A0A5K4FDM9_SCHMA Loading...

Autophagy protein 5 AlphaSync

Involved in autophagic vesicle formation.

AlphaFold DB , UniProt , Accession A0A5K4FDM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M51.2Low85Confident147 Ų14773 Ų7372%0.72437%0.369SS*.  0123.90-170.2169.8-81.700105.4N5 I6 R9M1-N5 HydrophobicContact CG-CB 3.75Å; M1-I6 HydrophobicContact SD-CG1 4.36Å; M1-R9 VanDerWaalsContact CE-NH2 3.33Å
2T62.2Low86Confident87 Ų8774.9 Ų74.953%0.53438%0.376SS..  trans-70.1150177.6490000109.3S4 N5T2-S4 PolarHBondContact O-N 2.98Å; T2-N5 VanDerWaalsContact O-CB 3.29Å; T2-N5 WeakPolarHBondContact O-CB 3.3Å; T2-N5 PolarHBondContact O-N 3.26Å; T2-N5 VanDerWaalsContact OG1-CG 3.26Å; T2-N5 PolarHBondContact OG1-ND2 2.81Å; T2-N5 PolarHBondContact OG1-OD1 2.69Å
3D79.2Confident86.8Confident77 Ų7770.5 Ų70.541%0.41236%0.361SS..Hα-helixtrans-59.3-31.1-179.6-64.5-39.8000112.6N5 I6 L7 W330 H334D3-N5 PolarHBondContact O-N 3.47Å; D3-I6 WeakPolarHBondContact O-CB 3.38Å; D3-I6 PolarHBondContact O-N 3.34Å; D3-L7 PolarHBondContact O-N 3.3Å; D3-W330 PolarHBondContact OD1-NE1 3.08Å; D3-H334 WeakPolarHBondContact CB-NE2 3.47Å
4S80.3Confident87.5Confident71 Ų7173.8 Ų73.850%0.49737%0.371SS..Hα-helixtrans-59-32.6171.9-176.50000113.3T2 I6 K8T2-S4 PolarHBondContact O-N 2.98Å; S4-I6 VanDerWaalsContact C-N 3.26Å; S4-I6 PolarHBondContact O-N 3Å; S4-K8 PolarHBondContact O-N 3.32Å
5N89.8Confident88Confident78 Ų7869 Ų6942%0.41735%0.347SS..Hα-helixtrans-69.5-27175.2-67.6-15.3000112.1M1 T2 D3 R9M1-N5 HydrophobicContact CG-CB 3.75Å; T2-N5 VanDerWaalsContact O-CB 3.29Å; T2-N5 WeakPolarHBondContact O-CB 3.3Å; T2-N5 PolarHBondContact O-N 3.26Å; T2-N5 VanDerWaalsContact OG1-CG 3.26Å; T2-N5 PolarHBondContact OG1-ND2 2.81Å; T2-N5 PolarHBondContact OG1-OD1 2.69Å; D3-N5 PolarHBondContact O-N 3.47Å; N5-R9 WeakPolarHBondContact O-CB 3.47Å; N5-R9 VanDerWaalsContact O-CG 3.25Å; N5-R9 WeakPolarHBondContact O-CG 3.41Å; N5-R9 PolarHBondContact O-N 3.05Å; N5-R9 VanDerWaalsContact O-N 3.13Å
6I93.3Very high88.5Confident32 Ų3267.3 Ų67.316%0.16434%0.343CS..Hα-helixtrans-72.9-48.2178-62.2171.5000109.4M1 D3 S4 K8 R9 V10 W330 H334 L335M1-I6 HydrophobicContact SD-CG1 4.36Å; D3-I6 WeakPolarHBondContact O-CB 3.38Å; D3-I6 PolarHBondContact O-N 3.34Å; S4-I6 VanDerWaalsContact C-N 3.26Å; S4-I6 PolarHBondContact O-N 3Å; I6-K8 VanDerWaalsContact C-N 3.27Å; I6-K8 PolarHBondContact O-N 3.44Å; I6-R9 PolarHBondContact O-N 3.27Å; I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.11Å; I6-V10 PolarHBondContact O-N 3.39Å; I6-W330 HydrophobicContact CD1-CH2 3.89Å; I6-W330 HydrophobicContact CD1-CZ2 3.54Å; I6-W330 HydrophobicContact CG2-CH2 4.44Å; I6-H334 HydrophobicContact CG2-CB 4.43Å; I6-L335 HydrophobicContact CG2-CD2 3.91Å
7L94.5Very high89Confident25 Ų2563.5 Ų63.513%0.13132%0.323CS..Hα-helixtrans-52-46.9175.1-69.7178.2000112.3D3 V10 W11 Y199 W203 H334D3-L7 PolarHBondContact O-N 3.3Å; L7-V10 PolarHBondContact O-N 3.45Å; L7-W11 WeakPolarHBondContact O-CB 3.43Å; L7-W11 PolarHBondContact O-N 3.5Å; L7-Y199 HydrophobicContact CB-CE2 4.27Å; L7-Y199 WeakPolarHBondContact CB-OH 3.3Å; L7-W203 HydrophobicContact CD1-CE3 4.44Å; L7-W203 HydrophobicContact CD1-CH2 4.13Å; L7-W203 HydrophobicContact CD1-CZ2 4.29Å; L7-W203 HydrophobicContact CD1-CZ3 4.21Å; L7-W203 HydrophobicContact CD2-CH2 3.54Å; L7-W203 HydrophobicContact CD2-CZ2 3.5Å; L7-W203 VanDerWaalsContact CD2-CZ2 3.5Å; L7-W203 HydrophobicContact CD2-CZ3 4.4Å; L7-W203 HydrophobicContact CG-CH2 4.44Å; L7-W203 HydrophobicContact CG-CZ2 4.33Å; L7-H334 HydrophobicContact CD2-CB 4.36Å
8K95.2Very high89.4Confident96 Ų9660.4 Ų60.442%0.41731%0.309SS..Hα-helixtrans-65.4-40.6178.6-172.4168.8179.1173.10112.3S4 I6 W11 E12 Y199S4-K8 PolarHBondContact O-N 3.32Å; I6-K8 VanDerWaalsContact C-N 3.27Å; I6-K8 PolarHBondContact O-N 3.44Å; K8-W11 PolarHBondContact O-N 3.2Å; K8-E12 WeakPolarHBondContact CE-OE1 3.49Å; K8-E12 HydrophobicContact CG-CG 4.31Å; K8-E12 IonicContact NZ-OE1 3.41Å; K8-E12 WeakPolarHBondContact O-CB 3.48Å; K8-E12 VanDerWaalsContact O-CG 3.3Å; K8-E12 WeakPolarHBondContact O-CG 3.15Å; K8-E12 PolarHBondContact O-N 3.28Å; K8-Y199 HydrophobicContact CB-CE2 4.18Å
9R95.5Very high89.8Confident161 Ų16157.3 Ų57.361%0.60829%0.293SS*.Hα-helixtrans-65.6-39.4176.3-78.2175.8171.6-149.1-3.5112.9M1 N5 I6 G13M1-R9 VanDerWaalsContact CE-NH2 3.33Å; N5-R9 WeakPolarHBondContact O-CB 3.47Å; N5-R9 VanDerWaalsContact O-CG 3.25Å; N5-R9 WeakPolarHBondContact O-CG 3.41Å; N5-R9 PolarHBondContact O-N 3.05Å; N5-R9 VanDerWaalsContact O-N 3.13Å; I6-R9 PolarHBondContact O-N 3.27Å; R9-G13 PolarHBondContact O-N 3.3Å; R9-G13 VanDerWaalsContact O-N 3.08Å
10V96.2Very high90.1Very high20 Ų2057.1 Ų57.112%0.12130%0.295CS..Hα-helixtrans-61-48.9173.6169.40000110I6 L7 E12 G13 V43 H318 L335I6-V10 HydrophobicContact CG2-CG2 4.41Å; I6-V10 WeakPolarHBondContact O-CG2 3.11Å; I6-V10 PolarHBondContact O-N 3.39Å; L7-V10 PolarHBondContact O-N 3.45Å; V10-E12 PolarHBondContact O-N 3.32Å; V10-G13 PolarHBondContact O-N 3.3Å; V10-V43 HydrophobicContact CG1-CG1 4.26Å; V10-V43 WeakPolarHBondContact O-CG1 3.27Å; V10-H318 VanDerWaalsContact CG1-CE1 3.43Å; V10-H318 WeakPolarHBondContact CG1-CE1 3.35Å; V10-H318 VanDerWaalsContact CG1-NE2 3.34Å; V10-H318 WeakPolarHBondContact CG1-NE2 3.46Å; V10-L335 HydrophobicContact CG2-CD2 3.57Å
11W97.2Very high90.4Very high9 Ų955.1 Ų55.13%0.03428%0.284CS..Hα-helixtrans-58.5-49.2177.8-176.6-87.6000112.2L7 K8 G13 V43 L194 F197 Y199 F202 P338L7-W11 WeakPolarHBondContact O-CB 3.43Å; L7-W11 PolarHBondContact O-N 3.5Å; K8-W11 PolarHBondContact O-N 3.2Å; W11-G13 PolarHBondContact O-N 3.39Å; W11-V43 HydrophobicContact CD2-CG2 4.48Å; W11-V43 HydrophobicContact CE3-CG2 4.44Å; W11-L194 HydrophobicContact CH2-CD1 4.46Å; W11-F197 AromaticContact CD1-CE2 3.95Å; W11-F197 AromaticContact CD1-CZ 3.8Å; W11-F197 AromaticContact CE2-CD2 4Å; W11-F197 HydrophobicContact CZ2-CD2 4.19Å; W11-F197 AromaticContact NE1-CD1 3.97Å; W11-F197 AromaticContact NE1-CD2 3.69Å; W11-F197 AromaticContact NE1-CE1 3.95Å; W11-F197 AromaticContact NE1-CE2 3.65Å; W11-F197 AromaticContact NE1-CG 3.87Å; W11-F197 AromaticContact NE1-CZ 3.81Å; W11-F197 PolarHBondContact NE1-O 3.41Å; W11-F197 WeakPolarHBondContact O-CE2 3.33Å; W11-F197 WeakPolarHBondContact O-CZ 3.34Å; W11-Y199 HydrophobicContact CB-CD2 3.75Å; W11-Y199 HydrophobicContact CB-CE2 4.24Å; W11-Y199 HydrophobicContact CD2-CD2 4Å; W11-Y199 HydrophobicContact CE3-CD2 4.49Å; W11-Y199 AromaticContact CG-CD2 3.65Å; W11-Y199 HydrophobicContact CG-CD2 3.65Å; W11-Y199 HydrophobicContact CG-CG 4.45Å; W11-F202 HydrophobicContact CE3-CD1 4.19Å; W11-F202 HydrophobicContact CH2-CB 3.56Å; W11-F202 AromaticContact CH2-CD1 3.97Å; W11-F202 HydrophobicContact CH2-CD1 3.97Å; W11-F202 HydrophobicContact CH2-CD2 4.1Å; W11-F202 AromaticContact CH2-CG 3.58Å; W11-F202 HydrophobicContact CH2-CG 3.58Å; W11-F202 HydrophobicContact CZ2-CB 4.34Å; W11-F202 HydrophobicContact CZ3-CB 3.9Å; W11-F202 AromaticContact CZ3-CD1 3.39Å; W11-F202 HydrophobicContact CZ3-CD1 3.39Å; W11-F202 HydrophobicContact CZ3-CD2 4.15Å; W11-F202 AromaticContact CZ3-CE1 3.95Å; W11-F202 HydrophobicContact CZ3-CE1 3.95Å; W11-F202 AromaticContact CZ3-CG 3.51Å; W11-F202 HydrophobicContact CZ3-CG 3.51Å; W11-P338 HydrophobicContact CE3-CG 4.37Å; W11-P338 HydrophobicContact CZ3-CB 4.41Å; W11-P338 HydrophobicContact CZ3-CG 3.96Å
12E96.9Very high92.4Very high96 Ų9648.3 Ų48.345%0.44925%0.252SS..Hα-helixtrans-76.1-7.1-176.1-69.6176.7168.200114.1K8 V10 K14K8-E12 WeakPolarHBondContact CE-OE1 3.49Å; K8-E12 HydrophobicContact CG-CG 4.31Å; K8-E12 IonicContact NZ-OE1 3.41Å; K8-E12 WeakPolarHBondContact O-CB 3.48Å; K8-E12 VanDerWaalsContact O-CG 3.3Å; K8-E12 WeakPolarHBondContact O-CG 3.15Å; K8-E12 PolarHBondContact O-N 3.28Å; V10-E12 PolarHBondContact O-N 3.32Å; E12-K14 WeakPolarHBondContact O-CG 3.44Å; E12-K14 PolarHBondContact O-N 3.14Å
13G96.4Very high93.8Very high18 Ų1850.8 Ų50.819%0.18626%0.261CS..  trans-57.6132.6179.900000112.6R9 V10 W11 R42R9-G13 PolarHBondContact O-N 3.3Å; R9-G13 VanDerWaalsContact O-N 3.08Å; V10-G13 PolarHBondContact O-N 3.3Å; W11-G13 PolarHBondContact O-N 3.39Å; G13-R42 WeakPolarHBondContact O-CG 3.17Å; G13-R42 PolarHBondContact O-N 3.14Å
14K96.7Very high94.3Very high116 Ų11652.4 Ų52.450%0.50427%0.266SS..EExtended strand (participates in β ladder)trans-130.1158.4-175.7-72.9170.2-174.3-174.40112.9E12 F39 L40E12-K14 WeakPolarHBondContact O-CG 3.44Å; E12-K14 PolarHBondContact O-N 3.14Å; K14-F39 HydrophobicContact CB-CB 4.18Å; K14-F39 HydrophobicContact CB-CD1 4.36Å; K14-F39 HydrophobicContact CD-CB 3.87Å; K14-F39 HydrophobicContact CG-CB 4.33Å; K14-L40 CarbonylContact C-O 3.55Å; K14-L40 WeakPolarHBondContact CA-O 3.16Å
15V94.8Very high94.7Very high2 Ų249.2 Ų49.21%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-122.9125.8173.1177.30000108.7A17 F39 L40 R42 F123 W134V15-A17 PolarHBondContact O-N 3.2Å; V15-F39 WeakPolarHBondContact O-CA 3.44Å; V15-L40 PolarHBondContact N-O 3.43Å; V15-L40 PolarHBondContact O-N 3.35Å; V15-R42 HydrophobicContact CG2-CG 3.83Å; V15-F123 HydrophobicContact CG1-CD1 4.43Å; V15-F123 HydrophobicContact CG1-CD2 3.4Å; V15-F123 VanDerWaalsContact CG1-CD2 3.4Å; V15-F123 HydrophobicContact CG1-CE2 3.54Å; V15-F123 HydrophobicContact CG1-CG 3.87Å; V15-F123 HydrophobicContact CG1-CZ 4.12Å; V15-F123 HydrophobicContact CG2-CB 4.21Å; V15-F123 HydrophobicContact CG2-CD1 4.01Å; V15-F123 HydrophobicContact CG2-CD2 4.31Å; V15-F123 HydrophobicContact CG2-CE1 4.47Å; V15-F123 HydrophobicContact CG2-CG 3.9Å; V15-W134 HydrophobicContact CG1-CB 4.32Å; V15-W134 HydrophobicContact CG1-CE3 4.02Å
16P96.4Very high94.6Very high42 Ų4246.1 Ų46.127%0.27323%0.227SC..EExtended strand (participates in β ladder)trans-71.1125.7171.729.6-32.5000109.7F39 I132 P133 W134P16-F39 HydrophobicContact CB-CD1 4.13Å; P16-F39 HydrophobicContact CB-CE1 3.91Å; P16-I132 HydrophobicContact CG-CB 4.18Å; P16-I132 HydrophobicContact CG-CG2 4.15Å; P16-P133 HydrophobicContact CB-CB 4.21Å; P16-W134 PolarHBondContact O-N 2.86Å
17A96.5Very high94.2Very high2 Ų245.4 Ų45.42%0.01723%0.225CC..EExtended strand (participates in β ladder)trans-128.9151.1179.500000111.7V15 F19 Y37 M38 L40 W134 I136V15-A17 PolarHBondContact O-N 3.2Å; A17-F19 HydrophobicContact CB-CE2 3.98Å; A17-F19 HydrophobicContact CB-CZ 4.46Å; A17-Y37 WeakPolarHBondContact O-CA 3.37Å; A17-M38 PolarHBondContact N-O 3.1Å; A17-M38 PolarHBondContact O-N 2.73Å; A17-L40 HydrophobicContact CB-CD1 3.51Å; A17-L40 HydrophobicContact CB-CG 3.81Å; A17-W134 CarbonylContact C-O 3.56Å; A17-W134 VanDerWaalsContact CA-O 3.28Å; A17-W134 WeakPolarHBondContact CA-O 3.39Å; A17-W134 HydrophobicContact CB-CB 4.41Å; A17-I136 HydrophobicContact CB-CD1 4.26Å
18C96.8Very high93.5Very high9 Ų950 Ų506%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-123.1119174.1176.50000107.7Y37 P133 W134 K135 I136C18-Y37 HydrophobicContact CB-CD1 3.77Å; C18-Y37 HydrophobicContact CB-CE1 3.57Å; C18-Y37 WeakPolarHBondContact SG-CE1 3.23Å; C18-Y37 VanDerWaalsContact SG-CZ 3.55Å; C18-P133 HydrophobicContact CB-CB 4.26Å; C18-P133 HydrophobicContact CB-CG 3.95Å; C18-W134 PolarHBondContact N-O 3.14Å; C18-K135 CarbonylContact O-C 3.54Å; C18-K135 WeakPolarHBondContact O-CA 3.4Å; C18-I136 PolarHBondContact O-N 3.14Å
19F97.4Very high92.7Very high0 Ų053.6 Ų53.60%026%0.264CS..EExtended strand (participates in β ladder)trans-98.5132.7177.6-67.4-89.7000110.6A17 P35 I36 M38 L40 T50 V53 F57 L106 I136 V138A17-F19 HydrophobicContact CB-CE2 3.98Å; A17-F19 HydrophobicContact CB-CZ 4.46Å; F19-P35 CarbonylContact O-C 3.46Å; F19-P35 VanDerWaalsContact O-CA 3.28Å; F19-P35 WeakPolarHBondContact O-CA 3.47Å; F19-I36 HydrophobicContact CB-CB 4.45Å; F19-I36 PolarHBondContact N-O 3.49Å; F19-I36 PolarHBondContact O-N 2.96Å; F19-M38 HydrophobicContact CD2-CG 4.12Å; F19-M38 HydrophobicContact CD2-SD 4.19Å; F19-M38 HydrophobicContact CE2-CG 3.66Å; F19-M38 HydrophobicContact CE2-SD 3.65Å; F19-M38 HydrophobicContact CZ-SD 4.48Å; F19-L40 HydrophobicContact CE2-CD1 4.23Å; F19-L40 HydrophobicContact CE2-CD2 3.95Å; F19-L40 HydrophobicContact CE2-CG 4.43Å; F19-L40 HydrophobicContact CZ-CD1 3.89Å; F19-L40 HydrophobicContact CZ-CD2 4Å; F19-L40 HydrophobicContact CZ-CG 4.47Å; F19-T50 HydrophobicContact CE1-CG2 3.83Å; F19-T50 HydrophobicContact CZ-CG2 3.74Å; F19-V53 HydrophobicContact CB-CG1 3.78Å; F19-V53 HydrophobicContact CD1-CG1 4.14Å; F19-V53 HydrophobicContact CD2-CG1 4.49Å; F19-V53 HydrophobicContact CD2-CG2 4.21Å; F19-V53 HydrophobicContact CG-CG1 3.89Å; F19-V53 HydrophobicContact CG-CG2 4.42Å; F19-F57 HydrophobicContact CB-CE2 3.97Å; F19-F57 HydrophobicContact CB-CZ 4.34Å; F19-F57 WeakPolarHBondContact O-CZ 3.2Å; F19-L106 HydrophobicContact CE1-CD1 4.44Å; F19-L106 HydrophobicContact CE1-CD2 4.38Å; F19-I136 VanDerWaalsContact CA-O 3.29Å; F19-I136 WeakPolarHBondContact CA-O 3.15Å; F19-I136 HydrophobicContact CD1-CB 3.91Å; F19-I136 HydrophobicContact CD1-CG2 3.92Å; F19-I136 HydrophobicContact CE1-CB 3.94Å; F19-I136 HydrophobicContact CE1-CD1 3.89Å; F19-I136 HydrophobicContact CE1-CG2 3.8Å; F19-I136 HydrophobicContact CZ-CD1 3.97Å; F19-V138 HydrophobicContact CB-CG2 4.36Å; F19-V138 HydrophobicContact CD1-CG2 3.88Å
20T96.4Very high91.9Very high54 Ų5453.3 Ų53.333%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-124.5150.117155.40000109.9P35 I136 T137 V138T20-P35 HydrophobicContact CG2-CB 4.05Å; T20-I136 PolarHBondContact N-O 2.59Å; T20-T137 CarbonylContact O-C 3.6Å; T20-T137 WeakPolarHBondContact O-CA 3.47Å; T20-T137 PolarHBondContact OG1-OG1 2.96Å; T20-V138 PolarHBondContact O-N 3.01Å
21L94.7Very high91.3Very high15 Ų1558.2 Ų58.28%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-80.9138.8170.2179.954.5000109.4D25 L26 P33 F57 F60 V138 F140L21-D25 HydrophobicContact CD1-CB 4.01Å; L21-L26 HydrophobicContact CD2-CD2 3.62Å; L21-L26 HydrophobicContact CG-CD2 4.09Å; L21-P33 HydrophobicContact CB-CG 4.01Å; L21-P33 HydrophobicContact CD2-CG 3.93Å; L21-F57 HydrophobicContact CB-CB 4.49Å; L21-F57 HydrophobicContact CB-CD1 4.43Å; L21-F57 HydrophobicContact CB-CD2 4.16Å; L21-F57 HydrophobicContact CB-CE2 4.45Å; L21-F57 HydrophobicContact CB-CG 4.15Å; L21-F57 HydrophobicContact CD1-CB 4.27Å; L21-F57 HydrophobicContact CD2-CB 4.28Å; L21-F60 HydrophobicContact CD2-CB 3.96Å; L21-V138 WeakPolarHBondContact CD1-O 3.49Å; L21-F140 HydrophobicContact CD1-CD2 3.69Å; L21-F140 HydrophobicContact CD1-CE2 3.65Å
22A94.1Very high90.8Very high5 Ų560.6 Ų60.64%0.04132%0.318CS..  trans-60.5137173.700000110.9E24 D25 T137 V138 H139A22-E24 VanDerWaalsContact C-N 3.27Å; A22-E24 HydrophobicContact CB-CG 4Å; A22-E24 PolarHBondContact O-N 3.17Å; A22-D25 HydrophobicContact CB-CB 4.41Å; A22-D25 PolarHBondContact O-N 3.06Å; A22-D25 VanDerWaalsContact O-N 3.1Å; A22-T137 HydrophobicContact CB-CG2 3.78Å; A22-V138 WeakPolarHBondContact CB-O 3.44Å; A22-V138 PolarHBondContact N-O 3.13Å; A22-H139 VanDerWaalsContact CB-CE1 3.48Å; A22-H139 WeakPolarHBondContact CB-CE1 3.37Å; A22-H139 WeakPolarHBondContact CB-ND1 3.48Å
23L91.4Very high90.6Very high139 Ų13956.8 Ų56.873%0.72830%0.302SS*.G310 helixtrans-62.1-36.6-178-65.6177000112.2D25 L26L23-D25 PolarHBondContact O-N 3.45Å; L23-L26 HydrophobicContact CD2-CD1 3.68Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 3.25Å
24E89.6Confident90.4Very high111 Ų11160 Ų6052%0.51932%0.319SS..G310 helixtrans-64-20.5177.259.7-179.7-170.800113.9A22 H139A22-E24 VanDerWaalsContact C-N 3.27Å; A22-E24 HydrophobicContact CB-CG 4Å; A22-E24 PolarHBondContact O-N 3.17Å; E24-H139 IonicContact OE1-CE1 2.78Å; E24-H139 PolarHBondContact OE1-CE1 3.22Å; E24-H139 IonicContact OE1-ND1 3.56Å; E24-H139 PolarHBondContact OE1-ND1 2.93Å
25D88.5Confident90.4Very high3 Ų357.3 Ų57.32%0.01631%0.314CS..G310 helixtrans-96.7-6.9180-75.5-44.1000113.2L21 A22 L23 S61 E62 H139 F140 S141L21-D25 HydrophobicContact CD1-CB 4.01Å; A22-D25 HydrophobicContact CB-CB 4.41Å; A22-D25 PolarHBondContact O-N 3.06Å; A22-D25 VanDerWaalsContact O-N 3.1Å; L23-D25 PolarHBondContact O-N 3.45Å; D25-S61 WeakPolarHBondContact O-CA 3.4Å; D25-S61 WeakPolarHBondContact O-CB 3.5Å; D25-S61 PolarHBondContact O-OG 2.93Å; D25-S61 VanDerWaalsContact O-OG 3.06Å; D25-E62 PolarHBondContact O-N 3.33Å; D25-E62 VanDerWaalsContact O-N 3.17Å; D25-H139 WeakPolarHBondContact OD2-CA 3.34Å; D25-F140 PolarHBondContact OD2-N 3.04Å; D25-S141 WeakPolarHBondContact OD1-CB 3.45Å; D25-S141 PolarHBondContact OD1-N 3.1Å; D25-S141 VanDerWaalsContact OD1-N 3.13Å; D25-S141 PolarHBondContact OD1-OG 3.4Å
26L87.9Confident90.5Very high13 Ų1358.7 Ų58.77%0.06832%0.32CS..BIsolated β-bridgetrans-67.3134178.3-71174000111.1L21 L23 H28 A32L21-L26 HydrophobicContact CD2-CD2 3.62Å; L21-L26 HydrophobicContact CG-CD2 4.09Å; L23-L26 HydrophobicContact CD2-CD1 3.68Å; L23-L26 WeakPolarHBondContact O-CB 3.44Å; L23-L26 PolarHBondContact O-N 3.25Å; L26-H28 VanDerWaalsContact C-N 3.33Å; L26-A32 HydrophobicContact CD1-CB 3.87Å; L26-A32 HydrophobicContact CD2-CB 4.17Å
27A84.3Confident90.5Very high17 Ų1764 Ų6414%0.1434%0.336CS..SBendtrans-68.2-34.2172.900000113F60 E62 L65A27-F60 WeakPolarHBondContact CB-O 3.48Å; A27-F60 PolarHBondContact N-O 3.34Å; A27-E62 HydrophobicContact CB-CB 4.23Å; A27-E62 HydrophobicContact CB-CG 4.23Å; A27-L65 HydrophobicContact CB-CD1 3.93Å
28H81.2Confident90.5Very high121 Ų12166.6 Ų66.656%0.5635%0.349SS*.  trans-144.6126.3177.9-60.3-58.4000109.2L26 D30 H31L26-H28 VanDerWaalsContact C-N 3.33Å; H28-D30 PolarHBondContact O-N 3.03Å; H28-H31 HydrophobicContact CB-CB 4.24Å; H28-H31 PolarHBondContact O-N 3.23Å
29E77.8Confident90.5Very high173 Ų17372.9 Ų72.981%0.80838%0.375SS*.G310 helixtrans-58.1-34.6-179.8-65.9-170.2163.400112.5H31E29-H31 PolarHBondContact O-N 3.25Å
30D79.4Confident90.5Very high154 Ų15472.9 Ų72.982%0.82438%0.375SS*.G310 helixtrans-72-10.7179.4-64.6-36.8000114.2H28H28-D30 PolarHBondContact O-N 3.03Å
31H83.5Confident90.6Very high124 Ų12471.1 Ų71.157%0.57436%0.364SS*.G310 helixtrans-124.642.5-172.8-61.283.4000112.2H28 E29 F60H28-H31 HydrophobicContact CB-CB 4.24Å; H28-H31 PolarHBondContact O-N 3.23Å; E29-H31 PolarHBondContact O-N 3.25Å; H31-F60 WeakPolarHBondContact O-CD1 2.93Å
32A86.6Confident90.7Very high59 Ų5971.4 Ų71.449%0.48836%0.364SS..PPolyproline II helixtrans-64.5133.7174.500000111.8L26L26-A32 HydrophobicContact CD1-CB 3.87Å; L26-A32 HydrophobicContact CD2-CB 4.17Å
33P92Very high90.9Very high16 Ų1671.2 Ų71.210%0.10436%0.363CS..PPolyproline II helixtrans-68.5148.3175.428.5-31.9000110.6L21 F57 F60L21-P33 HydrophobicContact CB-CG 4.01Å; L21-P33 HydrophobicContact CD2-CG 3.93Å; P33-F57 HydrophobicContact CB-CD1 4.01Å; P33-F57 HydrophobicContact CB-CE1 4.04Å; P33-F57 HydrophobicContact CG-CD1 3.72Å; P33-F57 HydrophobicContact CG-CE1 3.91Å; P33-F60 HydrophobicContact CB-CD1 3.98Å; P33-F60 HydrophobicContact CB-CD2 3.73Å; P33-F60 HydrophobicContact CB-CE1 4.08Å; P33-F60 HydrophobicContact CB-CE2 3.85Å; P33-F60 HydrophobicContact CB-CG 3.8Å; P33-F60 HydrophobicContact CB-CZ 4.02Å; P33-F60 HydrophobicContact CG-CB 4.04Å; P33-F60 HydrophobicContact CG-CD1 4.3Å; P33-F60 HydrophobicContact CG-CD2 4.06Å; P33-F60 HydrophobicContact CG-CG 3.87Å
34P93.3Very high91.2Very high85 Ų8564.8 Ų64.855%0.55233%0.329SS*.PPolyproline II helixtrans-63.4149.3173.927.8-34.6000111.1
35P95.6Very high91.6Very high60 Ų6059.6 Ų59.639%0.3931%0.305SS..PPolyproline II helixtrans-60.9145.4176.223.7-32.9000112.1F19 T20 Y37F19-P35 CarbonylContact O-C 3.46Å; F19-P35 VanDerWaalsContact O-CA 3.28Å; F19-P35 WeakPolarHBondContact O-CA 3.47Å; T20-P35 HydrophobicContact CG2-CB 4.05Å; P35-Y37 HydrophobicContact CB-CE2 4.05Å; P35-Y37 HydrophobicContact CG-CE2 3.91Å
36I97Very high91.9Very high31 Ų3159.5 Ų59.516%0.15931%0.305CS..EExtended strand (participates in β ladder)trans-106.3119179.1-58.2172.5000109.6F19 V53 Q56 F57F19-I36 HydrophobicContact CB-CB 4.45Å; F19-I36 PolarHBondContact N-O 3.49Å; F19-I36 PolarHBondContact O-N 2.96Å; I36-V53 HydrophobicContact CD1-CB 4.4Å; I36-V53 HydrophobicContact CD1-CG1 4.2Å; I36-V53 HydrophobicContact CD1-CG2 4.37Å; I36-V53 HydrophobicContact CG2-CG2 4.06Å; I36-Q56 HydrophobicContact CD1-CB 4.16Å; I36-Q56 HydrophobicContact CD1-CG 4.19Å; I36-F57 HydrophobicContact CB-CZ 4.41Å; I36-F57 HydrophobicContact CD1-CD1 4.12Å; I36-F57 HydrophobicContact CD1-CE1 3.58Å; I36-F57 HydrophobicContact CD1-CE2 4.45Å; I36-F57 HydrophobicContact CD1-CZ 3.77Å; I36-F57 HydrophobicContact CG1-CE1 3.86Å; I36-F57 HydrophobicContact CG1-CZ 3.86Å
37Y97.2Very high92.1Very high154 Ų15459.6 Ų59.660%0.60431%0.306SS*.EExtended strand (participates in β ladder)trans-98.3133.7177.8-64.9-93.5000110.9A17 C18 P35 P133A17-Y37 WeakPolarHBondContact O-CA 3.37Å; C18-Y37 HydrophobicContact CB-CD1 3.77Å; C18-Y37 HydrophobicContact CB-CE1 3.57Å; C18-Y37 WeakPolarHBondContact SG-CE1 3.23Å; C18-Y37 VanDerWaalsContact SG-CZ 3.55Å; P35-Y37 HydrophobicContact CB-CE2 4.05Å; P35-Y37 HydrophobicContact CG-CE2 3.91Å; Y37-P133 HydrophobicContact CD1-CG 4.17Å; Y37-P133 HydrophobicContact CE1-CG 3.89Å
38M96.8Very high92.6Very high56 Ų5659.8 Ų59.828%0.27631%0.305SS..EExtended strand (participates in β ladder)trans-154.6157.8174.364.8-176.2-5800112.7A17 F19 L40 V49 V53A17-M38 PolarHBondContact N-O 3.1Å; A17-M38 PolarHBondContact O-N 2.73Å; F19-M38 HydrophobicContact CD2-CG 4.12Å; F19-M38 HydrophobicContact CD2-SD 4.19Å; F19-M38 HydrophobicContact CE2-CG 3.66Å; F19-M38 HydrophobicContact CE2-SD 3.65Å; F19-M38 HydrophobicContact CZ-SD 4.48Å; M38-L40 HydrophobicContact CE-CD2 3.77Å; M38-L40 HydrophobicContact CG-CD2 3.69Å; M38-L40 HydrophobicContact CG-CG 4.39Å; M38-L40 HydrophobicContact SD-CD2 3.65Å; M38-V49 HydrophobicContact CE-CB 4.46Å; M38-V53 HydrophobicContact SD-CG2 3.92Å
39F96.9Very high93.1Very high141 Ų14155.5 Ų55.562%0.61829%0.287SS*.EExtended strand (participates in β ladder)trans-90.1117.8168.4-71.5-78.8000110.3K14 V15 P16K14-F39 HydrophobicContact CB-CB 4.18Å; K14-F39 HydrophobicContact CB-CD1 4.36Å; K14-F39 HydrophobicContact CD-CB 3.87Å; K14-F39 HydrophobicContact CG-CB 4.33Å; V15-F39 WeakPolarHBondContact O-CA 3.44Å; P16-F39 HydrophobicContact CB-CD1 4.13Å; P16-F39 HydrophobicContact CB-CE1 3.91Å
40L97Very high93.9Very high0 Ų047.3 Ų47.30%025%0.248CC..EExtended strand (participates in β ladder)trans-90.4127.6179.2-57179.3000110.9K14 V15 A17 F19 M38 R42 F46 V49 I119 I136K14-L40 CarbonylContact C-O 3.55Å; K14-L40 WeakPolarHBondContact CA-O 3.16Å; V15-L40 PolarHBondContact N-O 3.43Å; V15-L40 PolarHBondContact O-N 3.35Å; A17-L40 HydrophobicContact CB-CD1 3.51Å; A17-L40 HydrophobicContact CB-CG 3.81Å; F19-L40 HydrophobicContact CE2-CD1 4.23Å; F19-L40 HydrophobicContact CE2-CD2 3.95Å; F19-L40 HydrophobicContact CE2-CG 4.43Å; F19-L40 HydrophobicContact CZ-CD1 3.89Å; F19-L40 HydrophobicContact CZ-CD2 4Å; F19-L40 HydrophobicContact CZ-CG 4.47Å; M38-L40 HydrophobicContact CE-CD2 3.77Å; M38-L40 HydrophobicContact CG-CD2 3.69Å; M38-L40 HydrophobicContact CG-CG 4.39Å; M38-L40 HydrophobicContact SD-CD2 3.65Å; L40-R42 PolarHBondContact O-N 3.4Å; L40-F46 HydrophobicContact CD1-CD1 4.48Å; L40-F46 HydrophobicContact CD1-CE1 3.88Å; L40-V49 HydrophobicContact CD2-CG2 3.81Å; L40-I119 HydrophobicContact CB-CD1 4.26Å; L40-I119 HydrophobicContact CB-CG2 3.88Å; L40-I119 HydrophobicContact CD1-CG2 4.01Å; L40-I136 HydrophobicContact CD1-CD1 4.19Å
41P97.7Very high94.3Very high16 Ų1643.3 Ų43.310%0.10423%0.225CC..EExtended strand (participates in β ladder)trans-67.8124.7173.825.5-31000110.9V43 S44 V49 F197P41-V43 PolarHBondContact O-N 3.31Å; P41-S44 PolarHBondContact O-N 3.43Å; P41-V49 HydrophobicContact CG-CG1 3.85Å; P41-F197 HydrophobicContact CB-CD2 4Å; P41-F197 HydrophobicContact CB-CE2 3.38Å; P41-F197 HydrophobicContact CB-CZ 3.75Å; P41-F197 HydrophobicContact CG-CD2 4.44Å; P41-F197 HydrophobicContact CG-CE2 4.29Å
