A0A3Q0KPC4_SCHMA Loading...

Exonuclease domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPC4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M35.5Very low46.8Very low233 Ų233138.3 Ų138.3100%1.14873%0.734SS**  0123.20-81.3169.8-177.700108.5
2K33.2Very low49.9Very low208 Ų208133.8 Ų133.890%0.90472%0.719SS**PPolyproline II helixtrans-63.6134.3167.8-77.3178.1174.3178.40107.6
3F32.1Very low53Low165 Ų165127.5 Ų127.572%0.72468%0.684SS**PPolyproline II helixtrans-53.4127.4173.1-65.4-87.8000108.6A5F3-A5 PolarHBondContact O-N 2.82Å; F3-A5 VanDerWaalsContact O-N 3.1Å
4P37.9Very low55.9Low110 Ų110127.6 Ų127.671%0.71468%0.676SS**PPolyproline II helixtrans-60.5117.8154.926.2-27.6000105.1L6P4-L6 PolarHBondContact O-N 3.12Å; P4-L6 VanDerWaalsContact O-N 3.14Å
5A39.1Very low58.5Low90 Ų90119.1 Ų119.174%0.74463%0.631SS**PPolyproline II helixtrans-54123.9163.400000105.6F3 G7F3-A5 PolarHBondContact O-N 2.82Å; F3-A5 VanDerWaalsContact O-N 3.1Å; A5-G7 PolarHBondContact O-N 3.02Å
6L50.1Low60.9Low65 Ų65112.5 Ų112.534%0.3460%0.597SS.*  trans-54.4112.9168.7-12684.1000105.4P4 K8 L121 W247 H251P4-L6 PolarHBondContact O-N 3.12Å; P4-L6 VanDerWaalsContact O-N 3.14Å; L6-K8 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact O-N 3.14Å; L6-L121 HydrophobicContact CD1-CD1 3.96Å; L6-W247 HydrophobicContact CD2-CH2 4.49Å; L6-H251 HydrophobicContact CD2-CB 3.55Å
7G44.8Very low63.1Low64 Ų64106.4 Ų106.466%0.6657%0.566SS**  trans-55.1123.3-17300000109A5 S9A5-G7 PolarHBondContact O-N 3.02Å; G7-S9 PolarHBondContact O-N 2.94Å
8K48.3Very low65.1Low211 Ų211100.5 Ų100.592%0.91753%0.534SS*.SBendtrans-59.7127.6172.1-76.2-179.7172.9-178.20109.2L6L6-K8 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact O-N 3.14Å
9S49.9Very low66.8Low121 Ų12195.2 Ų95.285%0.84651%0.506SS*.  trans7170.2167.2-165.80000116.8G7G7-S9 PolarHBondContact O-N 2.94Å
10S61.1Low68.4Low38 Ų3890.5 Ų90.527%0.26648%0.481SS..PPolyproline II helixtrans-73.8145.5139.945.90000108.7S250 Y252S10-S250 PolarHBondContact OG-O 3.34Å; S10-Y252 WeakPolarHBondContact OG-CE1 3.43Å
11R82.6Confident69.9Low216 Ų21686.1 Ų86.182%0.81546%0.458SS*.PPolyproline II helixtrans-61133.8169.5-179178178.9174.2-0.4107.4L13 Y252R11-L13 PolarHBondContact O-N 3Å; R11-Y252 PolarHBondContact O-OH 3.12Å; R11-Y252 VanDerWaalsContact O-OH 3.08Å
12P84.5Confident72.9Confident85 Ų8575.6 Ų75.655%0.55241%0.406SS*.PPolyproline II helixtrans-51.6129.7177.6-27.634.4000110.6Q249P12-Q249 WeakPolarHBondContact CA-O 3.14Å
13L89.8Confident76Confident51 Ų5166 Ų6627%0.26737%0.365SS..PPolyproline II helixtrans-99.5132.3176.5-177.364.1000108.8R11 L15 P112 I151 Q249 Y252R11-L13 PolarHBondContact O-N 3Å; L13-L15 HydrophobicContact CB-CD2 4.37Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-L15 VanDerWaalsContact O-N 3.13Å; L13-P112 HydrophobicContact CD1-CG 3.96Å; L13-P112 HydrophobicContact CD2-CB 3.87Å; L13-P112 HydrophobicContact CD2-CG 4.11Å; L13-P112 HydrophobicContact CG-CB 4.34Å; L13-P112 HydrophobicContact CG-CG 4.07Å; L13-I151 HydrophobicContact CD2-CD1 3.48Å; L13-I151 VanDerWaalsContact CD2-CD1 3.48Å; L13-I151 HydrophobicContact CD2-CG1 4.49Å; L13-Q249 PolarHBondContact N-O 2.86Å; L13-Q249 VanDerWaalsContact O-CB 3.23Å; L13-Q249 WeakPolarHBondContact O-CB 3.42Å; L13-Q249 WeakPolarHBondContact O-CG 3.39Å; L13-Y252 HydrophobicContact CB-CE1 3.82Å
14F93.4Very high79.2Confident130 Ų13058.8 Ų58.857%0.5733%0.333SS*.  trans-80.495.9173.7-162.3-102.4000108.3F48 P112F14-F48 HydrophobicContact CE1-CZ 4.05Å; F14-F48 HydrophobicContact CZ-CE1 4.39Å; F14-F48 HydrophobicContact CZ-CZ 4.33Å; F14-P112 VanDerWaalsContact O-CD 3.24Å; F14-P112 WeakPolarHBondContact O-CD 2.78Å; F14-P112 WeakPolarHBondContact O-CG 3.2Å
15L95.1Very high82.1Confident0 Ų054.1 Ų54.10%030%0.303CS..  trans-68.1155.2-178.4-57.7177.7000110L13 L18 R47 P112 C114 I151 L248 Q249L13-L15 HydrophobicContact CB-CD2 4.37Å; L13-L15 HydrophobicContact CD2-CD2 3.76Å; L13-L15 HydrophobicContact CG-CD2 4.02Å; L13-L15 PolarHBondContact O-N 2.91Å; L13-L15 VanDerWaalsContact O-N 3.13Å; L15-L18 HydrophobicContact CB-CD2 4.2Å; L15-L18 HydrophobicContact CD1-CD2 3.69Å; L15-R47 WeakPolarHBondContact O-CD 3.46Å; L15-R47 WeakPolarHBondContact O-CG 3.28Å; L15-R47 PolarHBondContact O-NE 3.45Å; L15-P112 HydrophobicContact CD2-CB 4.48Å; L15-C114 HydrophobicContact CD1-CB 3.89Å; L15-C114 HydrophobicContact CD2-CB 4.05Å; L15-I151 HydrophobicContact CD2-CD1 3.24Å; L15-I151 HydrophobicContact CD2-CG1 4.41Å; L15-L248 HydrophobicContact CD1-CB 4.2Å; L15-Q249 HydrophobicContact CD1-CG 4.08Å; L15-Q249 HydrophobicContact CG-CG 3.97Å
16S97.1Very high84.9Confident13 Ų1349.8 Ų49.89%0.09127%0.267CS..  trans-114.7-49.9171.9-62.90000110.1S46 R47 D110 S111 P112S16-S46 WeakPolarHBondContact O-CA 3.39Å; S16-R47 PolarHBondContact O-N 2.79Å; S16-D110 WeakPolarHBondContact CB-O 3.38Å; S16-S111 VanDerWaalsContact CB-O 3.32Å; S16-S111 WeakPolarHBondContact CB-O 3.19Å; S16-S111 PolarHBondContact OG-O 3.13Å; S16-P112 PolarHBondContact N-O 3.3Å
17T98.2Very high87.1Confident9 Ų947.1 Ų47.16%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-117.2130.8-178.5-53.50000111.4V19 A44 C45 L109 D110 P112 C114T17-V19 HydrophobicContact CG2-CG2 4.16Å; T17-A44 HydrophobicContact CG2-CB 4.02Å; T17-C45 WeakPolarHBondContact CG2-O 3.36Å; T17-L109 HydrophobicContact CG2-CB 4.08Å; T17-L109 HydrophobicContact CG2-CD1 4Å; T17-L109 HydrophobicContact CG2-CD2 4.25Å; T17-L109 HydrophobicContact CG2-CG 4.32Å; T17-D110 VanDerWaalsContact CB-O 3.32Å; T17-D110 WeakPolarHBondContact CB-O 3.25Å; T17-D110 PolarHBondContact OG1-N 3.2Å; T17-D110 PolarHBondContact OG1-O 2.95Å; T17-P112 PolarHBondContact N-O 3.41Å; T17-C114 PolarHBondContact O-N 2.93Å
18L98.3Very high89.5Confident0 Ų050.4 Ų50.40%026%0.257CS..EExtended strand (participates in β ladder)trans-102129.5169.6-54.5-176.5000108.5L15 L20 A44 C45 R47 L50 C114 I116 I245 L248L15-L18 HydrophobicContact CB-CD2 4.2Å; L15-L18 HydrophobicContact CD1-CD2 3.69Å; L18-L20 HydrophobicContact CB-CD1 4.16Å; L18-A44 WeakPolarHBondContact O-CA 3.22Å; L18-C45 PolarHBondContact N-O 3.01Å; L18-C45 PolarHBondContact O-N 2.7Å; L18-R47 HydrophobicContact CD1-CB 4.06Å; L18-R47 HydrophobicContact CD2-CB 4.38Å; L18-R47 HydrophobicContact CG-CB 3.97Å; L18-L50 HydrophobicContact CD1-CD1 3.89Å; L18-C114 HydrophobicContact CD2-CB 4.15Å; L18-I116 HydrophobicContact CB-CD1 3.82Å; L18-I116 HydrophobicContact CD1-CD1 3.98Å; L18-I116 HydrophobicContact CD2-CD1 4.1Å; L18-I116 HydrophobicContact CG-CD1 4.16Å; L18-I245 HydrophobicContact CD1-CD1 3.59Å; L18-L248 HydrophobicContact CD1-CD1 4.11Å
19V98.8Very high91.7Very high0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-117.8106178.7-176.10000108T17 F21 M42 L43 A44 L109 V113 C114 F115 I116T17-V19 HydrophobicContact CG2-CG2 4.16Å; V19-F21 PolarHBondContact O-N 3.12Å; V19-M42 HydrophobicContact CG1-CB 3.78Å; V19-M42 HydrophobicContact CG1-CE 3.88Å; V19-M42 HydrophobicContact CG1-CG 4.48Å; V19-L43 WeakPolarHBondContact CA-O 3.24Å; V19-A44 HydrophobicContact CG2-CB 3.88Å; V19-L109 HydrophobicContact CG2-CD1 3.5Å; V19-L109 VanDerWaalsContact CG2-CD1 3.5Å; V19-V113 HydrophobicContact CG2-CG1 3.55Å; V19-C114 PolarHBondContact N-O 2.9Å; V19-F115 HydrophobicContact CB-CD1 3.84Å; V19-F115 HydrophobicContact CB-CE1 4.16Å; V19-F115 HydrophobicContact CG1-CD1 4.11Å; V19-F115 HydrophobicContact CG1-CE1 4.09Å; V19-F115 HydrophobicContact CG2-CD1 4.4Å; V19-F115 HydrophobicContact CG2-CE1 4.46Å; V19-F115 CarbonylContact O-C 3.54Å; V19-F115 WeakPolarHBondContact O-CA 3.37Å; V19-I116 PolarHBondContact O-N 2.93Å
20L98.7Very high93.8Very high0 Ų040.8 Ų40.80%022%0.215CC..EExtended strand (participates in β ladder)trans-76.4128.2176.7-69.343000106.3L18 M42 L43 I116 C230 L234L18-L20 HydrophobicContact CB-CD1 4.16Å; L20-M42 CarbonylContact O-C 3.57Å; L20-M42 WeakPolarHBondContact O-CA 3.37Å; L20-L43 HydrophobicContact CB-CB 4.23Å; L20-L43 HydrophobicContact CD2-CD2 4.1Å; L20-L43 HydrophobicContact CD2-CG 4.49Å; L20-L43 PolarHBondContact N-O 2.89Å; L20-L43 PolarHBondContact O-N 2.8Å; L20-I116 CarbonylContact C-O 3.59Å; L20-I116 WeakPolarHBondContact CA-O 3.36Å; L20-I116 HydrophobicContact CD1-CB 4.41Å; L20-I116 HydrophobicContact CD1-CD1 4.13Å; L20-C230 VanDerWaalsContact C-SG 3.59Å; L20-C230 HydrophobicContact CB-CB 4.23Å; L20-C230 WeakPolarHBondContact CD2-O 3.23Å; L20-C230 PolarHBondContact O-SG 3.32Å; L20-C230 VanDerWaalsContact O-SG 3.38Å; L20-L234 HydrophobicContact CD2-CB 3.26Å; L20-L234 HydrophobicContact CD2-CD1 3.72Å; L20-L234 HydrophobicContact CD2-CG 3.85Å
21F98.8Very high95.2Very high0 Ų043.9 Ų43.90%024%0.243CC..EExtended strand (participates in β ladder)trans-130.3130.3-166.7-177.4-84.7000109.5V19 V23 L40 C41 M42 I116 A117 D124 F125 L128 M233V19-F21 PolarHBondContact O-N 3.12Å; F21-V23 HydrophobicContact CE1-CG1 3.59Å; F21-V23 HydrophobicContact CZ-CG1 3.58Å; F21-L40 HydrophobicContact CE2-CD1 3.85Å; F21-L40 HydrophobicContact CZ-CD1 4.38Å; F21-C41 WeakPolarHBondContact CA-O 3.48Å; F21-M42 HydrophobicContact CD2-CG 3.89Å; F21-M42 HydrophobicContact CE2-CG 4.13Å; F21-I116 PolarHBondContact N-O 2.93Å; F21-A117 HydrophobicContact CB-CB 4.41Å; F21-A117 HydrophobicContact CD1-CB 4.39Å; F21-A117 WeakPolarHBondContact O-CA 3.26Å; F21-A117 WeakPolarHBondContact O-CB 3.33Å; F21-D124 HydrophobicContact CD1-CB 3.89Å; F21-D124 HydrophobicContact CE1-CB 3.88Å; F21-F125 HydrophobicContact CB-CE1 4.4Å; F21-F125 HydrophobicContact CD1-CD1 4.38Å; F21-F125 HydrophobicContact CD1-CE1 4.21Å; F21-F125 HydrophobicContact CG-CE1 4.47Å; F21-L128 HydrophobicContact CE1-CD2 4.44Å; F21-L128 HydrophobicContact CE2-CD2 3.79Å; F21-L128 HydrophobicContact CZ-CB 4.23Å; F21-L128 HydrophobicContact CZ-CD1 4.28Å; F21-L128 HydrophobicContact CZ-CD2 3.69Å; F21-L128 HydrophobicContact CZ-CG 4.27Å; F21-M233 WeakPolarHBondContact O-CE 3.46Å
22D98.8Very high95.5Very high12 Ų1241.1 Ų41.16%0.06424%0.244CC..EExtended strand (participates in β ladder)trans-146.8151.2175.8-168.686.2000110.1L40 C41 A226 D229 M233D22-L40 WeakPolarHBondContact O-CA 3.46Å; D22-C41 PolarHBondContact N-O 2.85Å; D22-C41 PolarHBondContact O-N 3.31Å; D22-A226 HydrophobicContact CB-CB 4.41Å; D22-A226 WeakPolarHBondContact CB-O 3.42Å; D22-A226 WeakPolarHBondContact OD2-CA 3.49Å; D22-D229 HydrophobicContact CB-CB 4.26Å; D22-M233 HydrophobicContact CB-CE 4.4Å
23V98.7Very high95.9Very high6 Ų639.5 Ų39.54%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-132.7131.9175.4-710000112.7F21 T25 I37 E39 L40 F123 D124 L127F21-V23 HydrophobicContact CE1-CG1 3.59Å; F21-V23 HydrophobicContact CZ-CG1 3.58Å; V23-T25 HydrophobicContact CB-CG2 4.38Å; V23-T25 HydrophobicContact CG2-CG2 4.09Å; V23-I37 HydrophobicContact CB-CG1 4.49Å; V23-I37 HydrophobicContact CB-CG2 4.22Å; V23-I37 HydrophobicContact CG1-CD1 4.05Å; V23-I37 HydrophobicContact CG1-CG1 4.22Å; V23-I37 HydrophobicContact CG1-CG2 3.95Å; V23-E39 CarbonylContact C-O 3.5Å; V23-E39 VanDerWaalsContact CA-O 3.27Å; V23-E39 WeakPolarHBondContact CA-O 3.34Å; V23-L40 HydrophobicContact CG1-CB 3.77Å; V23-F123 HydrophobicContact CG2-CD1 4.44Å; V23-F123 HydrophobicContact CG2-CE1 4.17Å; V23-D124 HydrophobicContact CG2-CB 4.3Å; V23-D124 WeakPolarHBondContact CG2-OD1 3.47Å; V23-D124 PolarHBondContact N-OD1 3.07Å; V23-L127 HydrophobicContact CG2-CD2 4.2Å
24E98.7Very high96.2Very high13 Ų1339.4 Ų39.46%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-86.4148.3158.6-59.9-58.3151.700109.8T38 E39 S81 L83 H224 A226E24-T38 PolarHBondContact O-N 3Å; E24-T38 PolarHBondContact O-OG1 3.46Å; E24-T38 VanDerWaalsContact O-OG1 3.09Å; E24-E39 HydrophobicContact CB-CB 3.9Å; E24-E39 HydrophobicContact CG-CB 4.19Å; E24-E39 PolarHBondContact N-O 3.2Å; E24-E39 PolarHBondContact O-N 3.21Å; E24-S81 WeakPolarHBondContact OE2-CB 3.26Å; E24-L83 HydrophobicContact CB-CD1 4Å; E24-L83 HydrophobicContact CG-CD1 4.49Å; E24-H224 VanDerWaalsContact CD-O 3.26Å; E24-H224 WeakPolarHBondContact OE1-CA 3.49Å; E24-H224 VanDerWaalsContact OE1-O 3.07Å; E24-A226 HydrophobicContact CG-CB 4.48Å
25T98.4Very high96.3Very high12 Ų1233.2 Ų33.27%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-141.2164.2-171.169.30000112.6V23 G27 E36 T38 A77 F123 L127V23-T25 HydrophobicContact CB-CG2 4.38Å; V23-T25 HydrophobicContact CG2-CG2 4.09Å; T25-G27 PolarHBondContact O-N 2.95Å; T25-G27 VanDerWaalsContact O-N 3.13Å; T25-G27 PolarHBondContact OG1-N 2.96Å; T25-G27 PolarHBondContact OG1-O 3.35Å; T25-E36 CarbonylContact C-O 3.53Å; T25-E36 WeakPolarHBondContact CA-O 3.5Å; T25-E36 WeakPolarHBondContact CB-O 3.4Å; T25-T38 PolarHBondContact N-OG1 3Å; T25-A77 WeakPolarHBondContact O-CB 3.25Å; T25-F123 HydrophobicContact CG2-CE1 3.91Å; T25-F123 HydrophobicContact CG2-CZ 3.76Å; T25-L127 HydrophobicContact CG2-CD2 3.37Å
26T98.2Very high96.5Very high0 Ų034 Ų340%021%0.205CC..SBendtrans-58.5-18.6170.253.50000114.3F33 P35 E36 T38 P69 R71 I73 S74 A77T26-F33 WeakPolarHBondContact OG1-CZ 3.4Å; T26-P35 WeakPolarHBondContact OG1-CA 3.27Å; T26-E36 HydrophobicContact CG2-CB 4.07Å; T26-E36 PolarHBondContact N-O 2.95Å; T26-E36 PolarHBondContact OG1-N 2.88Å; T26-E36 PolarHBondContact OG1-O 3.44Å; T26-T38 HydrophobicContact CG2-CG2 4.01Å; T26-P69 HydrophobicContact CG2-CB 3.54Å; T26-P69 HydrophobicContact CG2-CG 3.64Å; T26-R71 HydrophobicContact CG2-CB 4.39Å; T26-I73 HydrophobicContact CG2-CG1 3.85Å; T26-S74 WeakPolarHBondContact O-CB 3.46Å; T26-S74 PolarHBondContact O-N 3.19Å; T26-S74 PolarHBondContact O-OG 3.37Å; T26-S74 VanDerWaalsContact O-OG 3.07Å; T26-A77 WeakPolarHBondContact O-CB 3.32Å
27G97.2Very high96.5Very high8 Ų833.5 Ų33.58%0.08220%0.201CC..SBendtrans159.9-171.8-179.800000113.5T25 P35T25-G27 PolarHBondContact O-N 2.95Å; T25-G27 VanDerWaalsContact O-N 3.13Å; T25-G27 PolarHBondContact OG1-N 2.96Å; T25-G27 PolarHBondContact OG1-O 3.35Å; G27-P35 WeakPolarHBondContact O-CB 3.19Å
28L95.6Very high96.6Very high133 Ų13333 Ų3370%0.69620%0.198SC*.  trans-87147.3176.2-66.1176.7000111.6F33 F123L28-F33 WeakPolarHBondContact O-CD1 3.41Å; L28-F123 HydrophobicContact CD2-CE2 3.92Å; L28-F123 HydrophobicContact CD2-CZ 4.34Å
29P94.3Very high96.6Very high60 Ų6034.2 Ų34.239%0.3920%0.204SC..  trans-63138.1176.127.4-35.6000111.4P35 M261P29-P35 HydrophobicContact CB-CG 4.33Å; P29-M261 HydrophobicContact CB-CG 4.38Å; P29-M261 HydrophobicContact CB-SD 3.86Å; P29-M261 HydrophobicContact CG-CE 4.28Å; P29-M261 HydrophobicContact CG-SD 4Å
30S92.6Very high96.6Very high70 Ų7034.2 Ų34.249%0.4920%0.204SC..BIsolated β-bridgetrans-142.4172.9171.876.40000110.1N32 F33S30-N32 PolarHBondContact O-N 3.28Å; S30-F33 PolarHBondContact N-O 3.24Å; S30-F33 PolarHBondContact O-N 3.28Å; S30-F33 VanDerWaalsContact O-N 3.1Å; S30-F33 VanDerWaalsContact O-O 3.05Å; S30-F33 VanDerWaalsContact OG-CB 3.28Å; S30-F33 WeakPolarHBondContact OG-CB 3.26Å; S30-F33 PolarHBondContact OG-N 3.46Å
31A90.4Very high96.6Very high103 Ų10334.2 Ų34.285%0.85120%0.204SC*.THydrogen-bonded Turntrans-53.8-31.3-178.200000113.8
32N90.6Very high96.6Very high159 Ų15934.2 Ų34.285%0.8520%0.204SC*.THydrogen-bonded Turntrans-113.99.1-177.2-60.7-34.4000113S30S30-N32 PolarHBondContact O-N 3.28Å
33F92.9Very high96.6Very high51 Ų5133.7 Ų33.722%0.22420%0.201CC..BIsolated β-bridgetrans-141.7118-175.3-172.5-99.4000111.4T26 L28 S30 P35T26-F33 WeakPolarHBondContact OG1-CZ 3.4Å; L28-F33 WeakPolarHBondContact O-CD1 3.41Å; S30-F33 PolarHBondContact N-O 3.24Å; S30-F33 PolarHBondContact O-N 3.28Å; S30-F33 VanDerWaalsContact O-N 3.1Å; S30-F33 VanDerWaalsContact O-O 3.05Å; S30-F33 VanDerWaalsContact OG-CB 3.28Å; S30-F33 WeakPolarHBondContact OG-CB 3.26Å; S30-F33 PolarHBondContact OG-N 3.46Å; F33-P35 HydrophobicContact CD1-CB 4.48Å; F33-P35 HydrophobicContact CE1-CB 3.91Å
34N94.7Very high96.6Very high48 Ų4833.4 Ų33.426%0.25720%0.199SC..  trans-102.5115.2171.7-69.8-21.3000107.5R71 Y262N34-R71 WeakPolarHBondContact O-CD 3.34Å; N34-R71 PolarHBondContact O-NE 3.45Å; N34-Y262 HydrophobicContact CB-CD1 3.47Å; N34-Y262 VanDerWaalsContact CB-CD1 3.47Å; N34-Y262 HydrophobicContact CB-CD2 4.09Å; N34-Y262 HydrophobicContact CB-CE1 3.69Å; N34-Y262 HydrophobicContact CB-CE2 4.28Å; N34-Y262 HydrophobicContact CB-CG 3.7Å; N34-Y262 WeakPolarHBondContact OD1-CB 2.99Å
35P97.1Very high96.5Very high0 Ų033 Ų330%020%0.198CC..  trans-73.6149.9-176.931-35.5000111.6T26 G27 P29 F33 L127 M261 Y262T26-P35 WeakPolarHBondContact OG1-CA 3.27Å; G27-P35 WeakPolarHBondContact O-CB 3.19Å; P29-P35 HydrophobicContact CB-CG 4.33Å; F33-P35 HydrophobicContact CD1-CB 4.48Å; F33-P35 HydrophobicContact CE1-CB 3.91Å; P35-L127 HydrophobicContact CG-CD1 4.3Å; P35-L127 VanDerWaalsContact O-CD1 3.22Å; P35-L127 WeakPolarHBondContact O-CD1 3.42Å; P35-M261 HydrophobicContact CG-SD 3.6Å; P35-Y262 WeakPolarHBondContact O-CE1 3.04Å; P35-Y262 PolarHBondContact O-OH 3.44Å
36E97.6Very high96.5Very high17 Ų1734.2 Ų34.28%0.07921%0.207CC..  trans-109.4149.3169.4-68.7170.5-170.600111.4T25 T26 P69 T70 R71T25-E36 CarbonylContact C-O 3.53Å; T25-E36 WeakPolarHBondContact CA-O 3.5Å; T25-E36 WeakPolarHBondContact CB-O 3.4Å; T26-E36 HydrophobicContact CG2-CB 4.07Å; T26-E36 PolarHBondContact N-O 2.95Å; T26-E36 PolarHBondContact OG1-N 2.88Å; T26-E36 PolarHBondContact OG1-O 3.44Å; E36-P69 HydrophobicContact CB-CB 3.93Å; E36-T70 VanDerWaalsContact CD-OG1 3.3Å; E36-T70 PolarHBondContact OE1-OG1 3.41Å; E36-T70 WeakPolarHBondContact OE2-CA 3.09Å; E36-T70 PolarHBondContact OE2-N 2.91Å; E36-T70 PolarHBondContact OE2-OG1 3.28Å; E36-R71 HydrophobicContact CG-CG 4.39Å; E36-R71 VanDerWaalsContact OE1-CD 3.23Å; E36-R71 WeakPolarHBondContact OE1-CD 3.44Å; E36-R71 VanDerWaalsContact OE1-CG 3.29Å; E36-R71 WeakPolarHBondContact OE1-CG 3.35Å; E36-R71 IonicContact OE1-NE 2.76Å; E36-R71 PolarHBondContact OE1-NE 2.98Å; E36-R71 PolarHBondContact OE2-N 3.13Å
37I98.4Very high96.3Very high2 Ų234.7 Ų34.71%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-71.4131.5177.3-59172.8000108.5V23 E39 L40 F67 F94 L127 L128 Q131V23-I37 HydrophobicContact CB-CG1 4.49Å; V23-I37 HydrophobicContact CB-CG2 4.22Å; V23-I37 HydrophobicContact CG1-CD1 4.05Å; V23-I37 HydrophobicContact CG1-CG1 4.22Å; V23-I37 HydrophobicContact CG1-CG2 3.95Å; I37-E39 VanDerWaalsContact CG2-O 3.25Å; I37-E39 WeakPolarHBondContact CG2-O 3.46Å; I37-L40 HydrophobicContact CG2-CB 4.3Å; I37-F67 HydrophobicContact CB-CD2 4.26Å; I37-F67 HydrophobicContact CB-CE2 4.45Å; I37-F67 HydrophobicContact CG2-CD2 3.73Å; I37-F67 HydrophobicContact CG2-CE2 3.74Å; I37-F94 HydrophobicContact CD1-CD2 4.11Å; I37-F94 HydrophobicContact CD1-CE2 3.9Å; I37-L127 HydrophobicContact CD1-CG 4.34Å; I37-L127 HydrophobicContact CG1-CD2 3.82Å; I37-L127 HydrophobicContact CG1-CG 3.91Å; I37-L128 HydrophobicContact CD1-CD1 4.34Å; I37-Q131 HydrophobicContact CD1-CB 4.28Å; I37-Q131 HydrophobicContact CD1-CG 3.82Å; I37-Q131 HydrophobicContact CG1-CG 4.03Å
38T98.7Very high96.1Very high0 Ų039.5 Ų39.50%023%0.228CC..EExtended strand (participates in β ladder)trans-108.4-27.2174.250.90000112.3E24 T25 T26 C66 F67 P69 I73 L88E24-T38 PolarHBondContact O-N 3Å; E24-T38 PolarHBondContact O-OG1 3.46Å; E24-T38 VanDerWaalsContact O-OG1 3.09Å; T25-T38 PolarHBondContact N-OG1 3Å; T26-T38 HydrophobicContact CG2-CG2 4.01Å; T38-C66 CarbonylContact O-C 3.57Å; T38-C66 WeakPolarHBondContact O-CA 3.44Å; T38-F67 PolarHBondContact O-N 2.83Å; T38-P69 HydrophobicContact CG2-CB 4.43Å; T38-P69 HydrophobicContact CG2-CG 3.88Å; T38-I73 HydrophobicContact CG2-CD1 3.94Å; T38-I73 HydrophobicContact CG2-CG1 4.02Å; T38-L88 HydrophobicContact CG2-CD1 4.05Å
39E98.8Very high96Very high25 Ų2535 Ų3512%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-146.1141.1170.8-170.8-178.4-147.600108.1V23 E24 I37 T64 L65 L83 A226V23-E39 CarbonylContact C-O 3.5Å; V23-E39 VanDerWaalsContact CA-O 3.27Å; V23-E39 WeakPolarHBondContact CA-O 3.34Å; E24-E39 HydrophobicContact CB-CB 3.9Å; E24-E39 HydrophobicContact CG-CB 4.19Å; E24-E39 PolarHBondContact N-O 3.2Å; E24-E39 PolarHBondContact O-N 3.21Å; I37-E39 VanDerWaalsContact CG2-O 3.25Å; I37-E39 WeakPolarHBondContact CG2-O 3.46Å; E39-T64 HydrophobicContact CG-CG2 4.28Å; E39-L65 CarbonylContact C-O 3.51Å; E39-L65 VanDerWaalsContact CA-O 3.27Å; E39-L65 WeakPolarHBondContact CA-O 3.46Å; E39-L83 HydrophobicContact CB-CD1 3.81Å; E39-A226 HydrophobicContact CB-CB 4.32Å; E39-A226 HydrophobicContact CG-CB 3.81Å; E39-A226 PolarHBondContact OE2-N 2.97Å
40L98.7Very high95.9Very high0 Ų032.2 Ų32.20%019%0.189CC..EExtended strand (participates in β ladder)trans-123.5152.7160.685.8147.5000110.5F21 D22 V23 I37 M42 T64 L65 F67 I102F21-L40 HydrophobicContact CE2-CD1 3.85Å; F21-L40 HydrophobicContact CZ-CD1 4.38Å; D22-L40 WeakPolarHBondContact O-CA 3.46Å; V23-L40 HydrophobicContact CG1-CB 3.77Å; I37-L40 HydrophobicContact CG2-CB 4.3Å; L40-M42 HydrophobicContact CD1-CG 3.93Å; L40-M42 HydrophobicContact CD1-SD 4.16Å; L40-T64 VanDerWaalsContact O-CA 3.29Å; L40-T64 WeakPolarHBondContact O-CA 3.46Å; L40-L65 HydrophobicContact CD2-CB 3.67Å; L40-L65 HydrophobicContact CD2-CD1 3.93Å; L40-L65 HydrophobicContact CD2-CG 4.05Å; L40-L65 PolarHBondContact N-O 2.74Å; L40-L65 PolarHBondContact O-N 3.29Å; L40-F67 HydrophobicContact CD2-CD2 4.47Å; L40-F67 HydrophobicContact CD2-CE2 3.18Å; L40-F67 HydrophobicContact CD2-CZ 3.23Å; L40-F67 HydrophobicContact CG-CE2 4.43Å; L40-I102 HydrophobicContact CD1-CD1 4.05Å; L40-I102 HydrophobicContact CD1-CG1 4.4Å
