPolarHBondContact OE2-CD 3.43Å; E150-R195 IonicContact OE2-CZ 3.99Å; E150-R195 IonicContact OE2-NE 3.27Å; E150-R195 PolarHBondContact OE2-NE 3.4Å
151M97.4Very high96.7Very high121 Ų12157.1 Ų57.160%0.59629%0.287SS*.Hα-helixtrans-89.7-26.7-172.7-60.6176.161.800113.2E147 P153 R195E147-M151 HydrophobicContact CB-SD 4.46Å; E147-M151 WeakPolarHBondContact O-CB 3.34Å; E147-M151 VanDerWaalsContact O-CG 3.27Å; E147-M151 WeakPolarHBondContact O-CG 3.3Å; E147-M151 PolarHBondContact O-N 3.11Å; M151-P153 VanDerWaalsContact C-CD 3.47Å; M151-R195 PolarHBondContact SD-NH2 2.88Å
152L97.2Very high96.8Very high69 Ų6956.9 Ų56.936%0.36129%0.285SS..  trans-132.661-175.1-59.4175000110.4V148 N154 K155V148-L152 HydrophobicContact CG1-CB 4.25Å; V148-L152 CarbonylContact O-C 3.57Å; V148-L152 VanDerWaalsContact O-CA 3.28Å; V148-L152 WeakPolarHBondContact O-CA 3.3Å; V148-L152 WeakPolarHBondContact O-CB 3.27Å; V148-L152 PolarHBondContact O-N 3.24Å; V148-L152 VanDerWaalsContact O-O 3.12Å; L152-N154 PolarHBondContact O-N 3.46Å; L152-K155 HydrophobicContact CB-CB 4.41Å; L152-K155 HydrophobicContact CB-CD 4.11Å; L152-K155 HydrophobicContact CB-CG 4.19Å; L152-K155 HydrophobicContact CD1-CD 3.87Å; L152-K155 WeakPolarHBondContact O-CB 3.29Å; L152-K155 PolarHBondContact O-N 3.18Å
153P94.9Very high96.8Very high84 Ų8456.4 Ų56.455%0.54528%0.283SS..G310 helixtrans-58.7-26.4-172.923.2-34.7000113.3M151 K155 F156M151-P153 VanDerWaalsContact C-CD 3.47Å; P153-K155 PolarHBondContact O-N 2.98Å; P153-F156 PolarHBondContact O-N 3.22Å; P153-F156 VanDerWaalsContact O-N 3.08Å
154N95.6Very high96.8Very high138 Ų13856 Ų5674%0.73828%0.281SS*.G310 helixtrans-67.4-15.5174.766-41.7000114.4L152 F156L152-N154 PolarHBondContact O-N 3.46Å; N154-F156 VanDerWaalsContact C-N 3.35Å
155K94.8Very high96.8Very high121 Ų12156.2 Ų56.253%0.52628%0.282SS..G310 helixtrans-88.5-3.8172.9-64.6-171.1179179.80112.8V148 L152 P153V148-K155 HydrophobicContact CG1-CB 4Å; V148-K155 HydrophobicContact CG1-CD 4.37Å; L152-K155 HydrophobicContact CB-CB 4.41Å; L152-K155 HydrophobicContact CB-CD 4.11Å; L152-K155 HydrophobicContact CB-CG 4.19Å; L152-K155 HydrophobicContact CD1-CD 3.87Å; L152-K155 WeakPolarHBondContact O-CB 3.29Å; L152-K155 PolarHBondContact O-N 3.18Å; P153-K155 PolarHBondContact O-N 2.98Å
156F95.4Very high96.7Very high67 Ų6759.4 Ų59.429%0.29429%0.293SS..  trans-117.8138.6-179.8174.5-100000111.1V5 T144 R149 P153 N154V5-F156 HydrophobicContact CB-CE2 4.15Å; V5-F156 HydrophobicContact CB-CZ 3.76Å; V5-F156 HydrophobicContact CG1-CZ 4.02Å; T144-F156 HydrophobicContact CG2-CB 4.27Å; T144-F156 HydrophobicContact CG2-CD2 4.18Å; R149-F156 HydrophobicContact CG-CB 4.28Å; R149-F156 HydrophobicContact CG-CD2 3.71Å; R149-F156 HydrophobicContact CG-CE2 4.24Å; R149-F156 HydrophobicContact CG-CG 3.93Å; P153-F156 PolarHBondContact O-N 3.22Å; P153-F156 VanDerWaalsContact O-N 3.08Å; N154-F156 VanDerWaalsContact C-N 3.35Å
157P96.4Very high96.7Very high45 Ų4559.1 Ų59.129%0.29229%0.293SS..  cis-77.5159-9.234.9-36.7000112.5K106 A159 I160K106-P157 PolarHBondContact NZ-O 3.19Å; P157-A159 WeakPolarHBondContact CB-O 3.28Å; P157-I160 HydrophobicContact CG-CG2 3.96Å
158K97.1Very high96.5Very high61 Ų6161.9 Ų61.927%0.26531%0.309SS..SBendtrans-62.9-44.1173.1-77.9173.3173.7177.20111.3L101 K106 V141 L142 Y143L101-K158 HydrophobicContact CD1-CB 4.01Å; L101-K158 HydrophobicContact CD1-CD 3.86Å; L101-K158 HydrophobicContact CD1-CG 4.22Å; L101-K158 HydrophobicContact CD2-CB 4.25Å; K106-K158 WeakPolarHBondContact CD-O 3.34Å; K106-K158 PolarHBondContact NZ-O 2.84Å; V141-K158 WeakPolarHBondContact O-CD 3.48Å; V141-K158 PolarHBondContact O-NZ 3.06Å; L142-K158 HydrophobicContact CD2-CB 4.39Å; Y143-K158 WeakPolarHBondContact O-CE 3.26Å; Y143-K158 PolarHBondContact O-NZ 2.84Å
159A97.7Very high96.5Very high0 Ų065.7 Ų65.70%033%0.328CS..  trans-131.1146.2171.600000110.5T7 K106 P108 L142 P157T7-A159 HydrophobicContact CG2-CB 4.14Å; T7-A159 WeakPolarHBondContact CG2-O 3.5Å; T7-A159 PolarHBondContact OG1-O 2.75Å; K106-A159 CarbonylContact O-C 3.6Å; K106-A159 WeakPolarHBondContact O-CA 3.48Å; K106-A159 WeakPolarHBondContact O-CB 3.38Å; P108-A159 HydrophobicContact CG-CB 4.47Å; L142-A159 HydrophobicContact CD2-CB 3.58Å; P157-A159 WeakPolarHBondContact CB-O 3.28Å
160I97.2Very high96.5Very high104 Ų10467.5 Ų67.553%0.53334%0.344SS..SBendtrans-93.5-17.4-17959.1170.8000112.8K106 P157K106-I160 HydrophobicContact CB-CG1 4.39Å; K106-I160 WeakPolarHBondContact O-CG1 3.33Å; K106-I160 PolarHBondContact O-N 3.26Å; P157-I160 HydrophobicContact CG-CG2 3.96Å
161R97.7Very high96.5Very high86 Ų8662.5 Ų62.533%0.32532%0.321SS..  trans-151.6142.8-177-179.7-175.5-66.4132.10.5108.8F10 S19 Y20 S107 P108F10-R161 HydrophobicContact CD2-CG 3.84Å; F10-R161 HydrophobicContact CE2-CG 3.89Å; S19-R161 PolarHBondContact O-NH1 3.3Å; Y20-R161 HydrophobicContact CE1-CG 3.75Å; S107-R161 WeakPolarHBondContact CA-O 3.49Å; P108-R161 VanDerWaalsContact CD-O 3.29Å; P108-R161 WeakPolarHBondContact CD-O 3.46Å
162F98.5Very high96.5Very high0 Ų057 Ų570%029%0.294CS..EExtended strand (participates in β ladder)trans-129.4123.2173.6179.4-153.3000109.6T7 P8 V9 F10 P108 L110 I135 A138 Y139 L142 V164T7-F162 HydrophobicContact CG2-CB 3.91Å; P8-F162 PolarHBondContact O-N 3.25Å; V9-F162 CarbonylContact C-O 3.46Å; V9-F162 WeakPolarHBondContact CA-O 3.48Å; V9-F162 HydrophobicContact CB-CB 4.43Å; V9-F162 HydrophobicContact CB-CD1 4.04Å; V9-F162 HydrophobicContact CG2-CB 4.41Å; V9-F162 HydrophobicContact CG2-CD1 3.69Å; V9-F162 HydrophobicContact CG2-CE1 4.17Å; V9-F162 HydrophobicContact CG2-CG 4.12Å; F10-F162 PolarHBondContact N-O 2.96Å; P108-F162 HydrophobicContact CG-CD2 4.22Å; L110-F162 HydrophobicContact CB-CE2 3.66Å; L110-F162 HydrophobicContact CB-CZ 4.13Å; L110-F162 HydrophobicContact CD2-CE2 4.29Å; L110-F162 HydrophobicContact CD2-CZ 3.89Å; I135-F162 HydrophobicContact CG2-CE1 3.94Å; I135-F162 HydrophobicContact CG2-CZ 4.47Å; A138-F162 HydrophobicContact CB-CE1 4.11Å; A138-F162 HydrophobicContact CB-CE2 4.16Å; A138-F162 HydrophobicContact CB-CZ 3.51Å; Y139-F162 HydrophobicContact CD1-CD1 4.13Å; Y139-F162 HydrophobicContact CD1-CE1 4.27Å; Y139-F162 HydrophobicContact CD2-CE1 4.45Å; Y139-F162 AromaticContact CE1-CD1 3.73Å; Y139-F162 HydrophobicContact CE1-CD1 3.73Å; Y139-F162 HydrophobicContact CE1-CE1 4.2Å; Y139-F162 HydrophobicContact CE2-CE1 4.4Å; Y139-F162 HydrophobicContact CG-CE1 4.39Å; Y139-F162 AromaticContact CZ-CD1 3.99Å; L142-F162 HydrophobicContact CD1-CB 4.32Å; L142-F162 HydrophobicContact CD1-CD1 4.17Å; L142-F162 HydrophobicContact CD1-CG 4.19Å; F162-V164 HydrophobicContact CE1-CG2 4.16Å; F162-V164 HydrophobicContact CE2-CG2 4.02Å; F162-V164 HydrophobicContact CZ-CG2 3.82Å
163G98.5Very high96.5Very high0 Ų057.9 Ų57.90%030%0.299CS..EExtended strand (participates in β ladder)trans-106.4144.3178.900000110.3Y20 P108 L109 L110Y20-G163 WeakPolarHBondContact OH-CA 3.44Å; P108-G163 PolarHBondContact O-N 3.36Å; L109-G163 CarbonylContact C-O 3.57Å; L110-G163 PolarHBondContact N-O 3.4Å
164V98.6Very high96.7Very high0 Ų054 Ų540%027%0.274CS..EExtended strand (participates in β ladder)trans-134.8124.6174.5-171.40000108.7V9 F10 V12 L110 L131 I135 F162 A167 L172V9-V164 HydrophobicContact CG2-CG2 3.61Å; F10-V164 PolarHBondContact O-N 2.96Å; V12-V164 PolarHBondContact N-O 3.06Å; L110-V164 HydrophobicContact CB-CG2 4.49Å; L110-V164 HydrophobicContact CD2-CG1 4.38Å; L110-V164 WeakPolarHBondContact O-CA 3.23Å; L131-V164 HydrophobicContact CD1-CG1 4.28Å; I135-V164 HydrophobicContact CD1-CG1 4.08Å; I135-V164 HydrophobicContact CG1-CG1 3.95Å; I135-V164 HydrophobicContact CG1-CG2 4.07Å; F162-V164 HydrophobicContact CE1-CG2 4.16Å; F162-V164 HydrophobicContact CE2-CG2 4.02Å; F162-V164 HydrophobicContact CZ-CG2 3.82Å; V164-A167 HydrophobicContact CB-CB 4.09Å; V164-A167 HydrophobicContact CG1-CB 3.66Å; V164-L172 HydrophobicContact CB-CD2 4.05Å; V164-L172 HydrophobicContact CG2-CD2 3.96Å
165M97.8Very high96.8Very high11 Ų1147.4 Ų47.45%0.05424%0.239CC..EExtended strand (participates in β ladder)trans-77152.4171.4-67.2-16768.600111.4V12 L15 D36 L37 L109 L110 C111 A167V12-M165 HydrophobicContact CB-CG 4.3Å; V12-M165 HydrophobicContact CG1-CG 4.48Å; V12-M165 WeakPolarHBondContact O-CA 3.15Å; L15-M165 HydrophobicContact CB-CE 4.18Å; L15-M165 HydrophobicContact CB-SD 3.91Å; L15-M165 HydrophobicContact CD1-SD 3.79Å; L15-M165 HydrophobicContact CG-SD 4.47Å; D36-M165 HydrophobicContact CB-CE 3.98Å; L37-M165 HydrophobicContact CD2-CE 4.04Å; L37-M165 HydrophobicContact CD2-SD 3.55Å; L37-M165 VanDerWaalsContact CD2-SD 3.55Å; L109-M165 HydrophobicContact CD1-CG 3.91Å; L109-M165 HydrophobicContact CD2-CG 4.44Å; L109-M165 HydrophobicContact CD2-SD 4.41Å; L109-M165 HydrophobicContact CG-CG 4.37Å; L110-M165 PolarHBondContact O-N 3.44Å; C111-M165 PolarHBondContact SG-SD 2.74Å; M165-A167 PolarHBondContact O-N 3.02Å
166E94.9Very high97Very high110 Ų11043.6 Ų43.651%0.51422%0.224SC..SBendtrans67.2-23.6178.2-168.8-175.4157.400116.2R127 L131 D168R127-E166 WeakPolarHBondContact CG-OE1 3.18Å; R127-E166 IonicContact CZ-OE1 3.8Å; R127-E166 IonicContact CZ-OE2 2.7Å; R127-E166 IonicContact NE-OE1 3.28Å; R127-E166 PolarHBondContact NE-OE1 3.46Å; R127-E166 IonicContact NE-OE2 2.72Å; R127-E166 PolarHBondContact NE-OE2 3.41Å; R127-E166 IonicContact NH2-OE1 3.94Å; R127-E166 IonicContact NH2-OE2 2.77Å; R127-E166 PolarHBondContact NH2-OE2 3.41Å; L131-E166 HydrophobicContact CD2-CB 4.43Å; L131-E166 HydrophobicContact CD2-CG 4.48Å; E166-D168 PolarHBondContact O-N 3.25Å
167A94.7Very high97.1Very high6 Ų640.4 Ų40.45%0.0521%0.211CC..  trans-69.5125.4179.200000111.5P11 L131 I135 V164 M165 L171 L172P11-A167 VanDerWaalsContact CB-O 3.32Å; P11-A167 WeakPolarHBondContact CB-O 3.31Å; L131-A167 HydrophobicContact CD2-CB 3.94Å; L131-A167 HydrophobicContact CG-CB 4.45Å; I135-A167 HydrophobicContact CD1-CB 4.29Å; V164-A167 HydrophobicContact CB-CB 4.09Å; V164-A167 HydrophobicContact CG1-CB 3.66Å; M165-A167 PolarHBondContact O-N 3.02Å; A167-L171 HydrophobicContact CB-CD2 3.9Å; A167-L171 HydrophobicContact CB-CG 4.48Å; A167-L172 HydrophobicContact CB-CD1 4.32Å; A167-L172 HydrophobicContact CB-CD2 3.59Å; A167-L172 HydrophobicContact CB-CG 3.79Å
168D94Very high97.3Very high97 Ų9738.3 Ų38.352%0.51920%0.197SC..  trans-76.5168171.774.116.9000111.9E166 S170 L171 L172E166-D168 PolarHBondContact O-N 3.25Å; D168-S170 PolarHBondContact O-N 3.4Å; D168-S170 WeakPolarHBondContact OD1-CA 3.45Å; D168-S170 VanDerWaalsContact OD1-CB 3.29Å; D168-S170 WeakPolarHBondContact OD1-CB 3.21Å; D168-S170 PolarHBondContact OD1-N 3.02Å; D168-L171 PolarHBondContact O-N 2.93Å; D168-L171 WeakPolarHBondContact OD1-CB 3.22Å; D168-L171 PolarHBondContact OD1-N 2.83Å; D168-L172 WeakPolarHBondContact O-CG 3.44Å; D168-L172 PolarHBondContact O-N 3.32Å
169N95.7Very high97.3Very high120 Ų12035.5 Ų35.564%0.64218%0.184SC*.Hα-helixtrans-61.1-27.1178.8-73.7-52.5000113.2P11 N173P11-N169 WeakPolarHBondContact CG-OD1 3.41Å; N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 3.36Å
170S95.6Very high97.4Very high66 Ų6636.8 Ų36.846%0.46219%0.19SC..Hα-helixtrans-70.2-49.2-179.7-172.80000110.7D168 L172 N173 I174D168-S170 PolarHBondContact O-N 3.4Å; D168-S170 WeakPolarHBondContact OD1-CA 3.45Å; D168-S170 VanDerWaalsContact OD1-CB 3.29Å; D168-S170 WeakPolarHBondContact OD1-CB 3.21Å; D168-S170 PolarHBondContact OD1-N 3.02Å; S170-L172 PolarHBondContact O-N 3.42Å; S170-N173 PolarHBondContact O-N 3.1Å; S170-I174 WeakPolarHBondContact O-CG1 3.1Å; S170-I174 PolarHBondContact O-N 3.47Å
171L97Very high97.4Very high6 Ų631.8 Ų31.83%0.03117%0.165CC..Hα-helixtrans-60.5-45.3175.417861.8000111.4L131 L132 I135 A167 D168 N173 I174 A175 F522L131-L171 HydrophobicContact CB-CD2 4.06Å; L131-L171 HydrophobicContact CD2-CD2 3.44Å; L131-L171 VanDerWaalsContact CD2-CD2 3.44Å; L131-L171 HydrophobicContact CG-CD2 3.69Å; L132-L171 HydrophobicContact CB-CD1 3.99Å; L132-L171 HydrophobicContact CD1-CD1 4.06Å; L132-L171 HydrophobicContact CG-CD1 4.5Å; I135-L171 HydrophobicContact CD1-CD2 4.14Å; I135-L171 HydrophobicContact CD1-CG 4.18Å; A167-L171 HydrophobicContact CB-CD2 3.9Å; A167-L171 HydrophobicContact CB-CG 4.48Å; D168-L171 PolarHBondContact O-N 2.93Å; D168-L171 WeakPolarHBondContact OD1-CB 3.22Å; D168-L171 PolarHBondContact OD1-N 2.83Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 2.94Å; L171-I174 WeakPolarHBondContact O-CB 3.47Å; L171-I174 PolarHBondContact O-N 2.81Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.2Å; L171-F522 HydrophobicContact CD1-CD2 4.46Å; L171-F522 HydrophobicContact CD1-CE2 3.71Å
172L97.9Very high97.5Very high6 Ų627.9 Ų27.93%0.03115%0.15CC..Hα-helixtrans-65.3-37.5178.4-67.8-175000112.3V9 F10 P11 I135 V164 A167 D168 S170 A175 N176V9-L172 HydrophobicContact CG1-CB 4.17Å; V9-L172 HydrophobicContact CG1-CD2 4.33Å; V9-L172 HydrophobicContact CG2-CD1 4.37Å; V9-L172 HydrophobicContact CG2-CD2 3.71Å; F10-L172 VanDerWaalsContact C-CD1 3.45Å; P11-L172 HydrophobicContact CB-CD1 3.75Å; P11-L172 HydrophobicContact CG-CD1 4.18Å; I135-L172 HydrophobicContact CD1-CD2 3.93Å; V164-L172 HydrophobicContact CB-CD2 4.05Å; V164-L172 HydrophobicContact CG2-CD2 3.96Å; A167-L172 HydrophobicContact CB-CD1 4.32Å; A167-L172 HydrophobicContact CB-CD2 3.59Å; A167-L172 HydrophobicContact CB-CG 3.79Å; D168-L172 WeakPolarHBondContact O-CG 3.44Å; D168-L172 PolarHBondContact O-N 3.32Å; S170-L172 PolarHBondContact O-N 3.42Å; L172-A175 PolarHBondContact O-N 2.98Å; L172-N176 WeakPolarHBondContact O-CB 3.41Å; L172-N176 PolarHBondContact O-N 2.61Å
173N97.6Very high97.5Very high87 Ų8728.2 Ų28.247%0.46515%0.152SC..Hα-helixtrans-64.1-41.9173.5-176.858.7000111.7N169 S170 L171 A177N169-N173 WeakPolarHBondContact O-CB 3.41Å; N169-N173 PolarHBondContact O-N 3.36Å; S170-N173 PolarHBondContact O-N 3.1Å; L171-N173 VanDerWaalsContact C-N 3.33Å; L171-N173 PolarHBondContact O-N 2.94Å; N173-A177 VanDerWaalsContact O-CB 3.31Å; N173-A177 WeakPolarHBondContact O-CB 3.37Å; N173-A177 PolarHBondContact O-N 3.34Å
174I98.2Very high97.5Very high3 Ų328.6 Ų28.62%0.01515%0.154CC..Hα-helixtrans-58.8-52.9173.1-73.2167.1000110.8L132 S170 L171 N176 A177 I178 L309 L517 L520 F522L132-I174 HydrophobicContact CD1-CG2 4.31Å; S170-I174 WeakPolarHBondContact O-CG1 3.1Å; S170-I174 PolarHBondContact O-N 3.47Å; L171-I174 WeakPolarHBondContact O-CB 3.47Å; L171-I174 PolarHBondContact O-N 2.81Å; I174-N176 VanDerWaalsContact C-N 3.35Å; I174-N176 PolarHBondContact O-N 2.71Å; I174-A177 PolarHBondContact O-N 3.26Å; I174-I178 HydrophobicContact CG2-CD1 3.79Å; I174-I178 WeakPolarHBondContact O-CB 3.49Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 3.04Å; I174-L309 HydrophobicContact CG1-CD2 4.27Å; I174-L517 HydrophobicContact CD1-CD2 4.34Å; I174-L517 HydrophobicContact CG1-CD2 4.37Å; I174-L517 HydrophobicContact CG2-CD2 3.49Å; I174-L517 VanDerWaalsContact CG2-CD2 3.49Å; I174-L520 HydrophobicContact CD1-CD1 4.33Å; I174-L520 HydrophobicContact CG1-CD1 4.08Å; I174-F522 HydrophobicContact CD1-CB 4.06Å; I174-F522 HydrophobicContact CD1-CD2 3.76Å; I174-F522 HydrophobicContact CD1-CG 4.27Å
175A98.4Very high97.5Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-62.1-42.5-17800000111.8L132 I135 Y139 L171 L172 I178 E179L132-A175 HydrophobicContact CD1-CB 3.84Å; I135-A175 HydrophobicContact CB-CB 4.3Å; I135-A175 HydrophobicContact CG2-CB 3.55Å; Y139-A175 HydrophobicContact CE2-CB 4.25Å; L171-A175 WeakPolarHBondContact O-CB 3.37Å; L171-A175 PolarHBondContact O-N 3.2Å; L172-A175 PolarHBondContact O-N 2.98Å; A175-I178 PolarHBondContact O-N 3.15Å; A175-E179 WeakPolarHBondContact O-CB 3.13Å; A175-E179 PolarHBondContact O-N 2.89Å
176N98.2Very high97.5Very high40 Ų4028.2 Ų28.221%0.21415%0.153CC..Hα-helixtrans-63.1-48176.7-173.676.6000111.6V9 Y139 L172 I174 I178 E179 E180V9-N176 HydrophobicContact CG1-CB 4.28Å; Y139-N176 PolarHBondContact OH-OD1 3.34Å; L172-N176 WeakPolarHBondContact O-CB 3.41Å; L172-N176 PolarHBondContact O-N 2.61Å; I174-N176 VanDerWaalsContact C-N 3.35Å; I174-N176 PolarHBondContact O-N 2.71Å; N176-I178 VanDerWaalsContact C-N 3.31Å; N176-I178 PolarHBondContact O-N 3.07Å; N176-E179 PolarHBondContact O-N 3.18Å; N176-E179 VanDerWaalsContact O-N 3.13Å; N176-E180 VanDerWaalsContact O-CG 3.26Å; N176-E180 WeakPolarHBondContact O-CG 3.43Å; N176-E180 PolarHBondContact O-N 3.43Å
177A98.4Very high97.7Very high1 Ų123 Ų231%0.00813%0.128CC..Hα-helixtrans-63.1-37.817900000112.8N173 I174 G181 T305 L308 L309N173-A177 VanDerWaalsContact O-CB 3.31Å; N173-A177 WeakPolarHBondContact O-CB 3.37Å; N173-A177 PolarHBondContact O-N 3.34Å; I174-A177 PolarHBondContact O-N 3.26Å; A177-G181 PolarHBondContact O-N 2.8Å; A177-T305 PolarHBondContact O-OG1 2.9Å; A177-L308 HydrophobicContact CB-CB 3.79Å; A177-L308 HydrophobicContact CB-CD1 4.05Å; A177-L309 HydrophobicContact CB-CD1 4.09Å; A177-L309 HydrophobicContact CB-CD2 3.54Å; A177-L309 HydrophobicContact CB-CG 3.57Å
178I98.7Very high97.9Very high0 Ų022.7 Ų22.70%013%0.126CC..Hα-helixtrans-62.4-45.8172.2-74.8172.2000110.7L136 I174 A175 N176 G181 R182 T305 L508 L509 A512 L517L136-I178 HydrophobicContact CD2-CB 4.17Å; L136-I178 HydrophobicContact CD2-CG2 3.52Å; I174-I178 HydrophobicContact CG2-CD1 3.79Å; I174-I178 WeakPolarHBondContact O-CB 3.49Å; I174-I178 WeakPolarHBondContact O-CG1 3.45Å; I174-I178 PolarHBondContact O-N 3.04Å; A175-I178 PolarHBondContact O-N 3.15Å; N176-I178 VanDerWaalsContact C-N 3.31Å; N176-I178 PolarHBondContact O-N 3.07Å; I178-G181 CarbonylContact O-C 3.54Å; I178-G181 WeakPolarHBondContact O-CA 3.16Å; I178-G181 PolarHBondContact O-N 3.19Å; I178-G181 VanDerWaalsContact O-N 3.14Å; I178-R182 HydrophobicContact CG2-CG 4.31Å; I178-R182 WeakPolarHBondContact O-CG 3.23Å; I178-R182 PolarHBondContact O-N 3.2Å; I178-T305 HydrophobicContact CG1-CG2 3.81Å; I178-L508 HydrophobicContact CG2-CD2 4.13Å; I178-L509 HydrophobicContact CG2-CD2 3.2Å; I178-A512 HydrophobicContact CD1-CB 4.44Å; I178-A512 HydrophobicContact CG1-CB 4.49Å; I178-L517 HydrophobicContact CD1-CD2 4.46Å
179E98.7Very high98Very high2 Ų218.1 Ų18.11%0.00910%0.101CC..Hα-helixtrans-70-32.1-178-171.460.1-158.400112.8V6 Y139 A175 N176 G181 R182 T183 R186V6-E179 HydrophobicContact CG1-CB 4.18Å; V6-E179 HydrophobicContact CG1-CG 3.87Å; V6-E179 HydrophobicContact CG2-CG 4.22Å; Y139-E179 VanDerWaalsContact CB-CD 3.49Å; Y139-E179 WeakPolarHBondContact CB-OE2 3.35Å; Y139-E179 HydrophobicContact CD1-CB 4.45Å; Y139-E179 HydrophobicContact CD1-CG 3.86Å; Y139-E179 HydrophobicContact CD2-CB 3.77Å; Y139-E179 HydrophobicContact CD2-CG 3.97Å; Y139-E179 HydrophobicContact CE1-CG 4.42Å; Y139-E179 HydrophobicContact CE2-CB 4.05Å; Y139-E179 HydrophobicContact CE2-CG 4.49Å; Y139-E179 HydrophobicContact CG-CB 3.98Å; Y139-E179 HydrophobicContact CG-CG 3.61Å; A175-E179 WeakPolarHBondContact O-CB 3.13Å; A175-E179 PolarHBondContact O-N 2.89Å; N176-E179 PolarHBondContact O-N 3.18Å; N176-E179 VanDerWaalsContact O-N 3.13Å; E179-G181 VanDerWaalsContact C-N 3.3Å; E179-G181 PolarHBondContact O-N 3.32Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 WeakPolarHBondContact OE2-CD 3.49Å; E179-R182 IonicContact OE2-CZ 3.88Å; E179-R182 IonicContact OE2-NE 3.73Å; E179-R182 IonicContact OE2-NH1 2.8Å; E179-R182 PolarHBondContact OE2-NH1 3.36Å; E179-T183 VanDerWaalsContact O-CB 3.26Å; E179-T183 WeakPolarHBondContact O-CB 3.29Å; E179-T183 PolarHBondContact O-N 3.13Å; E179-T183 PolarHBondContact O-OG1 3.1Å; E179-R186 IonicContact OE1-CZ 2.86Å; E179-R186 IonicContact OE1-NH1 3.36Å; E179-R186 PolarHBondContact OE1-NH1 3.13Å; E179-R186 IonicContact OE2-NH1 2.81Å
180E98.6Very high98.1Very high27 Ų2713 Ų1313%0.1268%0.078CC..Hα-helixtrans-57.3-45.7167.6-71.3-77.7177.800110.9S4 V6 N176 T183 L184 K304 L308S4-E180 WeakPolarHBondContact CB-OE1 3.43Å; S4-E180 PolarHBondContact OG-OE1 3.2Å; V6-E180 HydrophobicContact CG2-CG 4.05Å; N176-E180 VanDerWaalsContact O-CG 3.26Å; N176-E180 WeakPolarHBondContact O-CG 3.43Å; N176-E180 PolarHBondContact O-N 3.43Å; E180-T183 PolarHBondContact O-N 2.94Å; E180-L184 PolarHBondContact O-N 3.15Å; E180-K304 HydrophobicContact CB-CG 4.25Å; E180-L308 HydrophobicContact CB-CD1 3.55Å; E180-L308 HydrophobicContact CG-CD1 3.78Å
181G98.7Very high98.1Very high0 Ų09.9 Ų9.90%06%0.056CC..Hα-helixtrans-63.4-46.1174.600000113.1A177 I178 E179 T183 L184 A185 G301A177-G181 PolarHBondContact O-N 2.8Å; I178-G181 CarbonylContact O-C 3.54Å; I178-G181 WeakPolarHBondContact O-CA 3.16Å; I178-G181 PolarHBondContact O-N 3.19Å; I178-G181 VanDerWaalsContact O-N 3.14Å; E179-G181 VanDerWaalsContact C-N 3.3Å; E179-G181 PolarHBondContact O-N 3.32Å; G181-T183 VanDerWaalsContact C-N 3.32Å; G181-T183 PolarHBondContact O-N 3.04Å; G181-L184 PolarHBondContact O-N 2.61Å; G181-A185 WeakPolarHBondContact O-CB 3.4Å; G181-A185 PolarHBondContact O-N 3.04Å; G181-G301 WeakPolarHBondContact CA-O 3.19Å; G181-G301 WeakPolarHBondContact O-CA 3.33Å
182R98.7Very high98.1Very high4 Ų411.3 Ų11.32%0.0156%0.063CC..Hα-helixtrans-63.9-38.3177.6-69.4176.375.4-163.822.8111.8Y90 L136 I178 E179 A185 R186 A505 L508Y90-R182 PolarHBondContact OH-NH2 3.25Å; L136-R182 PolarHBondContact O-NH1 3.23Å; I178-R182 HydrophobicContact CG2-CG 4.31Å; I178-R182 WeakPolarHBondContact O-CG 3.23Å; I178-R182 PolarHBondContact O-N 3.2Å; E179-R182 PolarHBondContact O-N 2.95Å; E179-R182 WeakPolarHBondContact OE2-CD 3.49Å; E179-R182 IonicContact OE2-CZ 3.88Å; E179-R182 IonicContact OE2-NE 3.73Å; E179-R182 IonicContact OE2-NH1 2.8Å; E179-R182 PolarHBondContact OE2-NH1 3.36Å; R182-A185 PolarHBondContact O-N 2.89Å; R182-R186 VanDerWaalsContact O-CB 3.3Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 WeakPolarHBondContact O-CD 3.44Å; R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 2.99Å; R182-A505 HydrophobicContact CB-CB 4.16Å; R182-A505 HydrophobicContact CG-CB 4.06Å; R182-L508 HydrophobicContact CG-CD1 4.2Å; R182-L508 HydrophobicContact CG-CD2 4.09Å
183T98.6Very high98.1Very high7 Ų712.1 Ų12.14%0.0437%0.069CC..Hα-helixtrans-62.8-48.8176.6-63.90000110.6V5 Y143 E179 E180 G181 A185 R186 D187V5-T183 HydrophobicContact CG2-CG2 3.62Å; Y143-T183 HydrophobicContact CD2-CG2 4.05Å; Y143-T183 HydrophobicContact CE2-CG2 4.02Å; E179-T183 VanDerWaalsContact O-CB 3.26Å; E179-T183 WeakPolarHBondContact O-CB 3.29Å; E179-T183 PolarHBondContact O-N 3.13Å; E179-T183 PolarHBondContact O-OG1 3.1Å; E180-T183 PolarHBondContact O-N 2.94Å; G181-T183 VanDerWaalsContact C-N 3.32Å; G181-T183 PolarHBondContact O-N 3.04Å; T183-A185 VanDerWaalsContact C-N 3.34Å; T183-A185 PolarHBondContact O-N 2.95Å; T183-R186 PolarHBondContact O-N 3.09Å; T183-D187 WeakPolarHBondContact O-CB 3.47Å; T183-D187 PolarHBondContact O-N 3.26Å
184L98.6Very high98.1Very high7 Ų711.5 Ų11.54%0.0376%0.063CC..Hα-helixtrans-56.3-47.3173.4176.159.8000112E180 G181 R186 D187 I188 Y204 L205 A208 L209 A300 K304E180-L184 PolarHBondContact O-N 3.15Å; G181-L184 PolarHBondContact O-N 2.61Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.43Å; L184-D187 PolarHBondContact O-N 3.18Å; L184-I188 HydrophobicContact CD1-CD1 3.84Å; L184-I188 HydrophobicContact CD1-CG1 4.41Å; L184-I188 HydrophobicContact CG-CD1 4.21Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 3.12Å; L184-I188 VanDerWaalsContact O-N 3.07Å; L184-Y204 HydrophobicContact CD1-CD1 3.55Å; L184-Y204 HydrophobicContact CD1-CE1 3.38Å; L184-L205 HydrophobicContact CD1-CD2 4.25Å; L184-L205 HydrophobicContact CD2-CD2 4.24Å; L184-A208 HydrophobicContact CD1-CB 3.91Å; L184-A208 HydrophobicContact CD2-CB 4.18Å; L184-L209 HydrophobicContact CD2-CD2 4.16Å; L184-A300 HydrophobicContact CD2-CB 4.46Å; L184-K304 HydrophobicContact CD2-CB 3.73Å; L184-K304 HydrophobicContact CD2-CG 4.25Å
185A98.7Very high98Very high3 Ų315.3 Ų15.33%0.0258%0.078CC..Hα-helixtrans-63.8-37179.100000112.6G181 R182 T183 G189 A297 A505G181-A185 WeakPolarHBondContact O-CB 3.4Å; G181-A185 PolarHBondContact O-N 3.04Å; R182-A185 PolarHBondContact O-N 2.89Å; T183-A185 VanDerWaalsContact C-N 3.34Å; T183-A185 PolarHBondContact O-N 2.95Å; A185-G189 WeakPolarHBondContact O-CA 3.32Å; A185-G189 PolarHBondContact O-N 3.11Å; A185-A297 WeakPolarHBondContact CA-O 3.21Å; A185-A297 HydrophobicContact CB-CB 4.49Å; A185-A297 VanDerWaalsContact CB-O 3.22Å; A185-A297 WeakPolarHBondContact CB-O 3.49Å; A185-A297 WeakPolarHBondContact O-CB 3.26Å; A185-A505 HydrophobicContact CB-CB 3.56Å
186R98.5Very high98Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-74-37.4178-75.2167175.6154.9-1.2112.9H140 Y143 E179 R182 T183 L184 I188 G190 P503H140-R186 PolarHBondContact ND1-NH2 3Å; Y143-R186 HydrophobicContact CD2-CB 4.29Å; Y143-R186 HydrophobicContact CE1-CB 3.95Å; Y143-R186 HydrophobicContact CE1-CG 4.45Å; Y143-R186 HydrophobicContact CE2-CB 3.58Å; Y143-R186 HydrophobicContact CE2-CG 4.42Å; Y143-R186 WeakPolarHBondContact OH-CB 3.15Å; Y143-R186 PolarHBondContact OH-O 3.44Å; E179-R186 IonicContact OE1-CZ 2.86Å; E179-R186 IonicContact OE1-NH1 3.36Å; E179-R186 PolarHBondContact OE1-NH1 3.13Å; E179-R186 IonicContact OE2-NH1 2.81Å; R182-R186 VanDerWaalsContact O-CB 3.3Å; R182-R186 WeakPolarHBondContact O-CB 3.47Å; R182-R186 WeakPolarHBondContact O-CD 3.44Å; R182-R186 WeakPolarHBondContact O-CG 3.34Å; R182-R186 PolarHBondContact O-N 2.99Å; T183-R186 PolarHBondContact O-N 3.09Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.43Å; R186-I188 VanDerWaalsContact C-N 3.32Å; R186-G190 VanDerWaalsContact O-CA 3.32Å; R186-G190 WeakPolarHBondContact O-CA 3.45Å; R186-G190 PolarHBondContact O-N 2.87Å; R186-P503 HydrophobicContact CB-CG 4.49Å; R186-P503 HydrophobicContact CG-CB 4.06Å; R186-P503 HydrophobicContact CG-CG 4.43Å; R186-P503 WeakPolarHBondContact CG-O 3.3Å; R186-P503 PolarHBondContact NE-O 2.88Å
187D98.2Very high98Very high1 Ų113.7 Ų13.71%0.0057%0.069CC..Hα-helixtrans-62.4-45.5174.6-67-25.9000109.9Y143 L146 R149 T183 L184 S191 M196 Y204Y143-D187 WeakPolarHBondContact CE2-OD1 3.45Å; Y143-D187 PolarHBondContact OH-N 2.89Å; Y143-D187 PolarHBondContact OH-OD1 3.39Å; Y143-D187 VanDerWaalsContact OH-OD1 3.12Å; L146-D187 HydrophobicContact CB-CB 4.36Å; L146-D187 HydrophobicContact CD2-CB 4.43Å; R149-D187 IonicContact CZ-OD1 3.58Å; R149-D187 VanDerWaalsContact CZ-OD1 3.26Å; R149-D187 IonicContact CZ-OD2 2.67Å; R149-D187 IonicContact NH1-OD1 2.72Å; R149-D187 PolarHBondContact NH1-OD1 3.44Å; R149-D187 IonicContact NH1-OD2 3.46Å; R149-D187 IonicContact NH2-OD1 2.67Å; R149-D187 PolarHBondContact NH2-OD1 3.05Å; R149-D187 IonicContact NH2-OD2 2.73Å; R149-D187 PolarHBondContact NH2-OD2 3.28Å; T183-D187 WeakPolarHBondContact O-CB 3.47Å; T183-D187 PolarHBondContact O-N 3.26Å; L184-D187 PolarHBondContact O-N 3.18Å; D187-S191 WeakPolarHBondContact O-CB 3.45Å; D187-S191 PolarHBondContact O-N 3.07Å; D187-S191 PolarHBondContact O-OG 2.7Å; D187-M196 HydrophobicContact CB-CE 4.3Å; D187-M196 WeakPolarHBondContact O-CG 3.28Å; D187-Y204 HydrophobicContact CB-CE1 3.81Å; D187-Y204 PolarHBondContact OD2-OH 2.77Å
188I98.5Very high98Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-68.8-60.3176.6-63.7167.2000109.5L184 R186 G190 M196 I201 Y204 L205 K293 A297 A300 F322L184-I188 HydrophobicContact CD1-CD1 3.84Å; L184-I188 HydrophobicContact CD1-CG1 4.41Å; L184-I188 HydrophobicContact CG-CD1 4.21Å; L184-I188 WeakPolarHBondContact O-CG1 3.44Å; L184-I188 PolarHBondContact O-N 3.12Å; L184-I188 VanDerWaalsContact O-N 3.07Å; R186-I188 VanDerWaalsContact C-N 3.32Å; I188-G190 PolarHBondContact O-N 3.29Å; I188-M196 HydrophobicContact CB-SD 4.48Å; I188-M196 HydrophobicContact CG1-CE 4.33Å; I188-M196 HydrophobicContact CG1-SD 4.04Å; I188-I201 HydrophobicContact CD1-CG2 4.18Å; I188-I201 HydrophobicContact CG1-CG2 4.39Å; I188-I201 HydrophobicContact CG2-CD1 4.03Å; I188-I201 HydrophobicContact CG2-CG1 4.19Å; I188-I201 HydrophobicContact CG2-CG2 4.14Å; I188-Y204 HydrophobicContact CD1-CD1 4.35Å; I188-Y204 HydrophobicContact CG1-CD1 4.03Å; I188-Y204 HydrophobicContact CG1-CE1 4.47Å; I188-L205 HydrophobicContact CD1-CD2 3.55Å; I188-L205 HydrophobicContact CD1-CG 4.09Å; I188-K293 HydrophobicContact CG2-CG 4.35Å; I188-K293 WeakPolarHBondContact O-CE 3.49Å; I188-A297 HydrophobicContact CB-CB 3.84Å; I188-A297 HydrophobicContact CG2-CB 3.72Å; I188-A300 HydrophobicContact CD1-CB 4.25Å; I188-F322 HydrophobicContact CG2-CE1 4.31Å
189G97.6Very high98Very high0 Ų015.1 Ų15.10%08%0.078CC..Hα-helixtrans-68.1-32.6-169.800000115.1A185 C294A185-G189 WeakPolarHBondContact O-CA 3.32Å; A185-G189 PolarHBondContact O-N 3.11Å; G189-C294 VanDerWaalsContact CA-SG 3.6Å
190G96.6Very high98Very high14 Ų1420.1 Ų20.114%0.14410%0.1CC..Hα-helixtrans-91.7-19.5-175.700000115R186 I188 H290R186-G190 VanDerWaalsContact O-CA 3.32Å; R186-G190 WeakPolarHBondContact O-CA 3.45Å; R186-G190 PolarHBondContact O-N 2.87Å; I188-G190 PolarHBondContact O-N 3.29Å; G190-H290 PolarHBondContact O-NE2 2.9Å
191S96.8Very high98Very high0 Ų018.8 Ų18.80%09%0.094CC..SBendtrans-81.8155.4-174.7-69.20000113.9L146 E147 D187 H290 K293L146-S191 WeakPolarHBondContact CB-OG 3Å; E147-S191 WeakPolarHBondContact OE1-CA 3.11Å; E147-S191 WeakPolarHBondContact OE1-CB 3.18Å; E147-S191 PolarHBondContact OE1-OG 3.39Å; E147-S191 PolarHBondContact OE2-OG 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.45Å; D187-S191 PolarHBondContact O-N 3.07Å; D187-S191 PolarHBondContact O-OG 2.7Å; S191-H290 PolarHBondContact O-CD2 3.1Å; S191-K293 PolarHBondContact O-NZ 3.1Å
192D96.4Very high98Very high36 Ų3619 Ų1919%0.19310%0.095CC..  trans-54.1154.2179.188.4-101000111.6E147 E194 R195 M196E147-D192 PolarHBondContact OE1-N 2.61Å; D192-E194 PolarHBondContact O-N 3.45Å; D192-E194 VanDerWaalsContact O-N 3.16Å; D192-E194 WeakPolarHBondContact OD2-CA 3.5Å; D192-E194 WeakPolarHBondContact OD2-CB 3.42Å; D192-E194 PolarHBondContact OD2-N 2.71Å; D192-R195 PolarHBondContact O-N 3.2Å; D192-R195 WeakPolarHBondContact OD1-CB 3.31Å; D192-R195 WeakPolarHBondContact OD1-CD 3.46Å; D192-R195 WeakPolarHBondContact OD1-CG 3.47Å; D192-R195 IonicContact OD1-CZ 3.47Å; D192-R195 IonicContact OD1-NE 3.98Å; D192-R195 IonicContact OD1-NH1 3.37Å; D192-R195 PolarHBondContact OD1-NH1 3.26Å; D192-R195 PolarHBondContact OD2-N 2.82Å; D192-R195 VanDerWaalsContact OD2-N 3.15Å; D192-M196 PolarHBondContact O-N 2.89Å
193P96.9Very high98Very high23 Ų2323 Ų2315%0.14911%0.114CC..THydrogen-bonded Turntrans-72.3-12.1-168.232.5-37.6000113.5M196 A197 T272 F273 H290 R324P193-M196 CarbonylContact O-C 3.6Å; P193-A197 VanDerWaalsContact O-CA 3.31Å; P193-A197 WeakPolarHBondContact O-CA 3.39Å; P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 2.82Å; P193-A197 VanDerWaalsContact O-N 3.11Å; P193-T272 WeakPolarHBondContact CB-O 3.31Å; P193-F273 HydrophobicContact CB-CB 3.77Å; P193-F273 HydrophobicContact CB-CD2 3.7Å; P193-F273 HydrophobicContact CB-CG 4.03Å; P193-F273 HydrophobicContact CG-CD2 3.7Å; P193-F273 HydrophobicContact CG-CE2 4.2Å; P193-F273 HydrophobicContact CG-CG 4.29Å; P193-H290 HydrophobicContact CB-CB 4.21Å; P193-H290 HydrophobicContact CG-CB 4.38Å; P193-R324 VanDerWaalsContact C-NH2 3.32Å; P193-R324 PolarHBondContact O-NH2 3.27Å