42R97.7Very high94.6Very high21 Ų2145.9 Ų45.98%0.07923%0.234CC..THydrogen-bonded Turntrans-56.3-37.4-176.9-71.3-176.980.282.34.7112.6G13 V15 L40 S44 I119 G120 D124 H318 Y337G13-R42 WeakPolarHBondContact O-CG 3.17Å; G13-R42 PolarHBondContact O-N 3.14Å; V15-R42 HydrophobicContact CG2-CG 3.83Å; L40-R42 PolarHBondContact O-N 3.4Å; R42-S44 VanDerWaalsContact C-N 3.32Å; R42-S44 PolarHBondContact O-N 3.21Å; R42-I119 PolarHBondContact O-N 2.82Å; R42-G120 PolarHBondContact NH2-O 3.39Å; R42-G120 PolarHBondContact O-N 2.93Å; R42-D124 IonicContact CZ-OD1 3.13Å; R42-D124 IonicContact CZ-OD2 2.74Å; R42-D124 IonicContact NH2-OD1 3.87Å; R42-D124 PolarHBondContact NH2-OD1 2.99Å; R42-D124 IonicContact NH2-OD2 2.73Å; R42-D124 PolarHBondContact NH2-OD2 2.91Å; R42-H318 PolarHBondContact NE-O 3.16Å; R42-Y337 WeakPolarHBondContact O-CE1 3.24Å
43V97.8Very high94.9Very high1 Ų143.2 Ų43.21%0.00621%0.212CC..THydrogen-bonded Turntrans-80.9-8.8-173.7-64.10000114.4V10 W11 P41 F197 Y337 P338V10-V43 HydrophobicContact CG1-CG1 4.26Å; V10-V43 WeakPolarHBondContact O-CG1 3.27Å; W11-V43 HydrophobicContact CD2-CG2 4.48Å; W11-V43 HydrophobicContact CE3-CG2 4.44Å; P41-V43 PolarHBondContact O-N 3.31Å; V43-F197 HydrophobicContact CG2-CE2 3.77Å; V43-Y337 HydrophobicContact CG1-CD1 4.42Å; V43-P338 HydrophobicContact CB-CG 3.69Å; V43-P338 HydrophobicContact CG1-CG 4.38Å; V43-P338 HydrophobicContact CG2-CG 4.26Å
44S97.5Very high94.9Very high4 Ų442.5 Ų42.53%0.02821%0.208CC..SBendtrans-95.1-179.6-179.5-161.20000112P41 R42 P118 I119P41-S44 PolarHBondContact O-N 3.43Å; R42-S44 VanDerWaalsContact C-N 3.32Å; R42-S44 PolarHBondContact O-N 3.21Å; S44-P118 CarbonylContact O-C 3.58Å; S44-P118 WeakPolarHBondContact O-CA 3.35Å; S44-I119 WeakPolarHBondContact O-CG1 3.28Å; S44-I119 PolarHBondContact O-N 2.91Å
45Y97Very high94.7Very high2 Ų242.2 Ų42.21%0.00820%0.195CC..  trans-112.8148.1177.4-60.2-84.6000110.3L48 W115 H116 P118 V158 F162 L194Y45-L48 HydrophobicContact CD2-CD1 4.16Å; Y45-L48 PolarHBondContact O-N 3.05Å; Y45-L48 VanDerWaalsContact O-N 3.14Å; Y45-W115 WeakPolarHBondContact CD1-O 3.36Å; Y45-H116 WeakPolarHBondContact CE1-O 3.28Å; Y45-P118 HydrophobicContact CE1-CG 3.95Å; Y45-V158 HydrophobicContact CD2-CG1 3.67Å; Y45-V158 HydrophobicContact CE2-CG1 4.43Å; Y45-V158 HydrophobicContact CG-CG1 3.81Å; Y45-F162 HydrophobicContact CE2-CD2 4.09Å; Y45-L194 HydrophobicContact CD2-CD2 4.29Å; Y45-L194 HydrophobicContact CE2-CD2 4.04Å
46F95Very high94.5Very high2 Ų243 Ų431%0.00919%0.194CC..Hα-helixtrans-50.7-50.3-177-75.2-72.6000114.1L40 L48 V49 T50 L106 L113 I119 V122 W134 I136L40-F46 HydrophobicContact CD1-CD1 4.48Å; L40-F46 HydrophobicContact CD1-CE1 3.88Å; F46-L48 PolarHBondContact O-N 2.8Å; F46-V49 WeakPolarHBondContact O-CG2 3.32Å; F46-V49 PolarHBondContact O-N 2.74Å; F46-T50 HydrophobicContact CD1-CG2 4.32Å; F46-T50 WeakPolarHBondContact O-CG2 3.47Å; F46-T50 PolarHBondContact O-N 3.02Å; F46-T50 PolarHBondContact O-OG1 3.39Å; F46-L106 HydrophobicContact CB-CD1 3.66Å; F46-L106 HydrophobicContact CD1-CD1 3.42Å; F46-L106 VanDerWaalsContact CD1-CD1 3.42Å; F46-L106 HydrophobicContact CD2-CD1 4.25Å; F46-L106 HydrophobicContact CE1-CD1 4.06Å; F46-L106 HydrophobicContact CG-CD1 3.52Å; F46-L113 HydrophobicContact CE2-CB 4.3Å; F46-L113 HydrophobicContact CE2-CD1 4.22Å; F46-L113 HydrophobicContact CZ-CD1 3.89Å; F46-I119 HydrophobicContact CD1-CD1 4.29Å; F46-I119 HydrophobicContact CD1-CG1 4.01Å; F46-I119 HydrophobicContact CD2-CG1 4.08Å; F46-I119 HydrophobicContact CE1-CG1 4.08Å; F46-I119 HydrophobicContact CE1-CG2 4.25Å; F46-I119 HydrophobicContact CE2-CG1 4.15Å; F46-I119 HydrophobicContact CG-CG1 4.02Å; F46-I119 HydrophobicContact CZ-CG1 4.15Å; F46-I119 HydrophobicContact CZ-CG2 4.19Å; F46-V122 HydrophobicContact CE2-CB 4.21Å; F46-V122 HydrophobicContact CE2-CG1 4.21Å; F46-V122 HydrophobicContact CE2-CG2 4.25Å; F46-W134 HydrophobicContact CE1-CH2 4.45Å; F46-W134 HydrophobicContact CE1-CZ3 4.16Å; F46-W134 HydrophobicContact CE2-CH2 4.33Å; F46-W134 AromaticContact CZ-CH2 3.53Å; F46-W134 HydrophobicContact CZ-CH2 3.53Å; F46-W134 AromaticContact CZ-CZ3 3.59Å; F46-W134 HydrophobicContact CZ-CZ3 3.59Å; F46-I136 HydrophobicContact CE1-CD1 3.75Å; F46-I136 HydrophobicContact CZ-CD1 4.23Å
47P93.5Very high94.2Very high15 Ų1541.6 Ų41.610%0.09719%0.186CC..Hα-helixtrans-63.1-21.1-174.5-2235.2000114F104 W115 V153 V158P47-F104 HydrophobicContact CB-CZ 4.31Å; P47-F104 HydrophobicContact CG-CZ 4.48Å; P47-W115 HydrophobicContact CG-CB 3.91Å; P47-W115 HydrophobicContact CG-CE3 4.44Å; P47-W115 HydrophobicContact CG-CG 4.48Å; P47-V153 HydrophobicContact CB-CG1 3.82Å; P47-V153 HydrophobicContact CG-CG1 3.31Å; P47-V158 HydrophobicContact CB-CG2 3.88Å; P47-V158 HydrophobicContact CG-CG2 3.79Å
48L93.3Very high93.8Very high21 Ų2134.2 Ų34.211%0.1116%0.158CC..Hα-helixtrans-78.4-25.5178.9-54.6-176.7000112.8Y45 F46 R155 V158 W191 L195Y45-L48 HydrophobicContact CD2-CD1 4.16Å; Y45-L48 PolarHBondContact O-N 3.05Å; Y45-L48 VanDerWaalsContact O-N 3.14Å; F46-L48 PolarHBondContact O-N 2.8Å; L48-R155 HydrophobicContact CD2-CG 4.17Å; L48-V158 HydrophobicContact CD1-CG1 3.9Å; L48-V158 HydrophobicContact CD2-CB 4.11Å; L48-V158 HydrophobicContact CD2-CG1 4Å; L48-V158 HydrophobicContact CD2-CG2 4.43Å; L48-V158 HydrophobicContact CG-CG1 3.95Å; L48-W191 HydrophobicContact CD1-CH2 3.74Å; L48-W191 HydrophobicContact CD1-CZ3 4.01Å; L48-W191 HydrophobicContact CD2-CH2 3.59Å; L48-W191 HydrophobicContact CD2-CZ2 3.98Å; L48-W191 HydrophobicContact CG-CH2 4.29Å; L48-L195 HydrophobicContact CD2-CD1 4.06Å
49V93.5Very high93.3Very high31 Ų3137.8 Ų37.819%0.18817%0.173CC..Hα-helixtrans-110.8-21.1-173.1-58.50000112.7M38 L40 P41 F46 I119M38-V49 HydrophobicContact CE-CB 4.46Å; L40-V49 HydrophobicContact CD2-CG2 3.81Å; P41-V49 HydrophobicContact CG-CG1 3.85Å; F46-V49 WeakPolarHBondContact O-CG2 3.32Å; F46-V49 PolarHBondContact O-N 2.74Å; V49-I119 HydrophobicContact CG2-CD1 3.57Å
50T92.9Very high92.8Very high0 Ų034.3 Ų34.30%016%0.158CC..  trans-91-1.5-177.759.20000114.1F19 F46 K52 V53 I54 L106F19-T50 HydrophobicContact CE1-CG2 3.83Å; F19-T50 HydrophobicContact CZ-CG2 3.74Å; F46-T50 HydrophobicContact CD1-CG2 4.32Å; F46-T50 WeakPolarHBondContact O-CG2 3.47Å; F46-T50 PolarHBondContact O-N 3.02Å; F46-T50 PolarHBondContact O-OG1 3.39Å; T50-K52 PolarHBondContact O-N 3.49Å; T50-V53 WeakPolarHBondContact O-CA 3.47Å; T50-V53 WeakPolarHBondContact O-CB 3.44Å; T50-V53 PolarHBondContact O-N 2.92Å; T50-I54 WeakPolarHBondContact O-CG1 3.44Å; T50-I54 PolarHBondContact O-N 3.28Å; T50-L106 HydrophobicContact CG2-CD1 4.37Å
51E89.4Confident92.1Very high70 Ų7034.3 Ų34.333%0.32716%0.159SC..Hα-helixtrans-49.1-42.7-176.3-170.3-175.7153.600113.3R55 R155E51-R55 WeakPolarHBondContact O-CB 3.27Å; E51-R55 PolarHBondContact O-N 3.47Å; E51-R55 IonicContact OE1-NH2 3.28Å; E51-R155 IonicContact OE2-CZ 3.49Å; E51-R155 IonicContact OE2-NH2 3.72Å; E51-R155 PolarHBondContact OE2-NH2 3.39Å
52K89.6Confident90.8Very high178 Ų17837.5 Ų37.577%0.77417%0.172SC*.Hα-helixtrans-68.9-39.9177.1-66.2-175.4-179.3-1790113T50 Q56T50-K52 PolarHBondContact O-N 3.49Å; K52-Q56 WeakPolarHBondContact O-CB 3.26Å; K52-Q56 PolarHBondContact O-N 3.44Å
53V92.9Very high89Confident4 Ų438.2 Ų38.22%0.02418%0.18CC..Hα-helixtrans-62-49.5177.3175.50000109.6F19 I36 M38 T50 R55 Q56 F57 V138F19-V53 HydrophobicContact CB-CG1 3.78Å; F19-V53 HydrophobicContact CD1-CG1 4.14Å; F19-V53 HydrophobicContact CD2-CG1 4.49Å; F19-V53 HydrophobicContact CD2-CG2 4.21Å; F19-V53 HydrophobicContact CG-CG1 3.89Å; F19-V53 HydrophobicContact CG-CG2 4.42Å; I36-V53 HydrophobicContact CD1-CB 4.4Å; I36-V53 HydrophobicContact CD1-CG1 4.2Å; I36-V53 HydrophobicContact CD1-CG2 4.37Å; I36-V53 HydrophobicContact CG2-CG2 4.06Å; M38-V53 HydrophobicContact SD-CG2 3.92Å; T50-V53 WeakPolarHBondContact O-CA 3.47Å; T50-V53 WeakPolarHBondContact O-CB 3.44Å; T50-V53 PolarHBondContact O-N 2.92Å; V53-R55 PolarHBondContact O-N 3.5Å; V53-Q56 PolarHBondContact O-N 3.42Å; V53-F57 HydrophobicContact CG1-CD2 3.8Å; V53-F57 HydrophobicContact CG1-CE2 3.68Å; V53-F57 HydrophobicContact CG1-CZ 4.4Å; V53-F57 PolarHBondContact O-N 3.39Å; V53-V138 HydrophobicContact CG1-CG2 4.14Å
54I92.1Very high87.1Confident1 Ų139.3 Ų39.31%0.00519%0.189CC..Hα-helixtrans-61.4-46.5179.5-60.1-47.6000110.7T50 Q56 F57 S58 F104 V138 F140T50-I54 WeakPolarHBondContact O-CG1 3.44Å; T50-I54 PolarHBondContact O-N 3.28Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; I54-Q56 PolarHBondContact O-N 3Å; I54-F57 PolarHBondContact O-N 3.13Å; I54-S58 VanDerWaalsContact O-CB 3.27Å; I54-S58 WeakPolarHBondContact O-CB 3.38Å; I54-S58 PolarHBondContact O-N 2.93Å; I54-S58 PolarHBondContact O-OG 3.08Å; I54-F104 HydrophobicContact CD1-CB 4.12Å; I54-F104 HydrophobicContact CD1-CD1 4.19Å; I54-F104 HydrophobicContact CD1-CD2 3.42Å; I54-F104 VanDerWaalsContact CD1-CD2 3.42Å; I54-F104 HydrophobicContact CD1-CE2 3.81Å; I54-F104 HydrophobicContact CD1-CG 3.63Å; I54-F104 HydrophobicContact CD1-CZ 4.34Å; I54-F104 HydrophobicContact CG1-CD1 3.96Å; I54-F104 HydrophobicContact CG1-CD2 3.95Å; I54-F104 HydrophobicContact CG1-CE1 3.98Å; I54-F104 HydrophobicContact CG1-CE2 3.97Å; I54-F104 HydrophobicContact CG1-CG 3.94Å; I54-F104 HydrophobicContact CG1-CZ 3.99Å; I54-F104 HydrophobicContact CG2-CB 4.46Å; I54-F104 HydrophobicContact CG2-CD1 3.93Å; I54-F104 HydrophobicContact CG2-CE1 4.47Å; I54-F104 HydrophobicContact CG2-CG 4.23Å; I54-V138 HydrophobicContact CD1-CG1 3.5Å; I54-V138 VanDerWaalsContact CD1-CG1 3.5Å; I54-F140 HydrophobicContact CG2-CE1 3.78Å; I54-F140 HydrophobicContact CG2-CZ 4.16Å
55R89.3Confident85.1Confident79 Ų7944.1 Ų44.130%0.29821%0.214SC..Hα-helixtrans-59.2-45.1177.2-172.2-177.7-63.9-107.63.4112E51 V53 S58E51-R55 WeakPolarHBondContact O-CB 3.27Å; E51-R55 PolarHBondContact O-N 3.47Å; E51-R55 IonicContact OE1-NH2 3.28Å; V53-R55 PolarHBondContact O-N 3.5Å; R55-S58 PolarHBondContact O-OG 3.08Å
56Q89.9Confident83.1Confident77 Ų7749.5 Ų49.536%0.3624%0.237SC..Hα-helixtrans-65.4-49.6179.6-176.3174.8-22.800111.5I36 K52 V53 I54 S58 Q59 F60I36-Q56 HydrophobicContact CD1-CB 4.16Å; I36-Q56 HydrophobicContact CD1-CG 4.19Å; K52-Q56 WeakPolarHBondContact O-CB 3.26Å; K52-Q56 PolarHBondContact O-N 3.44Å; V53-Q56 PolarHBondContact O-N 3.42Å; I54-Q56 VanDerWaalsContact C-N 3.35Å; I54-Q56 PolarHBondContact O-N 3Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.42Å; Q56-Q59 WeakPolarHBondContact O-CB 3.41Å; Q56-Q59 PolarHBondContact O-N 3.21Å; Q56-F60 VanDerWaalsContact O-CD2 3.26Å; Q56-F60 WeakPolarHBondContact O-CD2 3.49Å
57F92Very high81Confident0 Ų052.7 Ų52.70%026%0.257CS..Hα-helixtrans-69.1-28.3-179.2-69-18.2000113.5F19 L21 P33 I36 V53 I54 Q59 F60 S61 V138 F140F19-F57 HydrophobicContact CB-CE2 3.97Å; F19-F57 HydrophobicContact CB-CZ 4.34Å; F19-F57 WeakPolarHBondContact O-CZ 3.2Å; L21-F57 HydrophobicContact CB-CB 4.49Å; L21-F57 HydrophobicContact CB-CD1 4.43Å; L21-F57 HydrophobicContact CB-CD2 4.16Å; L21-F57 HydrophobicContact CB-CE2 4.45Å; L21-F57 HydrophobicContact CB-CG 4.15Å; L21-F57 HydrophobicContact CD1-CB 4.27Å; L21-F57 HydrophobicContact CD2-CB 4.28Å; P33-F57 HydrophobicContact CB-CD1 4.01Å; P33-F57 HydrophobicContact CB-CE1 4.04Å; P33-F57 HydrophobicContact CG-CD1 3.72Å; P33-F57 HydrophobicContact CG-CE1 3.91Å; I36-F57 HydrophobicContact CB-CZ 4.41Å; I36-F57 HydrophobicContact CD1-CD1 4.12Å; I36-F57 HydrophobicContact CD1-CE1 3.58Å; I36-F57 HydrophobicContact CD1-CE2 4.45Å; I36-F57 HydrophobicContact CD1-CZ 3.77Å; I36-F57 HydrophobicContact CG1-CE1 3.86Å; I36-F57 HydrophobicContact CG1-CZ 3.86Å; V53-F57 HydrophobicContact CG1-CD2 3.8Å; V53-F57 HydrophobicContact CG1-CE2 3.68Å; V53-F57 HydrophobicContact CG1-CZ 4.4Å; V53-F57 PolarHBondContact O-N 3.39Å; I54-F57 PolarHBondContact O-N 3.13Å; F57-Q59 PolarHBondContact O-N 3.34Å; F57-Q59 VanDerWaalsContact O-N 3.14Å; F57-F60 PolarHBondContact O-N 3.43Å; F57-S61 PolarHBondContact O-N 2.95Å; F57-V138 HydrophobicContact CD2-CB 3.91Å; F57-V138 HydrophobicContact CD2-CG1 4.25Å; F57-V138 HydrophobicContact CD2-CG2 3.81Å; F57-V138 HydrophobicContact CE2-CB 4.31Å; F57-V138 HydrophobicContact CE2-CG2 3.85Å; F57-F140 HydrophobicContact CB-CE2 3.8Å; F57-F140 HydrophobicContact CB-CZ 4.06Å
58S87.5Confident78.8Confident0 Ų056.1 Ų56.10%029%0.286CS..Hα-helixtrans-59.8-25.817672.70000113.1I54 R55 Q56 F60 S61 A64I54-S58 VanDerWaalsContact O-CB 3.27Å; I54-S58 WeakPolarHBondContact O-CB 3.38Å; I54-S58 PolarHBondContact O-N 2.93Å; I54-S58 PolarHBondContact O-OG 3.08Å; R55-S58 PolarHBondContact O-OG 3.08Å; Q56-S58 VanDerWaalsContact C-N 3.32Å; Q56-S58 PolarHBondContact O-N 3.42Å; S58-F60 VanDerWaalsContact C-N 3.25Å; S58-F60 PolarHBondContact O-N 2.83Å; S58-S61 PolarHBondContact O-N 2.97Å; S58-A64 WeakPolarHBondContact O-CB 3.49Å
59Q86Confident76.6Confident130 Ų13060.2 Ų60.261%0.60732%0.317SS*.THydrogen-bonded Turntrans-71.9-19177.3-62.3175.9-2.100113.3Q56 F57Q56-Q59 WeakPolarHBondContact O-CB 3.41Å; Q56-Q59 PolarHBondContact O-N 3.21Å; F57-Q59 PolarHBondContact O-N 3.34Å; F57-Q59 VanDerWaalsContact O-N 3.14Å
60F86.6Confident74.1Confident68 Ų6866.8 Ų66.830%0.29834%0.343SS..THydrogen-bonded Turntrans-103.5-3.1-179.5-62.1-94.9000112.3L21 A27 H31 P33 Q56 F57 S58L21-F60 HydrophobicContact CD2-CB 3.96Å; A27-F60 WeakPolarHBondContact CB-O 3.48Å; A27-F60 PolarHBondContact N-O 3.34Å; H31-F60 WeakPolarHBondContact O-CD1 2.93Å; P33-F60 HydrophobicContact CB-CD1 3.98Å; P33-F60 HydrophobicContact CB-CD2 3.73Å; P33-F60 HydrophobicContact CB-CE1 4.08Å; P33-F60 HydrophobicContact CB-CE2 3.85Å; P33-F60 HydrophobicContact CB-CG 3.8Å; P33-F60 HydrophobicContact CB-CZ 4.02Å; P33-F60 HydrophobicContact CG-CB 4.04Å; P33-F60 HydrophobicContact CG-CD1 4.3Å; P33-F60 HydrophobicContact CG-CD2 4.06Å; P33-F60 HydrophobicContact CG-CG 3.87Å; Q56-F60 VanDerWaalsContact O-CD2 3.26Å; Q56-F60 WeakPolarHBondContact O-CD2 3.49Å; F57-F60 PolarHBondContact O-N 3.43Å; S58-F60 VanDerWaalsContact C-N 3.25Å; S58-F60 PolarHBondContact O-N 2.83Å
61S82.9Confident71.4Confident1 Ų174.5 Ų74.51%0.00738%0.384CS..BIsolated β-bridgetrans-90137.2-176.4-177.50000112.6D25 F57 S58 C63 A64D25-S61 WeakPolarHBondContact O-CA 3.4Å; D25-S61 WeakPolarHBondContact O-CB 3.5Å; D25-S61 PolarHBondContact O-OG 2.93Å; D25-S61 VanDerWaalsContact O-OG 3.06Å; F57-S61 PolarHBondContact O-N 2.95Å; S58-S61 PolarHBondContact O-N 2.97Å; S61-C63 PolarHBondContact O-N 3.41Å; S61-C63 PolarHBondContact OG-N 3.43Å; S61-A64 PolarHBondContact O-N 3.3Å; S61-A64 VanDerWaalsContact O-N 3.14Å
62E69.5Low69Low83 Ų8376.6 Ų76.639%0.38840%0.396SS..Hα-helixtrans-59.2-30.1178.4-141.4-173.6-120.900112.4D25 A27 A64 L65 K66D25-E62 PolarHBondContact O-N 3.33Å; D25-E62 VanDerWaalsContact O-N 3.17Å; A27-E62 HydrophobicContact CB-CB 4.23Å; A27-E62 HydrophobicContact CB-CG 4.23Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.14Å; E62-L65 PolarHBondContact O-N 2.75Å; E62-K66 PolarHBondContact O-N 3.42Å; E62-K66 IonicContact OE2-NZ 2.69Å; E62-K66 PolarHBondContact OE2-NZ 2.93Å
63C61.9Low66.7Low35 Ų3572.8 Ų72.824%0.23639%0.387CS..Hα-helixtrans-66.9-29.6179.7-72.70000112.9S61 L65 K66 T67 L100S61-C63 PolarHBondContact O-N 3.41Å; S61-C63 PolarHBondContact OG-N 3.43Å; C63-L65 VanDerWaalsContact C-N 3.3Å; C63-L65 PolarHBondContact O-N 3.43Å; C63-K66 PolarHBondContact O-N 2.86Å; C63-T67 PolarHBondContact O-N 2.94Å; C63-T67 PolarHBondContact O-OG1 2.78Å; C63-L100 HydrophobicContact CB-CD1 3.62Å; C63-L100 HydrophobicContact CB-CD2 3.65Å; C63-L100 HydrophobicContact CB-CG 4.22Å
64A57.5Low64.4Low24 Ų2477.5 Ų77.520%0.19842%0.42CS..Hα-helixtrans-69.1-33.2178.800000111.4S58 S61 E62 T67 L100S58-A64 WeakPolarHBondContact O-CB 3.49Å; S61-A64 PolarHBondContact O-N 3.3Å; S61-A64 VanDerWaalsContact O-N 3.14Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.14Å; A64-T67 PolarHBondContact O-OG1 2.82Å; A64-T67 VanDerWaalsContact O-OG1 3.05Å; A64-L100 HydrophobicContact CB-CD1 3.94Å
65L55.8Low62.2Low106 Ų10685.5 Ų85.556%0.55546%0.458SS*.Hα-helixtrans-71.5-39.3177.4-63.2170000111.4A27 E62 C63 A68A27-L65 HydrophobicContact CB-CD1 3.93Å; E62-L65 PolarHBondContact O-N 2.75Å; C63-L65 VanDerWaalsContact C-N 3.3Å; C63-L65 PolarHBondContact O-N 3.43Å; L65-A68 PolarHBondContact O-N 2.77Å
66K55.1Low60.1Low114 Ų11485.5 Ų85.550%0.49647%0.466SS..Hα-helixtrans-67.3-36.5179.8-71.3171.8-173.3159.70112.8E62 C63 A68 S69 K70E62-K66 PolarHBondContact O-N 3.42Å; E62-K66 IonicContact OE2-NZ 2.69Å; E62-K66 PolarHBondContact OE2-NZ 2.93Å; C63-K66 PolarHBondContact O-N 2.86Å; K66-A68 VanDerWaalsContact C-N 3.28Å; K66-A68 PolarHBondContact O-N 3Å; K66-S69 PolarHBondContact O-N 3.03Å; K66-K70 PolarHBondContact O-N 3.34Å
67T49.8Very low57.7Low69 Ų6989 Ų8942%0.42348%0.476SS..Hα-helixtrans-71.8-20.8177.548.90000113.8C63 A64 P99C63-T67 PolarHBondContact O-N 2.94Å; C63-T67 PolarHBondContact O-OG1 2.78Å; A64-T67 PolarHBondContact O-OG1 2.82Å; A64-T67 VanDerWaalsContact O-OG1 3.05Å; T67-P99 HydrophobicContact CG2-CB 4.37Å; T67-P99 HydrophobicContact CG2-CG 3.64Å; T67-P99 VanDerWaalsContact OG1-CG 3.3Å; T67-P99 WeakPolarHBondContact OG1-CG 3.46Å
68A48.3Very low55.1Low87 Ų8791.1 Ų91.172%0.71950%0.499SS*.Hα-helixtrans-80.4-19.3173.900000113.1L65 K66L65-A68 PolarHBondContact O-N 2.77Å; K66-A68 VanDerWaalsContact C-N 3.28Å; K66-A68 PolarHBondContact O-N 3Å
69S46.2Very low53.2Low107 Ų10799.4 Ų99.475%0.74853%0.534SS*.Hα-helixtrans-108.3-9.8-175.6-62.60000115.5K66K66-S69 PolarHBondContact O-N 3.03Å
70K41.6Very low51.2Low169 Ų16997.1 Ų97.174%0.73553%0.526SS*.SBendtrans-101.6111.3172.2-81-177.1175.9179.30110K66 M72K66-K70 PolarHBondContact O-N 3.34Å; K70-M72 PolarHBondContact O-N 2.95Å
71D36.6Very low49.1Very low163 Ų16398.3 Ų98.387%0.87253%0.533SS*.  trans-46.1112.6160.6-76.7-42.7000108.5T73D71-T73 PolarHBondContact O-N 2.94Å
72M38.6Very low47.3Very low114 Ų114105.2 Ų105.256%0.56256%0.564SS**  trans-54.1111.7179-96.3-163.561.400109.5K70 S74 T76 R77 L80K70-M72 PolarHBondContact O-N 2.95Å; M72-S74 PolarHBondContact O-N 2.88Å; M72-T76 HydrophobicContact CE-CG2 4.4Å; M72-R77 HydrophobicContact CE-CB 3.9Å; M72-R77 VanDerWaalsContact CE-N 3.34Å; M72-L80 HydrophobicContact CE-CD1 4.48Å
73T41Very low46.4Very low97 Ų97107.6 Ų107.660%0.59558%0.575SS**  trans-57.5136.6165.945.10000109.1D71 E75 T76D71-T73 PolarHBondContact O-N 2.94Å; T73-E75 PolarHBondContact O-N 3.5Å; T73-T76 PolarHBondContact O-N 3.2Å
74S43.8Very low45.7Very low104 Ų104109.8 Ų109.873%0.72758%0.583SS**Hα-helixtrans-47.2-17.6-174-179.50000116.3M72M72-S74 PolarHBondContact O-N 2.88Å
75E46.1Very low45.2Very low169 Ų169116.1 Ų116.179%0.7961%0.609SS**Hα-helixtrans-81.7-31.8-172.7-67.9-176.7156.200114T73 R77T73-E75 PolarHBondContact O-N 3.5Å; E75-R77 VanDerWaalsContact C-N 3.34Å
76T45Very low44.8Very low78 Ų78120.6 Ų120.648%0.47962%0.62SS.*Hα-helixtrans-78.6-24.9177.2-29.40000111.3M72 T73 L80M72-T76 HydrophobicContact CE-CG2 4.4Å; T73-T76 PolarHBondContact O-N 3.2Å; T76-L80 WeakPolarHBondContact O-CD1 3.42Å
77R40.5Very low44.4Very low151 Ų151116.8 Ų116.857%0.5761%0.609SS**Hα-helixtrans-65.9-37.9179-167.7174.4153.8161-3.5112.5M72 E75 K79 L80 E81M72-R77 HydrophobicContact CE-CB 3.9Å; M72-R77 VanDerWaalsContact CE-N 3.34Å; E75-R77 VanDerWaalsContact C-N 3.34Å; R77-K79 PolarHBondContact O-N 3.03Å; R77-L80 PolarHBondContact O-N 2.71Å; R77-E81 HydrophobicContact CG-CG 4.36Å; R77-E81 IonicContact CZ-OE1 3.91Å; R77-E81 VanDerWaalsContact CZ-OE1 3.28Å; R77-E81 IonicContact NE-OE1 3.98Å; R77-E81 PolarHBondContact NE-OE1 2.7Å; R77-E81 IonicContact NH2-OE1 3.51Å; R77-E81 PolarHBondContact NH2-OE1 3.28Å; R77-E81 WeakPolarHBondContact O-CG 3.44Å; R77-E81 PolarHBondContact O-N 2.8Å; R77-E81 VanDerWaalsContact O-N 3.1Å
78G37.3Very low44.3Very low45 Ų45120.3 Ų120.346%0.46462%0.621SS.*Hα-helixtrans-69.3-28.4-176.800000114.8
79K46.8Very low44.2Very low173 Ų173120.3 Ų120.375%0.75262%0.616SS**Hα-helixtrans-77.1-34.1175.5-73.8-176.3177.6179.30112.3R77R77-K79 PolarHBondContact O-N 3.03Å
80L44.6Very low44.2Very low83 Ų83121.8 Ų121.844%0.43562%0.615SS.*Hα-helixtrans-74-37.2178.8-76.9155.5000112.3M72 T76 R77 H82 E83 M84M72-L80 HydrophobicContact CE-CD1 4.48Å; T76-L80 WeakPolarHBondContact O-CD1 3.42Å; R77-L80 PolarHBondContact O-N 2.71Å; L80-H82 PolarHBondContact O-N 3.36Å; L80-E83 PolarHBondContact O-N 3.37Å; L80-M84 VanDerWaalsContact O-CG 3.27Å; L80-M84 WeakPolarHBondContact O-CG 3.05Å; L80-M84 PolarHBondContact O-N 3.39Å
81E42Very low44.3Very low93 Ų93117.4 Ų117.444%0.43560%0.597SS.*Hα-helixtrans-70.1-27.9-177.9-74.7177.8166.900113.8R77 M84R77-E81 HydrophobicContact CG-CG 4.36Å; R77-E81 IonicContact CZ-OE1 3.91Å; R77-E81 VanDerWaalsContact CZ-OE1 3.28Å; R77-E81 IonicContact NE-OE1 3.98Å; R77-E81 PolarHBondContact NE-OE1 2.7Å; R77-E81 IonicContact NH2-OE1 3.51Å; R77-E81 PolarHBondContact NH2-OE1 3.28Å; R77-E81 WeakPolarHBondContact O-CG 3.44Å; R77-E81 PolarHBondContact O-N 2.8Å; R77-E81 VanDerWaalsContact O-N 3.1Å; E81-M84 HydrophobicContact CG-SD 4.36Å
82H45.9Very low44.6Very low146 Ų146111.9 Ų111.968%0.67657%0.567SS**Hα-helixtrans-75.3-23.4-180-162.9-85.7000113L80L80-H82 PolarHBondContact O-N 3.36Å
83E50.2Low44.7Very low132 Ų132111.8 Ų111.862%0.61757%0.569SS**Hα-helixtrans-93.4-12.1178.8-66.8-174.416400113L80 Q85L80-E83 PolarHBondContact O-N 3.37Å; E83-Q85 PolarHBondContact O-N 3.36Å
84M47.9Very low44.8Very low81 Ų81109.7 Ų109.740%0.39956%0.556SS.*G310 helixtrans-69.1-11.3176-73.9170.867.900114.2L80 E81 Y86 I92L80-M84 VanDerWaalsContact O-CG 3.27Å; L80-M84 WeakPolarHBondContact O-CG 3.05Å; L80-M84 PolarHBondContact O-N 3.39Å; E81-M84 HydrophobicContact CG-SD 4.36Å; M84-Y86 VanDerWaalsContact C-N 3.27Å; M84-Y86 PolarHBondContact O-N 3.25Å; M84-I92 HydrophobicContact CE-CG2 3.92Å
85Q45.4Very low44.6Very low157 Ų157108.9 Ų108.973%0.73454%0.54SS*.G310 helixtrans-72.9-15-179-97.7176.85.800114.6E83E83-Q85 PolarHBondContact O-N 3.36Å
86Y48.2Very low44.4Very low201 Ų201108.5 Ų108.579%0.78854%0.535SS*.G310 helixtrans-112.80.3179.4-64.1-75.3000114M84M84-Y86 VanDerWaalsContact C-N 3.27Å; M84-Y86 PolarHBondContact O-N 3.25Å
87A47.2Very low44.4Very low34 Ų34111.1 Ų111.128%0.28154%0.542SS..SBendtrans-84.2127.3176.800000110.8I92A87-I92 HydrophobicContact CB-CG1 4.34Å
88Q47.1Very low45.2Very low143 Ų143106.2 Ų106.267%0.66853%0.526SS*.  trans-59.1141.6168.4-70.1175-2.200109.6D90 Q91Q88-D90 PolarHBondContact O-N 3.4Å; Q88-Q91 PolarHBondContact O-N 3.43Å
89S45.6Very low46.2Very low86 Ų86107.1 Ų107.160%0.60152%0.523SS*.Hα-helixtrans-45.8-34.1-172.950.30000114.7Q91 I92S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.42Å; S89-I92 PolarHBondContact O-N 3.39Å
90D46.2Very low46.9Very low138 Ų13899.2 Ų99.274%0.73849%0.489SS*.Hα-helixtrans-77.3-14.1-174.3-61.9-2.8000113.6Q88Q88-D90 PolarHBondContact O-N 3.4Å
91Q45.3Very low48Very low78 Ų7896.2 Ų96.236%0.36447%0.474SS..Hα-helixtrans-89.6-19.9175.3-65.6-171.421.600112.8Q88 S89 D93 T94 F95Q88-Q91 PolarHBondContact O-N 3.43Å; S89-Q91 VanDerWaalsContact C-N 3.31Å; S89-Q91 PolarHBondContact O-N 3.42Å; Q91-D93 VanDerWaalsContact C-N 3.35Å; Q91-D93 PolarHBondContact O-N 3.1Å; Q91-T94 PolarHBondContact O-N 3.16Å; Q91-F95 PolarHBondContact O-N 3.31Å
92I42Very low49.2Very low47 Ų4793.5 Ų93.524%0.24146%0.461CS..Hα-helixtrans-64.9-38.3-174.5-61.5176.3000111.6M84 A87 S89 T94 F95M84-I92 HydrophobicContact CE-CG2 3.92Å; A87-I92 HydrophobicContact CB-CG1 4.34Å; S89-I92 PolarHBondContact O-N 3.39Å; I92-T94 VanDerWaalsContact C-N 3.3Å; I92-T94 PolarHBondContact O-N 3.47Å; I92-F95 PolarHBondContact O-N 3.26Å