41C98.9Very high95.7Very high0 Ų030.6 Ų30.60%017%0.174CC..EExtended strand (participates in β ladder)trans-128.6137.8165.9179.90000110.5F21 D22 L63 A226 E227F21-C41 WeakPolarHBondContact CA-O 3.48Å; D22-C41 PolarHBondContact N-O 2.85Å; D22-C41 PolarHBondContact O-N 3.31Å; C41-L63 CarbonylContact C-O 3.49Å; C41-L63 WeakPolarHBondContact CA-O 3.37Å; C41-A226 HydrophobicContact CB-CB 3.61Å; C41-A226 WeakPolarHBondContact CB-O 3.37Å; C41-E227 HydrophobicContact CB-CB 4.49Å
42M98.9Very high95.1Very high0 Ų032.2 Ų32.20%017%0.168CC..EExtended strand (participates in β ladder)trans-123.2108167.9-54.6-177.367.400107.9V19 L20 F21 L40 K62 L63 I102 F105 L106 F115V19-M42 HydrophobicContact CG1-CB 3.78Å; V19-M42 HydrophobicContact CG1-CE 3.88Å; V19-M42 HydrophobicContact CG1-CG 4.48Å; L20-M42 CarbonylContact O-C 3.57Å; L20-M42 WeakPolarHBondContact O-CA 3.37Å; F21-M42 HydrophobicContact CD2-CG 3.89Å; F21-M42 HydrophobicContact CE2-CG 4.13Å; L40-M42 HydrophobicContact CD1-CG 3.93Å; L40-M42 HydrophobicContact CD1-SD 4.16Å; M42-K62 WeakPolarHBondContact O-CA 3.35Å; M42-L63 HydrophobicContact CB-CB 4.26Å; M42-L63 PolarHBondContact N-O 3.34Å; M42-L63 PolarHBondContact O-N 3.05Å; M42-L63 HydrophobicContact SD-CD2 4Å; M42-I102 HydrophobicContact CE-CG2 4.23Å; M42-I102 HydrophobicContact SD-CG1 4.15Å; M42-I102 HydrophobicContact SD-CG2 3.95Å; M42-F105 HydrophobicContact CB-CD1 4.44Å; M42-F105 HydrophobicContact CB-CE1 3.85Å; M42-F105 HydrophobicContact CB-CZ 4.28Å; M42-F105 HydrophobicContact CE-CD1 3.95Å; M42-F105 HydrophobicContact CE-CE1 4.13Å; M42-F105 HydrophobicContact SD-CD1 4.18Å; M42-F105 HydrophobicContact SD-CE1 4.48Å; M42-L106 HydrophobicContact CE-CD2 3.86Å; M42-L106 HydrophobicContact CE-CG 4.41Å; M42-F115 HydrophobicContact CE-CD1 4.49Å; M42-F115 HydrophobicContact CE-CE1 3.38Å; M42-F115 HydrophobicContact CE-CZ 3.46Å; M42-F115 VanDerWaalsContact CE-CZ 3.46Å
43L98.7Very high94.4Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-108102.6178173.363.3000109.4V19 L20 E60 C230 R231 L234V19-L43 WeakPolarHBondContact CA-O 3.24Å; L20-L43 HydrophobicContact CB-CB 4.23Å; L20-L43 HydrophobicContact CD2-CD2 4.1Å; L20-L43 HydrophobicContact CD2-CG 4.49Å; L20-L43 PolarHBondContact N-O 2.89Å; L20-L43 PolarHBondContact O-N 2.8Å; L43-E60 HydrophobicContact CD1-CB 4.25Å; L43-C230 HydrophobicContact CB-CB 4.08Å; L43-C230 HydrophobicContact CD2-CB 4.18Å; L43-R231 HydrophobicContact CD2-CG 4.47Å; L43-R231 VanDerWaalsContact CD2-NH1 3.29Å; L43-L234 HydrophobicContact CD2-CB 4.47Å; L43-L234 HydrophobicContact CD2-CD1 3.94Å; L43-L234 HydrophobicContact CG-CD1 4.45Å
44A98.6Very high93.8Very high1 Ų131 Ų311%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-99128.4-175.200000111.8T17 L18 V19 E60 N61 F105 L109T17-A44 HydrophobicContact CG2-CB 4.02Å; L18-A44 WeakPolarHBondContact O-CA 3.22Å; V19-A44 HydrophobicContact CG2-CB 3.88Å; A44-E60 CarbonylContact O-C 3.49Å; A44-E60 VanDerWaalsContact O-CA 3.3Å; A44-E60 WeakPolarHBondContact O-CA 3.32Å; A44-N61 HydrophobicContact CB-CB 4.28Å; A44-N61 PolarHBondContact N-O 3.4Å; A44-N61 PolarHBondContact O-N 3.3Å; A44-F105 HydrophobicContact CB-CE1 4.11Å; A44-F105 HydrophobicContact CB-CZ 3.85Å; A44-L109 HydrophobicContact CB-CD1 3.89Å; A44-L109 HydrophobicContact CB-CD2 3.66Å; A44-L109 HydrophobicContact CB-CG 4.44Å
45C97.6Very high93.6Very high4 Ų432 Ų323%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-138.9159171.664.50000110.5T17 L18 P57 E60T17-C45 WeakPolarHBondContact CG2-O 3.36Å; L18-C45 PolarHBondContact N-O 3.01Å; L18-C45 PolarHBondContact O-N 2.7Å; C45-P57 HydrophobicContact CB-CB 4.24Å; C45-P57 HydrophobicContact CB-CG 4.21Å; C45-E60 HydrophobicContact CB-CG 4.42Å
46S96.9Very high93.3Very high37 Ų3736 Ų3626%0.25921%0.208SC..EExtended strand (participates in β ladder)trans-69.8139.4174.2-179.40000110.3S16 F48 S49S16-S46 WeakPolarHBondContact O-CA 3.39Å; S46-F48 PolarHBondContact O-N 2.5Å; S46-F48 WeakPolarHBondContact OG-CD2 3.24Å; S46-F48 PolarHBondContact OG-N 3.42Å; S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 2.99Å
47R95Very high93.1Very high10 Ų1035.9 Ų35.94%0.03821%0.208CC..G310 helixtrans-57.5-34175.370.8160.6-176.9114.132.6112.4L15 S16 L18 S49 L50 E51 I245L15-R47 WeakPolarHBondContact O-CD 3.46Å; L15-R47 WeakPolarHBondContact O-CG 3.28Å; L15-R47 PolarHBondContact O-NE 3.45Å; S16-R47 PolarHBondContact O-N 2.79Å; L18-R47 HydrophobicContact CD1-CB 4.06Å; L18-R47 HydrophobicContact CD2-CB 4.38Å; L18-R47 HydrophobicContact CG-CB 3.97Å; R47-S49 PolarHBondContact O-N 3.36Å; R47-L50 PolarHBondContact O-N 3.12Å; R47-E51 IonicContact CZ-OE1 2.69Å; R47-E51 IonicContact NE-OE1 2.78Å; R47-E51 IonicContact NH1-OE1 3.17Å; R47-E51 PolarHBondContact NH1-OE1 3.46Å; R47-E51 IonicContact NH2-OE1 3.45Å; R47-E51 PolarHBondContact O-N 3.08Å; R47-I245 HydrophobicContact CB-CG2 4.36Å
48F93.5Very high92.9Very high110 Ų11046.3 Ų46.348%0.48225%0.247SC..G310 helixtrans-61.9-26.6179.4-58.8-70.9000111.8F14 S46 L50F14-F48 HydrophobicContact CE1-CZ 4.05Å; F14-F48 HydrophobicContact CZ-CE1 4.39Å; F14-F48 HydrophobicContact CZ-CZ 4.33Å; S46-F48 PolarHBondContact O-N 2.5Å; S46-F48 WeakPolarHBondContact OG-CD2 3.24Å; S46-F48 PolarHBondContact OG-N 3.42Å; F48-L50 PolarHBondContact O-N 3.45Å
49S93.1Very high92.8Very high39 Ų3951.7 Ų51.727%0.27328%0.28SS..G310 helixtrans-76.3-7.6176.3-53.90000113.5S46 R47 A53S46-S49 WeakPolarHBondContact O-CB 3.35Å; S46-S49 PolarHBondContact O-N 2.99Å; R47-S49 PolarHBondContact O-N 3.36Å; S49-A53 WeakPolarHBondContact O-CB 3.43Å
50L92.7Very high92.8Very high0 Ų052.9 Ų52.90%029%0.285CS..THydrogen-bonded Turntrans-112.8-23.3178.8-58.3-170.7000113.7L18 R47 F48 N52 P57 L234 V237 Q238 I245L18-L50 HydrophobicContact CD1-CD1 3.89Å; R47-L50 PolarHBondContact O-N 3.12Å; F48-L50 PolarHBondContact O-N 3.45Å; L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.5Å; L50-P57 HydrophobicContact CD2-CG 3.53Å; L50-L234 HydrophobicContact CD2-CG 4.31Å; L50-V237 HydrophobicContact CD1-CG1 3.89Å; L50-Q238 HydrophobicContact CD2-CB 4.16Å; L50-Q238 HydrophobicContact CD2-CG 4.47Å; L50-I245 HydrophobicContact CB-CD1 4.01Å
51E87.1Confident92.7Very high36 Ų3656.9 Ų56.917%0.16831%0.307CS..THydrogen-bonded Turntrans-58.1-36.3-172.3-76.7172.1170.700114.3R47 S242 I245R47-E51 IonicContact CZ-OE1 2.69Å; R47-E51 IonicContact NE-OE1 2.78Å; R47-E51 IonicContact NH1-OE1 3.17Å; R47-E51 PolarHBondContact NH1-OE1 3.46Å; R47-E51 IonicContact NH2-OE1 3.45Å; R47-E51 PolarHBondContact O-N 3.08Å; E51-S242 PolarHBondContact O-N 3.07Å; E51-S242 PolarHBondContact O-OG 2.59Å; E51-I245 HydrophobicContact CG-CB 4.16Å; E51-I245 HydrophobicContact CG-CG1 3.81Å; E51-I245 HydrophobicContact CG-CG2 4.05Å
52N78.3Confident92.7Very high138 Ų13861.1 Ų61.174%0.73833%0.325SS*.THydrogen-bonded Turntrans-145.524.4-174.3-63.8-65.6000112.8L50L50-N52 VanDerWaalsContact C-N 3.3Å; L50-N52 PolarHBondContact O-N 3.5Å
53A76.6Confident92.7Very high34 Ų3462 Ų6228%0.28133%0.33SS..  trans-90.2132.9-170.100000112.3S49 Q238S49-A53 WeakPolarHBondContact O-CB 3.43Å; A53-Q238 PolarHBondContact O-NE2 3.26Å
54T80.1Confident92.7Very high151 Ų15164.3 Ų64.393%0.92634%0.344SS*.SBendtrans-89.6-11.7175.953.30000113.6
55A89.8Confident92.7Very high67 Ų6766.2 Ų66.255%0.55435%0.354SS*.SBendtrans-136.9151.3-179.800000109.9Q238A55-Q238 PolarHBondContact O-NE2 3.49Å
56E91.5Very high92.8Very high86 Ų8668 Ų6840%0.40237%0.366SS..  trans-54.5145.6179.5-67.2-174.6-159.700111.8R58 L234 R235E56-R58 PolarHBondContact O-N 3.07Å; E56-L234 HydrophobicContact CB-CD2 4.19Å; E56-L234 HydrophobicContact CG-CD2 3.83Å; E56-R235 HydrophobicContact CG-CG 4.31Å; E56-R235 WeakPolarHBondContact OE1-CD 3.31Å; E56-R235 VanDerWaalsContact OE1-CG 3.26Å; E56-R235 WeakPolarHBondContact OE1-CG 3.39Å; E56-R235 IonicContact OE1-NE 2.7Å
57P93.7Very high92.8Very high13 Ų1366.5 Ų66.58%0.08436%0.355CS..  trans-56128.6179.9-25.835.4000112.5C45 L50 E60 L234C45-P57 HydrophobicContact CB-CB 4.24Å; C45-P57 HydrophobicContact CB-CG 4.21Å; L50-P57 HydrophobicContact CD2-CG 3.53Å; P57-E60 HydrophobicContact CB-CG 4.07Å; P57-E60 WeakPolarHBondContact O-CG 3.45Å; P57-L234 HydrophobicContact CG-CD1 4.39Å
58R94.4Very high92.9Very high221 Ų22167 Ų6783%0.83436%0.358SS*.SBendtrans-74.9-30.7171.6177.256.8-174.184.8-1.8112.5E56E56-R58 PolarHBondContact O-N 3.07Å
59V96.5Very high93Very high113 Ų11362.4 Ų62.469%0.68534%0.34SS*.SBendtrans-97.8106.4-177.3-178.30000108.6
60E97.5Very high93Very high50 Ų5065.4 Ų65.423%0.23436%0.356CS..EExtended strand (participates in β ladder)trans-142.2149.2-177.1-57.5-179.4147.700109.9L43 A44 C45 P57 R231L43-E60 HydrophobicContact CD1-CB 4.25Å; A44-E60 CarbonylContact O-C 3.49Å; A44-E60 VanDerWaalsContact O-CA 3.3Å; A44-E60 WeakPolarHBondContact O-CA 3.32Å; C45-E60 HydrophobicContact CB-CG 4.42Å; P57-E60 HydrophobicContact CB-CG 4.07Å; P57-E60 WeakPolarHBondContact O-CG 3.45Å; E60-R231 IonicContact OE1-CZ 3.32Å; E60-R231 IonicContact OE1-NH1 3.99Å; E60-R231 PolarHBondContact OE1-NH1 2.89Å; E60-R231 IonicContact OE2-CZ 2.98Å; E60-R231 IonicContact OE2-NH1 3.69Å; E60-R231 PolarHBondContact OE2-NH1 2.64Å; E60-R231 IonicContact OE2-NH2 3.94Å; E60-R231 PolarHBondContact OE2-NH2 3.06Å
61N98.4Very high93Very high85 Ų8569.4 Ų69.446%0.45537%0.372SS..EExtended strand (participates in β ladder)trans-113137.5164.3-63-65.3000108.2A44 F105 L109A44-N61 HydrophobicContact CB-CB 4.28Å; A44-N61 PolarHBondContact N-O 3.4Å; A44-N61 PolarHBondContact O-N 3.3Å; N61-F105 HydrophobicContact CB-CE2 3.85Å; N61-F105 HydrophobicContact CB-CZ 4.05Å; N61-L109 HydrophobicContact CB-CD2 4.26Å
62K98.5Very high93.3Very high88 Ų8873.3 Ų73.338%0.38340%0.398SS..EExtended strand (participates in β ladder)trans-129.8137.7-179.9-166.9-166.2-63166.20111M42 E227M42-K62 WeakPolarHBondContact O-CA 3.35Å; K62-E227 HydrophobicContact CD-CG 4.38Å; K62-E227 WeakPolarHBondContact CD-OE2 3.37Å; K62-E227 WeakPolarHBondContact CE-OE1 3.25Å; K62-E227 WeakPolarHBondContact CE-OE2 3.42Å; K62-E227 IonicContact NZ-OE1 3.76Å; K62-E227 PolarHBondContact NZ-OE1 3.35Å; K62-E227 IonicContact NZ-OE2 2.66Å; K62-E227 PolarHBondContact NZ-OE2 3.04Å
63L98.7Very high94.2Very high18 Ų1867.5 Ų67.59%0.09437%0.366CS..EExtended strand (participates in β ladder)trans-126116.8166.316959.7000109C41 M42 L65 L101 I102 F105C41-L63 CarbonylContact C-O 3.49Å; C41-L63 WeakPolarHBondContact CA-O 3.37Å; M42-L63 HydrophobicContact CB-CB 4.26Å; M42-L63 PolarHBondContact N-O 3.34Å; M42-L63 PolarHBondContact O-N 3.05Å; M42-L63 HydrophobicContact SD-CD2 4Å; L63-L65 HydrophobicContact CD1-CD1 4.18Å; L63-L65 HydrophobicContact CD1-CD2 3.7Å; L63-L65 HydrophobicContact CD1-CG 3.73Å; L63-L65 HydrophobicContact CG-CG 4.3Å; L63-L101 HydrophobicContact CD1-CD2 3.24Å; L63-L101 HydrophobicContact CD2-CD2 3.49Å; L63-L101 VanDerWaalsContact CD2-CD2 3.49Å; L63-L101 HydrophobicContact CG-CD2 3.98Å; L63-I102 HydrophobicContact CD2-CG1 4.16Å; L63-F105 HydrophobicContact CB-CD2 3.72Å; L63-F105 HydrophobicContact CB-CE2 3.8Å; L63-F105 HydrophobicContact CB-CG 4.09Å; L63-F105 HydrophobicContact CB-CZ 4.24Å; L63-F105 HydrophobicContact CD2-CB 4.01Å; L63-F105 HydrophobicContact CD2-CD2 4.48Å; L63-F105 HydrophobicContact CD2-CG 4.14Å
64T98.6Very high95.2Very high49 Ų4968 Ų6830%0.30137%0.368SS..EExtended strand (participates in β ladder)trans-124.4125.6173.3-53.50000108.5E39 L40E39-T64 HydrophobicContact CG-CG2 4.28Å; L40-T64 VanDerWaalsContact O-CA 3.29Å; L40-T64 WeakPolarHBondContact O-CA 3.46Å
65L98.5Very high96Very high42 Ų4265.7 Ų65.722%0.2236%0.358CS..EExtended strand (participates in β ladder)trans-129.5136.9177.6-51.6172.1000109.5E39 L40 L63 F67 L101E39-L65 CarbonylContact C-O 3.51Å; E39-L65 VanDerWaalsContact CA-O 3.27Å; E39-L65 WeakPolarHBondContact CA-O 3.46Å; L40-L65 HydrophobicContact CD2-CB 3.67Å; L40-L65 HydrophobicContact CD2-CD1 3.93Å; L40-L65 HydrophobicContact CD2-CG 4.05Å; L40-L65 PolarHBondContact N-O 2.74Å; L40-L65 PolarHBondContact O-N 3.29Å; L63-L65 HydrophobicContact CD1-CD1 4.18Å; L63-L65 HydrophobicContact CD1-CD2 3.7Å; L63-L65 HydrophobicContact CD1-CG 3.73Å; L63-L65 HydrophobicContact CG-CG 4.3Å; L65-F67 HydrophobicContact CB-CE1 4.25Å; L65-F67 HydrophobicContact CB-CE2 4.27Å; L65-F67 HydrophobicContact CB-CZ 3.85Å; L65-F67 HydrophobicContact CD1-CE1 4.35Å; L65-F67 HydrophobicContact CD1-CZ 4.05Å; L65-L101 HydrophobicContact CD1-CD2 3.87Å; L65-L101 HydrophobicContact CD2-CD2 4.2Å; L65-L101 HydrophobicContact CG-CD2 4.46Å
66C98.6Very high96.3Very high40 Ų4068.3 Ų68.327%0.2736%0.362SS..EExtended strand (participates in β ladder)trans-96.7148.2165.9-69.90000109.8T38 L88 Q91T38-C66 CarbonylContact O-C 3.57Å; T38-C66 WeakPolarHBondContact O-CA 3.44Å; C66-L88 HydrophobicContact CB-CD2 3.79Å; C66-Q91 HydrophobicContact CB-CG 3.9Å
67F98.1Very high96.6Very high6 Ų664.5 Ų64.53%0.02634%0.344CS..  trans-128.1144.6177.2-52.8-79.1000111.8I37 T38 L40 L65 P69 L88 K92 F94 A98I37-F67 HydrophobicContact CB-CD2 4.26Å; I37-F67 HydrophobicContact CB-CE2 4.45Å; I37-F67 HydrophobicContact CG2-CD2 3.73Å; I37-F67 HydrophobicContact CG2-CE2 3.74Å; T38-F67 PolarHBondContact O-N 2.83Å; L40-F67 HydrophobicContact CD2-CD2 4.47Å; L40-F67 HydrophobicContact CD2-CE2 3.18Å; L40-F67 HydrophobicContact CD2-CZ 3.23Å; L40-F67 HydrophobicContact CG-CE2 4.43Å; L65-F67 HydrophobicContact CB-CE1 4.25Å; L65-F67 HydrophobicContact CB-CE2 4.27Å; L65-F67 HydrophobicContact CB-CZ 3.85Å; L65-F67 HydrophobicContact CD1-CE1 4.35Å; L65-F67 HydrophobicContact CD1-CZ 4.05Å; F67-P69 WeakPolarHBondContact O-CD 3.23Å; F67-L88 WeakPolarHBondContact O-CD1 3.44Å; F67-L88 WeakPolarHBondContact O-CD2 3.32Å; F67-K92 CarbonylContact C-O 3.53Å; F67-K92 WeakPolarHBondContact CA-O 3.22Å; F67-F94 HydrophobicContact CD1-CB 4.1Å; F67-F94 HydrophobicContact CD1-CD2 4.41Å; F67-F94 HydrophobicContact CD2-CD2 4.3Å; F67-F94 HydrophobicContact CE1-CB 4.3Å; F67-F94 AromaticContact CE1-CD2 3.92Å; F67-F94 HydrophobicContact CE1-CD2 3.92Å; F67-F94 HydrophobicContact CE1-CG 4.39Å; F67-F94 AromaticContact CE2-CD2 3.76Å; F67-F94 HydrophobicContact CE2-CD2 3.76Å; F67-F94 HydrophobicContact CE2-CE2 4.35Å; F67-F94 HydrophobicContact CG-CB 4.34Å; F67-F94 AromaticContact CZ-CD2 3.55Å; F67-F94 HydrophobicContact CZ-CD2 3.55Å; F67-F94 HydrophobicContact CZ-CE2 4.05Å; F67-F94 HydrophobicContact CZ-CG 4.44Å; F67-A98 HydrophobicContact CE1-CB 3.78Å; F67-A98 HydrophobicContact CZ-CB 4.31Å
68N97.3Very high96.8Very high20 Ų2065.3 Ų65.311%0.10735%0.35CS..  trans-88.2102.9166.6-174-7.3000108.8L88 F89 Q91 K92 D93 P277N68-L88 VanDerWaalsContact CB-O 3.3Å; N68-L88 WeakPolarHBondContact CB-O 3.38Å; N68-F89 PolarHBondContact ND2-O 2.94Å; N68-F89 VanDerWaalsContact ND2-O 3.12Å; N68-Q91 HydrophobicContact CB-CB 4.3Å; N68-Q91 WeakPolarHBondContact CB-O 3.3Å; N68-K92 PolarHBondContact N-O 2.75Å; N68-D93 WeakPolarHBondContact O-CA 3.31Å; N68-D93 WeakPolarHBondContact O-CB 3.37Å; N68-P277 HydrophobicContact CB-CG 3.96Å
69P95.7Very high97Very high15 Ų1563.6 Ų63.610%0.09735%0.349CS..  trans-70.6155.8-177.233.3-38.3000110.9T26 E36 T38 F67 R71 I73T26-P69 HydrophobicContact CG2-CB 3.54Å; T26-P69 HydrophobicContact CG2-CG 3.64Å; E36-P69 HydrophobicContact CB-CB 3.93Å; T38-P69 HydrophobicContact CG2-CB 4.43Å; T38-P69 HydrophobicContact CG2-CG 3.88Å; F67-P69 WeakPolarHBondContact O-CD 3.23Å; P69-R71 VanDerWaalsContact C-N 3.34Å; P69-I73 HydrophobicContact CG-CD1 4.04Å; P69-I73 HydrophobicContact CG-CG1 3.89Å
70T92.5Very high97Very high102 Ų10262 Ų6263%0.62634%0.336SS*.SBendtrans-80.9-20.8171.469.20000112.3E36E36-T70 VanDerWaalsContact CD-OG1 3.3Å; E36-T70 PolarHBondContact OE1-OG1 3.41Å; E36-T70 WeakPolarHBondContact OE2-CA 3.09Å; E36-T70 PolarHBondContact OE2-N 2.91Å; E36-T70 PolarHBondContact OE2-OG1 3.28Å
71R91.8Very high97Very high84 Ų8460.5 Ų60.532%0.31733%0.331SS..SBendtrans-94.3149.2176.7-70.4173.4-166.7-93.7-2.9112.4T26 N34 E36 P69 I73T26-R71 HydrophobicContact CG2-CB 4.39Å; N34-R71 WeakPolarHBondContact O-CD 3.34Å; N34-R71 PolarHBondContact O-NE 3.45Å; E36-R71 HydrophobicContact CG-CG 4.39Å; E36-R71 VanDerWaalsContact OE1-CD 3.23Å; E36-R71 WeakPolarHBondContact OE1-CD 3.44Å; E36-R71 VanDerWaalsContact OE1-CG 3.29Å; E36-R71 WeakPolarHBondContact OE1-CG 3.35Å; E36-R71 IonicContact OE1-NE 2.76Å; E36-R71 PolarHBondContact OE1-NE 2.98Å; E36-R71 PolarHBondContact OE2-N 3.13Å; P69-R71 VanDerWaalsContact C-N 3.34Å; R71-I73 PolarHBondContact O-N 3.39Å
72T94.3Very high96.9Very high117 Ų11758.5 Ų58.572%0.71833%0.33SS*.PPolyproline II helixtrans-60.1129.7173.7-51.60000111S74T72-S74 PolarHBondContact O-N 3.33Å
73I97.5Very high96.9Very high16 Ų1655.2 Ų55.28%0.08232%0.317CS..PPolyproline II helixtrans-74.5123.4171.1-58.6164.6000107.8T26 T38 P69 R71 A77 L88T26-I73 HydrophobicContact CG2-CG1 3.85Å; T38-I73 HydrophobicContact CG2-CD1 3.94Å; T38-I73 HydrophobicContact CG2-CG1 4.02Å; P69-I73 HydrophobicContact CG-CD1 4.04Å; P69-I73 HydrophobicContact CG-CG1 3.89Å; R71-I73 PolarHBondContact O-N 3.39Å; I73-A77 HydrophobicContact CG2-CB 3.99Å; I73-L88 HydrophobicContact CD1-CD1 3.72Å
74S96.9Very high96.9Very high46 Ų4656.8 Ų56.832%0.32233%0.326SS..PPolyproline II helixtrans-61.9150.2176.6680000111.1T26 T72 I76 A77 S78T26-S74 WeakPolarHBondContact O-CB 3.46Å; T26-S74 PolarHBondContact O-N 3.19Å; T26-S74 PolarHBondContact O-OG 3.37Å; T26-S74 VanDerWaalsContact O-OG 3.07Å; T72-S74 PolarHBondContact O-N 3.33Å; S74-I76 PolarHBondContact O-N 3.06Å; S74-A77 PolarHBondContact O-N 3.17Å; S74-A77 VanDerWaalsContact O-N 3.16Å; S74-A77 WeakPolarHBondContact OG-CB 3.25Å; S74-A77 PolarHBondContact OG-N 3.03Å; S74-S78 WeakPolarHBondContact O-CB 3.47Å; S74-S78 PolarHBondContact O-N 3.36Å
75S97.2Very high96.7Very high101 Ų10157.5 Ų57.571%0.70633%0.332SS*.Hα-helixtrans-58.9-33.9179.356.70000112.9K79S75-K79 VanDerWaalsContact O-CB 3.25Å; S75-K79 WeakPolarHBondContact O-CB 3.19Å; S75-K79 PolarHBondContact O-N 3.09Å
76I97.1Very high96.6Very high123 Ų12362.2 Ų62.263%0.63136%0.358SS*.Hα-helixtrans-67.4-50.8176-62.9171.7000110.2S74 S78 K79 I80S74-I76 PolarHBondContact O-N 3.06Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.41Å; I76-K79 PolarHBondContact O-N 3.32Å; I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.08Å
77A97.4Very high96.6Very high5 Ų564 Ų644%0.04137%0.365CS..Hα-helixtrans-58.7-45.7178.200000111.6T25 T26 I73 S74 K79 I80 S81T25-A77 WeakPolarHBondContact O-CB 3.25Å; T26-A77 WeakPolarHBondContact O-CB 3.32Å; I73-A77 HydrophobicContact CG2-CB 3.99Å; S74-A77 PolarHBondContact O-N 3.17Å; S74-A77 VanDerWaalsContact O-N 3.16Å; S74-A77 WeakPolarHBondContact OG-CB 3.25Å; S74-A77 PolarHBondContact OG-N 3.03Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.29Å; A77-I80 VanDerWaalsContact O-CG1 3.25Å; A77-I80 WeakPolarHBondContact O-CG1 3.43Å; A77-I80 PolarHBondContact O-N 3.42Å; A77-S81 PolarHBondContact O-N 3.42Å; A77-S81 PolarHBondContact O-OG 3.3Å
78S97.9Very high96.6Very high30 Ų3063.9 Ų63.921%0.2136%0.364CS..Hα-helixtrans-62.1-38.9178.2-174.90000112.9S74 I76 G82 L83S74-S78 WeakPolarHBondContact O-CB 3.47Å; S74-S78 PolarHBondContact O-N 3.36Å; I76-S78 VanDerWaalsContact C-N 3.33Å; I76-S78 PolarHBondContact O-N 3.41Å; S78-G82 VanDerWaalsContact O-CA 3.26Å; S78-G82 WeakPolarHBondContact O-CA 3.27Å; S78-G82 PolarHBondContact O-N 3.41Å; S78-L83 WeakPolarHBondContact CA-O 3.47Å; S78-L83 VanDerWaalsContact CB-O 3.23Å; S78-L83 WeakPolarHBondContact CB-O 3.31Å; S78-L83 PolarHBondContact OG-O 2.9Å
79K97.7Very high96.5Very high185 Ų18567.5 Ų67.580%0.80438%0.379SS*.Hα-helixtrans-67.6-39.9178.7-177.9178.8178.3-177.70112.6S75 I76 A77S75-K79 VanDerWaalsContact O-CB 3.25Å; S75-K79 WeakPolarHBondContact O-CB 3.19Å; S75-K79 PolarHBondContact O-N 3.09Å; I76-K79 PolarHBondContact O-N 3.32Å; A77-K79 VanDerWaalsContact C-N 3.31Å; A77-K79 PolarHBondContact O-N 3.29Å
80I96.3Very high96.5Very high79 Ų7972.5 Ų72.541%0.40540%0.401SS..Hα-helixtrans-76.7-44.8-177.663.6179.4000111.4I76 A77 H224I76-I80 WeakPolarHBondContact O-CG1 3.44Å; I76-I80 PolarHBondContact O-N 3.08Å; A77-I80 VanDerWaalsContact O-CG1 3.25Å; A77-I80 WeakPolarHBondContact O-CG1 3.43Å; A77-I80 PolarHBondContact O-N 3.42Å; I80-H224 HydrophobicContact CB-CB 4.29Å; I80-H224 WeakPolarHBondContact O-CB 3.29Å
81S97.1Very high96.7Very high19 Ų1971.3 Ų71.313%0.13339%0.388CS..Hα-helixtrans-87.3-17.6-175.6670000114.2E24 A77 L83 H224E24-S81 WeakPolarHBondContact OE2-CB 3.26Å; A77-S81 PolarHBondContact O-N 3.42Å; A77-S81 PolarHBondContact O-OG 3.3Å; S81-L83 PolarHBondContact O-N 3.5Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 PolarHBondContact OG-N 3.26Å; S81-H224 VanDerWaalsContact CA-O 3.27Å; S81-H224 WeakPolarHBondContact CA-O 3.28Å