194E97.4Very high98Very high74 Ų7425.6 Ų25.635%0.34612%0.123SC..THydrogen-bonded Turntrans-90.6-43.6177.5-60.1-56.214100112D192 M196 R242 H243 R324D192-E194 PolarHBondContact O-N 3.45Å; D192-E194 VanDerWaalsContact O-N 3.16Å; D192-E194 WeakPolarHBondContact OD2-CA 3.5Å; D192-E194 WeakPolarHBondContact OD2-CB 3.42Å; D192-E194 PolarHBondContact OD2-N 2.71Å; E194-M196 VanDerWaalsContact C-N 3.26Å; E194-M196 PolarHBondContact O-N 3.48Å; E194-R242 IonicContact OE1-NH1 3.91Å; E194-R242 PolarHBondContact OE1-NH1 2.81Å; E194-R242 VanDerWaalsContact OE1-NH1 3.08Å; E194-R242 IonicContact OE2-CZ 2.81Å; E194-R242 IonicContact OE2-NH1 3.88Å; E194-R242 PolarHBondContact OE2-NH1 2.83Å; E194-H243 IonicContact OE1-NE2 3.85Å; E194-H243 PolarHBondContact OE1-NE2 3.41Å; E194-H243 IonicContact OE2-NE2 3.75Å; E194-H243 PolarHBondContact OE2-NE2 3.5Å; E194-R324 IonicContact OE1-CZ 2.67Å; E194-R324 IonicContact OE1-NH1 2.96Å; E194-R324 PolarHBondContact OE1-NH1 3.01Å; E194-R324 IonicContact OE1-NH2 3.76Å; E194-R324 PolarHBondContact OE1-NH2 3.16Å; E194-R324 IonicContact OE2-NH2 3.88Å
195R97.6Very high98Very high83 Ų8325.2 Ų25.231%0.31312%0.122SC..THydrogen-bonded Turntrans-60.9-39.5170-77.9179.8179.981.62.6111.9E150 M151 D192 K200E150-R195 WeakPolarHBondContact OE2-CD 3.43Å; E150-R195 IonicContact OE2-CZ 3.99Å; E150-R195 IonicContact OE2-NE 3.27Å; E150-R195 PolarHBondContact OE2-NE 3.4Å; M151-R195 PolarHBondContact SD-NH2 2.88Å; D192-R195 PolarHBondContact O-N 3.2Å; D192-R195 WeakPolarHBondContact OD1-CB 3.31Å; D192-R195 WeakPolarHBondContact OD1-CD 3.46Å; D192-R195 WeakPolarHBondContact OD1-CG 3.47Å; D192-R195 IonicContact OD1-CZ 3.47Å; D192-R195 IonicContact OD1-NE 3.98Å; D192-R195 IonicContact OD1-NH1 3.37Å; D192-R195 PolarHBondContact OD1-NH1 3.26Å; D192-R195 PolarHBondContact OD2-N 2.82Å; D192-R195 VanDerWaalsContact OD2-N 3.15Å; R195-K200 VanDerWaalsContact O-CB 3.29Å; R195-K200 WeakPolarHBondContact O-CB 3.48Å
196M98.1Very high98Very high3 Ų328.5 Ų28.52%0.01514%0.136CC..THydrogen-bonded Turntrans-116.254.4178.5-70.4-66.217400111.1L146 D187 I188 D192 P193 E194 I201 Y204 K293L146-M196 HydrophobicContact CD2-CE 3.38Å; D187-M196 HydrophobicContact CB-CE 4.3Å; D187-M196 WeakPolarHBondContact O-CG 3.28Å; I188-M196 HydrophobicContact CB-SD 4.48Å; I188-M196 HydrophobicContact CG1-CE 4.33Å; I188-M196 HydrophobicContact CG1-SD 4.04Å; D192-M196 PolarHBondContact O-N 2.89Å; P193-M196 CarbonylContact O-C 3.6Å; E194-M196 VanDerWaalsContact C-N 3.26Å; E194-M196 PolarHBondContact O-N 3.48Å; M196-I201 HydrophobicContact CB-CD1 4.19Å; M196-I201 HydrophobicContact CB-CG1 3.87Å; M196-I201 HydrophobicContact CG-CG1 4.38Å; M196-I201 VanDerWaalsContact O-CD1 3.31Å; M196-I201 WeakPolarHBondContact O-CD1 3.49Å; M196-I201 HydrophobicContact SD-CG1 3.69Å; M196-Y204 HydrophobicContact CE-CD1 3.7Å; M196-Y204 HydrophobicContact CE-CD2 4.04Å; M196-Y204 HydrophobicContact CE-CE1 3.93Å; M196-Y204 HydrophobicContact CE-CE2 4.29Å; M196-Y204 HydrophobicContact CE-CG 3.75Å; M196-K293 PolarHBondContact O-NZ 3.47Å
197A98.5Very high97.9Very high2 Ų233.1 Ų33.12%0.01716%0.161CC..  trans-77.9160.3161.600000110.7P193 K200 I201 R242P193-A197 VanDerWaalsContact O-CA 3.31Å; P193-A197 WeakPolarHBondContact O-CA 3.39Å; P193-A197 WeakPolarHBondContact O-CB 3.43Å; P193-A197 PolarHBondContact O-N 2.82Å; P193-A197 VanDerWaalsContact O-N 3.11Å; A197-K200 CarbonylContact O-C 3.59Å; A197-K200 WeakPolarHBondContact O-CA 3.47Å; A197-K200 WeakPolarHBondContact O-CB 3.32Å; A197-K200 PolarHBondContact O-N 3.4Å; A197-I201 WeakPolarHBondContact O-CG1 3.5Å; A197-I201 PolarHBondContact O-N 3.48Å; A197-R242 VanDerWaalsContact CB-O 3.31Å; A197-R242 WeakPolarHBondContact CB-O 3.5Å
198A98.8Very high97.9Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-55.3-45.7-169.800000114.9K200 I201 A202 R246 T272 F322A198-K200 VanDerWaalsContact C-N 3.3Å; A198-K200 PolarHBondContact O-N 2.79Å; A198-I201 PolarHBondContact O-N 3.4Å; A198-A202 PolarHBondContact O-N 2.84Å; A198-A202 VanDerWaalsContact O-N 3.12Å; A198-R246 HydrophobicContact CB-CB 4.42Å; A198-R246 HydrophobicContact CB-CG 4.32Å; A198-T272 HydrophobicContact CB-CG2 4.15Å; A198-F322 HydrophobicContact CB-CB 3.75Å; A198-F322 WeakPolarHBondContact CB-O 3.46Å
199P98.7Very high97.9Very high32 Ų3233.8 Ų33.821%0.20817%0.167CC..Hα-helixtrans-62.2-36.1174.4-23.535.2000113.3A202 E203 R242 D244P199-A202 PolarHBondContact O-N 3.21Å; P199-E203 PolarHBondContact O-N 3.37Å; P199-E203 VanDerWaalsContact O-N 3.15Å; P199-R242 WeakPolarHBondContact CD-O 3.03Å; P199-D244 WeakPolarHBondContact CD-O 3.38Å
200K98.6Very high97.8Very high106 Ų10637.8 Ų37.846%0.46119%0.188SC..Hα-helixtrans-74.4-36.7179.9-74.1-67.5177.2-1700112.9R195 A197 A198 A202 E203 Y204R195-K200 VanDerWaalsContact O-CB 3.29Å; R195-K200 WeakPolarHBondContact O-CB 3.48Å; A197-K200 CarbonylContact O-C 3.59Å; A197-K200 WeakPolarHBondContact O-CA 3.47Å; A197-K200 WeakPolarHBondContact O-CB 3.32Å; A197-K200 PolarHBondContact O-N 3.4Å; A198-K200 VanDerWaalsContact C-N 3.3Å; A198-K200 PolarHBondContact O-N 2.79Å; K200-A202 VanDerWaalsContact C-N 3.31Å; K200-A202 PolarHBondContact O-N 3.39Å; K200-E203 WeakPolarHBondContact CD-OE2 3.23Å; K200-E203 IonicContact NZ-OE2 2.61Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å; K200-E203 PolarHBondContact O-N 2.73Å; K200-Y204 WeakPolarHBondContact O-CB 3.36Å; K200-Y204 PolarHBondContact O-N 3.29Å
201I98.8Very high97.7Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-61-43.7171-65.4169000110.1I188 M196 A197 A198 E203 Y204 L205 T272 K293 F322I188-I201 HydrophobicContact CD1-CG2 4.18Å; I188-I201 HydrophobicContact CG1-CG2 4.39Å; I188-I201 HydrophobicContact CG2-CD1 4.03Å; I188-I201 HydrophobicContact CG2-CG1 4.19Å; I188-I201 HydrophobicContact CG2-CG2 4.14Å; M196-I201 HydrophobicContact CB-CD1 4.19Å; M196-I201 HydrophobicContact CB-CG1 3.87Å; M196-I201 HydrophobicContact CG-CG1 4.38Å; M196-I201 VanDerWaalsContact O-CD1 3.31Å; M196-I201 WeakPolarHBondContact O-CD1 3.49Å; M196-I201 HydrophobicContact SD-CG1 3.69Å; A197-I201 WeakPolarHBondContact O-CG1 3.5Å; A197-I201 PolarHBondContact O-N 3.48Å; A198-I201 PolarHBondContact O-N 3.4Å; I201-E203 PolarHBondContact O-N 2.95Å; I201-Y204 WeakPolarHBondContact O-CB 3.4Å; I201-Y204 PolarHBondContact O-N 2.82Å; I201-L205 HydrophobicContact CG2-CD1 3.82Å; I201-L205 HydrophobicContact CG2-CG 4.1Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.4Å; I201-L205 PolarHBondContact O-N 2.7Å; I201-T272 HydrophobicContact CD1-CG2 3.72Å; I201-K293 HydrophobicContact CD1-CD 4.25Å; I201-F322 HydrophobicContact CB-CD1 4.47Å; I201-F322 HydrophobicContact CB-CG 4.44Å; I201-F322 HydrophobicContact CD1-CD1 3.6Å; I201-F322 HydrophobicContact CD1-CE1 3.99Å; I201-F322 HydrophobicContact CD1-CG 4.2Å; I201-F322 HydrophobicContact CG2-CD1 3.95Å; I201-F322 HydrophobicContact CG2-CD2 3.89Å; I201-F322 HydrophobicContact CG2-CE1 3.69Å; I201-F322 HydrophobicContact CG2-CE2 3.62Å; I201-F322 HydrophobicContact CG2-CG 4.04Å; I201-F322 HydrophobicContact CG2-CZ 3.52Å
202A98.7Very high97.6Very high3 Ų341.4 Ų41.43%0.02522%0.219CC..Hα-helixtrans-60.9-45.1178.400000112.4A198 P199 K200 L205 Q206 V219 R246 V248A198-A202 PolarHBondContact O-N 2.84Å; A198-A202 VanDerWaalsContact O-N 3.12Å; P199-A202 PolarHBondContact O-N 3.21Å; K200-A202 VanDerWaalsContact C-N 3.31Å; K200-A202 PolarHBondContact O-N 3.39Å; A202-L205 PolarHBondContact O-N 3.17Å; A202-Q206 WeakPolarHBondContact O-CB 3.38Å; A202-Q206 WeakPolarHBondContact O-CG 3.36Å; A202-Q206 PolarHBondContact O-N 3.48Å; A202-V219 HydrophobicContact CB-CG1 3.62Å; A202-V219 HydrophobicContact CB-CG2 4.11Å; A202-R246 HydrophobicContact CB-CB 4.4Å; A202-R246 HydrophobicContact CB-CG 4.18Å; A202-V248 HydrophobicContact CB-CG2 4.16Å
203E98.3Very high97.5Very high88 Ų8845.1 Ų45.141%0.41123%0.233SC..Hα-helixtrans-58.7-45.9172.9-175.9-175.4172.300111.3P199 K200 I201 L205 Q206 N207P199-E203 PolarHBondContact O-N 3.37Å; P199-E203 VanDerWaalsContact O-N 3.15Å; K200-E203 WeakPolarHBondContact CD-OE2 3.23Å; K200-E203 IonicContact NZ-OE2 2.61Å; K200-E203 PolarHBondContact NZ-OE2 3.03Å; K200-E203 PolarHBondContact O-N 2.73Å; I201-E203 PolarHBondContact O-N 2.95Å; E203-L205 PolarHBondContact O-N 3.05Å; E203-Q206 PolarHBondContact O-N 2.86Å; E203-N207 WeakPolarHBondContact O-CB 3.39Å; E203-N207 VanDerWaalsContact O-CG 3.3Å; E203-N207 PolarHBondContact O-N 2.89Å; E203-N207 PolarHBondContact O-ND2 2.83Å
204Y98.2Very high97.5Very high62 Ų6245.4 Ų45.424%0.24324%0.241CC..Hα-helixtrans-61.1-45178.9-162.8-110.6000112.2L184 D187 I188 M196 K200 I201 N207 A208L184-Y204 HydrophobicContact CD1-CD1 3.55Å; L184-Y204 HydrophobicContact CD1-CE1 3.38Å; D187-Y204 HydrophobicContact CB-CE1 3.81Å; D187-Y204 PolarHBondContact OD2-OH 2.77Å; I188-Y204 HydrophobicContact CD1-CD1 4.35Å; I188-Y204 HydrophobicContact CG1-CD1 4.03Å; I188-Y204 HydrophobicContact CG1-CE1 4.47Å; M196-Y204 HydrophobicContact CE-CD1 3.7Å; M196-Y204 HydrophobicContact CE-CD2 4.04Å; M196-Y204 HydrophobicContact CE-CE1 3.93Å; M196-Y204 HydrophobicContact CE-CE2 4.29Å; M196-Y204 HydrophobicContact CE-CG 3.75Å; K200-Y204 WeakPolarHBondContact O-CB 3.36Å; K200-Y204 PolarHBondContact O-N 3.29Å; I201-Y204 WeakPolarHBondContact O-CB 3.4Å; I201-Y204 PolarHBondContact O-N 2.82Å; Y204-N207 PolarHBondContact O-N 3.06Å; Y204-A208 VanDerWaalsContact O-CB 3.32Å; Y204-A208 WeakPolarHBondContact O-CB 3.47Å; Y204-A208 PolarHBondContact O-N 2.98Å
205L98.6Very high97.5Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-65-44.7177.5-72176.2000112L184 I188 I201 A202 E203 N207 A208 L209 V248 A300 L320 F322L184-L205 HydrophobicContact CD1-CD2 4.25Å; L184-L205 HydrophobicContact CD2-CD2 4.24Å; I188-L205 HydrophobicContact CD1-CD2 3.55Å; I188-L205 HydrophobicContact CD1-CG 4.09Å; I201-L205 HydrophobicContact CG2-CD1 3.82Å; I201-L205 HydrophobicContact CG2-CG 4.1Å; I201-L205 WeakPolarHBondContact O-CB 3.43Å; I201-L205 VanDerWaalsContact O-CG 3.29Å; I201-L205 WeakPolarHBondContact O-CG 3.4Å; I201-L205 PolarHBondContact O-N 2.7Å; A202-L205 PolarHBondContact O-N 3.17Å; E203-L205 PolarHBondContact O-N 3.05Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.3Å; L205-A208 PolarHBondContact O-N 2.86Å; L205-L209 HydrophobicContact CB-CD1 4.38Å; L205-L209 HydrophobicContact CD2-CD1 4.13Å; L205-L209 VanDerWaalsContact O-CB 3.23Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.44Å; L205-V248 HydrophobicContact CD1-CB 4.42Å; L205-V248 HydrophobicContact CD1-CG1 3.97Å; L205-V248 HydrophobicContact CD1-CG2 4.41Å; L205-A300 HydrophobicContact CD2-CB 3.48Å; L205-A300 VanDerWaalsContact CD2-CB 3.48Å; L205-L320 HydrophobicContact CD1-CD1 4.25Å; L205-F322 HydrophobicContact CD1-CE2 3.57Å; L205-F322 HydrophobicContact CD1-CZ 3.98Å
206Q98.2Very high97.6Very high71 Ų7142.7 Ų42.733%0.33224%0.238SC..Hα-helixtrans-57.6-46174.8-76.3178.5-38.600110.7A202 E203 A208 N210 V217 V219A202-Q206 WeakPolarHBondContact O-CB 3.38Å; A202-Q206 WeakPolarHBondContact O-CG 3.36Å; A202-Q206 PolarHBondContact O-N 3.48Å; E203-Q206 PolarHBondContact O-N 2.86Å; Q206-A208 PolarHBondContact O-N 3.45Å; Q206-N210 WeakPolarHBondContact O-CB 3.5Å; Q206-N210 PolarHBondContact O-N 3.49Å; Q206-N210 PolarHBondContact O-ND2 3Å; Q206-V217 HydrophobicContact CG-CG1 4.06Å; Q206-V219 HydrophobicContact CG-CG2 4Å
207N97.4Very high97.6Very high98 Ų9843.4 Ų43.452%0.52424%0.243SC..Hα-helixtrans-65-36.5178.1-71.1-25.7000113.5E203 Y204 L205E203-N207 WeakPolarHBondContact O-CB 3.39Å; E203-N207 VanDerWaalsContact O-CG 3.3Å; E203-N207 PolarHBondContact O-N 2.89Å; E203-N207 PolarHBondContact O-ND2 2.83Å; Y204-N207 PolarHBondContact O-N 3.06Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.3Å
208A97.8Very high97.6Very high15 Ų1546.2 Ų46.212%0.12426%0.26CS..Hα-helixtrans-80.1-30.6-177.100000113.8L184 Y204 L205 Q206 K304L184-A208 HydrophobicContact CD1-CB 3.91Å; L184-A208 HydrophobicContact CD2-CB 4.18Å; Y204-A208 VanDerWaalsContact O-CB 3.32Å; Y204-A208 WeakPolarHBondContact O-CB 3.47Å; Y204-A208 PolarHBondContact O-N 2.98Å; L205-A208 PolarHBondContact O-N 2.86Å; Q206-A208 PolarHBondContact O-N 3.45Å; A208-K304 PolarHBondContact O-NZ 2.97Å
209L98Very high97.6Very high0 Ų048.1 Ų48.10%027%0.271CS..Hα-helixtrans-111-28-169.7-59.6176.3000113.6L184 L205 G211 L212 V215 V217 V250 K304L184-L209 HydrophobicContact CD2-CD2 4.16Å; L205-L209 HydrophobicContact CB-CD1 4.38Å; L205-L209 HydrophobicContact CD2-CD1 4.13Å; L205-L209 VanDerWaalsContact O-CB 3.23Å; L205-L209 WeakPolarHBondContact O-CB 3.44Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.44Å; L209-G211 PolarHBondContact O-N 3.2Å; L209-L212 HydrophobicContact CD2-CD1 3.93Å; L209-L212 WeakPolarHBondContact O-CB 3.41Å; L209-L212 WeakPolarHBondContact O-CG 3.27Å; L209-L212 PolarHBondContact O-N 3.33Å; L209-L212 VanDerWaalsContact O-N 3.1Å; L209-V215 HydrophobicContact CB-CG1 4.36Å; L209-V217 HydrophobicContact CB-CG2 3.63Å; L209-V217 HydrophobicContact CD1-CG2 3.97Å; L209-V217 HydrophobicContact CG-CG2 4.46Å; L209-V250 HydrophobicContact CD1-CG1 3.9Å; L209-V250 HydrophobicContact CD1-CG2 4.04Å; L209-K304 HydrophobicContact CD2-CB 3.79Å; L209-K304 HydrophobicContact CD2-CD 4.1Å
210N95.3Very high97.6Very high83 Ų8349.8 Ų49.844%0.44428%0.279SS..THydrogen-bonded Turntrans-61.5131.8178.1-72.2-17000110.5Q206Q206-N210 WeakPolarHBondContact O-CB 3.5Å; Q206-N210 PolarHBondContact O-N 3.49Å; Q206-N210 PolarHBondContact O-ND2 3Å
211G93.8Very high97.6Very high63 Ų6351 Ų5165%0.64928%0.284SS*.THydrogen-bonded Turntrans90.5-8.1-177.400000114.5L209 K213L209-G211 PolarHBondContact O-N 3.2Å; G211-K213 PolarHBondContact O-N 3.45Å
212L96.4Very high97.6Very high27 Ų2752 Ų5214%0.14129%0.29CS..  trans-69.2124166.4-63.7178.2000109.2L209 G214 V215 K304 L308L209-L212 HydrophobicContact CD2-CD1 3.93Å; L209-L212 WeakPolarHBondContact O-CB 3.41Å; L209-L212 WeakPolarHBondContact O-CG 3.27Å; L209-L212 PolarHBondContact O-N 3.33Å; L209-L212 VanDerWaalsContact O-N 3.1Å; L212-G214 PolarHBondContact O-N 2.94Å; L212-V215 HydrophobicContact CB-CB 4.04Å; L212-V215 HydrophobicContact CB-CG2 3.94Å; L212-V215 WeakPolarHBondContact O-CB 3.43Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-V215 VanDerWaalsContact O-N 3.07Å; L212-K304 HydrophobicContact CD1-CD 3.59Å; L212-L308 HydrophobicContact CD2-CD2 3.78Å; L212-L308 HydrophobicContact CD2-CG 4.33Å
213K94.5Very high97.6Very high114 Ų11454.6 Ų54.650%0.49630%0.304SS..THydrogen-bonded Turntrans-67.1132.1-173.8163.5-172.3-171.4-149.70110.4G211 V215 S255 Q310G211-K213 PolarHBondContact O-N 3.45Å; K213-V215 VanDerWaalsContact C-N 3.27Å; K213-S255 WeakPolarHBondContact CE-OG 3.21Å; K213-S255 PolarHBondContact NZ-OG 2.87Å; K213-Q310 VanDerWaalsContact CG-NE2 3.29Å; K213-Q310 PolarHBondContact O-NE2 3.32Å
214G95.9Very high97.6Very high30 Ų3053.4 Ų53.431%0.30931%0.309SS..THydrogen-bonded Turntrans84.4-8-175.100000114.4L212 Y252 K253L212-G214 PolarHBondContact O-N 2.94Å; G214-Y252 VanDerWaalsContact O-CA 3.28Å; G214-Y252 WeakPolarHBondContact O-CA 3.41Å; G214-K253 VanDerWaalsContact CA-O 3.23Å; G214-K253 WeakPolarHBondContact CA-O 3.3Å; G214-K253 PolarHBondContact O-N 3.26Å
215V98Very high97.6Very high16 Ų1659.7 Ų59.710%0.09734%0.337CS..EExtended strand (participates in β ladder)trans-100.1130.8-179.4-178.40000110.9L209 L212 K213 V217 V250 D251 Y252L209-V215 HydrophobicContact CB-CG1 4.36Å; L212-V215 HydrophobicContact CB-CB 4.04Å; L212-V215 HydrophobicContact CB-CG2 3.94Å; L212-V215 WeakPolarHBondContact O-CB 3.43Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-V215 VanDerWaalsContact O-N 3.07Å; K213-V215 VanDerWaalsContact C-N 3.27Å; V215-V217 HydrophobicContact CG1-CG2 4.43Å; V215-V250 HydrophobicContact CG1-CG1 3.77Å; V215-D251 CarbonylContact C-O 3.29Å; V215-D251 VanDerWaalsContact CA-O 3.26Å; V215-D251 WeakPolarHBondContact CA-O 3.32Å; V215-Y252 HydrophobicContact CG2-CD2 4.07Å
216T98.3Very high97.5Very high83 Ų8364 Ų6451%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-121.8132.2172.2-58.70000109.3V250 D251T216-V250 WeakPolarHBondContact O-CA 3.21Å; T216-D251 PolarHBondContact N-O 2.93Å; T216-D251 PolarHBondContact O-N 2.92Å
217V98.6Very high97.6Very high19 Ų1960.9 Ų60.912%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-113124.4175.7-175.70000109.5Q206 L209 V215 V219 V248 H249 V250Q206-V217 HydrophobicContact CG-CG1 4.06Å; L209-V217 HydrophobicContact CB-CG2 3.63Å; L209-V217 HydrophobicContact CD1-CG2 3.97Å; L209-V217 HydrophobicContact CG-CG2 4.46Å; V215-V217 HydrophobicContact CG1-CG2 4.43Å; V217-V219 HydrophobicContact CG1-CG2 4.14Å; V217-V248 HydrophobicContact CG1-CG1 3.97Å; V217-H249 WeakPolarHBondContact CA-O 3.12Å; V217-V250 HydrophobicContact CG2-CG1 4.33Å; V217-V250 HydrophobicContact CG2-CG2 4.49Å
218T98.6Very high97.6Very high61 Ų6157.3 Ų57.337%0.37432%0.324SS..EExtended strand (participates in β ladder)trans-117.1136.2171.5-52.10000108.9V248 H249T218-V248 CarbonylContact O-C 3.54Å; T218-V248 WeakPolarHBondContact O-CA 3.48Å; T218-H249 PolarHBondContact N-O 3.12Å; T218-H249 PolarHBondContact O-N 2.87Å
219V98.7Very high97.7Very high39 Ų3956.6 Ų56.624%0.23632%0.318CS..EExtended strand (participates in β ladder)trans-127.8122.2-179.1179.60000108.4A202 Q206 V217 R246 V248A202-V219 HydrophobicContact CB-CG1 3.62Å; A202-V219 HydrophobicContact CB-CG2 4.11Å; Q206-V219 HydrophobicContact CG-CG2 4Å; V217-V219 HydrophobicContact CG1-CG2 4.14Å; V219-R246 HydrophobicContact CG1-CB 4.41Å; V219-R246 HydrophobicContact CG1-CG 4.4Å; V219-V248 HydrophobicContact CG1-CG2 4.38Å; V219-V248 HydrophobicContact CG2-CG1 4.28Å; V219-V248 HydrophobicContact CG2-CG2 4.17Å
220D98.5Very high97.7Very high68 Ų6856.6 Ų56.636%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-122.6155.8174.6-71.2-60.7000110.7R246 V247D220-R246 WeakPolarHBondContact O-CA 3.3Å; D220-R246 WeakPolarHBondContact O-CD 3.17Å; D220-V247 PolarHBondContact N-O 3.45Å; D220-V247 PolarHBondContact O-N 2.92Å
221K98.5Very high97.9Very high130 Ų13053.6 Ų53.657%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-68.6158.2160.8-64.5-163.9171.2-158.60109.7D223 D244K221-D223 PolarHBondContact O-N 3.47Å; K221-D244 WeakPolarHBondContact CD-OD2 3.32Å; K221-D244 WeakPolarHBondContact CE-OD2 3.35Å; K221-D244 IonicContact NZ-OD2 3.7Å; K221-D244 PolarHBondContact NZ-OD2 2.9Å; K221-D244 VanDerWaalsContact NZ-OD2 3.14Å
222V98.7Very high98.1Very high21 Ų2150.8 Ų50.813%0.12728%0.275CS..  trans-63.6111.6173.8-1770000109.8M230 A231 N234 V247 V323V222-M230 HydrophobicContact CB-SD 4.47Å; V222-M230 HydrophobicContact CG1-CB 4.3Å; V222-M230 HydrophobicContact CG1-CG 4.01Å; V222-M230 HydrophobicContact CG1-SD 3.92Å; V222-M230 HydrophobicContact CG2-CG 4.38Å; V222-M230 HydrophobicContact CG2-SD 3.8Å; V222-A231 HydrophobicContact CG1-CB 3.9Å; V222-N234 HydrophobicContact CG1-CB 4.49Å; V222-N234 HydrophobicContact CG2-CB 4.37Å; V222-V247 HydrophobicContact CG2-CG2 4.33Å; V222-V323 HydrophobicContact CG2-CG2 4.25Å
223D98.3Very high98.2Very high59 Ų5949.6 Ų49.632%0.31627%0.268SS..  trans-92112175.3178.7-8.1000110K221 K225 K226 Y227K221-D223 PolarHBondContact O-N 3.47Å; D223-K225 PolarHBondContact O-N 2.75Å; D223-K225 VanDerWaalsContact O-N 3.16Å; D223-K225 WeakPolarHBondContact OD1-CB 3.47Å; D223-K225 PolarHBondContact OD1-N 3.07Å; D223-K226 HydrophobicContact CB-CB 4.18Å; D223-K226 HydrophobicContact CB-CD 4.17Å; D223-K226 HydrophobicContact CB-CG 4.25Å; D223-K226 PolarHBondContact O-N 2.87Å; D223-K226 WeakPolarHBondContact OD2-CD 3.41Å; D223-K226 WeakPolarHBondContact OD2-CE 3.38Å; D223-K226 WeakPolarHBondContact OD2-CG 3.34Å; D223-Y227 PolarHBondContact O-N 3.43Å
224A98.3Very high98.4Very high62 Ų6244.4 Ų44.451%0.51225%0.246SC..THydrogen-bonded Turntrans-61.5-21.4-17900000114.3P228 A231A224-P228 WeakPolarHBondContact O-CA 3.45Å; A224-A231 HydrophobicContact CB-CB 3.63Å
225K98.3Very high98.6Very high195 Ų19546.6 Ų46.685%0.84825%0.245SC*.THydrogen-bonded Turntrans-77.3-33.1174.1-63.2-177.8-179.7178.70111.9D223D223-K225 PolarHBondContact O-N 2.75Å; D223-K225 VanDerWaalsContact O-N 3.16Å; D223-K225 WeakPolarHBondContact OD1-CB 3.47Å; D223-K225 PolarHBondContact OD1-N 3.07Å
226K98.4Very high98.6Very high90 Ų9046.1 Ų46.139%0.39124%0.243SC..THydrogen-bonded Turntrans-88.1-36.8-179.3-67.8179-174.6176.70112.6D223 R341D223-K226 HydrophobicContact CB-CB 4.18Å; D223-K226 HydrophobicContact CB-CD 4.17Å; D223-K226 HydrophobicContact CB-CG 4.25Å; D223-K226 PolarHBondContact O-N 2.87Å; D223-K226 WeakPolarHBondContact OD2-CD 3.41Å; D223-K226 WeakPolarHBondContact OD2-CE 3.38Å; D223-K226 WeakPolarHBondContact OD2-CG 3.34Å; K226-R341 PolarHBondContact O-NH1 2.98Å
227Y98.8Very high98.6Very high5 Ų542.2 Ų42.22%0.0222%0.219CC..  trans-133.162.5-172.4-45.1-67.1000111.5D223 L229 M230 A231 V247 H249 D361 L362 E365D223-Y227 PolarHBondContact O-N 3.43Å; Y227-L229 PolarHBondContact O-N 2.83Å; Y227-M230 HydrophobicContact CG-CE 4.28Å; Y227-M230 PolarHBondContact O-N 2.99Å; Y227-A231 WeakPolarHBondContact O-CB 3.36Å; Y227-A231 PolarHBondContact O-N 3.27Å; Y227-V247 HydrophobicContact CD2-CG2 3.86Å; Y227-V247 HydrophobicContact CE2-CB 4.31Å; Y227-V247 HydrophobicContact CE2-CG1 4.15Å; Y227-V247 HydrophobicContact CE2-CG2 3.84Å; Y227-H249 PolarHBondContact OH-CE1 2.8Å; Y227-D361 VanDerWaalsContact CA-OD2 3.3Å; Y227-D361 WeakPolarHBondContact CA-OD2 3.46Å; Y227-D361 HydrophobicContact CD1-CB 3.82Å; Y227-D361 HydrophobicContact CG-CB 4.47Å; Y227-L362 HydrophobicContact CD1-CD2 4.2Å; Y227-L362 HydrophobicContact CD1-CG 4.43Å; Y227-L362 HydrophobicContact CE1-CD2 3.63Å; Y227-L362 HydrophobicContact CE1-CG 4.32Å; Y227-E365 WeakPolarHBondContact CE1-OE2 3.33Å; Y227-E365 PolarHBondContact OH-OE2 2.92Å
228P98.8Very high98.5Very high24 Ų2443.7 Ų43.716%0.15623%0.231CC..Hα-helixtrans-58.9-39.4-174.823-34.9000114.6A224 A231 A232 I338 I339 D361A224-P228 WeakPolarHBondContact O-CA 3.45Å; P228-A231 PolarHBondContact O-N 3.35Å; P228-A232 PolarHBondContact O-N 3.33Å; P228-A232 VanDerWaalsContact O-N 3.12Å; P228-I338 HydrophobicContact CB-CG2 4.28Å; P228-I339 VanDerWaalsContact CB-O 3.26Å; P228-I339 WeakPolarHBondContact CB-O 3.43Å; P228-I339 WeakPolarHBondContact CG-O 3.25Å; P228-D361 WeakPolarHBondContact CD-OD2 3.31Å; P228-D361 VanDerWaalsContact N-OD2 3.09Å
229L98.9Very high98.5Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-69.4-40.8178-59.3-179.5000111.1Y227 A232 V233 I338 A340 V346 M357 A360 D361Y227-L229 PolarHBondContact O-N 2.83Å; L229-A232 WeakPolarHBondContact O-CB 3.4Å; L229-A232 PolarHBondContact O-N 3.25Å; L229-V233 PolarHBondContact O-N 3.49Å; L229-I338 HydrophobicContact CD2-CB 3.89Å; L229-I338 HydrophobicContact CD2-CG2 3.78Å; L229-A340 HydrophobicContact CD1-CB 3.62Å; L229-A340 HydrophobicContact CD2-CB 4.21Å; L229-A340 HydrophobicContact CG-CB 3.93Å; L229-V346 HydrophobicContact CD1-CG2 4.39Å; L229-V346 HydrophobicContact CD2-CB 4.11Å; L229-V346 HydrophobicContact CD2-CG2 4.17Å; L229-M357 HydrophobicContact CB-CB 4.32Å; L229-M357 HydrophobicContact CB-CE 3.87Å; L229-M357 WeakPolarHBondContact CB-O 3.38Å; L229-M357 HydrophobicContact CD1-CE 4.47Å; L229-M357 HydrophobicContact CD2-CE 3.48Å; L229-M357 VanDerWaalsContact CD2-CE 3.48Å; L229-M357 HydrophobicContact CD2-SD 4.42Å; L229-M357 HydrophobicContact CG-CE 4.11Å; L229-A360 HydrophobicContact CD1-CB 3.57Å; L229-D361 WeakPolarHBondContact CA-OD2 3.29Å; L229-D361 VanDerWaalsContact CB-OD2 3.29Å; L229-D361 WeakPolarHBondContact CB-OD2 3.23Å; L229-D361 PolarHBondContact N-OD2 2.84Å
230M98.8Very high98.4Very high0 Ų045.6 Ų45.60%024%0.242CC..Hα-helixtrans-65.2-41.1174.7-172.5-167.9-60.300111.7V222 Y227 A232 V233 N234 V247 A321 V323 V358 D361 L362V222-M230 HydrophobicContact CB-SD 4.47Å; V222-M230 HydrophobicContact CG1-CB 4.3Å; V222-M230 HydrophobicContact CG1-CG 4.01Å; V222-M230 HydrophobicContact CG1-SD 3.92Å; V222-M230 HydrophobicContact CG2-CG 4.38Å; V222-M230 HydrophobicContact CG2-SD 3.8Å; Y227-M230 HydrophobicContact CG-CE 4.28Å; Y227-M230 PolarHBondContact O-N 2.99Å; M230-A232 VanDerWaalsContact C-N 3.26Å; M230-A232 PolarHBondContact O-N 2.85Å; M230-V233 PolarHBondContact O-N 3.27Å; M230-N234 WeakPolarHBondContact O-CB 3.04Å; M230-N234 PolarHBondContact O-N 2.68Å; M230-V247 HydrophobicContact CE-CG2 3.89Å; M230-V247 HydrophobicContact SD-CG2 3.48Å; M230-V247 WeakPolarHBondContact SD-CG2 3.5Å; M230-A321 HydrophobicContact CE-CB 3.61Å; M230-A321 HydrophobicContact SD-CB 4.28Å; M230-V323 HydrophobicContact CG-CG2 3.72Å; M230-V323 HydrophobicContact SD-CG2 4.07Å; M230-V358 HydrophobicContact CB-CB 4.47Å; M230-V358 WeakPolarHBondContact CE-O 3.38Å; M230-V358 HydrophobicContact CG-CB 4.02Å; M230-V358 HydrophobicContact CG-CG1 4.08Å; M230-D361 PolarHBondContact N-OD2 3.34Å; M230-L362 HydrophobicContact CE-CD1 3.62Å; M230-L362 HydrophobicContact CE-CD2 4.47Å; M230-L362 HydrophobicContact CE-CG 3.7Å
231A98.8Very high98.4Very high20 Ų2047.4 Ų47.417%0.16526%0.257CS..Hα-helixtrans-63.6-32.5178.700000112.4V222 A224 Y227 P228 N234 R235V222-A231 HydrophobicContact CG1-CB 3.9Å; A224-A231 HydrophobicContact CB-CB 3.63Å; Y227-A231 WeakPolarHBondContact O-CB 3.36Å; Y227-A231 PolarHBondContact O-N 3.27Å; P228-A231 PolarHBondContact O-N 3.35Å; A231-N234 CarbonylContact O-C 3.46Å; A231-N234 PolarHBondContact O-N 3.44Å; A231-R235 PolarHBondContact O-N 2.72Å
232A98.7Very high98.4Very high3 Ų348 Ų483%0.02526%0.256CS..Hα-helixtrans-61.3-49172.900000112P228 L229 M230 N234 R235 Y332 I338P228-A232 PolarHBondContact O-N 3.33Å; P228-A232 VanDerWaalsContact O-N 3.12Å; L229-A232 WeakPolarHBondContact O-CB 3.4Å; L229-A232 PolarHBondContact O-N 3.25Å; M230-A232 VanDerWaalsContact C-N 3.26Å; M230-A232 PolarHBondContact O-N 2.85Å; A232-N234 VanDerWaalsContact C-N 3.28Å; A232-N234 PolarHBondContact O-N 3.01Å; A232-R235 VanDerWaalsContact O-CB 3.24Å; A232-R235 WeakPolarHBondContact O-CB 3.37Å; A232-R235 PolarHBondContact O-N 2.8Å; A232-R235 VanDerWaalsContact O-N 3.16Å; A232-Y332 HydrophobicContact CB-CD2 4.13Å; A232-Y332 HydrophobicContact CB-CG 4.18Å; A232-Y332 WeakPolarHBondContact O-CD1 3.16Å; A232-I338 HydrophobicContact CB-CD1 3.26Å
233V98.8Very high98.4Very high2 Ų247.5 Ų47.51%0.01225%0.252CS..Hα-helixtrans-62.1-38.5175.7-176.70000111.3L229 M230 R235 I271 V323 N325 Y332 E354 M357 V358L229-V233 PolarHBondContact O-N 3.49Å; M230-V233 PolarHBondContact O-N 3.27Å; V233-R235 VanDerWaalsContact C-N 3.27Å; V233-R235 PolarHBondContact O-N 3.27Å; V233-I271 HydrophobicContact CG1-CD1 4.38Å; V233-V323 HydrophobicContact CB-CG1 4.28Å; V233-V323 HydrophobicContact CG1-CG1 3.87Å; V233-N325 HydrophobicContact CG1-CB 4.04Å; V233-Y332 HydrophobicContact CB-CE1 4.33Å; V233-Y332 HydrophobicContact CG2-CE1 4.13Å; V233-Y332 HydrophobicContact CG2-CE2 4.46Å; V233-E354 HydrophobicContact CG1-CB 3.79Å; V233-E354 HydrophobicContact CG1-CG 4.19Å; V233-E354 HydrophobicContact CG2-CB 3.94Å; V233-M357 HydrophobicContact CG2-CB 3.8Å; V233-V358 HydrophobicContact CB-CG1 3.78Å; V233-V358 HydrophobicContact CG1-CG1 3.87Å; V233-V358 HydrophobicContact CG2-CG1 3.8Å
234N98.7Very high98.4Very high6 Ų645.4 Ų45.43%0.03224%0.241CC..Hα-helixtrans-74.7-10.2179.5-166.451.8000113.6V222 M230 A231 A232 A236 A237 S238 D244 G245 V323V222-N234 HydrophobicContact CG1-CB 4.49Å; V222-N234 HydrophobicContact CG2-CB 4.37Å; M230-N234 WeakPolarHBondContact O-CB 3.04Å; M230-N234 PolarHBondContact O-N 2.68Å; A231-N234 CarbonylContact O-C 3.46Å; A231-N234 PolarHBondContact O-N 3.44Å; A232-N234 VanDerWaalsContact C-N 3.28Å; A232-N234 PolarHBondContact O-N 3.01Å; N234-A236 PolarHBondContact O-N 2.87Å; N234-A237 CarbonylContact O-C 3.56Å; N234-A237 PolarHBondContact O-N 3.21Å; N234-S238 VanDerWaalsContact O-CB 3.28Å; N234-S238 WeakPolarHBondContact O-CB 3.31Å; N234-S238 PolarHBondContact O-N 3.26Å; N234-D244 PolarHBondContact ND2-OD1 3.07Å; N234-G245 PolarHBondContact ND2-N 2.73Å; N234-G245 VanDerWaalsContact OD1-CA 3.29Å; N234-G245 WeakPolarHBondContact OD1-CA 3.23Å; N234-G245 PolarHBondContact OD1-N 3.21Å; N234-V323 HydrophobicContact CB-CG1 3.77Å
235R98.3Very high98.4Very high75 Ų7542.4 Ų42.428%0.28322%0.216SC..Hα-helixtrans-56.4-52.6-166.6-164-167.7-64.3155.8-0.3112.2A231 A232 V233 A237 S238 E330 E336A231-R235 PolarHBondContact O-N 2.72Å; A232-R235 VanDerWaalsContact O-CB 3.24Å; A232-R235 WeakPolarHBondContact O-CB 3.37Å; A232-R235 PolarHBondContact O-N 2.8Å; A232-R235 VanDerWaalsContact O-N 3.16Å; V233-R235 VanDerWaalsContact C-N 3.27Å; V233-R235 PolarHBondContact O-N 3.27Å; R235-A237 PolarHBondContact O-N 3.2Å; R235-S238 PolarHBondContact O-N 2.93Å; R235-S238 PolarHBondContact O-OG 2.84Å; R235-E330 CarbonylContact C-O 3.38Å; R235-E330 WeakPolarHBondContact CB-O 3.36Å; R235-E330 WeakPolarHBondContact CD-O 3.48Å; R235-E330 HydrophobicContact CG-CB 4.13Å; R235-E330 WeakPolarHBondContact CG-O 3.48Å; R235-E336 IonicContact CZ-OE1 3.07Å; R235-E336 IonicContact CZ-OE2 3.75Å; R235-E336 IonicContact NH1-OE1 2.76Å; R235-E336 PolarHBondContact NH1-OE1 3.32Å; R235-E336 IonicContact NH1-OE2 2.88Å; R235-E336 PolarHBondContact NH1-OE2 3.36Å; R235-E336 IonicContact NH2-OE1 3.51Å; R235-E336 IonicContact NH2-OE2 3.7Å; R235-E336 PolarHBondContact NH2-OE2 3.39Å
236A98.3Very high98.4Very high7 Ų734.8 Ų34.86%0.05818%0.182CC..Hα-helixtrans-68.8-29.3176.100000114N234 V239 S326 E330N234-A236 PolarHBondContact O-N 2.87Å; A236-V239 WeakPolarHBondContact O-CG2 3.38Å; A236-S326 WeakPolarHBondContact CB-O 3.37Å; A236-E330 PolarHBondContact N-O 3.11Å
237A98.3Very high98.5Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-77.1-30.5177.200000112.5N234 R235 V239 V240 H243 D244 R324N234-A237 CarbonylContact O-C 3.56Å; N234-A237 PolarHBondContact O-N 3.21Å; R235-A237 PolarHBondContact O-N 3.2Å; A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 PolarHBondContact O-N 2.56Å; A237-V240 PolarHBondContact O-N 2.69Å; A237-H243 HydrophobicContact CB-CB 4.15Å; A237-D244 PolarHBondContact O-N 3.19Å; A237-R324 HydrophobicContact CB-CB 4.06Å; A237-R324 WeakPolarHBondContact CB-O 3.3Å
238S98Very high98.5Very high51 Ų5130.3 Ų30.336%0.35716%0.163SC..Hα-helixtrans-66.4-27.2-172.972.40000113.6N234 R235 V240N234-S238 VanDerWaalsContact O-CB 3.28Å; N234-S238 WeakPolarHBondContact O-CB 3.31Å; N234-S238 PolarHBondContact O-N 3.26Å; R235-S238 PolarHBondContact O-N 2.93Å; R235-S238 PolarHBondContact O-OG 2.84Å; S238-V240 PolarHBondContact O-N 3.21Å
239V97.1Very high98.5Very high91 Ų9129.8 Ų29.855%0.55216%0.158SC*.THydrogen-bonded Turntrans-78.2-8.5175.3-570000113A236 A237 E330A236-V239 WeakPolarHBondContact O-CG2 3.38Å; A237-V239 VanDerWaalsContact C-N 3.28Å; A237-V239 PolarHBondContact O-N 2.56Å; V239-E330 HydrophobicContact CG1-CG 4.08Å
240V97.9Very high98.5Very high48 Ų4829.8 Ų29.829%0.29116%0.158SC..SBendtrans-109.2102.1174.3-177.60000108.3A237 S238 R242 H243 D244A237-V240 PolarHBondContact O-N 2.69Å; S238-V240 PolarHBondContact O-N 3.21Å; V240-R242 HydrophobicContact CG1-CG 3.72Å; V240-R242 PolarHBondContact O-N 3.2Å; V240-H243 HydrophobicContact CB-CB 4.19Å; V240-H243 HydrophobicContact CG1-CB 4.29Å; V240-H243 WeakPolarHBondContact O-CA 3.4Å; V240-H243 PolarHBondContact O-N 2.84Å; V240-D244 PolarHBondContact O-N 2.79Å