93D41.7Very low50.8Low111 Ų11191.9 Ų91.959%0.59445%0.454SS*.Hα-helixtrans-72.8-23.4-178.7-79.3-20.9000113.2Q91Q91-D93 VanDerWaalsContact C-N 3.35Å; Q91-D93 PolarHBondContact O-N 3.1Å
94T41.3Very low52.8Low53 Ų5386.1 Ų86.133%0.32543%0.427SS..Hα-helixtrans-76.8-34.1177.6-470000111.3Q91 I92 K96 Q97Q91-T94 PolarHBondContact O-N 3.16Å; I92-T94 VanDerWaalsContact C-N 3.3Å; I92-T94 PolarHBondContact O-N 3.47Å; T94-K96 VanDerWaalsContact C-N 3.33Å; T94-K96 PolarHBondContact O-N 3.11Å; T94-Q97 PolarHBondContact O-N 3.32Å
95F40Very low55Low88 Ų8883.2 Ų83.239%0.38641%0.412SS..Hα-helixtrans-63.7-34.7178.9-98.2-92.2000113.3Q91 I92 Q97 H102Q91-F95 PolarHBondContact O-N 3.31Å; I92-F95 PolarHBondContact O-N 3.26Å; F95-Q97 VanDerWaalsContact C-N 3.3Å; F95-Q97 PolarHBondContact O-N 3.02Å; F95-H102 AromaticContact CD1-CD2 3.86Å; F95-H102 AromaticContact CD1-NE2 3.91Å; F95-H102 AromaticContact CE1-CD2 3.28Å; F95-H102 WeakPolarHBondContact CE1-CD2 3.15Å; F95-H102 AromaticContact CE1-NE2 3.35Å; F95-H102 VanDerWaalsContact CE1-NE2 3.35Å; F95-H102 WeakPolarHBondContact CE1-NE2 3.21Å; F95-H102 AromaticContact CE2-NE2 3.67Å; F95-H102 AromaticContact CZ-CD2 3.63Å; F95-H102 AromaticContact CZ-CE1 3.89Å; F95-H102 AromaticContact CZ-NE2 3.21Å; F95-H102 WeakPolarHBondContact CZ-NE2 3.49Å
96K41.8Very low57.3Low160 Ų16076 Ų7670%0.69638%0.378SS*.THydrogen-bonded Turntrans-73.8-19.1-177.8-72.8-177.2178.8174.30114.1T94T94-K96 VanDerWaalsContact C-N 3.33Å; T94-K96 PolarHBondContact O-N 3.11Å
97Q45.3Very low59.5Low133 Ų13367.9 Ų67.962%0.62135%0.347SS*.THydrogen-bonded Turntrans-93.9-26.2-170.2-68.6-177.9200113.6T94 F95T94-Q97 PolarHBondContact O-N 3.32Å; F95-Q97 VanDerWaalsContact C-N 3.3Å; F95-Q97 PolarHBondContact O-N 3.02Å
98H56.5Low61.7Low49 Ų4967.6 Ų67.623%0.22734%0.339CS..  trans-146.392.2-177.1-67.2-65.5000112.1L100 V101H98-L100 PolarHBondContact O-N 3.03Å; H98-L100 VanDerWaalsContact O-N 3.14Å; H98-V101 HydrophobicContact CB-CG2 3.51Å; H98-V101 WeakPolarHBondContact O-CG2 3.4Å; H98-V101 PolarHBondContact O-N 3.29Å
99P58.6Low63.6Low63 Ų6364.2 Ų64.241%0.40934%0.335SS..G310 helixtrans-60.3-26.3-177.620-29.7000113.6T67 V101T67-P99 HydrophobicContact CG2-CB 4.37Å; T67-P99 HydrophobicContact CG2-CG 3.64Å; T67-P99 VanDerWaalsContact OG1-CG 3.3Å; T67-P99 WeakPolarHBondContact OG1-CG 3.46Å; P99-V101 VanDerWaalsContact C-N 3.27Å; P99-V101 PolarHBondContact O-N 3.49Å
100L62.4Low65.6Low8 Ų868 Ų684%0.04234%0.343CS..G310 helixtrans-74.8-8.8-178.6-60.3178.5000115.2C63 A64 H98 H102 E103 F140C63-L100 HydrophobicContact CB-CD1 3.62Å; C63-L100 HydrophobicContact CB-CD2 3.65Å; C63-L100 HydrophobicContact CB-CG 4.22Å; A64-L100 HydrophobicContact CB-CD1 3.94Å; H98-L100 PolarHBondContact O-N 3.03Å; H98-L100 VanDerWaalsContact O-N 3.14Å; L100-H102 PolarHBondContact O-N 3.3Å; L100-H102 VanDerWaalsContact O-N 3.08Å; L100-E103 PolarHBondContact O-N 2.92Å; L100-F140 HydrophobicContact CB-CD1 3.88Å; L100-F140 HydrophobicContact CB-CE1 4.18Å; L100-F140 HydrophobicContact CD1-CB 4.46Å; L100-F140 HydrophobicContact CD1-CD1 4.36Å; L100-F140 HydrophobicContact CD1-CG 4.4Å
101V67.8Low67.6Low19 Ų1962.8 Ų62.812%0.11532%0.315CS..G310 helixtrans-64-19.6-175.8176.60000112.1H98 P99 F104H98-V101 HydrophobicContact CB-CG2 3.51Å; H98-V101 WeakPolarHBondContact O-CG2 3.4Å; H98-V101 PolarHBondContact O-N 3.29Å; P99-V101 VanDerWaalsContact C-N 3.27Å; P99-V101 PolarHBondContact O-N 3.49Å; V101-F104 VanDerWaalsContact O-CD1 3.32Å; V101-F104 WeakPolarHBondContact O-CD1 3.39Å; V101-F104 WeakPolarHBondContact O-CE1 3.49Å
102H66.4Low69.9Low36 Ų3660.3 Ų60.317%0.16731%0.305CS..G310 helixtrans-113.7-4.4-177.5-61.2-55.7000114.8F95 L100 P152 V153F95-H102 AromaticContact CD1-CD2 3.86Å; F95-H102 AromaticContact CD1-NE2 3.91Å; F95-H102 AromaticContact CE1-CD2 3.28Å; F95-H102 WeakPolarHBondContact CE1-CD2 3.15Å; F95-H102 AromaticContact CE1-NE2 3.35Å; F95-H102 VanDerWaalsContact CE1-NE2 3.35Å; F95-H102 WeakPolarHBondContact CE1-NE2 3.21Å; F95-H102 AromaticContact CE2-NE2 3.67Å; F95-H102 AromaticContact CZ-CD2 3.63Å; F95-H102 AromaticContact CZ-CE1 3.89Å; F95-H102 AromaticContact CZ-NE2 3.21Å; F95-H102 WeakPolarHBondContact CZ-NE2 3.49Å; L100-H102 PolarHBondContact O-N 3.3Å; L100-H102 VanDerWaalsContact O-N 3.08Å; H102-P152 HydrophobicContact CB-CB 3.91Å; H102-V153 PolarHBondContact ND1-O 3.14Å; H102-V153 PolarHBondContact O-N 3.48Å
103E80.6Confident72.3Confident113 Ų11358.3 Ų58.353%0.52830%0.295SS..SBendtrans-116.547.5-179.4-64.6-173.6163.700110.6L100 P151L100-E103 PolarHBondContact O-N 2.92Å; E103-P151 HydrophobicContact CG-CB 4.39Å
104F90.7Very high74.8Confident11 Ų1155 Ų555%0.04828%0.275CS..  trans-111.1155.2173.976.3-86.2000110.7P47 I54 V101 L106 H139 F140 V153P47-F104 HydrophobicContact CB-CZ 4.31Å; P47-F104 HydrophobicContact CG-CZ 4.48Å; I54-F104 HydrophobicContact CD1-CB 4.12Å; I54-F104 HydrophobicContact CD1-CD1 4.19Å; I54-F104 HydrophobicContact CD1-CD2 3.42Å; I54-F104 VanDerWaalsContact CD1-CD2 3.42Å; I54-F104 HydrophobicContact CD1-CE2 3.81Å; I54-F104 HydrophobicContact CD1-CG 3.63Å; I54-F104 HydrophobicContact CD1-CZ 4.34Å; I54-F104 HydrophobicContact CG1-CD1 3.96Å; I54-F104 HydrophobicContact CG1-CD2 3.95Å; I54-F104 HydrophobicContact CG1-CE1 3.98Å; I54-F104 HydrophobicContact CG1-CE2 3.97Å; I54-F104 HydrophobicContact CG1-CG 3.94Å; I54-F104 HydrophobicContact CG1-CZ 3.99Å; I54-F104 HydrophobicContact CG2-CB 4.46Å; I54-F104 HydrophobicContact CG2-CD1 3.93Å; I54-F104 HydrophobicContact CG2-CE1 4.47Å; I54-F104 HydrophobicContact CG2-CG 4.23Å; V101-F104 VanDerWaalsContact O-CD1 3.32Å; V101-F104 WeakPolarHBondContact O-CD1 3.39Å; V101-F104 WeakPolarHBondContact O-CE1 3.49Å; F104-L106 HydrophobicContact CD2-CD2 4.19Å; F104-L106 HydrophobicContact CD2-CG 4.36Å; F104-L106 HydrophobicContact CE2-CD2 4.3Å; F104-L106 HydrophobicContact CE2-CG 4.21Å; F104-H139 VanDerWaalsContact CA-O 3.23Å; F104-H139 WeakPolarHBondContact CA-O 3.18Å; F104-H139 WeakPolarHBondContact CB-O 3.34Å; F104-F140 HydrophobicContact CB-CD1 4.01Å; F104-F140 HydrophobicContact CB-CE1 4.03Å; F104-V153 HydrophobicContact CE1-CB 4.18Å; F104-V153 HydrophobicContact CE1-CG1 3.95Å; F104-V153 HydrophobicContact CZ-CG1 3.83Å
105W94Very high77.3Confident20 Ų2053.5 Ų53.58%0.07626%0.264CS..EExtended strand (participates in β ladder)trans-137.3163.7166.164.7-78000110.5E107 P112 H139 S141 N142 Y143 P144 L148W105-E107 HydrophobicContact CE3-CB 4.32Å; W105-E107 HydrophobicContact CH2-CB 4.1Å; W105-E107 HydrophobicContact CH2-CG 4.29Å; W105-E107 WeakPolarHBondContact CH2-OE2 3.48Å; W105-E107 HydrophobicContact CZ3-CB 3.59Å; W105-E107 HydrophobicContact CZ3-CG 3.93Å; W105-P112 HydrophobicContact CE3-CB 3.93Å; W105-P112 HydrophobicContact CE3-CG 4.25Å; W105-P112 HydrophobicContact CZ3-CB 4Å; W105-P112 HydrophobicContact CZ3-CG 3.88Å; W105-H139 HydrophobicContact CD2-CB 3.91Å; W105-H139 AromaticContact CE2-CD2 4Å; W105-H139 AromaticContact CE2-CG 3.54Å; W105-H139 HydrophobicContact CG-CB 4.09Å; W105-H139 AromaticContact CH2-CD2 3.78Å; W105-H139 AromaticContact CH2-CE1 3.91Å; W105-H139 AromaticContact CH2-CG 3.92Å; W105-H139 AromaticContact CH2-ND1 4Å; W105-H139 AromaticContact CH2-NE2 3.83Å; W105-H139 HydrophobicContact CZ2-CB 3.74Å; W105-H139 AromaticContact CZ2-CD2 3.74Å; W105-H139 AromaticContact CZ2-CE1 3.85Å; W105-H139 AromaticContact CZ2-CG 3.39Å; W105-H139 AromaticContact CZ2-ND1 3.47Å; W105-H139 WeakPolarHBondContact CZ2-ND1 3.43Å; W105-H139 PolarHBondContact N-O 3.08Å; W105-H139 AromaticContact NE1-CG 3.9Å; W105-H139 PolarHBondContact O-N 2.9Å; W105-S141 PolarHBondContact NE1-O 3.21Å; W105-N142 PolarHBondContact NE1-O 3.03Å; W105-Y143 HydrophobicContact CB-CD2 3.92Å; W105-Y143 HydrophobicContact CB-CE2 3.78Å; W105-Y143 AromaticContact CD1-CD2 3.89Å; W105-Y143 HydrophobicContact CG-CD2 4.18Å; W105-P144 HydrophobicContact CD2-CG 3.97Å; W105-P144 HydrophobicContact CE3-CG 3.98Å; W105-P144 HydrophobicContact CG-CG 4.4Å; W105-P144 HydrophobicContact CZ3-CG 4.37Å; W105-L148 HydrophobicContact CB-CD1 3.79Å
106L95Very high79.8Confident5 Ų550.7 Ų50.73%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-118.1138.1-175.9-58.8178.6000109.1F19 F46 T50 F104 P112 L113 I136 T137 V138F19-L106 HydrophobicContact CE1-CD1 4.44Å; F19-L106 HydrophobicContact CE1-CD2 4.38Å; F46-L106 HydrophobicContact CB-CD1 3.66Å; F46-L106 HydrophobicContact CD1-CD1 3.42Å; F46-L106 VanDerWaalsContact CD1-CD1 3.42Å; F46-L106 HydrophobicContact CD2-CD1 4.25Å; F46-L106 HydrophobicContact CE1-CD1 4.06Å; F46-L106 HydrophobicContact CG-CD1 3.52Å; T50-L106 HydrophobicContact CG2-CD1 4.37Å; F104-L106 HydrophobicContact CD2-CD2 4.19Å; F104-L106 HydrophobicContact CD2-CG 4.36Å; F104-L106 HydrophobicContact CE2-CD2 4.3Å; F104-L106 HydrophobicContact CE2-CG 4.21Å; L106-P112 CarbonylContact O-C 3.49Å; L106-L113 HydrophobicContact CB-CB 4.11Å; L106-L113 HydrophobicContact CB-CD1 4.02Å; L106-L113 HydrophobicContact CB-CG 4.29Å; L106-L113 PolarHBondContact O-N 2.83Å; L106-I136 HydrophobicContact CB-CG2 3.87Å; L106-I136 HydrophobicContact CD1-CG2 4.41Å; L106-I136 HydrophobicContact CD2-CG2 4.13Å; L106-I136 HydrophobicContact CG-CG2 4.36Å; L106-T137 CarbonylContact C-O 3.6Å; L106-T137 WeakPolarHBondContact CA-O 3.38Å; L106-V138 HydrophobicContact CD2-CB 4.32Å; L106-V138 HydrophobicContact CD2-CG1 4.37Å; L106-V138 HydrophobicContact CD2-CG2 3.77Å
107E94.4Very high82.4Confident30 Ų3043.7 Ų43.714%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-118.5142.7178.9-167.6-171.4113.200110.4W105 H110 Q111 I136 T137 H139W105-E107 HydrophobicContact CE3-CB 4.32Å; W105-E107 HydrophobicContact CH2-CB 4.1Å; W105-E107 HydrophobicContact CH2-CG 4.29Å; W105-E107 WeakPolarHBondContact CH2-OE2 3.48Å; W105-E107 HydrophobicContact CZ3-CB 3.59Å; W105-E107 HydrophobicContact CZ3-CG 3.93Å; E107-H110 VanDerWaalsContact CD-CA 3.47Å; E107-H110 WeakPolarHBondContact OE1-CA 3.43Å; E107-H110 IonicContact OE1-CE1 2.71Å; E107-H110 IonicContact OE1-CG 2.73Å; E107-H110 PolarHBondContact OE1-N 2.82Å; E107-H110 IonicContact OE1-ND1 3.83Å; E107-H110 PolarHBondContact OE1-ND1 2.88Å; E107-H110 VanDerWaalsContact OE1-ND1 3.13Å; E107-Q111 WeakPolarHBondContact CA-O 3.37Å; E107-I136 WeakPolarHBondContact O-CA 3.34Å; E107-T137 PolarHBondContact N-O 3.47Å; E107-T137 PolarHBondContact O-N 3.21Å; E107-H139 WeakPolarHBondContact CB-NE2 3.49Å; E107-H139 IonicContact OE2-CE1 2.93Å; E107-H139 IonicContact OE2-NE2 3.45Å; E107-H139 PolarHBondContact OE2-NE2 3.02Å
108Y92.6Very high84.9Confident29 Ų2937.4 Ų37.411%0.11419%0.192CC..EExtended strand (participates in β ladder)trans-131.8125160.4173-110.6000109.1H110 Q111 C126 A127 N128 W134 K135Y108-H110 VanDerWaalsContact C-N 3.31Å; Y108-H110 PolarHBondContact O-N 2.93Å; Y108-Q111 PolarHBondContact N-O 3.12Å; Y108-Q111 WeakPolarHBondContact O-CB 3.29Å; Y108-Q111 PolarHBondContact O-N 3.35Å; Y108-C126 HydrophobicContact CD1-CB 4Å; Y108-C126 HydrophobicContact CE1-CB 4.36Å; Y108-C126 WeakPolarHBondContact CE1-O 3.31Å; Y108-A127 HydrophobicContact CE1-CB 4.45Å; Y108-N128 PolarHBondContact OH-N 3.17Å; Y108-W134 AromaticContact CD1-NE1 3.69Å; Y108-W134 AromaticContact CD2-CD1 3.41Å; Y108-W134 VanDerWaalsContact CD2-CD1 3.41Å; Y108-W134 AromaticContact CD2-NE1 3.06Å; Y108-W134 AromaticContact CE1-NE1 3.99Å; Y108-W134 AromaticContact CE2-CD1 3.39Å; Y108-W134 AromaticContact CE2-NE1 3.42Å; Y108-W134 AromaticContact CG-NE1 3.2Å; Y108-W134 AromaticContact CZ-NE1 3.85Å; Y108-K135 WeakPolarHBondContact CD2-O 3.39Å
109A87.8Confident86.8Confident71 Ų7135.1 Ų35.159%0.58718%0.181SC*.THydrogen-bonded Turntrans48.349.917700000113.1Q111A109-Q111 PolarHBondContact O-N 2.79Å
110H87Confident88.6Confident166 Ų16632.1 Ų32.177%0.76916%0.162SC*.THydrogen-bonded Turntrans64.515.6-179-49.2-49.9000115.3E107 Y108E107-H110 VanDerWaalsContact CD-CA 3.47Å; E107-H110 WeakPolarHBondContact OE1-CA 3.43Å; E107-H110 IonicContact OE1-CE1 2.71Å; E107-H110 IonicContact OE1-CG 2.73Å; E107-H110 PolarHBondContact OE1-N 2.82Å; E107-H110 IonicContact OE1-ND1 3.83Å; E107-H110 PolarHBondContact OE1-ND1 2.88Å; E107-H110 VanDerWaalsContact OE1-ND1 3.13Å; Y108-H110 VanDerWaalsContact C-N 3.31Å; Y108-H110 PolarHBondContact O-N 2.93Å
111Q88.9Confident90.2Very high28 Ų2831.8 Ų31.813%0.13116%0.16CC..EExtended strand (participates in β ladder)trans-113.7126.2173.1-63.1-165-16.200111.4E107 Y108 A109 P265E107-Q111 WeakPolarHBondContact CA-O 3.37Å; Y108-Q111 PolarHBondContact N-O 3.12Å; Y108-Q111 WeakPolarHBondContact O-CB 3.29Å; Y108-Q111 PolarHBondContact O-N 3.35Å; A109-Q111 PolarHBondContact O-N 2.79Å; Q111-P265 PolarHBondContact NE2-O 3.08Å
112P92.8Very high91.5Very high26 Ų2631 Ų3117%0.16916%0.155CC..EExtended strand (participates in β ladder)trans-63.9134.8171.4-22.133.5000112.2W105 L106 P144 L147 L148W105-P112 HydrophobicContact CE3-CB 3.93Å; W105-P112 HydrophobicContact CE3-CG 4.25Å; W105-P112 HydrophobicContact CZ3-CB 4Å; W105-P112 HydrophobicContact CZ3-CG 3.88Å; L106-P112 CarbonylContact O-C 3.49Å; P112-P144 HydrophobicContact CB-CG 3.76Å; P112-P144 HydrophobicContact CG-CB 4.02Å; P112-P144 HydrophobicContact CG-CG 3.61Å; P112-L147 HydrophobicContact CG-CB 4.48Å; P112-L147 HydrophobicContact CG-CD1 3.92Å; P112-L148 HydrophobicContact CB-CD1 3.83Å; P112-L148 HydrophobicContact CB-CD2 3.92Å; P112-L148 HydrophobicContact CB-CG 3.82Å
113L93.3Very high92.8Very high6 Ų629.8 Ų29.83%0.03115%0.15CC..  trans-89.7122.3179.9-57.6-174.9000111.1F46 L106 W115 V122 W134 I136F46-L113 HydrophobicContact CE2-CB 4.3Å; F46-L113 HydrophobicContact CE2-CD1 4.22Å; F46-L113 HydrophobicContact CZ-CD1 3.89Å; L106-L113 HydrophobicContact CB-CB 4.11Å; L106-L113 HydrophobicContact CB-CD1 4.02Å; L106-L113 HydrophobicContact CB-CG 4.29Å; L106-L113 PolarHBondContact O-N 2.83Å; L113-W115 PolarHBondContact O-N 3.16Å; L113-W115 VanDerWaalsContact O-N 3.14Å; L113-V122 HydrophobicContact CB-CG1 4.36Å; L113-V122 HydrophobicContact CD2-CG1 3.74Å; L113-V122 HydrophobicContact CG-CG1 4.48Å; L113-W134 HydrophobicContact CD1-CH2 4.1Å; L113-W134 HydrophobicContact CD1-CZ2 3.83Å; L113-W134 HydrophobicContact CD2-CZ2 4.1Å; L113-I136 HydrophobicContact CD1-CD1 4.27Å; L113-I136 HydrophobicContact CD1-CG1 4.28Å; L113-I136 HydrophobicContact CD1-CG2 4.01Å
114K93.1Very high93.3Very high40 Ų4024.5 Ų24.517%0.17413%0.125CC..  trans-68108.8178.3-68.9174.1-176.8164.50110.9H116 Y117 L148 P269K114-H116 VanDerWaalsContact C-N 3.26Å; K114-H116 PolarHBondContact O-N 2.89Å; K114-Y117 HydrophobicContact CB-CD2 4.23Å; K114-Y117 HydrophobicContact CB-CG 4.14Å; K114-Y117 HydrophobicContact CD-CD2 4.14Å; K114-Y117 HydrophobicContact CD-CE1 4.46Å; K114-Y117 HydrophobicContact CD-CE2 3.76Å; K114-Y117 PolarHBondContact O-N 3.4Å; K114-L148 HydrophobicContact CG-CD2 4.04Å; K114-P269 PolarHBondContact NZ-O 3.42Å; K114-P269 VanDerWaalsContact NZ-O 3.17Å
115W93.6Very high93.3Very high22 Ų2224.3 Ų24.38%0.08312%0.124CC..THydrogen-bonded Turntrans-65.8-26.4-177.465.9-103.4000114.1Y45 P47 L113 Y117 L149 V153 A157 V158 H161Y45-W115 WeakPolarHBondContact CD1-O 3.36Å; P47-W115 HydrophobicContact CG-CB 3.91Å; P47-W115 HydrophobicContact CG-CE3 4.44Å; P47-W115 HydrophobicContact CG-CG 4.48Å; L113-W115 PolarHBondContact O-N 3.16Å; L113-W115 VanDerWaalsContact O-N 3.14Å; W115-Y117 VanDerWaalsContact C-N 3.25Å; W115-Y117 PolarHBondContact O-N 2.88Å; W115-L149 HydrophobicContact CH2-CD1 4.31Å; W115-L149 HydrophobicContact CZ2-CB 3.94Å; W115-L149 HydrophobicContact CZ2-CD1 3.78Å; W115-L149 PolarHBondContact NE1-O 3.36Å; W115-V153 HydrophobicContact CB-CG1 4.39Å; W115-V153 HydrophobicContact CG-CG1 4.19Å; W115-A157 HydrophobicContact CH2-CB 4.09Å; W115-V158 HydrophobicContact CE3-CG2 3.87Å; W115-V158 HydrophobicContact CZ3-CB 4.47Å; W115-V158 HydrophobicContact CZ3-CG2 3.83Å; W115-H161 HydrophobicContact CZ3-CB 4.38Å
116H94.1Very high92.8Very high29 Ų2924.5 Ų24.513%0.13413%0.128CC..THydrogen-bonded Turntrans-82.2-2-179.762.8-84.4000112.7Y45 K114 L149 H161Y45-H116 WeakPolarHBondContact CE1-O 3.28Å; K114-H116 VanDerWaalsContact C-N 3.26Å; K114-H116 PolarHBondContact O-N 2.89Å; H116-L149 HydrophobicContact CB-CD1 3.99Å; H116-L149 WeakPolarHBondContact ND1-CD1 3.37Å; H116-H161 PolarHBondContact O-NE2 3.45Å
117Y95.6Very high92Very high13 Ų1324.3 Ų24.35%0.05113%0.127CC..SBendtrans-97.2142170.7-74.88.9000109.6K114 W115 L121 M125 Y259K114-Y117 HydrophobicContact CB-CD2 4.23Å; K114-Y117 HydrophobicContact CB-CG 4.14Å; K114-Y117 HydrophobicContact CD-CD2 4.14Å; K114-Y117 HydrophobicContact CD-CE1 4.46Å; K114-Y117 HydrophobicContact CD-CE2 3.76Å; K114-Y117 PolarHBondContact O-N 3.4Å; W115-Y117 VanDerWaalsContact C-N 3.25Å; W115-Y117 PolarHBondContact O-N 2.88Å; Y117-L121 HydrophobicContact CD2-CD2 3.88Å; Y117-L121 HydrophobicContact CD2-CG 4.41Å; Y117-L121 HydrophobicContact CG-CD2 3.98Å; Y117-M125 HydrophobicContact CD2-CE 3.51Å; Y117-M125 HydrophobicContact CD2-SD 4.47Å; Y117-M125 HydrophobicContact CE2-CE 3.85Å; Y117-M125 HydrophobicContact CE2-SD 4.37Å; Y117-Y259 HydrophobicContact CD2-CE1 4.16Å; Y117-Y259 HydrophobicContact CE1-CE1 4.29Å; Y117-Y259 AromaticContact CE2-CD1 3.87Å; Y117-Y259 HydrophobicContact CE2-CD1 3.87Å; Y117-Y259 AromaticContact CE2-CE1 3.46Å; Y117-Y259 HydrophobicContact CE2-CE1 3.46Å; Y117-Y259 VanDerWaalsContact CE2-CE1 3.46Å; Y117-Y259 AromaticContact CZ-CE1 3.57Å
118P97.3Very high91.1Very high2 Ų226 Ų261%0.01314%0.137CC..  trans-56.9144.2173.9-26.535.1000112.1S44 Y45 G120 L121 V122 Y337S44-P118 CarbonylContact O-C 3.58Å; S44-P118 WeakPolarHBondContact O-CA 3.35Å; Y45-P118 HydrophobicContact CE1-CG 3.95Å; P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.56Å; P118-L121 HydrophobicContact CB-CB 4.37Å; P118-L121 WeakPolarHBondContact O-CB 3.32Å; P118-L121 PolarHBondContact O-N 3.39Å; P118-V122 PolarHBondContact O-N 2.9Å; P118-Y337 HydrophobicContact CB-CD1 3.33Å; P118-Y337 HydrophobicContact CB-CE1 3.37Å; P118-Y337 HydrophobicContact CB-CG 4.32Å; P118-Y337 HydrophobicContact CG-CD1 3.62Å; P118-Y337 HydrophobicContact CG-CE1 4.06Å; P118-Y337 HydrophobicContact CG-CG 4.16Å
119I97.2Very high90.1Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-56.8-41.6-174.5-67.7165.4000111.7L40 R42 S44 F46 V49 L121 V122 F123 W134L40-I119 HydrophobicContact CB-CD1 4.26Å; L40-I119 HydrophobicContact CB-CG2 3.88Å; L40-I119 HydrophobicContact CD1-CG2 4.01Å; R42-I119 PolarHBondContact O-N 2.82Å; S44-I119 WeakPolarHBondContact O-CG1 3.28Å; S44-I119 PolarHBondContact O-N 2.91Å; F46-I119 HydrophobicContact CD1-CD1 4.29Å; F46-I119 HydrophobicContact CD1-CG1 4.01Å; F46-I119 HydrophobicContact CD2-CG1 4.08Å; F46-I119 HydrophobicContact CE1-CG1 4.08Å; F46-I119 HydrophobicContact CE1-CG2 4.25Å; F46-I119 HydrophobicContact CE2-CG1 4.15Å; F46-I119 HydrophobicContact CG-CG1 4.02Å; F46-I119 HydrophobicContact CZ-CG1 4.15Å; F46-I119 HydrophobicContact CZ-CG2 4.19Å; V49-I119 HydrophobicContact CG2-CD1 3.57Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 2.96Å; I119-V122 PolarHBondContact O-N 3.48Å; I119-F123 WeakPolarHBondContact O-CB 3.28Å; I119-F123 PolarHBondContact O-N 2.91Å; I119-W134 HydrophobicContact CG2-CZ3 4.16Å
120G96.3Very high89.5Confident0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-63.8-37.8178.900000112.8R42 P118 D124R42-G120 PolarHBondContact NH2-O 3.39Å; R42-G120 PolarHBondContact O-N 2.93Å; P118-G120 VanDerWaalsContact C-N 3.27Å; P118-G120 PolarHBondContact O-N 2.56Å; G120-D124 WeakPolarHBondContact O-CB 3.43Å; G120-D124 PolarHBondContact O-N 3.48Å
121L95.8Very high89.3Confident1 Ų124.8 Ų24.81%0.00513%0.127CC..Hα-helixtrans-65.3-49.8174.8167.860.8000110.3Y117 P118 I119 F123 D124 M125 Y259 Y337 H343 V345Y117-L121 HydrophobicContact CD2-CD2 3.88Å; Y117-L121 HydrophobicContact CD2-CG 4.41Å; Y117-L121 HydrophobicContact CG-CD2 3.98Å; P118-L121 HydrophobicContact CB-CB 4.37Å; P118-L121 WeakPolarHBondContact O-CB 3.32Å; P118-L121 PolarHBondContact O-N 3.39Å; I119-L121 VanDerWaalsContact C-N 3.33Å; I119-L121 PolarHBondContact O-N 2.96Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.39Å; L121-D124 PolarHBondContact O-N 2.96Å; L121-D124 VanDerWaalsContact O-N 3.12Å; L121-M125 HydrophobicContact CD1-CG 4.03Å; L121-M125 HydrophobicContact CD1-SD 4.16Å; L121-M125 HydrophobicContact CG-CE 4.25Å; L121-M125 HydrophobicContact CG-SD 4.46Å; L121-M125 WeakPolarHBondContact O-CG 3.5Å; L121-M125 PolarHBondContact O-N 2.97Å; L121-Y259 HydrophobicContact CD1-CD2 3.69Å; L121-Y259 HydrophobicContact CD1-CE2 3.96Å; L121-Y259 HydrophobicContact CD1-CG 4.01Å; L121-Y259 HydrophobicContact CD2-CD1 4.45Å; L121-Y259 HydrophobicContact CD2-CD2 4.27Å; L121-Y259 HydrophobicContact CD2-CE1 3.9Å; L121-Y259 HydrophobicContact CD2-CE2 3.73Å; L121-Y337 PolarHBondContact N-OH 3.03Å; L121-Y337 VanDerWaalsContact N-OH 3.16Å; L121-H343 HydrophobicContact CD1-CB 4.02Å; L121-H343 HydrophobicContact CD2-CB 4.02Å; L121-H343 HydrophobicContact CG-CB 4.41Å; L121-V345 HydrophobicContact CD1-CG2 3.37Å
122V94.4Very high89.3Confident2 Ų228.1 Ų28.11%0.01215%0.145CC..Hα-helixtrans-59.6-42.5178.6-176.70000111F46 L113 P118 I119 D124 M125 C126 W134F46-V122 HydrophobicContact CE2-CB 4.21Å; F46-V122 HydrophobicContact CE2-CG1 4.21Å; F46-V122 HydrophobicContact CE2-CG2 4.25Å; L113-V122 HydrophobicContact CB-CG1 4.36Å; L113-V122 HydrophobicContact CD2-CG1 3.74Å; L113-V122 HydrophobicContact CG-CG1 4.48Å; P118-V122 PolarHBondContact O-N 2.9Å; I119-V122 PolarHBondContact O-N 3.48Å; V122-D124 PolarHBondContact O-N 3.38Å; V122-M125 HydrophobicContact CG2-CE 4.43Å; V122-M125 PolarHBondContact O-N 2.83Å; V122-C126 PolarHBondContact O-N 3.46Å; V122-W134 HydrophobicContact CB-CH2 4.12Å; V122-W134 HydrophobicContact CG1-CH2 3.75Å; V122-W134 HydrophobicContact CG1-CZ2 4.15Å
123F93.8Very high89.3Confident12 Ų1228.9 Ų28.95%0.05315%0.15CC..Hα-helixtrans-61.3-42.7175179.6-98.3000112.4V15 I119 L121 A127 T129 W134V15-F123 HydrophobicContact CG1-CD1 4.43Å; V15-F123 HydrophobicContact CG1-CD2 3.4Å; V15-F123 VanDerWaalsContact CG1-CD2 3.4Å; V15-F123 HydrophobicContact CG1-CE2 3.54Å; V15-F123 HydrophobicContact CG1-CG 3.87Å; V15-F123 HydrophobicContact CG1-CZ 4.12Å; V15-F123 HydrophobicContact CG2-CB 4.21Å; V15-F123 HydrophobicContact CG2-CD1 4.01Å; V15-F123 HydrophobicContact CG2-CD2 4.31Å; V15-F123 HydrophobicContact CG2-CE1 4.47Å; V15-F123 HydrophobicContact CG2-CG 3.9Å; I119-F123 WeakPolarHBondContact O-CB 3.28Å; I119-F123 PolarHBondContact O-N 2.91Å; L121-F123 VanDerWaalsContact C-N 3.29Å; L121-F123 PolarHBondContact O-N 3.39Å; F123-A127 HydrophobicContact CD2-CB 3.3Å; F123-A127 HydrophobicContact CE2-CB 3.39Å; F123-A127 HydrophobicContact CG-CB 4.02Å; F123-A127 HydrophobicContact CZ-CB 4.15Å; F123-A127 VanDerWaalsContact O-CB 3.29Å; F123-A127 WeakPolarHBondContact O-CB 3.46Å; F123-A127 PolarHBondContact O-N 2.76Å; F123-T129 HydrophobicContact CE1-CG2 3.87Å; F123-T129 HydrophobicContact CZ-CG2 4.01Å; F123-W134 HydrophobicContact CB-CE3 4.23Å; F123-W134 HydrophobicContact CB-CH2 4.16Å; F123-W134 HydrophobicContact CB-CZ3 3.85Å; F123-W134 HydrophobicContact CD2-CB 4.3Å; F123-W134 AromaticContact CD2-CD2 3.75Å; F123-W134 HydrophobicContact CD2-CD2 3.75Å; F123-W134 AromaticContact CD2-CE3 3.67Å; F123-W134 HydrophobicContact CD2-CE3 3.67Å; F123-W134 HydrophobicContact CD2-CG 4.04Å; F123-W134 HydrophobicContact CD2-CZ3 4.17Å; F123-W134 HydrophobicContact CE2-CB 4.14Å; F123-W134 HydrophobicContact CE2-CD2 4.43Å; F123-W134 HydrophobicContact CE2-CG 4.25Å; F123-W134 HydrophobicContact CG-CE3 4.42Å