82G97.8Very high96.9Very high43 Ų4369.7 Ų69.744%0.44338%0.384SS..  trans72.55.4-17100000113.8S78 N87S78-G82 VanDerWaalsContact O-CA 3.26Å; S78-G82 WeakPolarHBondContact O-CA 3.27Å; S78-G82 PolarHBondContact O-N 3.41Å; G82-N87 PolarHBondContact O-ND2 3.07Å
83L98.3Very high96.9Very high20 Ų2065 Ų6511%0.10535%0.354CS..  trans-90.9139178.4-59.5175.9000111.2E24 E39 S78 S81 L88E24-L83 HydrophobicContact CB-CD1 4Å; E24-L83 HydrophobicContact CG-CD1 4.49Å; E39-L83 HydrophobicContact CB-CD1 3.81Å; S78-L83 WeakPolarHBondContact CA-O 3.47Å; S78-L83 VanDerWaalsContact CB-O 3.23Å; S78-L83 WeakPolarHBondContact CB-O 3.31Å; S78-L83 PolarHBondContact OG-O 2.9Å; S81-L83 PolarHBondContact O-N 3.5Å; S81-L83 WeakPolarHBondContact OG-CB 3.49Å; S81-L83 PolarHBondContact OG-N 3.26Å; L83-L88 HydrophobicContact CB-CD1 4Å; L83-L88 HydrophobicContact CD2-CD2 4.19Å
84N97.8Very high96.9Very high51 Ų5165 Ų6527%0.27335%0.354SS..  trans-151173.517756.455.5000110.5D86 N87 L88N84-D86 PolarHBondContact O-N 2.91Å; N84-D86 WeakPolarHBondContact OD1-CA 3.49Å; N84-D86 WeakPolarHBondContact OD1-CB 3.44Å; N84-D86 PolarHBondContact OD1-N 3.31Å; N84-N87 PolarHBondContact N-OD1 3.36Å; N84-N87 PolarHBondContact O-N 3.01Å; N84-N87 PolarHBondContact O-OD1 3.24Å; N84-N87 PolarHBondContact OD1-N 2.86Å; N84-L88 WeakPolarHBondContact O-CB 3.17Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3Å; N84-L88 VanDerWaalsContact O-N 3.09Å
85S95.5Very high96.7Very high63 Ų6363.1 Ų63.144%0.44134%0.34SS..THydrogen-bonded Turntrans-60.6-27.2-179-61.20000113.4F89S85-F89 WeakPolarHBondContact O-CA 3.5Å; S85-F89 WeakPolarHBondContact O-CB 3.18Å; S85-F89 PolarHBondContact O-N 2.91Å; S85-F89 VanDerWaalsContact O-N 3.12Å
86D96.8Very high96.6Very high141 Ų14158.5 Ų58.575%0.75431%0.308SS*.THydrogen-bonded Turntrans-75.7-49.7-177.9-58.6-29.1000111.2N84 L88 F89N84-D86 PolarHBondContact O-N 2.91Å; N84-D86 WeakPolarHBondContact OD1-CA 3.49Å; N84-D86 WeakPolarHBondContact OD1-CB 3.44Å; N84-D86 PolarHBondContact OD1-N 3.31Å; D86-L88 VanDerWaalsContact C-N 3.31Å; D86-L88 PolarHBondContact O-N 3.22Å; D86-F89 WeakPolarHBondContact O-CB 3.45Å; D86-F89 PolarHBondContact O-N 2.76Å
87N97.8Very high96.5Very high79 Ų7955 Ų5542%0.42230%0.295SS..THydrogen-bonded Turntrans-75.9-20.3-179.569.213.4000113.6G82 N84G82-N87 PolarHBondContact O-ND2 3.07Å; N84-N87 PolarHBondContact N-OD1 3.36Å; N84-N87 PolarHBondContact O-N 3.01Å; N84-N87 PolarHBondContact O-OD1 3.24Å; N84-N87 PolarHBondContact OD1-N 2.86Å
88L97.8Very high96.5Very high2 Ų255.2 Ų55.21%0.0130%0.296CS..THydrogen-bonded Turntrans-91.1-5.6172.8-66.4170.5000113.4T38 C66 F67 N68 I73 L83 N84 D86 H90 Q91T38-L88 HydrophobicContact CG2-CD1 4.05Å; C66-L88 HydrophobicContact CB-CD2 3.79Å; F67-L88 WeakPolarHBondContact O-CD1 3.44Å; F67-L88 WeakPolarHBondContact O-CD2 3.32Å; N68-L88 VanDerWaalsContact CB-O 3.3Å; N68-L88 WeakPolarHBondContact CB-O 3.38Å; I73-L88 HydrophobicContact CD1-CD1 3.72Å; L83-L88 HydrophobicContact CB-CD1 4Å; L83-L88 HydrophobicContact CD2-CD2 4.19Å; N84-L88 WeakPolarHBondContact O-CB 3.17Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3Å; N84-L88 VanDerWaalsContact O-N 3.09Å; D86-L88 VanDerWaalsContact C-N 3.31Å; D86-L88 PolarHBondContact O-N 3.22Å; L88-H90 PolarHBondContact O-N 3.06Å; L88-Q91 HydrophobicContact CD2-CG 3.98Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 2.82Å
89F96.1Very high96.5Very high96 Ų9653.8 Ų53.842%0.42129%0.286SS..THydrogen-bonded Turntrans-52.6-39.9-170.4-177.4-104000114.1N68 S85 D86 Y278N68-F89 PolarHBondContact ND2-O 2.94Å; N68-F89 VanDerWaalsContact ND2-O 3.12Å; S85-F89 WeakPolarHBondContact O-CA 3.5Å; S85-F89 WeakPolarHBondContact O-CB 3.18Å; S85-F89 PolarHBondContact O-N 2.91Å; S85-F89 VanDerWaalsContact O-N 3.12Å; D86-F89 WeakPolarHBondContact O-CB 3.45Å; D86-F89 PolarHBondContact O-N 2.76Å; F89-Y278 HydrophobicContact CE1-CD1 4.45Å; F89-Y278 HydrophobicContact CE1-CG 4.11Å; F89-Y278 VanDerWaalsContact CZ-CB 3.4Å; F89-Y278 HydrophobicContact CZ-CG 4.17Å
90H95.8Very high96.5Very high120 Ų12047.9 Ų47.956%0.55626%0.263SS*.THydrogen-bonded Turntrans-92.27.1-179.3-67.5-58.7000114.6L88 F276 Y278L88-H90 PolarHBondContact O-N 3.06Å; H90-F276 WeakPolarHBondContact O-CD1 2.95Å; H90-F276 VanDerWaalsContact O-CE1 3.26Å; H90-F276 WeakPolarHBondContact O-CE1 3.29Å; H90-Y278 AromaticContact ND1-CE1 3.81Å
91Q96.9Very high96.6Very high78 Ų7847.8 Ų47.836%0.36426%0.263SS..SBendtrans-84.5157.6172.2-55.4-54.1-38.400111C66 N68 L88 P277C66-Q91 HydrophobicContact CB-CG 3.9Å; N68-Q91 HydrophobicContact CB-CB 4.3Å; N68-Q91 WeakPolarHBondContact CB-O 3.3Å; L88-Q91 HydrophobicContact CD2-CG 3.98Å; L88-Q91 WeakPolarHBondContact O-CB 3.33Å; L88-Q91 PolarHBondContact O-N 2.82Å; Q91-P277 WeakPolarHBondContact O-CD 3.5Å
92K95.3Very high96.6Very high49 Ų4946.9 Ų46.921%0.21326%0.257CS..PPolyproline II helixtrans-75.9158.7172.1-145.3178.2-169.4-159.40110F67 N68 D95 S97 C273 F276F67-K92 CarbonylContact C-O 3.53Å; F67-K92 WeakPolarHBondContact CA-O 3.22Å; N68-K92 PolarHBondContact N-O 2.75Å; K92-D95 WeakPolarHBondContact CE-OD2 3.23Å; K92-D95 IonicContact NZ-OD2 2.98Å; K92-D95 PolarHBondContact NZ-OD2 2.76Å; K92-S97 PolarHBondContact NZ-OG 3.2Å; K92-C273 PolarHBondContact NZ-O 3.16Å; K92-F276 HydrophobicContact CB-CD1 4.38Å; K92-F276 HydrophobicContact CB-CE1 4.21Å
93D94.9Very high96.7Very high18 Ų1846.1 Ų46.110%0.09624%0.242CC..PPolyproline II helixtrans-76.5168.6167.255.7-27.1000111.3N68 D95 P277 R280N68-D93 WeakPolarHBondContact O-CA 3.31Å; N68-D93 WeakPolarHBondContact O-CB 3.37Å; D93-D95 PolarHBondContact O-N 2.93Å; D93-P277 HydrophobicContact CB-CG 4.17Å; D93-R280 IonicContact OD1-NH2 2.75Å; D93-R280 PolarHBondContact OD1-NH2 3.48Å; D93-R280 IonicContact OD2-CZ 2.64Å; D93-R280 IonicContact OD2-NH1 2.66Å; D93-R280 PolarHBondContact OD2-NH1 3.26Å; D93-R280 IonicContact OD2-NH2 2.82Å; D93-R280 PolarHBondContact OD2-NH2 3Å
94F95.7Very high96.7Very high17 Ų1750.6 Ų50.68%0.07527%0.265CS..SBendtrans-69.7102.8169.8-165.9-72000108.6I37 F67 V99 I102 L128 Q131 I132 V135I37-F94 HydrophobicContact CD1-CD2 4.11Å; I37-F94 HydrophobicContact CD1-CE2 3.9Å; F67-F94 HydrophobicContact CD1-CB 4.1Å; F67-F94 HydrophobicContact CD1-CD2 4.41Å; F67-F94 HydrophobicContact CD2-CD2 4.3Å; F67-F94 HydrophobicContact CE1-CB 4.3Å; F67-F94 AromaticContact CE1-CD2 3.92Å; F67-F94 HydrophobicContact CE1-CD2 3.92Å; F67-F94 HydrophobicContact CE1-CG 4.39Å; F67-F94 AromaticContact CE2-CD2 3.76Å; F67-F94 HydrophobicContact CE2-CD2 3.76Å; F67-F94 HydrophobicContact CE2-CE2 4.35Å; F67-F94 HydrophobicContact CG-CB 4.34Å; F67-F94 AromaticContact CZ-CD2 3.55Å; F67-F94 HydrophobicContact CZ-CD2 3.55Å; F67-F94 HydrophobicContact CZ-CE2 4.05Å; F67-F94 HydrophobicContact CZ-CG 4.44Å; F94-V99 HydrophobicContact CE1-CG2 3.57Å; F94-V99 HydrophobicContact CZ-CG2 4.03Å; F94-I102 HydrophobicContact CZ-CD1 4.39Å; F94-L128 HydrophobicContact CE2-CD1 4.22Å; F94-L128 HydrophobicContact CZ-CD1 4.06Å; F94-Q131 HydrophobicContact CD1-CB 3.87Å; F94-Q131 HydrophobicContact CD2-CB 4.4Å; F94-Q131 HydrophobicContact CE1-CB 3.69Å; F94-Q131 HydrophobicContact CE2-CB 4.23Å; F94-Q131 HydrophobicContact CG-CB 4.24Å; F94-Q131 HydrophobicContact CZ-CB 3.89Å; F94-I132 HydrophobicContact CE1-CG1 4.45Å; F94-I132 HydrophobicContact CZ-CG1 4.24Å; F94-V135 HydrophobicContact CD1-CG2 4.25Å; F94-V135 HydrophobicContact CE1-CG2 4.13Å; F94-V135 WeakPolarHBondContact O-CG1 3.49Å
95D94.2Very high96.7Very high7 Ų749.4 Ų49.44%0.03726%0.258CS..  trans-124.3-176.2-174.678.3-6.1000112.7K92 D93 S97 A98 V99K92-D95 WeakPolarHBondContact CE-OD2 3.23Å; K92-D95 IonicContact NZ-OD2 2.98Å; K92-D95 PolarHBondContact NZ-OD2 2.76Å; D93-D95 PolarHBondContact O-N 2.93Å; D95-S97 VanDerWaalsContact CG-OG 3.23Å; D95-S97 PolarHBondContact O-N 2.58Å; D95-S97 WeakPolarHBondContact OD1-CA 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.41Å; D95-S97 PolarHBondContact OD1-OG 2.86Å; D95-S97 PolarHBondContact OD2-OG 3.33Å; D95-S97 VanDerWaalsContact OD2-OG 3.07Å; D95-A98 WeakPolarHBondContact O-CB 3.25Å; D95-A98 PolarHBondContact O-N 3.48Å; D95-A98 PolarHBondContact OD1-N 3.17Å; D95-V99 PolarHBondContact O-N 3.23Å
96A94.9Very high96.9Very high3 Ų346.4 Ų46.43%0.02524%0.237CC..Hα-helixtrans-60.2-32.2178.500000113V99 D100 K136A96-V99 PolarHBondContact O-N 3.16Å; A96-D100 VanDerWaalsContact O-CG 3.26Å; A96-D100 PolarHBondContact O-N 2.71Å; A96-K136 HydrophobicContact CB-CD 3.82Å
97S95.2Very high97Very high51 Ų5143.1 Ų43.136%0.35722%0.219SC..Hα-helixtrans-72.2-32.6179.572.30000112.6K92 D95 V99 D100 L101K92-S97 PolarHBondContact NZ-OG 3.2Å; D95-S97 VanDerWaalsContact CG-OG 3.23Å; D95-S97 PolarHBondContact O-N 2.58Å; D95-S97 WeakPolarHBondContact OD1-CA 3.31Å; D95-S97 WeakPolarHBondContact OD1-CB 3.49Å; D95-S97 PolarHBondContact OD1-N 3.41Å; D95-S97 PolarHBondContact OD1-OG 2.86Å; D95-S97 PolarHBondContact OD2-OG 3.33Å; D95-S97 VanDerWaalsContact OD2-OG 3.07Å; S97-V99 VanDerWaalsContact C-N 3.33Å; S97-D100 PolarHBondContact O-N 3Å; S97-L101 WeakPolarHBondContact O-CB 3.23Å; S97-L101 PolarHBondContact O-N 3.47Å
98A96.8Very high97Very high8 Ų849.1 Ų49.17%0.06624%0.235CC..Hα-helixtrans-61.5-42.5170.700000111.2F67 D95 L101 I102F67-A98 HydrophobicContact CE1-CB 3.78Å; F67-A98 HydrophobicContact CZ-CB 4.31Å; D95-A98 WeakPolarHBondContact O-CB 3.25Å; D95-A98 PolarHBondContact O-N 3.48Å; D95-A98 PolarHBondContact OD1-N 3.17Å; A98-L101 PolarHBondContact O-N 2.91Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 3.16Å
99V97.8Very high97Very high0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-66.6-41.1176.6-174.20000111.8F94 D95 A96 S97 L101 I102 Q103 I132 V135 K136 Y140 L142F94-V99 HydrophobicContact CE1-CG2 3.57Å; F94-V99 HydrophobicContact CZ-CG2 4.03Å; D95-V99 PolarHBondContact O-N 3.23Å; A96-V99 PolarHBondContact O-N 3.16Å; S97-V99 VanDerWaalsContact C-N 3.33Å; V99-L101 VanDerWaalsContact C-N 3.26Å; V99-L101 PolarHBondContact O-N 2.82Å; V99-I102 PolarHBondContact O-N 3Å; V99-Q103 PolarHBondContact O-N 3.32Å; V99-I132 HydrophobicContact CG1-CG1 4.23Å; V99-I132 HydrophobicContact CG1-CG2 4.21Å; V99-I132 HydrophobicContact CG2-CG1 4.02Å; V99-V135 HydrophobicContact CG2-CG2 3.57Å; V99-K136 HydrophobicContact CB-CD 4.18Å; V99-K136 HydrophobicContact CB-CG 3.85Å; V99-K136 HydrophobicContact CG1-CD 4.39Å; V99-K136 HydrophobicContact CG1-CG 3.75Å; V99-K136 HydrophobicContact CG2-CG 4Å; V99-Y140 HydrophobicContact CG1-CD1 4.1Å; V99-Y140 HydrophobicContact CG1-CE1 3.36Å; V99-L142 HydrophobicContact CG1-CD2 4.43Å
100D97.4Very high97.1Very high62 Ų6249.6 Ų49.633%0.33224%0.243SC..Hα-helixtrans-61.7-37.7175.8-66.4-26.2000111.3A96 S97 Q103 L104 K136A96-D100 VanDerWaalsContact O-CG 3.26Å; A96-D100 PolarHBondContact O-N 2.71Å; S97-D100 PolarHBondContact O-N 3Å; D100-Q103 PolarHBondContact O-N 3.06Å; D100-L104 WeakPolarHBondContact O-CB 3.42Å; D100-L104 VanDerWaalsContact O-CG 3.28Å; D100-L104 WeakPolarHBondContact O-CG 3.27Å; D100-L104 PolarHBondContact O-N 3.02Å; D100-K136 IonicContact OD1-NZ 3.52Å; D100-K136 PolarHBondContact OD1-NZ 3.28Å; D100-K136 IonicContact OD2-NZ 3.21Å
101L98Very high97.2Very high76 Ų7644.7 Ų44.740%0.39822%0.222SC..Hα-helixtrans-67.4-40.2176.5-167.7137.2000112.3L63 L65 S97 A98 V99 L104 F105L63-L101 HydrophobicContact CD1-CD2 3.24Å; L63-L101 HydrophobicContact CD2-CD2 3.49Å; L63-L101 VanDerWaalsContact CD2-CD2 3.49Å; L63-L101 HydrophobicContact CG-CD2 3.98Å; L65-L101 HydrophobicContact CD1-CD2 3.87Å; L65-L101 HydrophobicContact CD2-CD2 4.2Å; L65-L101 HydrophobicContact CG-CD2 4.46Å; S97-L101 WeakPolarHBondContact O-CB 3.23Å; S97-L101 PolarHBondContact O-N 3.47Å; A98-L101 PolarHBondContact O-N 2.91Å; V99-L101 VanDerWaalsContact C-N 3.26Å; V99-L101 PolarHBondContact O-N 2.82Å; L101-L104 PolarHBondContact O-N 3.02Å; L101-F105 WeakPolarHBondContact O-CB 3.18Å; L101-F105 PolarHBondContact O-N 3.04Å
102I98.7Very high97.2Very high1 Ų142.5 Ų42.51%0.00521%0.214CC..Hα-helixtrans-60.2-48.7171.2-68.7166.1000110.4L40 M42 L63 F94 A98 V99 L104 F105 L106 L128 L142L40-I102 HydrophobicContact CD1-CD1 4.05Å; L40-I102 HydrophobicContact CD1-CG1 4.4Å; M42-I102 HydrophobicContact CE-CG2 4.23Å; M42-I102 HydrophobicContact SD-CG1 4.15Å; M42-I102 HydrophobicContact SD-CG2 3.95Å; L63-I102 HydrophobicContact CD2-CG1 4.16Å; F94-I102 HydrophobicContact CZ-CD1 4.39Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 3.16Å; V99-I102 PolarHBondContact O-N 3Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 2.99Å; I102-F105 WeakPolarHBondContact O-CB 3.2Å; I102-F105 PolarHBondContact O-N 2.89Å; I102-L106 HydrophobicContact CG2-CD1 4.08Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.1Å; I102-L128 HydrophobicContact CD1-CD1 4.36Å; I102-L142 HydrophobicContact CG2-CD1 4.06Å; I102-L142 HydrophobicContact CG2-CD2 4.13Å
103Q98.6Very high97.4Very high27 Ų2740.2 Ų40.213%0.12621%0.205CC..Hα-helixtrans-62.5-40.6-179.9-177.258.266.300112.2V99 D100 L106 N107 L142 N143V99-Q103 PolarHBondContact O-N 3.32Å; D100-Q103 PolarHBondContact O-N 3.06Å; Q103-L106 PolarHBondContact O-N 3.22Å; Q103-N107 PolarHBondContact NE2-OD1 3.21Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-OD1 3.38Å; Q103-L142 HydrophobicContact CB-CD2 4.37Å; Q103-N143 PolarHBondContact NE2-O 3.03Å
104L98.6Very high97.5Very high114 Ų11439.4 Ų39.460%0.59720%0.2SC*.Hα-helixtrans-65.9-38.6174.9-72.6172.8000112D100 L101 I102 N107 R108D100-L104 WeakPolarHBondContact O-CB 3.42Å; D100-L104 VanDerWaalsContact O-CG 3.28Å; D100-L104 WeakPolarHBondContact O-CG 3.27Å; D100-L104 PolarHBondContact O-N 3.02Å; L101-L104 PolarHBondContact O-N 3.02Å; I102-L104 VanDerWaalsContact C-N 3.34Å; I102-L104 PolarHBondContact O-N 2.99Å; L104-N107 PolarHBondContact O-N 2.95Å; L104-R108 WeakPolarHBondContact O-CG 3.2Å; L104-R108 PolarHBondContact O-N 3.42Å
105F98.8Very high97.7Very high26 Ų2638.6 Ų38.611%0.11420%0.196CC..Hα-helixtrans-59.7-47.4172.8177.9-95.2000111.2M42 A44 N61 L63 L101 I102 N107 R108 L109M42-F105 HydrophobicContact CB-CD1 4.44Å; M42-F105 HydrophobicContact CB-CE1 3.85Å; M42-F105 HydrophobicContact CB-CZ 4.28Å; M42-F105 HydrophobicContact CE-CD1 3.95Å; M42-F105 HydrophobicContact CE-CE1 4.13Å; M42-F105 HydrophobicContact SD-CD1 4.18Å; M42-F105 HydrophobicContact SD-CE1 4.48Å; A44-F105 HydrophobicContact CB-CE1 4.11Å; A44-F105 HydrophobicContact CB-CZ 3.85Å; N61-F105 HydrophobicContact CB-CE2 3.85Å; N61-F105 HydrophobicContact CB-CZ 4.05Å; L63-F105 HydrophobicContact CB-CD2 3.72Å; L63-F105 HydrophobicContact CB-CE2 3.8Å; L63-F105 HydrophobicContact CB-CG 4.09Å; L63-F105 HydrophobicContact CB-CZ 4.24Å; L63-F105 HydrophobicContact CD2-CB 4.01Å; L63-F105 HydrophobicContact CD2-CD2 4.48Å; L63-F105 HydrophobicContact CD2-CG 4.14Å; L101-F105 WeakPolarHBondContact O-CB 3.18Å; L101-F105 PolarHBondContact O-N 3.04Å; I102-F105 WeakPolarHBondContact O-CB 3.2Å; I102-F105 PolarHBondContact O-N 2.89Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 2.96Å; F105-R108 WeakPolarHBondContact O-CB 3.42Å; F105-R108 PolarHBondContact O-N 3.27Å; F105-R108 VanDerWaalsContact O-N 3.08Å; F105-L109 HydrophobicContact CD1-CD1 4.25Å; F105-L109 HydrophobicContact CE1-CD1 3.89Å; F105-L109 HydrophobicContact CE1-CD2 4.46Å; F105-L109 HydrophobicContact CZ-CD2 4.49Å
106L98.7Very high97.9Very high0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-60.1-39.6177.2-66.6171.7000112.8M42 I102 Q103 R108 L109 V113 F115 L142 I150M42-L106 HydrophobicContact CE-CD2 3.86Å; M42-L106 HydrophobicContact CE-CG 4.41Å; I102-L106 HydrophobicContact CG2-CD1 4.08Å; I102-L106 HydrophobicContact CG2-CG 4.46Å; I102-L106 VanDerWaalsContact O-CG 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.36Å; I102-L106 PolarHBondContact O-N 3.1Å; Q103-L106 PolarHBondContact O-N 3.22Å; L106-R108 PolarHBondContact O-N 3.31Å; L106-R108 VanDerWaalsContact O-N 3.11Å; L106-L109 HydrophobicContact CD2-CD1 4.25Å; L106-L109 WeakPolarHBondContact O-CB 3.23Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-V113 HydrophobicContact CD2-CG1 4.09Å; L106-F115 HydrophobicContact CD1-CZ 4.26Å; L106-F115 HydrophobicContact CD2-CE1 3.6Å; L106-F115 HydrophobicContact CD2-CZ 3.87Å; L106-L142 HydrophobicContact CD1-CB 4.09Å; L106-L142 HydrophobicContact CD1-CD1 4.21Å; L106-L142 HydrophobicContact CD1-CD2 4.1Å; L106-L142 HydrophobicContact CD1-CG 4.37Å; L106-I150 HydrophobicContact CD1-CD1 4Å; L106-I150 HydrophobicContact CD1-CG1 3.89Å; L106-I150 HydrophobicContact CD2-CD1 3.97Å; L106-I150 HydrophobicContact CG-CD1 4.39Å
107N98.5Very high98.1Very high71 Ų7138.1 Ų38.138%0.3819%0.193SC..THydrogen-bonded Turntrans-64.9-13.7177.8-71.2-9.8000113.7Q103 L104 F105 S145Q103-N107 PolarHBondContact NE2-OD1 3.21Å; Q103-N107 PolarHBondContact O-N 2.82Å; Q103-N107 PolarHBondContact O-OD1 3.38Å; L104-N107 PolarHBondContact O-N 2.95Å; F105-N107 VanDerWaalsContact C-N 3.32Å; F105-N107 PolarHBondContact O-N 2.96Å; N107-S145 WeakPolarHBondContact O-CB 3.43Å
108R98.3Very high98.2Very high205 Ų20537 Ų3777%0.77418%0.183SC*.THydrogen-bonded Turntrans-90.5-7.7175.7-63-64.3-60.1168.12113.3L104 F105 L106L104-R108 WeakPolarHBondContact O-CG 3.2Å; L104-R108 PolarHBondContact O-N 3.42Å; F105-R108 WeakPolarHBondContact O-CB 3.42Å; F105-R108 PolarHBondContact O-N 3.27Å; F105-R108 VanDerWaalsContact O-N 3.08Å; L106-R108 PolarHBondContact O-N 3.31Å; L106-R108 VanDerWaalsContact O-N 3.11Å
109L98.4Very high98.3Very high6 Ų638.6 Ų38.63%0.03119%0.19CC..SBendtrans-93.8150.2-176.4-54.6-178.4000111T17 V19 A44 N61 F105 L106 V113 S145T17-L109 HydrophobicContact CG2-CB 4.08Å; T17-L109 HydrophobicContact CG2-CD1 4Å; T17-L109 HydrophobicContact CG2-CD2 4.25Å; T17-L109 HydrophobicContact CG2-CG 4.32Å; V19-L109 HydrophobicContact CG2-CD1 3.5Å; V19-L109 VanDerWaalsContact CG2-CD1 3.5Å; A44-L109 HydrophobicContact CB-CD1 3.89Å; A44-L109 HydrophobicContact CB-CD2 3.66Å; A44-L109 HydrophobicContact CB-CG 4.44Å; N61-L109 HydrophobicContact CB-CD2 4.26Å; F105-L109 HydrophobicContact CD1-CD1 4.25Å; F105-L109 HydrophobicContact CE1-CD1 3.89Å; F105-L109 HydrophobicContact CE1-CD2 4.46Å; F105-L109 HydrophobicContact CZ-CD2 4.49Å; L106-L109 HydrophobicContact CD2-CD1 4.25Å; L106-L109 WeakPolarHBondContact O-CB 3.23Å; L106-L109 PolarHBondContact O-N 3.16Å; L109-V113 HydrophobicContact CB-CG2 3.81Å; L109-V113 HydrophobicContact CD1-CG1 3.99Å; L109-V113 HydrophobicContact CD1-CG2 4.42Å; L109-S145 PolarHBondContact O-OG 2.96Å; L109-S145 VanDerWaalsContact O-OG 3.07Å
110D97.9Very high98.3Very high103 Ų10338.6 Ų38.655%0.55119%0.19SC*.PPolyproline II helixtrans-74.2130.1174.7-168.523.4000109.6S16 T17S16-D110 WeakPolarHBondContact CB-O 3.38Å; T17-D110 VanDerWaalsContact CB-O 3.32Å; T17-D110 WeakPolarHBondContact CB-O 3.25Å; T17-D110 PolarHBondContact OG1-N 3.2Å; T17-D110 PolarHBondContact OG1-O 2.95Å
111S97.6Very high98.4Very high16 Ų1637.4 Ų37.411%0.11218%0.184CC..SBendtrans-89.5147.7-174.2-62.40000110.4S16 D144 S145S16-S111 VanDerWaalsContact CB-O 3.32Å; S16-S111 WeakPolarHBondContact CB-O 3.19Å; S16-S111 PolarHBondContact OG-O 3.13Å; S111-D144 WeakPolarHBondContact CB-OD2 3.42Å; S111-D144 VanDerWaalsContact OG-CB 3.29Å; S111-D144 WeakPolarHBondContact OG-CB 3.39Å; S111-D144 PolarHBondContact OG-OD1 3.12Å; S111-D144 PolarHBondContact OG-OD2 2.82Å; S111-S145 PolarHBondContact OG-N 3.28Å; S111-S145 PolarHBondContact OG-OG 3.15Å
112P97.7Very high98.3Very high33 Ų3341.8 Ų41.821%0.21420%0.195CC..SBendcis-77.2146.51.4-1531.2000113.7L13 F14 L15 S16 T17L13-P112 HydrophobicContact CD1-CG 3.96Å; L13-P112 HydrophobicContact CD2-CB 3.87Å; L13-P112 HydrophobicContact CD2-CG 4.11Å; L13-P112 HydrophobicContact CG-CB 4.34Å; L13-P112 HydrophobicContact CG-CG 4.07Å; F14-P112 VanDerWaalsContact O-CD 3.24Å; F14-P112 WeakPolarHBondContact O-CD 2.78Å; F14-P112 WeakPolarHBondContact O-CG 3.2Å; L15-P112 HydrophobicContact CD2-CB 4.48Å; S16-P112 PolarHBondContact N-O 3.3Å; T17-P112 PolarHBondContact N-O 3.41Å
113V98.4Very high98.3Very high1 Ų143.3 Ų43.31%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-103.6129.6-179.4-177.60000111V19 L106 L109 D144 I150 I151V19-V113 HydrophobicContact CG2-CG1 3.55Å; L106-V113 HydrophobicContact CD2-CG1 4.09Å; L109-V113 HydrophobicContact CB-CG2 3.81Å; L109-V113 HydrophobicContact CD1-CG1 3.99Å; L109-V113 HydrophobicContact CD1-CG2 4.42Å; V113-D144 HydrophobicContact CB-CB 4.34Å; V113-D144 HydrophobicContact CG2-CB 3.91Å; V113-I150 HydrophobicContact CB-CD1 3.86Å; V113-I150 HydrophobicContact CG1-CD1 4.14Å; V113-I151 VanDerWaalsContact O-CG1 3.23Å; V113-I151 WeakPolarHBondContact O-CG1 3.34Å; V113-I151 PolarHBondContact O-N 3.04Å