241P98.1Very high98.4Very high106 Ų10632 Ų3269%0.68817%0.17SC*.THydrogen-bonded Turntrans-54-31.9-169.8-31.236000116.1H243P241-H243 VanDerWaalsContact C-N 3.31Å
242R97.9Very high98.4Very high142 Ų14231.2 Ų31.254%0.53616%0.163SC..THydrogen-bonded Turntrans-74.4-16.4176.558.8169.9176.9118.75.8114.1E194 A197 P199 V240E194-R242 IonicContact OE1-NH1 3.91Å; E194-R242 PolarHBondContact OE1-NH1 2.81Å; E194-R242 VanDerWaalsContact OE1-NH1 3.08Å; E194-R242 IonicContact OE2-CZ 2.81Å; E194-R242 IonicContact OE2-NH1 3.88Å; E194-R242 PolarHBondContact OE2-NH1 2.83Å; A197-R242 VanDerWaalsContact CB-O 3.31Å; A197-R242 WeakPolarHBondContact CB-O 3.5Å; P199-R242 WeakPolarHBondContact CD-O 3.03Å; V240-R242 HydrophobicContact CG1-CG 3.72Å; V240-R242 PolarHBondContact O-N 3.2Å
243H98.3Very high98.3Very high12 Ų1238 Ų386%0.05619%0.192CC..THydrogen-bonded Turntrans-108.6-12.4179.6-58.1162.3000113.3E194 A237 V240 P241 G245 R324E194-H243 IonicContact OE1-NE2 3.85Å; E194-H243 PolarHBondContact OE1-NE2 3.41Å; E194-H243 IonicContact OE2-NE2 3.75Å; E194-H243 PolarHBondContact OE2-NE2 3.5Å; A237-H243 HydrophobicContact CB-CB 4.15Å; V240-H243 HydrophobicContact CB-CB 4.19Å; V240-H243 HydrophobicContact CG1-CB 4.29Å; V240-H243 WeakPolarHBondContact O-CA 3.4Å; V240-H243 PolarHBondContact O-N 2.84Å; P241-H243 VanDerWaalsContact C-N 3.31Å; H243-G245 PolarHBondContact O-N 3.42Å; H243-R324 VanDerWaalsContact CD2-CZ 3.44Å; H243-R324 PolarHBondContact CE1-NH1 2.96Å; H243-R324 VanDerWaalsContact NE2-CZ 3.3Å; H243-R324 PolarHBondContact NE2-NH1 3.02Å; H243-R324 PolarHBondContact NE2-NH2 3.09Å
244D98.6Very high98Very high14 Ų1438.8 Ų38.88%0.07520%0.197CC..  trans-51.8121.3-179.8-179.228000111.5P199 K221 N234 A237 V240 R246P199-D244 WeakPolarHBondContact CD-O 3.38Å; K221-D244 WeakPolarHBondContact CD-OD2 3.32Å; K221-D244 WeakPolarHBondContact CE-OD2 3.35Å; K221-D244 IonicContact NZ-OD2 3.7Å; K221-D244 PolarHBondContact NZ-OD2 2.9Å; K221-D244 VanDerWaalsContact NZ-OD2 3.14Å; N234-D244 PolarHBondContact ND2-OD1 3.07Å; A237-D244 PolarHBondContact O-N 3.19Å; V240-D244 PolarHBondContact O-N 2.79Å; D244-R246 VanDerWaalsContact CG-NH1 3.32Å; D244-R246 PolarHBondContact O-NH1 2.98Å; D244-R246 IonicContact OD1-NH1 3.08Å; D244-R246 IonicContact OD2-CZ 3.69Å; D244-R246 IonicContact OD2-NH1 2.75Å; D244-R246 PolarHBondContact OD2-NH1 2.88Å; D244-R246 IonicContact OD2-NH2 2.9Å
245G98.8Very high97.2Very high0 Ų041.5 Ų41.50%022%0.216CC..  trans-59155.5-172.300000114.1N234 H243 F322N234-G245 PolarHBondContact ND2-N 2.73Å; N234-G245 VanDerWaalsContact OD1-CA 3.29Å; N234-G245 WeakPolarHBondContact OD1-CA 3.23Å; N234-G245 PolarHBondContact OD1-N 3.21Å; H243-G245 PolarHBondContact O-N 3.42Å; G245-F322 CarbonylContact C-O 3.56Å; G245-F322 WeakPolarHBondContact CA-O 3.4Å
246R98.9Very high96.2Very high35 Ų3541.8 Ų41.813%0.13222%0.223CC..EExtended strand (participates in β ladder)trans-129.8136.3175.2-64-64.2178.7-92.7-1.5110A198 A202 V219 D220 D244 V248 F322A198-R246 HydrophobicContact CB-CB 4.42Å; A198-R246 HydrophobicContact CB-CG 4.32Å; A202-R246 HydrophobicContact CB-CB 4.4Å; A202-R246 HydrophobicContact CB-CG 4.18Å; V219-R246 HydrophobicContact CG1-CB 4.41Å; V219-R246 HydrophobicContact CG1-CG 4.4Å; D220-R246 WeakPolarHBondContact O-CA 3.3Å; D220-R246 WeakPolarHBondContact O-CD 3.17Å; D244-R246 VanDerWaalsContact CG-NH1 3.32Å; D244-R246 PolarHBondContact O-NH1 2.98Å; D244-R246 IonicContact OD1-NH1 3.08Å; D244-R246 IonicContact OD2-CZ 3.69Å; D244-R246 IonicContact OD2-NH1 2.75Å; D244-R246 PolarHBondContact OD2-NH1 2.88Å; D244-R246 IonicContact OD2-NH2 2.9Å; R246-V248 HydrophobicContact CB-CG2 4.36Å; R246-F322 PolarHBondContact N-O 3.34Å; R246-F322 PolarHBondContact O-N 2.99Å
247V98.9Very high94.9Very high0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-96.9121.6163.3-178.30000106.6D220 V222 Y227 M230 L362D220-V247 PolarHBondContact N-O 3.45Å; D220-V247 PolarHBondContact O-N 2.92Å; V222-V247 HydrophobicContact CG2-CG2 4.33Å; Y227-V247 HydrophobicContact CD2-CG2 3.86Å; Y227-V247 HydrophobicContact CE2-CB 4.31Å; Y227-V247 HydrophobicContact CE2-CG1 4.15Å; Y227-V247 HydrophobicContact CE2-CG2 3.84Å; M230-V247 HydrophobicContact CE-CG2 3.89Å; M230-V247 HydrophobicContact SD-CG2 3.48Å; M230-V247 WeakPolarHBondContact SD-CG2 3.5Å; V247-L362 HydrophobicContact CG1-CD2 3.87Å
248V98.9Very high94Very high0 Ų053.9 Ų53.90%029%0.292CS..EExtended strand (participates in β ladder)trans-114.3118.6177.8-177.50000108.4A202 L205 V217 T218 V219 R246 V250 L320 F322A202-V248 HydrophobicContact CB-CG2 4.16Å; L205-V248 HydrophobicContact CD1-CB 4.42Å; L205-V248 HydrophobicContact CD1-CG1 3.97Å; L205-V248 HydrophobicContact CD1-CG2 4.41Å; V217-V248 HydrophobicContact CG1-CG1 3.97Å; T218-V248 CarbonylContact O-C 3.54Å; T218-V248 WeakPolarHBondContact O-CA 3.48Å; V219-V248 HydrophobicContact CG1-CG2 4.38Å; V219-V248 HydrophobicContact CG2-CG1 4.28Å; V219-V248 HydrophobicContact CG2-CG2 4.17Å; R246-V248 HydrophobicContact CB-CG2 4.36Å; V248-V250 HydrophobicContact CG1-CG2 3.99Å; V248-L320 HydrophobicContact CB-CB 4.33Å; V248-L320 PolarHBondContact N-O 3.44Å; V248-L320 PolarHBondContact O-N 2.81Å; V248-F322 HydrophobicContact CB-CD2 4.3Å; V248-F322 HydrophobicContact CB-CE2 4.18Å; V248-F322 HydrophobicContact CG2-CD2 3.79Å; V248-F322 HydrophobicContact CG2-CE2 4.03Å
249H98.9Very high93.7Very high14 Ų1458.2 Ų58.27%0.06531%0.306CS..EExtended strand (participates in β ladder)trans-96.4130.7168.8-64.790.9000109.7V217 T218 Y227 A318 E365V217-H249 WeakPolarHBondContact CA-O 3.12Å; T218-H249 PolarHBondContact N-O 3.12Å; T218-H249 PolarHBondContact O-N 2.87Å; Y227-H249 PolarHBondContact OH-CE1 2.8Å; H249-A318 CarbonylContact C-O 3.53Å; H249-A318 WeakPolarHBondContact CA-O 3.39Å; H249-E365 IonicContact CD2-OE1 3.93Å; H249-E365 IonicContact CE1-OE1 2.99Å; H249-E365 IonicContact NE2-OE1 2.58Å; H249-E365 PolarHBondContact NE2-OE1 2.88Å; H249-E365 IonicContact NE2-OE2 2.75Å
250V98.8Very high93.6Very high0 Ų056.3 Ų56.30%029%0.292CS..EExtended strand (participates in β ladder)trans-124.8112.1173.2-169.60000107.8L209 V215 T216 V217 V248 M303 A318 L320L209-V250 HydrophobicContact CD1-CG1 3.9Å; L209-V250 HydrophobicContact CD1-CG2 4.04Å; V215-V250 HydrophobicContact CG1-CG1 3.77Å; T216-V250 WeakPolarHBondContact O-CA 3.21Å; V217-V250 HydrophobicContact CG2-CG1 4.33Å; V217-V250 HydrophobicContact CG2-CG2 4.49Å; V248-V250 HydrophobicContact CG1-CG2 3.99Å; V250-M303 HydrophobicContact CB-CE 4.35Å; V250-M303 HydrophobicContact CB-CG 4.13Å; V250-M303 HydrophobicContact CG1-CB 3.79Å; V250-M303 HydrophobicContact CG1-CE 3.78Å; V250-M303 HydrophobicContact CG1-CG 3.86Å; V250-A318 HydrophobicContact CB-CB 4.32Å; V250-A318 PolarHBondContact N-O 3.24Å; V250-A318 WeakPolarHBondContact O-CB 3.43Å; V250-A318 PolarHBondContact O-N 2.94Å; V250-L320 HydrophobicContact CG2-CD1 4.4Å
251D98.5Very high93.5Very high47 Ų4757.8 Ų57.825%0.25130%0.298SS..EExtended strand (participates in β ladder)trans-108138.5-179.8-63.5-62.8000110V215 T216 V316 S317V215-D251 CarbonylContact C-O 3.29Å; V215-D251 VanDerWaalsContact CA-O 3.26Å; V215-D251 WeakPolarHBondContact CA-O 3.32Å; T216-D251 PolarHBondContact N-O 2.93Å; T216-D251 PolarHBondContact O-N 2.92Å; D251-V316 CarbonylContact C-O 3.59Å; D251-V316 WeakPolarHBondContact CA-O 3.29Å; D251-S317 VanDerWaalsContact OD1-CA 3.3Å; D251-S317 WeakPolarHBondContact OD1-CA 3.44Å; D251-S317 WeakPolarHBondContact OD1-CB 3.47Å; D251-S317 PolarHBondContact OD1-OG 2.92Å
252Y98.3Very high93.4Very high2 Ų253.3 Ų53.31%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-118.8126.7168.2172.4-101.7000110.3G214 V215 P254 I306 Q310 P311 I314 S315 V316G214-Y252 VanDerWaalsContact O-CA 3.28Å; G214-Y252 WeakPolarHBondContact O-CA 3.41Å; V215-Y252 HydrophobicContact CG2-CD2 4.07Å; Y252-P254 HydrophobicContact CE1-CB 4.3Å; Y252-I306 HydrophobicContact CD1-CG2 3.42Å; Y252-I306 VanDerWaalsContact CD1-CG2 3.42Å; Y252-I306 HydrophobicContact CD2-CG2 3.57Å; Y252-I306 HydrophobicContact CE1-CG2 3.71Å; Y252-I306 HydrophobicContact CE2-CG2 3.85Å; Y252-I306 HydrophobicContact CG-CG2 3.33Å; Y252-Q310 VanDerWaalsContact OH-CA 3.29Å; Y252-Q310 WeakPolarHBondContact OH-CA 3.31Å; Y252-P311 HydrophobicContact CE1-CG 4.21Å; Y252-P311 WeakPolarHBondContact CE1-O 3.42Å; Y252-P311 PolarHBondContact OH-O 3.44Å; Y252-I314 HydrophobicContact CE1-CG2 4.27Å; Y252-I314 WeakPolarHBondContact CE1-O 3.14Å; Y252-S315 WeakPolarHBondContact O-CA 3.26Å; Y252-V316 PolarHBondContact N-O 2.58Å; Y252-V316 PolarHBondContact O-N 3.08Å
253K96.3Very high93.4Very high146 Ų14646.7 Ų46.764%0.63525%0.245SC*.  trans-126.3132.3164.2-68-175.5-179.1178.70109.2G214G214-K253 VanDerWaalsContact CA-O 3.23Å; G214-K253 WeakPolarHBondContact CA-O 3.3Å; G214-K253 PolarHBondContact O-N 3.26Å
254P92.7Very high93.5Very high18 Ų1846.2 Ų46.212%0.11724%0.243CC..  trans-64.4142.717927.8-31.6000108.6Y252 N256 I260 I314Y252-P254 HydrophobicContact CE1-CB 4.3Å; P254-N256 PolarHBondContact O-N 2.9Å; P254-I260 HydrophobicContact CG-CG1 4.5Å; P254-I314 VanDerWaalsContact CD-O 3.27Å; P254-I314 WeakPolarHBondContact CD-O 3.08Å
255S82.5Confident93.5Very high63 Ų6346 Ų4644%0.44124%0.241SC..SBendtrans-72.7-19.4177.656.40000113.4K213K213-S255 WeakPolarHBondContact CE-OG 3.21Å; K213-S255 PolarHBondContact NZ-OG 2.87Å
256N76.3Confident93.5Very high81 Ų8146 Ų4643%0.43324%0.241SC..SBendtrans-90.7154.1-171.2-60.1-17.1000110.9P254 K258 D312P254-N256 PolarHBondContact O-N 2.9Å; N256-K258 PolarHBondContact O-N 3Å; N256-K258 VanDerWaalsContact O-N 3.08Å; N256-D312 WeakPolarHBondContact CB-OD1 3.43Å; N256-D312 PolarHBondContact ND2-OD1 2.75Å
257S70Confident93.5Very high132 Ų13244.5 Ų44.592%0.92324%0.236SC*.  trans-73.74.4-173.6-34.30000115.3E259S257-E259 PolarHBondContact O-N 2.58Å
258K80.9Confident93.5Very high130 Ų13044.5 Ų44.557%0.56524%0.236SC*.  trans-63.7135.2178.1-71-165.8-168.6144.70109N256 I260 D312N256-K258 PolarHBondContact O-N 3Å; N256-K258 VanDerWaalsContact O-N 3.08Å; K258-I260 PolarHBondContact O-N 3.26Å; K258-D312 HydrophobicContact CB-CB 4.3Å; K258-D312 HydrophobicContact CD-CB 3.77Å; K258-D312 WeakPolarHBondContact CE-OD2 3.17Å; K258-D312 HydrophobicContact CG-CB 4.41Å; K258-D312 IonicContact NZ-OD2 3.83Å; K258-D312 PolarHBondContact NZ-OD2 2.94Å
259E90.6Very high93.5Very high141 Ų14144.7 Ų44.766%0.65924%0.237SC*.  trans-59.7135.3178.8-166.6-176.2-172.200110.2S257 D261 G313 K374S257-E259 PolarHBondContact O-N 2.58Å; E259-D261 PolarHBondContact O-N 2.84Å; E259-G313 WeakPolarHBondContact O-CA 3.44Å; E259-K374 IonicContact OE1-NZ 2.73Å; E259-K374 PolarHBondContact OE1-NZ 3.39Å; E259-K374 IonicContact OE2-NZ 3.4Å; E259-K374 PolarHBondContact OE2-NZ 3.46Å
260I95Very high93.5Very high52 Ų5244 Ų4427%0.26723%0.234SC..  trans-69.6113.9173.4-64.5163.2000107.9P254 K258 T262P254-I260 HydrophobicContact CG-CG1 4.5Å; K258-I260 PolarHBondContact O-N 3.26Å; I260-T262 WeakPolarHBondContact CG2-O 3.22Å
261D95.7Very high93.5Very high78 Ų7844 Ų4442%0.41723%0.234SC..  trans-93.9-20176.568.731.9000112.9E259 G313 N375 R519E259-D261 PolarHBondContact O-N 2.84Å; D261-G313 PolarHBondContact N-O 2.9Å; D261-G313 VanDerWaalsContact OD1-O 3.07Å; D261-N375 VanDerWaalsContact O-CB 3.23Å; D261-N375 WeakPolarHBondContact O-CB 3.28Å; D261-N375 PolarHBondContact O-ND2 2.79Å; D261-R519 IonicContact OD1-CZ 3.6Å; D261-R519 IonicContact OD1-NH2 3.87Å; D261-R519 PolarHBondContact OD1-NH2 3.28Å; D261-R519 IonicContact OD2-NH2 2.82Å
262T97.4Very high93.5Very high13 Ų1341.8 Ų41.88%0.0822%0.222CC..EExtended strand (participates in β ladder)trans-142.4131.4-175.3-57.60000109.7I260 L264 G313 I314 S315 F377 Y515 R519I260-T262 WeakPolarHBondContact CG2-O 3.22Å; T262-L264 HydrophobicContact CG2-CD2 3.79Å; T262-L264 HydrophobicContact CG2-CG 4.49Å; T262-G313 PolarHBondContact N-O 2.82Å; T262-I314 WeakPolarHBondContact O-CA 3.47Å; T262-S315 PolarHBondContact O-N 3.33Å; T262-F377 HydrophobicContact CG2-CD2 4.09Å; T262-F377 HydrophobicContact CG2-CE2 4.27Å; T262-Y515 HydrophobicContact CG2-CD1 4.49Å; T262-R519 PolarHBondContact OG1-NH2 3.07Å
263S98.4Very high93.5Very high3 Ų343.8 Ų43.82%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-122.5122.4175.2-51.60000109.8S315 T373 K374 N375 P376 F377S263-S315 CarbonylContact C-O 3.5Å; S263-S315 WeakPolarHBondContact CA-O 3.28Å; S263-S315 WeakPolarHBondContact CB-OG 3.39Å; S263-S315 PolarHBondContact OG-OG 3.13Å; S263-T373 WeakPolarHBondContact OG-CG2 3.13Å; S263-K374 PolarHBondContact OG-O 2.8Å; S263-N375 PolarHBondContact N-O 2.96Å; S263-N375 VanDerWaalsContact N-O 3.15Å; S263-P376 CarbonylContact O-C 3.48Å; S263-P376 WeakPolarHBondContact O-CA 3.27Å; S263-F377 PolarHBondContact O-N 3.15Å
264L98.8Very high93.6Very high1 Ų137 Ų371%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-101.4130.7178.6-52.7-173.3000110.1T262 L266 I314 S315 V316 S317 F377 F379 Y515T262-L264 HydrophobicContact CG2-CD2 3.79Å; T262-L264 HydrophobicContact CG2-CG 4.49Å; L264-L266 HydrophobicContact CB-CD2 4.32Å; L264-L266 HydrophobicContact CB-CG 4.46Å; L264-I314 HydrophobicContact CD1-CD1 3.75Å; L264-I314 HydrophobicContact CG-CD1 3.93Å; L264-I314 HydrophobicContact CG-CG1 4.42Å; L264-S315 PolarHBondContact N-O 3.48Å; L264-V316 HydrophobicContact CB-CB 4.49Å; L264-V316 HydrophobicContact CB-CG1 4.18Å; L264-V316 HydrophobicContact CB-CG2 4.12Å; L264-V316 HydrophobicContact CD1-CG2 4.2Å; L264-V316 HydrophobicContact CG-CG2 4.33Å; L264-V316 CarbonylContact O-C 3.53Å; L264-V316 WeakPolarHBondContact O-CA 3.22Å; L264-S317 PolarHBondContact O-N 3.23Å; L264-F377 CarbonylContact C-O 3.49Å; L264-F377 WeakPolarHBondContact CA-O 3.47Å; L264-F377 HydrophobicContact CD2-CB 4.03Å; L264-F379 HydrophobicContact CD2-CE2 4.16Å; L264-Y515 HydrophobicContact CD1-CD1 4.1Å; L264-Y515 HydrophobicContact CD1-CD2 3.94Å; L264-Y515 HydrophobicContact CD1-CE2 4.47Å; L264-Y515 HydrophobicContact CD1-CG 3.74Å; L264-Y515 HydrophobicContact CD2-CD1 3.94Å; L264-Y515 HydrophobicContact CD2-CE1 3.84Å; L264-Y515 HydrophobicContact CD2-CG 4.39Å
265F98.9Very high93.8Very high10 Ų1036.9 Ų36.94%0.04420%0.2CC..EExtended strand (participates in β ladder)trans-110.5116.9167-63.8-85.7000108.6S317 A366 K369 A370 T373 P376 F377 I378 F379F265-S317 CarbonylContact C-O 3.58Å; F265-S317 VanDerWaalsContact CA-O 3.29Å; F265-S317 WeakPolarHBondContact CA-O 3.1Å; F265-A366 HydrophobicContact CB-CB 3.93Å; F265-A366 HydrophobicContact CD1-CB 4.44Å; F265-A366 HydrophobicContact CG-CB 4.41Å; F265-K369 HydrophobicContact CD1-CB 4.17Å; F265-K369 HydrophobicContact CD1-CD 4.42Å; F265-K369 HydrophobicContact CE1-CB 3.39Å; F265-K369 HydrophobicContact CE1-CD 4.01Å; F265-K369 HydrophobicContact CE1-CG 4.32Å; F265-K369 HydrophobicContact CZ-CB 3.81Å; F265-A370 HydrophobicContact CD2-CB 4.1Å; F265-A370 HydrophobicContact CE2-CB 3.88Å; F265-T373 HydrophobicContact CE2-CG2 3.91Å; F265-T373 HydrophobicContact CZ-CG2 3.97Å; F265-P376 HydrophobicContact CD2-CB 4.17Å; F265-P376 HydrophobicContact CE2-CB 3.86Å; F265-F377 PolarHBondContact N-O 2.91Å; F265-I378 HydrophobicContact CB-CB 4.43Å; F265-I378 HydrophobicContact CB-CG1 4.1Å; F265-I378 HydrophobicContact CB-CG2 4.22Å; F265-I378 HydrophobicContact CD2-CG1 4.29Å; F265-I378 CarbonylContact O-C 3.59Å; F265-I378 WeakPolarHBondContact O-CA 3.44Å; F265-F379 PolarHBondContact O-N 2.88Å
266L99Very high94.5Very high1 Ų133.9 Ų33.91%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-113.7126.5-174.4-55.3-178.5000109.7L264 I299 L302 V316 S317 A318 G319 F379 F511L264-L266 HydrophobicContact CB-CD2 4.32Å; L264-L266 HydrophobicContact CB-CG 4.46Å; L266-I299 HydrophobicContact CB-CD1 3.97Å; L266-I299 HydrophobicContact CB-CG1 4.24Å; L266-I299 HydrophobicContact CB-CG2 3.89Å; L266-I299 HydrophobicContact CD1-CG2 3.85Å; L266-L302 HydrophobicContact CD1-CD2 3.81Å; L266-V316 HydrophobicContact CD1-CG1 3.68Å; L266-V316 HydrophobicContact CG-CG1 4.01Å; L266-S317 PolarHBondContact N-O 2.84Å; L266-A318 HydrophobicContact CB-CB 4.17Å; L266-A318 CarbonylContact O-C 3.58Å; L266-A318 WeakPolarHBondContact O-CA 3.16Å; L266-G319 PolarHBondContact O-N 3.14Å; L266-F379 CarbonylContact C-O 3.19Å; L266-F379 HydrophobicContact CD2-CB 3.86Å; L266-F379 HydrophobicContact CD2-CD2 3.75Å; L266-F379 HydrophobicContact CD2-CG 4.16Å; L266-F511 HydrophobicContact CD2-CE1 3.99Å
267V99Very high95.6Very high3 Ų330 Ų302%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-118.1122.1176.9177.30000109.4G319 M359 L362 L363 A366 F379 T380 I381V267-G319 VanDerWaalsContact CA-O 3.32Å; V267-G319 WeakPolarHBondContact CA-O 3.43Å; V267-M359 HydrophobicContact CG1-CB 3.91Å; V267-M359 HydrophobicContact CG1-CG 3.98Å; V267-M359 HydrophobicContact CG1-SD 4.5Å; V267-L362 HydrophobicContact CG1-CB 3.72Å; V267-L362 HydrophobicContact CG1-CD1 4.28Å; V267-L362 HydrophobicContact CG2-CB 4.22Å; V267-L363 HydrophobicContact CG2-CD1 4.48Å; V267-A366 HydrophobicContact CG2-CB 4.15Å; V267-F379 PolarHBondContact N-O 2.77Å; V267-T380 HydrophobicContact CB-CG2 3.88Å; V267-T380 HydrophobicContact CG1-CG2 4.14Å; V267-T380 CarbonylContact O-C 3.47Å; V267-T380 VanDerWaalsContact O-CA 3.23Å; V267-T380 WeakPolarHBondContact O-CA 3.49Å; V267-I381 PolarHBondContact O-N 3.38Å
268G98.9Very high96.8Very high0 Ų025.7 Ų25.70%013%0.13CC..EExtended strand (participates in β ladder)trans-108.7130.1-174.800000113.8G270 I299 G319 A321 I381G268-G270 PolarHBondContact O-N 3.49Å; G268-I299 VanDerWaalsContact CA-CD1 3.46Å; G268-G319 PolarHBondContact N-O 3.18Å; G268-A321 PolarHBondContact O-N 2.84Å; G268-A321 VanDerWaalsContact O-N 3.11Å; G268-I381 WeakPolarHBondContact CA-O 3.35Å
269K98.8Very high97.6Very high4 Ų422.3 Ų22.32%0.01712%0.118CC..EExtended strand (participates in β ladder)trans-73117.1163.3-176.7-173.1174.9-176.60109.2I271 D292 A296 E354 V358 M359 I381 A382 T383 L384K269-I271 HydrophobicContact CD-CG1 4.31Å; K269-I271 HydrophobicContact CG-CG1 3.94Å; K269-D292 WeakPolarHBondContact CE-OD1 3.31Å; K269-D292 WeakPolarHBondContact CE-OD2 3.45Å; K269-D292 IonicContact NZ-OD1 3Å; K269-D292 PolarHBondContact NZ-OD1 2.97Å; K269-D292 IonicContact NZ-OD2 2.9Å; K269-D292 PolarHBondContact NZ-OD2 3.07Å; K269-A296 VanDerWaalsContact O-CB 3.32Å; K269-A296 WeakPolarHBondContact O-CB 3.39Å; K269-A296 PolarHBondContact O-N 3.16Å; K269-E354 WeakPolarHBondContact CE-OE1 3.42Å; K269-E354 IonicContact NZ-OE1 3.25Å; K269-E354 PolarHBondContact NZ-OE1 3.42Å; K269-V358 HydrophobicContact CG-CG2 4.45Å; K269-M359 HydrophobicContact CB-CE 4.19Å; K269-M359 HydrophobicContact CB-CG 4.22Å; K269-M359 HydrophobicContact CB-SD 3.84Å; K269-I381 PolarHBondContact N-O 3.43Å; K269-A382 HydrophobicContact CB-CB 3.43Å; K269-A382 VanDerWaalsContact CB-CB 3.43Å; K269-A382 HydrophobicContact CD-CB 3.98Å; K269-A382 HydrophobicContact CG-CB 4.31Å; K269-T383 WeakPolarHBondContact CD-O 3.18Å; K269-T383 PolarHBondContact NZ-O 3.35Å; K269-L384 HydrophobicContact CD-CD1 4.22Å
270G98.8Very high97.9Very high0 Ų018.6 Ų18.60%011%0.106CC..EExtended strand (participates in β ladder)trans-119.446.1-179.700000112.6G268 T272 A321 F322 V323G268-G270 PolarHBondContact O-N 3.49Å; G270-T272 PolarHBondContact O-N 2.94Å; G270-A321 CarbonylContact C-O 3.49Å; G270-A321 WeakPolarHBondContact CA-O 3.5Å; G270-A321 PolarHBondContact N-O 3.28Å; G270-F322 VanDerWaalsContact O-CA 3.29Å; G270-F322 WeakPolarHBondContact O-CA 3.27Å; G270-V323 PolarHBondContact O-N 3.38Å; G270-V323 VanDerWaalsContact O-N 3.16Å
271I98.8Very high97.9Very high0 Ų017.4 Ų17.40%010%0.098CC..EExtended strand (participates in β ladder)trans-69.5105.5179.2-61.6-62.6000109.3V233 K269 F273 D274 D292 K293 V323 N325 E354 V358V233-I271 HydrophobicContact CG1-CD1 4.38Å; K269-I271 HydrophobicContact CD-CG1 4.31Å; K269-I271 HydrophobicContact CG-CG1 3.94Å; I271-F273 WeakPolarHBondContact CG2-O 3.27Å; I271-F273 PolarHBondContact O-N 3.37Å; I271-D274 HydrophobicContact CG2-CB 3.73Å; I271-D292 HydrophobicContact CB-CB 4.01Å; I271-D292 WeakPolarHBondContact CB-O 3.2Å; I271-D292 WeakPolarHBondContact CB-OD2 3.07Å; I271-D292 HydrophobicContact CG2-CB 4.22Å; I271-D292 PolarHBondContact N-O 3.14Å; I271-D292 CarbonylContact O-C 3.59Å; I271-K293 WeakPolarHBondContact O-CB 3.3Å; I271-K293 PolarHBondContact O-N 3.46Å; I271-K293 VanDerWaalsContact O-N 3.17Å; I271-V323 CarbonylContact C-O 3.58Å; I271-V323 VanDerWaalsContact CA-O 3.26Å; I271-V323 WeakPolarHBondContact CA-O 3.38Å; I271-V323 HydrophobicContact CD1-CB 4.26Å; I271-N325 HydrophobicContact CG2-CB 4.32Å; I271-E354 HydrophobicContact CD1-CG 3.73Å; I271-E354 HydrophobicContact CG1-CG 3.9Å; I271-V358 HydrophobicContact CD1-CG1 3.84Å; I271-V358 HydrophobicContact CD1-CG2 3.94Å; I271-V358 HydrophobicContact CG1-CG2 4.45Å
272T98.7Very high97.8Very high0 Ų017.2 Ų17.20%011%0.107CC..EExtended strand (participates in β ladder)trans-67.7-29.1-170.6590000112.9P193 A198 I201 G270 F322 V323 R324P193-T272 WeakPolarHBondContact CB-O 3.31Å; A198-T272 HydrophobicContact CB-CG2 4.15Å; I201-T272 HydrophobicContact CD1-CG2 3.72Å; G270-T272 PolarHBondContact O-N 2.94Å; T272-F322 HydrophobicContact CG2-CB 4.32Å; T272-V323 PolarHBondContact N-O 3.04Å; T272-V323 PolarHBondContact OG1-O 2.72Å; T272-R324 WeakPolarHBondContact OG1-CB 3.19Å
273F98.4Very high97.6Very high43 Ų4320.6 Ų20.619%0.18915%0.145CC..EExtended strand (participates in β ladder)trans-161.5137.8166.7-164.6-103.1000108.3P193 I271 T275 M286 H290 R324 N325P193-F273 HydrophobicContact CB-CB 3.77Å; P193-F273 HydrophobicContact CB-CD2 3.7Å; P193-F273 HydrophobicContact CB-CG 4.03Å; P193-F273 HydrophobicContact CG-CD2 3.7Å; P193-F273 HydrophobicContact CG-CE2 4.2Å; P193-F273 HydrophobicContact CG-CG 4.29Å; I271-F273 WeakPolarHBondContact CG2-O 3.27Å; I271-F273 PolarHBondContact O-N 3.37Å; F273-T275 HydrophobicContact CD1-CG2 3.95Å; F273-T275 HydrophobicContact CE1-CG2 4.06Å; F273-M286 HydrophobicContact CE1-CG 3.97Å; F273-M286 HydrophobicContact CE1-SD 3.81Å; F273-M286 HydrophobicContact CZ-CG 4Å; F273-M286 HydrophobicContact CZ-SD 4.21Å; F273-H290 HydrophobicContact CD2-CB 3.99Å; F273-H290 HydrophobicContact CE2-CB 4.43Å; F273-R324 HydrophobicContact CB-CG 3.93Å; F273-R324 WeakPolarHBondContact O-CG 3.42Å; F273-N325 PolarHBondContact O-N 2.87Å; F273-N325 VanDerWaalsContact O-N 3.07Å
274D98.1Very high97.4Very high3 Ų323.3 Ų23.32%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-113.5107.4-178.8-172.613.7000111.6I271 G276 K281 M289 D292 N325I271-D274 HydrophobicContact CG2-CB 3.73Å; D274-G276 VanDerWaalsContact C-N 3.34Å; D274-G276 WeakPolarHBondContact OD1-CA 3.16Å; D274-G276 PolarHBondContact OD1-N 3.48Å; D274-K281 WeakPolarHBondContact O-CE 3.4Å; D274-K281 WeakPolarHBondContact OD2-CE 3.39Å; D274-K281 IonicContact OD2-NZ 2.63Å; D274-K281 PolarHBondContact OD2-NZ 3.45Å; D274-M289 HydrophobicContact CB-CB 3.94Å; D274-M289 HydrophobicContact CB-CG 4.24Å; D274-M289 HydrophobicContact CB-SD 4.31Å; D274-M289 PolarHBondContact N-O 3.2Å; D274-M289 WeakPolarHBondContact O-CB 3.48Å; D274-M289 WeakPolarHBondContact O-CG 3.3Å; D274-D292 HydrophobicContact CB-CB 4.44Å; D274-N325 WeakPolarHBondContact OD1-CB 3.25Å; D274-N325 PolarHBondContact OD1-ND2 2.82Å
275T98.2Very high97Very high17 Ų1728.3 Ų28.310%0.10420%0.199CC..  trans-86.8-9.317274.10000112.7F273 G277 V280 K281 M286 N325 I327F273-T275 HydrophobicContact CD1-CG2 3.95Å; F273-T275 HydrophobicContact CE1-CG2 4.06Å; T275-G277 PolarHBondContact OG1-N 3.36Å; T275-V280 WeakPolarHBondContact O-CA 3.49Å; T275-K281 PolarHBondContact O-N 3.07Å; T275-M286 HydrophobicContact CG2-SD 4.24Å; T275-N325 PolarHBondContact N-O 3.48Å; T275-N325 PolarHBondContact OG1-O 3.4Å; T275-I327 PolarHBondContact OG1-N 3.46Å
276G97.1Very high96.9Very high0 Ų030.3 Ų30.30%021%0.209CC..  trans83.51.9-165.200000115.3D274 D279 N325 T351 D352D274-G276 VanDerWaalsContact C-N 3.34Å; D274-G276 WeakPolarHBondContact OD1-CA 3.16Å; D274-G276 PolarHBondContact OD1-N 3.48Å; G276-D279 CarbonylContact O-C 3.6Å; G276-D279 PolarHBondContact O-N 2.93Å; G276-N325 VanDerWaalsContact C-ND2 3.31Å; G276-T351 CarbonylContact O-C 3.48Å; G276-T351 WeakPolarHBondContact O-CB 3.41Å; G276-T351 PolarHBondContact O-OG1 2.98Å; G276-D352 WeakPolarHBondContact CA-OD1 3.33Å; G276-D352 PolarHBondContact O-N 2.79Å
277G97.6Very high96.7Very high0 Ų033.9 Ų33.90%024%0.239CC..THydrogen-bonded Turntrans64.8-136.5-175.600000111.7T275 V280 N325 I327T275-G277 PolarHBondContact OG1-N 3.36Å; G277-V280 VanDerWaalsContact O-CG2 3.31Å; G277-V280 WeakPolarHBondContact O-CG2 3.19Å; G277-N325 PolarHBondContact N-ND2 3.45Å; G277-I327 WeakPolarHBondContact O-CB 3.45Å
278A97.1Very high96.5Very high40 Ų4034.3 Ų34.333%0.33124%0.244SC..THydrogen-bonded Turntrans-67.6-33.3177.400000113.1V280 V333 T351A278-V280 PolarHBondContact O-N 3.35Å; A278-V333 HydrophobicContact CB-CG1 3.92Å; A278-T351 HydrophobicContact CB-CG2 4.4Å; A278-T351 PolarHBondContact N-OG1 2.93Å
279D96Very high96.4Very high59 Ų5936.7 Ų36.732%0.31626%0.255SS..SBendtrans-80.663169.2-65.5-67.1000111G276 K281 N350 T351G276-D279 CarbonylContact O-C 3.6Å; G276-D279 PolarHBondContact O-N 2.93Å; D279-K281 PolarHBondContact O-N 3.38Å; D279-N350 WeakPolarHBondContact CB-OD1 3.23Å; D279-N350 WeakPolarHBondContact OD2-CA 3.34Å; D279-T351 WeakPolarHBondContact CB-OG1 3.11Å; D279-T351 PolarHBondContact N-OG1 3.26Å; D279-T351 PolarHBondContact OD2-N 3.12Å; D279-T351 PolarHBondContact OD2-OG1 3.1Å
280V96.6Very high96.4Very high64 Ų6437.7 Ų37.739%0.38826%0.26SS..  trans-54.4133-168.8-179.20000113.4T275 G277 A278 A282 M286 I327T275-V280 WeakPolarHBondContact O-CA 3.49Å; G277-V280 VanDerWaalsContact O-CG2 3.31Å; G277-V280 WeakPolarHBondContact O-CG2 3.19Å; A278-V280 PolarHBondContact O-N 3.35Å; V280-A282 PolarHBondContact O-N 2.92Å; V280-M286 HydrophobicContact CG1-CE 3.97Å; V280-I327 HydrophobicContact CG2-CD1 3.28Å; V280-I327 HydrophobicContact CG2-CG1 4.45Å
281K95.8Very high96.3Very high27 Ų2738.9 Ų38.912%0.11727%0.265CS..  trans-62102.4165.8-68.5-172.3-157.7-740110.9D274 T275 D279 I285 M286 M289 D352D274-K281 WeakPolarHBondContact O-CE 3.4Å; D274-K281 WeakPolarHBondContact OD2-CE 3.39Å; D274-K281 IonicContact OD2-NZ 2.63Å; D274-K281 PolarHBondContact OD2-NZ 3.45Å; T275-K281 PolarHBondContact O-N 3.07Å; D279-K281 PolarHBondContact O-N 3.38Å; K281-I285 HydrophobicContact CB-CD1 4.4Å; K281-I285 HydrophobicContact CB-CG1 3.89Å; K281-I285 HydrophobicContact CD-CG1 4.46Å; K281-I285 HydrophobicContact CG-CG1 4.34Å; K281-M286 HydrophobicContact CB-CB 4.05Å; K281-M286 HydrophobicContact CB-CE 4.25Å; K281-M286 HydrophobicContact CB-CG 4.49Å; K281-M286 WeakPolarHBondContact O-CE 3.33Å; K281-M289 HydrophobicContact CD-CG 3.76Å; K281-M289 HydrophobicContact CD-SD 4.03Å; K281-M289 WeakPolarHBondContact CE-SD 3.39Å; K281-D352 WeakPolarHBondContact CE-OD1 3.47Å; K281-D352 WeakPolarHBondContact CG-OD1 3.35Å; K281-D352 IonicContact NZ-OD1 4Å; K281-D352 PolarHBondContact NZ-OD1 2.81Å; K281-D352 IonicContact NZ-OD2 2.62Å; K281-D352 PolarHBondContact NZ-OD2 3.37Å
282A93.5Very high96.2Very high73 Ų7339.5 Ų39.560%0.60327%0.268SS*.  trans-99.8169.9177.300000112.7V280 G284 I285V280-A282 PolarHBondContact O-N 2.92Å; A282-G284 PolarHBondContact O-N 3.25Å; A282-I285 WeakPolarHBondContact O-CG1 3.27Å
283G94.4Very high96.2Very high84 Ų8439.5 Ų39.587%0.86627%0.268SS*.THydrogen-bonded Turntrans75.120.3173.200000115.5
284G92.5Very high96.2Very high60 Ų6037.9 Ų37.962%0.61926%0.262SS*.THydrogen-bonded Turntrans88.2-5.9175.600000115.4A282 M286 A287A282-G284 PolarHBondContact O-N 3.25Å; G284-M286 PolarHBondContact O-N 3.13Å; G284-M286 VanDerWaalsContact O-N 3.16Å; G284-A287 WeakPolarHBondContact O-CB 3.49Å; G284-A287 PolarHBondContact O-N 3.49Å
285I91.7Very high96.2Very high107 Ų10737.8 Ų37.855%0.54926%0.261SS..THydrogen-bonded Turntrans-71.7-5.7-179.172.5-171.5000114K281 A282 A287K281-I285 HydrophobicContact CB-CD1 4.4Å; K281-I285 HydrophobicContact CB-CG1 3.89Å; K281-I285 HydrophobicContact CD-CG1 4.46Å; K281-I285 HydrophobicContact CG-CG1 4.34Å; A282-I285 WeakPolarHBondContact O-CG1 3.27Å; I285-A287 VanDerWaalsContact C-N 3.29Å
286M95.6Very high96.3Very high52 Ų5237 Ų3726%0.25626%0.256SS..THydrogen-bonded Turntrans-72.5-23.5171.9-165.4-175.1-62.500112.1F273 T275 V280 K281 G284 G288 M289F273-M286 HydrophobicContact CE1-CG 3.97Å; F273-M286 HydrophobicContact CE1-SD 3.81Å; F273-M286 HydrophobicContact CZ-CG 4Å; F273-M286 HydrophobicContact CZ-SD 4.21Å; T275-M286 HydrophobicContact CG2-SD 4.24Å; V280-M286 HydrophobicContact CG1-CE 3.97Å; K281-M286 HydrophobicContact CB-CB 4.05Å; K281-M286 HydrophobicContact CB-CE 4.25Å; K281-M286 HydrophobicContact CB-CG 4.49Å; K281-M286 WeakPolarHBondContact O-CE 3.33Å; G284-M286 PolarHBondContact O-N 3.13Å; G284-M286 VanDerWaalsContact O-N 3.16Å; M286-G288 PolarHBondContact O-N 2.88Å; M286-M289 VanDerWaalsContact O-CB 3.26Å; M286-M289 WeakPolarHBondContact O-CB 3.35Å; M286-M289 WeakPolarHBondContact O-CG 3.27Å; M286-M289 PolarHBondContact O-N 2.85Å; M286-M289 VanDerWaalsContact O-N 3.17Å
287A95.4Very high96.3Very high76 Ų7637 Ų3763%0.62826%0.257SS*.THydrogen-bonded Turntrans-61.5130.817600000110.5G284 I285G284-A287 WeakPolarHBondContact O-CB 3.49Å; G284-A287 PolarHBondContact O-N 3.49Å; I285-A287 VanDerWaalsContact C-N 3.29Å
288G95.4Very high96.4Very high12 Ų1237 Ų3712%0.12426%0.257CS..THydrogen-bonded Turntrans92.1-9.1-177.500000114.7M286 H290 R291M286-G288 PolarHBondContact O-N 2.88Å; G288-H290 PolarHBondContact O-N 2.79Å; G288-R291 WeakPolarHBondContact O-CB 3.5Å; G288-R291 PolarHBondContact O-N 2.8Å
289M96.9Very high96.5Very high49 Ų4935.1 Ų35.124%0.24124%0.241CC..G310 helixtrans-68.3-1179.5-67-59.7102.400115D274 K281 M286 R291 D292D274-M289 HydrophobicContact CB-CB 3.94Å; D274-M289 HydrophobicContact CB-CG 4.24Å; D274-M289 HydrophobicContact CB-SD 4.31Å; D274-M289 PolarHBondContact N-O 3.2Å; D274-M289 WeakPolarHBondContact O-CB 3.48Å; D274-M289 WeakPolarHBondContact O-CG 3.3Å; K281-M289 HydrophobicContact CD-CG 3.76Å; K281-M289 HydrophobicContact CD-SD 4.03Å; K281-M289 WeakPolarHBondContact CE-SD 3.39Å; M286-M289 VanDerWaalsContact O-CB 3.26Å; M286-M289 WeakPolarHBondContact O-CB 3.35Å; M286-M289 WeakPolarHBondContact O-CG 3.27Å; M286-M289 PolarHBondContact O-N 2.85Å; M286-M289 VanDerWaalsContact O-N 3.17Å; M289-R291 PolarHBondContact O-N 2.82Å; M289-D292 WeakPolarHBondContact O-CB 3.42Å; M289-D292 PolarHBondContact O-N 2.95Å
290H97.3Very high96.6Very high26 Ų2632.3 Ų32.312%0.1223%0.226CC..G310 helixtrans-68.3-19.2165.369.9-93.2000112.5G190 S191 P193 F273 G288 D292 K293G190-H290 PolarHBondContact O-NE2 2.9Å; S191-H290 PolarHBondContact O-CD2 3.1Å; P193-H290 HydrophobicContact CB-CB 4.21Å; P193-H290 HydrophobicContact CG-CB 4.38Å; F273-H290 HydrophobicContact CD2-CB 3.99Å; F273-H290 HydrophobicContact CE2-CB 4.43Å; G288-H290 PolarHBondContact O-N 2.79Å; H290-D292 PolarHBondContact O-N 2.74Å; H290-K293 VanDerWaalsContact O-CD 3.24Å; H290-K293 WeakPolarHBondContact O-CD 3.22Å; H290-K293 WeakPolarHBondContact O-CE 3.45Å; H290-K293 PolarHBondContact O-NZ 3.42Å