124D92.1Very high89.4Confident1 Ų128.6 Ų28.61%0.00515%0.149CC..Hα-helixtrans-66.5-37.5179.2-73.2-21.6000113R42 G120 L121 V122 G319 V345 R347 R354R42-D124 IonicContact CZ-OD1 3.13Å; R42-D124 IonicContact CZ-OD2 2.74Å; R42-D124 IonicContact NH2-OD1 3.87Å; R42-D124 PolarHBondContact NH2-OD1 2.99Å; R42-D124 IonicContact NH2-OD2 2.73Å; R42-D124 PolarHBondContact NH2-OD2 2.91Å; G120-D124 WeakPolarHBondContact O-CB 3.43Å; G120-D124 PolarHBondContact O-N 3.48Å; L121-D124 PolarHBondContact O-N 2.96Å; L121-D124 VanDerWaalsContact O-N 3.12Å; V122-D124 PolarHBondContact O-N 3.38Å; D124-G319 VanDerWaalsContact OD1-CA 3.3Å; D124-G319 WeakPolarHBondContact OD1-CA 3.49Å; D124-G319 WeakPolarHBondContact OD2-CA 3.36Å; D124-G319 PolarHBondContact OD2-N 3.37Å; D124-V345 HydrophobicContact CB-CB 4.32Å; D124-V345 HydrophobicContact CB-CG2 3.83Å; D124-R347 WeakPolarHBondContact O-CD 3.48Å; D124-R347 PolarHBondContact O-NH1 2.96Å; D124-R347 VanDerWaalsContact O-NH1 3.12Å; D124-R354 IonicContact OD1-CZ 3.76Å; D124-R354 IonicContact OD1-NH1 2.82Å; D124-R354 PolarHBondContact OD1-NH1 3.37Å; D124-R354 IonicContact OD1-NH2 2.9Å; D124-R354 PolarHBondContact OD1-NH2 3.19Å
125M89.5Confident89.4Confident7 Ų731.8 Ų31.83%0.03416%0.162CC..Hα-helixtrans-68.8-53.3176.2-68-170.6-56.100112.4Y117 L121 V122 Y259 V261 V345Y117-M125 HydrophobicContact CD2-CE 3.51Å; Y117-M125 HydrophobicContact CD2-SD 4.47Å; Y117-M125 HydrophobicContact CE2-CE 3.85Å; Y117-M125 HydrophobicContact CE2-SD 4.37Å; L121-M125 HydrophobicContact CD1-CG 4.03Å; L121-M125 HydrophobicContact CD1-SD 4.16Å; L121-M125 HydrophobicContact CG-CE 4.25Å; L121-M125 HydrophobicContact CG-SD 4.46Å; L121-M125 WeakPolarHBondContact O-CG 3.5Å; L121-M125 PolarHBondContact O-N 2.97Å; V122-M125 HydrophobicContact CG2-CE 4.43Å; V122-M125 PolarHBondContact O-N 2.83Å; M125-Y259 HydrophobicContact SD-CD1 3.78Å; M125-Y259 HydrophobicContact SD-CG 3.95Å; M125-V261 HydrophobicContact CB-CG2 4.15Å; M125-V261 HydrophobicContact CG-CG2 4.41Å; M125-V345 HydrophobicContact CB-CG1 4.49Å; M125-V345 HydrophobicContact CG-CG1 3.93Å; M125-V345 HydrophobicContact CG-CG2 3.74Å
126C85Confident89.6Confident24 Ų2430.7 Ų30.716%0.16216%0.158CC..Hα-helixtrans-97.3-43-164.7-55.50000113Y108 V122Y108-C126 HydrophobicContact CD1-CB 4Å; Y108-C126 HydrophobicContact CE1-CB 4.36Å; Y108-C126 WeakPolarHBondContact CE1-O 3.31Å; V122-C126 PolarHBondContact O-N 3.46Å
127A77.8Confident89.7Confident1 Ų131 Ų311%0.00816%0.162CC..  trans-77.2143.1-164.200000113.1Y108 F123 W134 R347Y108-A127 HydrophobicContact CE1-CB 4.45Å; F123-A127 HydrophobicContact CD2-CB 3.3Å; F123-A127 HydrophobicContact CE2-CB 3.39Å; F123-A127 HydrophobicContact CG-CB 4.02Å; F123-A127 HydrophobicContact CZ-CB 4.15Å; F123-A127 VanDerWaalsContact O-CB 3.29Å; F123-A127 WeakPolarHBondContact O-CB 3.46Å; F123-A127 PolarHBondContact O-N 2.76Å; A127-W134 HydrophobicContact CB-CD2 4.48Å; A127-W134 HydrophobicContact CB-CG 4.38Å; A127-R347 PolarHBondContact O-NH1 3.2Å
128N75.2Confident89.6Confident65 Ų6530.4 Ų30.435%0.34816%0.16SC..  trans-79.7118.1163.8-173-10000108.9Y108 M130 D131Y108-N128 PolarHBondContact OH-N 3.17Å; N128-M130 PolarHBondContact O-N 2.95Å; N128-M130 VanDerWaalsContact O-N 3.12Å; N128-M130 PolarHBondContact OD1-N 2.87Å; N128-M130 VanDerWaalsContact OD1-N 3.1Å; N128-D131 PolarHBondContact O-N 2.85Å; N128-D131 VanDerWaalsContact O-N 3.13Å
129T71.9Confident89.5Confident39 Ų3930.8 Ų30.824%0.23916%0.161CC..THydrogen-bonded Turntrans-64.4-15.6-179.831.20000114.9F123 R354F123-T129 HydrophobicContact CE1-CG2 3.87Å; F123-T129 HydrophobicContact CZ-CG2 4.01Å; T129-R354 HydrophobicContact CG2-CG 4.08Å; T129-R354 WeakPolarHBondContact OG1-CG 3.29Å; T129-R354 PolarHBondContact OG1-NE 2.86Å
130M74.6Confident89.2Confident137 Ų13731.2 Ų31.268%0.67516%0.163SC*.THydrogen-bonded Turntrans-83.1-22.4177.9-55.8-61.6-88.900112.1N128 I132 H353N128-M130 PolarHBondContact O-N 2.95Å; N128-M130 VanDerWaalsContact O-N 3.12Å; N128-M130 PolarHBondContact OD1-N 2.87Å; N128-M130 VanDerWaalsContact OD1-N 3.1Å; M130-I132 PolarHBondContact O-N 3.03Å; M130-H353 HydrophobicContact CG-CB 4.06Å
131D83.3Confident88.8Confident65 Ų6532.5 Ų32.535%0.34817%0.173SC..SBendtrans-101.772.7179-16928.7000110.4N128 K135N128-D131 PolarHBondContact O-N 2.85Å; N128-D131 VanDerWaalsContact O-N 3.13Å; D131-K135 VanDerWaalsContact CG-NZ 3.27Å; D131-K135 IonicContact OD1-NZ 2.73Å; D131-K135 PolarHBondContact OD1-NZ 2.99Å; D131-K135 IonicContact OD2-NZ 2.96Å; D131-K135 PolarHBondContact OD2-NZ 3.36Å
132I87.9Confident88.3Confident99 Ų9938 Ų3851%0.50820%0.202SC..  trans-100.2145.2171.552.6168.9000110.5P16 M130P16-I132 HydrophobicContact CG-CB 4.18Å; P16-I132 HydrophobicContact CG-CG2 4.15Å; M130-I132 PolarHBondContact O-N 3.03Å
133P93.9Very high88.1Confident41 Ų4139.8 Ų39.827%0.26621%0.209SC..SBendcis-71.4155.5-030.6-34.7000112.8P16 C18 Y37 K135P16-P133 HydrophobicContact CB-CB 4.21Å; C18-P133 HydrophobicContact CB-CB 4.26Å; C18-P133 HydrophobicContact CB-CG 3.95Å; Y37-P133 HydrophobicContact CD1-CG 4.17Å; Y37-P133 HydrophobicContact CE1-CG 3.89Å; P133-K135 PolarHBondContact O-N 3.06Å; P133-K135 VanDerWaalsContact O-N 3.12Å
134W94.5Very high87.9Confident1 Ų140.1 Ų40.10%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-66109177.7-17322.2000110.6V15 P16 A17 C18 F46 Y108 L113 I119 V122 F123 A127 I136V15-W134 HydrophobicContact CG1-CB 4.32Å; V15-W134 HydrophobicContact CG1-CE3 4.02Å; P16-W134 PolarHBondContact O-N 2.86Å; A17-W134 CarbonylContact C-O 3.56Å; A17-W134 VanDerWaalsContact CA-O 3.28Å; A17-W134 WeakPolarHBondContact CA-O 3.39Å; A17-W134 HydrophobicContact CB-CB 4.41Å; C18-W134 PolarHBondContact N-O 3.14Å; F46-W134 HydrophobicContact CE1-CH2 4.45Å; F46-W134 HydrophobicContact CE1-CZ3 4.16Å; F46-W134 HydrophobicContact CE2-CH2 4.33Å; F46-W134 AromaticContact CZ-CH2 3.53Å; F46-W134 HydrophobicContact CZ-CH2 3.53Å; F46-W134 AromaticContact CZ-CZ3 3.59Å; F46-W134 HydrophobicContact CZ-CZ3 3.59Å; Y108-W134 AromaticContact CD1-NE1 3.69Å; Y108-W134 AromaticContact CD2-CD1 3.41Å; Y108-W134 VanDerWaalsContact CD2-CD1 3.41Å; Y108-W134 AromaticContact CD2-NE1 3.06Å; Y108-W134 AromaticContact CE1-NE1 3.99Å; Y108-W134 AromaticContact CE2-CD1 3.39Å; Y108-W134 AromaticContact CE2-NE1 3.42Å; Y108-W134 AromaticContact CG-NE1 3.2Å; Y108-W134 AromaticContact CZ-NE1 3.85Å; L113-W134 HydrophobicContact CD1-CH2 4.1Å; L113-W134 HydrophobicContact CD1-CZ2 3.83Å; L113-W134 HydrophobicContact CD2-CZ2 4.1Å; I119-W134 HydrophobicContact CG2-CZ3 4.16Å; V122-W134 HydrophobicContact CB-CH2 4.12Å; V122-W134 HydrophobicContact CG1-CH2 3.75Å; V122-W134 HydrophobicContact CG1-CZ2 4.15Å; F123-W134 HydrophobicContact CB-CE3 4.23Å; F123-W134 HydrophobicContact CB-CH2 4.16Å; F123-W134 HydrophobicContact CB-CZ3 3.85Å; F123-W134 HydrophobicContact CD2-CB 4.3Å; F123-W134 AromaticContact CD2-CD2 3.75Å; F123-W134 HydrophobicContact CD2-CD2 3.75Å; F123-W134 AromaticContact CD2-CE3 3.67Å; F123-W134 HydrophobicContact CD2-CE3 3.67Å; F123-W134 HydrophobicContact CD2-CG 4.04Å; F123-W134 HydrophobicContact CD2-CZ3 4.17Å; F123-W134 HydrophobicContact CE2-CB 4.14Å; F123-W134 HydrophobicContact CE2-CD2 4.43Å; F123-W134 HydrophobicContact CE2-CG 4.25Å; F123-W134 HydrophobicContact CG-CE3 4.42Å; A127-W134 HydrophobicContact CB-CD2 4.48Å; A127-W134 HydrophobicContact CB-CG 4.38Å; W134-I136 HydrophobicContact CD2-CD1 3.81Å; W134-I136 HydrophobicContact CD2-CG1 3.91Å; W134-I136 HydrophobicContact CE3-CD1 3.7Å; W134-I136 HydrophobicContact CE3-CG1 4.32Å; W134-I136 HydrophobicContact CG-CD1 4.41Å; W134-I136 HydrophobicContact CG-CG1 4.13Å; W134-I136 HydrophobicContact CH2-CD1 4.41Å; W134-I136 HydrophobicContact CZ2-CD1 4.47Å; W134-I136 HydrophobicContact CZ3-CD1 4.03Å; W134-I136 PolarHBondContact O-N 3.03Å
135K94.8Very high87.7Confident106 Ų10643.7 Ų43.746%0.46123%0.234SC..EExtended strand (participates in β ladder)trans-81.4103.1-175.6-60169.3-167137.20110.5C18 Y108 D131 P133C18-K135 CarbonylContact O-C 3.54Å; C18-K135 WeakPolarHBondContact O-CA 3.4Å; Y108-K135 WeakPolarHBondContact CD2-O 3.39Å; D131-K135 VanDerWaalsContact CG-NZ 3.27Å; D131-K135 IonicContact OD1-NZ 2.73Å; D131-K135 PolarHBondContact OD1-NZ 2.99Å; D131-K135 IonicContact OD2-NZ 2.96Å; D131-K135 PolarHBondContact OD2-NZ 3.36Å; P133-K135 PolarHBondContact O-N 3.06Å; P133-K135 VanDerWaalsContact O-N 3.12Å
136I95.9Very high87.6Confident0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-107.8128.8-177.9-59.1173.9000108.9A17 C18 F19 T20 L40 F46 L106 E107 L113 W134A17-I136 HydrophobicContact CB-CD1 4.26Å; C18-I136 PolarHBondContact O-N 3.14Å; F19-I136 VanDerWaalsContact CA-O 3.29Å; F19-I136 WeakPolarHBondContact CA-O 3.15Å; F19-I136 HydrophobicContact CD1-CB 3.91Å; F19-I136 HydrophobicContact CD1-CG2 3.92Å; F19-I136 HydrophobicContact CE1-CB 3.94Å; F19-I136 HydrophobicContact CE1-CD1 3.89Å; F19-I136 HydrophobicContact CE1-CG2 3.8Å; F19-I136 HydrophobicContact CZ-CD1 3.97Å; T20-I136 PolarHBondContact N-O 2.59Å; L40-I136 HydrophobicContact CD1-CD1 4.19Å; F46-I136 HydrophobicContact CE1-CD1 3.75Å; F46-I136 HydrophobicContact CZ-CD1 4.23Å; L106-I136 HydrophobicContact CB-CG2 3.87Å; L106-I136 HydrophobicContact CD1-CG2 4.41Å; L106-I136 HydrophobicContact CD2-CG2 4.13Å; L106-I136 HydrophobicContact CG-CG2 4.36Å; E107-I136 WeakPolarHBondContact O-CA 3.34Å; L113-I136 HydrophobicContact CD1-CD1 4.27Å; L113-I136 HydrophobicContact CD1-CG1 4.28Å; L113-I136 HydrophobicContact CD1-CG2 4.01Å; W134-I136 HydrophobicContact CD2-CD1 3.81Å; W134-I136 HydrophobicContact CD2-CG1 3.91Å; W134-I136 HydrophobicContact CE3-CD1 3.7Å; W134-I136 HydrophobicContact CE3-CG1 4.32Å; W134-I136 HydrophobicContact CG-CD1 4.41Å; W134-I136 HydrophobicContact CG-CG1 4.13Å; W134-I136 HydrophobicContact CH2-CD1 4.41Å; W134-I136 HydrophobicContact CZ2-CD1 4.47Å; W134-I136 HydrophobicContact CZ3-CD1 4.03Å; W134-I136 PolarHBondContact O-N 3.03Å
137T96.3Very high87.6Confident35 Ų3552.9 Ų52.922%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-95.1134.9174.8-550000109.9T20 A22 L106 E107 H139T20-T137 CarbonylContact O-C 3.6Å; T20-T137 WeakPolarHBondContact O-CA 3.47Å; T20-T137 PolarHBondContact OG1-OG1 2.96Å; A22-T137 HydrophobicContact CB-CG2 3.78Å; L106-T137 CarbonylContact C-O 3.6Å; L106-T137 WeakPolarHBondContact CA-O 3.38Å; E107-T137 PolarHBondContact N-O 3.47Å; E107-T137 PolarHBondContact O-N 3.21Å; T137-H139 WeakPolarHBondContact CG2-NE2 3.39Å
138V95.3Very high88.1Confident0 Ų053.3 Ų53.30%028%0.283CS..EExtended strand (participates in β ladder)trans-100.7128.2178.8-178.40000108.2F19 T20 L21 A22 V53 I54 F57 L106 F140F19-V138 HydrophobicContact CB-CG2 4.36Å; F19-V138 HydrophobicContact CD1-CG2 3.88Å; T20-V138 PolarHBondContact O-N 3.01Å; L21-V138 WeakPolarHBondContact CD1-O 3.49Å; A22-V138 WeakPolarHBondContact CB-O 3.44Å; A22-V138 PolarHBondContact N-O 3.13Å; V53-V138 HydrophobicContact CG1-CG2 4.14Å; I54-V138 HydrophobicContact CD1-CG1 3.5Å; I54-V138 VanDerWaalsContact CD1-CG1 3.5Å; F57-V138 HydrophobicContact CD2-CB 3.91Å; F57-V138 HydrophobicContact CD2-CG1 4.25Å; F57-V138 HydrophobicContact CD2-CG2 3.81Å; F57-V138 HydrophobicContact CE2-CB 4.31Å; F57-V138 HydrophobicContact CE2-CG2 3.85Å; L106-V138 HydrophobicContact CD2-CB 4.32Å; L106-V138 HydrophobicContact CD2-CG1 4.37Å; L106-V138 HydrophobicContact CD2-CG2 3.77Å; V138-F140 HydrophobicContact CG1-CE2 4.26Å; V138-F140 HydrophobicContact CG1-CZ 4.22Å
139H93.6Very high88.7Confident10 Ų1054.1 Ų54.15%0.04629%0.287CS..EExtended strand (participates in β ladder)trans-118.5146.1176.9-63.6-108.8000111A22 E24 D25 F104 W105 E107 T137A22-H139 VanDerWaalsContact CB-CE1 3.48Å; A22-H139 WeakPolarHBondContact CB-CE1 3.37Å; A22-H139 WeakPolarHBondContact CB-ND1 3.48Å; E24-H139 IonicContact OE1-CE1 2.78Å; E24-H139 PolarHBondContact OE1-CE1 3.22Å; E24-H139 IonicContact OE1-ND1 3.56Å; E24-H139 PolarHBondContact OE1-ND1 2.93Å; D25-H139 WeakPolarHBondContact OD2-CA 3.34Å; F104-H139 VanDerWaalsContact CA-O 3.23Å; F104-H139 WeakPolarHBondContact CA-O 3.18Å; F104-H139 WeakPolarHBondContact CB-O 3.34Å; W105-H139 HydrophobicContact CD2-CB 3.91Å; W105-H139 AromaticContact CE2-CD2 4Å; W105-H139 AromaticContact CE2-CG 3.54Å; W105-H139 HydrophobicContact CG-CB 4.09Å; W105-H139 AromaticContact CH2-CD2 3.78Å; W105-H139 AromaticContact CH2-CE1 3.91Å; W105-H139 AromaticContact CH2-CG 3.92Å; W105-H139 AromaticContact CH2-ND1 4Å; W105-H139 AromaticContact CH2-NE2 3.83Å; W105-H139 HydrophobicContact CZ2-CB 3.74Å; W105-H139 AromaticContact CZ2-CD2 3.74Å; W105-H139 AromaticContact CZ2-CE1 3.85Å; W105-H139 AromaticContact CZ2-CG 3.39Å; W105-H139 AromaticContact CZ2-ND1 3.47Å; W105-H139 WeakPolarHBondContact CZ2-ND1 3.43Å; W105-H139 PolarHBondContact N-O 3.08Å; W105-H139 AromaticContact NE1-CG 3.9Å; W105-H139 PolarHBondContact O-N 2.9Å; E107-H139 WeakPolarHBondContact CB-NE2 3.49Å; E107-H139 IonicContact OE2-CE1 2.93Å; E107-H139 IonicContact OE2-NE2 3.45Å; E107-H139 PolarHBondContact OE2-NE2 3.02Å; T137-H139 WeakPolarHBondContact CG2-NE2 3.39Å
140F90.8Very high89.2Confident9 Ų955.9 Ų55.94%0.03930%0.301CS..SBendtrans-118.9-8.1174.9-67.5-69.3000113.1L21 D25 I54 F57 L100 F104 V138L21-F140 HydrophobicContact CD1-CD2 3.69Å; L21-F140 HydrophobicContact CD1-CE2 3.65Å; D25-F140 PolarHBondContact OD2-N 3.04Å; I54-F140 HydrophobicContact CG2-CE1 3.78Å; I54-F140 HydrophobicContact CG2-CZ 4.16Å; F57-F140 HydrophobicContact CB-CE2 3.8Å; F57-F140 HydrophobicContact CB-CZ 4.06Å; L100-F140 HydrophobicContact CB-CD1 3.88Å; L100-F140 HydrophobicContact CB-CE1 4.18Å; L100-F140 HydrophobicContact CD1-CB 4.46Å; L100-F140 HydrophobicContact CD1-CD1 4.36Å; L100-F140 HydrophobicContact CD1-CG 4.4Å; F104-F140 HydrophobicContact CB-CD1 4.01Å; F104-F140 HydrophobicContact CB-CE1 4.03Å; V138-F140 HydrophobicContact CG1-CE2 4.26Å; V138-F140 HydrophobicContact CG1-CZ 4.22Å
141S87.9Confident89.2Confident28 Ų2851.6 Ų51.620%0.19628%0.283CS..SBendtrans-119.4175.8173.466.60000111.4D25 W105 Y143D25-S141 WeakPolarHBondContact OD1-CB 3.45Å; D25-S141 PolarHBondContact OD1-N 3.1Å; D25-S141 VanDerWaalsContact OD1-N 3.13Å; D25-S141 PolarHBondContact OD1-OG 3.4Å; W105-S141 PolarHBondContact NE1-O 3.21Å; S141-Y143 VanDerWaalsContact C-N 3.34Å; S141-Y143 PolarHBondContact O-N 2.71Å
142N87Confident89Confident116 Ų11651.2 Ų51.262%0.6229%0.285SS*.SBendtrans52.844171.6-57.4-33.8000114.7W105 P144W105-N142 PolarHBondContact NE1-O 3.03Å; N142-P144 WeakPolarHBondContact O-CD 3.36Å
143Y89.9Confident88.7Confident40 Ų4046.7 Ų46.716%0.15726%0.262CS..  trans-58.1121-178-167.4-81.2000111.8W105 S141 T145 L148 L149 V153W105-Y143 HydrophobicContact CB-CD2 3.92Å; W105-Y143 HydrophobicContact CB-CE2 3.78Å; W105-Y143 AromaticContact CD1-CD2 3.89Å; W105-Y143 HydrophobicContact CG-CD2 4.18Å; S141-Y143 VanDerWaalsContact C-N 3.34Å; S141-Y143 PolarHBondContact O-N 2.71Å; Y143-T145 VanDerWaalsContact C-N 3.3Å; Y143-T145 PolarHBondContact O-N 2.73Å; Y143-T145 PolarHBondContact O-OG1 2.87Å; Y143-L148 HydrophobicContact CE1-CB 3.77Å; Y143-L148 HydrophobicContact CE1-CD1 4.43Å; Y143-L148 HydrophobicContact CE2-CD1 4.48Å; Y143-L148 WeakPolarHBondContact OH-CB 3.43Å; Y143-L149 PolarHBondContact OH-O 2.98Å; Y143-V153 HydrophobicContact CE2-CG2 4.21Å
144P89.7Confident88.3Confident18 Ų1845.4 Ų45.412%0.11725%0.254CS..  trans-79.577.9-175.531.9-34.8000110.7W105 P112 N142 D146 L147 L148W105-P144 HydrophobicContact CD2-CG 3.97Å; W105-P144 HydrophobicContact CE3-CG 3.98Å; W105-P144 HydrophobicContact CG-CG 4.4Å; W105-P144 HydrophobicContact CZ3-CG 4.37Å; P112-P144 HydrophobicContact CB-CG 3.76Å; P112-P144 HydrophobicContact CG-CB 4.02Å; P112-P144 HydrophobicContact CG-CG 3.61Å; N142-P144 WeakPolarHBondContact O-CD 3.36Å; P144-D146 PolarHBondContact O-N 2.81Å; P144-L147 HydrophobicContact CB-CB 4.34Å; P144-L147 HydrophobicContact CB-CD1 4.47Å; P144-L147 PolarHBondContact O-N 2.9Å; P144-L148 HydrophobicContact CG-CD1 3.78Å; P144-L148 HydrophobicContact CG-CG 3.99Å; P144-L148 PolarHBondContact O-N 2.83Å
145T87.1Confident88Confident77 Ų7749.2 Ų49.247%0.47227%0.268SS..THydrogen-bonded Turntrans-64.1-24.5-172.8-560000113.1Y143 L148Y143-T145 VanDerWaalsContact C-N 3.3Å; Y143-T145 PolarHBondContact O-N 2.73Å; Y143-T145 PolarHBondContact O-OG1 2.87Å; T145-L148 VanDerWaalsContact O-O 3.07Å
146D86.5Confident87.8Confident148 Ų14849 Ų4979%0.79127%0.272SS*.THydrogen-bonded Turntrans-80.2-17.117827-56.7000113P144P144-D146 PolarHBondContact O-N 2.81Å
147L85.9Confident87.6Confident76 Ų7650.3 Ų50.340%0.39828%0.282SS..THydrogen-bonded Turntrans-112.9-26.7179.7-60.7178000113.4P112 P144 T268P112-L147 HydrophobicContact CG-CB 4.48Å; P112-L147 HydrophobicContact CG-CD1 3.92Å; P144-L147 HydrophobicContact CB-CB 4.34Å; P144-L147 HydrophobicContact CB-CD1 4.47Å; P144-L147 PolarHBondContact O-N 2.9Å; L147-T268 HydrophobicContact CD1-CG2 4.32Å; L147-T268 HydrophobicContact CD2-CG2 4.19Å
148L88.4Confident87.5Confident9 Ų948.6 Ų48.65%0.04727%0.272CS..SBendtrans-117.6151.8-177.8-62.6-175.4000111.8W105 P112 K114 Y143 P144 T145 S150W105-L148 HydrophobicContact CB-CD1 3.79Å; P112-L148 HydrophobicContact CB-CD1 3.83Å; P112-L148 HydrophobicContact CB-CD2 3.92Å; P112-L148 HydrophobicContact CB-CG 3.82Å; K114-L148 HydrophobicContact CG-CD2 4.04Å; Y143-L148 HydrophobicContact CE1-CB 3.77Å; Y143-L148 HydrophobicContact CE1-CD1 4.43Å; Y143-L148 HydrophobicContact CE2-CD1 4.48Å; Y143-L148 WeakPolarHBondContact OH-CB 3.43Å; P144-L148 HydrophobicContact CG-CD1 3.78Å; P144-L148 HydrophobicContact CG-CG 3.99Å; P144-L148 PolarHBondContact O-N 2.83Å; T145-L148 VanDerWaalsContact O-O 3.07Å; L148-S150 PolarHBondContact O-N 3.12Å
149L87.7Confident87.5Confident83 Ų8350.8 Ų50.844%0.43528%0.282SS..PPolyproline II helixtrans-62.5128.4171.8-63.2178.8000109.7W115 H116 Y143W115-L149 HydrophobicContact CH2-CD1 4.31Å; W115-L149 HydrophobicContact CZ2-CB 3.94Å; W115-L149 HydrophobicContact CZ2-CD1 3.78Å; W115-L149 PolarHBondContact NE1-O 3.36Å; H116-L149 HydrophobicContact CB-CD1 3.99Å; H116-L149 WeakPolarHBondContact ND1-CD1 3.37Å; Y143-L149 PolarHBondContact OH-O 2.98Å
150S81.4Confident87.6Confident76 Ų7654.3 Ų54.353%0.53130%0.304SS..PPolyproline II helixtrans-51.8146.5-174.5-51.50000113.2L148L148-S150 PolarHBondContact O-N 3.12Å
151P76.1Confident87.8Confident46 Ų4655.8 Ų55.830%0.29931%0.311SS..SBendtrans-61.1160.117326.7-34.1000111.6E103E103-P151 HydrophobicContact CG-CB 4.39Å
152P78.8Confident88.3Confident58 Ų5854.5 Ų54.538%0.37730%0.302SS..PPolyproline II helixcis-81.1133.512.430.9-34.6000113.8H102 S154H102-P152 HydrophobicContact CB-CB 3.91Å; P152-S154 VanDerWaalsContact C-N 3.26Å; P152-S154 PolarHBondContact O-N 3.37Å
153V81.5Confident88.7Confident4 Ų450.4 Ų50.42%0.02428%0.28CS..  trans-78.582.3166.8-174.70000107.5P47 H102 F104 W115 Y143P47-V153 HydrophobicContact CB-CG1 3.82Å; P47-V153 HydrophobicContact CG-CG1 3.31Å; H102-V153 PolarHBondContact ND1-O 3.14Å; H102-V153 PolarHBondContact O-N 3.48Å; F104-V153 HydrophobicContact CE1-CB 4.18Å; F104-V153 HydrophobicContact CE1-CG1 3.95Å; F104-V153 HydrophobicContact CZ-CG1 3.83Å; W115-V153 HydrophobicContact CB-CG1 4.39Å; W115-V153 HydrophobicContact CG-CG1 4.19Å; Y143-V153 HydrophobicContact CE2-CG2 4.21Å
154S84.2Confident89Confident14 Ų1451.9 Ų51.910%0.09830%0.296CS..  trans-115.2160.2-173.675.30000112.6P152 L156 A157 V158P152-S154 VanDerWaalsContact C-N 3.26Å; P152-S154 PolarHBondContact O-N 3.37Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-A157 WeakPolarHBondContact O-CB 3.26Å; S154-A157 PolarHBondContact O-N 2.97Å; S154-A157 VanDerWaalsContact O-N 3.16Å; S154-A157 PolarHBondContact OG-N 3.47Å; S154-A157 VanDerWaalsContact OG-N 3.1Å; S154-V158 WeakPolarHBondContact O-CG2 3.19Å; S154-V158 PolarHBondContact O-N 2.9Å; S154-V158 VanDerWaalsContact O-N 3.11Å
155R89.4Confident89.4Confident80 Ų8051.2 Ų51.230%0.30229%0.291SS..Hα-helixtrans-56.5-39.5173.4-174.8178.7-65.3171.92.9111.6L48 E51 V158 E159 W191 L195L48-R155 HydrophobicContact CD2-CG 4.17Å; E51-R155 IonicContact OE2-CZ 3.49Å; E51-R155 IonicContact OE2-NH2 3.72Å; E51-R155 PolarHBondContact OE2-NH2 3.39Å; R155-V158 PolarHBondContact O-N 3.46Å; R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.83Å; R155-W191 HydrophobicContact CG-CZ2 3.73Å; R155-L195 HydrophobicContact CG-CD1 4.47Å
156L90.5Very high89.9Confident103 Ų10347.6 Ų47.654%0.53927%0.269SS..Hα-helixtrans-65.8-39.2177.9-179.961.8000112.2S154 E159 T160S154-L156 PolarHBondContact O-N 2.96Å; L156-E159 PolarHBondContact O-N 2.9Å; L156-T160 WeakPolarHBondContact O-CB 3.37Å; L156-T160 PolarHBondContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 2.91Å
157A91.5Very high90.4Very high26 Ų2645.8 Ų45.822%0.21525%0.254CS..Hα-helixtrans-63.1-43.3175.600000111.3W115 S154 T160 H161W115-A157 HydrophobicContact CH2-CB 4.09Å; S154-A157 WeakPolarHBondContact O-CB 3.26Å; S154-A157 PolarHBondContact O-N 2.97Å; S154-A157 VanDerWaalsContact O-N 3.16Å; S154-A157 PolarHBondContact OG-N 3.47Å; S154-A157 VanDerWaalsContact OG-N 3.1Å; A157-T160 PolarHBondContact O-N 2.81Å; A157-H161 WeakPolarHBondContact O-CB 3.41Å; A157-H161 PolarHBondContact O-N 3.1Å
158V94.3Very high91Very high0 Ų045.1 Ų45.10%025%0.249CC..Hα-helixtrans-65.3-43175.3-176.60000111.6Y45 P47 L48 W115 S154 R155 T160 H161 F162 W191Y45-V158 HydrophobicContact CD2-CG1 3.67Å; Y45-V158 HydrophobicContact CE2-CG1 4.43Å; Y45-V158 HydrophobicContact CG-CG1 3.81Å; P47-V158 HydrophobicContact CB-CG2 3.88Å; P47-V158 HydrophobicContact CG-CG2 3.79Å; L48-V158 HydrophobicContact CD1-CG1 3.9Å; L48-V158 HydrophobicContact CD2-CB 4.11Å; L48-V158 HydrophobicContact CD2-CG1 4Å; L48-V158 HydrophobicContact CD2-CG2 4.43Å; L48-V158 HydrophobicContact CG-CG1 3.95Å; W115-V158 HydrophobicContact CE3-CG2 3.87Å; W115-V158 HydrophobicContact CZ3-CB 4.47Å; W115-V158 HydrophobicContact CZ3-CG2 3.83Å; S154-V158 WeakPolarHBondContact O-CG2 3.19Å; S154-V158 PolarHBondContact O-N 2.9Å; S154-V158 VanDerWaalsContact O-N 3.11Å; R155-V158 PolarHBondContact O-N 3.46Å; V158-T160 VanDerWaalsContact C-N 3.35Å; V158-T160 PolarHBondContact O-N 3Å; V158-H161 PolarHBondContact O-N 3.13Å; V158-F162 WeakPolarHBondContact O-CB 3.46Å; V158-F162 PolarHBondContact O-N 3.41Å; V158-W191 HydrophobicContact CB-CH2 4.1Å; V158-W191 HydrophobicContact CG1-CH2 3.88Å; V158-W191 HydrophobicContact CG1-CZ3 4.22Å
159E95.8Very high91.4Very high46 Ų4644.7 Ų44.722%0.21525%0.247CC..Hα-helixtrans-58.9-46.8176.5-175.9171.7175.600111.6R155 L156 F162 L163 W191R155-E159 WeakPolarHBondContact O-CB 3.4Å; R155-E159 PolarHBondContact O-N 2.83Å; L156-E159 PolarHBondContact O-N 2.9Å; E159-F162 PolarHBondContact O-N 2.79Å; E159-L163 HydrophobicContact CG-CD1 4.2Å; E159-L163 WeakPolarHBondContact O-CG 3.48Å; E159-L163 PolarHBondContact O-N 2.91Å; E159-W191 HydrophobicContact CB-CD2 3.98Å; E159-W191 HydrophobicContact CB-CE3 4.24Å; E159-W191 HydrophobicContact CB-CH2 3.85Å; E159-W191 HydrophobicContact CB-CZ2 3.58Å; E159-W191 HydrophobicContact CB-CZ3 4.18Å; E159-W191 VanDerWaalsContact CD-NE1 3.3Å; E159-W191 HydrophobicContact CG-CD2 3.7Å; E159-W191 HydrophobicContact CG-CE3 4.2Å; E159-W191 HydrophobicContact CG-CG 3.84Å; E159-W191 HydrophobicContact CG-CZ2 4.2Å; E159-W191 PolarHBondContact OE2-NE1 2.82Å
160T94.8Very high91.9Very high83 Ų8340.8 Ų40.851%0.50923%0.226SC..Hα-helixtrans-63.6-45.9179.7-57.50000111.1L156 A157 V158 L163 S164L156-T160 WeakPolarHBondContact O-CB 3.37Å; L156-T160 PolarHBondContact O-N 3.12Å; L156-T160 PolarHBondContact O-OG1 2.91Å; A157-T160 PolarHBondContact O-N 2.81Å; V158-T160 VanDerWaalsContact C-N 3.35Å; V158-T160 PolarHBondContact O-N 3Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-S164 WeakPolarHBondContact O-CB 3.4Å; T160-S164 PolarHBondContact O-N 3.43Å