114C98.4Very high98.3Very high0 Ų042.2 Ų42.20%020%0.197CC..EExtended strand (participates in β ladder)trans-119.9122.5178.1-171.40000112.8L15 T17 L18 V19 I151L15-C114 HydrophobicContact CD1-CB 3.89Å; L15-C114 HydrophobicContact CD2-CB 4.05Å; T17-C114 PolarHBondContact O-N 2.93Å; L18-C114 HydrophobicContact CD2-CB 4.15Å; V19-C114 PolarHBondContact N-O 2.9Å; C114-I151 CarbonylContact C-O 3.47Å; C114-I151 WeakPolarHBondContact CA-O 3.32Å; C114-I151 HydrophobicContact CB-CD1 3.94Å; C114-I151 HydrophobicContact CB-CG1 3.92Å
115F98.7Very high98.3Very high0 Ų036.8 Ų36.80%017%0.168CC..EExtended strand (participates in β ladder)trans-75.4133.8168.1-71-7.8000111.3V19 M42 L106 F125 L128 L142 I150 I151 C152 T153 F255V19-F115 HydrophobicContact CB-CD1 3.84Å; V19-F115 HydrophobicContact CB-CE1 4.16Å; V19-F115 HydrophobicContact CG1-CD1 4.11Å; V19-F115 HydrophobicContact CG1-CE1 4.09Å; V19-F115 HydrophobicContact CG2-CD1 4.4Å; V19-F115 HydrophobicContact CG2-CE1 4.46Å; V19-F115 CarbonylContact O-C 3.54Å; V19-F115 WeakPolarHBondContact O-CA 3.37Å; M42-F115 HydrophobicContact CE-CD1 4.49Å; M42-F115 HydrophobicContact CE-CE1 3.38Å; M42-F115 HydrophobicContact CE-CZ 3.46Å; M42-F115 VanDerWaalsContact CE-CZ 3.46Å; L106-F115 HydrophobicContact CD1-CZ 4.26Å; L106-F115 HydrophobicContact CD2-CE1 3.6Å; L106-F115 HydrophobicContact CD2-CZ 3.87Å; F115-F125 HydrophobicContact CB-CD1 4.5Å; F115-F125 HydrophobicContact CB-CE1 3.69Å; F115-F125 HydrophobicContact CB-CZ 4.01Å; F115-F125 HydrophobicContact CD2-CE1 4.44Å; F115-L128 HydrophobicContact CE2-CD2 4.1Å; F115-L142 HydrophobicContact CE2-CD1 4.27Å; F115-L142 HydrophobicContact CZ-CD1 4.44Å; F115-I150 HydrophobicContact CD1-CG2 3.84Å; F115-I150 HydrophobicContact CD2-CG2 3.87Å; F115-I150 HydrophobicContact CE1-CG2 3.93Å; F115-I150 HydrophobicContact CE2-CG2 3.91Å; F115-I150 HydrophobicContact CG-CG2 3.85Å; F115-I150 HydrophobicContact CZ-CG2 3.97Å; F115-I151 PolarHBondContact N-O 2.8Å; F115-C152 HydrophobicContact CB-CB 3.74Å; F115-C152 CarbonylContact O-C 3.4Å; F115-C152 WeakPolarHBondContact O-CA 3.46Å; F115-T153 PolarHBondContact O-N 3.24Å; F115-F255 HydrophobicContact CD2-CD2 4.11Å; F115-F255 HydrophobicContact CD2-CE2 4.42Å; F115-F255 HydrophobicContact CD2-CG 4.48Å; F115-F255 HydrophobicContact CE2-CD2 4.47Å
116I98.5Very high98.3Very high0 Ų036.2 Ų36.20%017%0.167CC..EExtended strand (participates in β ladder)trans-127.2118.5179.3-55.6-176.4000108.2L18 V19 L20 F21 T153 T155 L248L18-I116 HydrophobicContact CB-CD1 3.82Å; L18-I116 HydrophobicContact CD1-CD1 3.98Å; L18-I116 HydrophobicContact CD2-CD1 4.1Å; L18-I116 HydrophobicContact CG-CD1 4.16Å; V19-I116 PolarHBondContact O-N 2.93Å; L20-I116 CarbonylContact C-O 3.59Å; L20-I116 WeakPolarHBondContact CA-O 3.36Å; L20-I116 HydrophobicContact CD1-CB 4.41Å; L20-I116 HydrophobicContact CD1-CD1 4.13Å; F21-I116 PolarHBondContact N-O 2.93Å; I116-T153 HydrophobicContact CB-CG2 4.45Å; I116-T153 HydrophobicContact CG1-CG2 3.83Å; I116-T155 HydrophobicContact CG2-CG2 3.2Å; I116-L248 HydrophobicContact CD1-CD1 3.68Å; I116-L248 HydrophobicContact CD1-CD2 4.08Å; I116-L248 HydrophobicContact CG1-CD2 4.4Å
117A98.7Very high98.3Very high0 Ų036.2 Ų36.20%017%0.167CC..EExtended strand (participates in β ladder)trans-138.1154.3177.300000110.9F21 D124 F125 T153 D154 T155F21-A117 HydrophobicContact CB-CB 4.41Å; F21-A117 HydrophobicContact CD1-CB 4.39Å; F21-A117 WeakPolarHBondContact O-CA 3.26Å; F21-A117 WeakPolarHBondContact O-CB 3.33Å; A117-D124 HydrophobicContact CB-CB 3.97Å; A117-F125 HydrophobicContact CB-CD1 4.45Å; A117-F125 HydrophobicContact CB-CE1 3.57Å; A117-F125 HydrophobicContact CB-CE2 4.23Å; A117-F125 HydrophobicContact CB-CZ 3.46Å; A117-F125 VanDerWaalsContact CB-CZ 3.46Å; A117-T153 PolarHBondContact N-O 2.96Å; A117-D154 WeakPolarHBondContact O-CA 3.38Å; A117-T155 PolarHBondContact O-N 3.18Å
118H98.6Very high98.3Very high28 Ų2832.8 Ų32.813%0.1315%0.149CC..THydrogen-bonded Turntrans-89.5115.3-178.7-171.171.1000111.1G120 T155 F159 F206 L208 M233H118-G120 PolarHBondContact O-N 2.84Å; H118-T155 WeakPolarHBondContact CA-OG1 3.48Å; H118-T155 VanDerWaalsContact CB-OG1 3.31Å; H118-T155 WeakPolarHBondContact CB-OG1 3.38Å; H118-T155 PolarHBondContact ND1-OG1 3.07Å; H118-F159 AromaticContact CE1-CD2 3.79Å; H118-F159 AromaticContact ND1-CD2 3.75Å; H118-F159 AromaticContact ND1-CE2 3.68Å; H118-F206 PolarHBondContact CE1-O 2.86Å; H118-F206 PolarHBondContact NE2-O 2.94Å; H118-L208 PolarHBondContact NE2-N 2.85Å; H118-M233 HydrophobicContact CB-CG 4.31Å; H118-M233 HydrophobicContact CB-SD 3.7Å; H118-M233 PolarHBondContact N-SD 3.38Å
119N98.2Very high98.2Very high42 Ų4223.7 Ų23.723%0.22511%0.114CC..THydrogen-bonded Turntrans60.723.1-166.6-174.863.6000112.6L121 R122 F123 D154 L156N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 2.66Å; N119-R122 PolarHBondContact O-N 2.63Å; N119-R122 WeakPolarHBondContact OD1-CD 3.27Å; N119-F123 PolarHBondContact O-N 2.91Å; N119-D154 WeakPolarHBondContact CA-OD1 3.48Å; N119-D154 VanDerWaalsContact CA-OD2 3.23Å; N119-D154 WeakPolarHBondContact CA-OD2 3.47Å; N119-D154 PolarHBondContact N-OD1 2.84Å; N119-L156 HydrophobicContact CB-CB 4.47Å; N119-L156 HydrophobicContact CB-CD2 4.09Å
120G98.4Very high98.2Very high0 Ų023.5 Ų23.50%011%0.113CC..G310 helixtrans-62.4-31.2-173.600000115.3H118 R122 F123 D124 F125 P126 D154H118-G120 PolarHBondContact O-N 2.84Å; G120-R122 PolarHBondContact O-N 2.79Å; G120-F123 PolarHBondContact O-N 2.9Å; G120-D124 WeakPolarHBondContact CA-OD2 3.38Å; G120-D124 PolarHBondContact O-N 3.22Å; G120-F125 WeakPolarHBondContact O-CD2 3.38Å; G120-F125 PolarHBondContact O-N 2.92Å; G120-P126 WeakPolarHBondContact O-CD 3.47Å; G120-D154 PolarHBondContact N-OD2 2.81Å; G120-D154 VanDerWaalsContact N-OD2 3.14Å
121L97.8Very high98.1Very high37 Ų3719 Ų1919%0.1949%0.089CC..G310 helixtrans-68.1-17177.7-72.1172.4000112.8L6 N119 F125 P126 D154 I253 L258L6-L121 HydrophobicContact CD1-CD1 3.96Å; N119-L121 VanDerWaalsContact C-N 3.32Å; N119-L121 PolarHBondContact O-N 2.66Å; L121-F125 HydrophobicContact CD2-CD2 4.09Å; L121-F125 HydrophobicContact CD2-CE2 4.5Å; L121-F125 HydrophobicContact CG-CD2 4.41Å; L121-P126 WeakPolarHBondContact O-CG 3.5Å; L121-D154 HydrophobicContact CB-CB 4.36Å; L121-D154 HydrophobicContact CD1-CB 3.67Å; L121-D154 HydrophobicContact CG-CB 3.8Å; L121-D154 PolarHBondContact N-OD2 3.13Å; L121-D154 VanDerWaalsContact N-OD2 3.09Å; L121-I253 HydrophobicContact CD2-CD1 3.22Å; L121-I253 HydrophobicContact CD2-CG1 3.87Å; L121-L258 HydrophobicContact CD2-CD2 4.2Å
122R97.1Very high98.1Very high168 Ų16818.3 Ų18.363%0.6348%0.084SC*.G310 helixtrans-108.3-10179.6-67.9-177.360.7-144.5-0.9113.5N119 G120N119-R122 PolarHBondContact O-N 2.63Å; N119-R122 WeakPolarHBondContact OD1-CD 3.27Å; G120-R122 PolarHBondContact O-N 2.79Å
123F98.2Very high98Very high33 Ų3318.3 Ų18.315%0.1458%0.082CC..THydrogen-bonded Turntrans-139.6-80.2-172.4-167.9-106.6000111.9V23 T25 L28 N119 G120 F125 P126 L127 M261V23-F123 HydrophobicContact CG2-CD1 4.44Å; V23-F123 HydrophobicContact CG2-CE1 4.17Å; T25-F123 HydrophobicContact CG2-CE1 3.91Å; T25-F123 HydrophobicContact CG2-CZ 3.76Å; L28-F123 HydrophobicContact CD2-CE2 3.92Å; L28-F123 HydrophobicContact CD2-CZ 4.34Å; N119-F123 PolarHBondContact O-N 2.91Å; G120-F123 PolarHBondContact O-N 2.9Å; F123-F125 PolarHBondContact O-N 3.44Å; F123-P126 WeakPolarHBondContact O-CD 3.42Å; F123-L127 VanDerWaalsContact O-CB 3.27Å; F123-L127 WeakPolarHBondContact O-CB 3.49Å; F123-L127 PolarHBondContact O-N 2.94Å; F123-M261 HydrophobicContact CD2-CE 3.77Å; F123-M261 HydrophobicContact CE2-CE 4.22Å; F123-M261 HydrophobicContact CG-CE 4.36Å; F123-M261 VanDerWaalsContact O-CE 3.25Å; F123-M261 WeakPolarHBondContact O-CE 3.39Å
124D98.7Very high97.7Very high4 Ų419.7 Ų19.72%0.0219%0.091CC..Hα-helixtrans-54.3-53.9-170.2-56.5-103.1000112.9F21 V23 A117 G120 L127 L128F21-D124 HydrophobicContact CD1-CB 3.89Å; F21-D124 HydrophobicContact CE1-CB 3.88Å; V23-D124 HydrophobicContact CG2-CB 4.3Å; V23-D124 WeakPolarHBondContact CG2-OD1 3.47Å; V23-D124 PolarHBondContact N-OD1 3.07Å; A117-D124 HydrophobicContact CB-CB 3.97Å; G120-D124 WeakPolarHBondContact CA-OD2 3.38Å; G120-D124 PolarHBondContact O-N 3.22Å; D124-L127 PolarHBondContact O-N 2.85Å; D124-L128 WeakPolarHBondContact O-CB 3.14Å; D124-L128 PolarHBondContact O-N 3.44Å
125F98.6Very high97.5Very high0 Ų021 Ų210%010%0.1CC..Hα-helixtrans-72.3-45.9-173.8-49-42.6000112.7F21 F115 A117 G120 L121 F123 L127 L128 R129 C152 T153 F255 L258F21-F125 HydrophobicContact CB-CE1 4.4Å; F21-F125 HydrophobicContact CD1-CD1 4.38Å; F21-F125 HydrophobicContact CD1-CE1 4.21Å; F21-F125 HydrophobicContact CG-CE1 4.47Å; F115-F125 HydrophobicContact CB-CD1 4.5Å; F115-F125 HydrophobicContact CB-CE1 3.69Å; F115-F125 HydrophobicContact CB-CZ 4.01Å; F115-F125 HydrophobicContact CD2-CE1 4.44Å; A117-F125 HydrophobicContact CB-CD1 4.45Å; A117-F125 HydrophobicContact CB-CE1 3.57Å; A117-F125 HydrophobicContact CB-CE2 4.23Å; A117-F125 HydrophobicContact CB-CZ 3.46Å; A117-F125 VanDerWaalsContact CB-CZ 3.46Å; G120-F125 WeakPolarHBondContact O-CD2 3.38Å; G120-F125 PolarHBondContact O-N 2.92Å; L121-F125 HydrophobicContact CD2-CD2 4.09Å; L121-F125 HydrophobicContact CD2-CE2 4.5Å; L121-F125 HydrophobicContact CG-CD2 4.41Å; F123-F125 PolarHBondContact O-N 3.44Å; F125-L127 VanDerWaalsContact C-N 3.28Å; F125-L127 PolarHBondContact O-N 3.36Å; F125-L128 PolarHBondContact O-N 2.93Å; F125-R129 VanDerWaalsContact O-CB 3.31Å; F125-R129 WeakPolarHBondContact O-CB 3.27Å; F125-R129 PolarHBondContact O-N 3.37Å; F125-C152 HydrophobicContact CD1-CB 4.46Å; F125-C152 HydrophobicContact CD2-CB 3.95Å; F125-C152 HydrophobicContact CE1-CB 4.22Å; F125-C152 HydrophobicContact CE2-CB 3.68Å; F125-C152 HydrophobicContact CG-CB 4.33Å; F125-C152 HydrophobicContact CZ-CB 3.8Å; F125-T153 VanDerWaalsContact CE2-O 3.28Å; F125-T153 WeakPolarHBondContact CE2-O 3.13Å; F125-T153 WeakPolarHBondContact CZ-O 3.23Å; F125-F255 HydrophobicContact CB-CD2 4.07Å; F125-F255 HydrophobicContact CB-CE2 3.88Å; F125-F255 HydrophobicContact CD1-CD2 4.49Å; F125-F255 HydrophobicContact CD1-CE2 4.43Å; F125-F255 HydrophobicContact CG-CD2 4.44Å; F125-F255 HydrophobicContact CG-CE2 4.5Å; F125-L258 HydrophobicContact CB-CD1 3.34Å; F125-L258 HydrophobicContact CD2-CD1 4.35Å; F125-L258 HydrophobicContact CG-CD1 4.22Å
126P98.4Very high97.3Very high13 Ų1324.4 Ų24.48%0.08411%0.114CC..Hα-helixtrans-58-37.6171-27.236.5000113.7G120 L121 F123 A130 M261G120-P126 WeakPolarHBondContact O-CD 3.47Å; L121-P126 WeakPolarHBondContact O-CG 3.5Å; F123-P126 WeakPolarHBondContact O-CD 3.42Å; P126-A130 WeakPolarHBondContact O-CB 3.37Å; P126-A130 PolarHBondContact O-N 2.73Å; P126-M261 HydrophobicContact CB-CB 3.95Å; P126-M261 PolarHBondContact O-N 3.39Å
127L98.3Very high97.1Very high0 Ų025.6 Ų25.60%013%0.126CC..Hα-helixtrans-67.4-50.1177.717755.6000111.1V23 T25 P35 I37 F123 D124 F125 R129 A130 Q131 M261 Y262V23-L127 HydrophobicContact CG2-CD2 4.2Å; T25-L127 HydrophobicContact CG2-CD2 3.37Å; P35-L127 HydrophobicContact CG-CD1 4.3Å; P35-L127 VanDerWaalsContact O-CD1 3.22Å; P35-L127 WeakPolarHBondContact O-CD1 3.42Å; I37-L127 HydrophobicContact CD1-CG 4.34Å; I37-L127 HydrophobicContact CG1-CD2 3.82Å; I37-L127 HydrophobicContact CG1-CG 3.91Å; F123-L127 VanDerWaalsContact O-CB 3.27Å; F123-L127 WeakPolarHBondContact O-CB 3.49Å; F123-L127 PolarHBondContact O-N 2.94Å; D124-L127 PolarHBondContact O-N 2.85Å; F125-L127 VanDerWaalsContact C-N 3.28Å; F125-L127 PolarHBondContact O-N 3.36Å; L127-R129 PolarHBondContact O-N 3.37Å; L127-A130 WeakPolarHBondContact O-CB 3.45Å; L127-A130 PolarHBondContact O-N 3.43Å; L127-A130 VanDerWaalsContact O-N 3.1Å; L127-Q131 HydrophobicContact CD1-CG 4.11Å; L127-Q131 WeakPolarHBondContact O-CG 3.42Å; L127-Q131 PolarHBondContact O-N 2.89Å; L127-M261 HydrophobicContact CB-CE 3.71Å; L127-M261 HydrophobicContact CB-SD 4.17Å; L127-M261 HydrophobicContact CD1-SD 4.19Å; L127-Y262 HydrophobicContact CD1-CE1 3.8Å
128L98.4Very high96.8Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-56.4-42.8175.7179.963.8000110.7F21 I37 F94 I102 F115 D124 F125 A130 Q131 I132 F255F21-L128 HydrophobicContact CE1-CD2 4.44Å; F21-L128 HydrophobicContact CE2-CD2 3.79Å; F21-L128 HydrophobicContact CZ-CB 4.23Å; F21-L128 HydrophobicContact CZ-CD1 4.28Å; F21-L128 HydrophobicContact CZ-CD2 3.69Å; F21-L128 HydrophobicContact CZ-CG 4.27Å; I37-L128 HydrophobicContact CD1-CD1 4.34Å; F94-L128 HydrophobicContact CE2-CD1 4.22Å; F94-L128 HydrophobicContact CZ-CD1 4.06Å; I102-L128 HydrophobicContact CD1-CD1 4.36Å; F115-L128 HydrophobicContact CE2-CD2 4.1Å; D124-L128 WeakPolarHBondContact O-CB 3.14Å; D124-L128 PolarHBondContact O-N 3.44Å; F125-L128 PolarHBondContact O-N 2.93Å; L128-A130 PolarHBondContact O-N 2.98Å; L128-Q131 PolarHBondContact O-N 3.16Å; L128-I132 HydrophobicContact CD1-CD1 3.92Å; L128-I132 HydrophobicContact CD1-CG1 4.18Å; L128-I132 HydrophobicContact CD2-CD1 4.34Å; L128-I132 HydrophobicContact CG-CD1 3.74Å; L128-I132 HydrophobicContact CG-CG1 4.39Å; L128-I132 WeakPolarHBondContact O-CB 3.32Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.48Å; L128-I132 PolarHBondContact O-N 3.22Å; L128-F255 HydrophobicContact CB-CE2 4.45Å; L128-F255 HydrophobicContact CB-CZ 4.22Å; L128-F255 HydrophobicContact CD2-CE2 3.95Å; L128-F255 HydrophobicContact CD2-CZ 3.66Å; L128-F255 HydrophobicContact CG-CE2 4.42Å; L128-F255 HydrophobicContact CG-CZ 3.87Å
129R97.9Very high96.6Very high13 Ų1337.4 Ų37.45%0.04918%0.184CC..Hα-helixtrans-59.7-46.3176-170.266.5-180148.7-2.5111.5F125 L127 M133 Y140 N141 F255 N256 P260F125-R129 VanDerWaalsContact O-CB 3.31Å; F125-R129 WeakPolarHBondContact O-CB 3.27Å; F125-R129 PolarHBondContact O-N 3.37Å; L127-R129 PolarHBondContact O-N 3.37Å; R129-M133 HydrophobicContact CG-SD 3.82Å; R129-M133 WeakPolarHBondContact O-CB 3.34Å; R129-M133 WeakPolarHBondContact O-CG 3.34Å; R129-M133 PolarHBondContact O-N 3.04Å; R129-Y140 PolarHBondContact NH1-O 3.33Å; R129-Y140 PolarHBondContact NH2-O 2.8Å; R129-N141 PolarHBondContact NH2-OD1 3.3Å; R129-F255 HydrophobicContact CB-CZ 4.34Å; R129-N256 PolarHBondContact NH2-O 3.17Å; R129-P260 HydrophobicContact CB-CB 4.4Å; R129-P260 HydrophobicContact CG-CB 4.16Å
130A97.1Very high96.5Very high2 Ų237.7 Ų37.72%0.01718%0.182CC..Hα-helixtrans-61.3-44.2177.700000112.4P126 L127 L128 M133 S134 P260 M261 Y262P126-A130 WeakPolarHBondContact O-CB 3.37Å; P126-A130 PolarHBondContact O-N 2.73Å; L127-A130 WeakPolarHBondContact O-CB 3.45Å; L127-A130 PolarHBondContact O-N 3.43Å; L127-A130 VanDerWaalsContact O-N 3.1Å; L128-A130 PolarHBondContact O-N 2.98Å; A130-M133 PolarHBondContact O-N 2.65Å; A130-S134 WeakPolarHBondContact O-CB 3.42Å; A130-S134 PolarHBondContact O-N 3.3Å; A130-P260 HydrophobicContact CB-CB 3.86Å; A130-M261 HydrophobicContact CB-CB 4.38Å; A130-Y262 HydrophobicContact CB-CD1 4.36Å; A130-Y262 HydrophobicContact CB-CD2 4Å; A130-Y262 HydrophobicContact CB-CE1 4.14Å; A130-Y262 HydrophobicContact CB-CE2 3.74Å; A130-Y262 HydrophobicContact CB-CG 4.29Å; A130-Y262 WeakPolarHBondContact CB-O 3.42Å
131Q96.4Very high96.5Very high10 Ų1041.1 Ų41.15%0.04720%0.2CC..Hα-helixtrans-63.4-49.2178.3-71.4-75.2-14.600111.8I37 F94 L127 L128 M133 S134 V135 Y262I37-Q131 HydrophobicContact CD1-CB 4.28Å; I37-Q131 HydrophobicContact CD1-CG 3.82Å; I37-Q131 HydrophobicContact CG1-CG 4.03Å; F94-Q131 HydrophobicContact CD1-CB 3.87Å; F94-Q131 HydrophobicContact CD2-CB 4.4Å; F94-Q131 HydrophobicContact CE1-CB 3.69Å; F94-Q131 HydrophobicContact CE2-CB 4.23Å; F94-Q131 HydrophobicContact CG-CB 4.24Å; F94-Q131 HydrophobicContact CZ-CB 3.89Å; L127-Q131 HydrophobicContact CD1-CG 4.11Å; L127-Q131 WeakPolarHBondContact O-CG 3.42Å; L127-Q131 PolarHBondContact O-N 2.89Å; L128-Q131 PolarHBondContact O-N 3.16Å; Q131-M133 PolarHBondContact O-N 2.92Å; Q131-S134 WeakPolarHBondContact O-CB 3.25Å; Q131-S134 PolarHBondContact O-N 3.24Å; Q131-S134 VanDerWaalsContact O-N 3.17Å; Q131-S134 PolarHBondContact O-OG 3.23Å; Q131-V135 PolarHBondContact O-N 2.92Å; Q131-Y262 PolarHBondContact NE2-OH 3.48Å
132I97Very high96.5Very high0 Ų039.4 Ų39.40%019%0.191CC..Hα-helixtrans-57-50175.5-71.2168.7000111F94 V99 L128 S134 V135 K136 Y140 L142 F255F94-I132 HydrophobicContact CE1-CG1 4.45Å; F94-I132 HydrophobicContact CZ-CG1 4.24Å; V99-I132 HydrophobicContact CG1-CG1 4.23Å; V99-I132 HydrophobicContact CG1-CG2 4.21Å; V99-I132 HydrophobicContact CG2-CG1 4.02Å; L128-I132 HydrophobicContact CD1-CD1 3.92Å; L128-I132 HydrophobicContact CD1-CG1 4.18Å; L128-I132 HydrophobicContact CD2-CD1 4.34Å; L128-I132 HydrophobicContact CG-CD1 3.74Å; L128-I132 HydrophobicContact CG-CG1 4.39Å; L128-I132 WeakPolarHBondContact O-CB 3.32Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.48Å; L128-I132 PolarHBondContact O-N 3.22Å; I132-S134 PolarHBondContact O-N 2.76Å; I132-V135 PolarHBondContact O-N 3.09Å; I132-V135 VanDerWaalsContact O-N 3.16Å; I132-K136 PolarHBondContact O-N 2.82Å; I132-Y140 HydrophobicContact CG2-CD1 3.52Å; I132-Y140 HydrophobicContact CG2-CE1 4.2Å; I132-Y140 HydrophobicContact CG2-CG 4.37Å; I132-L142 HydrophobicContact CD1-CD1 3.58Å; I132-L142 HydrophobicContact CD1-CD2 4.48Å; I132-L142 HydrophobicContact CD1-CG 3.97Å; I132-F255 HydrophobicContact CD1-CE1 4.21Å; I132-F255 HydrophobicContact CD1-CZ 4.29Å
133M95.7Very high96.6Very high34 Ų3432.8 Ų32.817%0.16717%0.169CC..Hα-helixtrans-62.2-30.6-178.6-71172.773.100112.1R129 A130 Q131 V135 G137 K138 P260R129-M133 HydrophobicContact CG-SD 3.82Å; R129-M133 WeakPolarHBondContact O-CB 3.34Å; R129-M133 WeakPolarHBondContact O-CG 3.34Å; R129-M133 PolarHBondContact O-N 3.04Å; A130-M133 PolarHBondContact O-N 2.65Å; Q131-M133 PolarHBondContact O-N 2.92Å; M133-V135 VanDerWaalsContact C-N 3.32Å; M133-V135 PolarHBondContact O-N 3.34Å; M133-G137 CarbonylContact O-C 3.57Å; M133-G137 WeakPolarHBondContact O-CA 3.27Å; M133-G137 PolarHBondContact O-N 3.08Å; M133-K138 HydrophobicContact CE-CB 3.61Å; M133-P260 HydrophobicContact CE-CG 4.1Å; M133-P260 HydrophobicContact SD-CB 3.78Å; M133-P260 HydrophobicContact SD-CG 3.72Å
134S93.4Very high96.6Very high29 Ų2931.6 Ų31.620%0.20316%0.163CC..Hα-helixtrans-70.4-25.3179.179.80000114.3A130 Q131 I132A130-S134 WeakPolarHBondContact O-CB 3.42Å; A130-S134 PolarHBondContact O-N 3.3Å; Q131-S134 WeakPolarHBondContact O-CB 3.25Å; Q131-S134 PolarHBondContact O-N 3.24Å; Q131-S134 VanDerWaalsContact O-N 3.17Å; Q131-S134 PolarHBondContact O-OG 3.23Å; I132-S134 PolarHBondContact O-N 2.76Å
135V93.6Very high96.5Very high29 Ų2934.3 Ų34.318%0.17618%0.183CC..Hα-helixtrans-113.7-25.7-175.3-57.50000114.2F94 V99 Q131 I132 M133F94-V135 HydrophobicContact CD1-CG2 4.25Å; F94-V135 HydrophobicContact CE1-CG2 4.13Å; F94-V135 WeakPolarHBondContact O-CG1 3.49Å; V99-V135 HydrophobicContact CG2-CG2 3.57Å; Q131-V135 PolarHBondContact O-N 2.92Å; I132-V135 PolarHBondContact O-N 3.09Å; I132-V135 VanDerWaalsContact O-N 3.16Å; M133-V135 VanDerWaalsContact C-N 3.32Å; M133-V135 PolarHBondContact O-N 3.34Å
136K94.8Very high96.5Very high70 Ų7038.9 Ų38.930%0.30421%0.211SC..Hα-helixtrans-109.9-8.2175.9-58.4-64.5-72.4-160.40113.9A96 V99 D100 I132 Y140A96-K136 HydrophobicContact CB-CD 3.82Å; V99-K136 HydrophobicContact CB-CD 4.18Å; V99-K136 HydrophobicContact CB-CG 3.85Å; V99-K136 HydrophobicContact CG1-CD 4.39Å; V99-K136 HydrophobicContact CG1-CG 3.75Å; V99-K136 HydrophobicContact CG2-CG 4Å; D100-K136 IonicContact OD1-NZ 3.52Å; D100-K136 PolarHBondContact OD1-NZ 3.28Å; D100-K136 IonicContact OD2-NZ 3.21Å; I132-K136 PolarHBondContact O-N 2.82Å; K136-Y140 HydrophobicContact CB-CD1 4Å; K136-Y140 HydrophobicContact CB-CD2 3.65Å; K136-Y140 HydrophobicContact CB-CE2 4.36Å; K136-Y140 HydrophobicContact CB-CG 3.43Å; K136-Y140 VanDerWaalsContact CB-CG 3.43Å; K136-Y140 HydrophobicContact CD-CD2 4.46Å; K136-Y140 HydrophobicContact CD-CE2 4.39Å; K136-Y140 HydrophobicContact CG-CD1 4.15Å; K136-Y140 HydrophobicContact CG-CD2 4Å; K136-Y140 HydrophobicContact CG-CE1 4.33Å; K136-Y140 HydrophobicContact CG-CE2 4.21Å; K136-Y140 HydrophobicContact CG-CG 3.96Å
137G93.5Very high96.4Very high25 Ų2544.1 Ų44.126%0.25824%0.238SC..  trans91162-176.200000113.6M133 D139 Y140M133-G137 CarbonylContact O-C 3.57Å; M133-G137 WeakPolarHBondContact O-CA 3.27Å; M133-G137 PolarHBondContact O-N 3.08Å; G137-D139 PolarHBondContact O-N 2.9Å; G137-D139 VanDerWaalsContact O-N 3.17Å; G137-Y140 PolarHBondContact O-N 3.29Å
138K92.7Very high96.4Very high145 Ų14545.8 Ų45.863%0.6325%0.252SS*.THydrogen-bonded Turntrans-61.1-24.9-172.664.8174.9-173.3175.90115.2M133M133-K138 HydrophobicContact CE-CB 3.61Å
139D93.6Very high96.3Very high131 Ų13148.5 Ų48.570%0.70127%0.27SS*.THydrogen-bonded Turntrans-95.6-1.8-173.6-56.4-51.3000112.5G137G137-D139 PolarHBondContact O-N 2.9Å; G137-D139 VanDerWaalsContact O-N 3.17Å