291R96.8Very high96.7Very high25 Ų2529.3 Ų29.39%0.09421%0.208CC..G310 helixtrans-80.9-1.4177.2-63-161.2167.5-143.80.3113.6G288 M289 K293 C294 G497 D498 I499 V501G288-R291 WeakPolarHBondContact O-CB 3.5Å; G288-R291 PolarHBondContact O-N 2.8Å; M289-R291 PolarHBondContact O-N 2.82Å; R291-K293 PolarHBondContact O-N 3.06Å; R291-C294 WeakPolarHBondContact O-CB 3.45Å; R291-C294 PolarHBondContact O-N 2.67Å; R291-C294 PolarHBondContact O-SG 2.97Å; R291-G497 WeakPolarHBondContact CD-O 3.4Å; R291-G497 PolarHBondContact NH1-O 3.16Å; R291-G497 VanDerWaalsContact NH1-O 3.1Å; R291-D498 PolarHBondContact NH1-O 3.38Å; R291-D498 PolarHBondContact NH2-O 2.98Å; R291-I499 PolarHBondContact NH2-O 2.99Å; R291-I499 VanDerWaalsContact NH2-O 3.07Å; R291-V501 PolarHBondContact NH1-O 2.93Å; R291-V501 PolarHBondContact NH2-O 3.42Å
292D97.5Very high96.9Very high13 Ų1328.2 Ų28.27%0.0720%0.203CC..THydrogen-bonded Turntrans-73.811.3-175.9-156.525.8000114.3K269 I271 D274 M289 H290 T383K269-D292 WeakPolarHBondContact CE-OD1 3.31Å; K269-D292 WeakPolarHBondContact CE-OD2 3.45Å; K269-D292 IonicContact NZ-OD1 3Å; K269-D292 PolarHBondContact NZ-OD1 2.97Å; K269-D292 IonicContact NZ-OD2 2.9Å; K269-D292 PolarHBondContact NZ-OD2 3.07Å; I271-D292 HydrophobicContact CB-CB 4.01Å; I271-D292 WeakPolarHBondContact CB-O 3.2Å; I271-D292 WeakPolarHBondContact CB-OD2 3.07Å; I271-D292 HydrophobicContact CG2-CB 4.22Å; I271-D292 PolarHBondContact N-O 3.14Å; I271-D292 CarbonylContact O-C 3.59Å; D274-D292 HydrophobicContact CB-CB 4.44Å; M289-D292 WeakPolarHBondContact O-CB 3.42Å; M289-D292 PolarHBondContact O-N 2.95Å; H290-D292 PolarHBondContact O-N 2.74Å; D292-T383 VanDerWaalsContact CA-OG1 3.26Å; D292-T383 WeakPolarHBondContact CA-OG1 3.35Å; D292-T383 PolarHBondContact O-OG1 2.81Å; D292-T383 WeakPolarHBondContact OD1-CB 3.32Å; D292-T383 PolarHBondContact OD1-OG1 2.9Å
293K98.2Very high97.1Very high0 Ų024.7 Ų24.70%018%0.175CC..THydrogen-bonded Turntrans-110.32173.567.5-146.6-173.1-1580114.1I188 S191 M196 I201 I271 H290 R291 G295 A296 A297I188-K293 HydrophobicContact CG2-CG 4.35Å; I188-K293 WeakPolarHBondContact O-CE 3.49Å; S191-K293 PolarHBondContact O-NZ 3.1Å; M196-K293 PolarHBondContact O-NZ 3.47Å; I201-K293 HydrophobicContact CD1-CD 4.25Å; I271-K293 WeakPolarHBondContact O-CB 3.3Å; I271-K293 PolarHBondContact O-N 3.46Å; I271-K293 VanDerWaalsContact O-N 3.17Å; H290-K293 VanDerWaalsContact O-CD 3.24Å; H290-K293 WeakPolarHBondContact O-CD 3.22Å; H290-K293 WeakPolarHBondContact O-CE 3.45Å; H290-K293 PolarHBondContact O-NZ 3.42Å; R291-K293 PolarHBondContact O-N 3.06Å; K293-G295 VanDerWaalsContact C-N 3.25Å; K293-G295 PolarHBondContact O-N 3.48Å; K293-A296 PolarHBondContact O-N 3.07Å; K293-A297 WeakPolarHBondContact O-CB 3.38Å; K293-A297 PolarHBondContact O-N 2.58Å
294C98.5Very high97.3Very high9 Ų922 Ų226%0.06114%0.139CC..Hα-helixtrans-62-29.9-175.4-76.30000113.4G189 R291 A297 A298 T383 A496G189-C294 VanDerWaalsContact CA-SG 3.6Å; R291-C294 WeakPolarHBondContact O-CB 3.45Å; R291-C294 PolarHBondContact O-N 2.67Å; R291-C294 PolarHBondContact O-SG 2.97Å; C294-A297 PolarHBondContact O-N 2.84Å; C294-A298 WeakPolarHBondContact O-CB 3.39Å; C294-A298 PolarHBondContact O-N 3.21Å; C294-T383 HydrophobicContact CB-CG2 3.69Å; C294-A496 HydrophobicContact CB-CB 3.72Å
295G98.7Very high97.6Very high0 Ų019.2 Ų19.20%011%0.11CC..Hα-helixtrans-63.6-48.5175.800000113K293 I299 I381K293-G295 VanDerWaalsContact C-N 3.25Å; K293-G295 PolarHBondContact O-N 3.48Å; G295-I299 PolarHBondContact O-N 2.96Å; G295-I381 CarbonylContact C-O 3.57Å; G295-I381 WeakPolarHBondContact CA-O 3.28Å
296A98.9Very high98Very high0 Ų014.1 Ų14.10%08%0.084CC..Hα-helixtrans-66.3-37172.400000112.6K269 K293 I299 A300 L320 F322K269-A296 VanDerWaalsContact O-CB 3.32Å; K269-A296 WeakPolarHBondContact O-CB 3.39Å; K269-A296 PolarHBondContact O-N 3.16Å; K293-A296 PolarHBondContact O-N 3.07Å; A296-I299 PolarHBondContact O-N 2.87Å; A296-A300 PolarHBondContact O-N 2.87Å; A296-L320 HydrophobicContact CB-CB 4.26Å; A296-L320 HydrophobicContact CB-CD2 4.16Å; A296-F322 HydrophobicContact CB-CD1 4.44Å; A296-F322 HydrophobicContact CB-CE1 3.62Å; A296-F322 HydrophobicContact CB-CZ 3.83Å
297A98.8Very high98Very high1 Ų111.8 Ų11.81%0.0087%0.073CC..Hα-helixtrans-62.9-41.9177.500000112.2A185 I188 K293 C294 I299 A300 G301A185-A297 WeakPolarHBondContact CA-O 3.21Å; A185-A297 HydrophobicContact CB-CB 4.49Å; A185-A297 VanDerWaalsContact CB-O 3.22Å; A185-A297 WeakPolarHBondContact CB-O 3.49Å; A185-A297 WeakPolarHBondContact O-CB 3.26Å; I188-A297 HydrophobicContact CB-CB 3.84Å; I188-A297 HydrophobicContact CG2-CB 3.72Å; K293-A297 WeakPolarHBondContact O-CB 3.38Å; K293-A297 PolarHBondContact O-N 2.58Å; C294-A297 PolarHBondContact O-N 2.84Å; A297-I299 PolarHBondContact O-N 2.93Å; A297-A300 WeakPolarHBondContact O-CB 3.35Å; A297-A300 PolarHBondContact O-N 3.42Å; A297-G301 PolarHBondContact O-N 2.74Å
298A98.9Very high98.1Very high1 Ų111 Ų111%0.0086%0.058CC..Hα-helixtrans-63.2-40.2176.700000111.9C294 G301 L302 A506C294-A298 WeakPolarHBondContact O-CB 3.39Å; C294-A298 PolarHBondContact O-N 3.21Å; A298-G301 PolarHBondContact O-N 2.94Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.22Å; A298-A506 VanDerWaalsContact CB-O 3.3Å; A298-A506 WeakPolarHBondContact CB-O 3.36Å
299I99Very high98.2Very high0 Ų011.2 Ų11.20%06%0.056CC..Hα-helixtrans-63.5-45.7173.6-64.6165.7000110.7L266 G268 G295 A296 A297 G301 L302 M303 A318 L320 I381L266-I299 HydrophobicContact CB-CD1 3.97Å; L266-I299 HydrophobicContact CB-CG1 4.24Å; L266-I299 HydrophobicContact CB-CG2 3.89Å; L266-I299 HydrophobicContact CD1-CG2 3.85Å; G268-I299 VanDerWaalsContact CA-CD1 3.46Å; G295-I299 PolarHBondContact O-N 2.96Å; A296-I299 PolarHBondContact O-N 2.87Å; A297-I299 PolarHBondContact O-N 2.93Å; I299-G301 VanDerWaalsContact C-N 3.3Å; I299-G301 PolarHBondContact O-N 3.42Å; I299-L302 WeakPolarHBondContact O-CB 3.45Å; I299-L302 PolarHBondContact O-N 2.95Å; I299-L302 VanDerWaalsContact O-N 3.13Å; I299-M303 HydrophobicContact CG2-CG 4.36Å; I299-M303 WeakPolarHBondContact O-CG 3.36Å; I299-M303 PolarHBondContact O-N 3.33Å; I299-A318 HydrophobicContact CG2-CB 3.59Å; I299-L320 HydrophobicContact CB-CD2 3.76Å; I299-L320 HydrophobicContact CD1-CD2 3.98Å; I299-L320 HydrophobicContact CG1-CD2 4.49Å; I299-L320 HydrophobicContact CG2-CD2 3.68Å; I299-I381 HydrophobicContact CD1-CB 3.96Å; I299-I381 HydrophobicContact CD1-CD1 4.14Å; I299-I381 HydrophobicContact CD1-CG1 4.04Å; I299-I381 HydrophobicContact CG1-CB 4.2Å; I299-I381 HydrophobicContact CG1-CD1 3.69Å; I299-I381 HydrophobicContact CG1-CG1 4.15Å
300A98.9Very high98.2Very high0 Ų012.1 Ų12.10%06%0.06CC..Hα-helixtrans-58.1-43.3176.700000112.3L184 I188 L205 A296 A297 M303 K304 L320L184-A300 HydrophobicContact CD2-CB 4.46Å; I188-A300 HydrophobicContact CD1-CB 4.25Å; L205-A300 HydrophobicContact CD2-CB 3.48Å; L205-A300 VanDerWaalsContact CD2-CB 3.48Å; A296-A300 PolarHBondContact O-N 2.87Å; A297-A300 WeakPolarHBondContact O-CB 3.35Å; A297-A300 PolarHBondContact O-N 3.42Å; A300-M303 PolarHBondContact O-N 3.24Å; A300-K304 PolarHBondContact O-N 2.87Å; A300-L320 HydrophobicContact CB-CD1 4.13Å
301G98.8Very high98.1Very high0 Ų010.9 Ų10.90%05%0.054CC..Hα-helixtrans-60.9-43.817300000112.8G181 A297 A298 I299 M303 K304 T305G181-G301 WeakPolarHBondContact CA-O 3.19Å; G181-G301 WeakPolarHBondContact O-CA 3.33Å; A297-G301 PolarHBondContact O-N 2.74Å; A298-G301 PolarHBondContact O-N 2.94Å; I299-G301 VanDerWaalsContact C-N 3.3Å; I299-G301 PolarHBondContact O-N 3.42Å; G301-M303 VanDerWaalsContact C-N 3.3Å; G301-M303 PolarHBondContact O-N 3.48Å; G301-K304 WeakPolarHBondContact O-CB 3.19Å; G301-K304 PolarHBondContact O-N 2.88Å; G301-K304 VanDerWaalsContact O-N 3.17Å; G301-T305 PolarHBondContact O-N 3.23Å; G301-T305 PolarHBondContact O-OG1 3.46Å; G301-T305 VanDerWaalsContact O-OG1 3.13Å
302L98.9Very high98Very high4 Ų411.2 Ų11.22%0.0216%0.057CC..Hα-helixtrans-59.8-41.5174.8178.764.8000111.3L266 A298 I299 K304 T305 I306 L508 F511 A512 I516L266-L302 HydrophobicContact CD1-CD2 3.81Å; A298-L302 WeakPolarHBondContact O-CB 3.37Å; A298-L302 PolarHBondContact O-N 3.22Å; I299-L302 WeakPolarHBondContact O-CB 3.45Å; I299-L302 PolarHBondContact O-N 2.95Å; I299-L302 VanDerWaalsContact O-N 3.13Å; L302-K304 VanDerWaalsContact C-N 3.33Å; L302-K304 PolarHBondContact O-N 3.37Å; L302-T305 WeakPolarHBondContact O-CB 3.33Å; L302-T305 PolarHBondContact O-N 3.46Å; L302-I306 HydrophobicContact CD1-CD1 4.23Å; L302-I306 HydrophobicContact CD1-CG1 4.4Å; L302-I306 HydrophobicContact CG-CD1 3.89Å; L302-I306 HydrophobicContact CG-CG1 4.46Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.37Å; L302-I306 PolarHBondContact O-N 2.88Å; L302-L508 HydrophobicContact CB-CG 4.29Å; L302-F511 HydrophobicContact CD1-CB 4.12Å; L302-F511 HydrophobicContact CD2-CB 3.69Å; L302-F511 HydrophobicContact CD2-CD1 4.1Å; L302-F511 HydrophobicContact CD2-CG 4.16Å; L302-A512 HydrophobicContact CD1-CB 4.39Å; L302-I516 HydrophobicContact CD1-CG1 4.33Å
303M98.8Very high97.9Very high0 Ų010.8 Ų10.80%06%0.057CC..Hα-helixtrans-65.1-35.5176.7-65.8-53.2-6800112.5V250 I299 A300 G301 I306 G307 V316 A318V250-M303 HydrophobicContact CB-CE 4.35Å; V250-M303 HydrophobicContact CB-CG 4.13Å; V250-M303 HydrophobicContact CG1-CB 3.79Å; V250-M303 HydrophobicContact CG1-CE 3.78Å; V250-M303 HydrophobicContact CG1-CG 3.86Å; I299-M303 HydrophobicContact CG2-CG 4.36Å; I299-M303 WeakPolarHBondContact O-CG 3.36Å; I299-M303 PolarHBondContact O-N 3.33Å; A300-M303 PolarHBondContact O-N 3.24Å; G301-M303 VanDerWaalsContact C-N 3.3Å; G301-M303 PolarHBondContact O-N 3.48Å; M303-I306 PolarHBondContact O-N 2.83Å; M303-I306 HydrophobicContact SD-CD1 4.1Å; M303-G307 PolarHBondContact O-N 2.76Å; M303-V316 HydrophobicContact CE-CB 4.11Å; M303-V316 HydrophobicContact CE-CG1 4.12Å; M303-V316 HydrophobicContact SD-CB 3.97Å; M303-V316 HydrophobicContact SD-CG1 3.45Å; M303-V316 WeakPolarHBondContact SD-CG1 3.37Å; M303-A318 HydrophobicContact CG-CB 4.29Å; M303-A318 HydrophobicContact SD-CB 4.44Å
304K98.7Very high97.9Very high28 Ų2810.8 Ų10.812%0.1226%0.057CC..Hα-helixtrans-61.9-48.4170.8177.260.1165.8-175.10111.1E180 L184 A208 L209 L212 A300 G301 L302 I306 G307 L308E180-K304 HydrophobicContact CB-CG 4.25Å; L184-K304 HydrophobicContact CD2-CB 3.73Å; L184-K304 HydrophobicContact CD2-CG 4.25Å; A208-K304 PolarHBondContact O-NZ 2.97Å; L209-K304 HydrophobicContact CD2-CB 3.79Å; L209-K304 HydrophobicContact CD2-CD 4.1Å; L212-K304 HydrophobicContact CD1-CD 3.59Å; A300-K304 PolarHBondContact O-N 2.87Å; G301-K304 WeakPolarHBondContact O-CB 3.19Å; G301-K304 PolarHBondContact O-N 2.88Å; G301-K304 VanDerWaalsContact O-N 3.17Å; L302-K304 VanDerWaalsContact C-N 3.33Å; L302-K304 PolarHBondContact O-N 3.37Å; K304-I306 VanDerWaalsContact C-N 3.33Å; K304-I306 PolarHBondContact O-N 3.1Å; K304-G307 PolarHBondContact O-N 2.48Å; K304-L308 HydrophobicContact CD-CD1 4.17Å; K304-L308 HydrophobicContact CD-CG 4.37Å; K304-L308 HydrophobicContact CG-CD1 4.25Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 2.69Å; K304-L308 VanDerWaalsContact O-N 3.08Å
305T98.7Very high97.8Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-57-46.2175.8-56.50000111.5A177 I178 G301 L302 L308 L309A177-T305 PolarHBondContact O-OG1 2.9Å; I178-T305 HydrophobicContact CG1-CG2 3.81Å; G301-T305 PolarHBondContact O-N 3.23Å; G301-T305 PolarHBondContact O-OG1 3.46Å; G301-T305 VanDerWaalsContact O-OG1 3.13Å; L302-T305 WeakPolarHBondContact O-CB 3.33Å; L302-T305 PolarHBondContact O-N 3.46Å; T305-L308 PolarHBondContact O-N 3.09Å; T305-L309 HydrophobicContact CG2-CD1 3.72Å; T305-L309 HydrophobicContact CG2-CG 4.43Å; T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 WeakPolarHBondContact O-CG 3.43Å; T305-L309 PolarHBondContact O-N 3.17Å
306I98.4Very high97.8Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-62.9-45.8178.2-70.1169.2000111.3Y252 L302 M303 K304 L308 L309 Q310 P311 V316 I516Y252-I306 HydrophobicContact CD1-CG2 3.42Å; Y252-I306 VanDerWaalsContact CD1-CG2 3.42Å; Y252-I306 HydrophobicContact CD2-CG2 3.57Å; Y252-I306 HydrophobicContact CE1-CG2 3.71Å; Y252-I306 HydrophobicContact CE2-CG2 3.85Å; Y252-I306 HydrophobicContact CG-CG2 3.33Å; L302-I306 HydrophobicContact CD1-CD1 4.23Å; L302-I306 HydrophobicContact CD1-CG1 4.4Å; L302-I306 HydrophobicContact CG-CD1 3.89Å; L302-I306 HydrophobicContact CG-CG1 4.46Å; L302-I306 VanDerWaalsContact O-CG1 3.24Å; L302-I306 WeakPolarHBondContact O-CG1 3.37Å; L302-I306 PolarHBondContact O-N 2.88Å; M303-I306 PolarHBondContact O-N 2.83Å; M303-I306 HydrophobicContact SD-CD1 4.1Å; K304-I306 VanDerWaalsContact C-N 3.33Å; K304-I306 PolarHBondContact O-N 3.1Å; I306-L308 PolarHBondContact O-N 3.21Å; I306-L309 PolarHBondContact O-N 3.4Å; I306-Q310 WeakPolarHBondContact O-CA 3.24Å; I306-Q310 PolarHBondContact O-N 2.83Å; I306-P311 HydrophobicContact CG2-CG 4.17Å; I306-P311 WeakPolarHBondContact O-CD 3.41Å; I306-V316 HydrophobicContact CD1-CG2 3.84Å; I306-I516 HydrophobicContact CD1-CD1 3.79Å; I306-I516 HydrophobicContact CD1-CG1 4.47Å; I306-I516 HydrophobicContact CG1-CD1 3.58Å; I306-I516 HydrophobicContact CG1-CG1 3.99Å
307G97.4Very high97.8Very high3 Ų312.2 Ų12.23%0.0317%0.067CC..Hα-helixtrans-63.4-28.2179.400000113.6M303 K304 Q310M303-G307 PolarHBondContact O-N 2.76Å; K304-G307 PolarHBondContact O-N 2.48Å; G307-Q310 WeakPolarHBondContact O-CG 3.46Å
308L97.2Very high97.8Very high60 Ų6012.2 Ų12.231%0.3147%0.066SC..Hα-helixtrans-81.8-41.3175.5-69.2172.8000112.8A177 E180 L212 K304 T305 I306A177-L308 HydrophobicContact CB-CB 3.79Å; A177-L308 HydrophobicContact CB-CD1 4.05Å; E180-L308 HydrophobicContact CB-CD1 3.55Å; E180-L308 HydrophobicContact CG-CD1 3.78Å; L212-L308 HydrophobicContact CD2-CD2 3.78Å; L212-L308 HydrophobicContact CD2-CG 4.33Å; K304-L308 HydrophobicContact CD-CD1 4.17Å; K304-L308 HydrophobicContact CD-CG 4.37Å; K304-L308 HydrophobicContact CG-CD1 4.25Å; K304-L308 WeakPolarHBondContact O-CG 3.35Å; K304-L308 PolarHBondContact O-N 2.69Å; K304-L308 VanDerWaalsContact O-N 3.08Å; T305-L308 PolarHBondContact O-N 3.09Å; I306-L308 PolarHBondContact O-N 3.21Å
309L97Very high97.8Very high17 Ų1712.5 Ų12.59%0.0897%0.069CC..Hα-helixtrans-86.9-22.7-176.2-65.9177.5000114.2I174 A177 T305 I306 I516 L520I174-L309 HydrophobicContact CG1-CD2 4.27Å; A177-L309 HydrophobicContact CB-CD1 4.09Å; A177-L309 HydrophobicContact CB-CD2 3.54Å; A177-L309 HydrophobicContact CB-CG 3.57Å; T305-L309 HydrophobicContact CG2-CD1 3.72Å; T305-L309 HydrophobicContact CG2-CG 4.43Å; T305-L309 WeakPolarHBondContact O-CB 3.47Å; T305-L309 WeakPolarHBondContact O-CG 3.43Å; T305-L309 PolarHBondContact O-N 3.17Å; I306-L309 PolarHBondContact O-N 3.4Å; L309-I516 HydrophobicContact CB-CG2 4.48Å; L309-I516 HydrophobicContact CD1-CG2 4.04Å; L309-L520 HydrophobicContact CB-CD1 3.88Å; L309-L520 HydrophobicContact CD1-CD1 3.7Å; L309-L520 HydrophobicContact CD2-CD1 4.15Å; L309-L520 HydrophobicContact CG-CD1 4.11Å
310Q96.4Very high97.8Very high68 Ų6812.5 Ų12.532%0.3187%0.069SC..  trans51.951.8175.4-42.2-161.7-70.100114.2K213 Y252 I306 G307 D312K213-Q310 VanDerWaalsContact CG-NE2 3.29Å; K213-Q310 PolarHBondContact O-NE2 3.32Å; Y252-Q310 VanDerWaalsContact OH-CA 3.29Å; Y252-Q310 WeakPolarHBondContact OH-CA 3.31Å; I306-Q310 WeakPolarHBondContact O-CA 3.24Å; I306-Q310 PolarHBondContact O-N 2.83Å; G307-Q310 WeakPolarHBondContact O-CG 3.46Å; Q310-D312 PolarHBondContact O-N 3.3Å
311P96.3Very high97.8Very high0 Ų012.5 Ų12.50%07%0.069CC..  trans-61.6136.7179.730.2-38.2000111.2Y252 I306 I314 I516 R519 L520Y252-P311 HydrophobicContact CE1-CG 4.21Å; Y252-P311 WeakPolarHBondContact CE1-O 3.42Å; Y252-P311 PolarHBondContact OH-O 3.44Å; I306-P311 HydrophobicContact CG2-CG 4.17Å; I306-P311 WeakPolarHBondContact O-CD 3.41Å; P311-I314 HydrophobicContact CB-CG2 3.9Å; P311-I314 HydrophobicContact CG-CG2 3.7Å; P311-I516 HydrophobicContact CB-CG2 4.16Å; P311-I516 HydrophobicContact CG-CD1 4.11Å; P311-I516 HydrophobicContact CG-CG2 3.98Å; P311-R519 HydrophobicContact CB-CB 4Å; P311-L520 HydrophobicContact CB-CD2 4.5Å
312D94.8Very high97.8Very high31 Ų3112.5 Ų12.517%0.1667%0.069CC..SBendtrans-81.3163.8174.7-67.5-37.6000112.4N256 K258 Q310 I314 R519N256-D312 WeakPolarHBondContact CB-OD1 3.43Å; N256-D312 PolarHBondContact ND2-OD1 2.75Å; K258-D312 HydrophobicContact CB-CB 4.3Å; K258-D312 HydrophobicContact CD-CB 3.77Å; K258-D312 WeakPolarHBondContact CE-OD2 3.17Å; K258-D312 HydrophobicContact CG-CB 4.41Å; K258-D312 IonicContact NZ-OD2 3.83Å; K258-D312 PolarHBondContact NZ-OD2 2.94Å; Q310-D312 PolarHBondContact O-N 3.3Å; D312-I314 PolarHBondContact O-N 2.88Å; D312-I314 VanDerWaalsContact O-N 3.12Å; D312-R519 VanDerWaalsContact O-CD 3.23Å; D312-R519 WeakPolarHBondContact O-CD 3Å
313G95Very high97.8Very high5 Ų512.3 Ų12.35%0.0527%0.068CC..SBendtrans72.52.6170.100000114.9E259 D261 T262E259-G313 WeakPolarHBondContact O-CA 3.44Å; D261-G313 PolarHBondContact N-O 2.9Å; D261-G313 VanDerWaalsContact OD1-O 3.07Å; T262-G313 PolarHBondContact N-O 2.82Å
314I97.1Very high97.8Very high0 Ų013.1 Ų13.10%07%0.071CC..EExtended strand (participates in β ladder)trans-124.7137.9177.4-176.5160.4000110.9Y252 P254 T262 L264 P311 D312 V316 I516Y252-I314 HydrophobicContact CE1-CG2 4.27Å; Y252-I314 WeakPolarHBondContact CE1-O 3.14Å; P254-I314 VanDerWaalsContact CD-O 3.27Å; P254-I314 WeakPolarHBondContact CD-O 3.08Å; T262-I314 WeakPolarHBondContact O-CA 3.47Å; L264-I314 HydrophobicContact CD1-CD1 3.75Å; L264-I314 HydrophobicContact CG-CD1 3.93Å; L264-I314 HydrophobicContact CG-CG1 4.42Å; P311-I314 HydrophobicContact CB-CG2 3.9Å; P311-I314 HydrophobicContact CG-CG2 3.7Å; D312-I314 PolarHBondContact O-N 2.88Å; D312-I314 VanDerWaalsContact O-N 3.12Å; I314-V316 HydrophobicContact CD1-CG2 4.31Å; I314-V316 HydrophobicContact CG1-CG2 4.08Å; I314-I516 HydrophobicContact CD1-CD1 4.2Å
315S98Very high97.8Very high18 Ų1811.8 Ų11.813%0.1267%0.066CC..EExtended strand (participates in β ladder)trans-114.5148.7163.668.30000110.3Y252 T262 S263 L264Y252-S315 WeakPolarHBondContact O-CA 3.26Å; T262-S315 PolarHBondContact O-N 3.33Å; S263-S315 CarbonylContact C-O 3.5Å; S263-S315 WeakPolarHBondContact CA-O 3.28Å; S263-S315 WeakPolarHBondContact CB-OG 3.39Å; S263-S315 PolarHBondContact OG-OG 3.13Å; L264-S315 PolarHBondContact N-O 3.48Å
316V98.7Very high97.8Very high3 Ų312.5 Ų12.52%0.0187%0.071CC..EExtended strand (participates in β ladder)trans-133.1131.3177.5-173.50000109.2D251 Y252 L264 L266 M303 I306 I314D251-V316 CarbonylContact C-O 3.59Å; D251-V316 WeakPolarHBondContact CA-O 3.29Å; Y252-V316 PolarHBondContact N-O 2.58Å; Y252-V316 PolarHBondContact O-N 3.08Å; L264-V316 HydrophobicContact CB-CB 4.49Å; L264-V316 HydrophobicContact CB-CG1 4.18Å; L264-V316 HydrophobicContact CB-CG2 4.12Å; L264-V316 HydrophobicContact CD1-CG2 4.2Å; L264-V316 HydrophobicContact CG-CG2 4.33Å; L264-V316 CarbonylContact O-C 3.53Å; L264-V316 WeakPolarHBondContact O-CA 3.22Å; L266-V316 HydrophobicContact CD1-CG1 3.68Å; L266-V316 HydrophobicContact CG-CG1 4.01Å; M303-V316 HydrophobicContact CE-CB 4.11Å; M303-V316 HydrophobicContact CE-CG1 4.12Å; M303-V316 HydrophobicContact SD-CB 3.97Å; M303-V316 HydrophobicContact SD-CG1 3.45Å; M303-V316 WeakPolarHBondContact SD-CG1 3.37Å; I306-V316 HydrophobicContact CD1-CG2 3.84Å; I314-V316 HydrophobicContact CD1-CG2 4.31Å; I314-V316 HydrophobicContact CG1-CG2 4.08Å
317S98.8Very high97.8Very high18 Ų1817.1 Ų17.113%0.1269%0.094CC..EExtended strand (participates in β ladder)trans-123.3111.1171.1-171.90000108.2D251 L264 F265 L266D251-S317 VanDerWaalsContact OD1-CA 3.3Å; D251-S317 WeakPolarHBondContact OD1-CA 3.44Å; D251-S317 WeakPolarHBondContact OD1-CB 3.47Å; D251-S317 PolarHBondContact OD1-OG 2.92Å; L264-S317 PolarHBondContact O-N 3.23Å; F265-S317 CarbonylContact C-O 3.58Å; F265-S317 VanDerWaalsContact CA-O 3.29Å; F265-S317 WeakPolarHBondContact CA-O 3.1Å; L266-S317 PolarHBondContact N-O 2.84Å
318A98.9Very high97.7Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-104.3134.4179.800000110.9H249 V250 L266 I299 M303 L320H249-A318 CarbonylContact C-O 3.53Å; H249-A318 WeakPolarHBondContact CA-O 3.39Å; V250-A318 HydrophobicContact CB-CB 4.32Å; V250-A318 PolarHBondContact N-O 3.24Å; V250-A318 WeakPolarHBondContact O-CB 3.43Å; V250-A318 PolarHBondContact O-N 2.94Å; L266-A318 HydrophobicContact CB-CB 4.17Å; L266-A318 CarbonylContact O-C 3.58Å; L266-A318 WeakPolarHBondContact O-CA 3.16Å; I299-A318 HydrophobicContact CG2-CB 3.59Å; M303-A318 HydrophobicContact CG-CB 4.29Å; M303-A318 HydrophobicContact SD-CB 4.44Å; A318-L320 HydrophobicContact CB-CD2 4.49Å
319G98.9Very high97.7Very high7 Ų721.7 Ų21.77%0.07214%0.137CC..EExtended strand (participates in β ladder)trans-117.3118168.100000110.3L266 V267 G268L266-G319 PolarHBondContact O-N 3.14Å; V267-G319 VanDerWaalsContact CA-O 3.32Å; V267-G319 WeakPolarHBondContact CA-O 3.43Å; G268-G319 PolarHBondContact N-O 3.18Å
320L98.9Very high97.6Very high0 Ų025.4 Ų25.40%015%0.154CC..EExtended strand (participates in β ladder)trans-113.3123.1-174.6-50.2-179.4000110L205 V248 V250 A296 I299 A300 A318 F322L205-L320 HydrophobicContact CD1-CD1 4.25Å; V248-L320 HydrophobicContact CB-CB 4.33Å; V248-L320 PolarHBondContact N-O 3.44Å; V248-L320 PolarHBondContact O-N 2.81Å; V250-L320 HydrophobicContact CG2-CD1 4.4Å; A296-L320 HydrophobicContact CB-CB 4.26Å; A296-L320 HydrophobicContact CB-CD2 4.16Å; I299-L320 HydrophobicContact CB-CD2 3.76Å; I299-L320 HydrophobicContact CD1-CD2 3.98Å; I299-L320 HydrophobicContact CG1-CD2 4.49Å; I299-L320 HydrophobicContact CG2-CD2 3.68Å; A300-L320 HydrophobicContact CB-CD1 4.13Å; A318-L320 HydrophobicContact CB-CD2 4.49Å; L320-F322 HydrophobicContact CB-CD2 4.16Å; L320-F322 HydrophobicContact CB-CE2 3.55Å; L320-F322 HydrophobicContact CB-CZ 3.95Å; L320-F322 HydrophobicContact CD1-CE2 3.87Å; L320-F322 HydrophobicContact CD1-CZ 3.95Å; L320-F322 HydrophobicContact CG-CE2 4.37Å; L320-F322 PolarHBondContact O-N 3.05Å
321A98.8Very high97.7Very high0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-9690.2-179.300000111.1M230 G268 G270 V323 V358 L362M230-A321 HydrophobicContact CE-CB 3.61Å; M230-A321 HydrophobicContact SD-CB 4.28Å; G268-A321 PolarHBondContact O-N 2.84Å; G268-A321 VanDerWaalsContact O-N 3.11Å; G270-A321 CarbonylContact C-O 3.49Å; G270-A321 WeakPolarHBondContact CA-O 3.5Å; G270-A321 PolarHBondContact N-O 3.28Å; A321-V323 PolarHBondContact O-N 3.33Å; A321-V358 HydrophobicContact CB-CB 3.94Å; A321-V358 HydrophobicContact CB-CG2 4.04Å; A321-L362 HydrophobicContact CB-CD1 3.8Å
322F98.9Very high97.8Very high0 Ų023 Ų230%015%0.145CC..EExtended strand (participates in β ladder)trans-89.2100.9175-63-66.4000110.7I188 A198 I201 L205 G245 R246 V248 G270 T272 A296 L320I188-F322 HydrophobicContact CG2-CE1 4.31Å; A198-F322 HydrophobicContact CB-CB 3.75Å; A198-F322 WeakPolarHBondContact CB-O 3.46Å; I201-F322 HydrophobicContact CB-CD1 4.47Å; I201-F322 HydrophobicContact CB-CG 4.44Å; I201-F322 HydrophobicContact CD1-CD1 3.6Å; I201-F322 HydrophobicContact CD1-CE1 3.99Å; I201-F322 HydrophobicContact CD1-CG 4.2Å; I201-F322 HydrophobicContact CG2-CD1 3.95Å; I201-F322 HydrophobicContact CG2-CD2 3.89Å; I201-F322 HydrophobicContact CG2-CE1 3.69Å; I201-F322 HydrophobicContact CG2-CE2 3.62Å; I201-F322 HydrophobicContact CG2-CG 4.04Å; I201-F322 HydrophobicContact CG2-CZ 3.52Å; L205-F322 HydrophobicContact CD1-CE2 3.57Å; L205-F322 HydrophobicContact CD1-CZ 3.98Å; G245-F322 CarbonylContact C-O 3.56Å; G245-F322 WeakPolarHBondContact CA-O 3.4Å; R246-F322 PolarHBondContact N-O 3.34Å; R246-F322 PolarHBondContact O-N 2.99Å; V248-F322 HydrophobicContact CB-CD2 4.3Å; V248-F322 HydrophobicContact CB-CE2 4.18Å; V248-F322 HydrophobicContact CG2-CD2 3.79Å; V248-F322 HydrophobicContact CG2-CE2 4.03Å; G270-F322 VanDerWaalsContact O-CA 3.29Å; G270-F322 WeakPolarHBondContact O-CA 3.27Å; T272-F322 HydrophobicContact CG2-CB 4.32Å; A296-F322 HydrophobicContact CB-CD1 4.44Å; A296-F322 HydrophobicContact CB-CE1 3.62Å; A296-F322 HydrophobicContact CB-CZ 3.83Å; L320-F322 HydrophobicContact CB-CD2 4.16Å; L320-F322 HydrophobicContact CB-CE2 3.55Å; L320-F322 HydrophobicContact CB-CZ 3.95Å; L320-F322 HydrophobicContact CD1-CE2 3.87Å; L320-F322 HydrophobicContact CD1-CZ 3.95Å; L320-F322 HydrophobicContact CG-CE2 4.37Å; L320-F322 PolarHBondContact O-N 3.05Å
323V98.8Very high97.9Very high0 Ų024.8 Ų24.80%016%0.157CC..EExtended strand (participates in β ladder)trans-135152.3-176.2178.90000109V222 M230 V233 N234 G270 I271 T272 A321 V358V222-V323 HydrophobicContact CG2-CG2 4.25Å; M230-V323 HydrophobicContact CG-CG2 3.72Å; M230-V323 HydrophobicContact SD-CG2 4.07Å; V233-V323 HydrophobicContact CB-CG1 4.28Å; V233-V323 HydrophobicContact CG1-CG1 3.87Å; N234-V323 HydrophobicContact CB-CG1 3.77Å; G270-V323 PolarHBondContact O-N 3.38Å; G270-V323 VanDerWaalsContact O-N 3.16Å; I271-V323 CarbonylContact C-O 3.58Å; I271-V323 VanDerWaalsContact CA-O 3.26Å; I271-V323 WeakPolarHBondContact CA-O 3.38Å; I271-V323 HydrophobicContact CD1-CB 4.26Å; T272-V323 PolarHBondContact N-O 3.04Å; T272-V323 PolarHBondContact OG1-O 2.72Å; A321-V323 PolarHBondContact O-N 3.33Å; V323-V358 HydrophobicContact CB-CG1 4.26Å; V323-V358 HydrophobicContact CG1-CG1 4.47Å; V323-V358 HydrophobicContact CG2-CG1 4.28Å
324R98.6Very high98Very high18 Ų1826.1 Ų26.17%0.06817%0.167CC..EExtended strand (participates in β ladder)trans-104.6126.4167.2-168.7175.8-78.8-163.14.1108.9P193 E194 A237 H243 T272 F273 S326P193-R324 VanDerWaalsContact C-NH2 3.32Å; P193-R324 PolarHBondContact O-NH2 3.27Å; E194-R324 IonicContact OE1-CZ 2.67Å; E194-R324 IonicContact OE1-NH1 2.96Å; E194-R324 PolarHBondContact OE1-NH1 3.01Å; E194-R324 IonicContact OE1-NH2 3.76Å; E194-R324 PolarHBondContact OE1-NH2 3.16Å; E194-R324 IonicContact OE2-NH2 3.88Å; A237-R324 HydrophobicContact CB-CB 4.06Å; A237-R324 WeakPolarHBondContact CB-O 3.3Å; H243-R324 VanDerWaalsContact CD2-CZ 3.44Å; H243-R324 PolarHBondContact CE1-NH1 2.96Å; H243-R324 VanDerWaalsContact NE2-CZ 3.3Å; H243-R324 PolarHBondContact NE2-NH1 3.02Å; H243-R324 PolarHBondContact NE2-NH2 3.09Å; T272-R324 WeakPolarHBondContact OG1-CB 3.19Å; F273-R324 HydrophobicContact CB-CG 3.93Å; F273-R324 WeakPolarHBondContact O-CG 3.42Å; R324-S326 WeakPolarHBondContact CG-OG 3.42Å; R324-S326 PolarHBondContact O-N 3.16Å; R324-S326 VanDerWaalsContact O-N 3.11Å
325N98.6Very high97.9Very high0 Ų031.5 Ų31.50%020%0.195CC..EExtended strand (participates in β ladder)trans-82.591.8172.6-171.425.1000108.4V233 I271 F273 D274 T275 G276 G277 T351 E354V233-N325 HydrophobicContact CG1-CB 4.04Å; I271-N325 HydrophobicContact CG2-CB 4.32Å; F273-N325 PolarHBondContact O-N 2.87Å; F273-N325 VanDerWaalsContact O-N 3.07Å; D274-N325 WeakPolarHBondContact OD1-CB 3.25Å; D274-N325 PolarHBondContact OD1-ND2 2.82Å; T275-N325 PolarHBondContact N-O 3.48Å; T275-N325 PolarHBondContact OG1-O 3.4Å; G276-N325 VanDerWaalsContact C-ND2 3.31Å; G277-N325 PolarHBondContact N-ND2 3.45Å; N325-T351 PolarHBondContact ND2-O 2.8Å; N325-E354 HydrophobicContact CB-CB 4.35Å; N325-E354 HydrophobicContact CB-CG 3.79Å
326S98.2Very high98Very high15 Ų1532.8 Ų32.811%0.10520%0.2CC..  trans-101.8149.8-172.6-54.80000111.3A236 R324 S331A236-S326 WeakPolarHBondContact CB-O 3.37Å; R324-S326 WeakPolarHBondContact CG-OG 3.42Å; R324-S326 PolarHBondContact O-N 3.16Å; R324-S326 VanDerWaalsContact O-N 3.11Å; S326-S331 PolarHBondContact O-OG 3.4Å
327I97.6Very high97.9Very high97 Ų9735.8 Ų35.850%0.49722%0.215SC..  trans-93.4135.6162.9-172.4163.7000110.9T275 G277 V280 S331T275-I327 PolarHBondContact OG1-N 3.46Å; G277-I327 WeakPolarHBondContact O-CB 3.45Å; V280-I327 HydrophobicContact CG2-CD1 3.28Å; V280-I327 HydrophobicContact CG2-CG1 4.45Å; I327-S331 VanDerWaalsContact CA-OG 3.28Å; I327-S331 WeakPolarHBondContact CA-OG 3.4Å
328G96.7Very high97.9Very high40 Ų4035.9 Ų35.941%0.41221%0.214SC..SBendtrans-176.8-176.7178.100000112.4E330 S331G328-E330 PolarHBondContact O-N 3.38Å; G328-E330 VanDerWaalsContact O-N 3.12Å; G328-S331 PolarHBondContact N-OG 3.24Å; G328-S331 WeakPolarHBondContact O-CB 3.47Å; G328-S331 PolarHBondContact O-N 3.04Å; G328-S331 PolarHBondContact O-OG 3.01Å
329S96.2Very high97.9Very high119 Ų11941 Ų4183%0.83224%0.24SC*.THydrogen-bonded Turntrans-58.9-25.317956.40000113.5
330E95.9Very high97.9Very high94 Ų9440.8 Ų40.844%0.43924%0.238SC..THydrogen-bonded Turntrans-105.324.7179.7-66.8-59.7140.700112R235 A236 V239 G328R235-E330 CarbonylContact C-O 3.38Å; R235-E330 WeakPolarHBondContact CB-O 3.36Å; R235-E330 WeakPolarHBondContact CD-O 3.48Å; R235-E330 HydrophobicContact CG-CB 4.13Å; R235-E330 WeakPolarHBondContact CG-O 3.48Å; A236-E330 PolarHBondContact N-O 3.11Å; V239-E330 HydrophobicContact CG1-CG 4.08Å; G328-E330 PolarHBondContact O-N 3.38Å; G328-E330 VanDerWaalsContact O-N 3.12Å
331S97.8Very high97.9Very high17 Ų1744.7 Ų44.712%0.11925%0.252CS..  trans-65.1139.5174.2-760000111S326 I327 G328S326-S331 PolarHBondContact O-OG 3.4Å; I327-S331 VanDerWaalsContact CA-OG 3.28Å; I327-S331 WeakPolarHBondContact CA-OG 3.4Å; G328-S331 PolarHBondContact N-OG 3.24Å; G328-S331 WeakPolarHBondContact O-CB 3.47Å; G328-S331 PolarHBondContact O-N 3.04Å; G328-S331 PolarHBondContact O-OG 3.01Å
332Y97.8Very high97.9Very high2 Ų246 Ų461%0.00826%0.261CS..  trans-70.2149.5158.483-60000109.5A232 V233 E336 I348 T351 E354A232-Y332 HydrophobicContact CB-CD2 4.13Å; A232-Y332 HydrophobicContact CB-CG 4.18Å; A232-Y332 WeakPolarHBondContact O-CD1 3.16Å; V233-Y332 HydrophobicContact CB-CE1 4.33Å; V233-Y332 HydrophobicContact CG2-CE1 4.13Å; V233-Y332 HydrophobicContact CG2-CE2 4.46Å; Y332-E336 WeakPolarHBondContact CA-OE1 3.45Å; Y332-I348 HydrophobicContact CD2-CD1 4.4Å; Y332-I348 HydrophobicContact CD2-CG1 4.19Å; Y332-I348 HydrophobicContact CD2-CG2 4.19Å; Y332-I348 HydrophobicContact CE2-CD1 4.3Å; Y332-I348 HydrophobicContact CE2-CG1 4.4Å; Y332-I348 HydrophobicContact CE2-CG2 3.9Å; Y332-T351 HydrophobicContact CD1-CG2 4.24Å; Y332-T351 HydrophobicContact CD2-CG2 4.07Å; Y332-T351 HydrophobicContact CE1-CG2 3.97Å; Y332-T351 HydrophobicContact CE2-CG2 3.8Å; Y332-T351 HydrophobicContact CG-CG2 4.29Å; Y332-T351 WeakPolarHBondContact O-CG2 3.37Å; Y332-T351 WeakPolarHBondContact OH-CA 3.45Å; Y332-T351 PolarHBondContact OH-O 3.34Å; Y332-E354 WeakPolarHBondContact OH-CB 3.1Å
333V98Very high97.9Very high68 Ų6848 Ų4841%0.41228%0.282SS..  trans-126.3162-174.2-63.30000111.6A278 E336A278-V333 HydrophobicContact CB-CG1 3.92Å; V333-E336 HydrophobicContact CG2-CG 3.93Å; V333-E336 PolarHBondContact N-OE1 3.07Å
334A96.5Very high97.8Very high32 Ų3249.6 Ų49.626%0.26429%0.29SS..THydrogen-bonded Turntrans-55.5157.4167.100000111E336A334-E336 PolarHBondContact O-N 3.33Å; A334-E336 VanDerWaalsContact O-N 3.15Å
335D96.3Very high97.8Very high113 Ų11352.8 Ų52.860%0.60430%0.302SS*.THydrogen-bonded Turntrans69.5-10.4-175.1-65.1-47.8000117.2R347 I348D335-R347 IonicContact OD1-NH1 3.26Å; D335-R347 PolarHBondContact OD1-NH1 3.19Å; D335-I348 PolarHBondContact N-O 3.14Å