161H95.6Very high92.7Very high41 Ų4139 Ų3919%0.1922%0.216CC..Hα-helixtrans-59.3-49.4175.5178.468.5000111.3W115 H116 A157 V158 L163 S164 M165W115-H161 HydrophobicContact CZ3-CB 4.38Å; H116-H161 PolarHBondContact O-NE2 3.45Å; A157-H161 WeakPolarHBondContact O-CB 3.41Å; A157-H161 PolarHBondContact O-N 3.1Å; V158-H161 PolarHBondContact O-N 3.13Å; H161-L163 PolarHBondContact O-N 2.99Å; H161-S164 WeakPolarHBondContact O-CB 3.4Å; H161-S164 PolarHBondContact O-N 3.21Å; H161-M165 WeakPolarHBondContact O-CG 3.49Å; H161-M165 PolarHBondContact O-N 3.12Å
162F97.2Very high93.6Very high0 Ų038.2 Ų38.20%021%0.209CC..Hα-helixtrans-57.8-46.8179.4174.2-110.3000112.8Y45 V158 E159 M165 I166 W191 L194 F202 P338 D339Y45-F162 HydrophobicContact CE2-CD2 4.09Å; V158-F162 WeakPolarHBondContact O-CB 3.46Å; V158-F162 PolarHBondContact O-N 3.41Å; E159-F162 PolarHBondContact O-N 2.79Å; F162-M165 WeakPolarHBondContact O-CB 3.29Å; F162-M165 PolarHBondContact O-N 3.46Å; F162-I166 HydrophobicContact CD1-CD1 4.25Å; F162-I166 HydrophobicContact CE1-CD1 3.54Å; F162-I166 HydrophobicContact CE2-CD1 3.87Å; F162-I166 HydrophobicContact CE2-CG1 4.32Å; F162-I166 HydrophobicContact CZ-CD1 3.34Å; F162-I166 HydrophobicContact CZ-CG1 4.25Å; F162-I166 PolarHBondContact O-N 3.37Å; F162-W191 HydrophobicContact CB-CZ3 4.21Å; F162-W191 AromaticContact CD1-CE3 3.73Å; F162-W191 HydrophobicContact CD1-CE3 3.73Å; F162-W191 HydrophobicContact CD1-CZ3 4.2Å; F162-W191 HydrophobicContact CE1-CE3 4.28Å; F162-W191 HydrophobicContact CG-CE3 4.3Å; F162-W191 HydrophobicContact CG-CZ3 4.32Å; F162-L194 HydrophobicContact CD1-CD2 4.38Å; F162-L194 HydrophobicContact CD2-CD2 3.76Å; F162-L194 HydrophobicContact CE1-CD2 4.24Å; F162-L194 HydrophobicContact CE2-CD2 3.6Å; F162-L194 HydrophobicContact CG-CD2 4.12Å; F162-L194 HydrophobicContact CZ-CD2 3.84Å; F162-F202 AromaticContact CZ-CE2 3.99Å; F162-F202 HydrophobicContact CZ-CE2 3.99Å; F162-P338 HydrophobicContact CE2-CB 3.94Å; F162-P338 WeakPolarHBondContact CE2-O 3.25Å; F162-P338 HydrophobicContact CZ-CB 4.32Å; F162-D339 HydrophobicContact CD2-CB 4.19Å; F162-D339 HydrophobicContact CE2-CB 4.25Å
163L96.3Very high94.5Very high30 Ų3035.4 Ų35.416%0.15719%0.191CC..Hα-helixtrans-68.6-34.4177.7-70.8176000112.4E159 T160 H161 M165 I166 K167 H187E159-L163 HydrophobicContact CG-CD1 4.2Å; E159-L163 WeakPolarHBondContact O-CG 3.48Å; E159-L163 PolarHBondContact O-N 2.91Å; T160-L163 PolarHBondContact O-N 2.79Å; H161-L163 PolarHBondContact O-N 2.99Å; L163-M165 VanDerWaalsContact C-N 3.32Å; L163-I166 PolarHBondContact O-N 3.47Å; L163-K167 VanDerWaalsContact O-CG 3.3Å; L163-K167 WeakPolarHBondContact O-CG 3.3Å; L163-K167 PolarHBondContact O-N 2.86Å; L163-H187 HydrophobicContact CD2-CB 4.18Å
164S96.9Very high95.1Very high71 Ų7135.5 Ų35.550%0.49719%0.191SC..Hα-helixtrans-61.5-43.9173.1-171.10000111.1T160 H161 K167 E168T160-S164 WeakPolarHBondContact O-CB 3.4Å; T160-S164 PolarHBondContact O-N 3.43Å; H161-S164 WeakPolarHBondContact O-CB 3.4Å; H161-S164 PolarHBondContact O-N 3.21Å; S164-K167 PolarHBondContact O-N 3.25Å; S164-E168 PolarHBondContact O-N 3.02Å
165M97.6Very high95.6Very high5 Ų541 Ų413%0.02521%0.21CC..Hα-helixtrans-62.4-44.9177.1-75.6-58.4-53.500112.5H161 F162 L163 K167 E168 A169 R257 D339 F341H161-M165 WeakPolarHBondContact O-CG 3.49Å; H161-M165 PolarHBondContact O-N 3.12Å; F162-M165 WeakPolarHBondContact O-CB 3.29Å; F162-M165 PolarHBondContact O-N 3.46Å; L163-M165 VanDerWaalsContact C-N 3.32Å; M165-K167 VanDerWaalsContact C-N 3.34Å; M165-K167 PolarHBondContact O-N 3.14Å; M165-E168 PolarHBondContact O-N 3.19Å; M165-A169 WeakPolarHBondContact O-CB 3.28Å; M165-A169 PolarHBondContact O-N 3Å; M165-R257 PolarHBondContact SD-NH1 2.88Å; M165-R257 PolarHBondContact SD-NH2 3.13Å; M165-R257 VanDerWaalsContact SD-NH2 3.36Å; M165-D339 HydrophobicContact CB-CB 3.88Å; M165-F341 HydrophobicContact CE-CB 4.34Å; M165-F341 HydrophobicContact CE-CD1 4.38Å; M165-F341 HydrophobicContact CE-CD2 3.15Å; M165-F341 HydrophobicContact CE-CE2 3.33Å; M165-F341 HydrophobicContact CE-CG 3.72Å; M165-F341 HydrophobicContact CE-CZ 4.05Å; M165-F341 WeakPolarHBondContact O-CE2 3.48Å
166I97.5Very high95.8Very high1 Ų138.8 Ų38.81%0.00521%0.206CC..Hα-helixtrans-60.6-43.5175-72.5-178.5000111.5F162 L163 E168 A169 D170 I179 L190 L209F162-I166 HydrophobicContact CD1-CD1 4.25Å; F162-I166 HydrophobicContact CE1-CD1 3.54Å; F162-I166 HydrophobicContact CE2-CD1 3.87Å; F162-I166 HydrophobicContact CE2-CG1 4.32Å; F162-I166 HydrophobicContact CZ-CD1 3.34Å; F162-I166 HydrophobicContact CZ-CG1 4.25Å; F162-I166 PolarHBondContact O-N 3.37Å; L163-I166 PolarHBondContact O-N 3.47Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 3.47Å; I166-A169 PolarHBondContact O-N 3.17Å; I166-D170 WeakPolarHBondContact O-CB 3.37Å; I166-D170 PolarHBondContact O-N 3.42Å; I166-I179 HydrophobicContact CG2-CD1 3.77Å; I166-I179 HydrophobicContact CG2-CG1 4.46Å; I166-L190 HydrophobicContact CD1-CD1 4.35Å; I166-L209 HydrophobicContact CG2-CD1 3.83Å
167K97.4Very high96.1Very high109 Ų10940.9 Ų40.947%0.47421%0.208SC..Hα-helixtrans-62.4-41.4178.1-74.8171.1179.1-1800111.8L163 S164 M165 D170 A171 I179L163-K167 VanDerWaalsContact O-CG 3.3Å; L163-K167 WeakPolarHBondContact O-CG 3.3Å; L163-K167 PolarHBondContact O-N 2.86Å; S164-K167 PolarHBondContact O-N 3.25Å; M165-K167 VanDerWaalsContact C-N 3.34Å; M165-K167 PolarHBondContact O-N 3.14Å; K167-D170 PolarHBondContact O-N 3.27Å; K167-A171 WeakPolarHBondContact O-CB 3.42Å; K167-A171 PolarHBondContact O-N 3.31Å; K167-I179 HydrophobicContact CG-CG1 3.92Å; K167-I179 HydrophobicContact CG-CG2 4.47Å
168E97.9Very high96.2Very high63 Ų6340.8 Ų40.829%0.29421%0.205SC..Hα-helixtrans-63.4-45.7175.6-170.2-171.715400111.2S164 M165 I166 D170 A171 L172 R257 Q274 F341S164-E168 PolarHBondContact O-N 3.02Å; M165-E168 PolarHBondContact O-N 3.19Å; I166-E168 VanDerWaalsContact C-N 3.33Å; I166-E168 PolarHBondContact O-N 3.47Å; E168-D170 VanDerWaalsContact C-N 3.33Å; E168-D170 PolarHBondContact O-N 3.04Å; E168-A171 WeakPolarHBondContact O-CB 3.42Å; E168-A171 PolarHBondContact O-N 3.43Å; E168-L172 PolarHBondContact O-N 2.93Å; E168-R257 IonicContact OE1-NH2 4Å; E168-R257 PolarHBondContact OE1-NH2 2.93Å; E168-R257 IonicContact OE2-NH2 3.49Å; E168-R257 PolarHBondContact OE2-NH2 3.36Å; E168-Q274 PolarHBondContact OE1-NE2 3.42Å; E168-Q274 PolarHBondContact OE1-OE1 2.96Å; E168-F341 HydrophobicContact CB-CE2 4.17Å; E168-F341 HydrophobicContact CB-CZ 4.27Å; E168-F341 HydrophobicContact CG-CE2 4.31Å; E168-F341 HydrophobicContact CG-CZ 3.9Å
169A97.9Very high96.2Very high0 Ų041 Ų410%021%0.206CC..Hα-helixtrans-60.7-42.6176.500000111.8M165 I166 L172 K173 P255 N340 F341M165-A169 WeakPolarHBondContact O-CB 3.28Å; M165-A169 PolarHBondContact O-N 3Å; I166-A169 PolarHBondContact O-N 3.17Å; A169-L172 PolarHBondContact O-N 3.03Å; A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.22Å; A169-P255 HydrophobicContact CB-CB 4Å; A169-P255 HydrophobicContact CB-CG 3.93Å; A169-N340 HydrophobicContact CB-CB 3.48Å; A169-N340 VanDerWaalsContact CB-CB 3.48Å; A169-F341 HydrophobicContact CB-CD2 3.8Å; A169-F341 HydrophobicContact CB-CE2 3.62Å; A169-F341 HydrophobicContact CB-CZ 4.48Å
170D97.4Very high96.2Very high1 Ų144.9 Ų44.91%0.00523%0.228CC..Hα-helixtrans-71-30.2177.9-163.259.7000112.8I166 K167 E168 L172 K173 H174 R175 S176 V178 I179 L209I166-D170 WeakPolarHBondContact O-CB 3.37Å; I166-D170 PolarHBondContact O-N 3.42Å; K167-D170 PolarHBondContact O-N 3.27Å; E168-D170 VanDerWaalsContact C-N 3.33Å; E168-D170 PolarHBondContact O-N 3.04Å; D170-L172 VanDerWaalsContact C-N 3.29Å; D170-L172 PolarHBondContact O-N 3.31Å; D170-K173 PolarHBondContact O-N 2.96Å; D170-H174 CarbonylContact O-C 3.51Å; D170-H174 WeakPolarHBondContact O-CA 3.49Å; D170-H174 PolarHBondContact O-N 3.48Å; D170-H174 IonicContact OD1-CE1 2.87Å; D170-H174 IonicContact OD1-CG 2.76Å; D170-H174 IonicContact OD1-ND1 3.94Å; D170-H174 PolarHBondContact OD1-ND1 2.85Å; D170-R175 PolarHBondContact O-N 3.43Å; D170-S176 PolarHBondContact O-N 3.34Å; D170-S176 WeakPolarHBondContact OD2-CA 3.32Å; D170-V178 PolarHBondContact OD2-N 2.87Å; D170-I179 HydrophobicContact CB-CB 3.99Å; D170-I179 HydrophobicContact CB-CG2 3.96Å; D170-I179 WeakPolarHBondContact OD2-CB 3.4Å; D170-I179 VanDerWaalsContact OD2-CG2 3.26Å; D170-I179 WeakPolarHBondContact OD2-CG2 3.24Å; D170-I179 PolarHBondContact OD2-N 3.4Å; D170-L209 HydrophobicContact CB-CD2 4.26Å
171A97.2Very high96.2Very high38 Ų3846.7 Ų46.731%0.31423%0.231SC..Hα-helixtrans-59.3-42.7170.600000111.3K167 E168 R175 S176K167-A171 WeakPolarHBondContact O-CB 3.42Å; K167-A171 PolarHBondContact O-N 3.31Å; E168-A171 WeakPolarHBondContact O-CB 3.42Å; E168-A171 PolarHBondContact O-N 3.43Å; A171-R175 VanDerWaalsContact O-CA 3.3Å; A171-R175 WeakPolarHBondContact O-CA 3.24Å; A171-R175 PolarHBondContact O-N 2.91Å; A171-R175 VanDerWaalsContact O-N 3.14Å; A171-S176 WeakPolarHBondContact CA-OG 3.41Å; A171-S176 WeakPolarHBondContact CB-OG 3.38Å
172L96.9Very high96.1Very high29 Ų2945.8 Ų45.815%0.15223%0.227CC..Hα-helixtrans-70.3-45.3176.9-66.4174.7000112.2E168 A169 D170 Y253 P255 L276 F341E168-L172 PolarHBondContact O-N 2.93Å; A169-L172 PolarHBondContact O-N 3.03Å; D170-L172 VanDerWaalsContact C-N 3.29Å; D170-L172 PolarHBondContact O-N 3.31Å; L172-Y253 PolarHBondContact O-N 2.81Å; L172-Y253 VanDerWaalsContact O-N 3.1Å; L172-P255 HydrophobicContact CB-CG 4.17Å; L172-P255 HydrophobicContact CD1-CB 4Å; L172-P255 HydrophobicContact CD1-CG 4.37Å; L172-L276 HydrophobicContact CD2-CD2 3.79Å; L172-F341 HydrophobicContact CD1-CE1 4.32Å; L172-F341 HydrophobicContact CD1-CZ 4.2Å
173K96.3Very high96Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-74.8-45.8-176.5-69-173.7-72179.90113.5A169 D170 L209 M210 F251 R252 P255 N340A169-K173 WeakPolarHBondContact O-CG 3.33Å; A169-K173 PolarHBondContact O-N 3.22Å; D170-K173 PolarHBondContact O-N 2.96Å; K173-L209 WeakPolarHBondContact CE-O 3.34Å; K173-L209 PolarHBondContact NZ-O 3.14Å; K173-M210 PolarHBondContact NZ-SD 2.78Å; K173-F251 HydrophobicContact CB-CB 4.18Å; K173-F251 HydrophobicContact CB-CD1 4.16Å; K173-F251 HydrophobicContact CB-CG 4.14Å; K173-F251 HydrophobicContact CD-CD1 4.02Å; K173-F251 HydrophobicContact CD-CD2 3.81Å; K173-F251 HydrophobicContact CD-CE1 4.09Å; K173-F251 HydrophobicContact CD-CE2 3.86Å; K173-F251 HydrophobicContact CD-CG 3.91Å; K173-F251 HydrophobicContact CD-CZ 4.02Å; K173-F251 HydrophobicContact CG-CB 4.06Å; K173-F251 HydrophobicContact CG-CD1 4.18Å; K173-F251 HydrophobicContact CG-CD2 4.02Å; K173-F251 HydrophobicContact CG-CG 3.82Å; K173-R252 VanDerWaalsContact O-CB 3.29Å; K173-R252 WeakPolarHBondContact O-CB 3.43Å; K173-R252 PolarHBondContact O-N 3.34Å; K173-P255 HydrophobicContact CD-CG 3.97Å; K173-P255 HydrophobicContact CG-CG 3.61Å; K173-N340 PolarHBondContact NZ-OD1 3.02Å
174H95.1Very high95.9Very high6 Ų652.6 Ų52.63%0.02827%0.27CS..Hα-helixtrans-133.613.8-164.7-52118.9000114.2D170 S176 Y177 V178 L209 E211 F251D170-H174 CarbonylContact O-C 3.51Å; D170-H174 WeakPolarHBondContact O-CA 3.49Å; D170-H174 PolarHBondContact O-N 3.48Å; D170-H174 IonicContact OD1-CE1 2.87Å; D170-H174 IonicContact OD1-CG 2.76Å; D170-H174 IonicContact OD1-ND1 3.94Å; D170-H174 PolarHBondContact OD1-ND1 2.85Å; H174-S176 PolarHBondContact O-N 2.9Å; H174-Y177 WeakPolarHBondContact O-CB 3.49Å; H174-Y177 PolarHBondContact O-N 2.8Å; H174-Y177 VanDerWaalsContact O-N 3.08Å; H174-V178 HydrophobicContact CB-CG2 3.9Å; H174-L209 PolarHBondContact CE1-O 2.9Å; H174-L209 VanDerWaalsContact CE1-O 3.25Å; H174-E211 PolarHBondContact NE2-O 3.49Å; H174-E211 VanDerWaalsContact NE2-O 3.14Å; H174-F251 AromaticContact NE2-CD1 3.54Å; H174-F251 AromaticContact NE2-CE1 3.85Å
175R94.7Very high95.9Very high130 Ų13056.4 Ų56.449%0.49127%0.273SS..THydrogen-bonded Turntrans56.735-173.8-46-167.5176.9173.7-0.9112.6D170 A171 Y177 D219 R252D170-R175 PolarHBondContact O-N 3.43Å; A171-R175 VanDerWaalsContact O-CA 3.3Å; A171-R175 WeakPolarHBondContact O-CA 3.24Å; A171-R175 PolarHBondContact O-N 2.91Å; A171-R175 VanDerWaalsContact O-N 3.14Å; R175-Y177 PolarHBondContact O-N 3.18Å; R175-Y177 VanDerWaalsContact O-N 3.17Å; R175-D219 IonicContact CZ-OD2 3.83Å; R175-D219 IonicContact NH1-OD2 3.21Å; R175-D219 PolarHBondContact NH1-OD2 3.23Å; R175-D219 IonicContact NH2-OD2 2.74Å; R175-D219 PolarHBondContact NH2-OD2 3.29Å; R175-R252 VanDerWaalsContact NE-CZ 3.25Å; R175-R252 VanDerWaalsContact NE-NH1 3.15Å
176S94.2Very high95.9Very high32 Ų3257 Ų5722%0.22428%0.276CS..THydrogen-bonded Turntrans63.813.3-177.1-51.30000114.3D170 A171 H174 N180D170-S176 PolarHBondContact O-N 3.34Å; D170-S176 WeakPolarHBondContact OD2-CA 3.32Å; A171-S176 WeakPolarHBondContact CA-OG 3.41Å; A171-S176 WeakPolarHBondContact CB-OG 3.38Å; H174-S176 PolarHBondContact O-N 2.9Å; S176-N180 VanDerWaalsContact O-CB 3.22Å; S176-N180 WeakPolarHBondContact O-CB 3.47Å; S176-N180 PolarHBondContact O-N 2.81Å; S176-N180 PolarHBondContact O-ND2 2.86Å
177Y95.2Very high95.8Very high147 Ų14758.8 Ų58.858%0.57629%0.285SS*.Hα-helixtrans-64.6-46.4-176.9177-99.3000112.1H174 R175 Q181H174-Y177 WeakPolarHBondContact O-CB 3.49Å; H174-Y177 PolarHBondContact O-N 2.8Å; H174-Y177 VanDerWaalsContact O-N 3.08Å; R175-Y177 PolarHBondContact O-N 3.18Å; R175-Y177 VanDerWaalsContact O-N 3.17Å; Y177-Q181 WeakPolarHBondContact O-CG 3.48Å; Y177-Q181 PolarHBondContact O-N 3.16Å; Y177-Q181 PolarHBondContact OH-NE2 2.71Å
178V94.9Very high95.7Very high25 Ų2560.2 Ų60.215%0.15229%0.287CS..Hα-helixtrans-71.6-46.4-173.5-177.90000110.3D170 H174 N180 Q181 M182 K208 L209D170-V178 PolarHBondContact OD2-N 2.87Å; H174-V178 HydrophobicContact CB-CG2 3.9Å; V178-N180 VanDerWaalsContact C-N 3.28Å; V178-N180 PolarHBondContact O-N 2.91Å; V178-Q181 PolarHBondContact O-N 2.79Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; V178-M182 HydrophobicContact CG1-CE 4.05Å; V178-M182 PolarHBondContact O-N 3.19Å; V178-K208 HydrophobicContact CG1-CB 4.21Å; V178-L209 HydrophobicContact CB-CD2 4.1Å; V178-L209 HydrophobicContact CG1-CD2 3.77Å; V178-L209 HydrophobicContact CG1-CG 4.39Å
179I94.5Very high95.7Very high5 Ų560.1 Ų60.13%0.02629%0.287CS..Hα-helixtrans-64.8-33.2-179.2-163.561.1000112.1I166 K167 D170 Q181 M182 L209I166-I179 HydrophobicContact CG2-CD1 3.77Å; I166-I179 HydrophobicContact CG2-CG1 4.46Å; K167-I179 HydrophobicContact CG-CG1 3.92Å; K167-I179 HydrophobicContact CG-CG2 4.47Å; D170-I179 HydrophobicContact CB-CB 3.99Å; D170-I179 HydrophobicContact CB-CG2 3.96Å; D170-I179 WeakPolarHBondContact OD2-CB 3.4Å; D170-I179 VanDerWaalsContact OD2-CG2 3.26Å; D170-I179 WeakPolarHBondContact OD2-CG2 3.24Å; D170-I179 PolarHBondContact OD2-N 3.4Å; I179-Q181 VanDerWaalsContact C-N 3.3Å; I179-Q181 PolarHBondContact O-N 3.19Å; I179-M182 HydrophobicContact CD1-SD 3.94Å; I179-M182 WeakPolarHBondContact O-CB 3.38Å; I179-M182 PolarHBondContact O-N 2.82Å; I179-L209 HydrophobicContact CB-CD2 4.41Å; I179-L209 HydrophobicContact CD1-CD2 4.38Å
180N94.7Very high95.6Very high127 Ų12760.1 Ų60.168%0.67929%0.287SS*.Hα-helixtrans-75.1-18.3178.3-72.8-22.8000113.4S176 V178S176-N180 VanDerWaalsContact O-CB 3.22Å; S176-N180 WeakPolarHBondContact O-CB 3.47Å; S176-N180 PolarHBondContact O-N 2.81Å; S176-N180 PolarHBondContact O-ND2 2.86Å; V178-N180 VanDerWaalsContact C-N 3.28Å; V178-N180 PolarHBondContact O-N 2.91Å
181Q94.8Very high95.6Very high121 Ų12160.5 Ų60.557%0.56529%0.288SS*.Hα-helixtrans-85-14.8172.7-71.2-1711.100113.4Y177 V178 I179Y177-Q181 WeakPolarHBondContact O-CG 3.48Å; Y177-Q181 PolarHBondContact O-N 3.16Å; Y177-Q181 PolarHBondContact OH-NE2 2.71Å; V178-Q181 PolarHBondContact O-N 2.79Å; V178-Q181 VanDerWaalsContact O-N 3.16Å; I179-Q181 VanDerWaalsContact C-N 3.3Å; I179-Q181 PolarHBondContact O-N 3.19Å
182M94.4Very high95.6Very high21 Ų2161.4 Ų61.410%0.10329%0.287CS..SBendtrans-73.4144.5177.4-68.7-170176.600111.4V178 I179 D186 L190 I205 K208 L209V178-M182 HydrophobicContact CG1-CE 4.05Å; V178-M182 PolarHBondContact O-N 3.19Å; I179-M182 HydrophobicContact CD1-SD 3.94Å; I179-M182 WeakPolarHBondContact O-CB 3.38Å; I179-M182 PolarHBondContact O-N 2.82Å; M182-D186 HydrophobicContact CB-CB 4.07Å; M182-D186 HydrophobicContact CG-CB 4.4Å; M182-D186 HydrophobicContact SD-CB 4.44Å; M182-L190 HydrophobicContact SD-CD1 4.3Å; M182-I205 HydrophobicContact CE-CG2 3.72Å; M182-I205 HydrophobicContact SD-CG2 3.83Å; M182-K208 HydrophobicContact CE-CB 4.05Å; M182-K208 HydrophobicContact CE-CD 4.4Å; M182-L209 HydrophobicContact CE-CD1 4.01Å; M182-L209 HydrophobicContact CE-CD2 3.87Å; M182-L209 HydrophobicContact CE-CG 3.58Å
183Q95Very high95.6Very high107 Ų10760 Ų6050%0.528%0.28SS..  trans-88.3162.1175.1-65.8-177.5-10.200110.7R185 D186 H187Q183-R185 HydrophobicContact CB-CG 3.99Å; Q183-R185 PolarHBondContact O-N 2.92Å; Q183-D186 PolarHBondContact N-OD2 3.47Å; Q183-D186 WeakPolarHBondContact O-CA 3.19Å; Q183-D186 WeakPolarHBondContact O-CB 3.31Å; Q183-D186 PolarHBondContact O-N 2.73Å; Q183-H187 PolarHBondContact O-N 3.36Å
184A94.6Very high95.7Very high67 Ų6760 Ų6055%0.55428%0.28SS*.Hα-helixtrans-57.5-23.4176.100000114R188A184-R188 WeakPolarHBondContact O-CG 3.37Å; A184-R188 PolarHBondContact O-N 3.41Å; A184-R188 PolarHBondContact O-NE 3.49Å
185R96.3Very high95.7Very high151 Ų15161.1 Ų61.157%0.5729%0.286SS*.Hα-helixtrans-68.8-35.2171.869180-177.4-171.2-7.9112.4Q183 R188 Q189Q183-R185 HydrophobicContact CB-CG 3.99Å; Q183-R185 PolarHBondContact O-N 2.92Å; R185-R188 PolarHBondContact O-N 3.38Å; R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 PolarHBondContact O-N 2.9Å
186D96.6Very high95.8Very high17 Ų1759.9 Ų59.99%0.09129%0.286CS..Hα-helixtrans-72.6-41.2-177.9-56.5-39000109.7M182 Q183 R188 Q189 L190 I205M182-D186 HydrophobicContact CB-CB 4.07Å; M182-D186 HydrophobicContact CG-CB 4.4Å; M182-D186 HydrophobicContact SD-CB 4.44Å; Q183-D186 PolarHBondContact N-OD2 3.47Å; Q183-D186 WeakPolarHBondContact O-CA 3.19Å; Q183-D186 WeakPolarHBondContact O-CB 3.31Å; Q183-D186 PolarHBondContact O-N 2.73Å; D186-R188 PolarHBondContact O-N 2.85Å; D186-Q189 PolarHBondContact O-N 3.34Å; D186-Q189 VanDerWaalsContact O-N 3.15Å; D186-L190 PolarHBondContact O-N 2.89Å; D186-I205 HydrophobicContact CB-CD1 4.4Å; D186-I205 HydrophobicContact CB-CG2 4.11Å
187H96Very high95.8Very high39 Ų3961.4 Ų61.418%0.18129%0.289CS..Hα-helixtrans-59.6-45.6172.5-60.5167.1000111.9L163 Q183 Q189 L190 W191L163-H187 HydrophobicContact CD2-CB 4.18Å; Q183-H187 PolarHBondContact O-N 3.36Å; H187-Q189 VanDerWaalsContact C-N 3.29Å; H187-Q189 PolarHBondContact O-N 2.82Å; H187-L190 PolarHBondContact O-N 3.38Å; H187-W191 PolarHBondContact O-N 2.82Å
188R95.9Very high95.9Very high139 Ų13961.5 Ų61.553%0.52529%0.288SS..Hα-helixtrans-63.1-35.7174.9-75.3-176.4-71.1171-2.7112.1A184 R185 D186 W191 N192A184-R188 WeakPolarHBondContact O-CG 3.37Å; A184-R188 PolarHBondContact O-N 3.41Å; A184-R188 PolarHBondContact O-NE 3.49Å; R185-R188 PolarHBondContact O-N 3.38Å; D186-R188 PolarHBondContact O-N 2.85Å; R188-W191 PolarHBondContact O-N 3.15Å; R188-N192 VanDerWaalsContact O-CB 3.24Å; R188-N192 WeakPolarHBondContact O-CB 3.14Å; R188-N192 PolarHBondContact O-N 2.92Å; R188-N192 PolarHBondContact O-ND2 3.47Å; R188-N192 VanDerWaalsContact O-ND2 3.15Å
189Q96.8Very high96Very high61 Ų6161.8 Ų61.829%0.28529%0.287SS..Hα-helixtrans-69.9-41.6178-177.7168.2-13.100112.3R185 D186 H187 G193 Q201 S204 I205R185-Q189 WeakPolarHBondContact O-CB 3.49Å; R185-Q189 PolarHBondContact O-N 2.9Å; D186-Q189 PolarHBondContact O-N 3.34Å; D186-Q189 VanDerWaalsContact O-N 3.15Å; H187-Q189 VanDerWaalsContact C-N 3.29Å; H187-Q189 PolarHBondContact O-N 2.82Å; Q189-G193 PolarHBondContact O-N 3.42Å; Q189-Q201 HydrophobicContact CG-CG 3.71Å; Q189-S204 PolarHBondContact NE2-OG 3Å; Q189-I205 HydrophobicContact CB-CG1 4.17Å; Q189-I205 HydrophobicContact CG-CG1 3.89Å
190L96.7Very high96.1Very high0 Ų067.6 Ų67.60%032%0.317CS..Hα-helixtrans-56.4-51.5170.4-76.7167.5000110.5I166 M182 D186 H187 G193 L194 F202 I205 N206 L209I166-L190 HydrophobicContact CD1-CD1 4.35Å; M182-L190 HydrophobicContact SD-CD1 4.3Å; D186-L190 PolarHBondContact O-N 2.89Å; H187-L190 PolarHBondContact O-N 3.38Å; L190-G193 PolarHBondContact O-N 2.86Å; L190-L194 PolarHBondContact O-N 3.19Å; L190-L194 VanDerWaalsContact O-N 3.1Å; L190-F202 HydrophobicContact CB-CE2 4.44Å; L190-F202 HydrophobicContact CD2-CD2 3.93Å; L190-F202 HydrophobicContact CD2-CE2 3.65Å; L190-F202 HydrophobicContact CD2-CZ 4.19Å; L190-F202 WeakPolarHBondContact O-CD2 3.35Å; L190-I205 HydrophobicContact CD1-CG2 3.76Å; L190-I205 HydrophobicContact CD2-CB 3.74Å; L190-I205 HydrophobicContact CD2-CG2 3.87Å; L190-I205 HydrophobicContact CG-CB 3.83Å; L190-I205 HydrophobicContact CG-CG2 3.59Å; L190-N206 HydrophobicContact CD2-CB 3.91Å; L190-L209 HydrophobicContact CD1-CD1 4.16Å
191W97.2Very high96.2Very high8 Ų863.8 Ų63.83%0.0330%0.295CS..Hα-helixtrans-59.7-50.3179.4174.7-125.4000112.8L48 R155 V158 E159 F162 H187 R188 G193 L194 L195L48-W191 HydrophobicContact CD1-CH2 3.74Å; L48-W191 HydrophobicContact CD1-CZ3 4.01Å; L48-W191 HydrophobicContact CD2-CH2 3.59Å; L48-W191 HydrophobicContact CD2-CZ2 3.98Å; L48-W191 HydrophobicContact CG-CH2 4.29Å; R155-W191 HydrophobicContact CG-CZ2 3.73Å; V158-W191 HydrophobicContact CB-CH2 4.1Å; V158-W191 HydrophobicContact CG1-CH2 3.88Å; V158-W191 HydrophobicContact CG1-CZ3 4.22Å; E159-W191 HydrophobicContact CB-CD2 3.98Å; E159-W191 HydrophobicContact CB-CE3 4.24Å; E159-W191 HydrophobicContact CB-CH2 3.85Å; E159-W191 HydrophobicContact CB-CZ2 3.58Å; E159-W191 HydrophobicContact CB-CZ3 4.18Å; E159-W191 VanDerWaalsContact CD-NE1 3.3Å; E159-W191 HydrophobicContact CG-CD2 3.7Å; E159-W191 HydrophobicContact CG-CE3 4.2Å; E159-W191 HydrophobicContact CG-CG 3.84Å; E159-W191 HydrophobicContact CG-CZ2 4.2Å; E159-W191 PolarHBondContact OE2-NE1 2.82Å; F162-W191 HydrophobicContact CB-CZ3 4.21Å; F162-W191 AromaticContact CD1-CE3 3.73Å; F162-W191 HydrophobicContact CD1-CE3 3.73Å; F162-W191 HydrophobicContact CD1-CZ3 4.2Å; F162-W191 HydrophobicContact CE1-CE3 4.28Å; F162-W191 HydrophobicContact CG-CE3 4.3Å; F162-W191 HydrophobicContact CG-CZ3 4.32Å; H187-W191 PolarHBondContact O-N 2.82Å; R188-W191 PolarHBondContact O-N 3.15Å; W191-G193 VanDerWaalsContact C-N 3.26Å; W191-G193 PolarHBondContact O-N 3.16Å; W191-L194 HydrophobicContact CE3-CD2 4.39Å; W191-L194 HydrophobicContact CZ3-CD2 4.18Å; W191-L194 PolarHBondContact O-N 3.45Å; W191-L194 VanDerWaalsContact O-N 3.11Å; W191-L195 HydrophobicContact CZ2-CD1 4.41Å; W191-L195 WeakPolarHBondContact O-CB 3.26Å; W191-L195 PolarHBondContact O-N 3.07Å
192N97.1Very high96.3Very high57 Ų5758 Ų5831%0.30527%0.269SS..Hα-helixtrans-62.8-33.6178.5-74.4-27.8000112.4R188 H196R188-N192 VanDerWaalsContact O-CB 3.24Å; R188-N192 WeakPolarHBondContact O-CB 3.14Å; R188-N192 PolarHBondContact O-N 2.92Å; R188-N192 PolarHBondContact O-ND2 3.47Å; R188-N192 VanDerWaalsContact O-ND2 3.15Å; N192-H196 WeakPolarHBondContact O-CB 3.32Å; N192-H196 PolarHBondContact O-CD2 3.15Å; N192-H196 PolarHBondContact O-N 3.17Å
193G97.5Very high96.4Very high0 Ų058.9 Ų58.90%027%0.271CS..Hα-helixtrans-59.3-46.7172.400000111.8Q189 L190 W191 F197 R198Q189-G193 PolarHBondContact O-N 3.42Å; L190-G193 PolarHBondContact O-N 2.86Å; W191-G193 VanDerWaalsContact C-N 3.26Å; W191-G193 PolarHBondContact O-N 3.16Å; G193-F197 CarbonylContact O-C 3.58Å; G193-F197 WeakPolarHBondContact O-CA 3.46Å; G193-F197 PolarHBondContact O-N 3.25Å; G193-F197 VanDerWaalsContact O-N 3.09Å; G193-R198 PolarHBondContact O-N 2.98Å