140Y96.9Very high96.4Very high49 Ų4947.9 Ų47.919%0.19227%0.268CS..  trans-71.9133.2177.3-172.4-89.5000110.6V99 R129 I132 K136 G137 L142V99-Y140 HydrophobicContact CG1-CD1 4.1Å; V99-Y140 HydrophobicContact CG1-CE1 3.36Å; R129-Y140 PolarHBondContact NH1-O 3.33Å; R129-Y140 PolarHBondContact NH2-O 2.8Å; I132-Y140 HydrophobicContact CG2-CD1 3.52Å; I132-Y140 HydrophobicContact CG2-CE1 4.2Å; I132-Y140 HydrophobicContact CG2-CG 4.37Å; K136-Y140 HydrophobicContact CB-CD1 4Å; K136-Y140 HydrophobicContact CB-CD2 3.65Å; K136-Y140 HydrophobicContact CB-CE2 4.36Å; K136-Y140 HydrophobicContact CB-CG 3.43Å; K136-Y140 VanDerWaalsContact CB-CG 3.43Å; K136-Y140 HydrophobicContact CD-CD2 4.46Å; K136-Y140 HydrophobicContact CD-CE2 4.39Å; K136-Y140 HydrophobicContact CG-CD1 4.15Å; K136-Y140 HydrophobicContact CG-CD2 4Å; K136-Y140 HydrophobicContact CG-CE1 4.33Å; K136-Y140 HydrophobicContact CG-CE2 4.21Å; K136-Y140 HydrophobicContact CG-CG 3.96Å; G137-Y140 PolarHBondContact O-N 3.29Å; Y140-L142 HydrophobicContact CE1-CD2 3.91Å
141N97.9Very high96.4Very high72 Ų7248.5 Ų48.539%0.38527%0.27SS..  trans-124.1139.6-179.2-73.4-23.3000110.3R129 N256R129-N141 PolarHBondContact NH2-OD1 3.3Å; N141-N256 VanDerWaalsContact CA-OD1 3.31Å; N141-N256 WeakPolarHBondContact CA-OD1 3.36Å; N141-N256 HydrophobicContact CB-CB 4.34Å; N141-N256 WeakPolarHBondContact OD1-CB 3.43Å
142L98.5Very high96.5Very high0 Ų048 Ų480%027%0.268CS..  trans-84.5127.9167.1-69.3-179.8000109.2V99 I102 Q103 L106 F115 I132 Y140 I150 F255 N256V99-L142 HydrophobicContact CG1-CD2 4.43Å; I102-L142 HydrophobicContact CG2-CD1 4.06Å; I102-L142 HydrophobicContact CG2-CD2 4.13Å; Q103-L142 HydrophobicContact CB-CD2 4.37Å; L106-L142 HydrophobicContact CD1-CB 4.09Å; L106-L142 HydrophobicContact CD1-CD1 4.21Å; L106-L142 HydrophobicContact CD1-CD2 4.1Å; L106-L142 HydrophobicContact CD1-CG 4.37Å; F115-L142 HydrophobicContact CE2-CD1 4.27Å; F115-L142 HydrophobicContact CZ-CD1 4.44Å; I132-L142 HydrophobicContact CD1-CD1 3.58Å; I132-L142 HydrophobicContact CD1-CD2 4.48Å; I132-L142 HydrophobicContact CD1-CG 3.97Å; Y140-L142 HydrophobicContact CE1-CD2 3.91Å; L142-I150 HydrophobicContact CB-CG1 3.98Å; L142-I150 PolarHBondContact O-N 3.04Å; L142-F255 HydrophobicContact CB-CD1 4.41Å; L142-F255 HydrophobicContact CD1-CD1 4.33Å; L142-F255 HydrophobicContact CD1-CE1 3.8Å; L142-F255 HydrophobicContact CD1-CZ 4.43Å; L142-F255 HydrophobicContact CG-CE1 4.32Å; L142-N256 PolarHBondContact N-OD1 3.04Å; L142-N256 PolarHBondContact O-ND2 3.44Å
143N98.4Very high96.5Very high30 Ų3048.2 Ų48.216%0.1627%0.269CS..BIsolated β-bridgetrans-126160.3178.5-62.9-24.1000110.8Q103 N147 A148Q103-N143 PolarHBondContact NE2-O 3.03Å; N143-N147 PolarHBondContact ND2-OD1 3.09Å; N143-A148 CarbonylContact C-O 3.53Å; N143-A148 WeakPolarHBondContact CA-O 3.36Å; N143-A148 WeakPolarHBondContact CB-O 3.3Å
144D98.1Very high96.7Very high7 Ų746.9 Ų46.94%0.03726%0.263CS..  trans-82.2-176.4171.968.822.2000112.4S111 V113 T146 N147 A148 I150S111-D144 WeakPolarHBondContact CB-OD2 3.42Å; S111-D144 VanDerWaalsContact OG-CB 3.29Å; S111-D144 WeakPolarHBondContact OG-CB 3.39Å; S111-D144 PolarHBondContact OG-OD1 3.12Å; S111-D144 PolarHBondContact OG-OD2 2.82Å; V113-D144 HydrophobicContact CB-CB 4.34Å; V113-D144 HydrophobicContact CG2-CB 3.91Å; D144-T146 PolarHBondContact O-N 3.35Å; D144-T146 VanDerWaalsContact O-N 3.13Å; D144-T146 WeakPolarHBondContact OD1-CA 3.35Å; D144-T146 WeakPolarHBondContact OD1-CB 3.33Å; D144-T146 PolarHBondContact OD1-N 3.38Å; D144-T146 PolarHBondContact OD1-OG1 3.48Å; D144-N147 PolarHBondContact O-N 2.8Å; D144-N147 PolarHBondContact OD1-N 3Å; D144-A148 PolarHBondContact N-O 3.49Å; D144-A148 PolarHBondContact OD1-N 3.47Å; D144-I150 HydrophobicContact CB-CD1 3.89Å
145S97.8Very high96.9Very high61 Ų6145.5 Ų45.543%0.42725%0.253SS..THydrogen-bonded Turntrans-63.8-15.3-179.154.50000114.1N107 L109 S111N107-S145 WeakPolarHBondContact O-CB 3.43Å; L109-S145 PolarHBondContact O-OG 2.96Å; L109-S145 VanDerWaalsContact O-OG 3.07Å; S111-S145 PolarHBondContact OG-N 3.28Å; S111-S145 PolarHBondContact OG-OG 3.15Å
146T97.8Very high97.1Very high96 Ų9645.2 Ų45.259%0.58925%0.25SS*.THydrogen-bonded Turntrans-97.56.5174.769.70000113.1D144 A148D144-T146 PolarHBondContact O-N 3.35Å; D144-T146 VanDerWaalsContact O-N 3.13Å; D144-T146 WeakPolarHBondContact OD1-CA 3.35Å; D144-T146 WeakPolarHBondContact OD1-CB 3.33Å; D144-T146 PolarHBondContact OD1-N 3.38Å; D144-T146 PolarHBondContact OD1-OG1 3.48Å; T146-A148 PolarHBondContact O-N 2.97Å
147N97.6Very high97.2Very high123 Ų12343.9 Ų43.966%0.65825%0.249SC*.SBendtrans63.419.7-172.9-164.951.1000113.6N143 D144N143-N147 PolarHBondContact ND2-OD1 3.09Å; D144-N147 PolarHBondContact O-N 2.8Å; D144-N147 PolarHBondContact OD1-N 3Å
148A97.2Very high97.4Very high36 Ų3642.7 Ų42.730%0.29824%0.237SC..PPolyproline II helixtrans-83.3151.817100000110.4N143 D144 T146 I150N143-A148 CarbonylContact C-O 3.53Å; N143-A148 WeakPolarHBondContact CA-O 3.36Å; N143-A148 WeakPolarHBondContact CB-O 3.3Å; D144-A148 PolarHBondContact N-O 3.49Å; D144-A148 PolarHBondContact OD1-N 3.47Å; T146-A148 PolarHBondContact O-N 2.97Å; A148-I150 PolarHBondContact O-N 3.19Å
149P97.4Very high97.7Very high57 Ų5735.8 Ų35.837%0.3721%0.207SC..BIsolated β-bridgetrans-62.1137.8178.7-21.532.8000111.7I151 N254P149-I151 PolarHBondContact O-N 3.12Å; P149-N254 WeakPolarHBondContact CB-ND2 3.47Å; P149-N254 WeakPolarHBondContact CB-OD1 3.32Å
150I98.4Very high97.8Very high0 Ų036 Ų360%020%0.197CC..PPolyproline II helixtrans-60.5133.5167.6-57.7-60.3000109L106 V113 F115 L142 D144 A148 F255L106-I150 HydrophobicContact CD1-CD1 4Å; L106-I150 HydrophobicContact CD1-CG1 3.89Å; L106-I150 HydrophobicContact CD2-CD1 3.97Å; L106-I150 HydrophobicContact CG-CD1 4.39Å; V113-I150 HydrophobicContact CB-CD1 3.86Å; V113-I150 HydrophobicContact CG1-CD1 4.14Å; F115-I150 HydrophobicContact CD1-CG2 3.84Å; F115-I150 HydrophobicContact CD2-CG2 3.87Å; F115-I150 HydrophobicContact CE1-CG2 3.93Å; F115-I150 HydrophobicContact CE2-CG2 3.91Å; F115-I150 HydrophobicContact CG-CG2 3.85Å; F115-I150 HydrophobicContact CZ-CG2 3.97Å; L142-I150 HydrophobicContact CB-CG1 3.98Å; L142-I150 PolarHBondContact O-N 3.04Å; D144-I150 HydrophobicContact CB-CD1 3.89Å; A148-I150 PolarHBondContact O-N 3.19Å; I150-F255 HydrophobicContact CB-CB 4.34Å; I150-F255 HydrophobicContact CG2-CB 4.41Å; I150-F255 WeakPolarHBondContact O-CB 3.48Å; I150-F255 PolarHBondContact O-N 3.12Å
151I98Very high97.8Very high15 Ų1539.2 Ų39.28%0.07721%0.214CC..EExtended strand (participates in β ladder)trans-100.3159.1172.154.8162000110L13 L15 V113 C114 F115 P149 Y252 I253L13-I151 HydrophobicContact CD2-CD1 3.48Å; L13-I151 VanDerWaalsContact CD2-CD1 3.48Å; L13-I151 HydrophobicContact CD2-CG1 4.49Å; L15-I151 HydrophobicContact CD2-CD1 3.24Å; L15-I151 HydrophobicContact CD2-CG1 4.41Å; V113-I151 VanDerWaalsContact O-CG1 3.23Å; V113-I151 WeakPolarHBondContact O-CG1 3.34Å; V113-I151 PolarHBondContact O-N 3.04Å; C114-I151 CarbonylContact C-O 3.47Å; C114-I151 WeakPolarHBondContact CA-O 3.32Å; C114-I151 HydrophobicContact CB-CD1 3.94Å; C114-I151 HydrophobicContact CB-CG1 3.92Å; F115-I151 PolarHBondContact N-O 2.8Å; P149-I151 PolarHBondContact O-N 3.12Å; I151-Y252 HydrophobicContact CB-CD2 3.92Å; I151-Y252 HydrophobicContact CB-CG 4.47Å; I151-Y252 HydrophobicContact CD1-CD2 3.98Å; I151-Y252 HydrophobicContact CD1-CG 3.99Å; I151-Y252 HydrophobicContact CG2-CD2 3.7Å; I151-Y252 HydrophobicContact CG2-CE2 4.08Å; I151-I253 CarbonylContact C-O 3.6Å; I151-I253 VanDerWaalsContact CA-O 3.23Å; I151-I253 WeakPolarHBondContact CA-O 3.35Å
152C98.4Very high97.7Very high0 Ų036.9 Ų36.90%020%0.201CC..EExtended strand (participates in β ladder)trans-144.4157-18065.50000112.3F115 F125 Y252 I253 F255F115-C152 HydrophobicContact CB-CB 3.74Å; F115-C152 CarbonylContact O-C 3.4Å; F115-C152 WeakPolarHBondContact O-CA 3.46Å; F125-C152 HydrophobicContact CD1-CB 4.46Å; F125-C152 HydrophobicContact CD2-CB 3.95Å; F125-C152 HydrophobicContact CE1-CB 4.22Å; F125-C152 HydrophobicContact CE2-CB 3.68Å; F125-C152 HydrophobicContact CG-CB 4.33Å; F125-C152 HydrophobicContact CZ-CB 3.8Å; C152-Y252 WeakPolarHBondContact O-CA 3.32Å; C152-I253 PolarHBondContact N-O 2.97Å; C152-I253 PolarHBondContact O-N 2.89Å; C152-I253 VanDerWaalsContact SG-CG1 3.52Å; C152-F255 HydrophobicContact CB-CB 4.44Å
153T97.9Very high97.6Very high3 Ų338.6 Ų38.62%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-149.5161.1-177.7-172.20000111.2F115 I116 A117 F125 W247 L248 H251F115-T153 PolarHBondContact O-N 3.24Å; I116-T153 HydrophobicContact CB-CG2 4.45Å; I116-T153 HydrophobicContact CG1-CG2 3.83Å; A117-T153 PolarHBondContact N-O 2.96Å; F125-T153 VanDerWaalsContact CE2-O 3.28Å; F125-T153 WeakPolarHBondContact CE2-O 3.13Å; F125-T153 WeakPolarHBondContact CZ-O 3.23Å; T153-W247 WeakPolarHBondContact OG1-CZ3 3.24Å; T153-L248 HydrophobicContact CG2-CD2 3.22Å; T153-L248 HydrophobicContact CG2-CG 4.42Å; T153-H251 WeakPolarHBondContact CB-O 3.47Å; T153-H251 PolarHBondContact OG1-O 3.5Å
154D98.3Very high97.3Very high7 Ų741.6 Ų41.64%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-116.4125.7-171.9-164.9-38.6000110.2A117 N119 G120 L121 L156 P157A117-D154 WeakPolarHBondContact O-CA 3.38Å; N119-D154 WeakPolarHBondContact CA-OD1 3.48Å; N119-D154 VanDerWaalsContact CA-OD2 3.23Å; N119-D154 WeakPolarHBondContact CA-OD2 3.47Å; N119-D154 PolarHBondContact N-OD1 2.84Å; G120-D154 PolarHBondContact N-OD2 2.81Å; G120-D154 VanDerWaalsContact N-OD2 3.14Å; L121-D154 HydrophobicContact CB-CB 4.36Å; L121-D154 HydrophobicContact CD1-CB 3.67Å; L121-D154 HydrophobicContact CG-CB 3.8Å; L121-D154 PolarHBondContact N-OD2 3.13Å; L121-D154 VanDerWaalsContact N-OD2 3.09Å; D154-L156 VanDerWaalsContact C-N 3.29Å; D154-L156 PolarHBondContact O-N 3.32Å; D154-L156 VanDerWaalsContact OD1-CB 3.23Å; D154-L156 WeakPolarHBondContact OD1-CB 3.4Å; D154-L156 PolarHBondContact OD1-N 2.89Å; D154-P157 HydrophobicContact CB-CG 3.92Å; D154-P157 VanDerWaalsContact O-CD 3.25Å; D154-P157 WeakPolarHBondContact O-CD 3.46Å; D154-P157 VanDerWaalsContact O-CG 3.27Å; D154-P157 WeakPolarHBondContact O-CG 3.42Å; D154-P157 WeakPolarHBondContact OD1-CD 3.4Å
155T98.3Very high97.1Very high0 Ų045.2 Ų45.20%026%0.255CS..Hα-helixtrans-75.9-16.7179.962.50000113.2I116 A117 H118 L158 F159 M233 V237I116-T155 HydrophobicContact CG2-CG2 3.2Å; A117-T155 PolarHBondContact O-N 3.18Å; H118-T155 WeakPolarHBondContact CA-OG1 3.48Å; H118-T155 VanDerWaalsContact CB-OG1 3.31Å; H118-T155 WeakPolarHBondContact CB-OG1 3.38Å; H118-T155 PolarHBondContact ND1-OG1 3.07Å; T155-L158 HydrophobicContact CG2-CD2 4.45Å; T155-L158 WeakPolarHBondContact O-CB 3.26Å; T155-L158 PolarHBondContact O-N 3.03Å; T155-F159 HydrophobicContact CG2-CE2 4.48Å; T155-F159 HydrophobicContact CG2-CZ 4.14Å; T155-F159 WeakPolarHBondContact O-CB 3.46Å; T155-F159 VanDerWaalsContact O-CD2 3.23Å; T155-F159 WeakPolarHBondContact O-CD2 3.08Å; T155-F159 WeakPolarHBondContact O-CG 3.49Å; T155-F159 PolarHBondContact O-N 2.78Å; T155-F159 WeakPolarHBondContact OG1-CE2 3.36Å; T155-M233 HydrophobicContact CG2-SD 4.22Å; T155-V237 HydrophobicContact CG2-CG2 4.45Å
156L98.1Very high96.9Very high22 Ų2242.3 Ų42.312%0.11524%0.235CC..Hα-helixtrans-61.8-51.6177.6179.661.5000112.8N119 D154 R160 F206N119-L156 HydrophobicContact CB-CB 4.47Å; N119-L156 HydrophobicContact CB-CD2 4.09Å; D154-L156 VanDerWaalsContact C-N 3.29Å; D154-L156 PolarHBondContact O-N 3.32Å; D154-L156 VanDerWaalsContact OD1-CB 3.23Å; D154-L156 WeakPolarHBondContact OD1-CB 3.4Å; D154-L156 PolarHBondContact OD1-N 2.89Å; L156-R160 VanDerWaalsContact O-CG 3.31Å; L156-R160 WeakPolarHBondContact O-CG 3.21Å; L156-R160 PolarHBondContact O-N 3.02Å; L156-R160 VanDerWaalsContact O-N 3.16Å; L156-F206 HydrophobicContact CD1-CB 3.59Å; L156-F206 HydrophobicContact CD1-CG 4.46Å
157P97.5Very high96.3Very high42 Ų4239.7 Ų39.727%0.27322%0.22SC..Hα-helixtrans-64.6-38.6172.323.5-32.7000112.9D154 F159 R160 E161 W247D154-P157 HydrophobicContact CB-CG 3.92Å; D154-P157 VanDerWaalsContact O-CD 3.25Å; D154-P157 WeakPolarHBondContact O-CD 3.46Å; D154-P157 VanDerWaalsContact O-CG 3.27Å; D154-P157 WeakPolarHBondContact O-CG 3.42Å; D154-P157 WeakPolarHBondContact OD1-CD 3.4Å; P157-F159 PolarHBondContact O-N 3.21Å; P157-R160 WeakPolarHBondContact O-CB 3.34Å; P157-R160 PolarHBondContact O-N 2.69Å; P157-E161 PolarHBondContact O-N 2.79Å; P157-W247 HydrophobicContact CB-CH2 4.16Å; P157-W247 HydrophobicContact CB-CZ2 4.12Å; P157-W247 HydrophobicContact CG-CH2 3.86Å; P157-W247 HydrophobicContact CG-CZ2 4.34Å
158L97.7Very high94.9Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-53.5-55173.8172.270.9000110.9T155 R160 E161 F162 V237 L240 A244 W247 L248T155-L158 HydrophobicContact CG2-CD2 4.45Å; T155-L158 WeakPolarHBondContact O-CB 3.26Å; T155-L158 PolarHBondContact O-N 3.03Å; L158-R160 PolarHBondContact O-N 3.24Å; L158-E161 WeakPolarHBondContact O-CB 3.21Å; L158-E161 PolarHBondContact O-N 3.39Å; L158-F162 HydrophobicContact CD1-CD2 3.54Å; L158-F162 HydrophobicContact CD1-CE2 3.5Å; L158-F162 VanDerWaalsContact CD1-CE2 3.5Å; L158-F162 HydrophobicContact CG-CD2 4.25Å; L158-F162 WeakPolarHBondContact O-CD2 3.35Å; L158-F162 PolarHBondContact O-N 3.08Å; L158-V237 HydrophobicContact CD2-CG2 4.33Å; L158-L240 HydrophobicContact CG-CD1 4.4Å; L158-A244 HydrophobicContact CD1-CB 4.08Å; L158-A244 HydrophobicContact CD2-CB 4.24Å; L158-W247 HydrophobicContact CB-CD2 4.13Å; L158-W247 HydrophobicContact CB-CE3 3.79Å; L158-W247 HydrophobicContact CB-CH2 4.11Å; L158-W247 HydrophobicContact CB-CZ2 4.4Å; L158-W247 HydrophobicContact CB-CZ3 3.76Å; L158-W247 HydrophobicContact CD1-CB 3.67Å; L158-W247 HydrophobicContact CD1-CD2 3.49Å; L158-W247 VanDerWaalsContact CD1-CD2 3.49Å; L158-W247 HydrophobicContact CD1-CE3 3.55Å; L158-W247 HydrophobicContact CD1-CG 3.53Å; L158-W247 HydrophobicContact CD1-CZ3 4.4Å; L158-W247 HydrophobicContact CG-CD2 4.42Å; L158-W247 HydrophobicContact CG-CE3 4.18Å; L158-L248 HydrophobicContact CD2-CD2 4.38Å
159F97.7Very high93Very high0 Ų038.9 Ų38.90%022%0.219CC..Hα-helixtrans-65.6-29.5-177.2-62.6-23.6000112.5H118 T155 P157 F162 A163 L166 F206 L208 I211 L236 L240H118-F159 AromaticContact CE1-CD2 3.79Å; H118-F159 AromaticContact ND1-CD2 3.75Å; H118-F159 AromaticContact ND1-CE2 3.68Å; T155-F159 HydrophobicContact CG2-CE2 4.48Å; T155-F159 HydrophobicContact CG2-CZ 4.14Å; T155-F159 WeakPolarHBondContact O-CB 3.46Å; T155-F159 VanDerWaalsContact O-CD2 3.23Å; T155-F159 WeakPolarHBondContact O-CD2 3.08Å; T155-F159 WeakPolarHBondContact O-CG 3.49Å; T155-F159 PolarHBondContact O-N 2.78Å; T155-F159 WeakPolarHBondContact OG1-CE2 3.36Å; P157-F159 PolarHBondContact O-N 3.21Å; F159-F162 CarbonylContact O-C 3.52Å; F159-A163 WeakPolarHBondContact O-CA 3.22Å; F159-A163 PolarHBondContact O-N 3.07Å; F159-A163 VanDerWaalsContact O-N 3.08Å; F159-L166 HydrophobicContact CB-CD1 3.62Å; F159-L166 HydrophobicContact CD1-CD1 3.83Å; F159-L166 HydrophobicContact CG-CD1 3.92Å; F159-F206 HydrophobicContact CB-CD1 4.17Å; F159-F206 VanDerWaalsContact O-CE1 3.31Å; F159-F206 WeakPolarHBondContact O-CE1 3.44Å; F159-L208 HydrophobicContact CE2-CD1 4.31Å; F159-I211 HydrophobicContact CB-CD1 3.9Å; F159-I211 HydrophobicContact CD2-CD1 3.42Å; F159-I211 VanDerWaalsContact CD2-CD1 3.42Å; F159-I211 HydrophobicContact CE2-CD1 4.22Å; F159-I211 HydrophobicContact CG-CD1 3.98Å; F159-L236 HydrophobicContact CE1-CB 3.89Å; F159-L236 HydrophobicContact CE2-CB 4.45Å; F159-L236 HydrophobicContact CE2-CD1 3.86Å; F159-L236 HydrophobicContact CZ-CB 3.6Å; F159-L236 HydrophobicContact CZ-CD1 3.84Å; F159-L236 HydrophobicContact CZ-CG 4.37Å; F159-L240 HydrophobicContact CD1-CD1 4.02Å; F159-L240 HydrophobicContact CE1-CD1 4.2Å
160R96.8Very high90.6Very high135 Ų13542.4 Ų42.451%0.50924%0.235SC..Hα-helixtrans-67.4-38.2171.6-74.1172.8178.8-177.41.9112.5L156 P157 L158 A163 F206L156-R160 VanDerWaalsContact O-CG 3.31Å; L156-R160 WeakPolarHBondContact O-CG 3.21Å; L156-R160 PolarHBondContact O-N 3.02Å; L156-R160 VanDerWaalsContact O-N 3.16Å; P157-R160 WeakPolarHBondContact O-CB 3.34Å; P157-R160 PolarHBondContact O-N 2.69Å; L158-R160 PolarHBondContact O-N 3.24Å; R160-A163 WeakPolarHBondContact O-CB 3.36Å; R160-A163 PolarHBondContact O-N 3.04Å; R160-F206 HydrophobicContact CB-CE1 4.34Å; R160-F206 HydrophobicContact CB-CZ 4.37Å; R160-F206 HydrophobicContact CG-CD1 3.9Å; R160-F206 HydrophobicContact CG-CD2 3.98Å; R160-F206 HydrophobicContact CG-CE1 3.86Å; R160-F206 HydrophobicContact CG-CE2 3.91Å; R160-F206 HydrophobicContact CG-CG 3.97Å; R160-F206 HydrophobicContact CG-CZ 3.85Å
161E96.2Very high87.9Confident117 Ų11747.6 Ų47.655%0.54727%0.271SS..Hα-helixtrans-67.4-40.4177.1-168.6164.6138.600111.4P157 L158 A163 W247P157-E161 PolarHBondContact O-N 2.79Å; L158-E161 WeakPolarHBondContact O-CB 3.21Å; L158-E161 PolarHBondContact O-N 3.39Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.07Å; E161-W247 PolarHBondContact OE1-NE1 2.78Å; E161-W247 PolarHBondContact OE2-NE1 2.9Å
162F96Very high85.4Confident24 Ų2453.6 Ų53.611%0.10530%0.304CS..THydrogen-bonded Turntrans-93.623.1178.2-66.2-77.9000114L158 F159 S164 Q165 L166 L240 P243 W247L158-F162 HydrophobicContact CD1-CD2 3.54Å; L158-F162 HydrophobicContact CD1-CE2 3.5Å; L158-F162 VanDerWaalsContact CD1-CE2 3.5Å; L158-F162 HydrophobicContact CG-CD2 4.25Å; L158-F162 WeakPolarHBondContact O-CD2 3.35Å; L158-F162 PolarHBondContact O-N 3.08Å; F159-F162 CarbonylContact O-C 3.52Å; F162-S164 PolarHBondContact O-N 3.5Å; F162-S164 VanDerWaalsContact O-N 3.12Å; F162-Q165 PolarHBondContact O-N 2.97Å; F162-L166 WeakPolarHBondContact O-CG 3.28Å; F162-L166 PolarHBondContact O-N 3.34Å; F162-L166 VanDerWaalsContact O-N 3.13Å; F162-L240 HydrophobicContact CB-CD1 3.9Å; F162-L240 HydrophobicContact CB-CD2 3.67Å; F162-L240 HydrophobicContact CB-CG 4.45Å; F162-L240 HydrophobicContact CD1-CD2 4.46Å; F162-L240 HydrophobicContact CD2-CD1 4.18Å; F162-L240 HydrophobicContact CG-CD1 4.14Å; F162-L240 HydrophobicContact CG-CD2 4.13Å; F162-P243 HydrophobicContact CD1-CB 4.43Å; F162-P243 HydrophobicContact CE1-CB 3.51Å; F162-P243 HydrophobicContact CZ-CB 3.72Å; F162-P243 WeakPolarHBondContact CZ-O 3.39Å; F162-W247 HydrophobicContact CE2-CB 3.94Å; F162-W247 AromaticContact CE2-CD1 3.93Å; F162-W247 HydrophobicContact CE2-CG 4.04Å; F162-W247 HydrophobicContact CZ-CB 4.43Å
163A95.8Very high82.8Confident35 Ų3560.9 Ų60.929%0.28934%0.343SS..THydrogen-bonded Turntrans-57.6-32.5-173.900000114F159 R160 E161 L166 S167 F206F159-A163 WeakPolarHBondContact O-CA 3.22Å; F159-A163 PolarHBondContact O-N 3.07Å; F159-A163 VanDerWaalsContact O-N 3.08Å; R160-A163 WeakPolarHBondContact O-CB 3.36Å; R160-A163 PolarHBondContact O-N 3.04Å; E161-A163 VanDerWaalsContact C-N 3.33Å; E161-A163 PolarHBondContact O-N 3.07Å; A163-L166 PolarHBondContact O-N 2.85Å; A163-S167 PolarHBondContact O-N 3.13Å; A163-F206 HydrophobicContact CB-CE1 4Å; A163-F206 HydrophobicContact CB-CZ 3.75Å
164S93.5Very high80.3Confident94 Ų9466 Ų6666%0.65738%0.378SS*.THydrogen-bonded Turntrans-70.3-29177.255.60000113.6F162 S167F162-S164 PolarHBondContact O-N 3.5Å; F162-S164 VanDerWaalsContact O-N 3.12Å; S164-S167 PolarHBondContact O-OG 3.37Å
165Q93.6Very high77.6Confident83 Ų8368.6 Ų68.639%0.38841%0.407SS..THydrogen-bonded Turntrans-81.5-29.6175.7-63.1176.76.800111F162 S167 Y239 L240F162-Q165 PolarHBondContact O-N 2.97Å; Q165-S167 VanDerWaalsContact C-N 3.34Å; Q165-Y239 WeakPolarHBondContact O-CE1 3.37Å; Q165-Y239 PolarHBondContact O-OH 3.2Å; Q165-L240 HydrophobicContact CB-CD2 3.93Å
166L93.8Very high74.9Confident0 Ų076.7 Ų76.70%044%0.442CS..THydrogen-bonded Turntrans-85.61.3179.3-61.9173.9000113.8F159 F162 A163 G168 I211 R214 V215 L236 Y239 L240F159-L166 HydrophobicContact CB-CD1 3.62Å; F159-L166 HydrophobicContact CD1-CD1 3.83Å; F159-L166 HydrophobicContact CG-CD1 3.92Å; F162-L166 WeakPolarHBondContact O-CG 3.28Å; F162-L166 PolarHBondContact O-N 3.34Å; F162-L166 VanDerWaalsContact O-N 3.13Å; A163-L166 PolarHBondContact O-N 2.85Å; L166-G168 PolarHBondContact O-N 3.28Å; L166-I211 HydrophobicContact CB-CG2 4.37Å; L166-I211 HydrophobicContact CD1-CG2 4.02Å; L166-I211 HydrophobicContact CD2-CG2 4.27Å; L166-I211 HydrophobicContact CG-CG2 4.47Å; L166-R214 VanDerWaalsContact O-CD 3.22Å; L166-R214 WeakPolarHBondContact O-CD 3.5Å; L166-V215 HydrophobicContact CB-CG2 4.16Å; L166-V215 HydrophobicContact CD2-CG2 3.72Å; L166-L236 HydrophobicContact CD2-CD2 4.31Å; L166-Y239 HydrophobicContact CD2-CD1 4Å; L166-Y239 HydrophobicContact CD2-CE1 4.24Å; L166-L240 HydrophobicContact CD1-CD1 4.46Å; L166-L240 HydrophobicContact CD2-CD1 4.32Å; L166-L240 HydrophobicContact CD2-CD2 3.78Å; L166-L240 HydrophobicContact CD2-CG 4.04Å; L166-L240 HydrophobicContact CG-CD2 4.02Å
167S83.7Confident72.3Confident40 Ų4083 Ų8328%0.2848%0.475SS..THydrogen-bonded Turntrans-72.1-5.2-177.8590000114.3A163 S164 Q165A163-S167 PolarHBondContact O-N 3.13Å; S164-S167 PolarHBondContact O-OG 3.37Å; Q165-S167 VanDerWaalsContact C-N 3.34Å
168G69Low69.9Low17 Ų1784.6 Ų84.618%0.17549%0.487CS..  trans77.9157.8-169.500000111.2L166 N170L166-G168 PolarHBondContact O-N 3.28Å; G168-N170 PolarHBondContact O-N 3.33Å