336E98.1Very high97.8Very high46 Ų4652.8 Ų52.822%0.21530%0.302CS..  trans-57.5143.4166.1-74.6-170.2-128.900110.6R235 Y332 V333 A334 I338 R347 I348R235-E336 IonicContact CZ-OE1 3.07Å; R235-E336 IonicContact CZ-OE2 3.75Å; R235-E336 IonicContact NH1-OE1 2.76Å; R235-E336 PolarHBondContact NH1-OE1 3.32Å; R235-E336 IonicContact NH1-OE2 2.88Å; R235-E336 PolarHBondContact NH1-OE2 3.36Å; R235-E336 IonicContact NH2-OE1 3.51Å; R235-E336 IonicContact NH2-OE2 3.7Å; R235-E336 PolarHBondContact NH2-OE2 3.39Å; Y332-E336 WeakPolarHBondContact CA-OE1 3.45Å; V333-E336 HydrophobicContact CG2-CG 3.93Å; V333-E336 PolarHBondContact N-OE1 3.07Å; A334-E336 PolarHBondContact O-N 3.33Å; A334-E336 VanDerWaalsContact O-N 3.15Å; E336-I338 HydrophobicContact CB-CG1 4.28Å; E336-R347 WeakPolarHBondContact O-CA 3.49Å; E336-I348 HydrophobicContact CB-CG1 3.95Å; E336-I348 WeakPolarHBondContact O-CG1 3.48Å; E336-I348 PolarHBondContact O-N 3.25Å
337I98.5Very high97.8Very high66 Ų6654.3 Ų54.334%0.33831%0.305SS..EExtended strand (participates in β ladder)trans-113.4117.1170.1-65.5166.4000107.9R345 V346 R347I337-R345 HydrophobicContact CG2-CB 3.79Å; I337-V346 WeakPolarHBondContact CA-O 3.43Å; I337-R347 HydrophobicContact CG1-CB 4.22Å
338I98.6Very high97.8Very high20 Ų2049.7 Ų49.710%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-117.4128.3-174.7-49.8-173.3000108.7P228 L229 A232 E336 A340 V346 I348P228-I338 HydrophobicContact CB-CG2 4.28Å; L229-I338 HydrophobicContact CD2-CB 3.89Å; L229-I338 HydrophobicContact CD2-CG2 3.78Å; A232-I338 HydrophobicContact CB-CD1 3.26Å; E336-I338 HydrophobicContact CB-CG1 4.28Å; I338-A340 PolarHBondContact O-N 3.31Å; I338-V346 PolarHBondContact N-O 2.98Å; I338-V346 PolarHBondContact O-N 3.28Å; I338-I348 HydrophobicContact CD1-CD1 4.06Å; I338-I348 HydrophobicContact CD1-CG1 4.2Å; I338-I348 HydrophobicContact CG1-CD1 4.35Å; I338-I348 HydrophobicContact CG1-CG1 4.42Å
339I98.7Very high97.8Very high106 Ų10648.3 Ų48.354%0.54427%0.267SS..EExtended strand (participates in β ladder)trans-80.4113.7178-58.9173.3000108P228 Q344 R345P228-I339 VanDerWaalsContact CB-O 3.26Å; P228-I339 WeakPolarHBondContact CB-O 3.43Å; P228-I339 WeakPolarHBondContact CG-O 3.25Å; I339-Q344 WeakPolarHBondContact CA-O 3.42Å; I339-R345 HydrophobicContact CG1-CG 4.23Å
340A98.7Very high97.9Very high4 Ų443.8 Ų43.83%0.03323%0.234CC..  trans-66.6163.2175.600000111.7L229 I338 S342 G343 Q344 V346L229-A340 HydrophobicContact CD1-CB 3.62Å; L229-A340 HydrophobicContact CD2-CB 4.21Å; L229-A340 HydrophobicContact CG-CB 3.93Å; I338-A340 PolarHBondContact O-N 3.31Å; A340-S342 PolarHBondContact O-N 3.12Å; A340-S342 VanDerWaalsContact O-N 3.09Å; A340-G343 WeakPolarHBondContact O-CA 3.24Å; A340-G343 PolarHBondContact O-N 2.85Å; A340-Q344 HydrophobicContact CB-CB 4.35Å; A340-Q344 PolarHBondContact N-O 3.46Å; A340-V346 HydrophobicContact CB-CG2 4.32Å
341R98.7Very high97.9Very high81 Ų8139.3 Ų39.331%0.30621%0.213SC..THydrogen-bonded Turntrans-52-33.6172.5-178.9-175.1178.191-0.2112.8K226 G343 D361 C364 E368K226-R341 PolarHBondContact O-NH1 2.98Å; R341-G343 PolarHBondContact O-N 3.32Å; R341-D361 HydrophobicContact CB-CB 4.01Å; R341-D361 VanDerWaalsContact CB-OD1 3.26Å; R341-D361 WeakPolarHBondContact CB-OD1 3.49Å; R341-D361 WeakPolarHBondContact CD-O 3.04Å; R341-D361 PolarHBondContact N-OD1 3Å; R341-C364 HydrophobicContact CB-CB 4.24Å; R341-C364 HydrophobicContact CG-CB 4.27Å; R341-E368 IonicContact CZ-OE1 2.9Å; R341-E368 IonicContact CZ-OE2 2.83Å; R341-E368 IonicContact NE-OE1 3.08Å; R341-E368 PolarHBondContact NE-OE1 2.96Å; R341-E368 IonicContact NE-OE2 3.34Å; R341-E368 PolarHBondContact NE-OE2 2.87Å; R341-E368 IonicContact NH2-OE1 3.85Å; R341-E368 IonicContact NH2-OE2 2.63Å; R341-E368 PolarHBondContact NH2-OE2 2.94Å
342S98.3Very high97.9Very high27 Ų2740.6 Ų40.619%0.18922%0.218CC..THydrogen-bonded Turntrans-72.3-7.6177.965.60000114.4A340 Q344 A471A340-S342 PolarHBondContact O-N 3.12Å; A340-S342 VanDerWaalsContact O-N 3.09Å; S342-Q344 WeakPolarHBondContact OG-CG 3.09Å; S342-Q344 PolarHBondContact OG-N 3.38Å; S342-A471 VanDerWaalsContact CB-O 3.27Å; S342-A471 WeakPolarHBondContact CB-O 3.48Å; S342-A471 PolarHBondContact OG-O 3.05Å
343G98.4Very high97.8Very high43 Ų4341 Ų4144%0.44322%0.222SC..SBendtrans87.7-2.9-17300000114.8A340 R341A340-G343 WeakPolarHBondContact O-CA 3.24Å; A340-G343 PolarHBondContact O-N 2.85Å; R341-G343 PolarHBondContact O-N 3.32Å
344Q98.3Very high97.8Very high33 Ų3337.9 Ų37.915%0.15420%0.203CC..  trans-69.1129.3178-66.6-67.7-62.200111.3I339 A340 S342 V346I339-Q344 WeakPolarHBondContact CA-O 3.42Å; A340-Q344 HydrophobicContact CB-CB 4.35Å; A340-Q344 PolarHBondContact N-O 3.46Å; S342-Q344 WeakPolarHBondContact OG-CG 3.09Å; S342-Q344 PolarHBondContact OG-N 3.38Å; Q344-V346 HydrophobicContact CB-CG2 4.43Å; Q344-V346 PolarHBondContact O-N 3.41Å
345R98.6Very high97.9Very high85 Ų8536.4 Ų36.432%0.32119%0.191SC..EExtended strand (participates in β ladder)trans-78108169.3-61.3173-63155.43.8109.1I337 I339 E442 Y443 D445 L446I337-R345 HydrophobicContact CG2-CB 3.79Å; I339-R345 HydrophobicContact CG1-CG 4.23Å; R345-E442 PolarHBondContact NH1-O 2.97Å; R345-E442 PolarHBondContact NH2-O 3Å; R345-E442 VanDerWaalsContact NH2-O 3.16Å; R345-Y443 VanDerWaalsContact NH1-C 3.31Å; R345-Y443 PolarHBondContact NH1-O 2.88Å; R345-D445 VanDerWaalsContact CB-OD2 3.32Å; R345-D445 WeakPolarHBondContact CB-OD2 3.2Å; R345-D445 WeakPolarHBondContact CG-OD2 3.2Å; R345-D445 IonicContact CZ-OD1 2.93Å; R345-D445 IonicContact CZ-OD2 3.14Å; R345-D445 PolarHBondContact N-OD2 3.11Å; R345-D445 IonicContact NE-OD1 3.14Å; R345-D445 PolarHBondContact NE-OD1 3.29Å; R345-D445 IonicContact NE-OD2 3.92Å; R345-D445 PolarHBondContact NE-OD2 3.4Å; R345-D445 VanDerWaalsContact NE-OD2 3.08Å; R345-D445 IonicContact NH2-OD1 3.76Å; R345-D445 PolarHBondContact NH2-OD1 3.4Å; R345-D445 PolarHBondContact O-N 3.11Å; R345-L446 PolarHBondContact O-N 3.28Å; R345-L446 VanDerWaalsContact O-N 3.13Å
346V98.7Very high98Very high0 Ų031.3 Ų31.30%016%0.163CC..EExtended strand (participates in β ladder)trans-100.9117.1-177.5-179.60000110.1L229 I337 I338 A340 Q344 M357 L446 Q448 F467L229-V346 HydrophobicContact CD1-CG2 4.39Å; L229-V346 HydrophobicContact CD2-CB 4.11Å; L229-V346 HydrophobicContact CD2-CG2 4.17Å; I337-V346 WeakPolarHBondContact CA-O 3.43Å; I338-V346 PolarHBondContact N-O 2.98Å; I338-V346 PolarHBondContact O-N 3.28Å; A340-V346 HydrophobicContact CB-CG2 4.32Å; Q344-V346 HydrophobicContact CB-CG2 4.43Å; Q344-V346 PolarHBondContact O-N 3.41Å; V346-M357 HydrophobicContact CG1-CE 4.46Å; V346-M357 HydrophobicContact CG1-SD 4.22Å; V346-L446 CarbonylContact C-O 3.11Å; V346-L446 WeakPolarHBondContact CA-O 3.41Å; V346-L446 HydrophobicContact CG2-CB 4.43Å; V346-L446 HydrophobicContact CG2-CD2 4.38Å; V346-Q448 HydrophobicContact CG1-CB 4.28Å; V346-F467 HydrophobicContact CG1-CE2 3.83Å; V346-F467 HydrophobicContact CG1-CZ 3.97Å
347R98.3Very high98.1Very high47 Ų4729.1 Ų29.118%0.17715%0.153CC..EExtended strand (participates in β ladder)trans-78.7128.6168.1180179.1-68.7-92.1-3.3110.2D335 E336 I337 G349 E444 L446 L447 Q448D335-R347 IonicContact OD1-NH1 3.26Å; D335-R347 PolarHBondContact OD1-NH1 3.19Å; E336-R347 WeakPolarHBondContact O-CA 3.49Å; I337-R347 HydrophobicContact CG1-CB 4.22Å; R347-G349 PolarHBondContact O-N 3.4Å; R347-E444 HydrophobicContact CB-CB 3.83Å; R347-E444 HydrophobicContact CB-CG 3.75Å; R347-E444 IonicContact CZ-OE2 3.31Å; R347-E444 IonicContact NE-OE2 3.41Å; R347-E444 PolarHBondContact NE-OE2 3.47Å; R347-E444 IonicContact NH2-OE2 3.22Å; R347-E444 PolarHBondContact NH2-OE2 3.29Å; R347-L446 PolarHBondContact N-O 2.81Å; R347-L447 HydrophobicContact CB-CD1 4.28Å; R347-L447 HydrophobicContact CG-CD1 4.22Å; R347-Q448 VanDerWaalsContact O-CB 3.31Å; R347-Q448 WeakPolarHBondContact O-CB 3.29Å; R347-Q448 PolarHBondContact O-N 2.77Å
348I97.7Very high98.1Very high1 Ų126 Ų261%0.00514%0.137CC..PPolyproline II helixtrans-74.3122173.4-51.1-49.5000109Y332 D335 E336 I338 T351 M357Y332-I348 HydrophobicContact CD2-CD1 4.4Å; Y332-I348 HydrophobicContact CD2-CG1 4.19Å; Y332-I348 HydrophobicContact CD2-CG2 4.19Å; Y332-I348 HydrophobicContact CE2-CD1 4.3Å; Y332-I348 HydrophobicContact CE2-CG1 4.4Å; Y332-I348 HydrophobicContact CE2-CG2 3.9Å; D335-I348 PolarHBondContact N-O 3.14Å; E336-I348 HydrophobicContact CB-CG1 3.95Å; E336-I348 WeakPolarHBondContact O-CG1 3.48Å; E336-I348 PolarHBondContact O-N 3.25Å; I338-I348 HydrophobicContact CD1-CD1 4.06Å; I338-I348 HydrophobicContact CD1-CG1 4.2Å; I338-I348 HydrophobicContact CG1-CD1 4.35Å; I338-I348 HydrophobicContact CG1-CG1 4.42Å; I348-T351 HydrophobicContact CG2-CG2 4.07Å; I348-M357 HydrophobicContact CD1-CE 3.21Å; I348-M357 HydrophobicContact CD1-SD 4.17Å
349G96.2Very high98.1Very high10 Ų1025 Ų2510%0.10313%0.132CC..SBendtrans-96.2-40.7176.100000112.3R347R347-G349 PolarHBondContact O-N 3.4Å
350N96.9Very high98.1Very high25 Ų2520 Ų2013%0.13411%0.106CC..  trans-156.1130.1179.4-171.1-52.1000109.7D279 D352 A353 Q448D279-N350 WeakPolarHBondContact CB-OD1 3.23Å; D279-N350 WeakPolarHBondContact OD2-CA 3.34Å; N350-D352 PolarHBondContact O-N 3.45Å; N350-D352 WeakPolarHBondContact OD1-CA 3.26Å; N350-D352 WeakPolarHBondContact OD1-CB 3.48Å; N350-D352 PolarHBondContact OD1-N 2.91Å; N350-A353 WeakPolarHBondContact O-CB 3.49Å; N350-A353 PolarHBondContact O-N 3.34Å; N350-A353 VanDerWaalsContact O-N 3.12Å; N350-Q448 PolarHBondContact O-NE2 3.23Å; N350-Q448 PolarHBondContact O-OE1 3.4Å; N350-Q448 VanDerWaalsContact O-OE1 3.11Å
351T97.2Very high98.1Very high0 Ų019.8 Ų19.80%011%0.105CC..THydrogen-bonded Turntrans-76.1-9-177.263.90000113.8G276 A278 D279 N325 Y332 I348 A353G276-T351 CarbonylContact O-C 3.48Å; G276-T351 WeakPolarHBondContact O-CB 3.41Å; G276-T351 PolarHBondContact O-OG1 2.98Å; A278-T351 HydrophobicContact CB-CG2 4.4Å; A278-T351 PolarHBondContact N-OG1 2.93Å; D279-T351 WeakPolarHBondContact CB-OG1 3.11Å; D279-T351 PolarHBondContact N-OG1 3.26Å; D279-T351 PolarHBondContact OD2-N 3.12Å; D279-T351 PolarHBondContact OD2-OG1 3.1Å; N325-T351 PolarHBondContact ND2-O 2.8Å; Y332-T351 HydrophobicContact CD1-CG2 4.24Å; Y332-T351 HydrophobicContact CD2-CG2 4.07Å; Y332-T351 HydrophobicContact CE1-CG2 3.97Å; Y332-T351 HydrophobicContact CE2-CG2 3.8Å; Y332-T351 HydrophobicContact CG-CG2 4.29Å; Y332-T351 WeakPolarHBondContact O-CG2 3.37Å; Y332-T351 WeakPolarHBondContact OH-CA 3.45Å; Y332-T351 PolarHBondContact OH-O 3.34Å; I348-T351 HydrophobicContact CG2-CG2 4.07Å; T351-A353 PolarHBondContact O-N 3.46Å
352D96.7Very high98.1Very high43 Ų4316.1 Ų16.123%0.239%0.091CC..THydrogen-bonded Turntrans-80.70.5167.4-159.154.4000113G276 K281 N350G276-D352 WeakPolarHBondContact CA-OD1 3.33Å; G276-D352 PolarHBondContact O-N 2.79Å; K281-D352 WeakPolarHBondContact CE-OD1 3.47Å; K281-D352 WeakPolarHBondContact CG-OD1 3.35Å; K281-D352 IonicContact NZ-OD1 4Å; K281-D352 PolarHBondContact NZ-OD1 2.81Å; K281-D352 IonicContact NZ-OD2 2.62Å; K281-D352 PolarHBondContact NZ-OD2 3.37Å; N350-D352 PolarHBondContact O-N 3.45Å; N350-D352 WeakPolarHBondContact OD1-CA 3.26Å; N350-D352 WeakPolarHBondContact OD1-CB 3.48Å; N350-D352 PolarHBondContact OD1-N 2.91Å
353A97.2Very high98.1Very high11 Ų1114.8 Ų14.89%0.0918%0.082CC..  trans-105.237.517200000111.4N350 T351 R356 Q448 C449N350-A353 WeakPolarHBondContact O-CB 3.49Å; N350-A353 PolarHBondContact O-N 3.34Å; N350-A353 VanDerWaalsContact O-N 3.12Å; T351-A353 PolarHBondContact O-N 3.46Å; A353-R356 WeakPolarHBondContact O-CG 3.42Å; A353-Q448 VanDerWaalsContact C-NE2 3.32Å; A353-Q448 HydrophobicContact CB-CG 4.46Å; A353-Q448 PolarHBondContact O-NE2 3.09Å; A353-C449 HydrophobicContact CB-CB 4.33Å; A353-C449 VanDerWaalsContact CB-SG 3.52Å
354E98Very high98.1Very high2 Ų212.8 Ų12.81%0.0096%0.061CC..  trans-68.6-32.5-175.879.8-53.212800114.2V233 K269 I271 N325 Y332 R356 M357 V358V233-E354 HydrophobicContact CG1-CB 3.79Å; V233-E354 HydrophobicContact CG1-CG 4.19Å; V233-E354 HydrophobicContact CG2-CB 3.94Å; K269-E354 WeakPolarHBondContact CE-OE1 3.42Å; K269-E354 IonicContact NZ-OE1 3.25Å; K269-E354 PolarHBondContact NZ-OE1 3.42Å; I271-E354 HydrophobicContact CD1-CG 3.73Å; I271-E354 HydrophobicContact CG1-CG 3.9Å; N325-E354 HydrophobicContact CB-CB 4.35Å; N325-E354 HydrophobicContact CB-CG 3.79Å; Y332-E354 WeakPolarHBondContact OH-CB 3.1Å; E354-R356 VanDerWaalsContact C-N 3.26Å; E354-R356 PolarHBondContact O-N 3.2Å; E354-M357 WeakPolarHBondContact O-CA 3.48Å; E354-M357 WeakPolarHBondContact O-CB 3.49Å; E354-M357 PolarHBondContact O-N 2.94Å; E354-V358 PolarHBondContact O-N 2.87Å
355G98.3Very high98.2Very high1 Ų112.2 Ų12.21%0.016%0.058CC..Hα-helixtrans-59.6-37.2-171.500000113.4M357 V358 M359G355-M357 VanDerWaalsContact C-N 3.33Å; G355-V358 VanDerWaalsContact O-CG2 3.29Å; G355-V358 WeakPolarHBondContact O-CG2 3.41Å; G355-M359 VanDerWaalsContact O-CE 3.28Å; G355-M359 WeakPolarHBondContact O-CE 3.41Å; G355-M359 WeakPolarHBondContact O-CG 3.42Å; G355-M359 PolarHBondContact O-N 3.01Å
356R98.2Very high98.2Very high7 Ų78.4 Ų8.43%0.0265%0.045CC..Hα-helixtrans-72.5-27.517573.8-164.776-162.1-1.9112.6A353 E354 A360 Q448 M463 F467 L468A353-R356 WeakPolarHBondContact O-CG 3.42Å; E354-R356 VanDerWaalsContact C-N 3.26Å; E354-R356 PolarHBondContact O-N 3.2Å; R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.37Å; R356-A360 PolarHBondContact O-N 3.36Å; R356-A360 VanDerWaalsContact O-N 3.1Å; R356-Q448 HydrophobicContact CG-CG 4.46Å; R356-Q448 PolarHBondContact NH1-O 3.11Å; R356-M463 VanDerWaalsContact NH1-CE 3.33Å; R356-M463 PolarHBondContact NH1-SD 3.17Å; R356-F467 HydrophobicContact CB-CD1 3.73Å; R356-F467 HydrophobicContact CB-CE1 3.91Å; R356-F467 HydrophobicContact CG-CD1 3.54Å; R356-F467 HydrophobicContact CG-CE1 3.49Å; R356-F467 VanDerWaalsContact CG-CE1 3.49Å; R356-F467 HydrophobicContact CG-CG 4.4Å; R356-F467 HydrophobicContact CG-CZ 4.31Å; R356-L468 HydrophobicContact CB-CD2 4.15Å; R356-L468 HydrophobicContact CB-CG 4.23Å; R356-L468 WeakPolarHBondContact O-CD2 3.46Å
357M98.7Very high98.2Very high0 Ų09.4 Ų9.40%05%0.05CC..Hα-helixtrans-70.9-48.1178.2-61.3-68.3-71.200110.4L229 V233 V346 I348 E354 G355 M359 A360 Q448 F467L229-M357 HydrophobicContact CB-CB 4.32Å; L229-M357 HydrophobicContact CB-CE 3.87Å; L229-M357 WeakPolarHBondContact CB-O 3.38Å; L229-M357 HydrophobicContact CD1-CE 4.47Å; L229-M357 HydrophobicContact CD2-CE 3.48Å; L229-M357 VanDerWaalsContact CD2-CE 3.48Å; L229-M357 HydrophobicContact CD2-SD 4.42Å; L229-M357 HydrophobicContact CG-CE 4.11Å; V233-M357 HydrophobicContact CG2-CB 3.8Å; V346-M357 HydrophobicContact CG1-CE 4.46Å; V346-M357 HydrophobicContact CG1-SD 4.22Å; I348-M357 HydrophobicContact CD1-CE 3.21Å; I348-M357 HydrophobicContact CD1-SD 4.17Å; E354-M357 WeakPolarHBondContact O-CA 3.48Å; E354-M357 WeakPolarHBondContact O-CB 3.49Å; E354-M357 PolarHBondContact O-N 2.94Å; G355-M357 VanDerWaalsContact C-N 3.33Å; M357-M359 PolarHBondContact O-N 3.32Å; M357-A360 PolarHBondContact O-N 2.96Å; M357-Q448 HydrophobicContact CG-CG 4.42Å; M357-Q448 HydrophobicContact SD-CG 3.97Å; M357-F467 HydrophobicContact SD-CE1 4.48Å; M357-F467 HydrophobicContact SD-CZ 3.97Å
358V98.8Very high98.2Very high0 Ų010.6 Ų10.60%06%0.057CC..Hα-helixtrans-66.3-25.1-180-57.60000112.9M230 V233 K269 I271 A321 V323 E354 G355M230-V358 HydrophobicContact CB-CB 4.47Å; M230-V358 WeakPolarHBondContact CE-O 3.38Å; M230-V358 HydrophobicContact CG-CB 4.02Å; M230-V358 HydrophobicContact CG-CG1 4.08Å; V233-V358 HydrophobicContact CB-CG1 3.78Å; V233-V358 HydrophobicContact CG1-CG1 3.87Å; V233-V358 HydrophobicContact CG2-CG1 3.8Å; K269-V358 HydrophobicContact CG-CG2 4.45Å; I271-V358 HydrophobicContact CD1-CG1 3.84Å; I271-V358 HydrophobicContact CD1-CG2 3.94Å; I271-V358 HydrophobicContact CG1-CG2 4.45Å; A321-V358 HydrophobicContact CB-CB 3.94Å; A321-V358 HydrophobicContact CB-CG2 4.04Å; V323-V358 HydrophobicContact CB-CG1 4.26Å; V323-V358 HydrophobicContact CG1-CG1 4.47Å; V323-V358 HydrophobicContact CG2-CG1 4.28Å; E354-V358 PolarHBondContact O-N 2.87Å; G355-V358 VanDerWaalsContact O-CG2 3.29Å; G355-V358 WeakPolarHBondContact O-CG2 3.41Å
359M98.8Very high98.2Very high0 Ų013.9 Ų13.90%07%0.071CC..Hα-helixtrans-88-29.6177.7-69.3-170.1-70.400114V267 K269 G355 M357 D361 L362 L363 T380 A382 L384 L468V267-M359 HydrophobicContact CG1-CB 3.91Å; V267-M359 HydrophobicContact CG1-CG 3.98Å; V267-M359 HydrophobicContact CG1-SD 4.5Å; K269-M359 HydrophobicContact CB-CE 4.19Å; K269-M359 HydrophobicContact CB-CG 4.22Å; K269-M359 HydrophobicContact CB-SD 3.84Å; G355-M359 VanDerWaalsContact O-CE 3.28Å; G355-M359 WeakPolarHBondContact O-CE 3.41Å; G355-M359 WeakPolarHBondContact O-CG 3.42Å; G355-M359 PolarHBondContact O-N 3.01Å; M357-M359 PolarHBondContact O-N 3.32Å; M359-D361 PolarHBondContact O-N 3.44Å; M359-L362 PolarHBondContact O-N 3.34Å; M359-L363 WeakPolarHBondContact O-CB 3.34Å; M359-L363 PolarHBondContact O-N 3.16Å; M359-T380 HydrophobicContact SD-CG2 4.06Å; M359-A382 HydrophobicContact CE-CB 3.57Å; M359-A382 HydrophobicContact SD-CB 3.86Å; M359-L384 HydrophobicContact CE-CD1 4.21Å; M359-L384 HydrophobicContact CE-CD2 4.28Å; M359-L468 HydrophobicContact CB-CD2 4.04Å; M359-L468 HydrophobicContact CE-CD1 3.95Å
360A98.9Very high98.3Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-59.6-42.1-168.200000113.7L229 R356 M357 L363 C364 F467 L468 A471L229-A360 HydrophobicContact CD1-CB 3.57Å; R356-A360 VanDerWaalsContact O-CB 3.3Å; R356-A360 WeakPolarHBondContact O-CB 3.37Å; R356-A360 PolarHBondContact O-N 3.36Å; R356-A360 VanDerWaalsContact O-N 3.1Å; M357-A360 PolarHBondContact O-N 2.96Å; A360-L363 PolarHBondContact O-N 2.97Å; A360-C364 PolarHBondContact O-N 3.35Å; A360-F467 HydrophobicContact CB-CE1 4.41Å; A360-L468 HydrophobicContact CB-CD2 4.27Å; A360-A471 HydrophobicContact CB-CB 3.96Å
361D98.9Very high98.4Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-72.3-38.4179.1-63.6-43.2000112.4Y227 P228 L229 M230 R341 M359 L363 C364 E365Y227-D361 VanDerWaalsContact CA-OD2 3.3Å; Y227-D361 WeakPolarHBondContact CA-OD2 3.46Å; Y227-D361 HydrophobicContact CD1-CB 3.82Å; Y227-D361 HydrophobicContact CG-CB 4.47Å; P228-D361 WeakPolarHBondContact CD-OD2 3.31Å; P228-D361 VanDerWaalsContact N-OD2 3.09Å; L229-D361 WeakPolarHBondContact CA-OD2 3.29Å; L229-D361 VanDerWaalsContact CB-OD2 3.29Å; L229-D361 WeakPolarHBondContact CB-OD2 3.23Å; L229-D361 PolarHBondContact N-OD2 2.84Å; M230-D361 PolarHBondContact N-OD2 3.34Å; R341-D361 HydrophobicContact CB-CB 4.01Å; R341-D361 VanDerWaalsContact CB-OD1 3.26Å; R341-D361 WeakPolarHBondContact CB-OD1 3.49Å; R341-D361 WeakPolarHBondContact CD-O 3.04Å; R341-D361 PolarHBondContact N-OD1 3Å; M359-D361 PolarHBondContact O-N 3.44Å; D361-L363 VanDerWaalsContact C-N 3.27Å; D361-L363 PolarHBondContact O-N 3.01Å; D361-C364 WeakPolarHBondContact O-CB 3.17Å; D361-C364 PolarHBondContact O-N 2.63Å; D361-E365 PolarHBondContact O-N 2.9Å
362L98.9Very high98.3Very high3 Ų322.1 Ų22.12%0.01612%0.118CC..Hα-helixtrans-63.7-36172.1-76.3175.8000111.6Y227 M230 V247 V267 A321 M359 C364 E365 A366Y227-L362 HydrophobicContact CD1-CD2 4.2Å; Y227-L362 HydrophobicContact CD1-CG 4.43Å; Y227-L362 HydrophobicContact CE1-CD2 3.63Å; Y227-L362 HydrophobicContact CE1-CG 4.32Å; M230-L362 HydrophobicContact CE-CD1 3.62Å; M230-L362 HydrophobicContact CE-CD2 4.47Å; M230-L362 HydrophobicContact CE-CG 3.7Å; V247-L362 HydrophobicContact CG1-CD2 3.87Å; V267-L362 HydrophobicContact CG1-CB 3.72Å; V267-L362 HydrophobicContact CG1-CD1 4.28Å; V267-L362 HydrophobicContact CG2-CB 4.22Å; A321-L362 HydrophobicContact CB-CD1 3.8Å; M359-L362 PolarHBondContact O-N 3.34Å; L362-C364 VanDerWaalsContact C-N 3.34Å; L362-E365 WeakPolarHBondContact O-CB 3.45Å; L362-E365 PolarHBondContact O-N 3.17Å; L362-A366 WeakPolarHBondContact O-CB 3.35Å; L362-A366 PolarHBondContact O-N 3.32Å
363L98.9Very high98.3Very high0 Ų022.1 Ų22.10%012%0.119CC..Hα-helixtrans-67.4-36.3175.1-174.259.2000111.6V267 M359 A360 D361 A366 K367 I378 T380 L468 L474 Y487V267-L363 HydrophobicContact CG2-CD1 4.48Å; M359-L363 WeakPolarHBondContact O-CB 3.34Å; M359-L363 PolarHBondContact O-N 3.16Å; A360-L363 PolarHBondContact O-N 2.97Å; D361-L363 VanDerWaalsContact C-N 3.27Å; D361-L363 PolarHBondContact O-N 3.01Å; L363-A366 PolarHBondContact O-N 3.27Å; L363-K367 WeakPolarHBondContact O-CB 3.29Å; L363-K367 PolarHBondContact O-N 3.35Å; L363-I378 HydrophobicContact CD1-CG2 3.39Å; L363-T380 HydrophobicContact CD1-CG2 4.05Å; L363-T380 HydrophobicContact CD2-CG2 4.03Å; L363-T380 HydrophobicContact CG-CG2 4.47Å; L363-L468 HydrophobicContact CD2-CB 3.93Å; L363-L468 HydrophobicContact CD2-CD2 4.34Å; L363-L474 HydrophobicContact CD1-CD1 3.85Å; L363-L474 HydrophobicContact CD2-CD1 3.89Å; L363-L474 HydrophobicContact CG-CD1 3.78Å; L363-Y487 HydrophobicContact CD1-CD2 3.96Å; L363-Y487 HydrophobicContact CD1-CE2 3.74Å; L363-Y487 HydrophobicContact CD2-CD2 4.5Å; L363-Y487 HydrophobicContact CD2-CE2 3.82Å; L363-Y487 HydrophobicContact CG-CE2 4.45Å
364C98.9Very high98.1Very high0 Ų026.7 Ų26.70%014%0.137CC..Hα-helixtrans-63.6-44.5171.5-174.90000111.5R341 A360 D361 L362 K367 E368R341-C364 HydrophobicContact CB-CB 4.24Å; R341-C364 HydrophobicContact CG-CB 4.27Å; A360-C364 PolarHBondContact O-N 3.35Å; D361-C364 WeakPolarHBondContact O-CB 3.17Å; D361-C364 PolarHBondContact O-N 2.63Å; L362-C364 VanDerWaalsContact C-N 3.34Å; C364-K367 WeakPolarHBondContact O-CB 3.4Å; C364-K367 PolarHBondContact O-N 3.1Å; C364-K367 PolarHBondContact SG-NZ 3.4Å; C364-E368 VanDerWaalsContact O-CG 3.31Å; C364-E368 WeakPolarHBondContact O-CG 3.45Å; C364-E368 PolarHBondContact O-N 3.38Å; C364-E368 PolarHBondContact SG-OE1 3.07Å
365E98.8Very high98Very high21 Ų2129.4 Ų29.410%0.09815%0.152CC..Hα-helixtrans-60.7-44.5174-173.4-165.6105.700112Y227 H249 D361 L362 K367 E368 K369Y227-E365 WeakPolarHBondContact CE1-OE2 3.33Å; Y227-E365 PolarHBondContact OH-OE2 2.92Å; H249-E365 IonicContact CD2-OE1 3.93Å; H249-E365 IonicContact CE1-OE1 2.99Å; H249-E365 IonicContact NE2-OE1 2.58Å; H249-E365 PolarHBondContact NE2-OE1 2.88Å; H249-E365 IonicContact NE2-OE2 2.75Å; D361-E365 PolarHBondContact O-N 2.9Å; L362-E365 WeakPolarHBondContact O-CB 3.45Å; L362-E365 PolarHBondContact O-N 3.17Å; E365-K367 VanDerWaalsContact C-N 3.34Å; E365-K367 PolarHBondContact O-N 2.96Å; E365-E368 WeakPolarHBondContact O-CB 3.49Å; E365-E368 PolarHBondContact O-N 3.02Å; E365-K369 WeakPolarHBondContact O-CG 3.44Å; E365-K369 PolarHBondContact O-N 3.08Å; E365-K369 WeakPolarHBondContact OE1-CE 3.4Å; E365-K369 IonicContact OE1-NZ 2.77Å; E365-K369 PolarHBondContact OE1-NZ 3.29Å
366A98.8Very high98Very high6 Ų630.2 Ų30.25%0.0516%0.157CC..Hα-helixtrans-60-43.317600000111.9F265 V267 L362 L363 K369 A370 I378F265-A366 HydrophobicContact CB-CB 3.93Å; F265-A366 HydrophobicContact CD1-CB 4.44Å; F265-A366 HydrophobicContact CG-CB 4.41Å; V267-A366 HydrophobicContact CG2-CB 4.15Å; L362-A366 WeakPolarHBondContact O-CB 3.35Å; L362-A366 PolarHBondContact O-N 3.32Å; L363-A366 PolarHBondContact O-N 3.27Å; A366-K369 PolarHBondContact O-N 3.42Å; A366-A370 VanDerWaalsContact O-CB 3.32Å; A366-A370 WeakPolarHBondContact O-CB 3.49Å; A366-A370 PolarHBondContact O-N 2.79Å; A366-I378 HydrophobicContact CB-CD1 4.38Å; A366-I378 HydrophobicContact CB-CG2 4.16Å
367K98.6Very high98Very high21 Ų2131 Ų319%0.09116%0.16CC..Hα-helixtrans-59.8-45.6173.4171.2-144.867.8-165.50111.3L363 C364 E365 K369 A370 L371 I378 S472 L474 I485L363-K367 WeakPolarHBondContact O-CB 3.29Å; L363-K367 PolarHBondContact O-N 3.35Å; C364-K367 WeakPolarHBondContact O-CB 3.4Å; C364-K367 PolarHBondContact O-N 3.1Å; C364-K367 PolarHBondContact SG-NZ 3.4Å; E365-K367 VanDerWaalsContact C-N 3.34Å; E365-K367 PolarHBondContact O-N 2.96Å; K367-K369 PolarHBondContact O-N 3.15Å; K367-A370 WeakPolarHBondContact O-CB 3.4Å; K367-A370 PolarHBondContact O-N 2.84Å; K367-A370 VanDerWaalsContact O-N 3.14Å; K367-L371 WeakPolarHBondContact O-CG 3.44Å; K367-L371 PolarHBondContact O-N 2.99Å; K367-L371 VanDerWaalsContact O-N 3.16Å; K367-I378 HydrophobicContact CB-CD1 4.26Å; K367-S472 PolarHBondContact NZ-O 2.96Å; K367-L474 HydrophobicContact CB-CD2 4Å; K367-L474 HydrophobicContact CB-CG 4.29Å; K367-L474 HydrophobicContact CD-CD2 4.49Å; K367-L474 HydrophobicContact CG-CD2 3.84Å; K367-L474 HydrophobicContact CG-CG 4.31Å; K367-I485 HydrophobicContact CG-CD1 3.74Å
368E98.6Very high98Very high71 Ų7131 Ų3133%0.33216%0.16SC..Hα-helixtrans-58.9-45.4177.7-71.5157.8-159.200111.8R341 C364 E365 A370 L371R341-E368 IonicContact CZ-OE1 2.9Å; R341-E368 IonicContact CZ-OE2 2.83Å; R341-E368 IonicContact NE-OE1 3.08Å; R341-E368 PolarHBondContact NE-OE1 2.96Å; R341-E368 IonicContact NE-OE2 3.34Å; R341-E368 PolarHBondContact NE-OE2 2.87Å; R341-E368 IonicContact NH2-OE1 3.85Å; R341-E368 IonicContact NH2-OE2 2.63Å; R341-E368 PolarHBondContact NH2-OE2 2.94Å; C364-E368 VanDerWaalsContact O-CG 3.31Å; C364-E368 WeakPolarHBondContact O-CG 3.45Å; C364-E368 PolarHBondContact O-N 3.38Å; C364-E368 PolarHBondContact SG-OE1 3.07Å; E365-E368 WeakPolarHBondContact O-CB 3.49Å; E365-E368 PolarHBondContact O-N 3.02Å; E368-A370 VanDerWaalsContact C-N 3.34Å; E368-A370 PolarHBondContact O-N 3.03Å; E368-L371 PolarHBondContact O-N 2.86Å
369K98.4Very high98Very high71 Ų7131 Ų3131%0.30916%0.161SC..Hα-helixtrans-63.1-39.4174.1-68.7170.4173.3169.90111.8F265 E365 A366 K367 L371 T372 T373F265-K369 HydrophobicContact CD1-CB 4.17Å; F265-K369 HydrophobicContact CD1-CD 4.42Å; F265-K369 HydrophobicContact CE1-CB 3.39Å; F265-K369 HydrophobicContact CE1-CD 4.01Å; F265-K369 HydrophobicContact CE1-CG 4.32Å; F265-K369 HydrophobicContact CZ-CB 3.81Å; E365-K369 WeakPolarHBondContact O-CG 3.44Å; E365-K369 PolarHBondContact O-N 3.08Å; E365-K369 WeakPolarHBondContact OE1-CE 3.4Å; E365-K369 IonicContact OE1-NZ 2.77Å; E365-K369 PolarHBondContact OE1-NZ 3.29Å; A366-K369 PolarHBondContact O-N 3.42Å; K367-K369 PolarHBondContact O-N 3.15Å; K369-L371 VanDerWaalsContact C-N 3.29Å; K369-L371 PolarHBondContact O-N 3.44Å; K369-T372 PolarHBondContact O-N 3.36Å; K369-T372 PolarHBondContact O-OG1 2.94Å; K369-T373 PolarHBondContact O-OG1 3.35Å
370A98.3Very high98Very high3 Ų331 Ų313%0.02516%0.161CC..Hα-helixtrans-64.2-30.1-178.800000113.5F265 A366 K367 E368 T372 T373 P376 I378 I485F265-A370 HydrophobicContact CD2-CB 4.1Å; F265-A370 HydrophobicContact CE2-CB 3.88Å; A366-A370 VanDerWaalsContact O-CB 3.32Å; A366-A370 WeakPolarHBondContact O-CB 3.49Å; A366-A370 PolarHBondContact O-N 2.79Å; K367-A370 WeakPolarHBondContact O-CB 3.4Å; K367-A370 PolarHBondContact O-N 2.84Å; K367-A370 VanDerWaalsContact O-N 3.14Å; E368-A370 VanDerWaalsContact C-N 3.34Å; E368-A370 PolarHBondContact O-N 3.03Å; A370-T372 PolarHBondContact O-N 3.13Å; A370-T373 PolarHBondContact O-N 2.93Å; A370-T373 VanDerWaalsContact O-N 3.09Å; A370-P376 HydrophobicContact CB-CB 3.69Å; A370-P376 HydrophobicContact CB-CG 4.06Å; A370-I378 HydrophobicContact CB-CD1 3.8Å; A370-I378 HydrophobicContact CB-CG1 4.34Å; A370-I485 HydrophobicContact CB-CD1 4.31Å; A370-I485 HydrophobicContact CB-CG2 4.38Å
371L97.8Very high98Very high74 Ų7431.1 Ų31.139%0.38716%0.161SC..THydrogen-bonded Turntrans-58.8-31.1-179.6-70.9170.1000113.8K367 E368 K369 H477 V483 I485K367-L371 WeakPolarHBondContact O-CG 3.44Å; K367-L371 PolarHBondContact O-N 2.99Å; K367-L371 VanDerWaalsContact O-N 3.16Å; E368-L371 PolarHBondContact O-N 2.86Å; K369-L371 VanDerWaalsContact C-N 3.29Å; K369-L371 PolarHBondContact O-N 3.44Å; L371-H477 VanDerWaalsContact CD2-CE1 3.41Å; L371-H477 WeakPolarHBondContact CD2-CE1 3.2Å; L371-V483 HydrophobicContact CD2-CB 4.42Å; L371-V483 HydrophobicContact CD2-CG1 3.92Å; L371-I485 HydrophobicContact CD2-CD1 3.86Å; L371-I485 HydrophobicContact CG-CD1 4.28Å
372T96Very high98Very high130 Ų13031.1 Ų31.180%0.79816%0.161SC*.THydrogen-bonded Turntrans-106.211179.957.30000112.6K369 A370K369-T372 PolarHBondContact O-N 3.36Å; K369-T372 PolarHBondContact O-OG1 2.94Å; A370-T372 PolarHBondContact O-N 3.13Å
373T96.4Very high98Very high43 Ų4331.6 Ų31.626%0.26416%0.164SC..SBendtrans-109.1140.6-172.6-63.30000111.2S263 F265 K369 A370 P376S263-T373 WeakPolarHBondContact OG-CG2 3.13Å; F265-T373 HydrophobicContact CE2-CG2 3.91Å; F265-T373 HydrophobicContact CZ-CG2 3.97Å; K369-T373 PolarHBondContact O-OG1 3.35Å; A370-T373 PolarHBondContact O-N 2.93Å; A370-T373 VanDerWaalsContact O-N 3.09Å; T373-P376 WeakPolarHBondContact O-CD 3.46Å
374K92.1Very high97.9Very high108 Ų10832.4 Ų32.447%0.4717%0.168SC..SBendtrans-72.6129.5175.7-171.3-179.5177-167.10110.7E259 S263E259-K374 IonicContact OE1-NZ 2.73Å; E259-K374 PolarHBondContact OE1-NZ 3.39Å; E259-K374 IonicContact OE2-NZ 3.4Å; E259-K374 PolarHBondContact OE2-NZ 3.46Å; S263-K374 PolarHBondContact OG-O 2.8Å
375N96.3Very high97.8Very high59 Ų5932.5 Ų32.532%0.31617%0.169SC..SBendtrans43.661.2177.6-167.130.5000114D261 S263 F377 K407D261-N375 VanDerWaalsContact O-CB 3.23Å; D261-N375 WeakPolarHBondContact O-CB 3.28Å; D261-N375 PolarHBondContact O-ND2 2.79Å; S263-N375 PolarHBondContact N-O 2.96Å; S263-N375 VanDerWaalsContact N-O 3.15Å; N375-F377 WeakPolarHBondContact OD1-CE2 3.41Å; N375-K407 PolarHBondContact OD1-NZ 3.16Å
376P98.1Very high97.6Very high17 Ų1732.7 Ų32.711%0.1118%0.177CC..EExtended strand (participates in β ladder)trans-76.7143.1-177.533.5-34.5000110.8S263 F265 A370 T373 P486S263-P376 CarbonylContact O-C 3.48Å; S263-P376 WeakPolarHBondContact O-CA 3.27Å; F265-P376 HydrophobicContact CD2-CB 4.17Å; F265-P376 HydrophobicContact CE2-CB 3.86Å; A370-P376 HydrophobicContact CB-CB 3.69Å; A370-P376 HydrophobicContact CB-CG 4.06Å; T373-P376 WeakPolarHBondContact O-CD 3.46Å; P376-P486 VanDerWaalsContact O-CD 3.31Å; P376-P486 WeakPolarHBondContact O-CD 3.47Å; P376-P486 WeakPolarHBondContact O-CG 3.34Å
377F98.8Very high97.5Very high24 Ų2434.2 Ų34.211%0.10518%0.183CC..EExtended strand (participates in β ladder)trans-128.2128.8164.3-66.5-98.8000109.1T262 S263 L264 F265 N375 F379 K407 V409 P486T262-F377 HydrophobicContact CG2-CD2 4.09Å; T262-F377 HydrophobicContact CG2-CE2 4.27Å; S263-F377 PolarHBondContact O-N 3.15Å; L264-F377 CarbonylContact C-O 3.49Å; L264-F377 WeakPolarHBondContact CA-O 3.47Å; L264-F377 HydrophobicContact CD2-CB 4.03Å; F265-F377 PolarHBondContact N-O 2.91Å; N375-F377 WeakPolarHBondContact OD1-CE2 3.41Å; F377-F379 HydrophobicContact CB-CD2 4.44Å; F377-F379 HydrophobicContact CB-CE2 3.52Å; F377-F379 HydrophobicContact CB-CZ 4.01Å; F377-K407 HydrophobicContact CE1-CB 4.44Å; F377-K407 HydrophobicContact CE1-CD 3.49Å; F377-K407 VanDerWaalsContact CE1-CD 3.49Å; F377-K407 HydrophobicContact CZ-CD 3.66Å; F377-V409 HydrophobicContact CD1-CG2 3.82Å; F377-V409 HydrophobicContact CE1-CG2 3.65Å; F377-P486 HydrophobicContact CD1-CB 4.14Å; F377-P486 HydrophobicContact CD1-CG 3.85Å; F377-P486 HydrophobicContact CE1-CB 4.48Å; F377-P486 HydrophobicContact CE1-CG 4.22Å; F377-P486 HydrophobicContact CG-CG 4.24Å