194L97Very high96.5Very high1 Ų156.6 Ų56.61%0.00527%0.267CS..Hα-helixtrans-68.1-51.6175-179.562.4000112.2W11 Y45 F162 L190 W191 H196 F197 P338W11-L194 HydrophobicContact CH2-CD1 4.46Å; Y45-L194 HydrophobicContact CD2-CD2 4.29Å; Y45-L194 HydrophobicContact CE2-CD2 4.04Å; F162-L194 HydrophobicContact CD1-CD2 4.38Å; F162-L194 HydrophobicContact CD2-CD2 3.76Å; F162-L194 HydrophobicContact CE1-CD2 4.24Å; F162-L194 HydrophobicContact CE2-CD2 3.6Å; F162-L194 HydrophobicContact CG-CD2 4.12Å; F162-L194 HydrophobicContact CZ-CD2 3.84Å; L190-L194 PolarHBondContact O-N 3.19Å; L190-L194 VanDerWaalsContact O-N 3.1Å; W191-L194 HydrophobicContact CE3-CD2 4.39Å; W191-L194 HydrophobicContact CZ3-CD2 4.18Å; W191-L194 PolarHBondContact O-N 3.45Å; W191-L194 VanDerWaalsContact O-N 3.11Å; L194-H196 VanDerWaalsContact C-N 3.31Å; L194-H196 PolarHBondContact O-N 3.3Å; L194-F197 PolarHBondContact O-N 3.45Å; L194-P338 HydrophobicContact CD1-CB 4.11Å; L194-P338 HydrophobicContact CD1-CG 3.95Å
195L95.9Very high96.6Very high29 Ų2953.9 Ų53.915%0.15224%0.243CC..Hα-helixtrans-56.8-42.1-176.4178.264.4000112.4L48 R155 W191L48-L195 HydrophobicContact CD2-CD1 4.06Å; R155-L195 HydrophobicContact CG-CD1 4.47Å; W191-L195 HydrophobicContact CZ2-CD1 4.41Å; W191-L195 WeakPolarHBondContact O-CB 3.26Å; W191-L195 PolarHBondContact O-N 3.07Å
196H95.8Very high96.6Very high104 Ų10446.7 Ų46.748%0.48122%0.216SC..THydrogen-bonded Turntrans-997.9179.8-58.7-53.1000113.4N192 L194 R198N192-H196 WeakPolarHBondContact O-CB 3.32Å; N192-H196 PolarHBondContact O-CD2 3.15Å; N192-H196 PolarHBondContact O-N 3.17Å; L194-H196 VanDerWaalsContact C-N 3.31Å; L194-H196 PolarHBondContact O-N 3.3Å; H196-R198 VanDerWaalsContact C-N 3.26Å; H196-R198 HydrophobicContact CB-CG 4.19Å; H196-R198 PolarHBondContact O-N 2.91Å
197F95.8Very high96.5Very high64 Ų6448.8 Ų48.828%0.28123%0.232SC..THydrogen-bonded Turntrans55.236.7178.4-157.9-114.3000114.1W11 P41 V43 G193 L194W11-F197 AromaticContact CD1-CE2 3.95Å; W11-F197 AromaticContact CD1-CZ 3.8Å; W11-F197 AromaticContact CE2-CD2 4Å; W11-F197 HydrophobicContact CZ2-CD2 4.19Å; W11-F197 AromaticContact NE1-CD1 3.97Å; W11-F197 AromaticContact NE1-CD2 3.69Å; W11-F197 AromaticContact NE1-CE1 3.95Å; W11-F197 AromaticContact NE1-CE2 3.65Å; W11-F197 AromaticContact NE1-CG 3.87Å; W11-F197 AromaticContact NE1-CZ 3.81Å; W11-F197 PolarHBondContact NE1-O 3.41Å; W11-F197 WeakPolarHBondContact O-CE2 3.33Å; W11-F197 WeakPolarHBondContact O-CZ 3.34Å; P41-F197 HydrophobicContact CB-CD2 4Å; P41-F197 HydrophobicContact CB-CE2 3.38Å; P41-F197 HydrophobicContact CB-CZ 3.75Å; P41-F197 HydrophobicContact CG-CD2 4.44Å; P41-F197 HydrophobicContact CG-CE2 4.29Å; V43-F197 HydrophobicContact CG2-CE2 3.77Å; G193-F197 CarbonylContact O-C 3.58Å; G193-F197 WeakPolarHBondContact O-CA 3.46Å; G193-F197 PolarHBondContact O-N 3.25Å; G193-F197 VanDerWaalsContact O-N 3.09Å; L194-F197 PolarHBondContact O-N 3.45Å
198R97Very high96.5Very high148 Ų14851.8 Ų51.856%0.55824%0.244SC*.  trans-95.998.1-179.6-69.4177.5179.2-179.22.6111.1G193 H196 D200 Q201 F202G193-R198 PolarHBondContact O-N 2.98Å; H196-R198 VanDerWaalsContact C-N 3.26Å; H196-R198 HydrophobicContact CB-CG 4.19Å; H196-R198 PolarHBondContact O-N 2.91Å; R198-D200 PolarHBondContact O-N 3.25Å; R198-Q201 HydrophobicContact CB-CB 3.87Å; R198-Q201 PolarHBondContact O-N 3.44Å; R198-F202 PolarHBondContact O-N 3.15Å; R198-F202 VanDerWaalsContact O-N 3.1Å
199Y96.7Very high96.5Very high32 Ų3245.2 Ų45.213%0.12522%0.219CC..Hα-helixtrans-52.5-56-177.6175.5-96.2000113.5L7 K8 W11 Q201 F202 W203L7-Y199 HydrophobicContact CB-CE2 4.27Å; L7-Y199 WeakPolarHBondContact CB-OH 3.3Å; K8-Y199 HydrophobicContact CB-CE2 4.18Å; W11-Y199 HydrophobicContact CB-CD2 3.75Å; W11-Y199 HydrophobicContact CB-CE2 4.24Å; W11-Y199 HydrophobicContact CD2-CD2 4Å; W11-Y199 HydrophobicContact CE3-CD2 4.49Å; W11-Y199 AromaticContact CG-CD2 3.65Å; W11-Y199 HydrophobicContact CG-CD2 3.65Å; W11-Y199 HydrophobicContact CG-CG 4.45Å; Y199-Q201 VanDerWaalsContact C-N 3.31Å; Y199-Q201 PolarHBondContact O-N 3.48Å; Y199-F202 PolarHBondContact O-N 2.84Å; Y199-W203 AromaticContact CD2-CD1 3.38Å; Y199-W203 AromaticContact CD2-NE1 3.77Å; Y199-W203 AromaticContact CE2-CD1 3.11Å; Y199-W203 HydrophobicContact CE2-CG 4.05Å; Y199-W203 AromaticContact CE2-NE1 3.31Å; Y199-W203 VanDerWaalsContact CE2-NE1 3.31Å; Y199-W203 AromaticContact CZ-CD1 3.58Å; Y199-W203 PolarHBondContact O-N 3.28Å
200D96.3Very high96.4Very high126 Ų12643 Ų4367%0.67421%0.209SC*.Hα-helixtrans-64.4-37.9-174.7-59.1-49.9000111.9R198 F202 S204R198-D200 PolarHBondContact O-N 3.25Å; D200-F202 VanDerWaalsContact C-N 3.35Å; D200-F202 PolarHBondContact O-N 3.49Å; D200-S204 VanDerWaalsContact O-CB 3.26Å; D200-S204 WeakPolarHBondContact O-CB 3.36Å; D200-S204 PolarHBondContact O-N 3.05Å; D200-S204 PolarHBondContact O-OG 3.38Å
201Q96.9Very high96.2Very high47 Ų4748.6 Ų48.622%0.2224%0.235CC..Hα-helixtrans-62.3-44176.8-177.1173.71.500111.1Q189 R198 Y199 S204Q189-Q201 HydrophobicContact CG-CG 3.71Å; R198-Q201 HydrophobicContact CB-CB 3.87Å; R198-Q201 PolarHBondContact O-N 3.44Å; Y199-Q201 VanDerWaalsContact C-N 3.31Å; Y199-Q201 PolarHBondContact O-N 3.48Å; Q201-S204 PolarHBondContact O-OG 3.3Å
202F97.7Very high95.8Very high1 Ų149.4 Ų49.40%0.00424%0.242CC..Hα-helixtrans-65.4-53.4177.4-179.6-97.9000111.9W11 F162 L190 R198 Y199 D200 S204 I205 N206 P338W11-F202 HydrophobicContact CE3-CD1 4.19Å; W11-F202 HydrophobicContact CH2-CB 3.56Å; W11-F202 AromaticContact CH2-CD1 3.97Å; W11-F202 HydrophobicContact CH2-CD1 3.97Å; W11-F202 HydrophobicContact CH2-CD2 4.1Å; W11-F202 AromaticContact CH2-CG 3.58Å; W11-F202 HydrophobicContact CH2-CG 3.58Å; W11-F202 HydrophobicContact CZ2-CB 4.34Å; W11-F202 HydrophobicContact CZ3-CB 3.9Å; W11-F202 AromaticContact CZ3-CD1 3.39Å; W11-F202 HydrophobicContact CZ3-CD1 3.39Å; W11-F202 HydrophobicContact CZ3-CD2 4.15Å; W11-F202 AromaticContact CZ3-CE1 3.95Å; W11-F202 HydrophobicContact CZ3-CE1 3.95Å; W11-F202 AromaticContact CZ3-CG 3.51Å; W11-F202 HydrophobicContact CZ3-CG 3.51Å; F162-F202 AromaticContact CZ-CE2 3.99Å; F162-F202 HydrophobicContact CZ-CE2 3.99Å; L190-F202 HydrophobicContact CB-CE2 4.44Å; L190-F202 HydrophobicContact CD2-CD2 3.93Å; L190-F202 HydrophobicContact CD2-CE2 3.65Å; L190-F202 HydrophobicContact CD2-CZ 4.19Å; L190-F202 WeakPolarHBondContact O-CD2 3.35Å; R198-F202 PolarHBondContact O-N 3.15Å; R198-F202 VanDerWaalsContact O-N 3.1Å; Y199-F202 PolarHBondContact O-N 2.84Å; D200-F202 VanDerWaalsContact C-N 3.35Å; D200-F202 PolarHBondContact O-N 3.49Å; F202-S204 VanDerWaalsContact C-N 3.31Å; F202-S204 PolarHBondContact O-N 3.17Å; F202-I205 PolarHBondContact O-N 3.33Å; F202-I205 VanDerWaalsContact O-N 3.16Å; F202-N206 HydrophobicContact CD1-CB 3.95Å; F202-N206 HydrophobicContact CE1-CB 3.49Å; F202-N206 VanDerWaalsContact CE1-CB 3.49Å; F202-N206 VanDerWaalsContact CE1-CG 3.48Å; F202-N206 HydrophobicContact CZ-CB 3.81Å; F202-N206 PolarHBondContact O-N 3.11Å; F202-P338 HydrophobicContact CE1-CB 4.17Å; F202-P338 HydrophobicContact CE2-CB 3.99Å; F202-P338 HydrophobicContact CZ-CB 3.62Å; F202-P338 WeakPolarHBondContact CZ-O 3.28Å
203W96.3Very high95.3Very high39 Ų3949.7 Ų49.715%0.14824%0.243CC..Hα-helixtrans-71.6-21.6-174.5-83100.9000114.4L7 Y199 I205 N206 S207 M210L7-W203 HydrophobicContact CD1-CE3 4.44Å; L7-W203 HydrophobicContact CD1-CH2 4.13Å; L7-W203 HydrophobicContact CD1-CZ2 4.29Å; L7-W203 HydrophobicContact CD1-CZ3 4.21Å; L7-W203 HydrophobicContact CD2-CH2 3.54Å; L7-W203 HydrophobicContact CD2-CZ2 3.5Å; L7-W203 VanDerWaalsContact CD2-CZ2 3.5Å; L7-W203 HydrophobicContact CD2-CZ3 4.4Å; L7-W203 HydrophobicContact CG-CH2 4.44Å; L7-W203 HydrophobicContact CG-CZ2 4.33Å; Y199-W203 AromaticContact CD2-CD1 3.38Å; Y199-W203 AromaticContact CD2-NE1 3.77Å; Y199-W203 AromaticContact CE2-CD1 3.11Å; Y199-W203 HydrophobicContact CE2-CG 4.05Å; Y199-W203 AromaticContact CE2-NE1 3.31Å; Y199-W203 VanDerWaalsContact CE2-NE1 3.31Å; Y199-W203 AromaticContact CZ-CD1 3.58Å; Y199-W203 PolarHBondContact O-N 3.28Å; W203-I205 PolarHBondContact O-N 3.25Å; W203-N206 HydrophobicContact CD2-CB 4.4Å; W203-N206 HydrophobicContact CE3-CB 4.08Å; W203-N206 VanDerWaalsContact CH2-ND2 3.35Å; W203-N206 WeakPolarHBondContact CH2-ND2 3.08Å; W203-N206 HydrophobicContact CZ3-CB 4.42Å; W203-N206 VanDerWaalsContact CZ3-ND2 3.33Å; W203-N206 WeakPolarHBondContact CZ3-ND2 3.22Å; W203-S207 VanDerWaalsContact O-CB 3.24Å; W203-S207 WeakPolarHBondContact O-CB 3.47Å; W203-S207 PolarHBondContact O-N 3.38Å; W203-S207 PolarHBondContact O-OG 2.98Å; W203-M210 HydrophobicContact CH2-CG 4.18Å; W203-M210 HydrophobicContact CZ3-CB 4.5Å; W203-M210 HydrophobicContact CZ3-CG 3.92Å
204S95.9Very high94.1Very high59 Ų5954.1 Ų54.141%0.41327%0.271SS..Hα-helixtrans-58.1-26170.569.30000113.4Q189 D200 Q201 F202Q189-S204 PolarHBondContact NE2-OG 3Å; D200-S204 VanDerWaalsContact O-CB 3.26Å; D200-S204 WeakPolarHBondContact O-CB 3.36Å; D200-S204 PolarHBondContact O-N 3.05Å; D200-S204 PolarHBondContact O-OG 3.38Å; Q201-S204 PolarHBondContact O-OG 3.3Å; F202-S204 VanDerWaalsContact C-N 3.31Å; F202-S204 PolarHBondContact O-N 3.17Å
205I96.8Very high92.3Very high9 Ų958 Ų585%0.04629%0.289CS..Hα-helixtrans-104-44.8175-52.5-58000110.9M182 D186 Q189 L190 F202 W203 S207 K208M182-I205 HydrophobicContact CE-CG2 3.72Å; M182-I205 HydrophobicContact SD-CG2 3.83Å; D186-I205 HydrophobicContact CB-CD1 4.4Å; D186-I205 HydrophobicContact CB-CG2 4.11Å; Q189-I205 HydrophobicContact CB-CG1 4.17Å; Q189-I205 HydrophobicContact CG-CG1 3.89Å; L190-I205 HydrophobicContact CD1-CG2 3.76Å; L190-I205 HydrophobicContact CD2-CB 3.74Å; L190-I205 HydrophobicContact CD2-CG2 3.87Å; L190-I205 HydrophobicContact CG-CB 3.83Å; L190-I205 HydrophobicContact CG-CG2 3.59Å; F202-I205 PolarHBondContact O-N 3.33Å; F202-I205 VanDerWaalsContact O-N 3.16Å; W203-I205 PolarHBondContact O-N 3.25Å; I205-S207 PolarHBondContact O-N 2.89Å; I205-K208 WeakPolarHBondContact O-CB 3.37Å; I205-K208 PolarHBondContact O-N 2.8Å; I205-K208 VanDerWaalsContact O-N 3.12Å
206N96.9Very high89.7Confident1 Ų163.4 Ų63.41%0.00532%0.319CS..Hα-helixtrans-64-25.7-175.1-163.462.7000113.5L190 F202 W203 K208 L209 M210 N340L190-N206 HydrophobicContact CD2-CB 3.91Å; F202-N206 HydrophobicContact CD1-CB 3.95Å; F202-N206 HydrophobicContact CE1-CB 3.49Å; F202-N206 VanDerWaalsContact CE1-CB 3.49Å; F202-N206 VanDerWaalsContact CE1-CG 3.48Å; F202-N206 HydrophobicContact CZ-CB 3.81Å; F202-N206 PolarHBondContact O-N 3.11Å; W203-N206 HydrophobicContact CD2-CB 4.4Å; W203-N206 HydrophobicContact CE3-CB 4.08Å; W203-N206 VanDerWaalsContact CH2-ND2 3.35Å; W203-N206 WeakPolarHBondContact CH2-ND2 3.08Å; W203-N206 HydrophobicContact CZ3-CB 4.42Å; W203-N206 VanDerWaalsContact CZ3-ND2 3.33Å; W203-N206 WeakPolarHBondContact CZ3-ND2 3.22Å; N206-K208 PolarHBondContact O-N 3.15Å; N206-L209 WeakPolarHBondContact O-CA 3.24Å; N206-L209 WeakPolarHBondContact O-CB 3.33Å; N206-L209 PolarHBondContact O-N 3.45Å; N206-M210 PolarHBondContact O-N 3.22Å; N206-M210 VanDerWaalsContact O-N 3.17Å; N206-N340 PolarHBondContact OD1-ND2 2.71Å; N206-N340 PolarHBondContact OD1-OD1 3.1Å
207S95.3Very high86.9Confident61 Ų6165.1 Ų65.143%0.42734%0.337SS..Hα-helixtrans-54.3-36.7173.448.10000113W203 I205 L209 M210 E211W203-S207 VanDerWaalsContact O-CB 3.24Å; W203-S207 WeakPolarHBondContact O-CB 3.47Å; W203-S207 PolarHBondContact O-N 3.38Å; W203-S207 PolarHBondContact O-OG 2.98Å; I205-S207 PolarHBondContact O-N 2.89Å; S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 3.28Å; S207-M210 PolarHBondContact O-N 2.8Å; S207-M210 VanDerWaalsContact O-N 3.17Å; S207-E211 PolarHBondContact O-N 3.43Å
208K95Very high84.1Confident101 Ų10170.8 Ų70.844%0.43936%0.361SS..Hα-helixtrans-65.8-35.8175.9-59.1177.3-176.4175.70112.2V178 M182 I205 N206 M210 E211V178-K208 HydrophobicContact CG1-CB 4.21Å; M182-K208 HydrophobicContact CE-CB 4.05Å; M182-K208 HydrophobicContact CE-CD 4.4Å; I205-K208 WeakPolarHBondContact O-CB 3.37Å; I205-K208 PolarHBondContact O-N 2.8Å; I205-K208 VanDerWaalsContact O-N 3.12Å; N206-K208 PolarHBondContact O-N 3.15Å; K208-M210 PolarHBondContact O-N 3.45Å; K208-E211 PolarHBondContact O-N 2.9Å
209L95.3Very high81.5Confident1 Ų169 Ų691%0.00536%0.363CS..Hα-helixtrans-75.4-12.9177.2-66.1165.9000112.4I166 D170 K173 H174 V178 I179 M182 L190 N206 S207I166-L209 HydrophobicContact CG2-CD1 3.83Å; D170-L209 HydrophobicContact CB-CD2 4.26Å; K173-L209 WeakPolarHBondContact CE-O 3.34Å; K173-L209 PolarHBondContact NZ-O 3.14Å; H174-L209 PolarHBondContact CE1-O 2.9Å; H174-L209 VanDerWaalsContact CE1-O 3.25Å; V178-L209 HydrophobicContact CB-CD2 4.1Å; V178-L209 HydrophobicContact CG1-CD2 3.77Å; V178-L209 HydrophobicContact CG1-CG 4.39Å; I179-L209 HydrophobicContact CB-CD2 4.41Å; I179-L209 HydrophobicContact CD1-CD2 4.38Å; M182-L209 HydrophobicContact CE-CD1 4.01Å; M182-L209 HydrophobicContact CE-CD2 3.87Å; M182-L209 HydrophobicContact CE-CG 3.58Å; L190-L209 HydrophobicContact CD1-CD1 4.16Å; N206-L209 WeakPolarHBondContact O-CA 3.24Å; N206-L209 WeakPolarHBondContact O-CB 3.33Å; N206-L209 PolarHBondContact O-N 3.45Å; S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 3.28Å
210M95.1Very high78.7Confident15 Ų1574.7 Ų74.77%0.07440%0.395CS..THydrogen-bonded Turntrans-106.62.5177.5-64.6-57.3-165.700112.6K173 W203 N206 S207 K208 P212 F251 N340K173-M210 PolarHBondContact NZ-SD 2.78Å; W203-M210 HydrophobicContact CH2-CG 4.18Å; W203-M210 HydrophobicContact CZ3-CB 4.5Å; W203-M210 HydrophobicContact CZ3-CG 3.92Å; N206-M210 PolarHBondContact O-N 3.22Å; N206-M210 VanDerWaalsContact O-N 3.17Å; S207-M210 PolarHBondContact O-N 2.8Å; S207-M210 VanDerWaalsContact O-N 3.17Å; K208-M210 PolarHBondContact O-N 3.45Å; M210-P212 VanDerWaalsContact O-CD 3.25Å; M210-P212 WeakPolarHBondContact O-CD 3.42Å; M210-F251 WeakPolarHBondContact O-CE1 3.38Å; M210-F251 WeakPolarHBondContact O-CZ 3.3Å; M210-F251 HydrophobicContact SD-CZ 4.27Å; M210-N340 HydrophobicContact CE-CB 4.24Å; M210-N340 WeakPolarHBondContact CE-OD1 3.45Å; M210-N340 PolarHBondContact SD-OD1 3.37Å
211E92.2Very high75.8Confident118 Ų11873.7 Ų73.755%0.55140%0.395SS*.PPolyproline II helixtrans-74.4117.9177.1-171.9171.2-174.400110.4H174 S207 K208H174-E211 PolarHBondContact NE2-O 3.49Å; H174-E211 VanDerWaalsContact NE2-O 3.14Å; S207-E211 PolarHBondContact O-N 3.43Å; K208-E211 PolarHBondContact O-N 2.9Å
212P89.8Confident72.8Confident25 Ų2579.8 Ų79.816%0.16243%0.428CS..PPolyproline II helixtrans-70.8152.7-177.3-17.332.2000112.5M210 R249 F251 E333M210-P212 VanDerWaalsContact O-CD 3.25Å; M210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-R249 VanDerWaalsContact CB-C 3.42Å; P212-R249 HydrophobicContact CB-CB 3.77Å; P212-R249 WeakPolarHBondContact CB-O 3.21Å; P212-R249 HydrophobicContact CG-CB 4.48Å; P212-F251 HydrophobicContact CB-CD1 4.34Å; P212-F251 HydrophobicContact CB-CE1 4.27Å; P212-F251 HydrophobicContact CG-CE1 4.17Å; P212-E333 VanDerWaalsContact CG-OE1 3.28Å; P212-E333 WeakPolarHBondContact CG-OE1 3.26Å
213L85.7Confident70Confident63 Ų6389 Ų8933%0.3347%0.471SS..BIsolated β-bridgetrans-67.9139-177.1-66.8166.7000111Q215 T250 R252L213-Q215 PolarHBondContact O-N 2.94Å; L213-T250 PolarHBondContact N-O 3.1Å; L213-R252 HydrophobicContact CD1-CB 4.23Å
214P73.9Confident67Low92 Ų9295.5 Ų95.560%0.59750%0.503SS*.PPolyproline II helixtrans-64.8122.7162.127.2-30000107.8N216P214-N216 PolarHBondContact O-N 3.32Å
215Q58.5Low64Low82 Ų82100.6 Ų100.638%0.38352%0.523SS..  trans-60.698.2176.2-76-174.8-13.100110.1L213 C248 L280L213-Q215 PolarHBondContact O-N 2.94Å; Q215-C248 PolarHBondContact NE2-O 3.09Å; Q215-L280 VanDerWaalsContact NE2-CD1 3.31Å
216N41.5Very low61Low144 Ų144106 Ų10677%0.7756%0.561SS**  trans-98.5101.6154.1-81.8-20.2000106P214 K218P214-N216 PolarHBondContact O-N 3.32Å; N216-K218 PolarHBondContact O-N 2.86Å
217T36.2Very low57.9Low140 Ų140110.5 Ų110.586%0.85960%0.598SS**  trans-59.579.916727.30000110
218K37.4Very low55.1Low182 Ų182112.8 Ų112.879%0.79161%0.614SS**  trans-140.894.7154.6-70.7-170.8179-175.30103.7N216N216-K218 PolarHBondContact O-N 2.86Å
219D42.6Very low52.4Low111 Ų111116.9 Ų116.959%0.59464%0.635SS**  trans157.679151.1-74.4-12.8000110.9R175R175-D219 IonicContact CZ-OD2 3.83Å; R175-D219 IonicContact NH1-OD2 3.21Å; R175-D219 PolarHBondContact NH1-OD2 3.23Å; R175-D219 IonicContact NH2-OD2 2.74Å; R175-D219 PolarHBondContact NH2-OD2 3.29Å
220L37.9Very low49.7Very low152 Ų152124.5 Ų124.580%0.79667%0.674SS**SBendtrans-152.2125.7147.8-96.8160.1000105.5
221P35.5Very low47Very low104 Ų104128.3 Ų128.368%0.67570%0.7SS**  cis-127.9156.8-26.325.2-4.4000113.1E223P221-E223 PolarHBondContact O-N 3.07Å; P221-E223 VanDerWaalsContact O-N 3.15Å
222L34.1Very low44.3Very low176 Ų176130.2 Ų130.292%0.92171%0.709SS**  trans15.783.9147.4-62163000117
223E37.3Very low42Very low195 Ų195135.3 Ų135.391%0.91174%0.735SS**  trans-140.9146.8152.8-77.2-162.7168.800111.4P221P221-E223 PolarHBondContact O-N 3.07Å; P221-E223 VanDerWaalsContact O-N 3.15Å
224E33.2Very low39.7Very low175 Ų175142 Ų14282%0.81876%0.761SS**  trans-68.4158.5-165.8-69166.9155.800114.4
225M34.4Very low37.7Very low166 Ų166143 Ų14382%0.81877%0.767SS**  trans74.1129144.9-76.117055.400120.3
226S32.6Very low36.5Very low123 Ų123146.9 Ų146.986%0.8679%0.79SS**  trans103.5117.1144.869.90000117.8
227A33.3Very low36.3Very low95 Ų95145.5 Ų145.579%0.78579%0.792SS**  trans-84.9146.9178.600000111.1
228S35.4Very low36.2Very low109 Ų109144.2 Ų144.276%0.76279%0.789SS**  trans139129.116442.20000106.7
229E37.6Very low36Very low187 Ų187140.3 Ų140.387%0.87478%0.784SS**  cis-162.4158.418.7-97.9154.9-17100107.7
230I39Very low35.8Very low160 Ų160142.4 Ų142.482%0.82180%0.795SS**  trans-96.6175.4175.2-42.2167.6000107.2
231P39.8Very low35.7Very low95 Ų95142.7 Ų142.762%0.61780%0.797SS**  cis-134.2-172.7-2621.43.5000114.5
232E35.6Very low35.4Very low158 Ų158144.4 Ų144.474%0.73880%0.8SS**  113.4123.3126.8-102.1171.7-127.600121.3
233N39.8Very low35.1Very low132 Ų132143.2 Ų143.271%0.70679%0.793SS**  trans81.1102.2145.1-60-33.4000122.4
234K38.7Very low34.7Very low204 Ų204139.6 Ų139.689%0.88779%0.789SS**  169.4131.6112.2-102.2175.2174.1173.90113.1
235P31Very low34.9Very low112 Ų112135.7 Ų135.773%0.72778%0.782SS**  trans-99.1174.3161.637-27.2000111.7
236L33.2Very low35.2Very low164 Ų164133.9 Ų133.986%0.85979%0.785SS**  trans97.6104.7171.9-57.4146000115.4
237S38.7Very low36.5Very low116 Ų116135.2 Ų135.281%0.81178%0.776SS**  167.2131.398590000111.1
238S32.7Very low38Very low113 Ų113133.5 Ų133.579%0.7976%0.757SS**  trans-51.1135.6167.2500000114
239S34.5Very low40.5Very low100 Ų100135.8 Ų135.870%0.69975%0.749SS**  167.8127.1127.949.50000111.1
240L38.3Very low43Very low155 Ų155127.4 Ų127.481%0.81271%0.711SS**  trans53.3113.9139.8-64.6154.7000117.6
241D35.3Very low45.7Very low158 Ų158120 Ų12085%0.84567%0.673SS**  trans177.493137.8-81.7-23.4000108.1
242N28.6Very low48.3Very low139 Ų139120 Ų12074%0.74366%0.66SS**  52.6109.797.4-87.9-20.3000115.8
243I28.8Very low51.2Low152 Ų152115 Ų11578%0.77964%0.635SS**  trans68.883.9145.5-50.9163.7000115.3
244S29.1Very low53.9Low118 Ų118108.8 Ų108.883%0.82560%0.602SS**  trans176.3128.1148.4-84.10000113.3
245S36.6Very low56.7Low94 Ų9499 Ų9966%0.65756%0.559SS**  trans68.1101.1171.976.30000117.8K247S245-K247 VanDerWaalsContact C-N 3.27Å; S245-K247 PolarHBondContact O-N 3.31Å
246S41.7Very low59.8Low128 Ų12893.8 Ų93.890%0.89553%0.525SS*.  trans-63.488.1160-44.80000108.6C248S246-C248 PolarHBondContact O-N 2.81Å
247K60Low62.8Low151 Ų15186.6 Ų86.666%0.65749%0.487SS*.  trans-62.495.5177.5-70.8-178.6180-179.90109.5S245 R249S245-K247 VanDerWaalsContact C-N 3.27Å; S245-K247 PolarHBondContact O-N 3.31Å; K247-R249 PolarHBondContact O-N 3.26Å
248C64.6Low65.4Low59 Ų5981.1 Ų81.140%0.39945%0.448SS..  trans-67.3123.1177.8-152.50000108.4Q215 S246Q215-C248 PolarHBondContact NE2-O 3.09Å; S246-C248 PolarHBondContact O-N 2.81Å
249R86.4Confident68.2Low156 Ų15675.9 Ų75.959%0.58941%0.411SS*.  trans-78.1129.6174.5-56.9-175.8-177.8177.60.5107.7P212 K247P212-R249 VanDerWaalsContact CB-C 3.42Å; P212-R249 HydrophobicContact CB-CB 3.77Å; P212-R249 WeakPolarHBondContact CB-O 3.21Å; P212-R249 HydrophobicContact CG-CB 4.48Å; K247-R249 PolarHBondContact O-N 3.26Å
250T91.4Very high70.8Confident11 Ų1172 Ų727%0.06738%0.384CS..BIsolated β-bridgetrans-137.7164.5-176.164.80000111.2L213 P279 L280 L286 Q329L213-T250 PolarHBondContact N-O 3.1Å; T250-P279 HydrophobicContact CG2-CB 4.25Å; T250-P279 HydrophobicContact CG2-CG 4.3Å; T250-L280 HydrophobicContact CG2-CD1 4.04Å; T250-L280 HydrophobicContact CG2-CD2 4.27Å; T250-L280 HydrophobicContact CG2-CG 4.01Å; T250-L286 HydrophobicContact CG2-CD2 4.2Å; T250-Q329 HydrophobicContact CG2-CG 4.47Å
251F94.3Very high72.9Confident5 Ų565.6 Ų65.62%0.02235%0.351CS..  trans-68.7173.8166.1-57.5-41.4000111.2K173 H174 M210 P212 I254 P279 Q329 E333K173-F251 HydrophobicContact CB-CB 4.18Å; K173-F251 HydrophobicContact CB-CD1 4.16Å; K173-F251 HydrophobicContact CB-CG 4.14Å; K173-F251 HydrophobicContact CD-CD1 4.02Å; K173-F251 HydrophobicContact CD-CD2 3.81Å; K173-F251 HydrophobicContact CD-CE1 4.09Å; K173-F251 HydrophobicContact CD-CE2 3.86Å; K173-F251 HydrophobicContact CD-CG 3.91Å; K173-F251 HydrophobicContact CD-CZ 4.02Å; K173-F251 HydrophobicContact CG-CB 4.06Å; K173-F251 HydrophobicContact CG-CD1 4.18Å; K173-F251 HydrophobicContact CG-CD2 4.02Å; K173-F251 HydrophobicContact CG-CG 3.82Å; H174-F251 AromaticContact NE2-CD1 3.54Å; H174-F251 AromaticContact NE2-CE1 3.85Å; M210-F251 WeakPolarHBondContact O-CE1 3.38Å; M210-F251 WeakPolarHBondContact O-CZ 3.3Å; M210-F251 HydrophobicContact SD-CZ 4.27Å; P212-F251 HydrophobicContact CB-CD1 4.34Å; P212-F251 HydrophobicContact CB-CE1 4.27Å; P212-F251 HydrophobicContact CG-CE1 4.17Å; F251-I254 HydrophobicContact CD2-CD1 3.93Å; F251-P279 WeakPolarHBondContact O-CG 3.42Å; F251-Q329 VanDerWaalsContact CD2-NE2 3.33Å; F251-Q329 VanDerWaalsContact CE2-NE2 3.28Å; F251-E333 HydrophobicContact CE2-CG 3.96Å; F251-E333 HydrophobicContact CZ-CG 3.76Å
252R94.4Very high74.8Confident95 Ų9560.4 Ų60.436%0.35833%0.327SS..SBendtrans-75.9-50.7168.8-177.2-169.4-178.7-166.50.1111.3K173 R175 L213 P279K173-R252 VanDerWaalsContact O-CB 3.29Å; K173-R252 WeakPolarHBondContact O-CB 3.43Å; K173-R252 PolarHBondContact O-N 3.34Å; R175-R252 VanDerWaalsContact NE-CZ 3.25Å; R175-R252 VanDerWaalsContact NE-NH1 3.15Å; L213-R252 HydrophobicContact CD1-CB 4.23Å; R252-P279 WeakPolarHBondContact O-CD 3.44Å
253Y96.6Very high76.4Confident53 Ų5358.8 Ų58.821%0.20832%0.315CS..SBendtrans-137.5154.6172.3-62.2-72.3000110.2L172 P255 L276 I277 R278L172-Y253 PolarHBondContact O-N 2.81Å; L172-Y253 VanDerWaalsContact O-N 3.1Å; Y253-P255 WeakPolarHBondContact O-CD 3.47Å; Y253-L276 HydrophobicContact CD1-CB 3.99Å; Y253-L276 HydrophobicContact CD1-CD2 4.3Å; Y253-L276 HydrophobicContact CD2-CD2 4.13Å; Y253-L276 HydrophobicContact CE1-CB 4Å; Y253-L276 HydrophobicContact CE1-CD1 4.37Å; Y253-L276 HydrophobicContact CE2-CD2 4.35Å; Y253-L276 HydrophobicContact CG-CD2 4.11Å; Y253-I277 CarbonylContact C-O 3.55Å; Y253-I277 VanDerWaalsContact CA-O 3.26Å; Y253-I277 WeakPolarHBondContact CA-O 3.43Å; Y253-R278 HydrophobicContact CD1-CG 4.14Å; Y253-R278 HydrophobicContact CE1-CG 3.84Å
254I96.9Very high78Confident1 Ų156.4 Ų56.41%0.00530%0.304CS..  trans-87.7119.6176.3-56.7-57.9000110.2F251 C256 I277 P279 M328F251-I254 HydrophobicContact CD2-CD1 3.93Å; I254-C256 HydrophobicContact CG2-CB 4.22Å; I254-C256 PolarHBondContact O-N 3.41Å; I254-C256 VanDerWaalsContact O-N 3.13Å; I254-I277 HydrophobicContact CB-CB 4.29Å; I254-I277 HydrophobicContact CB-CG2 4.33Å; I254-I277 HydrophobicContact CG1-CG2 4.38Å; I254-I277 PolarHBondContact N-O 2.8Å; I254-P279 HydrophobicContact CD1-CB 3.94Å; I254-P279 HydrophobicContact CG1-CB 4.26Å; I254-M328 HydrophobicContact CG1-CB 4.2Å; I254-M328 HydrophobicContact CG2-CE 3.84Å