169V57.5Low67.5Low126 Ų12689.8 Ų89.876%0.76452%0.518SS*.  trans-69.899.7176.1-177.80000108S171V169-S171 PolarHBondContact O-N 3.05Å; V169-S171 VanDerWaalsContact O-N 3.12Å
170N45.7Very low65.1Low131 Ų13196.5 Ų96.570%0.70156%0.555SS**  trans-59.5116.5160.6-76.8-27.9000106.9G168 D172G168-N170 PolarHBondContact O-N 3.33Å; N170-D172 PolarHBondContact O-N 3.28Å
171S42.4Very low62.7Low109 Ų10996.3 Ų96.376%0.76256%0.564SS**THydrogen-bonded Turntrans-72.312.5-175.5-27.70000113.8V169V169-S171 PolarHBondContact O-N 3.05Å; V169-S171 VanDerWaalsContact O-N 3.12Å
172D45.6Very low60.5Low141 Ų14198.5 Ų98.575%0.75457%0.574SS**THydrogen-bonded Turntrans-122.719.1-155.6-64.2-9.1000114.6N170 S174N170-D172 PolarHBondContact O-N 3.28Å; D172-S174 PolarHBondContact O-N 3.09Å
173D44.2Very low58.1Low153 Ų153102.6 Ų102.682%0.81861%0.606SS**  trans-99.570166.3-159.912.5000110.8G175D173-G175 PolarHBondContact O-N 3.14Å
174S44.2Very low55.7Low110 Ų110105.8 Ų105.877%0.76963%0.626SS**  trans-71.578.1159.960.90000108.6D172 F176D172-S174 PolarHBondContact O-N 3.09Å; S174-F176 PolarHBondContact O-N 3.2Å
175G42.2Very low53.4Low62 Ų62107.8 Ų107.864%0.63963%0.634SS**  trans-68.263.6164.900000110.7D173 I177D173-G175 PolarHBondContact O-N 3.14Å; G175-I177 PolarHBondContact O-N 2.98Å; G175-I177 VanDerWaalsContact O-N 3.12Å
176F42.1Very low50.9Low170 Ų170109 Ų10975%0.74665%0.649SS**  trans-77.593.3171.2-175.9-107.5000108.6S174 S178S174-F176 PolarHBondContact O-N 3.2Å; F176-S178 WeakPolarHBondContact CE1-OG 3.38Å; F176-S178 WeakPolarHBondContact CE2-OG 3.21Å; F176-S178 VanDerWaalsContact CZ-CB 3.43Å; F176-S178 WeakPolarHBondContact CZ-OG 3.43Å
177I42.4Very low48.7Very low154 Ų154115.1 Ų115.179%0.7969%0.686SS**  trans-79.9109158.4-60.8172.5000105.7G175G175-I177 PolarHBondContact O-N 2.98Å; G175-I177 VanDerWaalsContact O-N 3.12Å
178S47.9Very low46.8Very low76 Ų76118 Ų11853%0.53170%0.704SS.*  trans-123.5115.6157.6-82.20000109.8F176F176-S178 WeakPolarHBondContact CE1-OG 3.38Å; F176-S178 WeakPolarHBondContact CE2-OG 3.21Å; F176-S178 VanDerWaalsContact CZ-CB 3.43Å; F176-S178 WeakPolarHBondContact CZ-OG 3.43Å
179T47.9Very low45.3Very low108 Ų108124.7 Ų124.766%0.66373%0.734SS**  trans-73.8135.1165.943.40000110.2
180D46.8Very low44.5Very low142 Ų142123.3 Ų123.376%0.75973%0.73SS**  trans54.8116.8144.3-48.7-27.2000119.2
181D47.1Very low44.5Very low131 Ų131125.9 Ų125.970%0.70174%0.738SS**  173.5132.784.1-119.1-23.1000113.4
182Q49.5Very low44.2Very low163 Ų163126.4 Ų126.476%0.76274%0.741SS**  trans34.7112.8145.2-65.5170.759.500121.9
183S45.1Very low44Very low110 Ų110125.3 Ų125.377%0.76975%0.745SS**  165.8129.298.860.60000114.3
184S44.7Very low43.6Very low102 Ų102123.5 Ų123.571%0.71374%0.741SS**  trans52.4113.8144.367.10000119.2
185T45.5Very low43.2Very low135 Ų135125.7 Ų125.783%0.82874%0.742SS**  176.6165.259.733.30000109.7
186P42.4Very low42.9Very low110 Ų110132.4 Ų132.471%0.71475%0.754SS**  trans-115.5150.8-14413.59.4000118.8
187V47.5Very low42.5Very low128 Ų128131.2 Ų131.278%0.77676%0.755SS**  trans75.3158.5131.6178.70000117.6
188P42.4Very low42.1Very low101 Ų101128.9 Ų128.966%0.65675%0.75SS**  cis-136155.20.917.98.1000119.7
189I38.5Very low41.2Very low157 Ų157131.3 Ų131.381%0.80576%0.762SS**  52.3115.4125.9-47.3161000120.2
190S41.3Very low40.7Very low97 Ų97130.9 Ų130.968%0.67876%0.759SS**  trans-169119137.340.60000114.4
191H44.3Very low40.5Very low185 Ų185130.1 Ų130.186%0.85676%0.76SS**  trans74.8113.2145.8-55.8-57.5000122
192S37.5Very low40.7Very low119 Ų119129.7 Ų129.783%0.83276%0.757SS**  trans-59.7145.3169.7-39.50000114.2
193S39.7Very low41.9Very low119 Ų119131.1 Ų131.183%0.83276%0.761SS**  trans-141.1129.9150.9-770000108.6
194P36.4Very low43.7Very low114 Ų114130.3 Ų130.374%0.7475%0.745SS**  trans-88.6144.4-179.51.917000113.2
195I36.4Very low46Very low156 Ų156127.4 Ų127.480%0.872%0.724SS**  trans65112.5141.4-54.6165.7000118.1
196K35.2Very low48.4Very low204 Ų204123.2 Ų123.289%0.88770%0.695SS**  trans-137.6108.5130.6-85.1-171.6-179.7176.20109.5
197L33.9Very low51Low145 Ų145124.3 Ų124.376%0.75969%0.69SS**  trans-71122.2163.8-163.576.6000107.5T199L197-T199 PolarHBondContact O-N 3.39Å; L197-T199 VanDerWaalsContact O-N 3.12Å
198P34.4Very low53.4Low105 Ų105118.9 Ų118.968%0.68266%0.656SS**  trans-78.498.91748.55.9000108.9T200P198-T200 VanDerWaalsContact C-N 3.27Å; P198-T200 PolarHBondContact O-N 3.43Å; P198-T200 VanDerWaalsContact O-N 3.07Å
199T29.4Very low55.9Low127 Ų127115.1 Ų115.178%0.77964%0.636SS**  trans-72.583.8158.547.70000108.7L197L197-T199 PolarHBondContact O-N 3.39Å; L197-T199 VanDerWaalsContact O-N 3.12Å
200T36.7Very low58.7Low98 Ų98111 Ų11160%0.60162%0.616SS**  trans-11587.2166.653.90000108.7P198 N202P198-T200 VanDerWaalsContact C-N 3.27Å; P198-T200 PolarHBondContact O-N 3.43Å; P198-T200 VanDerWaalsContact O-N 3.07Å; T200-N202 PolarHBondContact O-N 2.87Å
201T43.2Very low61.3Low127 Ų127106.4 Ų106.478%0.77958%0.583SS**  trans-70.977.816154.20000107.8K203T201-K203 PolarHBondContact O-N 3.4Å
202N49.9Very low63.8Low121 Ų12197.8 Ų97.865%0.64754%0.544SS*.  trans-67.584.8170.1-87.3-19000108.1T200 H204T200-N202 PolarHBondContact O-N 2.87Å; N202-H204 VanDerWaalsContact C-N 3.35Å; N202-H204 PolarHBondContact O-CD2 2.87Å; N202-H204 VanDerWaalsContact O-CD2 3.3Å; N202-H204 PolarHBondContact O-N 2.88Å
203K75.5Confident66.6Low194 Ų19497.1 Ų97.184%0.84353%0.527SS*.  trans-72.595170.6-78.4-175.2178.9177.40107.7T201T201-K203 PolarHBondContact O-N 3.4Å
204H82.4Confident69.2Low92 Ų9294.1 Ų94.143%0.42650%0.498SS..  trans-58.1143.3174.9-66.8-80.7000111.3N202 F206N202-H204 VanDerWaalsContact C-N 3.35Å; N202-H204 PolarHBondContact O-CD2 2.87Å; N202-H204 VanDerWaalsContact O-CD2 3.3Å; N202-H204 PolarHBondContact O-N 2.88Å; H204-F206 WeakPolarHBondContact O-CD2 3.27Å
205S94.1Very high72Confident41 Ų4189.6 Ų89.629%0.28747%0.468SS..  trans-66.5145.4172.2177.50000110.6H207 D210 R214S205-H207 PolarHBondContact OG-N 3.37Å; S205-H207 PolarHBondContact OG-ND1 2.95Å; S205-D210 WeakPolarHBondContact CB-OD2 3.23Å; S205-D210 PolarHBondContact OG-OD2 3.35Å; S205-R214 PolarHBondContact O-NH1 2.93Å; S205-R214 PolarHBondContact O-NH2 3.46Å
206F96.1Very high74.7Confident48 Ų4885 Ų8521%0.21144%0.443CS..  trans-112.220.3175.7-71-83.3000112.4H118 L156 F159 R160 A163 H204 I211H118-F206 PolarHBondContact CE1-O 2.86Å; H118-F206 PolarHBondContact NE2-O 2.94Å; L156-F206 HydrophobicContact CD1-CB 3.59Å; L156-F206 HydrophobicContact CD1-CG 4.46Å; F159-F206 HydrophobicContact CB-CD1 4.17Å; F159-F206 VanDerWaalsContact O-CE1 3.31Å; F159-F206 WeakPolarHBondContact O-CE1 3.44Å; R160-F206 HydrophobicContact CB-CE1 4.34Å; R160-F206 HydrophobicContact CB-CZ 4.37Å; R160-F206 HydrophobicContact CG-CD1 3.9Å; R160-F206 HydrophobicContact CG-CD2 3.98Å; R160-F206 HydrophobicContact CG-CE1 3.86Å; R160-F206 HydrophobicContact CG-CE2 3.91Å; R160-F206 HydrophobicContact CG-CG 3.97Å; R160-F206 HydrophobicContact CG-CZ 3.85Å; A163-F206 HydrophobicContact CB-CE1 4Å; A163-F206 HydrophobicContact CB-CZ 3.75Å; H204-F206 WeakPolarHBondContact O-CD2 3.27Å; F206-I211 HydrophobicContact CB-CD1 4.2Å; F206-I211 HydrophobicContact CD1-CD1 4Å
207H96.4Very high77.5Confident133 Ų13378.8 Ų78.862%0.61644%0.436SS*.SBendtrans-66.8143.1166.1-63.790.9000109.4S205 G209 D210 I211S205-H207 PolarHBondContact OG-N 3.37Å; S205-H207 PolarHBondContact OG-ND1 2.95Å; H207-G209 PolarHBondContact O-N 3.22Å; H207-D210 HydrophobicContact CB-CB 4.47Å; H207-D210 IonicContact CG-OD2 3.61Å; H207-D210 IonicContact ND1-OD2 3.15Å; H207-D210 WeakPolarHBondContact O-CB 3.36Å; H207-D210 PolarHBondContact O-N 2.84Å; H207-I211 WeakPolarHBondContact O-CG1 3.39Å; H207-I211 PolarHBondContact O-N 3.12Å; H207-I211 VanDerWaalsContact O-N 3.07Å
208L97.2Very high80.4Confident13 Ų1374.6 Ų74.67%0.06841%0.413CS..Hα-helixtrans-51.3-51.1-173.5-177.162.1000112.9H118 F159 D210 I211 H212 D229 A232 M233 L236H118-L208 PolarHBondContact NE2-N 2.85Å; F159-L208 HydrophobicContact CE2-CD1 4.31Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.98Å; L208-I211 PolarHBondContact O-N 2.86Å; L208-H212 WeakPolarHBondContact O-CB 3.22Å; L208-H212 PolarHBondContact O-N 3.01Å; L208-D229 HydrophobicContact CD2-CB 3.88Å; L208-A232 HydrophobicContact CD1-CB 4.28Å; L208-A232 HydrophobicContact CD2-CB 4.13Å; L208-A232 HydrophobicContact CG-CB 4.11Å; L208-M233 HydrophobicContact CD1-CG 3.71Å; L208-M233 HydrophobicContact CD2-CG 4.04Å; L208-L236 HydrophobicContact CD1-CD1 3.67Å
209G96.3Very high83.2Confident22 Ų2277.4 Ų77.423%0.22741%0.414CS..Hα-helixtrans-59.7-40.6178.400000113.4H207 I211 H212 E213H207-G209 PolarHBondContact O-N 3.22Å; G209-I211 VanDerWaalsContact C-N 3.35Å; G209-I211 PolarHBondContact O-N 3.34Å; G209-H212 PolarHBondContact O-N 3.08Å; G209-E213 WeakPolarHBondContact O-CB 3.47Å; G209-E213 PolarHBondContact O-N 3.02Å
210D96Very high86.2Confident71 Ų7172 Ų7238%0.3838%0.38SS..Hα-helixtrans-68.6-33179.8-63-23.4000112.5S205 H207 L208 R214S205-D210 WeakPolarHBondContact CB-OD2 3.23Å; S205-D210 PolarHBondContact OG-OD2 3.35Å; H207-D210 HydrophobicContact CB-CB 4.47Å; H207-D210 IonicContact CG-OD2 3.61Å; H207-D210 IonicContact ND1-OD2 3.15Å; H207-D210 WeakPolarHBondContact O-CB 3.36Å; H207-D210 PolarHBondContact O-N 2.84Å; L208-D210 VanDerWaalsContact C-N 3.34Å; L208-D210 PolarHBondContact O-N 2.98Å; D210-R214 VanDerWaalsContact O-CB 3.26Å; D210-R214 WeakPolarHBondContact O-CB 3.49Å; D210-R214 PolarHBondContact O-N 3.36Å; D210-R214 PolarHBondContact O-NH2 3.39Å
211I96.6Very high88.8Confident0 Ų073.6 Ų73.60%038%0.379CS..Hα-helixtrans-73.2-47174.2-57.2169.1000109.1F159 L166 F206 H207 L208 G209 E213 R214 V215 L236F159-I211 HydrophobicContact CB-CD1 3.9Å; F159-I211 HydrophobicContact CD2-CD1 3.42Å; F159-I211 VanDerWaalsContact CD2-CD1 3.42Å; F159-I211 HydrophobicContact CE2-CD1 4.22Å; F159-I211 HydrophobicContact CG-CD1 3.98Å; L166-I211 HydrophobicContact CB-CG2 4.37Å; L166-I211 HydrophobicContact CD1-CG2 4.02Å; L166-I211 HydrophobicContact CD2-CG2 4.27Å; L166-I211 HydrophobicContact CG-CG2 4.47Å; F206-I211 HydrophobicContact CB-CD1 4.2Å; F206-I211 HydrophobicContact CD1-CD1 4Å; H207-I211 WeakPolarHBondContact O-CG1 3.39Å; H207-I211 PolarHBondContact O-N 3.12Å; H207-I211 VanDerWaalsContact O-N 3.07Å; L208-I211 PolarHBondContact O-N 2.86Å; G209-I211 VanDerWaalsContact C-N 3.35Å; G209-I211 PolarHBondContact O-N 3.34Å; I211-E213 PolarHBondContact O-N 3.31Å; I211-R214 PolarHBondContact O-N 2.93Å; I211-V215 HydrophobicContact CG2-CG2 4.23Å; I211-V215 WeakPolarHBondContact O-CG2 3.16Å; I211-V215 PolarHBondContact O-N 2.97Å; I211-L236 HydrophobicContact CB-CD1 4.12Å; I211-L236 HydrophobicContact CG2-CD1 3.87Å; I211-L236 HydrophobicContact CG2-CD2 3.65Å; I211-L236 HydrophobicContact CG2-CG 4.41Å
212H96.3Very high91.1Very high4 Ų474.6 Ų74.62%0.01937%0.374CS..Hα-helixtrans-56.5-49.4178.9-176.6-73.5000111.6L208 G209 R214 V215 F216 E218 H220L208-H212 WeakPolarHBondContact O-CB 3.22Å; L208-H212 PolarHBondContact O-N 3.01Å; G209-H212 PolarHBondContact O-N 3.08Å; H212-R214 VanDerWaalsContact C-N 3.34Å; H212-R214 PolarHBondContact O-N 3.25Å; H212-V215 PolarHBondContact O-N 3.01Å; H212-F216 AromaticContact CD2-CD2 3.65Å; H212-F216 AromaticContact CD2-CE2 3.88Å; H212-F216 AromaticContact CE1-CD2 3.75Å; H212-F216 AromaticContact CG-CD2 3.86Å; H212-F216 AromaticContact ND1-CD2 3.92Å; H212-F216 AromaticContact NE2-CD2 3.6Å; H212-F216 WeakPolarHBondContact O-CD2 3.41Å; H212-F216 PolarHBondContact O-N 3.36Å; H212-E218 PolarHBondContact ND1-O 3.18Å; H212-H220 HydrophobicContact CB-CB 4.37Å
213E95.9Very high93.3Very high105 Ų10570.7 Ų70.749%0.49136%0.358SS..Hα-helixtrans-64-39179.3-173.7169.117500112.1G209 I211 G217 E218G209-E213 WeakPolarHBondContact O-CB 3.47Å; G209-E213 PolarHBondContact O-N 3.02Å; I211-E213 PolarHBondContact O-N 3.31Å; E213-G217 VanDerWaalsContact O-CA 3.25Å; E213-G217 WeakPolarHBondContact O-CA 3.42Å; E213-G217 PolarHBondContact O-N 3.36Å; E213-E218 WeakPolarHBondContact CA-O 3.36Å
214R95.1Very high94.2Very high56 Ų5665.4 Ų65.421%0.21134%0.337CS..Hα-helixtrans-64.8-40.2176.5-172.9-176.5-44.9127.113.7113.1L166 S205 D210 I211 H212L166-R214 VanDerWaalsContact O-CD 3.22Å; L166-R214 WeakPolarHBondContact O-CD 3.5Å; S205-R214 PolarHBondContact O-NH1 2.93Å; S205-R214 PolarHBondContact O-NH2 3.46Å; D210-R214 VanDerWaalsContact O-CB 3.26Å; D210-R214 WeakPolarHBondContact O-CB 3.49Å; D210-R214 PolarHBondContact O-N 3.36Å; D210-R214 PolarHBondContact O-NH2 3.39Å; I211-R214 PolarHBondContact O-N 2.93Å; H212-R214 VanDerWaalsContact C-N 3.34Å; H212-R214 PolarHBondContact O-N 3.25Å
215V94.7Very high94.9Very high20 Ų2062.6 Ų62.612%0.12133%0.327CS..Hα-helixtrans-79.3-44.4-175.9172.20000111.4L166 I211 H212 L236 Y239L166-V215 HydrophobicContact CB-CG2 4.16Å; L166-V215 HydrophobicContact CD2-CG2 3.72Å; I211-V215 HydrophobicContact CG2-CG2 4.23Å; I211-V215 WeakPolarHBondContact O-CG2 3.16Å; I211-V215 PolarHBondContact O-N 2.97Å; H212-V215 PolarHBondContact O-N 3.01Å; V215-L236 HydrophobicContact CB-CD2 4.04Å; V215-L236 HydrophobicContact CG1-CD2 4.31Å; V215-L236 HydrophobicContact CG2-CD2 3.88Å; V215-Y239 HydrophobicContact CG1-CD1 3.73Å; V215-Y239 HydrophobicContact CG1-CD2 3.63Å; V215-Y239 HydrophobicContact CG1-CE1 3.82Å; V215-Y239 HydrophobicContact CG1-CE2 3.72Å; V215-Y239 HydrophobicContact CG1-CG 3.63Å
216F94.5Very high95.1Very high60 Ų6060.6 Ų60.626%0.26331%0.313SS..Hα-helixtrans-101-6.8-171.9-58.7-63.3000114.2H212 E218 R235 L236 Y239H212-F216 AromaticContact CD2-CD2 3.65Å; H212-F216 AromaticContact CD2-CE2 3.88Å; H212-F216 AromaticContact CE1-CD2 3.75Å; H212-F216 AromaticContact CG-CD2 3.86Å; H212-F216 AromaticContact ND1-CD2 3.92Å; H212-F216 AromaticContact NE2-CD2 3.6Å; H212-F216 WeakPolarHBondContact O-CD2 3.41Å; H212-F216 PolarHBondContact O-N 3.36Å; F216-E218 HydrophobicContact CB-CG 4.02Å; F216-E218 PolarHBondContact O-N 2.95Å; F216-E218 VanDerWaalsContact O-N 3.13Å; F216-R235 HydrophobicContact CE2-CB 3.72Å; F216-R235 HydrophobicContact CZ-CB 3.66Å; F216-R235 WeakPolarHBondContact CZ-O 3.3Å; F216-L236 HydrophobicContact CE2-CD2 3.83Å; F216-L236 HydrophobicContact CE2-CG 4.18Å; F216-L236 HydrophobicContact CZ-CD2 4.41Å; F216-Y239 HydrophobicContact CE1-CD2 4.22Å
217G94.1Very high95.2Very high72 Ų7261.4 Ų61.474%0.74232%0.318SS*.SBendtrans6512.8-178.300000113.8E213E213-G217 VanDerWaalsContact O-CA 3.25Å; E213-G217 WeakPolarHBondContact O-CA 3.42Å; E213-G217 PolarHBondContact O-N 3.36Å
218E93.6Very high95.3Very high58 Ų5855.4 Ų55.427%0.27129%0.292SS..SBendtrans-128.9145.6179.268.5173.8171.800111.2H212 E213 F216 H220 K221 R235H212-E218 PolarHBondContact ND1-O 3.18Å; E213-E218 WeakPolarHBondContact CA-O 3.36Å; F216-E218 HydrophobicContact CB-CG 4.02Å; F216-E218 PolarHBondContact O-N 2.95Å; F216-E218 VanDerWaalsContact O-N 3.13Å; E218-H220 PolarHBondContact O-N 3.41Å; E218-K221 IonicContact OE2-NZ 3.2Å; E218-K221 PolarHBondContact OE2-NZ 3.47Å; E218-R235 IonicContact OE1-CZ 2.71Å; E218-R235 IonicContact OE1-NH1 3.85Å; E218-R235 PolarHBondContact OE1-NH1 3.42Å; E218-R235 IonicContact OE1-NH2 2.58Å; E218-R235 PolarHBondContact OE1-NH2 2.9Å
219K94Very high95.4Very high164 Ų16455.5 Ų55.571%0.71329%0.293SS*.  trans-57.9137.1175.4-172175.9-178.6178.90110.3K221K219-K221 PolarHBondContact O-N 3.39Å
220H92.8Very high95.5Very high14 Ų1454.5 Ų54.57%0.06528%0.282CS..  trans-59.3103.3172.5-179.7-172.5000110.2H212 E218 A223 G228 D229 A232H212-H220 HydrophobicContact CB-CB 4.37Å; E218-H220 PolarHBondContact O-N 3.41Å; H220-A223 HydrophobicContact CB-CB 4.33Å; H220-G228 PolarHBondContact NE2-O 2.96Å; H220-G228 VanDerWaalsContact NE2-O 3.09Å; H220-D229 IonicContact CE1-OD1 3.2Å; H220-D229 PolarHBondContact CE1-OD1 3.11Å; H220-D229 IonicContact NE2-OD1 2.8Å; H220-D229 PolarHBondContact NE2-OD1 2.81Å; H220-A232 VanDerWaalsContact NE2-CB 3.32Å; H220-A232 WeakPolarHBondContact NE2-CB 3.39Å
221K89.7Confident95.6Very high131 Ų13153.5 Ų53.557%0.5727%0.273SS*.THydrogen-bonded Turntrans-68.2137.5178.8-64.6175.7-173.4157.60109.1E218 K219 A223E218-K221 IonicContact OE2-NZ 3.2Å; E218-K221 PolarHBondContact OE2-NZ 3.47Å; K219-K221 PolarHBondContact O-N 3.39Å; K221-A223 PolarHBondContact O-N 3.46Å
222H92.6Very high95.6Very high147 Ų14753.5 Ų53.568%0.68127%0.273SS*.THydrogen-bonded Turntrans56.732.3-179.3-47.8-72.6000113.9H224 S225H222-H224 PolarHBondContact O-N 3.14Å; H222-S225 PolarHBondContact O-N 3.41Å; H222-S225 PolarHBondContact O-OG 2.97Å
223A94.9Very high95.7Very high39 Ų3953.3 Ų53.332%0.32227%0.272SS..THydrogen-bonded Turntrans-53.2137.117100000110.4H220 K221 S225 D229H220-A223 HydrophobicContact CB-CB 4.33Å; K221-A223 PolarHBondContact O-N 3.46Å; A223-S225 VanDerWaalsContact C-N 3.31Å; A223-D229 WeakPolarHBondContact CA-OD1 3.4Å
224H94.3Very high95.8Very high84 Ų8448.3 Ų48.339%0.38925%0.249SC..THydrogen-bonded Turntrans67.525.5-174.4-46.2-58.4000114.5E24 I80 S81 H222 D229E24-H224 VanDerWaalsContact CD-O 3.26Å; E24-H224 WeakPolarHBondContact OE1-CA 3.49Å; E24-H224 VanDerWaalsContact OE1-O 3.07Å; I80-H224 HydrophobicContact CB-CB 4.29Å; I80-H224 WeakPolarHBondContact O-CB 3.29Å; S81-H224 VanDerWaalsContact CA-O 3.27Å; S81-H224 WeakPolarHBondContact CA-O 3.28Å; H222-H224 PolarHBondContact O-N 3.14Å; H224-D229 PolarHBondContact N-OD1 2.89Å
225S98.1Very high95.8Very high32 Ų3248.5 Ų48.522%0.22425%0.25CC..SBendtrans-107.9143.3148.9770000108.6H222 A223 E227 G228 D229H222-S225 PolarHBondContact O-N 3.41Å; H222-S225 PolarHBondContact O-OG 2.97Å; A223-S225 VanDerWaalsContact C-N 3.31Å; S225-E227 PolarHBondContact O-N 3.14Å; S225-E227 VanDerWaalsContact O-N 3.16Å; S225-G228 PolarHBondContact O-N 2.95Å; S225-G228 PolarHBondContact OG-N 2.96Å; S225-D229 PolarHBondContact O-N 3.39Å
226A98.5Very high95.9Very high0 Ų047.6 Ų47.60%024%0.244CC..Hα-helixtrans-60.1-35.9-174.900000111.9D22 E24 E39 C41 C230D22-A226 HydrophobicContact CB-CB 4.41Å; D22-A226 WeakPolarHBondContact CB-O 3.42Å; D22-A226 WeakPolarHBondContact OD2-CA 3.49Å; E24-A226 HydrophobicContact CG-CB 4.48Å; E39-A226 HydrophobicContact CB-CB 4.32Å; E39-A226 HydrophobicContact CG-CB 3.81Å; E39-A226 PolarHBondContact OE2-N 2.97Å; C41-A226 HydrophobicContact CB-CB 3.61Å; C41-A226 WeakPolarHBondContact CB-O 3.37Å; A226-C230 WeakPolarHBondContact O-CB 3.27Å; A226-C230 PolarHBondContact O-N 2.93Å; A226-C230 VanDerWaalsContact O-N 3.12Å; A226-C230 PolarHBondContact O-SG 3.42Å
227E98.5Very high96Very high64 Ų6444.7 Ų44.730%0.29923%0.231SC..Hα-helixtrans-68.9-44173.6-178.9177.8157.800112.4C41 K62 S225 D229 C230 R231C41-E227 HydrophobicContact CB-CB 4.49Å; K62-E227 HydrophobicContact CD-CG 4.38Å; K62-E227 WeakPolarHBondContact CD-OE2 3.37Å; K62-E227 WeakPolarHBondContact CE-OE1 3.25Å; K62-E227 WeakPolarHBondContact CE-OE2 3.42Å; K62-E227 IonicContact NZ-OE1 3.76Å; K62-E227 PolarHBondContact NZ-OE1 3.35Å; K62-E227 IonicContact NZ-OE2 2.66Å; K62-E227 PolarHBondContact NZ-OE2 3.04Å; S225-E227 PolarHBondContact O-N 3.14Å; S225-E227 VanDerWaalsContact O-N 3.16Å; E227-D229 VanDerWaalsContact C-N 3.29Å; E227-D229 PolarHBondContact O-N 3.29Å; E227-C230 WeakPolarHBondContact O-CB 3.45Å; E227-C230 PolarHBondContact O-N 3.1Å; E227-R231 HydrophobicContact CG-CG 4.3Å; E227-R231 VanDerWaalsContact O-CG 3.28Å; E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 3.39Å; E227-R231 IonicContact OE1-NE 3.8Å
228G98.2Very high96.1Very high7 Ų742.2 Ų42.27%0.07220%0.2CC..Hα-helixtrans-60.9-40-179.100000112.1H220 S225 R231 A232H220-G228 PolarHBondContact NE2-O 2.96Å; H220-G228 VanDerWaalsContact NE2-O 3.09Å; S225-G228 PolarHBondContact O-N 2.95Å; S225-G228 PolarHBondContact OG-N 2.96Å; G228-R231 PolarHBondContact O-N 2.87Å; G228-A232 PolarHBondContact O-N 3.32Å
229D98.4Very high96.2Very high16 Ų1644.2 Ų44.29%0.08621%0.206CC..Hα-helixtrans-72.8-39.1178.5-73.919.7000111D22 L208 H220 A223 H224 S225 E227 R231 A232 M233D22-D229 HydrophobicContact CB-CB 4.26Å; L208-D229 HydrophobicContact CD2-CB 3.88Å; H220-D229 IonicContact CE1-OD1 3.2Å; H220-D229 PolarHBondContact CE1-OD1 3.11Å; H220-D229 IonicContact NE2-OD1 2.8Å; H220-D229 PolarHBondContact NE2-OD1 2.81Å; A223-D229 WeakPolarHBondContact CA-OD1 3.4Å; H224-D229 PolarHBondContact N-OD1 2.89Å; S225-D229 PolarHBondContact O-N 3.39Å; E227-D229 VanDerWaalsContact C-N 3.29Å; E227-D229 PolarHBondContact O-N 3.29Å; D229-R231 VanDerWaalsContact C-N 3.34Å; D229-R231 PolarHBondContact O-N 2.99Å; D229-A232 PolarHBondContact O-N 3.34Å; D229-M233 PolarHBondContact O-N 2.72Å
230C98.5Very high96.2Very high0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-56.8-44.9168.2-750000112.6L20 L43 A226 E227 M233 L234L20-C230 VanDerWaalsContact C-SG 3.59Å; L20-C230 HydrophobicContact CB-CB 4.23Å; L20-C230 WeakPolarHBondContact CD2-O 3.23Å; L20-C230 PolarHBondContact O-SG 3.32Å; L20-C230 VanDerWaalsContact O-SG 3.38Å; L43-C230 HydrophobicContact CB-CB 4.08Å; L43-C230 HydrophobicContact CD2-CB 4.18Å; A226-C230 WeakPolarHBondContact O-CB 3.27Å; A226-C230 PolarHBondContact O-N 2.93Å; A226-C230 VanDerWaalsContact O-N 3.12Å; A226-C230 PolarHBondContact O-SG 3.42Å; E227-C230 WeakPolarHBondContact O-CB 3.45Å; E227-C230 PolarHBondContact O-N 3.1Å; C230-M233 PolarHBondContact O-N 2.93Å; C230-L234 PolarHBondContact O-N 2.92Å