378I98.9Very high97.5Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-109.2134.2-179.2-48.9-168.8000109.8F265 L363 A366 K367 A370 L474 I485 P486 Y487 T488F265-I378 HydrophobicContact CB-CB 4.43Å; F265-I378 HydrophobicContact CB-CG1 4.1Å; F265-I378 HydrophobicContact CB-CG2 4.22Å; F265-I378 HydrophobicContact CD2-CG1 4.29Å; F265-I378 CarbonylContact O-C 3.59Å; F265-I378 WeakPolarHBondContact O-CA 3.44Å; L363-I378 HydrophobicContact CD1-CG2 3.39Å; A366-I378 HydrophobicContact CB-CD1 4.38Å; A366-I378 HydrophobicContact CB-CG2 4.16Å; K367-I378 HydrophobicContact CB-CD1 4.26Å; A370-I378 HydrophobicContact CB-CD1 3.8Å; A370-I378 HydrophobicContact CB-CG1 4.34Å; I378-L474 HydrophobicContact CD1-CD2 4.32Å; I378-I485 HydrophobicContact CD1-CG2 3.48Å; I378-I485 VanDerWaalsContact CD1-CG2 3.48Å; I378-I485 HydrophobicContact CG1-CG2 3.83Å; I378-P486 PolarHBondContact N-O 3.44Å; I378-Y487 HydrophobicContact CB-CD2 4.18Å; I378-Y487 HydrophobicContact CG2-CD2 4.03Å; I378-Y487 VanDerWaalsContact O-CA 3.27Å; I378-Y487 WeakPolarHBondContact O-CA 3.42Å; I378-T488 PolarHBondContact O-N 2.89Å
379F99Very high97.4Very high1 Ų133.4 Ų33.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-129.1139.5176.4-59.6-88.2000110.5L264 F265 L266 V267 F377 V409 L413 T488 V490 F511 Y515L264-F379 HydrophobicContact CD2-CE2 4.16Å; F265-F379 PolarHBondContact O-N 2.88Å; L266-F379 CarbonylContact C-O 3.19Å; L266-F379 HydrophobicContact CD2-CB 3.86Å; L266-F379 HydrophobicContact CD2-CD2 3.75Å; L266-F379 HydrophobicContact CD2-CG 4.16Å; V267-F379 PolarHBondContact N-O 2.77Å; F377-F379 HydrophobicContact CB-CD2 4.44Å; F377-F379 HydrophobicContact CB-CE2 3.52Å; F377-F379 HydrophobicContact CB-CZ 4.01Å; F379-V409 HydrophobicContact CE1-CG1 3.56Å; F379-V409 HydrophobicContact CZ-CG1 3.7Å; F379-L413 HydrophobicContact CD1-CD1 4.44Å; F379-L413 HydrophobicContact CE1-CD1 3.87Å; F379-T488 VanDerWaalsContact CA-O 3.31Å; F379-T488 WeakPolarHBondContact CA-O 3.46Å; F379-T488 HydrophobicContact CD1-CG2 4.24Å; F379-T488 HydrophobicContact CE1-CG2 4.2Å; F379-V490 HydrophobicContact CD1-CG2 4.28Å; F379-F511 HydrophobicContact CB-CE1 4.33Å; F379-F511 HydrophobicContact CB-CZ 4.19Å; F379-F511 HydrophobicContact CD1-CE1 4.01Å; F379-F511 AromaticContact CD1-CZ 3.68Å; F379-F511 HydrophobicContact CD1-CZ 3.68Å; F379-F511 AromaticContact CD2-CE1 3.9Å; F379-F511 HydrophobicContact CD2-CE1 3.9Å; F379-F511 HydrophobicContact CD2-CZ 4.38Å; F379-F511 HydrophobicContact CE1-CE1 4.34Å; F379-F511 HydrophobicContact CE1-CZ 4.18Å; F379-F511 HydrophobicContact CE2-CE1 4.21Å; F379-F511 AromaticContact CG-CE1 3.79Å; F379-F511 HydrophobicContact CG-CE1 3.79Å; F379-F511 AromaticContact CG-CZ 3.81Å; F379-F511 HydrophobicContact CG-CZ 3.81Å; F379-F511 HydrophobicContact CZ-CE1 4.45Å; F379-Y515 HydrophobicContact CE2-CE2 4.43Å; F379-Y515 HydrophobicContact CZ-CE2 4.28Å; F379-Y515 WeakPolarHBondContact CZ-OH 3.43Å
380T99Very high97.3Very high0 Ų039.7 Ų39.70%020%0.203CC..EExtended strand (participates in β ladder)trans-106135158.246.50000108.7V267 M359 L363 L468 Y487 T488 H489 V490V267-T380 HydrophobicContact CB-CG2 3.88Å; V267-T380 HydrophobicContact CG1-CG2 4.14Å; V267-T380 CarbonylContact O-C 3.47Å; V267-T380 VanDerWaalsContact O-CA 3.23Å; V267-T380 WeakPolarHBondContact O-CA 3.49Å; M359-T380 HydrophobicContact SD-CG2 4.06Å; L363-T380 HydrophobicContact CD1-CG2 4.05Å; L363-T380 HydrophobicContact CD2-CG2 4.03Å; L363-T380 HydrophobicContact CG-CG2 4.47Å; T380-L468 HydrophobicContact CG2-CD1 4.45Å; T380-Y487 HydrophobicContact CG2-CE2 3.81Å; T380-Y487 WeakPolarHBondContact OG1-CE2 3.42Å; T380-Y487 PolarHBondContact OG1-OH 2.96Å; T380-T488 PolarHBondContact N-O 3.37Å; T380-H489 PolarHBondContact OG1-ND1 2.82Å; T380-V490 WeakPolarHBondContact O-CA 3.37Å; T380-V490 WeakPolarHBondContact O-CB 3.38Å; T380-V490 PolarHBondContact O-N 3.45Å
381I98.9Very high97.3Very high2 Ų241.9 Ų41.91%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-123.7119.5177.9-49-171.2000108.3V267 G268 K269 G295 I299 V490 V492 P507 F511V267-I381 PolarHBondContact O-N 3.38Å; G268-I381 WeakPolarHBondContact CA-O 3.35Å; K269-I381 PolarHBondContact N-O 3.43Å; G295-I381 CarbonylContact C-O 3.57Å; G295-I381 WeakPolarHBondContact CA-O 3.28Å; I299-I381 HydrophobicContact CD1-CB 3.96Å; I299-I381 HydrophobicContact CD1-CD1 4.14Å; I299-I381 HydrophobicContact CD1-CG1 4.04Å; I299-I381 HydrophobicContact CG1-CB 4.2Å; I299-I381 HydrophobicContact CG1-CD1 3.69Å; I299-I381 HydrophobicContact CG1-CG1 4.15Å; I381-V490 WeakPolarHBondContact CA-O 3.48Å; I381-V490 HydrophobicContact CG1-CB 4.23Å; I381-V490 HydrophobicContact CG1-CG2 4.5Å; I381-V492 HydrophobicContact CG2-CG1 4.11Å; I381-V492 HydrophobicContact CG2-CG2 4.32Å; I381-P507 HydrophobicContact CD1-CG 3.85Å; I381-P507 HydrophobicContact CG2-CG 3.82Å; I381-F511 HydrophobicContact CD1-CD2 4.41Å; I381-F511 HydrophobicContact CD1-CE1 4.36Å; I381-F511 HydrophobicContact CD1-CE2 3.87Å; I381-F511 HydrophobicContact CD1-CZ 3.84Å
382A98.7Very high97.3Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-150.9143.4-170.900000113.1K269 M359 L384 V490 D491 V492K269-A382 HydrophobicContact CB-CB 3.43Å; K269-A382 VanDerWaalsContact CB-CB 3.43Å; K269-A382 HydrophobicContact CD-CB 3.98Å; K269-A382 HydrophobicContact CG-CB 4.31Å; M359-A382 HydrophobicContact CE-CB 3.57Å; M359-A382 HydrophobicContact SD-CB 3.86Å; A382-L384 HydrophobicContact CB-CB 3.87Å; A382-L384 PolarHBondContact O-N 3.49Å; A382-L384 VanDerWaalsContact O-N 3.09Å; A382-V490 PolarHBondContact N-O 2.89Å; A382-D491 CarbonylContact O-C 3.46Å; A382-D491 WeakPolarHBondContact O-CA 3.33Å; A382-V492 WeakPolarHBondContact O-CG2 3.36Å; A382-V492 PolarHBondContact O-N 2.72Å
383T97.7Very high97.2Very high12 Ų1241.1 Ų41.17%0.07420%0.202CC..  trans-7678.1156.442.80000107.8K269 D292 C294 V492 A496K269-T383 WeakPolarHBondContact CD-O 3.18Å; K269-T383 PolarHBondContact NZ-O 3.35Å; D292-T383 VanDerWaalsContact CA-OG1 3.26Å; D292-T383 WeakPolarHBondContact CA-OG1 3.35Å; D292-T383 PolarHBondContact O-OG1 2.81Å; D292-T383 WeakPolarHBondContact OD1-CB 3.32Å; D292-T383 PolarHBondContact OD1-OG1 2.9Å; C294-T383 HydrophobicContact CB-CG2 3.69Å; T383-V492 HydrophobicContact CG2-CG2 4.01Å; T383-A496 HydrophobicContact CG2-CB 3.83Å
384L96.8Very high97.2Very high17 Ų1743.1 Ų43.19%0.08921%0.208CC..  trans-95.8-42.4-163.1-167.257.4000113.4K269 M359 A382 P464 L468 H489 D491K269-L384 HydrophobicContact CD-CD1 4.22Å; M359-L384 HydrophobicContact CE-CD1 4.21Å; M359-L384 HydrophobicContact CE-CD2 4.28Å; A382-L384 HydrophobicContact CB-CB 3.87Å; A382-L384 PolarHBondContact O-N 3.49Å; A382-L384 VanDerWaalsContact O-N 3.09Å; L384-P464 HydrophobicContact CD2-CB 3.46Å; L384-P464 VanDerWaalsContact CD2-CB 3.46Å; L384-P464 HydrophobicContact CD2-CG 4.21Å; L384-P464 HydrophobicContact CG-CB 4.23Å; L384-L468 HydrophobicContact CD2-CD1 4.47Å; L384-H489 WeakPolarHBondContact CD2-NE2 3.42Å; L384-D491 PolarHBondContact N-OD1 3.2Å
385T96.9Very high97.4Very high3 Ų340.7 Ų40.72%0.01820%0.197CC..  trans-137.5138.1-16770.70000115.1H387 A388 G460 H461 P464 D491 A493T385-H387 PolarHBondContact O-N 3.46Å; T385-A388 PolarHBondContact O-N 3.38Å; T385-A388 WeakPolarHBondContact OG1-CB 3.27Å; T385-A388 PolarHBondContact OG1-N 2.98Å; T385-A388 VanDerWaalsContact OG1-N 3.12Å; T385-G460 WeakPolarHBondContact CG2-O 3.37Å; T385-H461 HydrophobicContact CG2-CB 4.2Å; T385-H461 WeakPolarHBondContact OG1-CB 3.41Å; T385-P464 HydrophobicContact CG2-CG 3.59Å; T385-D491 WeakPolarHBondContact CB-OD2 3.19Å; T385-D491 PolarHBondContact N-OD2 3.34Å; T385-D491 VanDerWaalsContact N-OD2 3.15Å; T385-D491 PolarHBondContact OG1-OD2 3.12Å; T385-A493 VanDerWaalsContact O-CB 3.23Å; T385-A493 WeakPolarHBondContact O-CB 3.3Å
386G95.2Very high97.6Very high25 Ų2537.9 Ų37.926%0.25818%0.182SC..Hα-helixtrans-64.1-23.9166.900000112.1I389 R390 S454G386-I389 WeakPolarHBondContact O-CB 3.47Å; G386-I389 PolarHBondContact O-N 2.92Å; G386-R390 WeakPolarHBondContact O-CG 3.06Å; G386-R390 PolarHBondContact O-N 2.9Å; G386-S454 PolarHBondContact N-OG 2.94Å; G386-S454 VanDerWaalsContact N-OG 3.16Å
387H97.6Very high97.6Very high38 Ų3837 Ų3718%0.17618%0.177CC..Hα-helixtrans-67-36.5175.7-171.8-61.8000112.8T385 I389 R390 A391 S454 T457 R459 G460 H461T385-H387 PolarHBondContact O-N 3.46Å; H387-I389 VanDerWaalsContact C-N 3.28Å; H387-I389 PolarHBondContact O-N 3.28Å; H387-R390 PolarHBondContact O-N 3.49Å; H387-A391 WeakPolarHBondContact O-CB 3.35Å; H387-A391 PolarHBondContact O-N 3.37Å; H387-S454 WeakPolarHBondContact CB-O 3.37Å; H387-T457 PolarHBondContact CD2-O 2.76Å; H387-R459 PolarHBondContact NE2-N 2.82Å; H387-G460 PolarHBondContact CD2-N 3.05Å; H387-G460 PolarHBondContact NE2-N 3.39Å; H387-H461 HydrophobicContact CB-CB 4.42Å; H387-H461 AromaticContact CE1-CE1 3.69Å; H387-H461 AromaticContact CE1-ND1 3.37Å; H387-H461 PolarHBondContact CE1-ND1 3Å; H387-H461 AromaticContact CG-ND1 3.72Å; H387-H461 AromaticContact ND1-CE1 3.47Å; H387-H461 PolarHBondContact ND1-CE1 2.9Å; H387-H461 AromaticContact ND1-CG 3.97Å; H387-H461 AromaticContact ND1-ND1 2.82Å; H387-H461 PolarHBondContact ND1-ND1 3.2Å
388A97.8Very high97.6Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-61-40.6174.800000111T385 R390 A391 Y392 A397 H461 D491T385-A388 PolarHBondContact O-N 3.38Å; T385-A388 WeakPolarHBondContact OG1-CB 3.27Å; T385-A388 PolarHBondContact OG1-N 2.98Å; T385-A388 VanDerWaalsContact OG1-N 3.12Å; A388-R390 PolarHBondContact O-N 2.86Å; A388-A391 PolarHBondContact O-N 2.91Å; A388-Y392 PolarHBondContact O-N 3Å; A388-A397 HydrophobicContact CB-CB 4.42Å; A388-H461 HydrophobicContact CB-CB 4.16Å; A388-D491 HydrophobicContact CB-CB 4.24Å; A388-D491 WeakPolarHBondContact CB-OD2 3.42Å
389I96.9Very high97.6Very high75 Ų7535.9 Ų35.939%0.38517%0.172SC..Hα-helixtrans-61.4-44.9173.2-52.2176.5000110.8G386 H387 A391 K393 A493G386-I389 WeakPolarHBondContact O-CB 3.47Å; G386-I389 PolarHBondContact O-N 2.92Å; H387-I389 VanDerWaalsContact C-N 3.28Å; H387-I389 PolarHBondContact O-N 3.28Å; I389-A391 VanDerWaalsContact C-N 3.29Å; I389-A391 PolarHBondContact O-N 2.99Å; I389-K393 WeakPolarHBondContact O-CA 3.46Å; I389-K393 PolarHBondContact O-N 3.49Å; I389-A493 HydrophobicContact CD1-CB 4.14Å; I389-A493 HydrophobicContact CG1-CB 3.87Å
390R96.7Very high97.6Very high203 Ų20336.4 Ų36.477%0.76618%0.175SC*.Hα-helixtrans-65.8-31.6178.3-66.4-62.5-66.1-111.7-2.3113.1G386 H387 A388G386-R390 WeakPolarHBondContact O-CG 3.06Å; G386-R390 PolarHBondContact O-N 2.9Å; H387-R390 PolarHBondContact O-N 3.49Å; A388-R390 PolarHBondContact O-N 2.86Å
391A97.5Very high97.5Very high48 Ų4836.7 Ų36.740%0.39718%0.177SC..Hα-helixtrans-80.3-43.8-179.100000112.4H387 A388 I389H387-A391 WeakPolarHBondContact O-CB 3.35Å; H387-A391 PolarHBondContact O-N 3.37Å; A388-A391 PolarHBondContact O-N 2.91Å; I389-A391 VanDerWaalsContact C-N 3.29Å; I389-A391 PolarHBondContact O-N 2.99Å
392Y97.3Very high97.5Very high50 Ų5037.2 Ų37.220%0.19618%0.182CC..Hα-helixtrans-128.74.1-166.4-54.7-56.7000114.5A388 H394 F395 A397 E425 S427 H461A388-Y392 PolarHBondContact O-N 3Å; Y392-H394 PolarHBondContact O-N 3.49Å; Y392-F395 VanDerWaalsContact O-CD2 3.31Å; Y392-F395 WeakPolarHBondContact O-CD2 3.47Å; Y392-F395 PolarHBondContact O-N 3.42Å; Y392-A397 HydrophobicContact CD2-CB 3.88Å; Y392-A397 HydrophobicContact CE2-CB 3.79Å; Y392-E425 HydrophobicContact CD1-CB 3.62Å; Y392-E425 HydrophobicContact CD1-CG 3.57Å; Y392-E425 HydrophobicContact CD2-CB 3.97Å; Y392-E425 HydrophobicContact CE1-CB 3.57Å; Y392-E425 HydrophobicContact CE1-CG 3.93Å; Y392-E425 HydrophobicContact CE2-CB 3.94Å; Y392-E425 HydrophobicContact CG-CB 3.8Å; Y392-E425 HydrophobicContact CG-CG 3.9Å; Y392-S427 PolarHBondContact OH-OG 2.71Å; Y392-H461 AromaticContact CE2-NE2 3.69Å
393K94.9Very high97.5Very high138 Ų13837.5 Ų37.560%0.618%0.184SC*.THydrogen-bonded Turntrans57.2-88.6-179.9-162.5-171.9-172.8-168.40112.7I389 G494I389-K393 WeakPolarHBondContact O-CA 3.46Å; I389-K393 PolarHBondContact O-N 3.49Å; K393-G494 CarbonylContact O-C 3.53Å; K393-G494 WeakPolarHBondContact O-CA 3.17Å
394H95.4Very high97.6Very high85 Ų8537 Ų3739%0.39418%0.181SC..THydrogen-bonded Turntrans-110.610-173.5-57.6-54000114Y392 G494 S495 D498Y392-H394 PolarHBondContact O-N 3.49Å; H394-G494 WeakPolarHBondContact CA-O 3.44Å; H394-S495 WeakPolarHBondContact O-CA 3.23Å; H394-S495 WeakPolarHBondContact O-CB 3.04Å; H394-D498 IonicContact CE1-OD2 3.89Å
395F97.9Very high97.6Very high57 Ų5742 Ų4225%0.2520%0.199CC..SBendtrans-103.2151.7-178.9-49.7-48.1000112.7Y392 I423 E425Y392-F395 VanDerWaalsContact O-CD2 3.31Å; Y392-F395 WeakPolarHBondContact O-CD2 3.47Å; Y392-F395 PolarHBondContact O-N 3.42Å; F395-I423 HydrophobicContact CD1-CB 3.86Å; F395-I423 HydrophobicContact CD1-CG2 4.05Å; F395-I423 HydrophobicContact CE1-CB 4.2Å; F395-I423 HydrophobicContact CE1-CG2 4.32Å; F395-I423 HydrophobicContact CG-CG2 4.39Å; F395-E425 HydrophobicContact CB-CG 3.98Å; F395-E425 HydrophobicContact CD2-CG 4.12Å; F395-E425 HydrophobicContact CG-CG 4.43Å
396T98.7Very high97.7Very high0 Ų046.6 Ų46.60%023%0.227CC..EExtended strand (participates in β ladder)trans-71.2134.7174.3-63.10000109.5V398 I423 A424 E425 V490 D491 V492 S495 M510T396-V398 HydrophobicContact CG2-CG1 4.13Å; T396-I423 PolarHBondContact N-O 3.15Å; T396-A424 HydrophobicContact CG2-CB 4.32Å; T396-A424 CarbonylContact O-C 3.51Å; T396-A424 WeakPolarHBondContact O-CA 3.36Å; T396-E425 PolarHBondContact O-N 3.42Å; T396-V490 HydrophobicContact CG2-CG1 3.28Å; T396-D491 CarbonylContact C-O 3.07Å; T396-D491 WeakPolarHBondContact CA-O 3.35Å; T396-V492 HydrophobicContact CG2-CG1 3.87Å; T396-S495 WeakPolarHBondContact OG1-CB 3.5Å; T396-S495 PolarHBondContact OG1-OG 3.15Å; T396-M510 HydrophobicContact CG2-CE 4.25Å
397A98.8Very high97.8Very high0 Ų049.6 Ų49.60%023%0.233CC..EExtended strand (participates in β ladder)trans-95.3123.8169.700000110.7A388 Y392 M399 E425 V490 D491A388-A397 HydrophobicContact CB-CB 4.42Å; Y392-A397 HydrophobicContact CD2-CB 3.88Å; Y392-A397 HydrophobicContact CE2-CB 3.79Å; A397-M399 HydrophobicContact CB-CE 4.4Å; A397-E425 CarbonylContact C-O 3.13Å; A397-E425 WeakPolarHBondContact CA-O 3.4Å; A397-V490 CarbonylContact O-C 3.54Å; A397-V490 WeakPolarHBondContact O-CA 3.33Å; A397-D491 HydrophobicContact CB-CB 4.25Å; A397-D491 PolarHBondContact N-O 3.05Å; A397-D491 PolarHBondContact O-N 2.74Å
398V98.8Very high97.9Very high0 Ų054 Ų540%025%0.251CS..EExtended strand (participates in β ladder)trans-111.3132.4177.6-69.50000111.3T396 L413 A424 E425 I426 S427 T488 H489 V490 M510T396-V398 HydrophobicContact CG2-CG1 4.13Å; V398-L413 HydrophobicContact CG1-CD1 4.27Å; V398-A424 HydrophobicContact CG1-CB 4.12Å; V398-A424 HydrophobicContact CG2-CB 4.26Å; V398-E425 WeakPolarHBondContact CG2-O 3.16Å; V398-E425 PolarHBondContact N-O 3.46Å; V398-I426 HydrophobicContact CG2-CB 4.41Å; V398-I426 HydrophobicContact CG2-CG1 3.81Å; V398-S427 PolarHBondContact O-N 3.2Å; V398-T488 HydrophobicContact CB-CG2 4.5Å; V398-H489 WeakPolarHBondContact CA-O 3.24Å; V398-V490 HydrophobicContact CG1-CG1 4.06Å; V398-V490 HydrophobicContact CG1-CG2 4.26Å; V398-M510 HydrophobicContact CG1-CE 4.15Å
399M98.7Very high97.9Very high0 Ų054.2 Ų54.20%025%0.252CS..EExtended strand (participates in β ladder)trans-140.4112-170.8-69.1168.7-79.200112.3A397 S427 I429 Q462 A465 T488 H489 D491A397-M399 HydrophobicContact CB-CE 4.4Å; M399-S427 WeakPolarHBondContact CA-O 3.39Å; M399-S427 VanDerWaalsContact CG-CB 3.5Å; M399-S427 WeakPolarHBondContact CG-O 3.36Å; M399-I429 HydrophobicContact CB-CD1 4.22Å; M399-I429 HydrophobicContact CB-CG1 4.03Å; M399-Q462 HydrophobicContact SD-CB 4.34Å; M399-Q462 HydrophobicContact SD-CG 3.89Å; M399-A465 HydrophobicContact CE-CB 4.36Å; M399-A465 HydrophobicContact SD-CB 4.13Å; M399-T488 CarbonylContact O-C 3.59Å; M399-T488 WeakPolarHBondContact O-CA 3.48Å; M399-H489 HydrophobicContact CB-CB 4.49Å; M399-H489 HydrophobicContact CE-CB 4.4Å; M399-H489 WeakPolarHBondContact CE-CD2 3.48Å; M399-H489 PolarHBondContact N-O 2.75Å; M399-H489 PolarHBondContact O-N 3.18Å; M399-D491 HydrophobicContact CE-CB 4.32Å
400D98.8Very high98Very high12 Ų1251.1 Ų51.16%0.06424%0.238CC..EExtended strand (participates in β ladder)trans-85144-178.3-77.2-7.5000113.4A404 R405 V409 S410 T488D400-A404 HydrophobicContact CB-CB 3.8Å; D400-R405 HydrophobicContact CB-CB 3.89Å; D400-R405 WeakPolarHBondContact OD2-CA 3.35Å; D400-R405 PolarHBondContact OD2-N 3.05Å; D400-V409 PolarHBondContact OD2-N 3.36Å; D400-S410 WeakPolarHBondContact OD1-CB 3.27Å; D400-S410 PolarHBondContact OD1-N 3.3Å; D400-S410 PolarHBondContact OD2-N 3.01Å; D400-S410 PolarHBondContact OD2-OG 3.16Å; D400-T488 WeakPolarHBondContact OD1-CB 3.33Å; D400-T488 WeakPolarHBondContact OD1-CG2 3.35Å; D400-T488 PolarHBondContact OD1-OG1 2.63Å
401N98.4Very high98.1Very high6 Ų646.6 Ų46.63%0.03222%0.221CC..  trans-75.4179.4156.884.1-15000111.3P403 A404 R405 I485 Y487N401-P403 WeakPolarHBondContact OD1-CD 3.42Å; N401-A404 PolarHBondContact O-N 2.71Å; N401-A404 VanDerWaalsContact OD1-CB 3.3Å; N401-A404 WeakPolarHBondContact OD1-CB 3.45Å; N401-A404 PolarHBondContact OD1-N 3.39Å; N401-R405 VanDerWaalsContact O-CB 3.27Å; N401-R405 WeakPolarHBondContact O-CB 3.43Å; N401-R405 PolarHBondContact O-N 3.12Å; N401-I485 PolarHBondContact ND2-O 2.95Å; N401-Y487 HydrophobicContact CB-CD1 4.3Å; N401-Y487 WeakPolarHBondContact CB-O 3.39Å; N401-Y487 PolarHBondContact N-O 3.16Å; N401-Y487 PolarHBondContact OD1-N 2.79Å; N401-Y487 PolarHBondContact OD1-O 3.1Å
402G98.3Very high98.2Very high13 Ų1347.5 Ų47.513%0.13422%0.217CC..Hα-helixtrans-53.6-59.5-178.900000114.1A404 R405 V406G402-A404 PolarHBondContact O-N 2.96Å; G402-R405 PolarHBondContact O-N 3.47Å; G402-V406 PolarHBondContact O-N 3.47Å; G402-V406 VanDerWaalsContact O-N 3.12Å
403P98.5Very high98.2Very high6 Ų645.1 Ų45.14%0.03921%0.208CC..Hα-helixtrans-61-37.7178.6-26.934.3000115.1N401 V406 K407 H477 L479 R484 P486N401-P403 WeakPolarHBondContact OD1-CD 3.42Å; P403-V406 PolarHBondContact O-N 3.39Å; P403-K407 PolarHBondContact O-N 2.93Å; P403-H477 WeakPolarHBondContact CG-O 3.45Å; P403-L479 HydrophobicContact CG-CD2 4.46Å; P403-R484 HydrophobicContact CB-CB 4.05Å; P403-R484 HydrophobicContact CG-CB 3.84Å; P403-P486 HydrophobicContact CB-CB 4.29Å
404A98.8Very high98.4Very high0 Ų040.5 Ų40.50%019%0.188CC..Hα-helixtrans-63.9-41.8175.200000111.5D400 N401 G402 V406 K407 K408 V409 P486 Y487D400-A404 HydrophobicContact CB-CB 3.8Å; N401-A404 PolarHBondContact O-N 2.71Å; N401-A404 VanDerWaalsContact OD1-CB 3.3Å; N401-A404 WeakPolarHBondContact OD1-CB 3.45Å; N401-A404 PolarHBondContact OD1-N 3.39Å; G402-A404 PolarHBondContact O-N 2.96Å; A404-V406 VanDerWaalsContact C-N 3.34Å; A404-V406 PolarHBondContact O-N 3.32Å; A404-K407 CarbonylContact O-C 3.55Å; A404-K407 VanDerWaalsContact O-C 3.29Å; A404-K407 WeakPolarHBondContact O-CA 3.21Å; A404-K407 WeakPolarHBondContact O-CB 3.02Å; A404-K407 PolarHBondContact O-N 2.64Å; A404-K408 PolarHBondContact O-N 3.22Å; A404-V409 HydrophobicContact CB-CB 4.14Å; A404-V409 HydrophobicContact CB-CG2 3.98Å; A404-V409 WeakPolarHBondContact O-CG2 3.47Å; A404-V409 PolarHBondContact O-N 2.72Å; A404-V409 VanDerWaalsContact O-N 3.11Å; A404-P486 HydrophobicContact CB-CB 3.87Å; A404-Y487 WeakPolarHBondContact CB-O 3.43Å
405R98.4Very high98.5Very high122 Ų12239 Ų3946%0.4618%0.183SC..Hα-helixtrans-63.3-37.2177.2179.4175.453.7-167.4-6.5112.8D400 N401 G402 K407 K408D400-R405 HydrophobicContact CB-CB 3.89Å; D400-R405 WeakPolarHBondContact OD2-CA 3.35Å; D400-R405 PolarHBondContact OD2-N 3.05Å; N401-R405 VanDerWaalsContact O-CB 3.27Å; N401-R405 WeakPolarHBondContact O-CB 3.43Å; N401-R405 PolarHBondContact O-N 3.12Å; G402-R405 PolarHBondContact O-N 3.47Å; R405-K407 PolarHBondContact O-N 3.36Å; R405-K408 PolarHBondContact O-N 2.73Å
406V98.3Very high98.5Very high101 Ų10136.7 Ų36.761%0.61217%0.174SC*.Hα-helixtrans-60.4-37.6172.7170.40000110.9G402 P403 A404 K408 L479G402-V406 PolarHBondContact O-N 3.47Å; G402-V406 VanDerWaalsContact O-N 3.12Å; P403-V406 PolarHBondContact O-N 3.39Å; A404-V406 VanDerWaalsContact C-N 3.34Å; A404-V406 PolarHBondContact O-N 3.32Å; V406-K408 VanDerWaalsContact C-N 3.27Å; V406-K408 PolarHBondContact O-N 3.23Å; V406-L479 HydrophobicContact CG2-CD2 3.68Å
407K98.3Very high98.5Very high88 Ų8836.7 Ų36.738%0.38317%0.174SC..THydrogen-bonded Turntrans-83.32.3175.2-65.1-173177.8-171.50113.6N375 F377 P403 A404 R405 V409 P486N375-K407 PolarHBondContact OD1-NZ 3.16Å; F377-K407 HydrophobicContact CE1-CB 4.44Å; F377-K407 HydrophobicContact CE1-CD 3.49Å; F377-K407 VanDerWaalsContact CE1-CD 3.49Å; F377-K407 HydrophobicContact CZ-CD 3.66Å; P403-K407 PolarHBondContact O-N 2.93Å; A404-K407 CarbonylContact O-C 3.55Å; A404-K407 VanDerWaalsContact O-C 3.29Å; A404-K407 WeakPolarHBondContact O-CA 3.21Å; A404-K407 WeakPolarHBondContact O-CB 3.02Å; A404-K407 PolarHBondContact O-N 2.64Å; R405-K407 PolarHBondContact O-N 3.36Å; K407-V409 VanDerWaalsContact C-N 3.25Å; K407-V409 HydrophobicContact CB-CG2 3.95Å; K407-V409 PolarHBondContact O-N 3.36Å; K407-P486 HydrophobicContact CD-CB 4.33Å; K407-P486 HydrophobicContact CD-CG 4.26Å
408K98.5Very high98.5Very high130 Ų13039.4 Ų39.457%0.56519%0.189SC*.THydrogen-bonded Turntrans53.435.9-177.7-57.7-176.9178.6-178.50113.8A404 R405 V406 S410 Y411 E412A404-K408 PolarHBondContact O-N 3.22Å; R405-K408 PolarHBondContact O-N 2.73Å; V406-K408 VanDerWaalsContact C-N 3.27Å; V406-K408 PolarHBondContact O-N 3.23Å; K408-S410 PolarHBondContact O-N 2.98Å; K408-Y411 WeakPolarHBondContact O-CB 3.45Å; K408-Y411 PolarHBondContact O-N 2.93Å; K408-Y411 VanDerWaalsContact O-N 3.16Å; K408-E412 WeakPolarHBondContact O-CG 3.08Å; K408-E412 PolarHBondContact O-N 3.32Å
409V98.8Very high98.4Very high4 Ų440.1 Ų40.12%0.02419%0.193CC..Hα-helixtrans-58.8-46.7-171.7176.90000112.1F377 F379 D400 A404 K407 Y411 E412 L413 T488F377-V409 HydrophobicContact CD1-CG2 3.82Å; F377-V409 HydrophobicContact CE1-CG2 3.65Å; F379-V409 HydrophobicContact CE1-CG1 3.56Å; F379-V409 HydrophobicContact CZ-CG1 3.7Å; D400-V409 PolarHBondContact OD2-N 3.36Å; A404-V409 HydrophobicContact CB-CB 4.14Å; A404-V409 HydrophobicContact CB-CG2 3.98Å; A404-V409 WeakPolarHBondContact O-CG2 3.47Å; A404-V409 PolarHBondContact O-N 2.72Å; A404-V409 VanDerWaalsContact O-N 3.11Å; K407-V409 VanDerWaalsContact C-N 3.25Å; K407-V409 HydrophobicContact CB-CG2 3.95Å; K407-V409 PolarHBondContact O-N 3.36Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 3.12Å; V409-E412 PolarHBondContact O-N 3Å; V409-L413 HydrophobicContact CG1-CD1 4.23Å; V409-L413 WeakPolarHBondContact O-CG 3.27Å; V409-L413 PolarHBondContact O-N 3.14Å; V409-T488 HydrophobicContact CG1-CG2 4.5Å; V409-T488 VanDerWaalsContact CG1-OG1 3.27Å; V409-T488 WeakPolarHBondContact CG1-OG1 3.46Å
410S98.7Very high98.4Very high11 Ų1140.2 Ų40.28%0.07719%0.193CC..Hα-helixtrans-63-36.1179.367.30000113D400 K408 L413 Q414 I426D400-S410 WeakPolarHBondContact OD1-CB 3.27Å; D400-S410 PolarHBondContact OD1-N 3.3Å; D400-S410 PolarHBondContact OD2-N 3.01Å; D400-S410 PolarHBondContact OD2-OG 3.16Å; K408-S410 PolarHBondContact O-N 2.98Å; S410-L413 PolarHBondContact O-N 3.5Å; S410-Q414 WeakPolarHBondContact O-CB 3.29Å; S410-Q414 PolarHBondContact O-N 3.23Å; S410-I426 WeakPolarHBondContact OG-CG2 3.42Å
411Y98.7Very high98.4Very high108 Ų10840.7 Ų40.742%0.42420%0.198SC..Hα-helixtrans-68.2-44.4177177.3-101.2000111.7K408 V409 L413 Q414 N415 I426K408-Y411 WeakPolarHBondContact O-CB 3.45Å; K408-Y411 PolarHBondContact O-N 2.93Å; K408-Y411 VanDerWaalsContact O-N 3.16Å; V409-Y411 VanDerWaalsContact C-N 3.3Å; V409-Y411 PolarHBondContact O-N 3.12Å; Y411-L413 VanDerWaalsContact C-N 3.28Å; Y411-L413 PolarHBondContact O-N 2.92Å; Y411-Q414 PolarHBondContact O-N 3.07Å; Y411-N415 WeakPolarHBondContact CE1-ND2 3.23Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 2.78Å; Y411-N415 PolarHBondContact OH-ND2 3.07Å; Y411-I426 HydrophobicContact CD2-CD1 4.48Å
412E98.6Very high98.4Very high67 Ų6741 Ų4131%0.31320%0.199SC..Hα-helixtrans-64.1-34.2176-69.9-64.514000112.7K408 V409 S416 K514K408-E412 WeakPolarHBondContact O-CG 3.08Å; K408-E412 PolarHBondContact O-N 3.32Å; V409-E412 PolarHBondContact O-N 3Å; E412-S416 WeakPolarHBondContact O-CB 3.21Å; E412-S416 PolarHBondContact O-N 2.96Å; E412-S416 VanDerWaalsContact O-N 3.12Å; E412-S416 PolarHBondContact O-OG 3.25Å; E412-K514 HydrophobicContact CB-CD 4.18Å; E412-K514 IonicContact OE2-NZ 3.54Å; E412-K514 PolarHBondContact OE2-NZ 3.32Å
413L98.8Very high98.4Very high0 Ų041.2 Ų41.20%020%0.197CC..Hα-helixtrans-67.4-50.9172.6-76.5177.5000111.3F379 V398 V409 S410 Y411 N415 S416 G417 T488 M510 F511 K514 Y515F379-L413 HydrophobicContact CD1-CD1 4.44Å; F379-L413 HydrophobicContact CE1-CD1 3.87Å; V398-L413 HydrophobicContact CG1-CD1 4.27Å; V409-L413 HydrophobicContact CG1-CD1 4.23Å; V409-L413 WeakPolarHBondContact O-CG 3.27Å; V409-L413 PolarHBondContact O-N 3.14Å; S410-L413 PolarHBondContact O-N 3.5Å; Y411-L413 VanDerWaalsContact C-N 3.28Å; Y411-L413 PolarHBondContact O-N 2.92Å; L413-N415 PolarHBondContact O-N 2.93Å; L413-S416 WeakPolarHBondContact O-CA 3.43Å; L413-S416 WeakPolarHBondContact O-CB 3.42Å; L413-S416 PolarHBondContact O-N 3.19Å; L413-G417 PolarHBondContact O-N 3.07Å; L413-T488 HydrophobicContact CD1-CG2 4.32Å; L413-M510 VanDerWaalsContact C-SD 3.54Å; L413-M510 HydrophobicContact CB-CE 4.34Å; L413-M510 HydrophobicContact CB-CG 4.36Å; L413-M510 HydrophobicContact CB-SD 3.78Å; L413-M510 HydrophobicContact CD2-CG 4.16Å; L413-M510 HydrophobicContact CD2-SD 4.45Å; L413-M510 VanDerWaalsContact O-CG 3.25Å; L413-M510 WeakPolarHBondContact O-CG 3.39Å; L413-F511 HydrophobicContact CD1-CE2 4.48Å; L413-F511 HydrophobicContact CD1-CZ 4.41Å; L413-F511 HydrophobicContact CD2-CD2 4.37Å; L413-F511 HydrophobicContact CD2-CE2 4.21Å; L413-F511 HydrophobicContact CD2-CZ 4.4Å; L413-K514 HydrophobicContact CD2-CB 4.23Å; L413-K514 HydrophobicContact CD2-CG 4.23Å; L413-Y515 HydrophobicContact CD2-CE2 4.04Å
414Q98.6Very high98.4Very high40 Ų4041 Ų4119%0.18720%0.195CC..Hα-helixtrans-53.3-54.2176.6175.8172.164.300111.2S410 Y411 S416 G417 D418 A424 I426S410-Q414 WeakPolarHBondContact O-CB 3.29Å; S410-Q414 PolarHBondContact O-N 3.23Å; Y411-Q414 PolarHBondContact O-N 3.07Å; Q414-S416 PolarHBondContact O-N 3.14Å; Q414-S416 VanDerWaalsContact O-N 3.16Å; Q414-G417 WeakPolarHBondContact O-CA 3.42Å; Q414-G417 PolarHBondContact O-N 3.46Å; Q414-D418 VanDerWaalsContact O-CG 3.3Å; Q414-D418 PolarHBondContact O-N 3.39Å; Q414-A424 WeakPolarHBondContact CG-O 3.37Å; Q414-A424 PolarHBondContact NE2-O 2.99Å; Q414-I426 HydrophobicContact CB-CD1 4.23Å; Q414-I426 HydrophobicContact CB-CG1 4.27Å; Q414-I426 VanDerWaalsContact OE1-CD1 3.28Å
415N97.9Very high98.4Very high53 Ų5344 Ų4428%0.28321%0.21SC..Hα-helixtrans-55.7-36.9176.5-72.8-2.5000112.4Y411 L413 L419Y411-N415 WeakPolarHBondContact CE1-ND2 3.23Å; Y411-N415 WeakPolarHBondContact O-CB 3.33Å; Y411-N415 PolarHBondContact O-N 2.78Å; Y411-N415 PolarHBondContact OH-ND2 3.07Å; L413-N415 PolarHBondContact O-N 2.93Å; N415-L419 WeakPolarHBondContact O-CG 3.49Å
416S98.2Very high98.4Very high9 Ų940.7 Ų40.76%0.06320%0.201CC..Hα-helixtrans-71.1-37.2177.6-60.40000112.1E412 L413 Q414 D418 L419 I420 R513 K514E412-S416 WeakPolarHBondContact O-CB 3.21Å; E412-S416 PolarHBondContact O-N 2.96Å; E412-S416 VanDerWaalsContact O-N 3.12Å; E412-S416 PolarHBondContact O-OG 3.25Å; L413-S416 WeakPolarHBondContact O-CA 3.43Å; L413-S416 WeakPolarHBondContact O-CB 3.42Å; L413-S416 PolarHBondContact O-N 3.19Å; Q414-S416 PolarHBondContact O-N 3.14Å; Q414-S416 VanDerWaalsContact O-N 3.16Å; S416-D418 VanDerWaalsContact C-N 3.35Å; S416-L419 PolarHBondContact O-N 3.29Å; S416-I420 WeakPolarHBondContact O-CG2 3.44Å; S416-R513 WeakPolarHBondContact O-CG 3.4Å; S416-K514 WeakPolarHBondContact OG-CB 2.8Å; S416-K514 WeakPolarHBondContact OG-CD 3.21Å
417G98.4Very high98.4Very high0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-61.8-41.8175.300000112.4L413 Q414 L419 I420 S421 D422L413-G417 PolarHBondContact O-N 3.07Å; Q414-G417 WeakPolarHBondContact O-CA 3.42Å; Q414-G417 PolarHBondContact O-N 3.46Å; G417-L419 PolarHBondContact O-N 2.96Å; G417-L419 VanDerWaalsContact O-N 3.14Å; G417-I420 CarbonylContact O-C 3.57Å; G417-I420 PolarHBondContact O-N 3.08Å; G417-S421 PolarHBondContact O-N 3.18Å; G417-S421 VanDerWaalsContact O-N 3.12Å; G417-D422 WeakPolarHBondContact CA-O 3.26Å; G417-D422 PolarHBondContact O-N 2.97Å; G417-D422 VanDerWaalsContact O-N 3.17Å
418D97.6Very high98.4Very high57 Ų5734.4 Ų34.431%0.30517%0.17SC..THydrogen-bonded Turntrans-63-17.2177.8-61.8-16.7000113.4I86 Q414 S416I86-D418 WeakPolarHBondContact CG2-O 3.43Å; Q414-D418 VanDerWaalsContact O-CG 3.3Å; Q414-D418 PolarHBondContact O-N 3.39Å; S416-D418 VanDerWaalsContact C-N 3.35Å
419L97.9Very high98.4Very high16 Ų1628.8 Ų28.88%0.08415%0.146CC..THydrogen-bonded Turntrans-93.3-8.8176-57.9175.7000113.2Q123 W124 N133 N415 S416 G417 R513Q123-L419 HydrophobicContact CB-CD2 3.84Å; Q123-L419 HydrophobicContact CG-CD1 4.22Å; Q123-L419 HydrophobicContact CG-CD2 3.79Å; W124-L419 HydrophobicContact CB-CD2 3.84Å; N133-L419 PolarHBondContact ND2-O 3.07Å; N415-L419 WeakPolarHBondContact O-CG 3.49Å; S416-L419 PolarHBondContact O-N 3.29Å; G417-L419 PolarHBondContact O-N 2.96Å; G417-L419 VanDerWaalsContact O-N 3.14Å; L419-R513 HydrophobicContact CB-CG 4.3Å
420I98.1Very high98.3Very high1 Ų134.7 Ų34.71%0.00517%0.168CC..THydrogen-bonded Turntrans-142.724-170.6-155.4167.6000114.5L132 N133 L136 S416 G417 D422 L509 R513 L517L132-I420 HydrophobicContact CD2-CD1 3.96Å; N133-I420 VanDerWaalsContact OD1-CA 3.27Å; N133-I420 WeakPolarHBondContact OD1-CA 3.33Å; N133-I420 PolarHBondContact OD1-O 3.09Å; L136-I420 HydrophobicContact CD1-CD1 4.06Å; L136-I420 HydrophobicContact CD1-CG1 3.88Å; S416-I420 WeakPolarHBondContact O-CG2 3.44Å; G417-I420 CarbonylContact O-C 3.57Å; G417-I420 PolarHBondContact O-N 3.08Å; I420-D422 HydrophobicContact CG2-CB 4.24Å; I420-D422 PolarHBondContact O-N 3.21Å; I420-L509 HydrophobicContact CD1-CB 4.13Å; I420-L509 HydrophobicContact CD1-CD2 4.23Å; I420-L509 HydrophobicContact CG1-CB 4.1Å; I420-L509 HydrophobicContact CG2-CB 3.76Å; I420-R513 HydrophobicContact CB-CB 4.28Å; I420-R513 HydrophobicContact CD1-CB 4.14Å; I420-R513 HydrophobicContact CG2-CB 3.85Å; I420-R513 HydrophobicContact CG2-CG 4.37Å; I420-L517 HydrophobicContact CD1-CD1 4.31Å
421S98.2Very high98.2Very high23 Ų2341.9 Ų41.916%0.16120%0.198CC..THydrogen-bonded Turntrans58.229.9176.1-51.60000114.4Y90 N133 G417Y90-S421 WeakPolarHBondContact CB-OG 3.38Å; N133-S421 WeakPolarHBondContact OD1-CB 3.46Å; N133-S421 PolarHBondContact OD1-N 3.44Å; N133-S421 PolarHBondContact OD1-OG 3.05Å; G417-S421 PolarHBondContact O-N 3.18Å; G417-S421 VanDerWaalsContact O-N 3.12Å