255P97.6Very high79.3Confident0 Ų055.6 Ų55.60%030%0.296CS..  trans-70.4104.9171.1-13.428.9000110.1A169 L172 K173 Y253 F341 V342A169-P255 HydrophobicContact CB-CB 4Å; A169-P255 HydrophobicContact CB-CG 3.93Å; L172-P255 HydrophobicContact CB-CG 4.17Å; L172-P255 HydrophobicContact CD1-CB 4Å; L172-P255 HydrophobicContact CD1-CG 4.37Å; K173-P255 HydrophobicContact CD-CG 3.97Å; K173-P255 HydrophobicContact CG-CG 3.61Å; Y253-P255 WeakPolarHBondContact O-CD 3.47Å; P255-F341 HydrophobicContact CB-CD1 3.75Å; P255-F341 HydrophobicContact CB-CD2 4.19Å; P255-F341 HydrophobicContact CB-CE1 3.77Å; P255-F341 HydrophobicContact CB-CE2 4.22Å; P255-F341 HydrophobicContact CB-CG 3.98Å; P255-F341 HydrophobicContact CB-CZ 4.02Å; P255-V342 PolarHBondContact O-N 2.87Å
256C96.5Very high80.1Confident1 Ų156.3 Ų56.31%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-142.4138.1-174.7-177.70000111.3I254 I277 M328 V342 I344I254-C256 HydrophobicContact CG2-CB 4.22Å; I254-C256 PolarHBondContact O-N 3.41Å; I254-C256 VanDerWaalsContact O-N 3.13Å; C256-I277 HydrophobicContact CB-CD1 4.05Å; C256-M328 HydrophobicContact CB-CE 4.36Å; C256-V342 WeakPolarHBondContact CA-O 3.35Å; C256-V342 HydrophobicContact CB-CB 4.37Å; C256-I344 WeakPolarHBondContact SG-CD1 3.43Å
257R95.7Very high80.7Confident14 Ų1452.2 Ų52.25%0.05327%0.272CS..EExtended strand (participates in β ladder)trans-128.2132.4176.8-70.7177.8178.9174.12.8110.3M165 E168 Y259 F272 I273 Q274 F341 V342 I344M165-R257 PolarHBondContact SD-NH1 2.88Å; M165-R257 PolarHBondContact SD-NH2 3.13Å; M165-R257 VanDerWaalsContact SD-NH2 3.36Å; E168-R257 IonicContact OE1-NH2 4Å; E168-R257 PolarHBondContact OE1-NH2 2.93Å; E168-R257 IonicContact OE2-NH2 3.49Å; E168-R257 PolarHBondContact OE2-NH2 3.36Å; R257-Y259 HydrophobicContact CB-CD2 4.45Å; R257-Y259 HydrophobicContact CB-CE2 3.56Å; R257-Y259 WeakPolarHBondContact CD-OH 3.43Å; R257-F272 HydrophobicContact CB-CB 4.31Å; R257-F272 HydrophobicContact CB-CD2 4.11Å; R257-F272 HydrophobicContact CB-CG 4.32Å; R257-F272 HydrophobicContact CG-CD2 3.64Å; R257-F272 HydrophobicContact CG-CE2 3.93Å; R257-F272 HydrophobicContact CG-CG 4.22Å; R257-F272 VanDerWaalsContact NE-CE2 3.34Å; R257-I273 WeakPolarHBondContact CA-O 3.41Å; R257-Q274 HydrophobicContact CG-CB 4.31Å; R257-F341 HydrophobicContact CG-CD1 3.9Å; R257-F341 HydrophobicContact CG-CE1 4.15Å; R257-V342 PolarHBondContact N-O 3.27Å; R257-I344 PolarHBondContact O-N 3.02Å
258L93.8Very high80.3Confident0 Ų048.3 Ų48.30%026%0.261CS..EExtended strand (participates in β ladder)trans-103.6127.7175.5175.670.7000110.4F272 I273 L296 F297 F315 I344 A346L258-F272 CarbonylContact O-C 3.47Å; L258-F272 VanDerWaalsContact O-CA 3.26Å; L258-F272 WeakPolarHBondContact O-CA 3.34Å; L258-F272 WeakPolarHBondContact O-CB 3.44Å; L258-I273 HydrophobicContact CB-CB 4.29Å; L258-I273 HydrophobicContact CD2-CD1 4.22Å; L258-I273 PolarHBondContact N-O 3.31Å; L258-I273 PolarHBondContact O-N 3.18Å; L258-L296 HydrophobicContact CB-CB 4.36Å; L258-L296 HydrophobicContact CB-CD1 4.1Å; L258-L296 HydrophobicContact CB-CD2 4.47Å; L258-L296 HydrophobicContact CD2-CB 3.77Å; L258-F297 HydrophobicContact CD1-CE2 4.11Å; L258-F297 HydrophobicContact CD2-CD2 3.62Å; L258-F297 HydrophobicContact CD2-CE2 3.26Å; L258-F297 HydrophobicContact CD2-CZ 4.04Å; L258-F297 HydrophobicContact CG-CE2 4.28Å; L258-F315 HydrophobicContact CD1-CD1 4.32Å; L258-F315 HydrophobicContact CD1-CE1 4.25Å; L258-I344 CarbonylContact C-O 3.49Å; L258-I344 WeakPolarHBondContact CA-O 3.39Å; L258-I344 HydrophobicContact CD1-CB 4.23Å; L258-I344 HydrophobicContact CD1-CG2 3.99Å; L258-A346 HydrophobicContact CD1-CB 3.92Å
259Y92.2Very high79.9Confident3 Ų346.5 Ų46.51%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-113105.8178.8-59.1-93.4000108.9Y117 L121 M125 R257 F272 H343 I344 A346Y117-Y259 HydrophobicContact CD2-CE1 4.16Å; Y117-Y259 HydrophobicContact CE1-CE1 4.29Å; Y117-Y259 AromaticContact CE2-CD1 3.87Å; Y117-Y259 HydrophobicContact CE2-CD1 3.87Å; Y117-Y259 AromaticContact CE2-CE1 3.46Å; Y117-Y259 HydrophobicContact CE2-CE1 3.46Å; Y117-Y259 VanDerWaalsContact CE2-CE1 3.46Å; Y117-Y259 AromaticContact CZ-CE1 3.57Å; L121-Y259 HydrophobicContact CD1-CD2 3.69Å; L121-Y259 HydrophobicContact CD1-CE2 3.96Å; L121-Y259 HydrophobicContact CD1-CG 4.01Å; L121-Y259 HydrophobicContact CD2-CD1 4.45Å; L121-Y259 HydrophobicContact CD2-CD2 4.27Å; L121-Y259 HydrophobicContact CD2-CE1 3.9Å; L121-Y259 HydrophobicContact CD2-CE2 3.73Å; M125-Y259 HydrophobicContact SD-CD1 3.78Å; M125-Y259 HydrophobicContact SD-CG 3.95Å; R257-Y259 HydrophobicContact CB-CD2 4.45Å; R257-Y259 HydrophobicContact CB-CE2 3.56Å; R257-Y259 WeakPolarHBondContact CD-OH 3.43Å; Y259-F272 HydrophobicContact CD1-CB 3.74Å; Y259-F272 HydrophobicContact CE1-CB 3.5Å; Y259-F272 AromaticContact CE1-CD1 3.98Å; Y259-F272 HydrophobicContact CE1-CD1 3.98Å; Y259-F272 HydrophobicContact CE1-CG 4.09Å; Y259-F272 HydrophobicContact CE2-CB 4.43Å; Y259-F272 HydrophobicContact CG-CB 4.32Å; Y259-H343 HydrophobicContact CD2-CB 4.45Å; Y259-H343 HydrophobicContact CE2-CB 3.82Å; Y259-H343 AromaticContact CE2-CG 3.99Å; Y259-H343 AromaticContact CE2-ND1 3.45Å; Y259-H343 WeakPolarHBondContact CE2-ND1 3.26Å; Y259-H343 AromaticContact CZ-ND1 3.67Å; Y259-H343 PolarHBondContact OH-ND1 2.61Å; Y259-H343 VanDerWaalsContact OH-ND1 3.08Å; Y259-I344 WeakPolarHBondContact CD2-O 3.37Å; Y259-I344 PolarHBondContact N-O 2.97Å; Y259-A346 PolarHBondContact O-N 3.13Å
260C87.9Confident78.7Confident19 Ų1942 Ų4213%0.12824%0.241CC..EExtended strand (participates in β ladder)trans-88117.6178.4-63.20000110
261V83.4Confident78.2Confident21 Ų2143.1 Ų43.113%0.12726%0.255CS..PPolyproline II helixtrans-83124.1172.2-176.20000108.1M125 V345 A346 R347 P348M125-V261 HydrophobicContact CB-CG2 4.15Å; M125-V261 HydrophobicContact CG-CG2 4.41Å; V261-V345 HydrophobicContact CG2-CG1 3.91Å; V261-A346 PolarHBondContact N-O 3.25Å; V261-R347 HydrophobicContact CB-CG 4.3Å; V261-R347 HydrophobicContact CG2-CG 4Å; V261-P348 VanDerWaalsContact O-CD 3.31Å; V261-P348 WeakPolarHBondContact O-CD 3.46Å
262S73.5Confident78Confident48 Ų4846.5 Ų46.534%0.33627%0.27SS..PPolyproline II helixtrans-68.9150.6176.5177.40000110.9N264 S267S262-N264 PolarHBondContact O-N 3.5Å; S262-N264 PolarHBondContact OG-N 3.33Å; S262-S267 WeakPolarHBondContact CB-OG 3.47Å; S262-S267 PolarHBondContact OG-OG 2.93Å
263E63.4Low77.8Confident105 Ų10542.7 Ų42.749%0.49126%0.256SS..SBendtrans-65.5-23.5172.8-68.2-171.2160.200112.6P265 P348 H351E263-P265 WeakPolarHBondContact O-CD 3.45Å; E263-P348 HydrophobicContact CG-CB 3.9Å; E263-P348 HydrophobicContact CG-CG 3.61Å; E263-H351 PolarHBondContact O-CE1 3.14Å; E263-H351 PolarHBondContact O-NE2 3.32Å
264N62.6Low77.7Confident102 Ų10243.2 Ų43.255%0.54526%0.261SS..  trans-86.5108.4175.4-75.9-31.9000109.8S262 S266 S267S262-N264 PolarHBondContact O-N 3.5Å; S262-N264 PolarHBondContact OG-N 3.33Å; N264-S266 PolarHBondContact O-N 3.43Å; N264-S266 VanDerWaalsContact O-N 3.08Å; N264-S267 PolarHBondContact O-N 3.15Å; N264-S267 PolarHBondContact O-OG 3.32Å
265P55.5Low77.5Confident101 Ų10145.9 Ų45.966%0.65627%0.272SS*.THydrogen-bonded Turntrans-65.3-13.218026.2-34.2000113.2Q111 E263Q111-P265 PolarHBondContact NE2-O 3.08Å; E263-P265 WeakPolarHBondContact O-CD 3.45Å
266S53.1Low77.3Confident109 Ų10950.9 Ų50.976%0.76230%0.299SS*.THydrogen-bonded Turntrans-83.2-16172.454.20000113.6N264N264-S266 PolarHBondContact O-N 3.43Å; N264-S266 VanDerWaalsContact O-N 3.08Å
267S54.5Low77.2Confident43 Ų4350.9 Ų50.930%0.30130%0.298SS..SBendtrans-84.7119.7176.559.90000109.8S262 N264S262-S267 WeakPolarHBondContact CB-OG 3.47Å; S262-S267 PolarHBondContact OG-OG 2.93Å; N264-S267 PolarHBondContact O-N 3.15Å; N264-S267 PolarHBondContact O-OG 3.32Å
268T51.9Low77.2Confident69 Ų6955.3 Ų55.342%0.42332%0.315SS..PPolyproline II helixtrans-55.7133.2173.943.60000109.7L147 S270L147-T268 HydrophobicContact CD1-CG2 4.32Å; L147-T268 HydrophobicContact CD2-CG2 4.19Å; T268-S270 PolarHBondContact O-N 3.07Å
269P56Low77.1Confident21 Ų2155.6 Ų55.614%0.13632%0.317CS..PPolyproline II helixtrans-53.1118.1179.8-20.326.1000110.4K114 G271K114-P269 PolarHBondContact NZ-O 3.42Å; K114-P269 VanDerWaalsContact NZ-O 3.17Å; P269-G271 PolarHBondContact O-N 3.36Å
270S61.9Low77.2Confident60 Ų6057.1 Ų57.142%0.4233%0.325SS..PPolyproline II helixtrans-73.7116.8-177-174.90000110.2T268 L304T268-S270 PolarHBondContact O-N 3.07Å; S270-L304 WeakPolarHBondContact OG-CD1 3.05Å; S270-L304 WeakPolarHBondContact OG-CD2 3.37Å
271G80.5Confident77.4Confident36 Ų3658.2 Ų58.237%0.37133%0.33SS..  trans39.1-149.2168.300000116.5P269P269-G271 PolarHBondContact O-N 3.36Å
272F90Very high77.6Confident76 Ų7663.8 Ų63.833%0.33336%0.359SS..  trans-144.9157.3163.556.4-98.6000108.3R257 L258 Y259 Q274R257-F272 HydrophobicContact CB-CB 4.31Å; R257-F272 HydrophobicContact CB-CD2 4.11Å; R257-F272 HydrophobicContact CB-CG 4.32Å; R257-F272 HydrophobicContact CG-CD2 3.64Å; R257-F272 HydrophobicContact CG-CE2 3.93Å; R257-F272 HydrophobicContact CG-CG 4.22Å; R257-F272 VanDerWaalsContact NE-CE2 3.34Å; L258-F272 CarbonylContact O-C 3.47Å; L258-F272 VanDerWaalsContact O-CA 3.26Å; L258-F272 WeakPolarHBondContact O-CA 3.34Å; L258-F272 WeakPolarHBondContact O-CB 3.44Å; Y259-F272 HydrophobicContact CD1-CB 3.74Å; Y259-F272 HydrophobicContact CE1-CB 3.5Å; Y259-F272 AromaticContact CE1-CD1 3.98Å; Y259-F272 HydrophobicContact CE1-CD1 3.98Å; Y259-F272 HydrophobicContact CE1-CG 4.09Å; Y259-F272 HydrophobicContact CE2-CB 4.43Å; Y259-F272 HydrophobicContact CG-CB 4.32Å; F272-Q274 HydrophobicContact CD2-CB 4.1Å; F272-Q274 HydrophobicContact CE2-CB 4.06Å
273I91Very high78.4Confident14 Ų1467.5 Ų67.57%0.07238%0.375CS..BIsolated β-bridgetrans-101.3126.8173.3-58.1168.4000107.7R257 L258 K275 L296 V305R257-I273 WeakPolarHBondContact CA-O 3.41Å; L258-I273 HydrophobicContact CB-CB 4.29Å; L258-I273 HydrophobicContact CD2-CD1 4.22Å; L258-I273 PolarHBondContact N-O 3.31Å; L258-I273 PolarHBondContact O-N 3.18Å; I273-K275 HydrophobicContact CG2-CG 4.46Å; I273-L296 HydrophobicContact CG2-CD2 4.19Å; I273-V305 HydrophobicContact CD1-CG2 3.78Å
274Q93.5Very high79.6Confident64 Ų6465 Ų6530%0.29938%0.378SS..  trans-129.8129.1175179.9171.5-45.200109E168 R257 F272E168-Q274 PolarHBondContact OE1-NE2 3.42Å; E168-Q274 PolarHBondContact OE1-OE1 2.96Å; R257-Q274 HydrophobicContact CG-CB 4.31Å; F272-Q274 HydrophobicContact CD2-CB 4.1Å; F272-Q274 HydrophobicContact CE2-CB 4.06Å
275K92.5Very high81Confident57 Ų5762.3 Ų62.325%0.24837%0.367CS..  trans-138.4164.1177.6-69.6178.2-175.5160.50109.7I273 I277 I295 L296 T299I273-K275 HydrophobicContact CG2-CG 4.46Å; K275-I277 PolarHBondContact O-N 2.97Å; K275-I295 HydrophobicContact CB-CG2 4.32Å; K275-I295 HydrophobicContact CD-CG2 4.25Å; K275-I295 WeakPolarHBondContact CD-O 3.42Å; K275-I295 PolarHBondContact NZ-O 3.05Å; K275-L296 HydrophobicContact CB-CD2 4.25Å; K275-L296 PolarHBondContact NZ-O 3.04Å; K275-T299 WeakPolarHBondContact CE-OG1 3.39Å; K275-T299 VanDerWaalsContact NZ-CB 3.34Å; K275-T299 PolarHBondContact NZ-OG1 2.99Å
276L94.6Very high82.8Confident106 Ų10660.5 Ų60.556%0.55535%0.351SS*.  trans-73.6116.9173.9-63.7179.2000109.6L172 Y253L172-L276 HydrophobicContact CD2-CD2 3.79Å; Y253-L276 HydrophobicContact CD1-CB 3.99Å; Y253-L276 HydrophobicContact CD1-CD2 4.3Å; Y253-L276 HydrophobicContact CD2-CD2 4.13Å; Y253-L276 HydrophobicContact CE1-CB 4Å; Y253-L276 HydrophobicContact CE1-CD1 4.37Å; Y253-L276 HydrophobicContact CE2-CD2 4.35Å; Y253-L276 HydrophobicContact CG-CD2 4.11Å
277I94.7Very high84.8Confident0 Ų055.4 Ų55.40%032%0.315CS..  trans-114116.8175.7-60.5172.9000107.1Y253 I254 C256 K275 T287 A292 I295 L296Y253-I277 CarbonylContact C-O 3.55Å; Y253-I277 VanDerWaalsContact CA-O 3.26Å; Y253-I277 WeakPolarHBondContact CA-O 3.43Å; I254-I277 HydrophobicContact CB-CB 4.29Å; I254-I277 HydrophobicContact CB-CG2 4.33Å; I254-I277 HydrophobicContact CG1-CG2 4.38Å; I254-I277 PolarHBondContact N-O 2.8Å; C256-I277 HydrophobicContact CB-CD1 4.05Å; K275-I277 PolarHBondContact O-N 2.97Å; I277-T287 HydrophobicContact CG2-CG2 4.1Å; I277-A292 HydrophobicContact CD1-CB 3.94Å; I277-A292 HydrophobicContact CG2-CB 4.36Å; I277-I295 HydrophobicContact CG1-CG2 4.3Å; I277-L296 HydrophobicContact CD1-CD1 3.96Å; I277-L296 HydrophobicContact CD1-CD2 4.28Å; I277-L296 HydrophobicContact CD1-CG 4.09Å
278R94.4Very high86.8Confident108 Ų10854.1 Ų54.141%0.40831%0.307SS..  trans-74144.4171.2-68.5-177.2-74.4171.92.9108.1Y253 L280 D282 T287Y253-R278 HydrophobicContact CD1-CG 4.14Å; Y253-R278 HydrophobicContact CE1-CG 3.84Å; R278-L280 VanDerWaalsContact C-N 3.25Å; R278-L280 WeakPolarHBondContact CB-O 3.49Å; R278-D282 IonicContact CZ-OD1 2.8Å; R278-D282 IonicContact NH1-OD1 2.99Å; R278-D282 PolarHBondContact NH1-OD1 2.99Å; R278-D282 IonicContact NH2-OD1 3.92Å; R278-D282 PolarHBondContact NH2-OD1 3.44Å; R278-D282 IonicContact NH2-OD2 3.14Å; R278-D282 PolarHBondContact NH2-OD2 3.45Å; R278-T287 VanDerWaalsContact O-CB 3.29Å; R278-T287 WeakPolarHBondContact O-CB 3.43Å; R278-T287 PolarHBondContact O-OG1 3.25Å
279P93.3Very high88.9Confident5 Ų551 Ų513%0.03229%0.287CS..SBendtrans-76.6-15174.326.5-30.2000113.4T250 F251 R252 I254 L286 T287 Q329T250-P279 HydrophobicContact CG2-CB 4.25Å; T250-P279 HydrophobicContact CG2-CG 4.3Å; F251-P279 WeakPolarHBondContact O-CG 3.42Å; R252-P279 WeakPolarHBondContact O-CD 3.44Å; I254-P279 HydrophobicContact CD1-CB 3.94Å; I254-P279 HydrophobicContact CG1-CB 4.26Å; P279-L286 WeakPolarHBondContact O-CA 3.34Å; P279-T287 PolarHBondContact O-N 2.86Å; P279-Q329 HydrophobicContact CB-CB 4.34Å
280L93.3Very high90.6Very high35 Ų3552.5 Ų52.518%0.18329%0.292CS..BIsolated β-bridgetrans-121.4133.9177.9-65.5166.4000109.3Q215 T250 R278 S285 L286Q215-L280 VanDerWaalsContact NE2-CD1 3.31Å; T250-L280 HydrophobicContact CG2-CD1 4.04Å; T250-L280 HydrophobicContact CG2-CD2 4.27Å; T250-L280 HydrophobicContact CG2-CG 4.01Å; R278-L280 VanDerWaalsContact C-N 3.25Å; R278-L280 WeakPolarHBondContact CB-O 3.49Å; L280-S285 CarbonylContact C-O 3.57Å; L280-S285 VanDerWaalsContact CA-O 3.31Å; L280-S285 WeakPolarHBondContact CA-O 3.43Å; L280-L286 HydrophobicContact CD2-CD2 3.74Å; L280-L286 HydrophobicContact CD2-CG 4.36Å
281N91.4Very high92.1Very high43 Ų4351.8 Ų51.823%0.2328%0.284CS..  trans-74.1167.5169.2-67.3-25.4000110D283 G284 S285 T287 D291N281-D283 WeakPolarHBondContact CB-OD1 3.34Å; N281-D283 PolarHBondContact O-N 3.02Å; N281-G284 PolarHBondContact O-N 3.35Å; N281-S285 PolarHBondContact N-O 3.21Å; N281-S285 PolarHBondContact ND2-OG 3.13Å; N281-S285 VanDerWaalsContact ND2-OG 3.14Å; N281-T287 PolarHBondContact N-OG1 3.08Å; N281-T287 PolarHBondContact OD1-OG1 2.87Å; N281-D291 PolarHBondContact ND2-OD2 3.37Å; N281-D291 VanDerWaalsContact ND2-OD2 3.16Å
282D89.1Confident92.7Very high137 Ų13750 Ų5073%0.73327%0.266SS*.THydrogen-bonded Turntrans-67-18.5-176.7-64.8-39.4000113.2R278 G284R278-D282 IonicContact CZ-OD1 2.8Å; R278-D282 IonicContact NH1-OD1 2.99Å; R278-D282 PolarHBondContact NH1-OD1 2.99Å; R278-D282 IonicContact NH2-OD1 3.92Å; R278-D282 PolarHBondContact NH2-OD1 3.44Å; R278-D282 IonicContact NH2-OD2 3.14Å; R278-D282 PolarHBondContact NH2-OD2 3.45Å; D282-G284 VanDerWaalsContact C-N 3.31Å
283D90.1Very high92.8Very high127 Ų12746.4 Ų46.468%0.67925%0.25SS*.THydrogen-bonded Turntrans-83.5-3.4172.569.1-13.8000113.6N281 S285N281-D283 WeakPolarHBondContact CB-OD1 3.34Å; N281-D283 PolarHBondContact O-N 3.02Å; D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 VanDerWaalsContact CG-OG 3.28Å; D283-S285 VanDerWaalsContact OD1-CB 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.38Å; D283-S285 PolarHBondContact OD1-N 3.36Å; D283-S285 PolarHBondContact OD1-OG 3.41Å; D283-S285 PolarHBondContact OD2-OG 3.16Å
284G88.4Confident92.7Very high53 Ų5349.6 Ų49.655%0.54627%0.265SS..SBendtrans82.91.9-176.500000114.8N281 D282N281-G284 PolarHBondContact O-N 3.35Å; D282-G284 VanDerWaalsContact C-N 3.31Å
285S91.9Very high92.6Very high45 Ų4549.7 Ų49.732%0.31527%0.266SS..PPolyproline II helixtrans-71155.1170.168.90000111L280 N281 D283L280-S285 CarbonylContact C-O 3.57Å; L280-S285 VanDerWaalsContact CA-O 3.31Å; L280-S285 WeakPolarHBondContact CA-O 3.43Å; N281-S285 PolarHBondContact N-O 3.21Å; N281-S285 PolarHBondContact ND2-OG 3.13Å; N281-S285 VanDerWaalsContact ND2-OG 3.14Å; D283-S285 VanDerWaalsContact C-N 3.33Å; D283-S285 VanDerWaalsContact CG-OG 3.28Å; D283-S285 VanDerWaalsContact OD1-CB 3.29Å; D283-S285 WeakPolarHBondContact OD1-CB 3.38Å; D283-S285 PolarHBondContact OD1-N 3.36Å; D283-S285 PolarHBondContact OD1-OG 3.41Å; D283-S285 PolarHBondContact OD2-OG 3.16Å
286L93.6Very high92.4Very high62 Ų6247 Ų4733%0.32526%0.255SS..BIsolated β-bridgetrans-72.4131.1173.5-71.3168.8000109.6T250 P279 L280 S288 P327 Q329T250-L286 HydrophobicContact CG2-CD2 4.2Å; P279-L286 WeakPolarHBondContact O-CA 3.34Å; L280-L286 HydrophobicContact CD2-CD2 3.74Å; L280-L286 HydrophobicContact CD2-CG 4.36Å; L286-S288 PolarHBondContact O-N 2.91Å; L286-P327 HydrophobicContact CB-CB 4.04Å; L286-P327 HydrophobicContact CD1-CB 3.94Å; L286-P327 HydrophobicContact CD1-CG 4.17Å; L286-Q329 HydrophobicContact CD2-CB 4.21Å
287T95.2Very high91.7Very high2 Ų242.9 Ų42.91%0.01223%0.232CC..PPolyproline II helixtrans-60.5121.6175.1-57.10000109.7I277 R278 P279 N281 D291 M328I277-T287 HydrophobicContact CG2-CG2 4.1Å; R278-T287 VanDerWaalsContact O-CB 3.29Å; R278-T287 WeakPolarHBondContact O-CB 3.43Å; R278-T287 PolarHBondContact O-OG1 3.25Å; P279-T287 PolarHBondContact O-N 2.86Å; N281-T287 PolarHBondContact N-OG1 3.08Å; N281-T287 PolarHBondContact OD1-OG1 2.87Å; T287-D291 HydrophobicContact CG2-CB 3.63Å; T287-M328 WeakPolarHBondContact O-CB 3.35Å; T287-M328 PolarHBondContact O-N 2.83Å
288S96.3Very high90.6Very high17 Ų1748.6 Ų48.612%0.11926%0.259CS..BIsolated β-bridgetrans-81.3167.6-178.668.20000111.8L286 Q290 D291 A292 M328L286-S288 PolarHBondContact O-N 2.91Å; S288-Q290 PolarHBondContact O-N 2.74Å; S288-D291 PolarHBondContact N-OD2 2.96Å; S288-D291 PolarHBondContact O-N 2.99Å; S288-D291 PolarHBondContact OG-N 3.25Å; S288-D291 PolarHBondContact OG-OD1 2.7Å; S288-D291 PolarHBondContact OG-OD2 3.34Å; S288-A292 PolarHBondContact O-N 3.1Å; S288-A292 VanDerWaalsContact O-N 3.07Å; S288-M328 WeakPolarHBondContact O-CG 3.42Å
289L95.3Very high88.7Confident4 Ų447.2 Ų47.22%0.02126%0.263CS..Hα-helixtrans-59.6-37.8172.1177.461000111.3A292 I293 I317 L322 H324 T326 M328 I331 I344L289-A292 PolarHBondContact O-N 3.49Å; L289-I293 HydrophobicContact CD1-CD1 4.12Å; L289-I293 HydrophobicContact CD1-CG1 4.32Å; L289-I293 HydrophobicContact CG-CD1 3.87Å; L289-I293 WeakPolarHBondContact O-CD1 3.47Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 3.37Å; L289-I317 HydrophobicContact CD1-CD1 4.49Å; L289-L322 HydrophobicContact CD2-CB 3.9Å; L289-L322 HydrophobicContact CD2-CD1 4.49Å; L289-H324 WeakPolarHBondContact CB-O 3.49Å; L289-H324 PolarHBondContact N-O 2.74Å; L289-T326 PolarHBondContact N-O 2.71Å; L289-M328 HydrophobicContact CB-SD 4.34Å; L289-M328 HydrophobicContact CD1-SD 3.84Å; L289-I331 HydrophobicContact CB-CD1 4.05Å; L289-I331 HydrophobicContact CD1-CD1 4.22Å; L289-I331 HydrophobicContact CD2-CD1 4.44Å; L289-I331 HydrophobicContact CG-CD1 4.47Å; L289-I344 HydrophobicContact CD1-CD1 3.9Å
290Q92.9Very high86.4Confident51 Ų5154.4 Ų54.424%0.23830%0.301CS..Hα-helixtrans-59-50.9174.4-176.56035.500111.6S288 A292 I293 E294 H324S288-Q290 PolarHBondContact O-N 2.74Å; Q290-A292 VanDerWaalsContact C-N 3.27Å; Q290-A292 PolarHBondContact O-N 3.18Å; Q290-I293 PolarHBondContact O-N 3.48Å; Q290-I293 VanDerWaalsContact O-N 3.15Å; Q290-E294 PolarHBondContact NE2-OE1 3.33Å; Q290-E294 WeakPolarHBondContact O-CG 3.48Å; Q290-E294 PolarHBondContact O-N 3.45Å; Q290-H324 HydrophobicContact CB-CB 4.2Å; Q290-H324 PolarHBondContact N-O 3.14Å; Q290-H324 PolarHBondContact OE1-ND1 2.73Å
291D93Very high84.4Confident45 Ų4562.2 Ų62.224%0.24133%0.333CS..Hα-helixtrans-58.3-42.4178.9-57.6-35.1000110.9N281 T287 S288 E294 I295N281-D291 PolarHBondContact ND2-OD2 3.37Å; N281-D291 VanDerWaalsContact ND2-OD2 3.16Å; T287-D291 HydrophobicContact CG2-CB 3.63Å; S288-D291 PolarHBondContact N-OD2 2.96Å; S288-D291 PolarHBondContact O-N 2.99Å; S288-D291 PolarHBondContact OG-N 3.25Å; S288-D291 PolarHBondContact OG-OD1 2.7Å; S288-D291 PolarHBondContact OG-OD2 3.34Å; D291-E294 PolarHBondContact O-N 2.77Å; D291-I295 WeakPolarHBondContact O-CD1 3.41Å; D291-I295 VanDerWaalsContact O-CG1 3.24Å; D291-I295 WeakPolarHBondContact O-CG1 3.24Å; D291-I295 PolarHBondContact O-N 3.49Å
292A93.5Very high82.5Confident0 Ų063.1 Ų63.10%034%0.338CS..Hα-helixtrans-63.8-44176.800000112.7I277 S288 L289 Q290 E294 I295 L296 M328I277-A292 HydrophobicContact CD1-CB 3.94Å; I277-A292 HydrophobicContact CG2-CB 4.36Å; S288-A292 PolarHBondContact O-N 3.1Å; S288-A292 VanDerWaalsContact O-N 3.07Å; L289-A292 PolarHBondContact O-N 3.49Å; Q290-A292 VanDerWaalsContact C-N 3.27Å; Q290-A292 PolarHBondContact O-N 3.18Å; A292-E294 VanDerWaalsContact C-N 3.31Å; A292-E294 PolarHBondContact O-N 3.19Å; A292-I295 PolarHBondContact O-N 3.27Å; A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 VanDerWaalsContact O-CD1 3.31Å; A292-L296 WeakPolarHBondContact O-CD1 3.27Å; A292-L296 WeakPolarHBondContact O-CG 3.45Å; A292-L296 PolarHBondContact O-N 3.44Å; A292-M328 HydrophobicContact CB-CE 4.15Å; A292-M328 HydrophobicContact CB-CG 3.68Å; A292-M328 HydrophobicContact CB-SD 3.71Å
293I91.4Very high80.8Confident0 Ų062 Ų620%034%0.338CS..Hα-helixtrans-60.2-44.9175.2-71160.6000109.7L289 Q290 I295 L296 F297 P310 F315L289-I293 HydrophobicContact CD1-CD1 4.12Å; L289-I293 HydrophobicContact CD1-CG1 4.32Å; L289-I293 HydrophobicContact CG-CD1 3.87Å; L289-I293 WeakPolarHBondContact O-CD1 3.47Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 3.37Å; Q290-I293 PolarHBondContact O-N 3.48Å; Q290-I293 VanDerWaalsContact O-N 3.15Å; I293-I295 PolarHBondContact O-N 2.88Å; I293-L296 PolarHBondContact O-N 3.41Å; I293-L296 VanDerWaalsContact O-N 3.15Å; I293-F297 HydrophobicContact CG2-CD2 3.75Å; I293-F297 HydrophobicContact CG2-CE2 3.99Å; I293-F297 WeakPolarHBondContact O-CB 3.14Å; I293-F297 VanDerWaalsContact O-CD2 3.32Å; I293-F297 WeakPolarHBondContact O-CD2 3.41Å; I293-F297 PolarHBondContact O-N 2.8Å; I293-P310 HydrophobicContact CG2-CB 3.88Å; I293-F315 HydrophobicContact CD1-CB 4.22Å; I293-F315 HydrophobicContact CD1-CD1 4.01Å; I293-F315 HydrophobicContact CD1-CD2 3.48Å; I293-F315 VanDerWaalsContact CD1-CD2 3.48Å; I293-F315 HydrophobicContact CD1-CE1 4.28Å; I293-F315 HydrophobicContact CD1-CE2 3.79Å; I293-F315 HydrophobicContact CD1-CG 3.6Å; I293-F315 HydrophobicContact CD1-CZ 4.18Å; I293-F315 HydrophobicContact CG1-CD1 4.12Å; I293-F315 HydrophobicContact CG1-CD2 4.37Å; I293-F315 HydrophobicContact CG1-CE1 4.17Å; I293-F315 HydrophobicContact CG1-CE2 4.4Å; I293-F315 HydrophobicContact CG1-CG 4.23Å; I293-F315 HydrophobicContact CG1-CZ 4.3Å; I293-F315 HydrophobicContact CG2-CE1 3.9Å; I293-F315 HydrophobicContact CG2-CE2 3.87Å; I293-F315 HydrophobicContact CG2-CZ 3.44Å; I293-F315 VanDerWaalsContact CG2-CZ 3.44Å
294E89.5Confident79Confident81 Ų8159.8 Ų59.838%0.37933%0.326SS..Hα-helixtrans-61.3-45.4178.3-73.9177.5-166.100111.9Q290 D291 A292 L296 F297 H298Q290-E294 PolarHBondContact NE2-OE1 3.33Å; Q290-E294 WeakPolarHBondContact O-CG 3.48Å; Q290-E294 PolarHBondContact O-N 3.45Å; D291-E294 PolarHBondContact O-N 2.77Å; A292-E294 VanDerWaalsContact C-N 3.31Å; A292-E294 PolarHBondContact O-N 3.19Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.49Å; E294-F297 PolarHBondContact O-N 2.74Å; E294-H298 WeakPolarHBondContact O-CA 3.36Å; E294-H298 VanDerWaalsContact O-CB 3.26Å; E294-H298 WeakPolarHBondContact O-CB 3.5Å; E294-H298 PolarHBondContact O-CD2 3.05Å; E294-H298 PolarHBondContact O-N 3.4Å