231R97.7Very high96.3Very high50 Ų5036.6 Ų36.619%0.18918%0.176CC..Hα-helixtrans-63.6-41.2178.7-70.5-72.3175.2-152.6-0.9112.1L43 E60 E227 G228 D229 L234 R235L43-R231 HydrophobicContact CD2-CG 4.47Å; L43-R231 VanDerWaalsContact CD2-NH1 3.29Å; E60-R231 IonicContact OE1-CZ 3.32Å; E60-R231 IonicContact OE1-NH1 3.99Å; E60-R231 PolarHBondContact OE1-NH1 2.89Å; E60-R231 IonicContact OE2-CZ 2.98Å; E60-R231 IonicContact OE2-NH1 3.69Å; E60-R231 PolarHBondContact OE2-NH1 2.64Å; E60-R231 IonicContact OE2-NH2 3.94Å; E60-R231 PolarHBondContact OE2-NH2 3.06Å; E227-R231 HydrophobicContact CG-CG 4.3Å; E227-R231 VanDerWaalsContact O-CG 3.28Å; E227-R231 WeakPolarHBondContact O-CG 3.29Å; E227-R231 PolarHBondContact O-N 3.39Å; E227-R231 IonicContact OE1-NE 3.8Å; G228-R231 PolarHBondContact O-N 2.87Å; D229-R231 VanDerWaalsContact C-N 3.34Å; D229-R231 PolarHBondContact O-N 2.99Å; R231-L234 WeakPolarHBondContact O-CB 2.99Å; R231-L234 PolarHBondContact O-N 3.34Å; R231-R235 WeakPolarHBondContact O-CG 3.48Å; R231-R235 PolarHBondContact O-N 3.37Å; R231-R235 VanDerWaalsContact O-N 3.07Å
232A97.7Very high96.6Very high1 Ų132 Ų321%0.00816%0.16CC..Hα-helixtrans-62.7-43.1175.300000112L208 H220 G228 D229 L234 R235 L236L208-A232 HydrophobicContact CD1-CB 4.28Å; L208-A232 HydrophobicContact CD2-CB 4.13Å; L208-A232 HydrophobicContact CG-CB 4.11Å; H220-A232 VanDerWaalsContact NE2-CB 3.32Å; H220-A232 WeakPolarHBondContact NE2-CB 3.39Å; G228-A232 PolarHBondContact O-N 3.32Å; D229-A232 PolarHBondContact O-N 3.34Å; A232-L234 PolarHBondContact O-N 2.88Å; A232-R235 PolarHBondContact O-N 2.69Å; A232-L236 WeakPolarHBondContact O-CG 3.23Å; A232-L236 PolarHBondContact O-N 3.06Å; A232-L236 VanDerWaalsContact O-N 3.08Å
233M98Very high96.7Very high0 Ų027.6 Ų27.60%015%0.145CC..Hα-helixtrans-60.7-43173.1-73.4-167.1-72.200112.3F21 D22 H118 T155 L208 D229 C230 R235 L236 V237F21-M233 WeakPolarHBondContact O-CE 3.46Å; D22-M233 HydrophobicContact CB-CE 4.4Å; H118-M233 HydrophobicContact CB-CG 4.31Å; H118-M233 HydrophobicContact CB-SD 3.7Å; H118-M233 PolarHBondContact N-SD 3.38Å; T155-M233 HydrophobicContact CG2-SD 4.22Å; L208-M233 HydrophobicContact CD1-CG 3.71Å; L208-M233 HydrophobicContact CD2-CG 4.04Å; D229-M233 PolarHBondContact O-N 2.72Å; C230-M233 PolarHBondContact O-N 2.93Å; M233-R235 VanDerWaalsContact C-N 3.34Å; M233-R235 PolarHBondContact O-N 3.45Å; M233-L236 PolarHBondContact O-N 3.48Å; M233-V237 WeakPolarHBondContact O-CG2 3.22Å; M233-V237 PolarHBondContact O-N 2.94Å
234L97.3Very high96.8Very high0 Ų025.8 Ų25.80%013%0.129CC..Hα-helixtrans-53.8-52.9177.1-172.8132.9000110.9L20 L43 L50 E56 P57 C230 R231 A232 L236 V237 Q238L20-L234 HydrophobicContact CD2-CB 3.26Å; L20-L234 HydrophobicContact CD2-CD1 3.72Å; L20-L234 HydrophobicContact CD2-CG 3.85Å; L43-L234 HydrophobicContact CD2-CB 4.47Å; L43-L234 HydrophobicContact CD2-CD1 3.94Å; L43-L234 HydrophobicContact CG-CD1 4.45Å; L50-L234 HydrophobicContact CD2-CG 4.31Å; E56-L234 HydrophobicContact CB-CD2 4.19Å; E56-L234 HydrophobicContact CG-CD2 3.83Å; P57-L234 HydrophobicContact CG-CD1 4.39Å; C230-L234 PolarHBondContact O-N 2.92Å; R231-L234 WeakPolarHBondContact O-CB 2.99Å; R231-L234 PolarHBondContact O-N 3.34Å; A232-L234 PolarHBondContact O-N 2.88Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 3.29Å; L234-V237 PolarHBondContact O-N 3.19Å; L234-Q238 VanDerWaalsContact O-CB 3.24Å; L234-Q238 WeakPolarHBondContact O-CB 3.44Å; L234-Q238 PolarHBondContact O-N 3.32Å
235R96.1Very high96.9Very high60 Ų6021.8 Ų21.823%0.22611%0.111CC..Hα-helixtrans-63.1-40.7-177.1-68.4178.168.1177.9-0.7111.7E56 F216 E218 R231 A232 M233 Q238 Y239E56-R235 HydrophobicContact CG-CG 4.31Å; E56-R235 WeakPolarHBondContact OE1-CD 3.31Å; E56-R235 VanDerWaalsContact OE1-CG 3.26Å; E56-R235 WeakPolarHBondContact OE1-CG 3.39Å; E56-R235 IonicContact OE1-NE 2.7Å; F216-R235 HydrophobicContact CE2-CB 3.72Å; F216-R235 HydrophobicContact CZ-CB 3.66Å; F216-R235 WeakPolarHBondContact CZ-O 3.3Å; E218-R235 IonicContact OE1-CZ 2.71Å; E218-R235 IonicContact OE1-NH1 3.85Å; E218-R235 PolarHBondContact OE1-NH1 3.42Å; E218-R235 IonicContact OE1-NH2 2.58Å; E218-R235 PolarHBondContact OE1-NH2 2.9Å; R231-R235 WeakPolarHBondContact O-CG 3.48Å; R231-R235 PolarHBondContact O-N 3.37Å; R231-R235 VanDerWaalsContact O-N 3.07Å; A232-R235 PolarHBondContact O-N 2.69Å; M233-R235 VanDerWaalsContact C-N 3.34Å; M233-R235 PolarHBondContact O-N 3.45Å; R235-Q238 PolarHBondContact O-N 2.78Å; R235-Y239 VanDerWaalsContact O-CB 3.27Å; R235-Y239 WeakPolarHBondContact O-CB 3.27Å; R235-Y239 PolarHBondContact O-N 3.18Å
236L96.6Very high96.7Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-67.6-42.9178.1-72.4172.2000112.6F159 L166 L208 I211 V215 F216 A232 M233 L234 Q238 Y239 L240F159-L236 HydrophobicContact CE1-CB 3.89Å; F159-L236 HydrophobicContact CE2-CB 4.45Å; F159-L236 HydrophobicContact CE2-CD1 3.86Å; F159-L236 HydrophobicContact CZ-CB 3.6Å; F159-L236 HydrophobicContact CZ-CD1 3.84Å; F159-L236 HydrophobicContact CZ-CG 4.37Å; L166-L236 HydrophobicContact CD2-CD2 4.31Å; L208-L236 HydrophobicContact CD1-CD1 3.67Å; I211-L236 HydrophobicContact CB-CD1 4.12Å; I211-L236 HydrophobicContact CG2-CD1 3.87Å; I211-L236 HydrophobicContact CG2-CD2 3.65Å; I211-L236 HydrophobicContact CG2-CG 4.41Å; V215-L236 HydrophobicContact CB-CD2 4.04Å; V215-L236 HydrophobicContact CG1-CD2 4.31Å; V215-L236 HydrophobicContact CG2-CD2 3.88Å; F216-L236 HydrophobicContact CE2-CD2 3.83Å; F216-L236 HydrophobicContact CE2-CG 4.18Å; F216-L236 HydrophobicContact CZ-CD2 4.41Å; A232-L236 WeakPolarHBondContact O-CG 3.23Å; A232-L236 PolarHBondContact O-N 3.06Å; A232-L236 VanDerWaalsContact O-N 3.08Å; M233-L236 PolarHBondContact O-N 3.48Å; L234-L236 VanDerWaalsContact C-N 3.33Å; L234-L236 PolarHBondContact O-N 3.29Å; L236-Q238 VanDerWaalsContact C-N 3.33Å; L236-Y239 PolarHBondContact O-N 2.84Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.83Å
237V96.9Very high96.7Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-63.7-42.9174.8172.10000110.3L50 T155 L158 M233 L234 L240 G241 A244 I245 L248L50-V237 HydrophobicContact CD1-CG1 3.89Å; T155-V237 HydrophobicContact CG2-CG2 4.45Å; L158-V237 HydrophobicContact CD2-CG2 4.33Å; M233-V237 WeakPolarHBondContact O-CG2 3.22Å; M233-V237 PolarHBondContact O-N 2.94Å; L234-V237 PolarHBondContact O-N 3.19Å; V237-L240 PolarHBondContact O-N 3.2Å; V237-G241 PolarHBondContact O-N 2.97Å; V237-A244 HydrophobicContact CG1-CB 4.33Å; V237-I245 HydrophobicContact CG1-CD1 4.28Å; V237-L248 HydrophobicContact CG1-CD1 4.24Å
238Q95.8Very high96.5Very high19 Ų1922.2 Ų22.29%0.08911%0.112CC..Hα-helixtrans-61.6-43.3175.6-178.417118.800112.7L50 A53 A55 L234 R235 L236 L240 G241L50-Q238 HydrophobicContact CD2-CB 4.16Å; L50-Q238 HydrophobicContact CD2-CG 4.47Å; A53-Q238 PolarHBondContact O-NE2 3.26Å; A55-Q238 PolarHBondContact O-NE2 3.49Å; L234-Q238 VanDerWaalsContact O-CB 3.24Å; L234-Q238 WeakPolarHBondContact O-CB 3.44Å; L234-Q238 PolarHBondContact O-N 3.32Å; R235-Q238 PolarHBondContact O-N 2.78Å; L236-Q238 VanDerWaalsContact C-N 3.33Å; Q238-L240 VanDerWaalsContact C-N 3.26Å; Q238-L240 PolarHBondContact O-N 3.27Å; Q238-G241 WeakPolarHBondContact O-CA 3.44Å; Q238-G241 PolarHBondContact O-N 3.39Å
239Y95Very high96.4Very high101 Ų10122.7 Ų22.740%0.39611%0.112SC..Hα-helixtrans-59.7-38.7178.4174.1-92.2000111.8Q165 L166 V215 F216 R235 L236 G241Q165-Y239 WeakPolarHBondContact O-CE1 3.37Å; Q165-Y239 PolarHBondContact O-OH 3.2Å; L166-Y239 HydrophobicContact CD2-CD1 4Å; L166-Y239 HydrophobicContact CD2-CE1 4.24Å; V215-Y239 HydrophobicContact CG1-CD1 3.73Å; V215-Y239 HydrophobicContact CG1-CD2 3.63Å; V215-Y239 HydrophobicContact CG1-CE1 3.82Å; V215-Y239 HydrophobicContact CG1-CE2 3.72Å; V215-Y239 HydrophobicContact CG1-CG 3.63Å; F216-Y239 HydrophobicContact CE1-CD2 4.22Å; R235-Y239 VanDerWaalsContact O-CB 3.27Å; R235-Y239 WeakPolarHBondContact O-CB 3.27Å; R235-Y239 PolarHBondContact O-N 3.18Å; L236-Y239 PolarHBondContact O-N 2.84Å; Y239-G241 VanDerWaalsContact C-N 3.34Å
240L95.5Very high96.2Very high8 Ų824.1 Ų24.14%0.04212%0.124CC..Hα-helixtrans-73.9-25.7173.6-66.9177.1000113L158 F159 F162 Q165 L166 L236 V237 Q238 P243 A244L158-L240 HydrophobicContact CG-CD1 4.4Å; F159-L240 HydrophobicContact CD1-CD1 4.02Å; F159-L240 HydrophobicContact CE1-CD1 4.2Å; F162-L240 HydrophobicContact CB-CD1 3.9Å; F162-L240 HydrophobicContact CB-CD2 3.67Å; F162-L240 HydrophobicContact CB-CG 4.45Å; F162-L240 HydrophobicContact CD1-CD2 4.46Å; F162-L240 HydrophobicContact CD2-CD1 4.18Å; F162-L240 HydrophobicContact CG-CD1 4.14Å; F162-L240 HydrophobicContact CG-CD2 4.13Å; Q165-L240 HydrophobicContact CB-CD2 3.93Å; L166-L240 HydrophobicContact CD1-CD1 4.46Å; L166-L240 HydrophobicContact CD2-CD1 4.32Å; L166-L240 HydrophobicContact CD2-CD2 3.78Å; L166-L240 HydrophobicContact CD2-CG 4.04Å; L166-L240 HydrophobicContact CG-CD2 4.02Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 2.83Å; V237-L240 PolarHBondContact O-N 3.2Å; Q238-L240 VanDerWaalsContact C-N 3.26Å; Q238-L240 PolarHBondContact O-N 3.27Å; L240-P243 VanDerWaalsContact O-CD 3.24Å; L240-P243 WeakPolarHBondContact O-CD 3.21Å; L240-A244 HydrophobicContact CB-CB 3.54Å; L240-A244 HydrophobicContact CD1-CB 4.08Å; L240-A244 HydrophobicContact CG-CB 4.48Å
241G94.9Very high96.1Very high10 Ų1026.9 Ų26.910%0.10314%0.136CC..  trans62.7-144.3173.900000113.8V237 Q238 Y239 P243 A244 I245V237-G241 PolarHBondContact O-N 2.97Å; Q238-G241 WeakPolarHBondContact O-CA 3.44Å; Q238-G241 PolarHBondContact O-N 3.39Å; Y239-G241 VanDerWaalsContact C-N 3.34Å; G241-P243 VanDerWaalsContact C-N 3.35Å; G241-A244 PolarHBondContact O-N 2.64Å; G241-I245 PolarHBondContact O-N 3.23Å
242S95.3Very high96Very high35 Ų3526.9 Ų26.925%0.24514%0.137CC..Hα-helixtrans-46.7-45.2-178.6-65.90000114.4E51 A244 I245 D246E51-S242 PolarHBondContact O-N 3.07Å; E51-S242 PolarHBondContact O-OG 2.59Å; S242-A244 VanDerWaalsContact C-N 3.31Å; S242-A244 PolarHBondContact O-N 2.92Å; S242-I245 WeakPolarHBondContact O-CB 3.33Å; S242-I245 PolarHBondContact O-N 3.32Å; S242-D246 PolarHBondContact O-N 3.35Å
243P95.4Very high96Very high54 Ų5429.1 Ų29.135%0.35115%0.148SC..Hα-helixtrans-52.4-41.5173.6-28.631.2000115.3F162 L240 G241 W247F162-P243 HydrophobicContact CD1-CB 4.43Å; F162-P243 HydrophobicContact CE1-CB 3.51Å; F162-P243 HydrophobicContact CZ-CB 3.72Å; F162-P243 WeakPolarHBondContact CZ-O 3.39Å; L240-P243 VanDerWaalsContact O-CD 3.24Å; L240-P243 WeakPolarHBondContact O-CD 3.21Å; G241-P243 VanDerWaalsContact C-N 3.35Å; P243-W247 WeakPolarHBondContact O-CB 3.45Å; P243-W247 PolarHBondContact O-N 3.06Å; P243-W247 VanDerWaalsContact O-N 3.1Å
244A96.3Very high95.9Very high0 Ų031.9 Ų31.90%016%0.163CC..Hα-helixtrans-69-39.617600000111.4L158 V237 L240 G241 S242 W247 L248L158-A244 HydrophobicContact CD1-CB 4.08Å; L158-A244 HydrophobicContact CD2-CB 4.24Å; V237-A244 HydrophobicContact CG1-CB 4.33Å; L240-A244 HydrophobicContact CB-CB 3.54Å; L240-A244 HydrophobicContact CD1-CB 4.08Å; L240-A244 HydrophobicContact CG-CB 4.48Å; G241-A244 PolarHBondContact O-N 2.64Å; S242-A244 VanDerWaalsContact C-N 3.31Å; S242-A244 PolarHBondContact O-N 2.92Å; A244-W247 WeakPolarHBondContact O-CB 3.38Å; A244-W247 PolarHBondContact O-N 3.24Å; A244-L248 WeakPolarHBondContact O-CG 3.16Å; A244-L248 PolarHBondContact O-N 2.91Å
245I95.9Very high96Very high1 Ų131.9 Ų31.91%0.00516%0.163CC..Hα-helixtrans-61.4-47.9177.3-54.7-62000110.8L18 R47 L50 E51 V237 G241 S242 W247 L248 Q249L18-I245 HydrophobicContact CD1-CD1 3.59Å; R47-I245 HydrophobicContact CB-CG2 4.36Å; L50-I245 HydrophobicContact CB-CD1 4.01Å; E51-I245 HydrophobicContact CG-CB 4.16Å; E51-I245 HydrophobicContact CG-CG1 3.81Å; E51-I245 HydrophobicContact CG-CG2 4.05Å; V237-I245 HydrophobicContact CG1-CD1 4.28Å; G241-I245 PolarHBondContact O-N 3.23Å; S242-I245 WeakPolarHBondContact O-CB 3.33Å; S242-I245 PolarHBondContact O-N 3.32Å; I245-W247 PolarHBondContact O-N 3.37Å; I245-L248 HydrophobicContact CD1-CD1 4.3Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-L248 VanDerWaalsContact O-N 3.15Å; I245-Q249 VanDerWaalsContact O-CG 3.27Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å
246D95.4Very high96.1Very high92 Ų9229.9 Ų29.949%0.49216%0.157SC..Hα-helixtrans-59.2-37.8176.4-73.8-25.1000112.4S242 Q249 S250S242-D246 PolarHBondContact O-N 3.35Å; D246-Q249 PolarHBondContact O-N 2.66Å; D246-S250 PolarHBondContact O-N 3.26Å; D246-S250 PolarHBondContact O-OG 3.1Å; D246-S250 VanDerWaalsContact O-OG 3.08Å
247W96.7Very high96.1Very high12 Ų1233.8 Ų33.85%0.04518%0.184CC..Hα-helixtrans-63.4-49174.7-16996.7000111.7L6 T153 P157 L158 E161 F162 P243 A244 I245 Q249 S250 H251L6-W247 HydrophobicContact CD2-CH2 4.49Å; T153-W247 WeakPolarHBondContact OG1-CZ3 3.24Å; P157-W247 HydrophobicContact CB-CH2 4.16Å; P157-W247 HydrophobicContact CB-CZ2 4.12Å; P157-W247 HydrophobicContact CG-CH2 3.86Å; P157-W247 HydrophobicContact CG-CZ2 4.34Å; L158-W247 HydrophobicContact CB-CD2 4.13Å; L158-W247 HydrophobicContact CB-CE3 3.79Å; L158-W247 HydrophobicContact CB-CH2 4.11Å; L158-W247 HydrophobicContact CB-CZ2 4.4Å; L158-W247 HydrophobicContact CB-CZ3 3.76Å; L158-W247 HydrophobicContact CD1-CB 3.67Å; L158-W247 HydrophobicContact CD1-CD2 3.49Å; L158-W247 VanDerWaalsContact CD1-CD2 3.49Å; L158-W247 HydrophobicContact CD1-CE3 3.55Å; L158-W247 HydrophobicContact CD1-CG 3.53Å; L158-W247 HydrophobicContact CD1-CZ3 4.4Å; L158-W247 HydrophobicContact CG-CD2 4.42Å; L158-W247 HydrophobicContact CG-CE3 4.18Å; E161-W247 PolarHBondContact OE1-NE1 2.78Å; E161-W247 PolarHBondContact OE2-NE1 2.9Å; F162-W247 HydrophobicContact CE2-CB 3.94Å; F162-W247 AromaticContact CE2-CD1 3.93Å; F162-W247 HydrophobicContact CE2-CG 4.04Å; F162-W247 HydrophobicContact CZ-CB 4.43Å; P243-W247 WeakPolarHBondContact O-CB 3.45Å; P243-W247 PolarHBondContact O-N 3.06Å; P243-W247 VanDerWaalsContact O-N 3.1Å; A244-W247 WeakPolarHBondContact O-CB 3.38Å; A244-W247 PolarHBondContact O-N 3.24Å; I245-W247 PolarHBondContact O-N 3.37Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.27Å; W247-S250 PolarHBondContact O-N 3.01Å; W247-H251 AromaticContact CD1-CE1 3.57Å; W247-H251 AromaticContact CD1-ND1 3.52Å; W247-H251 HydrophobicContact CD2-CB 3.92Å; W247-H251 AromaticContact CD2-CG 3.82Å; W247-H251 AromaticContact CD2-ND1 3.46Å; W247-H251 AromaticContact CE2-CD2 4Å; W247-H251 AromaticContact CE2-CE1 3.78Å; W247-H251 AromaticContact CE2-CG 3.49Å; W247-H251 VanDerWaalsContact CE2-CG 3.49Å; W247-H251 AromaticContact CE2-ND1 3.36Å; W247-H251 HydrophobicContact CE3-CB 3.77Å; W247-H251 AromaticContact CG-ND1 3.56Å; W247-H251 HydrophobicContact CH2-CB 3.5Å; W247-H251 VanDerWaalsContact CH2-CB 3.5Å; W247-H251 AromaticContact CH2-CG 3.97Å; W247-H251 HydrophobicContact CZ2-CB 3.67Å; W247-H251 AromaticContact CZ2-CD2 3.89Å; W247-H251 AromaticContact CZ2-CG 3.58Å; W247-H251 AromaticContact CZ2-ND1 3.95Å; W247-H251 HydrophobicContact CZ3-CB 3.57Å; W247-H251 AromaticContact NE1-CE1 3.36Å; W247-H251 PolarHBondContact NE1-CE1 3.13Å; W247-H251 AromaticContact NE1-CG 3.9Å; W247-H251 AromaticContact NE1-ND1 3.39Å; W247-H251 PolarHBondContact NE1-ND1 2.96Å; W247-H251 AromaticContact NE1-NE2 3.9Å; W247-H251 WeakPolarHBondContact O-CB 3.48Å; W247-H251 PolarHBondContact O-N 2.66Å; W247-H251 PolarHBondContact O-ND1 3.1Å
248L96Very high96.1Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-60.6-37.1179.1-63.1164.8000111.8L15 L18 I116 T153 L158 V237 A244 I245 S250L15-L248 HydrophobicContact CD1-CB 4.2Å; L18-L248 HydrophobicContact CD1-CD1 4.11Å; I116-L248 HydrophobicContact CD1-CD1 3.68Å; I116-L248 HydrophobicContact CD1-CD2 4.08Å; I116-L248 HydrophobicContact CG1-CD2 4.4Å; T153-L248 HydrophobicContact CG2-CD2 3.22Å; T153-L248 HydrophobicContact CG2-CG 4.42Å; L158-L248 HydrophobicContact CD2-CD2 4.38Å; V237-L248 HydrophobicContact CG1-CD1 4.24Å; A244-L248 WeakPolarHBondContact O-CG 3.16Å; A244-L248 PolarHBondContact O-N 2.91Å; I245-L248 HydrophobicContact CD1-CD1 4.3Å; I245-L248 PolarHBondContact O-N 3.36Å; I245-L248 VanDerWaalsContact O-N 3.15Å; L248-S250 PolarHBondContact O-N 2.99Å
249Q94.8Very high96.1Very high17 Ų1739.7 Ų39.78%0.07922%0.22CC..Hα-helixtrans-65.9-20.2176.7-69.5-178.1166.100113.7P12 L13 L15 I245 D246 W247 Y252P12-Q249 WeakPolarHBondContact CA-O 3.14Å; L13-Q249 PolarHBondContact N-O 2.86Å; L13-Q249 VanDerWaalsContact O-CB 3.23Å; L13-Q249 WeakPolarHBondContact O-CB 3.42Å; L13-Q249 WeakPolarHBondContact O-CG 3.39Å; L15-Q249 HydrophobicContact CD1-CG 4.08Å; L15-Q249 HydrophobicContact CG-CG 3.97Å; I245-Q249 VanDerWaalsContact O-CG 3.27Å; I245-Q249 WeakPolarHBondContact O-CG 3.39Å; I245-Q249 PolarHBondContact O-N 3.27Å; D246-Q249 PolarHBondContact O-N 2.66Å; W247-Q249 VanDerWaalsContact C-N 3.28Å; W247-Q249 PolarHBondContact O-N 3.27Å; Q249-Y252 WeakPolarHBondContact O-CD1 3.28Å; Q249-Y252 VanDerWaalsContact O-CE1 3.27Å; Q249-Y252 WeakPolarHBondContact O-CE1 3.46Å
250S95.5Very high96.2Very high47 Ų4735.9 Ų35.933%0.32921%0.208SC..Hα-helixtrans-110.3-15.9-176.7-53.70000113.3S10 D246 W247 L248S10-S250 PolarHBondContact OG-O 3.34Å; D246-S250 PolarHBondContact O-N 3.26Å; D246-S250 PolarHBondContact O-OG 3.1Å; D246-S250 VanDerWaalsContact O-OG 3.08Å; W247-S250 PolarHBondContact O-N 3.01Å; L248-S250 PolarHBondContact O-N 2.99Å
251H96Very high96.3Very high57 Ų5737.5 Ų37.526%0.26422%0.216SC..SBendtrans-125.174.6-174-63.393.5000110.2L6 T153 W247L6-H251 HydrophobicContact CD2-CB 3.55Å; T153-H251 WeakPolarHBondContact CB-O 3.47Å; T153-H251 PolarHBondContact OG1-O 3.5Å; W247-H251 AromaticContact CD1-CE1 3.57Å; W247-H251 AromaticContact CD1-ND1 3.52Å; W247-H251 HydrophobicContact CD2-CB 3.92Å; W247-H251 AromaticContact CD2-CG 3.82Å; W247-H251 AromaticContact CD2-ND1 3.46Å; W247-H251 AromaticContact CE2-CD2 4Å; W247-H251 AromaticContact CE2-CE1 3.78Å; W247-H251 AromaticContact CE2-CG 3.49Å; W247-H251 VanDerWaalsContact CE2-CG 3.49Å; W247-H251 AromaticContact CE2-ND1 3.36Å; W247-H251 HydrophobicContact CE3-CB 3.77Å; W247-H251 AromaticContact CG-ND1 3.56Å; W247-H251 HydrophobicContact CH2-CB 3.5Å; W247-H251 VanDerWaalsContact CH2-CB 3.5Å; W247-H251 AromaticContact CH2-CG 3.97Å; W247-H251 HydrophobicContact CZ2-CB 3.67Å; W247-H251 AromaticContact CZ2-CD2 3.89Å; W247-H251 AromaticContact CZ2-CG 3.58Å; W247-H251 AromaticContact CZ2-ND1 3.95Å; W247-H251 HydrophobicContact CZ3-CB 3.57Å; W247-H251 AromaticContact NE1-CE1 3.36Å; W247-H251 PolarHBondContact NE1-CE1 3.13Å; W247-H251 AromaticContact NE1-CG 3.9Å; W247-H251 AromaticContact NE1-ND1 3.39Å; W247-H251 PolarHBondContact NE1-ND1 2.96Å; W247-H251 AromaticContact NE1-NE2 3.9Å; W247-H251 WeakPolarHBondContact O-CB 3.48Å; W247-H251 PolarHBondContact O-N 2.66Å; W247-H251 PolarHBondContact O-ND1 3.1Å
252Y95.9Very high96.2Very high50 Ų5037.7 Ų37.720%0.19621%0.214CC..  trans-136.8159.6-179.767-91.1000110.9S10 R11 L13 I151 C152 Q249S10-Y252 WeakPolarHBondContact OG-CE1 3.43Å; R11-Y252 PolarHBondContact O-OH 3.12Å; R11-Y252 VanDerWaalsContact O-OH 3.08Å; L13-Y252 HydrophobicContact CB-CE1 3.82Å; I151-Y252 HydrophobicContact CB-CD2 3.92Å; I151-Y252 HydrophobicContact CB-CG 4.47Å; I151-Y252 HydrophobicContact CD1-CD2 3.98Å; I151-Y252 HydrophobicContact CD1-CG 3.99Å; I151-Y252 HydrophobicContact CG2-CD2 3.7Å; I151-Y252 HydrophobicContact CG2-CE2 4.08Å; C152-Y252 WeakPolarHBondContact O-CA 3.32Å; Q249-Y252 WeakPolarHBondContact O-CD1 3.28Å; Q249-Y252 VanDerWaalsContact O-CE1 3.27Å; Q249-Y252 WeakPolarHBondContact O-CE1 3.46Å
253I96.3Very high95.8Very high48 Ų4842.5 Ų42.525%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-133.5159.4171.563.4164.3000110.2L121 I151 C152 F255 L258L121-I253 HydrophobicContact CD2-CD1 3.22Å; L121-I253 HydrophobicContact CD2-CG1 3.87Å; I151-I253 CarbonylContact C-O 3.6Å; I151-I253 VanDerWaalsContact CA-O 3.23Å; I151-I253 WeakPolarHBondContact CA-O 3.35Å; C152-I253 PolarHBondContact N-O 2.97Å; C152-I253 PolarHBondContact O-N 2.89Å; C152-I253 VanDerWaalsContact SG-CG1 3.52Å; I253-F255 PolarHBondContact O-N 3.05Å; I253-L258 HydrophobicContact CD1-CD1 4.24Å; I253-L258 HydrophobicContact CD1-CD2 3.32Å; I253-L258 HydrophobicContact CD1-CG 3.77Å
254N97.4Very high94.6Very high58 Ų5843 Ų4331%0.3124%0.236SC..EExtended strand (participates in β ladder)trans-70.4119.1172.5178.1-19.7000109.8P149 N256 S257P149-N254 WeakPolarHBondContact CB-ND2 3.47Å; P149-N254 WeakPolarHBondContact CB-OD1 3.32Å; N254-N256 VanDerWaalsContact C-N 3.29Å; N254-N256 PolarHBondContact O-N 3.19Å; N254-N256 WeakPolarHBondContact OD1-CB 3.15Å; N254-N256 PolarHBondContact OD1-N 2.67Å; N254-S257 WeakPolarHBondContact O-CB 3.43Å; N254-S257 PolarHBondContact O-N 2.98Å; N254-S257 PolarHBondContact O-OG 3.48Å