422D98.5Very high98.1Very high11 Ų1141 Ų416%0.05920%0.198CC..  trans-126.469179.2-167.21.1000109.3G417 I420 A506 P507 L508 L509 M510G417-D422 WeakPolarHBondContact CA-O 3.26Å; G417-D422 PolarHBondContact O-N 2.97Å; G417-D422 VanDerWaalsContact O-N 3.17Å; I420-D422 HydrophobicContact CG2-CB 4.24Å; I420-D422 PolarHBondContact O-N 3.21Å; D422-A506 WeakPolarHBondContact OD1-CB 3.38Å; D422-P507 WeakPolarHBondContact OD2-CA 3.32Å; D422-L508 PolarHBondContact OD2-N 2.92Å; D422-L509 HydrophobicContact CB-CB 3.72Å; D422-L509 HydrophobicContact CB-CD1 4.49Å; D422-L509 WeakPolarHBondContact OD2-CB 3.33Å; D422-L509 PolarHBondContact OD2-N 2.72Å; D422-L509 VanDerWaalsContact OD2-N 3.09Å; D422-M510 HydrophobicContact CB-CB 4.1Å; D422-M510 PolarHBondContact OD2-N 3.41Å
423I98.2Very high98.1Very high19 Ų1937.9 Ų37.910%0.09718%0.183CC..  trans-72.5139.6-164.4-48.9-56.4000111.5R87 F395 T396R87-I423 HydrophobicContact CG-CG1 4.46Å; F395-I423 HydrophobicContact CD1-CB 3.86Å; F395-I423 HydrophobicContact CD1-CG2 4.05Å; F395-I423 HydrophobicContact CE1-CB 4.2Å; F395-I423 HydrophobicContact CE1-CG2 4.32Å; F395-I423 HydrophobicContact CG-CG2 4.39Å; T396-I423 PolarHBondContact N-O 3.15Å
424A98.6Very high98Very high0 Ų041.3 Ų41.30%020%0.196CC..EExtended strand (participates in β ladder)trans-131150.1178.300000112.3T396 V398 Q414 M510T396-A424 HydrophobicContact CG2-CB 4.32Å; T396-A424 CarbonylContact O-C 3.51Å; T396-A424 WeakPolarHBondContact O-CA 3.36Å; V398-A424 HydrophobicContact CG1-CB 4.12Å; V398-A424 HydrophobicContact CG2-CB 4.26Å; Q414-A424 WeakPolarHBondContact CG-O 3.37Å; Q414-A424 PolarHBondContact NE2-O 2.99Å; A424-M510 HydrophobicContact CB-CE 4.16Å; A424-M510 HydrophobicContact CB-SD 3.69Å
425E98.6Very high98Very high64 Ų6441.5 Ų41.530%0.29921%0.205SC..EExtended strand (participates in β ladder)trans-114.2135.2176.8-69.2-66.1174.100110.2Y392 F395 T396 A397 V398Y392-E425 HydrophobicContact CD1-CB 3.62Å; Y392-E425 HydrophobicContact CD1-CG 3.57Å; Y392-E425 HydrophobicContact CD2-CB 3.97Å; Y392-E425 HydrophobicContact CE1-CB 3.57Å; Y392-E425 HydrophobicContact CE1-CG 3.93Å; Y392-E425 HydrophobicContact CE2-CB 3.94Å; Y392-E425 HydrophobicContact CG-CB 3.8Å; Y392-E425 HydrophobicContact CG-CG 3.9Å; F395-E425 HydrophobicContact CB-CG 3.98Å; F395-E425 HydrophobicContact CD2-CG 4.12Å; F395-E425 HydrophobicContact CG-CG 4.43Å; T396-E425 PolarHBondContact O-N 3.42Å; A397-E425 CarbonylContact C-O 3.13Å; A397-E425 WeakPolarHBondContact CA-O 3.4Å; V398-E425 WeakPolarHBondContact CG2-O 3.16Å; V398-E425 PolarHBondContact N-O 3.46Å
426I98.6Very high97.8Very high53 Ų5342.3 Ų42.327%0.27221%0.208SC..EExtended strand (participates in β ladder)trans-87.9120.5-177.9-57.9172.4000109.7V398 S410 Y411 Q414V398-I426 HydrophobicContact CG2-CB 4.41Å; V398-I426 HydrophobicContact CG2-CG1 3.81Å; S410-I426 WeakPolarHBondContact OG-CG2 3.42Å; Y411-I426 HydrophobicContact CD2-CD1 4.48Å; Q414-I426 HydrophobicContact CB-CD1 4.23Å; Q414-I426 HydrophobicContact CB-CG1 4.27Å; Q414-I426 VanDerWaalsContact OE1-CD1 3.28Å
427S98.4Very high97.8Very high9 Ų942 Ų426%0.06321%0.205CC..  trans-108149.1167-111.50000111.2Y392 V398 M399 H461 Q462Y392-S427 PolarHBondContact OH-OG 2.71Å; V398-S427 PolarHBondContact O-N 3.2Å; M399-S427 WeakPolarHBondContact CA-O 3.39Å; M399-S427 VanDerWaalsContact CG-CB 3.5Å; M399-S427 WeakPolarHBondContact CG-O 3.36Å; S427-H461 WeakPolarHBondContact CB-NE2 3.31Å; S427-H461 PolarHBondContact OG-NE2 3.22Å; S427-Q462 PolarHBondContact OG-NE2 3.17Å
428T98.2Very high97.7Very high48 Ų4848.6 Ų48.629%0.29423%0.234SC..  trans-110.6125.2180-51.60000110.7R430 R459T428-R430 VanDerWaalsContact CG2-CZ 3.43Å; T428-R459 PolarHBondContact O-NH2 3.03Å
429I97.9Very high97.6Very high12 Ų1247.8 Ų47.86%0.06224%0.235CC..  trans-72.5133.7168.7-48.1173.3000109M399 D433 Y434 A465 A466M399-I429 HydrophobicContact CB-CD1 4.22Å; M399-I429 HydrophobicContact CB-CG1 4.03Å; I429-D433 WeakPolarHBondContact CA-OD2 3.29Å; I429-D433 HydrophobicContact CG2-CB 3.98Å; I429-Y434 HydrophobicContact CG2-CD2 4.21Å; I429-Y434 HydrophobicContact CG2-CE2 3.53Å; I429-A465 HydrophobicContact CD1-CB 3.54Å; I429-A465 HydrophobicContact CG1-CB 4.06Å; I429-A466 HydrophobicContact CG2-CB 3.84Å
430R97.5Very high97.4Very high127 Ų12753.2 Ų53.248%0.47926%0.258SS..  trans-126.5167.4-175.1-55.8-66.1-177.2171.2-2110.8T428 E432 D433 Y434T428-R430 VanDerWaalsContact CG2-CZ 3.43Å; R430-E432 WeakPolarHBondContact CB-OE2 3.39Å; R430-E432 PolarHBondContact O-N 3.12Å; R430-E432 VanDerWaalsContact O-N 3.16Å; R430-D433 PolarHBondContact N-OD2 2.88Å; R430-D433 WeakPolarHBondContact O-CB 3.39Å; R430-D433 PolarHBondContact O-N 3.35Å; R430-Y434 VanDerWaalsContact O-CD2 3.23Å; R430-Y434 WeakPolarHBondContact O-CD2 3.49Å; R430-Y434 PolarHBondContact O-N 2.61Å
431K96.8Very high97.3Very high162 Ų16255.2 Ų55.270%0.70427%0.272SS*.Hα-helixtrans-57.7-30.1-179.666.1178.5-177.2179.20112.4D433 Y434 A435K431-D433 VanDerWaalsContact C-N 3.32Å; K431-Y434 PolarHBondContact O-N 2.72Å; K431-A435 WeakPolarHBondContact O-CB 3.35Å; K431-A435 PolarHBondContact O-N 2.88Å
432E97.3Very high97.3Very high91 Ų9161.3 Ų61.343%0.42530%0.298SS..Hα-helixtrans-64-37.4177.3-65.472-157.700111.5R430 A435 M436R430-E432 WeakPolarHBondContact CB-OE2 3.39Å; R430-E432 PolarHBondContact O-N 3.12Å; R430-E432 VanDerWaalsContact O-N 3.16Å; E432-A435 PolarHBondContact O-N 2.9Å; E432-M436 PolarHBondContact O-N 3.44Å
433D97.5Very high97.2Very high0 Ų067.4 Ų67.40%032%0.321CS..Hα-helixtrans-66.5-44.8178.2-54.9-45.1000110.4I429 R430 K431 A435 M436 N437 R459 Q462 A466I429-D433 WeakPolarHBondContact CA-OD2 3.29Å; I429-D433 HydrophobicContact CG2-CB 3.98Å; R430-D433 PolarHBondContact N-OD2 2.88Å; R430-D433 WeakPolarHBondContact O-CB 3.39Å; R430-D433 PolarHBondContact O-N 3.35Å; K431-D433 VanDerWaalsContact C-N 3.32Å; D433-A435 VanDerWaalsContact C-N 3.33Å; D433-A435 PolarHBondContact O-N 2.86Å; D433-M436 PolarHBondContact O-N 2.94Å; D433-N437 PolarHBondContact O-OD1 2.96Å; D433-R459 WeakPolarHBondContact OD1-CB 3.47Å; D433-R459 IonicContact OD1-CZ 3.43Å; D433-R459 IonicContact OD1-NE 2.74Å; D433-R459 PolarHBondContact OD1-NE 3.48Å; D433-R459 IonicContact OD1-NH2 3.28Å; D433-R459 PolarHBondContact OD1-NH2 2.78Å; D433-R459 IonicContact OD2-CZ 4Å; D433-R459 IonicContact OD2-NE 2.67Å; D433-R459 PolarHBondContact OD2-NE 3.21Å; D433-R459 IonicContact OD2-NH2 2.8Å; D433-R459 PolarHBondContact OD2-NH2 3.25Å; D433-Q462 HydrophobicContact CB-CB 4.41Å; D433-Q462 VanDerWaalsContact CG-CB 3.48Å; D433-Q462 WeakPolarHBondContact OD2-CB 3.44Å; D433-A466 HydrophobicContact CB-CB 3.75Å
434Y97.4Very high97.2Very high72 Ų7266.7 Ų66.728%0.28232%0.318SS..Hα-helixtrans-63.2-39.1172.7-65.7-83.9000112I429 R430 K431 M436 N437 K438 A466 V469 V470I429-Y434 HydrophobicContact CG2-CD2 4.21Å; I429-Y434 HydrophobicContact CG2-CE2 3.53Å; R430-Y434 VanDerWaalsContact O-CD2 3.23Å; R430-Y434 WeakPolarHBondContact O-CD2 3.49Å; R430-Y434 PolarHBondContact O-N 2.61Å; K431-Y434 PolarHBondContact O-N 2.72Å; Y434-M436 VanDerWaalsContact C-N 3.29Å; Y434-M436 PolarHBondContact O-N 3.48Å; Y434-N437 PolarHBondContact O-N 3.29Å; Y434-K438 PolarHBondContact O-N 2.74Å; Y434-A466 HydrophobicContact CD1-CB 3.89Å; Y434-A466 HydrophobicContact CD2-CB 4.32Å; Y434-A466 HydrophobicContact CE1-CB 4.03Å; Y434-A466 HydrophobicContact CE2-CB 4.44Å; Y434-A466 HydrophobicContact CG-CB 4.04Å; Y434-V469 HydrophobicContact CE1-CB 4.19Å; Y434-V469 HydrophobicContact CE1-CG1 4.06Å; Y434-V470 HydrophobicContact CD1-CG2 3.89Å; Y434-V470 HydrophobicContact CE1-CG2 4.19Å
435A97.2Very high97.2Very high44 Ų4469.6 Ų69.636%0.36433%0.333SS..Hα-helixtrans-64.3-33.3-179.900000112.6K431 E432 D433 N437 K438 K440K431-A435 WeakPolarHBondContact O-CB 3.35Å; K431-A435 PolarHBondContact O-N 2.88Å; E432-A435 PolarHBondContact O-N 2.9Å; D433-A435 VanDerWaalsContact C-N 3.33Å; D433-A435 PolarHBondContact O-N 2.86Å; A435-N437 VanDerWaalsContact C-N 3.3Å; A435-N437 PolarHBondContact O-N 3.42Å; A435-K438 PolarHBondContact O-N 3.01Å; A435-K440 PolarHBondContact O-NZ 3.28Å
436M95.7Very high97.2Very high71 Ų7166.8 Ų66.835%0.3532%0.32SS..Hα-helixtrans-60.3-41.2174-75.7-171.1162.500111.8E432 D433 Y434 K440 T457 M463E432-M436 PolarHBondContact O-N 3.44Å; D433-M436 PolarHBondContact O-N 2.94Å; Y434-M436 VanDerWaalsContact C-N 3.29Å; Y434-M436 PolarHBondContact O-N 3.48Å; M436-K440 PolarHBondContact O-NZ 3.36Å; M436-T457 HydrophobicContact CE-CG2 4.47Å; M436-T457 HydrophobicContact SD-CG2 4.33Å; M436-M463 HydrophobicContact CB-CG 3.84Å; M436-M463 HydrophobicContact SD-CB 4.22Å; M436-M463 HydrophobicContact SD-CG 4.06Å
437N96.8Very high97.1Very high1 Ų165.2 Ų65.21%0.00531%0.312CS..Hα-helixtrans-83.3-8.8-179-62.6115.6000114.9D433 Y434 A435 A439 L446 L447 Q448 M463 F467D433-N437 PolarHBondContact O-OD1 2.96Å; Y434-N437 PolarHBondContact O-N 3.29Å; A435-N437 VanDerWaalsContact C-N 3.3Å; A435-N437 PolarHBondContact O-N 3.42Å; N437-A439 PolarHBondContact O-N 2.92Å; N437-L446 HydrophobicContact CB-CD1 3.82Å; N437-L446 HydrophobicContact CB-CG 4.49Å; N437-L446 VanDerWaalsContact O-CD1 3.29Å; N437-L446 WeakPolarHBondContact O-CD1 3.33Å; N437-L447 WeakPolarHBondContact CA-O 3.49Å; N437-L447 WeakPolarHBondContact CB-O 3.46Å; N437-L447 PolarHBondContact ND2-O 2.92Å; N437-L447 PolarHBondContact O-N 3.37Å; N437-Q448 PolarHBondContact ND2-O 2.99Å; N437-Q448 VanDerWaalsContact ND2-O 3.1Å; N437-M463 PolarHBondContact ND2-SD 3.4Å; N437-M463 WeakPolarHBondContact OD1-CG 3.25Å; N437-M463 PolarHBondContact OD1-O 3.25Å; N437-M463 VanDerWaalsContact OD1-O 3.05Å; N437-F467 PolarHBondContact OD1-N 2.98Å
438K96.7Very high97.1Very high139 Ų13964.8 Ų64.860%0.60431%0.309SS*.BIsolated β-bridgetrans-55.9142175.9-75.2-175.1177.3-172.30111.4Y434 A435 K440Y434-K438 PolarHBondContact O-N 2.74Å; A435-K438 PolarHBondContact O-N 3.01Å; K438-K440 WeakPolarHBondContact O-CD 3.41Å; K438-K440 VanDerWaalsContact O-CE 3.23Å; K438-K440 WeakPolarHBondContact O-CE 3.08Å; K438-K440 PolarHBondContact O-NZ 2.8Å; K438-K440 VanDerWaalsContact O-NZ 3.07Å
439A95.8Very high97Very high40 Ų4062.8 Ų62.833%0.33130%0.297SS..  trans-44.2142.5168.800000112.1N437 E444N437-A439 PolarHBondContact O-N 2.92Å; A439-E444 HydrophobicContact CB-CG 4.04Å; A439-E444 WeakPolarHBondContact CB-O 3.49Å
440K94.5Very high96.8Very high131 Ų13164.6 Ų64.657%0.5731%0.307SS*.SBendtrans-107.5-12177-52.2-55.3176.6-154.80111.7A435 M436 K438 E444 L447A435-K440 PolarHBondContact O-NZ 3.28Å; M436-K440 PolarHBondContact O-NZ 3.36Å; K438-K440 WeakPolarHBondContact O-CD 3.41Å; K438-K440 VanDerWaalsContact O-CE 3.23Å; K438-K440 WeakPolarHBondContact O-CE 3.08Å; K438-K440 PolarHBondContact O-NZ 2.8Å; K438-K440 VanDerWaalsContact O-NZ 3.07Å; K440-E444 PolarHBondContact N-OE1 3.42Å; K440-L447 HydrophobicContact CD-CD2 4.5Å; K440-L447 HydrophobicContact CG-CD2 3.95Å
441S95.7Very high96.3Very high42 Ų4264.9 Ų64.929%0.29432%0.318SS..SBendtrans-143176.2176.280.20000111.2Y443 E444S441-Y443 PolarHBondContact O-N 2.87Å; S441-Y443 WeakPolarHBondContact OG-CD2 3.43Å; S441-Y443 PolarHBondContact OG-N 2.78Å; S441-E444 PolarHBondContact N-OE1 2.96Å; S441-E444 VanDerWaalsContact OG-CD 3.29Å; S441-E444 PolarHBondContact OG-OE1 3.18Å; S441-E444 PolarHBondContact OG-OE2 3.2Å
442E96.9Very high95.9Very high152 Ų15261.8 Ų61.871%0.7131%0.309SS*.SBendtrans-74-13.4175.564.7-174.4148.100114R345R345-E442 PolarHBondContact NH1-O 2.97Å; R345-E442 PolarHBondContact NH2-O 3Å; R345-E442 VanDerWaalsContact NH2-O 3.16Å
443Y97.2Very high95.5Very high138 Ų13859.9 Ų59.954%0.54131%0.308SS..SBendtrans-76.3-29.2-173.4-52.7-56.7000113.3R345 S441R345-Y443 VanDerWaalsContact NH1-C 3.31Å; R345-Y443 PolarHBondContact NH1-O 2.88Å; S441-Y443 PolarHBondContact O-N 2.87Å; S441-Y443 WeakPolarHBondContact OG-CD2 3.43Å; S441-Y443 PolarHBondContact OG-N 2.78Å
444E98Very high95Very high4 Ų461.3 Ų61.32%0.01932%0.318CS..  trans-119.9158.7179.473.9-77.3163.800111.9R347 A439 K440 S441R347-E444 HydrophobicContact CB-CB 3.83Å; R347-E444 HydrophobicContact CB-CG 3.75Å; R347-E444 IonicContact CZ-OE2 3.31Å; R347-E444 IonicContact NE-OE2 3.41Å; R347-E444 PolarHBondContact NE-OE2 3.47Å; R347-E444 IonicContact NH2-OE2 3.22Å; R347-E444 PolarHBondContact NH2-OE2 3.29Å; A439-E444 HydrophobicContact CB-CG 4.04Å; A439-E444 WeakPolarHBondContact CB-O 3.49Å; K440-E444 PolarHBondContact N-OE1 3.42Å; S441-E444 PolarHBondContact N-OE1 2.96Å; S441-E444 VanDerWaalsContact OG-CD 3.29Å; S441-E444 PolarHBondContact OG-OE1 3.18Å; S441-E444 PolarHBondContact OG-OE2 3.2Å
445D98.3Very high94.7Very high61 Ų6160.6 Ų60.633%0.32632%0.324SS..SBendtrans-95.4-26.2169.9-54.9-51.1000110.8R345R345-D445 VanDerWaalsContact CB-OD2 3.32Å; R345-D445 WeakPolarHBondContact CB-OD2 3.2Å; R345-D445 WeakPolarHBondContact CG-OD2 3.2Å; R345-D445 IonicContact CZ-OD1 2.93Å; R345-D445 IonicContact CZ-OD2 3.14Å; R345-D445 PolarHBondContact N-OD2 3.11Å; R345-D445 IonicContact NE-OD1 3.14Å; R345-D445 PolarHBondContact NE-OD1 3.29Å; R345-D445 IonicContact NE-OD2 3.92Å; R345-D445 PolarHBondContact NE-OD2 3.4Å; R345-D445 VanDerWaalsContact NE-OD2 3.08Å; R345-D445 IonicContact NH2-OD1 3.76Å; R345-D445 PolarHBondContact NH2-OD1 3.4Å; R345-D445 PolarHBondContact O-N 3.11Å
446L98.1Very high94.5Very high5 Ų561.4 Ų61.43%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-145.2135.1-172.4-164.671000111.4R345 V346 R347 N437 F467 V470 A471R345-L446 PolarHBondContact O-N 3.28Å; R345-L446 VanDerWaalsContact O-N 3.13Å; V346-L446 CarbonylContact C-O 3.11Å; V346-L446 WeakPolarHBondContact CA-O 3.41Å; V346-L446 HydrophobicContact CG2-CB 4.43Å; V346-L446 HydrophobicContact CG2-CD2 4.38Å; R347-L446 PolarHBondContact N-O 2.81Å; N437-L446 HydrophobicContact CB-CD1 3.82Å; N437-L446 HydrophobicContact CB-CG 4.49Å; N437-L446 VanDerWaalsContact O-CD1 3.29Å; N437-L446 WeakPolarHBondContact O-CD1 3.33Å; L446-F467 HydrophobicContact CD2-CD2 3.51Å; L446-F467 HydrophobicContact CD2-CE2 3.41Å; L446-F467 VanDerWaalsContact CD2-CE2 3.41Å; L446-F467 HydrophobicContact CD2-CG 4.42Å; L446-F467 HydrophobicContact CD2-CZ 4.25Å; L446-F467 HydrophobicContact CG-CD2 3.96Å; L446-F467 HydrophobicContact CG-CE2 3.99Å; L446-V470 HydrophobicContact CD1-CB 3.88Å; L446-V470 HydrophobicContact CD1-CG1 3.69Å; L446-V470 HydrophobicContact CD2-CB 4.2Å; L446-V470 HydrophobicContact CD2-CG1 4.27Å; L446-A471 HydrophobicContact CD2-CB 3.69Å
447L98.1Very high94.4Very high21 Ų2158.1 Ų58.111%0.1131%0.314CS..EExtended strand (participates in β ladder)trans-94.6127.3168.9178.866.1000109.8R347 N437 K440 C449R347-L447 HydrophobicContact CB-CD1 4.28Å; R347-L447 HydrophobicContact CG-CD1 4.22Å; N437-L447 WeakPolarHBondContact CA-O 3.49Å; N437-L447 WeakPolarHBondContact CB-O 3.46Å; N437-L447 PolarHBondContact ND2-O 2.92Å; N437-L447 PolarHBondContact O-N 3.37Å; K440-L447 HydrophobicContact CD-CD2 4.5Å; K440-L447 HydrophobicContact CG-CD2 3.95Å; L447-C449 WeakPolarHBondContact CG-O 3.43Å
448Q97.8Very high94.3Very high0 Ų062.3 Ų62.30%034%0.342CS..  trans-58.1-52.7179.4-179.7-159.617.500113.1V346 R347 N350 A353 R356 M357 N437 F467V346-Q448 HydrophobicContact CG1-CB 4.28Å; R347-Q448 VanDerWaalsContact O-CB 3.31Å; R347-Q448 WeakPolarHBondContact O-CB 3.29Å; R347-Q448 PolarHBondContact O-N 2.77Å; N350-Q448 PolarHBondContact O-NE2 3.23Å; N350-Q448 PolarHBondContact O-OE1 3.4Å; N350-Q448 VanDerWaalsContact O-OE1 3.11Å; A353-Q448 VanDerWaalsContact C-NE2 3.32Å; A353-Q448 HydrophobicContact CB-CG 4.46Å; A353-Q448 PolarHBondContact O-NE2 3.09Å; R356-Q448 HydrophobicContact CG-CG 4.46Å; R356-Q448 PolarHBondContact NH1-O 3.11Å; M357-Q448 HydrophobicContact CG-CG 4.42Å; M357-Q448 HydrophobicContact SD-CG 3.97Å; N437-Q448 PolarHBondContact ND2-O 2.99Å; N437-Q448 VanDerWaalsContact ND2-O 3.1Å; Q448-F467 HydrophobicContact CB-CE2 4.25Å
449C96.4Very high94.3Very high6 Ų659.2 Ų59.24%0.04133%0.326CS..  trans-166.1175.1-179.659.40000110.6A353 L447 M463A353-C449 HydrophobicContact CB-CB 4.33Å; A353-C449 VanDerWaalsContact CB-SG 3.52Å; L447-C449 WeakPolarHBondContact CG-O 3.43Å; C449-M463 HydrophobicContact CB-CE 3.81Å; C449-M463 HydrophobicContact CB-SD 4.44Å
450N92.6Very high94.3Very high49 Ų4957.3 Ų57.326%0.26231%0.311SS..  trans-80.5-175.1166.165.720.3000110.5L452 T457N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact OD1-N 2.96Å; N450-L452 VanDerWaalsContact OD1-N 3.08Å; N450-L452 PolarHBondContact OD1-O 3.47Å; N450-T457 WeakPolarHBondContact ND2-CG2 3.42Å; N450-T457 PolarHBondContact ND2-OG1 3.02Å; N450-T457 PolarHBondContact OD1-OG1 3.3Å
451N88.4Confident94.5Very high134 Ų13451.1 Ų51.172%0.71728%0.284SS*.SBendtrans-88.41.1-176.8-57.45000113.4
452L88.6Confident94.6Very high97 Ų9749.7 Ų49.751%0.50827%0.272SS..SBendtrans-91.9147.5178.8-65.5177.7000109.9N450 A456N450-L452 VanDerWaalsContact C-N 3.33Å; N450-L452 PolarHBondContact OD1-N 2.96Å; N450-L452 VanDerWaalsContact OD1-N 3.08Å; N450-L452 PolarHBondContact OD1-O 3.47Å; L452-A456 HydrophobicContact CB-CB 4.44Å
453A87.2Confident94.6Very high50 Ų5042.6 Ų42.641%0.41324%0.239SC..  trans-53.5146.7166.200000110.3S455 A456 T457A453-S455 PolarHBondContact O-N 3.32Å; A453-S455 VanDerWaalsContact O-N 3.16Å; A453-A456 CarbonylContact O-C 3.54Å; A453-A456 WeakPolarHBondContact O-CA 3.45Å; A453-A456 PolarHBondContact O-N 3.04Å; A453-T457 PolarHBondContact O-N 2.95Å; A453-T457 VanDerWaalsContact O-N 3.13Å; A453-T457 PolarHBondContact O-OG1 3.44Å
454S88.3Confident94.7Very high30 Ų3036 Ų3621%0.2121%0.213CC..G310 helixtrans-55.3-37.8-179.9610000112.1G386 H387 A456 T457G386-S454 PolarHBondContact N-OG 2.94Å; G386-S454 VanDerWaalsContact N-OG 3.16Å; H387-S454 WeakPolarHBondContact CB-O 3.37Å; S454-A456 PolarHBondContact O-N 2.82Å; S454-T457 PolarHBondContact O-N 2.67Å; S454-T457 VanDerWaalsContact O-N 3.13Å
455S91.5Very high94.7Very high58 Ų5835.9 Ų35.941%0.40621%0.213SC..G310 helixtrans-62.6-21175.954.10000114.9A453A453-S455 PolarHBondContact O-N 3.32Å; A453-S455 VanDerWaalsContact O-N 3.16Å
456A92.3Very high94.7Very high61 Ų6133 Ų3350%0.50420%0.197SC..G310 helixtrans-105-3.2177.500000112.8L452 A453 S454L452-A456 HydrophobicContact CB-CB 4.44Å; A453-A456 CarbonylContact O-C 3.54Å; A453-A456 WeakPolarHBondContact O-CA 3.45Å; A453-A456 PolarHBondContact O-N 3.04Å; S454-A456 PolarHBondContact O-N 2.82Å
457T94Very high94.7Very high1 Ų132.7 Ų32.71%0.00620%0.196CC..SBendtrans-91.5122.2177.3-68.60000110H387 M436 N450 A453 S454 R459 G460H387-T457 PolarHBondContact CD2-O 2.76Å; M436-T457 HydrophobicContact CE-CG2 4.47Å; M436-T457 HydrophobicContact SD-CG2 4.33Å; N450-T457 WeakPolarHBondContact ND2-CG2 3.42Å; N450-T457 PolarHBondContact ND2-OG1 3.02Å; N450-T457 PolarHBondContact OD1-OG1 3.3Å; A453-T457 PolarHBondContact O-N 2.95Å; A453-T457 VanDerWaalsContact O-N 3.13Å; A453-T457 PolarHBondContact O-OG1 3.44Å; S454-T457 PolarHBondContact O-N 2.67Å; S454-T457 VanDerWaalsContact O-N 3.13Å; T457-R459 PolarHBondContact O-N 2.73Å; T457-G460 VanDerWaalsContact O-CA 3.27Å; T457-G460 WeakPolarHBondContact O-CA 3.48Å; T457-G460 PolarHBondContact O-N 2.91Å
458P94.2Very high94.7Very high89 Ų8931.7 Ų31.758%0.57819%0.191SC*.THydrogen-bonded Turntrans-54.3132.1170.7-24.934.3000110.8G460P458-G460 PolarHBondContact O-N 3.43Å
459R95.9Very high94.8Very high75 Ų7531.9 Ų31.928%0.28319%0.192SC..THydrogen-bonded Turntrans61.133.7-174.8-50.5-177.156.469.98.5113.4H387 T428 D433 T457 H461 Q462 M463H387-R459 PolarHBondContact NE2-N 2.82Å; T428-R459 PolarHBondContact O-NH2 3.03Å; D433-R459 WeakPolarHBondContact OD1-CB 3.47Å; D433-R459 IonicContact OD1-CZ 3.43Å; D433-R459 IonicContact OD1-NE 2.74Å; D433-R459 PolarHBondContact OD1-NE 3.48Å; D433-R459 IonicContact OD1-NH2 3.28Å; D433-R459 PolarHBondContact OD1-NH2 2.78Å; D433-R459 IonicContact OD2-CZ 4Å; D433-R459 IonicContact OD2-NE 2.67Å; D433-R459 PolarHBondContact OD2-NE 3.21Å; D433-R459 IonicContact OD2-NH2 2.8Å; D433-R459 PolarHBondContact OD2-NH2 3.25Å; T457-R459 PolarHBondContact O-N 2.73Å; R459-H461 PolarHBondContact O-N 3.4Å; R459-H461 VanDerWaalsContact O-N 3.07Å; R459-Q462 PolarHBondContact O-N 2.9Å; R459-Q462 VanDerWaalsContact O-N 3.11Å; R459-Q462 PolarHBondContact O-OE1 2.87Å; R459-Q462 VanDerWaalsContact O-OE1 3.1Å; R459-M463 PolarHBondContact O-N 2.91Å; R459-M463 VanDerWaalsContact O-N 3.1Å
460G96.9Very high94.9Very high0 Ų032.7 Ų32.70%020%0.196CC..THydrogen-bonded Turntrans-63.5-15.1-169.900000116.1T385 H387 T457 P458 P464T385-G460 WeakPolarHBondContact CG2-O 3.37Å; H387-G460 PolarHBondContact CD2-N 3.05Å; H387-G460 PolarHBondContact NE2-N 3.39Å; T457-G460 VanDerWaalsContact O-CA 3.27Å; T457-G460 WeakPolarHBondContact O-CA 3.48Å; T457-G460 PolarHBondContact O-N 2.91Å; P458-G460 PolarHBondContact O-N 3.43Å; G460-P464 WeakPolarHBondContact O-CD 3.34Å; G460-P464 WeakPolarHBondContact O-CG 3.26Å
461H97.8Very high95.2Very high1 Ų130.3 Ų30.31%0.00518%0.184CC..THydrogen-bonded Turntrans-101.9-22.5174.368.7-82000113.7T385 H387 A388 Y392 S427 R459T385-H461 HydrophobicContact CG2-CB 4.2Å; T385-H461 WeakPolarHBondContact OG1-CB 3.41Å; H387-H461 HydrophobicContact CB-CB 4.42Å; H387-H461 AromaticContact CE1-CE1 3.69Å; H387-H461 AromaticContact CE1-ND1 3.37Å; H387-H461 PolarHBondContact CE1-ND1 3Å; H387-H461 AromaticContact CG-ND1 3.72Å; H387-H461 AromaticContact ND1-CE1 3.47Å; H387-H461 PolarHBondContact ND1-CE1 2.9Å; H387-H461 AromaticContact ND1-CG 3.97Å; H387-H461 AromaticContact ND1-ND1 2.82Å; H387-H461 PolarHBondContact ND1-ND1 3.2Å; A388-H461 HydrophobicContact CB-CB 4.16Å; Y392-H461 AromaticContact CE2-NE2 3.69Å; S427-H461 WeakPolarHBondContact CB-NE2 3.31Å; S427-H461 PolarHBondContact OG-NE2 3.22Å; R459-H461 PolarHBondContact O-N 3.4Å; R459-H461 VanDerWaalsContact O-N 3.07Å
462Q98.3Very high95.7Very high12 Ų1224 Ų246%0.05615%0.15CC..Hα-helixtrans-79.5-36174.5-59.191.8-19.400112.3M399 S427 D433 R459 A465 A466M399-Q462 HydrophobicContact SD-CB 4.34Å; M399-Q462 HydrophobicContact SD-CG 3.89Å; S427-Q462 PolarHBondContact OG-NE2 3.17Å; D433-Q462 HydrophobicContact CB-CB 4.41Å; D433-Q462 VanDerWaalsContact CG-CB 3.48Å; D433-Q462 WeakPolarHBondContact OD2-CB 3.44Å; R459-Q462 PolarHBondContact O-N 2.9Å; R459-Q462 VanDerWaalsContact O-N 3.11Å; R459-Q462 PolarHBondContact O-OE1 2.87Å; R459-Q462 VanDerWaalsContact O-OE1 3.1Å; Q462-A465 WeakPolarHBondContact O-CB 3.22Å; Q462-A465 PolarHBondContact O-N 2.84Å; Q462-A466 PolarHBondContact O-N 3.08Å
463M97.5Very high96.1Very high3 Ų319.5 Ų19.52%0.01513%0.127CC..Hα-helixtrans-57.4-50.2175.6178.1-80.5-72.300113.4R356 M436 N437 C449 R459 A465 A466 F467R356-M463 VanDerWaalsContact NH1-CE 3.33Å; R356-M463 PolarHBondContact NH1-SD 3.17Å; M436-M463 HydrophobicContact CB-CG 3.84Å; M436-M463 HydrophobicContact SD-CB 4.22Å; M436-M463 HydrophobicContact SD-CG 4.06Å; N437-M463 PolarHBondContact ND2-SD 3.4Å; N437-M463 WeakPolarHBondContact OD1-CG 3.25Å; N437-M463 PolarHBondContact OD1-O 3.25Å; N437-M463 VanDerWaalsContact OD1-O 3.05Å; C449-M463 HydrophobicContact CB-CE 3.81Å; C449-M463 HydrophobicContact CB-SD 4.44Å; R459-M463 PolarHBondContact O-N 2.91Å; R459-M463 VanDerWaalsContact O-N 3.1Å; M463-A465 PolarHBondContact O-N 3.3Å; M463-A466 WeakPolarHBondContact O-CB 3.24Å; M463-A466 PolarHBondContact O-N 3.03Å; M463-A466 VanDerWaalsContact O-N 3.13Å; M463-F467 PolarHBondContact O-N 3.49Å
464P98Very high96.7Very high0 Ų017.1 Ų17.10%011%0.108CC..Hα-helixtrans-57.7-35.3173.7-11.913.5000113.9L384 T385 G460 F467 L468L384-P464 HydrophobicContact CD2-CB 3.46Å; L384-P464 VanDerWaalsContact CD2-CB 3.46Å; L384-P464 HydrophobicContact CD2-CG 4.21Å; L384-P464 HydrophobicContact CG-CB 4.23Å; T385-P464 HydrophobicContact CG2-CG 3.59Å; G460-P464 WeakPolarHBondContact O-CD 3.34Å; G460-P464 WeakPolarHBondContact O-CG 3.26Å; P464-F467 WeakPolarHBondContact O-CB 3.48Å; P464-F467 PolarHBondContact O-N 2.85Å; P464-L468 WeakPolarHBondContact O-CG 3.43Å; P464-L468 PolarHBondContact O-N 3.48Å
465A98.3Very high97.1Very high0 Ų018.7 Ų18.70%011%0.113CC..Hα-helixtrans-65.2-43.9176.200000111.1M399 I429 Q462 M463 L468 V469 H489M399-A465 HydrophobicContact CE-CB 4.36Å; M399-A465 HydrophobicContact SD-CB 4.13Å; I429-A465 HydrophobicContact CD1-CB 3.54Å; I429-A465 HydrophobicContact CG1-CB 4.06Å; Q462-A465 WeakPolarHBondContact O-CB 3.22Å; Q462-A465 PolarHBondContact O-N 2.84Å; M463-A465 PolarHBondContact O-N 3.3Å; A465-L468 PolarHBondContact O-N 3.26Å; A465-V469 WeakPolarHBondContact O-CG2 3.25Å; A465-V469 PolarHBondContact O-N 2.8Å; A465-V469 VanDerWaalsContact O-N 3.13Å; A465-H489 HydrophobicContact CB-CB 3.89Å
466A98.3Very high97.4Very high0 Ų022.1 Ų22.10%012%0.121CC..Hα-helixtrans-62.6-43.717400000112I429 D433 Y434 Q462 M463 L468 V469 V470I429-A466 HydrophobicContact CG2-CB 3.84Å; D433-A466 HydrophobicContact CB-CB 3.75Å; Y434-A466 HydrophobicContact CD1-CB 3.89Å; Y434-A466 HydrophobicContact CD2-CB 4.32Å; Y434-A466 HydrophobicContact CE1-CB 4.03Å; Y434-A466 HydrophobicContact CE2-CB 4.44Å; Y434-A466 HydrophobicContact CG-CB 4.04Å; Q462-A466 PolarHBondContact O-N 3.08Å; M463-A466 WeakPolarHBondContact O-CB 3.24Å; M463-A466 PolarHBondContact O-N 3.03Å; M463-A466 VanDerWaalsContact O-N 3.13Å; A466-L468 VanDerWaalsContact C-N 3.34Å; A466-L468 PolarHBondContact O-N 3.46Å; A466-V469 WeakPolarHBondContact O-CB 3.14Å; A466-V469 PolarHBondContact O-N 3.41Å; A466-V470 PolarHBondContact O-N 2.75Å
467F98.6Very high97.7Very high0 Ų020.8 Ų20.80%011%0.105CC..Hα-helixtrans-53.6-50.4172.4171.6-91.5000111.3V346 R356 M357 A360 N437 L446 Q448 M463 P464 V469 V470 A471V346-F467 HydrophobicContact CG1-CE2 3.83Å; V346-F467 HydrophobicContact CG1-CZ 3.97Å; R356-F467 HydrophobicContact CB-CD1 3.73Å; R356-F467 HydrophobicContact CB-CE1 3.91Å; R356-F467 HydrophobicContact CG-CD1 3.54Å; R356-F467 HydrophobicContact CG-CE1 3.49Å; R356-F467 VanDerWaalsContact CG-CE1 3.49Å; R356-F467 HydrophobicContact CG-CG 4.4Å; R356-F467 HydrophobicContact CG-CZ 4.31Å; M357-F467 HydrophobicContact SD-CE1 4.48Å; M357-F467 HydrophobicContact SD-CZ 3.97Å; A360-F467 HydrophobicContact CB-CE1 4.41Å; N437-F467 PolarHBondContact OD1-N 2.98Å; L446-F467 HydrophobicContact CD2-CD2 3.51Å; L446-F467 HydrophobicContact CD2-CE2 3.41Å; L446-F467 VanDerWaalsContact CD2-CE2 3.41Å; L446-F467 HydrophobicContact CD2-CG 4.42Å; L446-F467 HydrophobicContact CD2-CZ 4.25Å; L446-F467 HydrophobicContact CG-CD2 3.96Å; L446-F467 HydrophobicContact CG-CE2 3.99Å; Q448-F467 HydrophobicContact CB-CE2 4.25Å; M463-F467 PolarHBondContact O-N 3.49Å; P464-F467 WeakPolarHBondContact O-CB 3.48Å; P464-F467 PolarHBondContact O-N 2.85Å; F467-V469 VanDerWaalsContact C-N 3.3Å; F467-V469 PolarHBondContact O-N 3.08Å; F467-V470 PolarHBondContact O-N 3.05Å; F467-A471 HydrophobicContact CD1-CB 4.21Å; F467-A471 HydrophobicContact CE1-CB 3.75Å; F467-A471 HydrophobicContact CE2-CB 4.18Å; F467-A471 HydrophobicContact CZ-CB 3.75Å; F467-A471 VanDerWaalsContact O-CB 3.22Å; F467-A471 WeakPolarHBondContact O-CB 3.46Å; F467-A471 PolarHBondContact O-N 2.85Å
468L98.8Very high97.9Very high0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-60.2-39.4-179.1-76.5167.1000112.2R356 M359 A360 L363 T380 L384 P464 A465 A466 S472 Y487R356-L468 HydrophobicContact CB-CD2 4.15Å; R356-L468 HydrophobicContact CB-CG 4.23Å; R356-L468 WeakPolarHBondContact O-CD2 3.46Å; M359-L468 HydrophobicContact CB-CD2 4.04Å; M359-L468 HydrophobicContact CE-CD1 3.95Å; A360-L468 HydrophobicContact CB-CD2 4.27Å; L363-L468 HydrophobicContact CD2-CB 3.93Å; L363-L468 HydrophobicContact CD2-CD2 4.34Å; T380-L468 HydrophobicContact CG2-CD1 4.45Å; L384-L468 HydrophobicContact CD2-CD1 4.47Å; P464-L468 WeakPolarHBondContact O-CG 3.43Å; P464-L468 PolarHBondContact O-N 3.48Å; A465-L468 PolarHBondContact O-N 3.26Å; A466-L468 VanDerWaalsContact C-N 3.34Å; A466-L468 PolarHBondContact O-N 3.46Å; L468-S472 VanDerWaalsContact O-CB 3.3Å; L468-S472 WeakPolarHBondContact O-CB 3.32Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 VanDerWaalsContact O-N 3.15Å; L468-S472 PolarHBondContact O-OG 3.37Å; L468-Y487 WeakPolarHBondContact CB-OH 3.34Å; L468-Y487 WeakPolarHBondContact CD1-OH 3.08Å
469V98.7Very high98Very high4 Ų420.6 Ų20.62%0.02410%0.101CC..Hα-helixtrans-58.4-47.8175.5172.90000111.3Y434 A465 A466 F467 S472 G473 L474 D475 Y487Y434-V469 HydrophobicContact CE1-CB 4.19Å; Y434-V469 HydrophobicContact CE1-CG1 4.06Å; A465-V469 WeakPolarHBondContact O-CG2 3.25Å; A465-V469 PolarHBondContact O-N 2.8Å; A465-V469 VanDerWaalsContact O-N 3.13Å; A466-V469 WeakPolarHBondContact O-CB 3.14Å; A466-V469 PolarHBondContact O-N 3.41Å; F467-V469 VanDerWaalsContact C-N 3.3Å; F467-V469 PolarHBondContact O-N 3.08Å; V469-S472 PolarHBondContact O-OG 3.12Å; V469-G473 PolarHBondContact O-N 3.05Å; V469-L474 HydrophobicContact CG1-CB 4.16Å; V469-L474 WeakPolarHBondContact O-CB 3.09Å; V469-L474 PolarHBondContact O-N 3.41Å; V469-D475 HydrophobicContact CG1-CB 4.02Å; V469-D475 PolarHBondContact O-N 2.77Å; V469-Y487 HydrophobicContact CG2-CD1 3.63Å; V469-Y487 HydrophobicContact CG2-CE1 3.61Å
470V98.5Very high98.1Very high22 Ų2224 Ų2413%0.13313%0.125CC..Hα-helixtrans-76.9-45.8-177.8-173.80000111.7Y434 L446 A466 F467 S472 G473 D475Y434-V470 HydrophobicContact CD1-CG2 3.89Å; Y434-V470 HydrophobicContact CE1-CG2 4.19Å; L446-V470 HydrophobicContact CD1-CB 3.88Å; L446-V470 HydrophobicContact CD1-CG1 3.69Å; L446-V470 HydrophobicContact CD2-CB 4.2Å; L446-V470 HydrophobicContact CD2-CG1 4.27Å; A466-V470 PolarHBondContact O-N 2.75Å; F467-V470 PolarHBondContact O-N 3.05Å; V470-S472 PolarHBondContact O-N 3.2Å; V470-G473 PolarHBondContact O-N 2.98Å; V470-D475 HydrophobicContact CG2-CB 4.34Å
471A98.7Very high98.1Very high0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-60.3-32-17800000112.8S342 A360 L446 F467S342-A471 VanDerWaalsContact CB-O 3.27Å; S342-A471 WeakPolarHBondContact CB-O 3.48Å; S342-A471 PolarHBondContact OG-O 3.05Å; A360-A471 HydrophobicContact CB-CB 3.96Å; L446-A471 HydrophobicContact CD2-CB 3.69Å; F467-A471 HydrophobicContact CD1-CB 4.21Å; F467-A471 HydrophobicContact CE1-CB 3.75Å; F467-A471 HydrophobicContact CE2-CB 4.18Å; F467-A471 HydrophobicContact CZ-CB 3.75Å; F467-A471 VanDerWaalsContact O-CB 3.22Å; F467-A471 WeakPolarHBondContact O-CB 3.46Å; F467-A471 PolarHBondContact O-N 2.85Å
472S98.7Very high97.9Very high0 Ų035.2 Ų35.20%018%0.177CC..THydrogen-bonded Turntrans-85.1-11.9175.663.30000114.1K367 L468 V469 V470 L474K367-S472 PolarHBondContact NZ-O 2.96Å; L468-S472 VanDerWaalsContact O-CB 3.3Å; L468-S472 WeakPolarHBondContact O-CB 3.32Å; L468-S472 PolarHBondContact O-N 3.49Å; L468-S472 VanDerWaalsContact O-N 3.15Å; L468-S472 PolarHBondContact O-OG 3.37Å; V469-S472 PolarHBondContact O-OG 3.12Å; V470-S472 PolarHBondContact O-N 3.2Å; S472-L474 WeakPolarHBondContact OG-CD1 3.34Å; S472-L474 WeakPolarHBondContact OG-CG 3.18Å; S472-L474 PolarHBondContact OG-N 2.95Å
473G98.3Very high97.9Very high4 Ų438.3 Ų38.34%0.04120%0.197CC..THydrogen-bonded Turntrans76.318.6-172.300000114.4V469 V470 D475 K476V469-G473 PolarHBondContact O-N 3.05Å; V470-G473 PolarHBondContact O-N 2.98Å; G473-D475 VanDerWaalsContact C-N 3.26Å; G473-D475 VanDerWaalsContact C-OD1 3.25Å; G473-D475 VanDerWaalsContact CA-OD1 3.29Å; G473-D475 WeakPolarHBondContact CA-OD1 3.29Å; G473-K476 PolarHBondContact O-N 2.92Å
474L98.5Very high97.9Very high0 Ų045 Ų450%022%0.222CC..G310 helixtrans-71.9-19.9174.6-83.7168.3000112.9L363 K367 I378 V469 S472 K476 H477 I485 Y487L363-L474 HydrophobicContact CD1-CD1 3.85Å; L363-L474 HydrophobicContact CD2-CD1 3.89Å; L363-L474 HydrophobicContact CG-CD1 3.78Å; K367-L474 HydrophobicContact CB-CD2 4Å; K367-L474 HydrophobicContact CB-CG 4.29Å; K367-L474 HydrophobicContact CD-CD2 4.49Å; K367-L474 HydrophobicContact CG-CD2 3.84Å; K367-L474 HydrophobicContact CG-CG 4.31Å; I378-L474 HydrophobicContact CD1-CD2 4.32Å; V469-L474 HydrophobicContact CG1-CB 4.16Å; V469-L474 WeakPolarHBondContact O-CB 3.09Å; V469-L474 PolarHBondContact O-N 3.41Å; S472-L474 WeakPolarHBondContact OG-CD1 3.34Å; S472-L474 WeakPolarHBondContact OG-CG 3.18Å; S472-L474 PolarHBondContact OG-N 2.95Å; L474-K476 PolarHBondContact O-N 2.77Å; L474-H477 CarbonylContact O-C 3.46Å; L474-H477 WeakPolarHBondContact O-CA 3.41Å; L474-H477 PolarHBondContact O-N 3.35Å; L474-I485 HydrophobicContact CD2-CB 3.98Å; L474-I485 HydrophobicContact CD2-CD1 4.42Å; L474-I485 HydrophobicContact CD2-CG2 3.71Å; L474-Y487 HydrophobicContact CD1-CD1 4.1Å; L474-Y487 HydrophobicContact CD1-CD2 3.97Å; L474-Y487 HydrophobicContact CD1-CG 3.69Å
475D97.6Very high97.9Very high62 Ų6245 Ų4533%0.33222%0.222SC..G310 helixtrans-56.5-34170.765.2-42.6000112V469 V470 G473 H477 G478V469-D475 HydrophobicContact CG1-CB 4.02Å; V469-D475 PolarHBondContact O-N 2.77Å; V470-D475 HydrophobicContact CG2-CB 4.34Å; G473-D475 VanDerWaalsContact C-N 3.26Å; G473-D475 VanDerWaalsContact C-OD1 3.25Å; G473-D475 VanDerWaalsContact CA-OD1 3.29Å; G473-D475 WeakPolarHBondContact CA-OD1 3.29Å; D475-H477 PolarHBondContact O-N 2.65Å; D475-G478 PolarHBondContact O-N 2.89Å
476K98.1Very high97.9Very high130 Ų13045.2 Ų45.257%0.56522%0.223SC*.G310 helixtrans-71.1-4.9173.5-57.4178-175.9176.40114.2G473 L474 A481G473-K476 PolarHBondContact O-N 2.92Å; L474-K476 PolarHBondContact O-N 2.77Å; K476-A481 VanDerWaalsContact O-CB 3.27Å; K476-A481 WeakPolarHBondContact O-CB 3.47Å
477H98.2Very high98Very high34 Ų3445.2 Ų45.216%0.15722%0.223CC..G310 helixtrans-12227.1179.8-64.2-70000112.1L371 P403 L474 D475 V483 I485L371-H477 VanDerWaalsContact CD2-CE1 3.41Å; L371-H477 WeakPolarHBondContact CD2-CE1 3.2Å; P403-H477 WeakPolarHBondContact CG-O 3.45Å; L474-H477 CarbonylContact O-C 3.46Å; L474-H477 WeakPolarHBondContact O-CA 3.41Å; L474-H477 PolarHBondContact O-N 3.35Å; D475-H477 PolarHBondContact O-N 2.65Å; H477-V483 PolarHBondContact ND1-O 3.29Å; H477-I485 HydrophobicContact CB-CB 3.94Å; H477-I485 HydrophobicContact CB-CD1 3.94Å; H477-I485 HydrophobicContact CB-CG1 3.88Å; H477-I485 PolarHBondContact O-N 3.04Å; H477-I485 VanDerWaalsContact O-N 3.07Å
478G97.5Very high98Very high13 Ų1345.2 Ų45.213%0.13422%0.223CC..SBendtrans-72.4-156.4175.800000114.5D475 D480 A481 R484D475-G478 PolarHBondContact O-N 2.89Å; G478-D480 VanDerWaalsContact C-N 3.32Å; G478-D480 PolarHBondContact O-N 3.18Å; G478-A481 PolarHBondContact O-N 3.1Å; G478-R484 WeakPolarHBondContact O-CG 3.34Å
479L97.4Very high98Very high72 Ų7245.2 Ų45.238%0.37722%0.223SC..THydrogen-bonded Turntrans-71.9-26.5-176.2-68.3175.5000113.5P403 V406 R484P403-L479 HydrophobicContact CG-CD2 4.46Å; V406-L479 HydrophobicContact CG2-CD2 3.68Å; L479-R484 PolarHBondContact O-NE 3.03Å; L479-R484 PolarHBondContact O-NH2 3.45Å
480D96.5Very high98Very high147 Ų14745 Ų4579%0.78622%0.222SC*.THydrogen-bonded Turntrans-83.5-12.4178.460-33.7000113.2G478G478-D480 VanDerWaalsContact C-N 3.32Å; G478-D480 PolarHBondContact O-N 3.18Å
481A97.1Very high98Very high18 Ų1844 Ų4415%0.14922%0.216CC..SBendtrans-78148.4-179.100000113.2K476 G478 R484K476-A481 VanDerWaalsContact O-CB 3.27Å; K476-A481 WeakPolarHBondContact O-CB 3.47Å; G478-A481 PolarHBondContact O-N 3.1Å; A481-R484 WeakPolarHBondContact O-CG 3.44Å
482K95.2Very high98Very high218 Ų21844 Ų4495%0.94822%0.216SC*.SBendtrans-64-44.9170.9-68-175.4-179.8-179.70111.8
483V96.8Very high97.9Very high77 Ų7744.9 Ų44.947%0.46722%0.223SC..SBendtrans-105.4103.6174.5-176.50000107.5L371 H477L371-V483 HydrophobicContact CD2-CB 4.42Å; L371-V483 HydrophobicContact CD2-CG1 3.92Å; H477-V483 PolarHBondContact ND1-O 3.29Å
484R97.7Very high97.8Very high143 Ų14344.9 Ų44.954%0.5422%0.223SC..  trans-89.4129.2-179.3-57.9-172.4176.5158.9-2.7110P403 G478 L479 A481P403-R484 HydrophobicContact CB-CB 4.05Å; P403-R484 HydrophobicContact CG-CB 3.84Å; G478-R484 WeakPolarHBondContact O-CG 3.34Å; L479-R484 PolarHBondContact O-NE 3.03Å; L479-R484 PolarHBondContact O-NH2 3.45Å; A481-R484 WeakPolarHBondContact O-CG 3.44Å
485I98.5Very high97.8Very high1 Ų145.3 Ų45.31%0.00523%0.226CC..  trans-115115179.7-61.6175.9000109K367 A370 L371 I378 N401 L474 H477 Y487K367-I485 HydrophobicContact CG-CD1 3.74Å; A370-I485 HydrophobicContact CB-CD1 4.31Å; A370-I485 HydrophobicContact CB-CG2 4.38Å; L371-I485 HydrophobicContact CD2-CD1 3.86Å; L371-I485 HydrophobicContact CG-CD1 4.28Å; I378-I485 HydrophobicContact CD1-CG2 3.48Å; I378-I485 VanDerWaalsContact CD1-CG2 3.48Å; I378-I485 HydrophobicContact CG1-CG2 3.83Å; N401-I485 PolarHBondContact ND2-O 2.95Å; L474-I485 HydrophobicContact CD2-CB 3.98Å; L474-I485 HydrophobicContact CD2-CD1 4.42Å; L474-I485 HydrophobicContact CD2-CG2 3.71Å; H477-I485 HydrophobicContact CB-CB 3.94Å; H477-I485 HydrophobicContact CB-CD1 3.94Å; H477-I485 HydrophobicContact CB-CG1 3.88Å; H477-I485 PolarHBondContact O-N 3.04Å; H477-I485 VanDerWaalsContact O-N 3.07Å; I485-Y487 PolarHBondContact O-N 2.93Å
486P98.7Very high97.7Very high4 Ų442.5 Ų42.53%0.02621%0.212CC..  trans-72.6125.3174.330.5-32.1000110P376 F377 I378 P403 A404 K407P376-P486 VanDerWaalsContact O-CD 3.31Å; P376-P486 WeakPolarHBondContact O-CD 3.47Å; P376-P486 WeakPolarHBondContact O-CG 3.34Å; F377-P486 HydrophobicContact CD1-CB 4.14Å; F377-P486 HydrophobicContact CD1-CG 3.85Å; F377-P486 HydrophobicContact CE1-CB 4.48Å; F377-P486 HydrophobicContact CE1-CG 4.22Å; F377-P486 HydrophobicContact CG-CG 4.24Å; I378-P486 PolarHBondContact N-O 3.44Å; P403-P486 HydrophobicContact CB-CB 4.29Å; A404-P486 HydrophobicContact CB-CB 3.87Å; K407-P486 HydrophobicContact CD-CB 4.33Å; K407-P486 HydrophobicContact CD-CG 4.26Å
487Y98.9Very high97.2Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-130.2134176.8165.2-108.9000110.5L363 I378 T380 N401 A404 L468 V469 L474 I485 H489L363-Y487 HydrophobicContact CD1-CD2 3.96Å; L363-Y487 HydrophobicContact CD1-CE2 3.74Å; L363-Y487 HydrophobicContact CD2-CD2 4.5Å; L363-Y487 HydrophobicContact CD2-CE2 3.82Å; L363-Y487 HydrophobicContact CG-CE2 4.45Å; I378-Y487 HydrophobicContact CB-CD2 4.18Å; I378-Y487 HydrophobicContact CG2-CD2 4.03Å; I378-Y487 VanDerWaalsContact O-CA 3.27Å; I378-Y487 WeakPolarHBondContact O-CA 3.42Å; T380-Y487 HydrophobicContact CG2-CE2 3.81Å; T380-Y487 WeakPolarHBondContact OG1-CE2 3.42Å; T380-Y487 PolarHBondContact OG1-OH 2.96Å; N401-Y487 HydrophobicContact CB-CD1 4.3Å; N401-Y487 WeakPolarHBondContact CB-O 3.39Å; N401-Y487 PolarHBondContact N-O 3.16Å; N401-Y487 PolarHBondContact OD1-N 2.79Å; N401-Y487 PolarHBondContact OD1-O 3.1Å; A404-Y487 WeakPolarHBondContact CB-O 3.43Å; L468-Y487 WeakPolarHBondContact CB-OH 3.34Å; L468-Y487 WeakPolarHBondContact CD1-OH 3.08Å; V469-Y487 HydrophobicContact CG2-CD1 3.63Å; V469-Y487 HydrophobicContact CG2-CE1 3.61Å; L474-Y487 HydrophobicContact CD1-CD1 4.1Å; L474-Y487 HydrophobicContact CD1-CD2 3.97Å; L474-Y487 HydrophobicContact CD1-CG 3.69Å; I485-Y487 PolarHBondContact O-N 2.93Å; Y487-H489 HydrophobicContact CE1-CB 4.36Å
488T98.9Very high96.8Very high1 Ų139.8 Ų39.81%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-129.5123.9176.2-56.30000109.6I378 F379 T380 V398 M399 D400 V409 L413 V490I378-T488 PolarHBondContact O-N 2.89Å; F379-T488 VanDerWaalsContact CA-O 3.31Å; F379-T488 WeakPolarHBondContact CA-O 3.46Å; F379-T488 HydrophobicContact CD1-CG2 4.24Å; F379-T488 HydrophobicContact CE1-CG2 4.2Å; T380-T488 PolarHBondContact N-O 3.37Å; V398-T488 HydrophobicContact CB-CG2 4.5Å; M399-T488 CarbonylContact O-C 3.59Å; M399-T488 WeakPolarHBondContact O-CA 3.48Å; D400-T488 WeakPolarHBondContact OD1-CB 3.33Å; D400-T488 WeakPolarHBondContact OD1-CG2 3.35Å; D400-T488 PolarHBondContact OD1-OG1 2.63Å; V409-T488 HydrophobicContact CG1-CG2 4.5Å; V409-T488 VanDerWaalsContact CG1-OG1 3.27Å; V409-T488 WeakPolarHBondContact CG1-OG1 3.46Å; L413-T488 HydrophobicContact CD1-CG2 4.32Å; T488-V490 HydrophobicContact CG2-CG2 4.32Å
489H98.9Very high96.4Very high0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-85.7135.3170.2-177.344.4000110.2T380 L384 V398 M399 A465 Y487T380-H489 PolarHBondContact OG1-ND1 2.82Å; L384-H489 WeakPolarHBondContact CD2-NE2 3.42Å; V398-H489 WeakPolarHBondContact CA-O 3.24Å; M399-H489 HydrophobicContact CB-CB 4.49Å; M399-H489 HydrophobicContact CE-CB 4.4Å; M399-H489 WeakPolarHBondContact CE-CD2 3.48Å; M399-H489 PolarHBondContact N-O 2.75Å; M399-H489 PolarHBondContact O-N 3.18Å; A465-H489 HydrophobicContact CB-CB 3.89Å; Y487-H489 HydrophobicContact CE1-CB 4.36Å
490V98.9Very high96Very high0 Ų046.7 Ų46.70%024%0.241CC..EExtended strand (participates in β ladder)trans-122.9103.7-179.1-1700000108.9F379 T380 I381 A382 T396 A397 V398 T488 V492 P507 M510 F511F379-V490 HydrophobicContact CD1-CG2 4.28Å; T380-V490 WeakPolarHBondContact O-CA 3.37Å; T380-V490 WeakPolarHBondContact O-CB 3.38Å; T380-V490 PolarHBondContact O-N 3.45Å; I381-V490 WeakPolarHBondContact CA-O 3.48Å; I381-V490 HydrophobicContact CG1-CB 4.23Å; I381-V490 HydrophobicContact CG1-CG2 4.5Å; A382-V490 PolarHBondContact N-O 2.89Å; T396-V490 HydrophobicContact CG2-CG1 3.28Å; A397-V490 CarbonylContact O-C 3.54Å; A397-V490 WeakPolarHBondContact O-CA 3.33Å; V398-V490 HydrophobicContact CG1-CG1 4.06Å; V398-V490 HydrophobicContact CG1-CG2 4.26Å; T488-V490 HydrophobicContact CG2-CG2 4.32Å; V490-V492 HydrophobicContact CG1-CG1 4.13Å; V490-P507 HydrophobicContact CG1-CB 4.38Å; V490-P507 HydrophobicContact CG1-CG 3.95Å; V490-M510 HydrophobicContact CG1-CE 4.49Å; V490-F511 HydrophobicContact CG2-CE2 4.33Å; V490-F511 HydrophobicContact CG2-CZ 4.24Å
491D98.8Very high95.8Very high0 Ų043.2 Ų43.20%023%0.225CC..EExtended strand (participates in β ladder)trans-93.7109.6177.2-167.5-16.6000109.9A382 L384 T385 A388 T396 A397 M399 A493A382-D491 CarbonylContact O-C 3.46Å; A382-D491 WeakPolarHBondContact O-CA 3.33Å; L384-D491 PolarHBondContact N-OD1 3.2Å; T385-D491 WeakPolarHBondContact CB-OD2 3.19Å; T385-D491 PolarHBondContact N-OD2 3.34Å; T385-D491 VanDerWaalsContact N-OD2 3.15Å; T385-D491 PolarHBondContact OG1-OD2 3.12Å; A388-D491 HydrophobicContact CB-CB 4.24Å; A388-D491 WeakPolarHBondContact CB-OD2 3.42Å; T396-D491 CarbonylContact C-O 3.07Å; T396-D491 WeakPolarHBondContact CA-O 3.35Å; A397-D491 HydrophobicContact CB-CB 4.25Å; A397-D491 PolarHBondContact N-O 3.05Å; A397-D491 PolarHBondContact O-N 2.74Å; M399-D491 HydrophobicContact CE-CB 4.32Å; D491-A493 WeakPolarHBondContact OD1-CB 3.29Å; D491-A493 PolarHBondContact OD1-N 3.23Å
492V98.6Very high95.7Very high0 Ų044.3 Ų44.30%023%0.23CC..  trans-100.515.4-179.3-62.30000112.7I381 A382 T383 T396 V490 G494 S495 A496 P507I381-V492 HydrophobicContact CG2-CG1 4.11Å; I381-V492 HydrophobicContact CG2-CG2 4.32Å; A382-V492 WeakPolarHBondContact O-CG2 3.36Å; A382-V492 PolarHBondContact O-N 2.72Å; T383-V492 HydrophobicContact CG2-CG2 4.01Å; T396-V492 HydrophobicContact CG2-CG1 3.87Å; V490-V492 HydrophobicContact CG1-CG1 4.13Å; V492-G494 PolarHBondContact O-N 2.8Å; V492-S495 WeakPolarHBondContact CA-OG 3.47Å; V492-S495 WeakPolarHBondContact CB-OG 3.44Å; V492-S495 PolarHBondContact O-N 3.43Å; V492-A496 WeakPolarHBondContact O-CB 3.5Å; V492-A496 PolarHBondContact O-N 3.33Å; V492-P507 HydrophobicContact CG1-CB 4.35Å; V492-P507 HydrophobicContact CG1-CG 4.06Å
493A97.2Very high95.7Very high18 Ų1834.2 Ų34.215%0.14919%0.187CC..THydrogen-bonded Turntrans-55.1-38-179.700000112.7T385 I389 D491T385-A493 VanDerWaalsContact O-CB 3.23Å; T385-A493 WeakPolarHBondContact O-CB 3.3Å; I389-A493 HydrophobicContact CD1-CB 4.14Å; I389-A493 HydrophobicContact CG1-CB 3.87Å; D491-A493 WeakPolarHBondContact OD1-CB 3.29Å; D491-A493 PolarHBondContact OD1-N 3.23Å
494G95.7Very high95.7Very high4 Ų432.7 Ų32.74%0.04118%0.178CC..THydrogen-bonded Turntrans-75.8-46.1175.100000113.4K393 H394 V492K393-G494 CarbonylContact O-C 3.53Å; K393-G494 WeakPolarHBondContact O-CA 3.17Å; H394-G494 WeakPolarHBondContact CA-O 3.44Å; V492-G494 PolarHBondContact O-N 2.8Å
495S97.8Very high95.8Very high9 Ų926.4 Ų26.46%0.06316%0.157CC..THydrogen-bonded Turntrans-81.2-18.4-171.854.80000114.9H394 T396 V492 G497 T504H394-S495 WeakPolarHBondContact O-CA 3.23Å; H394-S495 WeakPolarHBondContact O-CB 3.04Å; T396-S495 WeakPolarHBondContact OG1-CB 3.5Å; T396-S495 PolarHBondContact OG1-OG 3.15Å; V492-S495 WeakPolarHBondContact CA-OG 3.47Å; V492-S495 WeakPolarHBondContact CB-OG 3.44Å; V492-S495 PolarHBondContact O-N 3.43Å; S495-G497 PolarHBondContact O-N 3.5Å; S495-T504 WeakPolarHBondContact O-CB 3.13Å; S495-T504 WeakPolarHBondContact O-CG2 3.28Å; S495-T504 PolarHBondContact O-OG1 3.1Å
496A96Very high95.8Very high4 Ų426.5 Ų26.53%0.03316%0.158CC..THydrogen-bonded Turntrans-62.9-24178.700000113.6C294 T383 V492 P503 T504C294-A496 HydrophobicContact CB-CB 3.72Å; T383-A496 HydrophobicContact CG2-CB 3.83Å; V492-A496 WeakPolarHBondContact O-CB 3.5Å; V492-A496 PolarHBondContact O-N 3.33Å; A496-P503 WeakPolarHBondContact O-CA 3.47Å; A496-T504 PolarHBondContact O-N 3.01Å
497G88.2Confident95.8Very high16 Ų1626.4 Ų26.417%0.16516%0.157CC..  trans93.6147.6177.600000114.1R291 S495R291-G497 WeakPolarHBondContact CD-O 3.4Å; R291-G497 PolarHBondContact NH1-O 3.16Å; R291-G497 VanDerWaalsContact NH1-O 3.1Å; S495-G497 PolarHBondContact O-N 3.5Å
498D89.6Confident95.8Very high90 Ų9026.5 Ų26.548%0.48116%0.157SC..  trans-66.3163.2-177.7-63.7-43000113.3R291 H394 N500 V501R291-D498 PolarHBondContact NH1-O 3.38Å; R291-D498 PolarHBondContact NH2-O 2.98Å; H394-D498 IonicContact CE1-OD2 3.89Å; D498-N500 PolarHBondContact O-N 2.98Å; D498-V501 HydrophobicContact CB-CG2 4.15Å; D498-V501 PolarHBondContact O-N 3.44Å
499I89.8Confident95.7Very high77 Ų7726.8 Ų26.840%0.39516%0.159SC..THydrogen-bonded Turntrans-49.7-37-177.8-166.3-179.4000114R291R291-I499 PolarHBondContact NH2-O 2.99Å; R291-I499 VanDerWaalsContact NH2-O 3.07Å
500N88.1Confident95.7Very high153 Ų15326.8 Ų26.882%0.81816%0.159SC*.THydrogen-bonded Turntrans-94.61.3-176.5-62.9-32.8000113.9D498D498-N500 PolarHBondContact O-N 2.98Å
501V92.3Very high95.7Very high74 Ų7426.9 Ų26.945%0.44816%0.159SC..SBendtrans-109.8140-177-179.10000109R291 D498R291-V501 PolarHBondContact NH1-O 2.93Å; R291-V501 PolarHBondContact NH2-O 3.42Å; D498-V501 HydrophobicContact CB-CG2 4.15Å; D498-V501 PolarHBondContact O-N 3.44Å
502T94.7Very high95.7Very high41 Ų4126.9 Ų26.925%0.25216%0.159SC..  trans-51.1126.6172.5-59.20000109.8Y143 T504Y143-T502 HydrophobicContact CD1-CG2 3.55Å; Y143-T502 HydrophobicContact CE1-CG2 3.92Å; Y143-T502 HydrophobicContact CG-CG2 4.5Å; T502-T504 PolarHBondContact O-N 3.13Å
503P96.2Very high95.7Very high6 Ų627.7 Ų27.74%0.03916%0.162CC..  trans-55.1139.5177.7-17.424.3000111R186 A496 A505R186-P503 HydrophobicContact CB-CG 4.49Å; R186-P503 HydrophobicContact CG-CB 4.06Å; R186-P503 HydrophobicContact CG-CG 4.43Å; R186-P503 WeakPolarHBondContact CG-O 3.3Å; R186-P503 PolarHBondContact NE-O 2.88Å; A496-P503 WeakPolarHBondContact O-CA 3.47Å; P503-A505 VanDerWaalsContact C-N 3.32Å
504T97.1Very high95.7Very high45 Ų4529.3 Ų29.328%0.27617%0.166SC..  trans-76.3-26.1-175.559.30000112.5S495 A496 T502 A506S495-T504 WeakPolarHBondContact O-CB 3.13Å; S495-T504 WeakPolarHBondContact O-CG2 3.28Å; S495-T504 PolarHBondContact O-OG1 3.1Å; A496-T504 PolarHBondContact O-N 3.01Å; T502-T504 PolarHBondContact O-N 3.13Å; T504-A506 VanDerWaalsContact C-N 3.26Å; T504-A506 WeakPolarHBondContact OG1-CB 3.29Å; T504-A506 PolarHBondContact OG1-N 2.93Å
505A98.3Very high95.8Very high11 Ų1129.7 Ų29.79%0.09117%0.167CC..  trans65.619.9-163.700000114.3R182 A185 P503 L508R182-A505 HydrophobicContact CB-CB 4.16Å; R182-A505 HydrophobicContact CG-CB 4.06Å; A185-A505 HydrophobicContact CB-CB 3.56Å; P503-A505 VanDerWaalsContact C-N 3.32Å; A505-L508 WeakPolarHBondContact O-CB 3.12Å; A505-L508 PolarHBondContact O-N 3.22Å
506A98.5Very high95.8Very high4 Ų429.3 Ų29.33%0.03316%0.164CC..THydrogen-bonded Turntrans-56.5137.6173.200000110.9A298 D422 T504A298-A506 VanDerWaalsContact CB-O 3.3Å; A298-A506 WeakPolarHBondContact CB-O 3.36Å; D422-A506 WeakPolarHBondContact OD1-CB 3.38Å; T504-A506 VanDerWaalsContact C-N 3.26Å; T504-A506 WeakPolarHBondContact OG1-CB 3.29Å; T504-A506 PolarHBondContact OG1-N 2.93Å
507P98.6Very high95.9Very high1 Ų129.1 Ų29.11%0.00616%0.162CC..THydrogen-bonded Turncis-106.435.19.838.9-26.3000112I381 D422 V490 V492 L509 M510 F511I381-P507 HydrophobicContact CD1-CG 3.85Å; I381-P507 HydrophobicContact CG2-CG 3.82Å; D422-P507 WeakPolarHBondContact OD2-CA 3.32Å; V490-P507 HydrophobicContact CG1-CB 4.38Å; V490-P507 HydrophobicContact CG1-CG 3.95Å; V492-P507 HydrophobicContact CG1-CB 4.35Å; V492-P507 HydrophobicContact CG1-CG 4.06Å; P507-L509 VanDerWaalsContact C-N 3.27Å; P507-L509 PolarHBondContact O-N 3.04Å; P507-M510 HydrophobicContact CB-CB 4.35Å; P507-M510 HydrophobicContact CB-CE 3.5Å; P507-M510 VanDerWaalsContact CB-CE 3.5Å; P507-M510 HydrophobicContact CG-CE 4.44Å; P507-M510 PolarHBondContact O-N 2.72Å; P507-F511 HydrophobicContact CB-CD2 4.02Å; P507-F511 HydrophobicContact CB-CE2 4.2Å; P507-F511 HydrophobicContact CG-CD2 3.77Å; P507-F511 HydrophobicContact CG-CE2 3.72Å; P507-F511 WeakPolarHBondContact O-CD2 3.44Å; P507-F511 PolarHBondContact O-N 3.14Å
508L98.8Very high96.2Very high2 Ų231.6 Ų31.61%0.0118%0.175CC..Hα-helixtrans-54.7-43.4-172.9180162.1000111.9I178 R182 L302 D422 A505 F511 A512I178-L508 HydrophobicContact CG2-CD2 4.13Å; R182-L508 HydrophobicContact CG-CD1 4.2Å; R182-L508 HydrophobicContact CG-CD2 4.09Å; L302-L508 HydrophobicContact CB-CG 4.29Å; D422-L508 PolarHBondContact OD2-N 2.92Å; A505-L508 WeakPolarHBondContact O-CB 3.12Å; A505-L508 PolarHBondContact O-N 3.22Å; L508-F511 PolarHBondContact O-N 2.51Å; L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.42Å; L508-A512 PolarHBondContact O-N 3.13Å
509L98.8Very high96.5Very high7 Ų730.2 Ų30.24%0.03716%0.163CC..Hα-helixtrans-68.7-44.5-177.9-63.8-179.8000110.6L136 I178 I420 D422 P507 F511 A512 R513L136-L509 HydrophobicContact CD1-CD1 4.3Å; L136-L509 HydrophobicContact CD1-CD2 3.83Å; L136-L509 HydrophobicContact CD2-CD2 4.44Å; I178-L509 HydrophobicContact CG2-CD2 3.2Å; I420-L509 HydrophobicContact CD1-CB 4.13Å; I420-L509 HydrophobicContact CD1-CD2 4.23Å; I420-L509 HydrophobicContact CG1-CB 4.1Å; I420-L509 HydrophobicContact CG2-CB 3.76Å; D422-L509 HydrophobicContact CB-CB 3.72Å; D422-L509 HydrophobicContact CB-CD1 4.49Å; D422-L509 WeakPolarHBondContact OD2-CB 3.33Å; D422-L509 PolarHBondContact OD2-N 2.72Å; D422-L509 VanDerWaalsContact OD2-N 3.09Å; P507-L509 VanDerWaalsContact C-N 3.27Å; P507-L509 PolarHBondContact O-N 3.04Å; L509-F511 VanDerWaalsContact C-N 3.32Å; L509-F511 PolarHBondContact O-N 2.6Å; L509-A512 PolarHBondContact O-N 3.24Å; L509-R513 WeakPolarHBondContact O-CB 3.29Å; L509-R513 PolarHBondContact O-N 3.35Å
510M98.7Very high96.7Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-56.9-45.3176.4-178.8174.159.800111.4T396 V398 L413 D422 A424 V490 P507 R513 K514T396-M510 HydrophobicContact CG2-CE 4.25Å; V398-M510 HydrophobicContact CG1-CE 4.15Å; L413-M510 VanDerWaalsContact C-SD 3.54Å; L413-M510 HydrophobicContact CB-CE 4.34Å; L413-M510 HydrophobicContact CB-CG 4.36Å; L413-M510 HydrophobicContact CB-SD 3.78Å; L413-M510 HydrophobicContact CD2-CG 4.16Å; L413-M510 HydrophobicContact CD2-SD 4.45Å; L413-M510 VanDerWaalsContact O-CG 3.25Å; L413-M510 WeakPolarHBondContact O-CG 3.39Å; D422-M510 HydrophobicContact CB-CB 4.1Å; D422-M510 PolarHBondContact OD2-N 3.41Å; A424-M510 HydrophobicContact CB-CE 4.16Å; A424-M510 HydrophobicContact CB-SD 3.69Å; V490-M510 HydrophobicContact CG1-CE 4.49Å; P507-M510 HydrophobicContact CB-CB 4.35Å; P507-M510 HydrophobicContact CB-CE 3.5Å; P507-M510 VanDerWaalsContact CB-CE 3.5Å; P507-M510 HydrophobicContact CG-CE 4.44Å; P507-M510 PolarHBondContact O-N 2.72Å; M510-R513 PolarHBondContact O-N 2.77Å; M510-K514 WeakPolarHBondContact O-CB 3.29Å; M510-K514 PolarHBondContact O-N 3.22Å
511F98.8Very high96.6Very high2 Ų226.5 Ų26.51%0.00915%0.153CC..Hα-helixtrans-69.5-39.7176.8-86.2-106.1000112.7L266 L302 F379 I381 L413 V490 P507 L508 L509 K514 Y515L266-F511 HydrophobicContact CD2-CE1 3.99Å; L302-F511 HydrophobicContact CD1-CB 4.12Å; L302-F511 HydrophobicContact CD2-CB 3.69Å; L302-F511 HydrophobicContact CD2-CD1 4.1Å; L302-F511 HydrophobicContact CD2-CG 4.16Å; F379-F511 HydrophobicContact CB-CE1 4.33Å; F379-F511 HydrophobicContact CB-CZ 4.19Å; F379-F511 HydrophobicContact CD1-CE1 4.01Å; F379-F511 AromaticContact CD1-CZ 3.68Å; F379-F511 HydrophobicContact CD1-CZ 3.68Å; F379-F511 AromaticContact CD2-CE1 3.9Å; F379-F511 HydrophobicContact CD2-CE1 3.9Å; F379-F511 HydrophobicContact CD2-CZ 4.38Å; F379-F511 HydrophobicContact CE1-CE1 4.34Å; F379-F511 HydrophobicContact CE1-CZ 4.18Å; F379-F511 HydrophobicContact CE2-CE1 4.21Å; F379-F511 AromaticContact CG-CE1 3.79Å; F379-F511 HydrophobicContact CG-CE1 3.79Å; F379-F511 AromaticContact CG-CZ 3.81Å; F379-F511 HydrophobicContact CG-CZ 3.81Å; F379-F511 HydrophobicContact CZ-CE1 4.45Å; I381-F511 HydrophobicContact CD1-CD2 4.41Å; I381-F511 HydrophobicContact CD1-CE1 4.36Å; I381-F511 HydrophobicContact CD1-CE2 3.87Å; I381-F511 HydrophobicContact CD1-CZ 3.84Å; L413-F511 HydrophobicContact CD1-CE2 4.48Å; L413-F511 HydrophobicContact CD1-CZ 4.41Å; L413-F511 HydrophobicContact CD2-CD2 4.37Å; L413-F511 HydrophobicContact CD2-CE2 4.21Å; L413-F511 HydrophobicContact CD2-CZ 4.4Å; V490-F511 HydrophobicContact CG2-CE2 4.33Å; V490-F511 HydrophobicContact CG2-CZ 4.24Å; P507-F511 HydrophobicContact CB-CD2 4.02Å; P507-F511 HydrophobicContact CB-CE2 4.2Å; P507-F511 HydrophobicContact CG-CD2 3.77Å; P507-F511 HydrophobicContact CG-CE2 3.72Å; P507-F511 WeakPolarHBondContact O-CD2 3.44Å; P507-F511 PolarHBondContact O-N 3.14Å; L508-F511 PolarHBondContact O-N 2.51Å; L509-F511 VanDerWaalsContact C-N 3.32Å; L509-F511 PolarHBondContact O-N 2.6Å; F511-K514 PolarHBondContact O-N 3.12Å; F511-Y515 AromaticContact CD1-CD2 3.83Å; F511-Y515 HydrophobicContact CD1-CD2 3.83Å; F511-Y515 AromaticContact CD1-CE2 3.9Å; F511-Y515 HydrophobicContact CD1-CE2 3.9Å; F511-Y515 HydrophobicContact CE1-CD2 4.46Å; F511-Y515 HydrophobicContact CE1-CE2 4.09Å; F511-Y515 HydrophobicContact CG-CD2 4.45Å; F511-Y515 WeakPolarHBondContact O-CB 3.3Å; F511-Y515 PolarHBondContact O-N 3.36Å
512A98.6Very high96.3Very high0 Ų023.9 Ų23.90%014%0.135CC..Iπ-helixtrans-59.5-47.8174.600000110.6I178 L302 L508 L509 K514 I516 L517I178-A512 HydrophobicContact CD1-CB 4.44Å; I178-A512 HydrophobicContact CG1-CB 4.49Å; L302-A512 HydrophobicContact CD1-CB 4.39Å; L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.42Å; L508-A512 PolarHBondContact O-N 3.13Å; L509-A512 PolarHBondContact O-N 3.24Å; A512-K514 PolarHBondContact O-N 3.35Å; A512-I516 WeakPolarHBondContact O-CA 3.45Å; A512-I516 VanDerWaalsContact O-CB 3.29Å; A512-I516 WeakPolarHBondContact O-CB 3.38Å; A512-I516 PolarHBondContact O-N 3.16Å; A512-L517 WeakPolarHBondContact O-CG 3.4Å; A512-L517 PolarHBondContact O-N 3.38Å
513R98Very high95.1Very high17 Ų1730.3 Ų30.36%0.06416%0.159CC..Iπ-helixtrans-63-39.9178.1179.359.8-176.1112.8-21.5112.8S416 L419 I420 L509 M510 P518 K523S416-R513 WeakPolarHBondContact O-CG 3.4Å; L419-R513 HydrophobicContact CB-CG 4.3Å; I420-R513 HydrophobicContact CB-CB 4.28Å; I420-R513 HydrophobicContact CD1-CB 4.14Å; I420-R513 HydrophobicContact CG2-CB 3.85Å; I420-R513 HydrophobicContact CG2-CG 4.37Å; L509-R513 WeakPolarHBondContact O-CB 3.29Å; L509-R513 PolarHBondContact O-N 3.35Å; M510-R513 PolarHBondContact O-N 2.77Å; R513-P518 VanDerWaalsContact O-CD 3.25Å; R513-P518 WeakPolarHBondContact O-CD 3.46Å; R513-K523 PolarHBondContact NH2-OXT 2.96Å
514K97.9Very high95Very high53 Ų5331.5 Ų31.523%0.2317%0.165CC..Iπ-helixtrans-74.6-46.9-178.5-18058.7-169.1171.90113E412 L413 S416 M510 F511 A512E412-K514 HydrophobicContact CB-CD 4.18Å; E412-K514 IonicContact OE2-NZ 3.54Å; E412-K514 PolarHBondContact OE2-NZ 3.32Å; L413-K514 HydrophobicContact CD2-CB 4.23Å; L413-K514 HydrophobicContact CD2-CG 4.23Å; S416-K514 WeakPolarHBondContact OG-CB 2.8Å; S416-K514 WeakPolarHBondContact OG-CD 3.21Å; M510-K514 WeakPolarHBondContact O-CB 3.29Å; M510-K514 PolarHBondContact O-N 3.22Å; F511-K514 PolarHBondContact O-N 3.12Å; A512-K514 PolarHBondContact O-N 3.35Å
515Y97.9Very high94.9Very high12 Ų1230.8 Ų30.85%0.04716%0.16CC..Iπ-helixtrans-108.5-23.5-165.6-65.9-70.2000113.9T262 L264 F379 L413 F511 R519T262-Y515 HydrophobicContact CG2-CD1 4.49Å; L264-Y515 HydrophobicContact CD1-CD1 4.1Å; L264-Y515 HydrophobicContact CD1-CD2 3.94Å; L264-Y515 HydrophobicContact CD1-CE2 4.47Å; L264-Y515 HydrophobicContact CD1-CG 3.74Å; L264-Y515 HydrophobicContact CD2-CD1 3.94Å; L264-Y515 HydrophobicContact CD2-CE1 3.84Å; L264-Y515 HydrophobicContact CD2-CG 4.39Å; F379-Y515 HydrophobicContact CE2-CE2 4.43Å; F379-Y515 HydrophobicContact CZ-CE2 4.28Å; F379-Y515 WeakPolarHBondContact CZ-OH 3.43Å; L413-Y515 HydrophobicContact CD2-CE2 4.04Å; F511-Y515 AromaticContact CD1-CD2 3.83Å; F511-Y515 HydrophobicContact CD1-CD2 3.83Å; F511-Y515 AromaticContact CD1-CE2 3.9Å; F511-Y515 HydrophobicContact CD1-CE2 3.9Å; F511-Y515 HydrophobicContact CE1-CD2 4.46Å; F511-Y515 HydrophobicContact CE1-CE2 4.09Å; F511-Y515 HydrophobicContact CG-CD2 4.45Å; F511-Y515 WeakPolarHBondContact O-CB 3.3Å; F511-Y515 PolarHBondContact O-N 3.36Å; Y515-R519 VanDerWaalsContact O-CD 3.26Å; Y515-R519 WeakPolarHBondContact O-CD 3.32Å; Y515-R519 PolarHBondContact O-NH1 2.93Å
516I97.6Very high94.7Very high1 Ų131.9 Ų31.91%0.00516%0.163CC..Iπ-helixtrans-107.3-54.9-169.9-48.8-50000110.9L302 I306 L309 P311 I314 A512 R519 L520L302-I516 HydrophobicContact CD1-CG1 4.33Å; I306-I516 HydrophobicContact CD1-CD1 3.79Å; I306-I516 HydrophobicContact CD1-CG1 4.47Å; I306-I516 HydrophobicContact CG1-CD1 3.58Å; I306-I516 HydrophobicContact CG1-CG1 3.99Å; L309-I516 HydrophobicContact CB-CG2 4.48Å; L309-I516 HydrophobicContact CD1-CG2 4.04Å; P311-I516 HydrophobicContact CB-CG2 4.16Å; P311-I516 HydrophobicContact CG-CD1 4.11Å; P311-I516 HydrophobicContact CG-CG2 3.98Å; I314-I516 HydrophobicContact CD1-CD1 4.2Å; A512-I516 WeakPolarHBondContact O-CA 3.45Å; A512-I516 VanDerWaalsContact O-CB 3.29Å; A512-I516 WeakPolarHBondContact O-CB 3.38Å; A512-I516 PolarHBondContact O-N 3.16Å; I516-R519 WeakPolarHBondContact O-CB 3.45Å; I516-R519 PolarHBondContact O-N 3.26Å; I516-L520 HydrophobicContact CG2-CD1 4.24Å
517L97.2Very high94.5Very high0 Ų033.5 Ų33.50%017%0.171CC..G310 helixtrans-57.2-42.2-174.4-60.1-166.8000114.3L132 I174 I178 I420 A512 R519 L520 F522L132-L517 HydrophobicContact CD2-CD1 3.94Å; I174-L517 HydrophobicContact CD1-CD2 4.34Å; I174-L517 HydrophobicContact CG1-CD2 4.37Å; I174-L517 HydrophobicContact CG2-CD2 3.49Å; I174-L517 VanDerWaalsContact CG2-CD2 3.49Å; I178-L517 HydrophobicContact CD1-CD2 4.46Å; I420-L517 HydrophobicContact CD1-CD1 4.31Å; A512-L517 WeakPolarHBondContact O-CG 3.4Å; A512-L517 PolarHBondContact O-N 3.38Å; L517-R519 PolarHBondContact O-N 3.14Å; L517-L520 HydrophobicContact CD2-CD1 4.35Å; L517-L520 PolarHBondContact O-N 2.76Å; L517-F522 HydrophobicContact CB-CB 3.96Å; L517-F522 HydrophobicContact CB-CD1 3.85Å; L517-F522 HydrophobicContact CB-CG 4.1Å; L517-F522 HydrophobicContact CD1-CD1 3.79Å; L517-F522 HydrophobicContact CD1-CE1 3.89Å; L517-F522 HydrophobicContact CD1-CG 4.22Å; L517-F522 HydrophobicContact CD1-CZ 4.41Å; L517-F522 HydrophobicContact CG-CD1 4.39Å; L517-F522 WeakPolarHBondContact O-CB 3.41Å; L517-F522 PolarHBondContact O-N 2.72Å
518P95Very high94.3Very high67 Ų6735.6 Ų35.644%0.43518%0.181SC..G310 helixtrans-60.4-22.7177.5-25.336.2000113.6R513 L520R513-P518 VanDerWaalsContact O-CD 3.25Å; R513-P518 WeakPolarHBondContact O-CD 3.46Å; P518-L520 VanDerWaalsContact C-N 3.35Å
519R95Very high94Very high62 Ų6237.8 Ų37.823%0.23419%0.193CC..G310 helixtrans-85.6-9.1179.2-64.2173.1163.869.77.9113.3D261 T262 P311 D312 Y515 I516 L517D261-R519 IonicContact OD1-CZ 3.6Å; D261-R519 IonicContact OD1-NH2 3.87Å; D261-R519 PolarHBondContact OD1-NH2 3.28Å; D261-R519 IonicContact OD2-NH2 2.82Å; T262-R519 PolarHBondContact OG1-NH2 3.07Å; P311-R519 HydrophobicContact CB-CB 4Å; D312-R519 VanDerWaalsContact O-CD 3.23Å; D312-R519 WeakPolarHBondContact O-CD 3Å; Y515-R519 VanDerWaalsContact O-CD 3.26Å; Y515-R519 WeakPolarHBondContact O-CD 3.32Å; Y515-R519 PolarHBondContact O-NH1 2.93Å; I516-R519 WeakPolarHBondContact O-CB 3.45Å; I516-R519 PolarHBondContact O-N 3.26Å; L517-R519 PolarHBondContact O-N 3.14Å
520L94Very high93.6Very high43 Ų4340 Ų4023%0.22520%0.204CC..G310 helixtrans-10412.4177-55.8175.4000111.9I174 L309 P311 I516 L517 P518 F522I174-L520 HydrophobicContact CD1-CD1 4.33Å; I174-L520 HydrophobicContact CG1-CD1 4.08Å; L309-L520 HydrophobicContact CB-CD1 3.88Å; L309-L520 HydrophobicContact CD1-CD1 3.7Å; L309-L520 HydrophobicContact CD2-CD1 4.15Å; L309-L520 HydrophobicContact CG-CD1 4.11Å; P311-L520 HydrophobicContact CB-CD2 4.5Å; I516-L520 HydrophobicContact CG2-CD1 4.24Å; L517-L520 HydrophobicContact CD2-CD1 4.35Å; L517-L520 PolarHBondContact O-N 2.76Å; P518-L520 VanDerWaalsContact C-N 3.35Å; L520-F522 PolarHBondContact O-N 2.8Å; L520-F522 VanDerWaalsContact O-N 3.12Å
521S86.3Confident93.2Very high109 Ų10943.1 Ų43.176%0.76222%0.22SC*.THydrogen-bonded Turntrans5819.9-172.7-55.20000114K523S521-K523 PolarHBondContact O-N 2.83Å
522F87.2Confident92.7Very high19 Ų1946.5 Ų46.58%0.08324%0.237CC..  trans-70119.6166.2-177.4-85.8000107.8N128 L132 L171 I174 L517 L520N128-F522 HydrophobicContact CB-CE2 4.19Å; N128-F522 HydrophobicContact CB-CZ 4.19Å; L132-F522 HydrophobicContact CB-CZ 4.27Å; L132-F522 HydrophobicContact CD2-CE1 4.29Å; L132-F522 HydrophobicContact CD2-CE2 3.98Å; L132-F522 HydrophobicContact CD2-CZ 3.6Å; L171-F522 HydrophobicContact CD1-CD2 4.46Å; L171-F522 HydrophobicContact CD1-CE2 3.71Å; I174-F522 HydrophobicContact CD1-CB 4.06Å; I174-F522 HydrophobicContact CD1-CD2 3.76Å; I174-F522 HydrophobicContact CD1-CG 4.27Å; L517-F522 HydrophobicContact CB-CB 3.96Å; L517-F522 HydrophobicContact CB-CD1 3.85Å; L517-F522 HydrophobicContact CB-CG 4.1Å; L517-F522 HydrophobicContact CD1-CD1 3.79Å; L517-F522 HydrophobicContact CD1-CE1 3.89Å; L517-F522 HydrophobicContact CD1-CG 4.22Å; L517-F522 HydrophobicContact CD1-CZ 4.41Å; L517-F522 HydrophobicContact CG-CD1 4.39Å; L517-F522 WeakPolarHBondContact O-CB 3.41Å; L517-F522 PolarHBondContact O-N 2.72Å; L520-F522 PolarHBondContact O-N 2.8Å; L520-F522 VanDerWaalsContact O-N 3.12Å
523K68.2Low92.2Very high175 Ų17550.7 Ų50.776%0.76126%0.259SS*.  trans-870176.5-69.2-175.7176.9-179.30108.9R513 S521R513-K523 PolarHBondContact NH2-OXT 2.96Å; S521-K523 PolarHBondContact O-N 2.83Å

Retrieved 523 of 523 residues in 861.5 ms (Link to these results)

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