255F98.2Very high92.9Very high0 Ų052.2 Ų52.20%028%0.279CS..G310 helixtrans-56.4-42.5-179.8172.2-98000112.1F115 F125 L128 R129 I132 L142 I150 C152 I253 S257 L258F115-F255 HydrophobicContact CD2-CD2 4.11Å; F115-F255 HydrophobicContact CD2-CE2 4.42Å; F115-F255 HydrophobicContact CD2-CG 4.48Å; F115-F255 HydrophobicContact CE2-CD2 4.47Å; F125-F255 HydrophobicContact CB-CD2 4.07Å; F125-F255 HydrophobicContact CB-CE2 3.88Å; F125-F255 HydrophobicContact CD1-CD2 4.49Å; F125-F255 HydrophobicContact CD1-CE2 4.43Å; F125-F255 HydrophobicContact CG-CD2 4.44Å; F125-F255 HydrophobicContact CG-CE2 4.5Å; L128-F255 HydrophobicContact CB-CE2 4.45Å; L128-F255 HydrophobicContact CB-CZ 4.22Å; L128-F255 HydrophobicContact CD2-CE2 3.95Å; L128-F255 HydrophobicContact CD2-CZ 3.66Å; L128-F255 HydrophobicContact CG-CE2 4.42Å; L128-F255 HydrophobicContact CG-CZ 3.87Å; R129-F255 HydrophobicContact CB-CZ 4.34Å; I132-F255 HydrophobicContact CD1-CE1 4.21Å; I132-F255 HydrophobicContact CD1-CZ 4.29Å; L142-F255 HydrophobicContact CB-CD1 4.41Å; L142-F255 HydrophobicContact CD1-CD1 4.33Å; L142-F255 HydrophobicContact CD1-CE1 3.8Å; L142-F255 HydrophobicContact CD1-CZ 4.43Å; L142-F255 HydrophobicContact CG-CE1 4.32Å; I150-F255 HydrophobicContact CB-CB 4.34Å; I150-F255 HydrophobicContact CG2-CB 4.41Å; I150-F255 WeakPolarHBondContact O-CB 3.48Å; I150-F255 PolarHBondContact O-N 3.12Å; C152-F255 HydrophobicContact CB-CB 4.44Å; I253-F255 PolarHBondContact O-N 3.05Å; F255-S257 PolarHBondContact O-N 3.15Å; F255-S257 VanDerWaalsContact O-N 3.15Å; F255-L258 HydrophobicContact CD2-CD1 4.08Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 3.24Å; F255-L258 VanDerWaalsContact O-N 3.12Å
256N97.8Very high90.9Very high18 Ų1856.3 Ų56.310%0.09630%0.304CS..G310 helixtrans-66.6-18.4-178.4-63.1-47.9000113.1R129 N141 L142 N254R129-N256 PolarHBondContact NH2-O 3.17Å; N141-N256 VanDerWaalsContact CA-OD1 3.31Å; N141-N256 WeakPolarHBondContact CA-OD1 3.36Å; N141-N256 HydrophobicContact CB-CB 4.34Å; N141-N256 WeakPolarHBondContact OD1-CB 3.43Å; L142-N256 PolarHBondContact N-OD1 3.04Å; L142-N256 PolarHBondContact O-ND2 3.44Å; N254-N256 VanDerWaalsContact C-N 3.29Å; N254-N256 PolarHBondContact O-N 3.19Å; N254-N256 WeakPolarHBondContact OD1-CB 3.15Å; N254-N256 PolarHBondContact OD1-N 2.67Å
257S96.6Very high88.7Confident82 Ų8255.5 Ų55.557%0.57331%0.306SS*.G310 helixtrans-85-7.1177.976.50000114.1N254 F255N254-S257 WeakPolarHBondContact O-CB 3.43Å; N254-S257 PolarHBondContact O-N 2.98Å; N254-S257 PolarHBondContact O-OG 3.48Å; F255-S257 PolarHBondContact O-N 3.15Å; F255-S257 VanDerWaalsContact O-N 3.15Å
258L96.8Very high86.2Confident27 Ų2758.7 Ų58.714%0.14134%0.343CS..SBendtrans-66.6141.9178.2-77.6172.6000112.1L121 F125 I253 F255L121-L258 HydrophobicContact CD2-CD2 4.2Å; F125-L258 HydrophobicContact CB-CD1 3.34Å; F125-L258 HydrophobicContact CD2-CD1 4.35Å; F125-L258 HydrophobicContact CG-CD1 4.22Å; I253-L258 HydrophobicContact CD1-CD1 4.24Å; I253-L258 HydrophobicContact CD1-CD2 3.32Å; I253-L258 HydrophobicContact CD1-CG 3.77Å; F255-L258 HydrophobicContact CD2-CD1 4.08Å; F255-L258 WeakPolarHBondContact O-CB 3.31Å; F255-L258 PolarHBondContact O-N 3.24Å; F255-L258 VanDerWaalsContact O-N 3.12Å
259T96.6Very high83.8Confident116 Ų11663.5 Ų63.571%0.71237%0.372SS*.PPolyproline II helixtrans-70.4127.8168.2-56.60000108.9
260P97.1Very high81.7Confident21 Ų2167.2 Ų67.214%0.13640%0.4CS..PPolyproline II helixtrans-63.2149.7175.628.8-36.3000110.7R129 A130 M133 Y262R129-P260 HydrophobicContact CB-CB 4.4Å; R129-P260 HydrophobicContact CG-CB 4.16Å; A130-P260 HydrophobicContact CB-CB 3.86Å; M133-P260 HydrophobicContact CE-CG 4.1Å; M133-P260 HydrophobicContact SD-CB 3.78Å; M133-P260 HydrophobicContact SD-CG 3.72Å; P260-Y262 PolarHBondContact O-N 3.42Å
261M96.7Very high79.6Confident42 Ų4271.7 Ų71.721%0.20741%0.409CS..SBendtrans-56.5-35.6179.7-174.6177.1-76.300112.2P29 P35 F123 P126 L127 A130P29-M261 HydrophobicContact CB-CG 4.38Å; P29-M261 HydrophobicContact CB-SD 3.86Å; P29-M261 HydrophobicContact CG-CE 4.28Å; P29-M261 HydrophobicContact CG-SD 4Å; P35-M261 HydrophobicContact CG-SD 3.6Å; F123-M261 HydrophobicContact CD2-CE 3.77Å; F123-M261 HydrophobicContact CE2-CE 4.22Å; F123-M261 HydrophobicContact CG-CE 4.36Å; F123-M261 VanDerWaalsContact O-CE 3.25Å; F123-M261 WeakPolarHBondContact O-CE 3.39Å; P126-M261 HydrophobicContact CB-CB 3.95Å; P126-M261 PolarHBondContact O-N 3.39Å; L127-M261 HydrophobicContact CB-CE 3.71Å; L127-M261 HydrophobicContact CB-SD 4.17Å; L127-M261 HydrophobicContact CD1-SD 4.19Å; A130-M261 HydrophobicContact CB-CB 4.38Å
262Y94.7Very high77.6Confident15 Ų1575.5 Ų75.56%0.05943%0.43CS..SBendtrans-153.2159.1175.850.8-99000109.9N34 P35 L127 A130 Q131 P260 L264N34-Y262 HydrophobicContact CB-CD1 3.47Å; N34-Y262 VanDerWaalsContact CB-CD1 3.47Å; N34-Y262 HydrophobicContact CB-CD2 4.09Å; N34-Y262 HydrophobicContact CB-CE1 3.69Å; N34-Y262 HydrophobicContact CB-CE2 4.28Å; N34-Y262 HydrophobicContact CB-CG 3.7Å; N34-Y262 WeakPolarHBondContact OD1-CB 2.99Å; P35-Y262 WeakPolarHBondContact O-CE1 3.04Å; P35-Y262 PolarHBondContact O-OH 3.44Å; L127-Y262 HydrophobicContact CD1-CE1 3.8Å; A130-Y262 HydrophobicContact CB-CD1 4.36Å; A130-Y262 HydrophobicContact CB-CD2 4Å; A130-Y262 HydrophobicContact CB-CE1 4.14Å; A130-Y262 HydrophobicContact CB-CE2 3.74Å; A130-Y262 HydrophobicContact CB-CG 4.29Å; A130-Y262 WeakPolarHBondContact CB-O 3.42Å; Q131-Y262 PolarHBondContact NE2-OH 3.48Å; P260-Y262 PolarHBondContact O-N 3.42Å; Y262-L264 HydrophobicContact CD2-CD1 4.25Å; Y262-L264 HydrophobicContact CD2-CG 3.96Å; Y262-L264 HydrophobicContact CE2-CD1 3.53Å; Y262-L264 HydrophobicContact CE2-CG 3.75Å
263N85.8Confident76.1Confident136 Ų13674.5 Ų74.573%0.72743%0.43SS*.  trans-96.1119.9172.6-66.5-49.3000109.3
264L70.9Confident75.1Confident65 Ų6576.9 Ų76.934%0.3445%0.452SS..  trans-89.5125.9166.7-84.2161.6000108.7Y262 T266Y262-L264 HydrophobicContact CD2-CD1 4.25Å; Y262-L264 HydrophobicContact CD2-CG 3.96Å; Y262-L264 HydrophobicContact CE2-CD1 3.53Å; Y262-L264 HydrophobicContact CE2-CG 3.75Å; L264-T266 PolarHBondContact O-N 2.97Å
265Q59.1Low74.6Confident192 Ų19276.7 Ų76.790%0.89745%0.45SS*.  trans-65.7107.6168-72.8-177.3-17.100107.6S267Q265-S267 PolarHBondContact O-N 2.92Å
266T54.3Low74.2Confident87 Ų8780 Ų8053%0.53447%0.465SS..  trans-6899.9173.250.10000108.2L264 G268L264-T266 PolarHBondContact O-N 2.97Å; T266-G268 PolarHBondContact O-N 3.42Å
267S48.7Very low73.9Confident75 Ų7580 Ų8052%0.52447%0.466SS..  trans-58107.1158.547.40000106.3Q265 T269Q265-S267 PolarHBondContact O-N 2.92Å; S267-T269 PolarHBondContact O-N 3.26Å; S267-T269 PolarHBondContact O-OG1 3.18Å
268G44.9Very low73.6Confident80 Ų8079.3 Ų79.383%0.82545%0.451SS*.SBendtrans-61.656.9-15700000117.8T266T266-G268 PolarHBondContact O-N 3.42Å
269T46.6Very low73.2Confident100 Ų10081 Ų8161%0.61346%0.458SS*.  trans-128.4113.9170.337.40000107.1S267 R271S267-T269 PolarHBondContact O-N 3.26Å; S267-T269 PolarHBondContact O-OG1 3.18Å; T269-R271 VanDerWaalsContact C-N 3.3Å; T269-R271 WeakPolarHBondContact O-CG 3.46Å; T269-R271 PolarHBondContact O-N 2.71Å
270S49.1Very low72.6Confident95 Ų9577 Ų7766%0.66443%0.43SS*.  trans-55.699.5165.3178.40000106.9I272S270-I272 PolarHBondContact O-N 2.91Å
271R52.2Low71.5Confident141 Ų14180.7 Ų80.753%0.53245%0.452SS..  trans-77.473.7-179.3-64.8-172-169-1753.8108T269 C273T269-R271 VanDerWaalsContact C-N 3.3Å; T269-R271 WeakPolarHBondContact O-CG 3.46Å; T269-R271 PolarHBondContact O-N 2.71Å; R271-C273 PolarHBondContact O-N 2.87Å
272I54.1Low70.2Confident137 Ų13785.3 Ų85.370%0.70347%0.471SS*.  trans-72.580.6149.5-57.6177.2000104.9S270S270-I272 PolarHBondContact O-N 2.91Å
273C64.7Low68.8Low29 Ų2987.8 Ų87.820%0.19649%0.488CS..  trans-88.7107.3168.6-1560000106.5K92 R271 L275K92-C273 PolarHBondContact NZ-O 3.16Å; R271-C273 PolarHBondContact O-N 2.87Å; C273-L275 PolarHBondContact O-N 2.95Å
274S74Confident67.6Low99 Ų9989 Ų8969%0.69248%0.484SS*.  trans-65.1-16.4170.853.10000112.1
275L87.2Confident67.3Low53 Ų5388.3 Ų88.328%0.27748%0.484SS..SBendtrans-84.6140.9-176.3-59.2177.2000112.1C273 Q279 R280 V283C273-L275 PolarHBondContact O-N 2.95Å; L275-Q279 HydrophobicContact CB-CB 4.03Å; L275-Q279 HydrophobicContact CD2-CB 4.2Å; L275-R280 HydrophobicContact CB-CG 4.15Å; L275-V283 HydrophobicContact CD1-CG2 3.99Å
276F91.3Very high67.3Low70 Ų7084 Ų8431%0.30747%0.467SS..  trans-66.7156.7166.6-76.4-104000111H90 K92 Y278 Q279 R280H90-F276 WeakPolarHBondContact O-CD1 2.95Å; H90-F276 VanDerWaalsContact O-CE1 3.26Å; H90-F276 WeakPolarHBondContact O-CE1 3.29Å; K92-F276 HydrophobicContact CB-CD1 4.38Å; K92-F276 HydrophobicContact CB-CE1 4.21Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 HydrophobicContact CB-CD1 3.67Å; F276-Y278 HydrophobicContact CB-CE1 3.37Å; F276-Y278 HydrophobicContact CD1-CE1 4.13Å; F276-Y278 HydrophobicContact CG-CD1 4.48Å; F276-Y278 AromaticContact CG-CE1 3.82Å; F276-Y278 HydrophobicContact CG-CE1 3.82Å; F276-Y278 PolarHBondContact O-N 3.3Å; F276-Q279 HydrophobicContact CB-CG 4.29Å; F276-Q279 WeakPolarHBondContact O-CB 3.47Å; F276-Q279 PolarHBondContact O-N 2.76Å; F276-R280 PolarHBondContact O-N 3.5Å
277P91Very high67.6Low18 Ų1883.3 Ų83.312%0.11746%0.462CS..Hα-helixtrans-48.8-46.6177-26.631.6000114.4N68 Q91 D93 Q279 R280 T281N68-P277 HydrophobicContact CB-CG 3.96Å; Q91-P277 WeakPolarHBondContact O-CD 3.5Å; D93-P277 HydrophobicContact CB-CG 4.17Å; P277-Q279 PolarHBondContact O-N 3.35Å; P277-R280 WeakPolarHBondContact O-CB 3.5Å; P277-R280 PolarHBondContact O-N 3.02Å; P277-T281 PolarHBondContact O-N 3.21Å
278Y89.6Confident68.1Low68 Ų6882.8 Ų82.827%0.26746%0.459SS..Hα-helixtrans-66.7-23.8-179.972.3-95.1000113.8F89 H90 F276F89-Y278 HydrophobicContact CE1-CD1 4.45Å; F89-Y278 HydrophobicContact CE1-CG 4.11Å; F89-Y278 VanDerWaalsContact CZ-CB 3.4Å; F89-Y278 HydrophobicContact CZ-CG 4.17Å; H90-Y278 AromaticContact ND1-CE1 3.81Å; F276-Y278 VanDerWaalsContact C-N 3.31Å; F276-Y278 HydrophobicContact CB-CD1 3.67Å; F276-Y278 HydrophobicContact CB-CE1 3.37Å; F276-Y278 HydrophobicContact CD1-CE1 4.13Å; F276-Y278 HydrophobicContact CG-CD1 4.48Å; F276-Y278 AromaticContact CG-CE1 3.82Å; F276-Y278 HydrophobicContact CG-CE1 3.82Å; F276-Y278 PolarHBondContact O-N 3.3Å
279Q89.1Confident68.6Low62 Ų6283.6 Ų83.629%0.2944%0.444SS..Hα-helixtrans-78.3-35.6176.5-64.1175.9-4800110.9L275 F276 P277 T281 K282 V283L275-Q279 HydrophobicContact CB-CB 4.03Å; L275-Q279 HydrophobicContact CD2-CB 4.2Å; F276-Q279 HydrophobicContact CB-CG 4.29Å; F276-Q279 WeakPolarHBondContact O-CB 3.47Å; F276-Q279 PolarHBondContact O-N 2.76Å; P277-Q279 PolarHBondContact O-N 3.35Å; Q279-T281 VanDerWaalsContact C-N 3.31Å; Q279-T281 PolarHBondContact O-N 2.94Å; Q279-K282 PolarHBondContact O-N 2.87Å; Q279-V283 PolarHBondContact O-N 3.28Å
280R83.4Confident69.2Low32 Ų3281.9 Ų81.912%0.12144%0.436CS..Hα-helixtrans-58.6-42.4176.3-74.2-176.7-73.4-166.41.4111.7D93 L275 F276 P277 K282 V283 Y284D93-R280 IonicContact OD1-NH2 2.75Å; D93-R280 PolarHBondContact OD1-NH2 3.48Å; D93-R280 IonicContact OD2-CZ 2.64Å; D93-R280 IonicContact OD2-NH1 2.66Å; D93-R280 PolarHBondContact OD2-NH1 3.26Å; D93-R280 IonicContact OD2-NH2 2.82Å; D93-R280 PolarHBondContact OD2-NH2 3Å; L275-R280 HydrophobicContact CB-CG 4.15Å; F276-R280 PolarHBondContact O-N 3.5Å; P277-R280 WeakPolarHBondContact O-CB 3.5Å; P277-R280 PolarHBondContact O-N 3.02Å; R280-K282 VanDerWaalsContact C-N 3.27Å; R280-K282 PolarHBondContact O-N 2.9Å; R280-V283 PolarHBondContact O-N 3.06Å; R280-Y284 HydrophobicContact CB-CD2 4.34Å; R280-Y284 HydrophobicContact CB-CE2 4.08Å; R280-Y284 WeakPolarHBondContact O-CD2 3.16Å; R280-Y284 PolarHBondContact O-N 3.03Å
281T73.5Confident69.5Low99 Ų9981.7 Ų81.761%0.60743%0.427SS*.Hα-helixtrans-59.3-38.3178.5-47.60000112.4P277 Q279 S285P277-T281 PolarHBondContact O-N 3.21Å; Q279-T281 VanDerWaalsContact C-N 3.31Å; Q279-T281 PolarHBondContact O-N 2.94Å; T281-S285 PolarHBondContact O-N 3.46Å; T281-S285 PolarHBondContact O-OG 3.18Å
282K69.1Low69.8Low138 Ų13878.1 Ų78.160%0.642%0.421SS*.Hα-helixtrans-68.2-42.2177-67.2-171.5177.4-172.50112.5Q279 R280 Y284 S285 D286Q279-K282 PolarHBondContact O-N 2.87Å; R280-K282 VanDerWaalsContact C-N 3.27Å; R280-K282 PolarHBondContact O-N 2.9Å; K282-Y284 VanDerWaalsContact C-N 3.35Å; K282-Y284 PolarHBondContact O-N 2.97Å; K282-S285 WeakPolarHBondContact CA-OG 3.02Å; K282-S285 PolarHBondContact O-N 3.17Å; K282-S285 PolarHBondContact O-OG 2.73Å; K282-D286 VanDerWaalsContact O-CG 3.25Å; K282-D286 PolarHBondContact O-N 2.97Å
283V67Low69.9Low68 Ų6875 Ų7541%0.41241%0.409SS..Hα-helixtrans-64-42.3177.81780000110.8L275 Q279 R280 S285 D286 V287L275-V283 HydrophobicContact CD1-CG2 3.99Å; Q279-V283 PolarHBondContact O-N 3.28Å; R280-V283 PolarHBondContact O-N 3.06Å; V283-S285 PolarHBondContact O-N 3.25Å; V283-D286 PolarHBondContact O-N 3.47Å; V283-V287 HydrophobicContact CG1-CG2 4.43Å; V283-V287 WeakPolarHBondContact O-CG2 3.38Å; V283-V287 PolarHBondContact O-N 2.88Å
284Y60.4Low69.6Low162 Ų16276.2 Ų76.264%0.63542%0.418SS*.Hα-helixtrans-67.1-34.9176.6-69.3-60.5000112.8R280 K282 S288R280-Y284 HydrophobicContact CB-CD2 4.34Å; R280-Y284 HydrophobicContact CB-CE2 4.08Å; R280-Y284 WeakPolarHBondContact O-CD2 3.16Å; R280-Y284 PolarHBondContact O-N 3.03Å; K282-Y284 VanDerWaalsContact C-N 3.35Å; K282-Y284 PolarHBondContact O-N 2.97Å; Y284-S288 WeakPolarHBondContact O-CB 3.37Å; Y284-S288 PolarHBondContact O-N 3.36Å; Y284-S288 PolarHBondContact O-OG 3.21Å
285S63.2Low68.7Low50 Ų5077.8 Ų77.835%0.3541%0.414SS..Hα-helixtrans-65-42.6172.558.60000111.7T281 K282 V283 S288 L289T281-S285 PolarHBondContact O-N 3.46Å; T281-S285 PolarHBondContact O-OG 3.18Å; K282-S285 WeakPolarHBondContact CA-OG 3.02Å; K282-S285 PolarHBondContact O-N 3.17Å; K282-S285 PolarHBondContact O-OG 2.73Å; V283-S285 PolarHBondContact O-N 3.25Å; S285-S288 PolarHBondContact O-N 3.03Å; S285-S288 PolarHBondContact O-OG 2.85Å; S285-L289 WeakPolarHBondContact O-CB 3.42Å; S285-L289 WeakPolarHBondContact O-CD1 3.47Å; S285-L289 VanDerWaalsContact O-CG 3.24Å; S285-L289 WeakPolarHBondContact O-CG 3.5Å; S285-L289 PolarHBondContact O-N 2.79Å
286D59.8Low67.1Low100 Ų10080.6 Ų80.654%0.53543%0.429SS..Hα-helixtrans-67.3-39.9-179.2-67.1-15.7000112.3K282 V283 L289 S290K282-D286 VanDerWaalsContact O-CG 3.25Å; K282-D286 PolarHBondContact O-N 2.97Å; V283-D286 PolarHBondContact O-N 3.47Å; D286-L289 PolarHBondContact O-N 2.95Å; D286-S290 PolarHBondContact O-N 3.38Å; D286-S290 PolarHBondContact O-OG 3.38Å
287V61.6Low65.5Low73 Ų7382.1 Ų82.144%0.44244%0.44SS..Hα-helixtrans-65.1-45.2174.8174.80000110.8V283 L289 S290 D291V283-V287 HydrophobicContact CG1-CG2 4.43Å; V283-V287 WeakPolarHBondContact O-CG2 3.38Å; V283-V287 PolarHBondContact O-N 2.88Å; V287-L289 VanDerWaalsContact C-N 3.28Å; V287-L289 PolarHBondContact O-N 2.83Å; V287-S290 WeakPolarHBondContact CA-OG 3.24Å; V287-S290 PolarHBondContact O-N 3.37Å; V287-S290 PolarHBondContact O-OG 2.79Å; V287-D291 PolarHBondContact O-N 3.32Å
288S57.3Low63.9Low64 Ų6488.2 Ų88.245%0.44847%0.472SS..Hα-helixtrans-62.3-37.5176.974.80000112.1Y284 S285 D291 T292Y284-S288 WeakPolarHBondContact O-CB 3.37Å; Y284-S288 PolarHBondContact O-N 3.36Å; Y284-S288 PolarHBondContact O-OG 3.21Å; S285-S288 PolarHBondContact O-N 3.03Å; S285-S288 PolarHBondContact O-OG 2.85Å; S288-D291 PolarHBondContact O-N 2.97Å; S288-T292 WeakPolarHBondContact O-CG2 3.39Å; S288-T292 PolarHBondContact O-N 2.8Å; S288-T292 PolarHBondContact O-OG1 3.02Å
289L57.4Low62.2Low97 Ų9791.2 Ų91.251%0.50849%0.492SS..Hα-helixtrans-63.5-49.1174.9-77164.4000109.9S285 D286 V287 D291 T292 T293S285-L289 WeakPolarHBondContact O-CB 3.42Å; S285-L289 WeakPolarHBondContact O-CD1 3.47Å; S285-L289 VanDerWaalsContact O-CG 3.24Å; S285-L289 WeakPolarHBondContact O-CG 3.5Å; S285-L289 PolarHBondContact O-N 2.79Å; D286-L289 PolarHBondContact O-N 2.95Å; V287-L289 VanDerWaalsContact C-N 3.28Å; V287-L289 PolarHBondContact O-N 2.83Å; L289-D291 VanDerWaalsContact C-N 3.33Å; L289-D291 PolarHBondContact O-N 3.35Å; L289-T292 WeakPolarHBondContact CA-OG1 3.38Å; L289-T292 PolarHBondContact O-N 3.3Å; L289-T292 VanDerWaalsContact O-N 3.13Å; L289-T292 PolarHBondContact O-OG1 2.97Å; L289-T293 PolarHBondContact O-N 2.98Å; L289-T293 PolarHBondContact O-OG1 3.43Å
290S57.7Low60.2Low65 Ų6596.1 Ų96.146%0.45552%0.515SS..Hα-helixtrans-62-35.9178.359.50000114.2D286 V287 T293 S294D286-S290 PolarHBondContact O-N 3.38Å; D286-S290 PolarHBondContact O-OG 3.38Å; V287-S290 WeakPolarHBondContact CA-OG 3.24Å; V287-S290 PolarHBondContact O-N 3.37Å; V287-S290 PolarHBondContact O-OG 2.79Å; S290-T293 PolarHBondContact O-N 2.85Å; S290-S294 PolarHBondContact O-N 3.21Å; S290-S294 PolarHBondContact O-OG 2.99Å
291D56.2Low58.2Low90 Ų90102.8 Ų102.848%0.48155%0.552SS.*Hα-helixtrans-69.1-38.3174.9-80.2-16.8000111V287 S288 L289 S294 Q295V287-D291 PolarHBondContact O-N 3.32Å; S288-D291 PolarHBondContact O-N 2.97Å; L289-D291 VanDerWaalsContact C-N 3.33Å; L289-D291 PolarHBondContact O-N 3.35Å; D291-S294 PolarHBondContact O-OG 2.68Å; D291-Q295 WeakPolarHBondContact O-CB 3.32Å; D291-Q295 VanDerWaalsContact O-CG 3.26Å; D291-Q295 WeakPolarHBondContact O-CG 3.25Å; D291-Q295 PolarHBondContact O-N 3.37Å
292T58.1Low56.4Low66 Ų66111 Ų11141%0.40558%0.583SS.*Hα-helixtrans-68.8-37.4173.256.20000112.7S288 L289 Q295 L296S288-T292 WeakPolarHBondContact O-CG2 3.39Å; S288-T292 PolarHBondContact O-N 2.8Å; S288-T292 PolarHBondContact O-OG1 3.02Å; L289-T292 WeakPolarHBondContact CA-OG1 3.38Å; L289-T292 PolarHBondContact O-N 3.3Å; L289-T292 VanDerWaalsContact O-N 3.13Å; L289-T292 PolarHBondContact O-OG1 2.97Å; T292-Q295 PolarHBondContact O-N 2.87Å; T292-L296 WeakPolarHBondContact O-CB 3.44Å; T292-L296 VanDerWaalsContact O-CG 3.25Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 3.13Å
293T57.1Low55.8Low73 Ų73109.7 Ų109.745%0.44858%0.583SS.*Hα-helixtrans-65.3-42176.9-37.40000110.7L289 S290 Q295 L296 D297L289-T293 PolarHBondContact O-N 2.98Å; L289-T293 PolarHBondContact O-OG1 3.43Å; S290-T293 PolarHBondContact O-N 2.85Å; T293-Q295 VanDerWaalsContact C-N 3.35Å; T293-Q295 PolarHBondContact O-N 3.48Å; T293-L296 PolarHBondContact O-N 2.95Å; T293-D297 WeakPolarHBondContact O-CB 3.26Å; T293-D297 PolarHBondContact O-N 2.99Å
294S56.7Low55.2Low54 Ų54111.9 Ų111.938%0.37859%0.592SS.*Hα-helixtrans-69.3-29.2175.7650000113.6S290 D291 N298S290-S294 PolarHBondContact O-N 3.21Å; S290-S294 PolarHBondContact O-OG 2.99Å; D291-S294 PolarHBondContact O-OG 2.68Å; S294-N298 PolarHBondContact O-N 3.4Å; S294-N298 PolarHBondContact O-ND2 3.24Å
295Q55.2Low54.9Low131 Ų131109.1 Ų109.161%0.61259%0.589SS**Hα-helixtrans-74-32171.1-73.6178.216.300112.6D291 T292 T293D291-Q295 WeakPolarHBondContact O-CB 3.32Å; D291-Q295 VanDerWaalsContact O-CG 3.26Å; D291-Q295 WeakPolarHBondContact O-CG 3.25Å; D291-Q295 PolarHBondContact O-N 3.37Å; T292-Q295 PolarHBondContact O-N 2.87Å; T293-Q295 VanDerWaalsContact C-N 3.35Å; T293-Q295 PolarHBondContact O-N 3.48Å
296L54.8Low54.4Low112 Ų112112.6 Ų112.659%0.58660%0.603SS**Hα-helixtrans-77.7-32.8175.6-72.5168.2000112.7T292 T293 N298 L299T292-L296 WeakPolarHBondContact O-CB 3.44Å; T292-L296 VanDerWaalsContact O-CG 3.25Å; T292-L296 WeakPolarHBondContact O-CG 3.49Å; T292-L296 PolarHBondContact O-N 3.13Å; T293-L296 PolarHBondContact O-N 2.95Å; L296-N298 VanDerWaalsContact C-N 3.25Å; L296-N298 PolarHBondContact O-N 3.03Å; L296-L299 HydrophobicContact CD2-CD1 4.39Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.41Å
297D56.5Low54.1Low103 Ų103113.4 Ų113.455%0.55161%0.608SS**Hα-helixtrans-67-27.8174.1-77.4-20.8000112.1T293 L299T293-D297 WeakPolarHBondContact O-CB 3.26Å; T293-D297 PolarHBondContact O-N 2.99Å; D297-L299 PolarHBondContact O-N 3.46Å
298N58.8Low53.6Low146 Ų146116.1 Ų116.178%0.78162%0.619SS**THydrogen-bonded Turntrans-79.3-0.3171.7-73.8-50000113.9S294 L296S294-N298 PolarHBondContact O-N 3.4Å; S294-N298 PolarHBondContact O-ND2 3.24Å; L296-N298 VanDerWaalsContact C-N 3.25Å; L296-N298 PolarHBondContact O-N 3.03Å
299L53.6Low53.3Low130 Ų130119.8 Ų119.868%0.68163%0.631SS**THydrogen-bonded Turntrans-105.218.1175.4-79.6161.7000112.5L296 D297 L301L296-L299 HydrophobicContact CD2-CD1 4.39Å; L296-L299 WeakPolarHBondContact O-CB 3.45Å; L296-L299 PolarHBondContact O-N 3.41Å; D297-L299 PolarHBondContact O-N 3.46Å; L299-L301 PolarHBondContact O-N 2.89Å
300Q47.8Very low53Low166 Ų166121.5 Ų121.578%0.77664%0.64SS**  trans-7094.3167.1-72.9-160.6-17.200110.8E302Q300-E302 PolarHBondContact O-N 3.25Å
301L39.7Very low52.6Low171 Ų171126.3 Ų126.390%0.89566%0.656SS**  trans3.194150-68.9150.7000116.2L299L299-L301 PolarHBondContact O-N 2.89Å
302E37.3Very low52.3Low273 Ų273129.5 Ų129.5100%1.27667%0.672SS**  trans-171.50132.6-102.5177.7-168.800111.1Q300Q300-E302 PolarHBondContact O-N 3.25Å

Retrieved 302 of 302 residues in 88.8 ms (Link to these results)

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