295I90.4Very high77.3Confident65 Ų6558.3 Ų58.333%0.33331%0.306SS..Hα-helixtrans-59.2-42.3174.5-68.8163.1000110.7K275 I277 D291 A292 I293K275-I295 HydrophobicContact CB-CG2 4.32Å; K275-I295 HydrophobicContact CD-CG2 4.25Å; K275-I295 WeakPolarHBondContact CD-O 3.42Å; K275-I295 PolarHBondContact NZ-O 3.05Å; I277-I295 HydrophobicContact CG1-CG2 4.3Å; D291-I295 WeakPolarHBondContact O-CD1 3.41Å; D291-I295 VanDerWaalsContact O-CG1 3.24Å; D291-I295 WeakPolarHBondContact O-CG1 3.24Å; D291-I295 PolarHBondContact O-N 3.49Å; A292-I295 PolarHBondContact O-N 3.27Å; I293-I295 PolarHBondContact O-N 2.88Å
296L87.9Confident75.4Confident1 Ų163.5 Ų63.51%0.00533%0.326CS..Hα-helixtrans-70.7-40-177.4-68.7162.1000111.9L258 I273 K275 I277 A292 I293 E294L258-L296 HydrophobicContact CB-CB 4.36Å; L258-L296 HydrophobicContact CB-CD1 4.1Å; L258-L296 HydrophobicContact CB-CD2 4.47Å; L258-L296 HydrophobicContact CD2-CB 3.77Å; I273-L296 HydrophobicContact CG2-CD2 4.19Å; K275-L296 HydrophobicContact CB-CD2 4.25Å; K275-L296 PolarHBondContact NZ-O 3.04Å; I277-L296 HydrophobicContact CD1-CD1 3.96Å; I277-L296 HydrophobicContact CD1-CD2 4.28Å; I277-L296 HydrophobicContact CD1-CG 4.09Å; A292-L296 WeakPolarHBondContact O-CB 3.45Å; A292-L296 VanDerWaalsContact O-CD1 3.31Å; A292-L296 WeakPolarHBondContact O-CD1 3.27Å; A292-L296 WeakPolarHBondContact O-CG 3.45Å; A292-L296 PolarHBondContact O-N 3.44Å; I293-L296 PolarHBondContact O-N 3.41Å; I293-L296 VanDerWaalsContact O-N 3.15Å; E294-L296 VanDerWaalsContact C-N 3.29Å; E294-L296 PolarHBondContact O-N 3.49Å
297F80.6Confident73.3Confident19 Ų1969 Ų698%0.08336%0.355CS..Hα-helixtrans-82.3-47.6179.6-84.9-104.8000114L258 I293 E294 T299 V305 P310 Y313 F315 A346L258-F297 HydrophobicContact CD1-CE2 4.11Å; L258-F297 HydrophobicContact CD2-CD2 3.62Å; L258-F297 HydrophobicContact CD2-CE2 3.26Å; L258-F297 HydrophobicContact CD2-CZ 4.04Å; L258-F297 HydrophobicContact CG-CE2 4.28Å; I293-F297 HydrophobicContact CG2-CD2 3.75Å; I293-F297 HydrophobicContact CG2-CE2 3.99Å; I293-F297 WeakPolarHBondContact O-CB 3.14Å; I293-F297 VanDerWaalsContact O-CD2 3.32Å; I293-F297 WeakPolarHBondContact O-CD2 3.41Å; I293-F297 PolarHBondContact O-N 2.8Å; E294-F297 PolarHBondContact O-N 2.74Å; F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.35Å; F297-V305 HydrophobicContact CD1-CG1 3.89Å; F297-V305 HydrophobicContact CE1-CG1 4.13Å; F297-P310 HydrophobicContact CD1-CB 4.45Å; F297-P310 HydrophobicContact CG-CB 4.4Å; F297-Y313 AromaticContact CE1-CD2 4Å; F297-Y313 HydrophobicContact CE1-CD2 4Å; F297-Y313 HydrophobicContact CE1-CE2 4.1Å; F297-Y313 HydrophobicContact CZ-CD2 4.23Å; F297-Y313 HydrophobicContact CZ-CG 4.46Å; F297-F315 AromaticContact CE2-CE1 3.44Å; F297-F315 HydrophobicContact CE2-CE1 3.44Å; F297-F315 VanDerWaalsContact CE2-CE1 3.44Å; F297-F315 AromaticContact CE2-CZ 3.71Å; F297-F315 HydrophobicContact CE2-CZ 3.71Å; F297-F315 AromaticContact CZ-CE1 3.75Å; F297-F315 HydrophobicContact CZ-CE1 3.75Å; F297-F315 AromaticContact CZ-CZ 3.89Å; F297-F315 HydrophobicContact CZ-CZ 3.89Å; F297-A346 HydrophobicContact CZ-CB 4.14Å
298H71.8Confident71.3Confident121 Ų12171.3 Ų71.356%0.5637%0.369SS*.  trans-83.171.6-171.9-64.6-72.6000111.3E294E294-H298 WeakPolarHBondContact O-CA 3.36Å; E294-H298 VanDerWaalsContact O-CB 3.26Å; E294-H298 WeakPolarHBondContact O-CB 3.5Å; E294-H298 PolarHBondContact O-CD2 3.05Å; E294-H298 PolarHBondContact O-N 3.4Å
299T54.9Low69.8Low79 Ų7976.2 Ų76.249%0.48539%0.391SS..  trans-133.5110.3153.4-51.30000109.3K275 F297 K301K275-T299 WeakPolarHBondContact CE-OG1 3.39Å; K275-T299 VanDerWaalsContact NZ-CB 3.34Å; K275-T299 PolarHBondContact NZ-OG1 2.99Å; F297-T299 VanDerWaalsContact C-N 3.29Å; F297-T299 PolarHBondContact O-N 3.35Å; T299-K301 PolarHBondContact O-N 3.41Å
300N44.9Very low68.6Low156 Ų15676.8 Ų76.883%0.83440%0.395SS*.THydrogen-bonded Turntrans-28125.7168.2-93.3-40000112.3
301K51Low67.7Low199 Ų19982 Ų8287%0.86542%0.416SS*.THydrogen-bonded Turntrans84.721.9168.3-48.5177.4179.2-178.90118.2T299 P303T299-K301 PolarHBondContact O-N 3.41Å; K301-P303 WeakPolarHBondContact O-CD 3.14Å
302N50.8Low67Low62 Ų6281.3 Ų81.333%0.33242%0.42SS..  trans-85.6110.9170-154.5-13.3000110.8L304 V305N302-L304 PolarHBondContact O-N 2.88Å; N302-L304 WeakPolarHBondContact OD1-CG 3.29Å; N302-V305 PolarHBondContact O-N 2.88Å; N302-V305 VanDerWaalsContact O-N 3.16Å
303P52.7Low66.6Low113 Ų11382.5 Ų82.573%0.73443%0.425SS*.THydrogen-bonded Turntrans-62.2-14.2179.225.3-34.7000113.4K301 V305K301-P303 WeakPolarHBondContact O-CD 3.14Å; P303-V305 VanDerWaalsContact C-N 3.33Å
304L53.7Low66.4Low81 Ų8183.8 Ų83.842%0.42443%0.432SS..THydrogen-bonded Turntrans-75.3-22.9179.1-57.6-172.6000113.8S270 N302S270-L304 WeakPolarHBondContact OG-CD1 3.05Å; S270-L304 WeakPolarHBondContact OG-CD2 3.37Å; N302-L304 PolarHBondContact O-N 2.88Å; N302-L304 WeakPolarHBondContact OD1-CG 3.29Å
305V52.7Low66.5Low21 Ų2180.9 Ų80.913%0.12742%0.418CS..SBendtrans-112.586.8173.8-171.20000104.9I273 F297 N302 P303 N307I273-V305 HydrophobicContact CD1-CG2 3.78Å; F297-V305 HydrophobicContact CD1-CG1 3.89Å; F297-V305 HydrophobicContact CE1-CG1 4.13Å; N302-V305 PolarHBondContact O-N 2.88Å; N302-V305 VanDerWaalsContact O-N 3.16Å; P303-V305 VanDerWaalsContact C-N 3.33Å; V305-N307 PolarHBondContact O-N 3.46Å
306Q50.8Low66.6Low154 Ų15478 Ų7872%0.7240%0.403SS*.  trans-48.1139.1160-63.9-177.415.600106.6T308Q306-T308 WeakPolarHBondContact O-CA 3.49Å; Q306-T308 WeakPolarHBondContact O-CB 3.43Å; Q306-T308 PolarHBondContact O-N 3.21Å; Q306-T308 PolarHBondContact O-OG1 2.8Å
307N49.5Very low67Low177 Ų17778 Ų7895%0.94740%0.403SS*.SBendtrans-48.956.7-166.6-65.7-43.8000116.5V305V305-N307 PolarHBondContact O-N 3.46Å
308T54.8Low67.7Low51 Ų5178.1 Ų78.131%0.31340%0.404SS..  trans-108115.5-170.1-47.40000105.5Q306 Y313Q306-T308 WeakPolarHBondContact O-CA 3.49Å; Q306-T308 WeakPolarHBondContact O-CB 3.43Å; Q306-T308 PolarHBondContact O-N 3.21Å; Q306-T308 PolarHBondContact O-OG1 2.8Å; T308-Y313 HydrophobicContact CG2-CD2 4.37Å; T308-Y313 HydrophobicContact CG2-CE2 3.63Å
309E64.1Low68.6Low120 Ų12073.3 Ų73.356%0.56139%0.387SS*.  trans-53.5144.8172.9-67.7-168172.900109.7K311 G312E309-K311 HydrophobicContact CB-CB 4.4Å; E309-K311 PolarHBondContact O-N 2.76Å; E309-K311 WeakPolarHBondContact OE2-CD 3.42Å; E309-K311 IonicContact OE2-NZ 3.19Å; E309-K311 PolarHBondContact OE2-NZ 3.48Å; E309-G312 PolarHBondContact O-N 2.88Å
310P70Confident70.4Confident17 Ų1772.9 Ų72.911%0.1138%0.381CS..G310 helixtrans-53.8-22.9177.720.5-32.2000112.8I293 F297 G312 Y313 F315I293-P310 HydrophobicContact CG2-CB 3.88Å; F297-P310 HydrophobicContact CD1-CB 4.45Å; F297-P310 HydrophobicContact CG-CB 4.4Å; P310-G312 PolarHBondContact O-N 2.94Å; P310-Y313 PolarHBondContact O-N 2.85Å; P310-F315 HydrophobicContact CB-CZ 4.21Å
311K73.1Confident72.7Confident159 Ų15967 Ų6769%0.69135%0.351SS*.G310 helixtrans-57.5-24.1175.3-63.7-178.2-171.8156.80114.8E309 Y313 Q349E309-K311 HydrophobicContact CB-CB 4.4Å; E309-K311 PolarHBondContact O-N 2.76Å; E309-K311 WeakPolarHBondContact OE2-CD 3.42Å; E309-K311 IonicContact OE2-NZ 3.19Å; E309-K311 PolarHBondContact OE2-NZ 3.48Å; K311-Y313 VanDerWaalsContact C-N 3.26Å; K311-Y313 PolarHBondContact O-N 3.29Å; K311-Q349 PolarHBondContact O-NE2 3.4Å
312G79.1Confident74.7Confident31 Ų3158.8 Ų58.832%0.3232%0.316SS..G310 helixtrans-77.6-8.7177.200000114.2E309 P310 Q349E309-G312 PolarHBondContact O-N 2.88Å; P310-G312 PolarHBondContact O-N 2.94Å; G312-Q349 PolarHBondContact O-N 3.03Å
313Y84.9Confident76.7Confident25 Ų2558.2 Ų58.210%0.09832%0.316CS..EExtended strand (participates in β ladder)trans-112.2156.9-174-68.3-91.8000112.4F297 T308 P310 K311 A346 R347 P348 Q349F297-Y313 AromaticContact CE1-CD2 4Å; F297-Y313 HydrophobicContact CE1-CD2 4Å; F297-Y313 HydrophobicContact CE1-CE2 4.1Å; F297-Y313 HydrophobicContact CZ-CD2 4.23Å; F297-Y313 HydrophobicContact CZ-CG 4.46Å; T308-Y313 HydrophobicContact CG2-CD2 4.37Å; T308-Y313 HydrophobicContact CG2-CE2 3.63Å; P310-Y313 PolarHBondContact O-N 2.85Å; K311-Y313 VanDerWaalsContact C-N 3.26Å; K311-Y313 PolarHBondContact O-N 3.29Å; Y313-A346 HydrophobicContact CD1-CB 3.86Å; Y313-A346 HydrophobicContact CG-CB 4.21Å; Y313-R347 CarbonylContact C-O 3.54Å; Y313-R347 VanDerWaalsContact CA-O 3.28Å; Y313-R347 WeakPolarHBondContact CA-O 3.13Å; Y313-R347 VanDerWaalsContact CD1-C 3.44Å; Y313-P348 HydrophobicContact CD1-CG 4.29Å; Y313-P348 HydrophobicContact CE1-CB 4.5Å; Y313-P348 HydrophobicContact CE1-CG 3.79Å; Y313-Q349 PolarHBondContact O-NE2 3.45Å
314L88.4Confident78.6Confident28 Ų2856.7 Ų56.715%0.14730%0.299CS..EExtended strand (participates in β ladder)trans-110137.4161.2-65.7175.3000108.8F316 A346 R347 Q349 S352L314-F316 HydrophobicContact CB-CE2 3.58Å; L314-F316 HydrophobicContact CB-CZ 3.69Å; L314-F316 HydrophobicContact CD1-CZ 4.14Å; L314-A346 WeakPolarHBondContact O-CA 3.25Å; L314-R347 PolarHBondContact N-O 3.22Å; L314-R347 PolarHBondContact O-N 3.28Å; L314-Q349 HydrophobicContact CD1-CG 4.32Å; L314-Q349 HydrophobicContact CD2-CG 4.06Å; L314-Q349 HydrophobicContact CG-CG 3.72Å; L314-S352 WeakPolarHBondContact CD1-OG 3.41Å
315F91.5Very high80.5Confident19 Ų1959.3 Ų59.38%0.08331%0.309CS..EExtended strand (participates in β ladder)trans-104.5125.6-176.7-59.7-77.6000110.6L258 I293 F297 P310 I344 V345 A346L258-F315 HydrophobicContact CD1-CD1 4.32Å; L258-F315 HydrophobicContact CD1-CE1 4.25Å; I293-F315 HydrophobicContact CD1-CB 4.22Å; I293-F315 HydrophobicContact CD1-CD1 4.01Å; I293-F315 HydrophobicContact CD1-CD2 3.48Å; I293-F315 VanDerWaalsContact CD1-CD2 3.48Å; I293-F315 HydrophobicContact CD1-CE1 4.28Å; I293-F315 HydrophobicContact CD1-CE2 3.79Å; I293-F315 HydrophobicContact CD1-CG 3.6Å; I293-F315 HydrophobicContact CD1-CZ 4.18Å; I293-F315 HydrophobicContact CG1-CD1 4.12Å; I293-F315 HydrophobicContact CG1-CD2 4.37Å; I293-F315 HydrophobicContact CG1-CE1 4.17Å; I293-F315 HydrophobicContact CG1-CE2 4.4Å; I293-F315 HydrophobicContact CG1-CG 4.23Å; I293-F315 HydrophobicContact CG1-CZ 4.3Å; I293-F315 HydrophobicContact CG2-CE1 3.9Å; I293-F315 HydrophobicContact CG2-CE2 3.87Å; I293-F315 HydrophobicContact CG2-CZ 3.44Å; I293-F315 VanDerWaalsContact CG2-CZ 3.44Å; F297-F315 AromaticContact CE2-CE1 3.44Å; F297-F315 HydrophobicContact CE2-CE1 3.44Å; F297-F315 VanDerWaalsContact CE2-CE1 3.44Å; F297-F315 AromaticContact CE2-CZ 3.71Å; F297-F315 HydrophobicContact CE2-CZ 3.71Å; F297-F315 AromaticContact CZ-CE1 3.75Å; F297-F315 HydrophobicContact CZ-CE1 3.75Å; F297-F315 AromaticContact CZ-CZ 3.89Å; F297-F315 HydrophobicContact CZ-CZ 3.89Å; P310-F315 HydrophobicContact CB-CZ 4.21Å; F315-I344 HydrophobicContact CB-CG2 4.17Å; F315-I344 HydrophobicContact CD1-CG2 4.05Å; F315-V345 CarbonylContact C-O 3.55Å; F315-V345 WeakPolarHBondContact CA-O 3.31Å; F315-A346 HydrophobicContact CD1-CB 3.85Å; F315-A346 HydrophobicContact CE1-CB 3.58Å
316F92.4Very high82.5Confident4 Ų459.2 Ų59.22%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-120.5137.7-177.8-57.2-85.4000111.4L314 I320 T321 V345 R347 R354L314-F316 HydrophobicContact CB-CE2 3.58Å; L314-F316 HydrophobicContact CB-CZ 3.69Å; L314-F316 HydrophobicContact CD1-CZ 4.14Å; F316-I320 WeakPolarHBondContact CA-O 3.07Å; F316-T321 HydrophobicContact CD1-CG2 3.86Å; F316-T321 HydrophobicContact CE1-CG2 3.62Å; F316-T321 HydrophobicContact CZ-CG2 4.33Å; F316-V345 HydrophobicContact CB-CB 4.39Å; F316-V345 PolarHBondContact N-O 3.06Å; F316-V345 PolarHBondContact O-N 2.97Å; F316-R347 HydrophobicContact CD2-CG 4.24Å; F316-R347 HydrophobicContact CE2-CB 4.06Å; F316-R347 HydrophobicContact CE2-CG 4.09Å; F316-R354 HydrophobicContact CE1-CB 4.12Å; F316-R354 HydrophobicContact CE1-CG 4.48Å; F316-R354 HydrophobicContact CZ-CB 4.28Å
317I95.7Very high84.7Confident3 Ų354 Ų542%0.01529%0.288CS..BIsolated β-bridgetrans-130.2125.9168.8-63.5164.8000106.5L289 G319 I320 L322 I331 L335 V342 I344L289-I317 HydrophobicContact CD1-CD1 4.49Å; I317-G319 PolarHBondContact O-N 2.81Å; I317-I320 PolarHBondContact N-O 3.09Å; I317-I320 WeakPolarHBondContact O-CG1 3.33Å; I317-I320 PolarHBondContact O-N 2.86Å; I317-L322 HydrophobicContact CD1-CD1 3.77Å; I317-I331 HydrophobicContact CD1-CG2 3.91Å; I317-L335 HydrophobicContact CG2-CB 3.97Å; I317-L335 HydrophobicContact CG2-CD1 4.42Å; I317-V342 HydrophobicContact CD1-CG1 3.99Å; I317-V342 HydrophobicContact CG1-CG1 4.4Å; I317-I344 HydrophobicContact CD1-CD1 4.4Å; I317-I344 HydrophobicContact CD1-CG1 4.01Å; I317-I344 HydrophobicContact CG1-CB 4.46Å; I317-I344 HydrophobicContact CG1-CG1 3.97Å
318H95.1Very high86.9Confident20 Ų2045.6 Ų45.69%0.09324%0.243CC..THydrogen-bonded Turntrans50.430.6-175-72.5-73.6000114.6V10 R42 I320 L335 Y337V10-H318 VanDerWaalsContact CG1-CE1 3.43Å; V10-H318 WeakPolarHBondContact CG1-CE1 3.35Å; V10-H318 VanDerWaalsContact CG1-NE2 3.34Å; V10-H318 WeakPolarHBondContact CG1-NE2 3.46Å; R42-H318 PolarHBondContact NE-O 3.16Å; H318-I320 VanDerWaalsContact C-N 3.34Å; H318-L335 PolarHBondContact CD2-O 3.17Å; H318-L335 VanDerWaalsContact CD2-O 3.25Å; H318-L335 PolarHBondContact NE2-O 3.47Å; H318-L335 VanDerWaalsContact NE2-O 3.14Å; H318-Y337 AromaticContact CD2-CE2 3.96Å; H318-Y337 AromaticContact CE1-CD1 3.7Å; H318-Y337 AromaticContact CE1-CD2 3.43Å; H318-Y337 VanDerWaalsContact CE1-CD2 3.43Å; H318-Y337 WeakPolarHBondContact CE1-CD2 3.47Å; H318-Y337 AromaticContact CE1-CE1 3.47Å; H318-Y337 VanDerWaalsContact CE1-CE1 3.47Å; H318-Y337 WeakPolarHBondContact CE1-CE1 3.42Å; H318-Y337 AromaticContact CE1-CE2 3.24Å; H318-Y337 WeakPolarHBondContact CE1-CE2 3.4Å; H318-Y337 AromaticContact CE1-CG 3.68Å; H318-Y337 AromaticContact CE1-CZ 3.26Å; H318-Y337 AromaticContact ND1-CE1 3.9Å; H318-Y337 AromaticContact ND1-CE2 3.74Å; H318-Y337 AromaticContact ND1-CZ 3.48Å; H318-Y337 AromaticContact NE2-CD2 3.38Å; H318-Y337 WeakPolarHBondContact NE2-CD2 3.26Å; H318-Y337 AromaticContact NE2-CE2 3.38Å; H318-Y337 WeakPolarHBondContact NE2-CE2 3.4Å; H318-Y337 AromaticContact NE2-CG 3.95Å; H318-Y337 AromaticContact NE2-CZ 3.9Å
319G91.8Very high88.9Confident21 Ų2143.5 Ų43.522%0.21623%0.23CC..THydrogen-bonded Turntrans83.90.8178.200000115.7D124 I317D124-G319 VanDerWaalsContact OD1-CA 3.3Å; D124-G319 WeakPolarHBondContact OD1-CA 3.49Å; D124-G319 WeakPolarHBondContact OD2-CA 3.36Å; D124-G319 PolarHBondContact OD2-N 3.37Å; I317-G319 PolarHBondContact O-N 2.81Å
320I92.7Very high90.3Very high70 Ų7041.1 Ų41.136%0.35922%0.216SC..BIsolated β-bridgetrans-113.3153.5177.661.9167.6000111.5F316 I317 H318 L322 I357F316-I320 WeakPolarHBondContact CA-O 3.07Å; I317-I320 PolarHBondContact N-O 3.09Å; I317-I320 WeakPolarHBondContact O-CG1 3.33Å; I317-I320 PolarHBondContact O-N 2.86Å; H318-I320 VanDerWaalsContact C-N 3.34Å; I320-L322 HydrophobicContact CD1-CD2 3.73Å; I320-L322 HydrophobicContact CG1-CD2 4.23Å; I320-I357 HydrophobicContact CG2-CD1 4.42Å
321T92.1Very high91.6Very high33 Ų3340.3 Ų40.320%0.20221%0.21CC..  trans-89.7140.7166.755.20000109.2F316F316-T321 HydrophobicContact CD1-CG2 3.86Å; F316-T321 HydrophobicContact CE1-CG2 3.62Å; F316-T321 HydrophobicContact CZ-CG2 4.33Å
322L92.4Very high92.7Very high25 Ų2532.8 Ų32.813%0.13118%0.177CC..  trans-108.4153.2175.6-58.6177.9000110.3L289 I317 I320 I331 L335L289-L322 HydrophobicContact CD2-CB 3.9Å; L289-L322 HydrophobicContact CD2-CD1 4.49Å; I317-L322 HydrophobicContact CD1-CD1 3.77Å; I320-L322 HydrophobicContact CD1-CD2 3.73Å; I320-L322 HydrophobicContact CG1-CD2 4.23Å; L322-I331 HydrophobicContact CD1-CD1 3.79Å; L322-I331 HydrophobicContact CD1-CG1 3.94Å; L322-L335 HydrophobicContact CD1-CD1 3.46Å; L322-L335 VanDerWaalsContact CD1-CD1 3.46Å; L322-L335 HydrophobicContact CD2-CD1 3.96Å; L322-L335 HydrophobicContact CG-CD1 4.31Å
323P93.7Very high93.5Very high50 Ų5033.4 Ų33.433%0.32517%0.172SC..  trans-53.8139.6165.2-23.333.7000110.6E325 T326P323-E325 PolarHBondContact O-N 3.44Å; P323-T326 VanDerWaalsContact O-CB 3.27Å; P323-T326 WeakPolarHBondContact O-CB 3.43Å; P323-T326 PolarHBondContact O-N 3.14Å; P323-T326 VanDerWaalsContact O-N 3.08Å; P323-T326 PolarHBondContact O-OG1 2.95Å
324H91.5Very high94Very high82 Ų8233.1 Ų33.138%0.3817%0.172SC..THydrogen-bonded Turntrans-67.1-23.1-173.3-74.4-155.4000112.3L289 Q290 T326L289-H324 WeakPolarHBondContact CB-O 3.49Å; L289-H324 PolarHBondContact N-O 2.74Å; Q290-H324 HydrophobicContact CB-CB 4.2Å; Q290-H324 PolarHBondContact N-O 3.14Å; Q290-H324 PolarHBondContact OE1-ND1 2.73Å; H324-T326 VanDerWaalsContact C-N 3.27Å; H324-T326 PolarHBondContact O-N 3.23Å
325E94.6Very high94.4Very high135 Ų13532 Ų3263%0.63117%0.166SC*.THydrogen-bonded Turntrans-81.3-5.7179-52.371.9-155.500112.4P323 P327P323-E325 PolarHBondContact O-N 3.44Å; E325-P327 WeakPolarHBondContact O-CD 3.35Å
326T95.2Very high94.7Very high20 Ų2031.6 Ų31.612%0.12317%0.165CC..  trans-61.2125.2-177.4-53.70000110.2L289 P323 H324 M328 W330 I331L289-T326 PolarHBondContact N-O 2.71Å; P323-T326 VanDerWaalsContact O-CB 3.27Å; P323-T326 WeakPolarHBondContact O-CB 3.43Å; P323-T326 PolarHBondContact O-N 3.14Å; P323-T326 VanDerWaalsContact O-N 3.08Å; P323-T326 PolarHBondContact O-OG1 2.95Å; H324-T326 VanDerWaalsContact C-N 3.27Å; H324-T326 PolarHBondContact O-N 3.23Å; T326-M328 PolarHBondContact O-N 2.68Å; T326-W330 HydrophobicContact CG2-CE3 3.88Å; T326-W330 HydrophobicContact CG2-CZ3 4.21Å; T326-I331 HydrophobicContact CG2-CD1 3.85Å; T326-I331 HydrophobicContact CG2-CG1 3.7Å
327P96.2Very high95Very high44 Ų4431.5 Ų31.529%0.28617%0.165SC..BIsolated β-bridgetrans-64.1131-178.2-25.435.2000113.4L286 E325 Q329 W330 I331L286-P327 HydrophobicContact CB-CB 4.04Å; L286-P327 HydrophobicContact CD1-CB 3.94Å; L286-P327 HydrophobicContact CD1-CG 4.17Å; E325-P327 WeakPolarHBondContact O-CD 3.35Å; P327-Q329 VanDerWaalsContact C-N 3.27Å; P327-Q329 PolarHBondContact O-N 3.45Å; P327-W330 HydrophobicContact CB-CB 4.32Å; P327-W330 PolarHBondContact O-N 3.22Å; P327-W330 VanDerWaalsContact O-N 3.09Å; P327-I331 WeakPolarHBondContact O-CG1 3.35Å; P327-I331 PolarHBondContact O-N 3.22Å
328M96.1Very high95.1Very high0 Ų031.7 Ų31.70%017%0.166CC..Hα-helixtrans-63.6-30.4179.3-75.2-61.6-57.400113.5I254 C256 T287 S288 L289 A292 T326 I331 S332I254-M328 HydrophobicContact CG1-CB 4.2Å; I254-M328 HydrophobicContact CG2-CE 3.84Å; C256-M328 HydrophobicContact CB-CE 4.36Å; T287-M328 WeakPolarHBondContact O-CB 3.35Å; T287-M328 PolarHBondContact O-N 2.83Å; S288-M328 WeakPolarHBondContact O-CG 3.42Å; L289-M328 HydrophobicContact CB-SD 4.34Å; L289-M328 HydrophobicContact CD1-SD 3.84Å; A292-M328 HydrophobicContact CB-CE 4.15Å; A292-M328 HydrophobicContact CB-CG 3.68Å; A292-M328 HydrophobicContact CB-SD 3.71Å; T326-M328 PolarHBondContact O-N 2.68Å; M328-I331 PolarHBondContact O-N 3.14Å; M328-I331 HydrophobicContact SD-CD1 3.81Å; M328-S332 WeakPolarHBondContact O-CB 3.29Å; M328-S332 PolarHBondContact O-N 3.12Å
329Q95.6Very high95.2Very high7 Ų730.8 Ų30.83%0.03316%0.162CC..Hα-helixtrans-58.7-48.8172.4-179.163.336.800110.6T250 F251 P279 L286 P327 S332 E333T250-Q329 HydrophobicContact CG2-CG 4.47Å; F251-Q329 VanDerWaalsContact CD2-NE2 3.33Å; F251-Q329 VanDerWaalsContact CE2-NE2 3.28Å; P279-Q329 HydrophobicContact CB-CB 4.34Å; L286-Q329 HydrophobicContact CD2-CB 4.21Å; P327-Q329 VanDerWaalsContact C-N 3.27Å; P327-Q329 PolarHBondContact O-N 3.45Å; Q329-S332 PolarHBondContact O-N 3.21Å; Q329-E333 PolarHBondContact NE2-OE1 2.76Å; Q329-E333 WeakPolarHBondContact O-CG 3.4Å; Q329-E333 PolarHBondContact O-N 3.16Å
330W95.1Very high95.5Very high71 Ų7129.9 Ų29.927%0.26915%0.152SC..Hα-helixtrans-66.2-40.5179-177.192.5000111.7D3 I6 T326 P327 S332 E333 H334 L335D3-W330 PolarHBondContact OD1-NE1 3.08Å; I6-W330 HydrophobicContact CD1-CH2 3.89Å; I6-W330 HydrophobicContact CD1-CZ2 3.54Å; I6-W330 HydrophobicContact CG2-CH2 4.44Å; T326-W330 HydrophobicContact CG2-CE3 3.88Å; T326-W330 HydrophobicContact CG2-CZ3 4.21Å; P327-W330 HydrophobicContact CB-CB 4.32Å; P327-W330 PolarHBondContact O-N 3.22Å; P327-W330 VanDerWaalsContact O-N 3.09Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.17Å; W330-E333 PolarHBondContact O-N 3.41Å; W330-H334 AromaticContact CD1-CE1 3.58Å; W330-H334 AromaticContact CD1-ND1 3.37Å; W330-H334 HydrophobicContact CD2-CB 4.46Å; W330-H334 AromaticContact CD2-ND1 3.79Å; W330-H334 AromaticContact CE2-CG 3.94Å; W330-H334 AromaticContact CE2-ND1 3.64Å; W330-H334 AromaticContact CG-ND1 3.64Å; W330-H334 HydrophobicContact CH2-CB 4.41Å; W330-H334 HydrophobicContact CZ2-CB 4.23Å; W330-H334 AromaticContact NE1-CE1 3.64Å; W330-H334 AromaticContact NE1-CG 3.96Å; W330-H334 AromaticContact NE1-ND1 3.37Å; W330-H334 PolarHBondContact NE1-ND1 3.44Å; W330-H334 WeakPolarHBondContact O-CB 3.41Å; W330-H334 PolarHBondContact O-N 3.5Å; W330-H334 PolarHBondContact O-ND1 3.21Å; W330-L335 HydrophobicContact CZ3-CD1 3.9Å; W330-L335 HydrophobicContact CZ3-CG 4.19Å
331I96.7Very high95.8Very high0 Ų026.5 Ų26.50%014%0.135CC..Hα-helixtrans-59.3-44.2174.6-65.6172000110.4L289 I317 L322 T326 P327 M328 E333 H334 L335 S336 V342L289-I331 HydrophobicContact CB-CD1 4.05Å; L289-I331 HydrophobicContact CD1-CD1 4.22Å; L289-I331 HydrophobicContact CD2-CD1 4.44Å; L289-I331 HydrophobicContact CG-CD1 4.47Å; I317-I331 HydrophobicContact CD1-CG2 3.91Å; L322-I331 HydrophobicContact CD1-CD1 3.79Å; L322-I331 HydrophobicContact CD1-CG1 3.94Å; T326-I331 HydrophobicContact CG2-CD1 3.85Å; T326-I331 HydrophobicContact CG2-CG1 3.7Å; P327-I331 WeakPolarHBondContact O-CG1 3.35Å; P327-I331 PolarHBondContact O-N 3.22Å; M328-I331 PolarHBondContact O-N 3.14Å; M328-I331 HydrophobicContact SD-CD1 3.81Å; I331-E333 PolarHBondContact O-N 2.99Å; I331-H334 PolarHBondContact O-N 2.89Å; I331-L335 HydrophobicContact CG2-CB 4.15Å; I331-L335 HydrophobicContact CG2-CD1 4.42Å; I331-L335 CarbonylContact O-C 3.51Å; I331-L335 WeakPolarHBondContact O-CA 3.18Å; I331-L335 WeakPolarHBondContact O-CB 3.3Å; I331-L335 PolarHBondContact O-N 3.17Å; I331-S336 PolarHBondContact O-N 2.99Å; I331-V342 HydrophobicContact CG2-CB 4.49Å; I331-V342 HydrophobicContact CG2-CG1 3.65Å; I331-V342 HydrophobicContact CG2-CG2 3.98Å
332S96.7Very high96Very high0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-66.4-37.2-179.5-169.80000112.7M328 Q329 W330 S336M328-S332 WeakPolarHBondContact O-CB 3.29Å; M328-S332 PolarHBondContact O-N 3.12Å; Q329-S332 PolarHBondContact O-N 3.21Å; W330-S332 VanDerWaalsContact C-N 3.31Å; W330-S332 PolarHBondContact O-N 3.17Å; S332-S336 WeakPolarHBondContact CA-OG 3.48Å; S332-S336 WeakPolarHBondContact O-CB 3.27Å; S332-S336 PolarHBondContact O-OG 3.24Å
333E95.3Very high96.3Very high44 Ų4423.9 Ų23.921%0.20612%0.12CC..Hα-helixtrans-70.1-38.7176-72.8171.4-163.100112.7P212 F251 Q329 W330 I331P212-E333 VanDerWaalsContact CG-OE1 3.28Å; P212-E333 WeakPolarHBondContact CG-OE1 3.26Å; F251-E333 HydrophobicContact CE2-CG 3.96Å; F251-E333 HydrophobicContact CZ-CG 3.76Å; Q329-E333 PolarHBondContact NE2-OE1 2.76Å; Q329-E333 WeakPolarHBondContact O-CG 3.4Å; Q329-E333 PolarHBondContact O-N 3.16Å; W330-E333 PolarHBondContact O-N 3.41Å; I331-E333 PolarHBondContact O-N 2.99Å
334H95.7Very high96.4Very high19 Ų1921.6 Ų21.69%0.08811%0.105CC..Hα-helixtrans-111.3-23.7-164.9-5992.7000116D3 I6 L7 W330 I331D3-H334 WeakPolarHBondContact CB-NE2 3.47Å; I6-H334 HydrophobicContact CG2-CB 4.43Å; L7-H334 HydrophobicContact CD2-CB 4.36Å; W330-H334 AromaticContact CD1-CE1 3.58Å; W330-H334 AromaticContact CD1-ND1 3.37Å; W330-H334 HydrophobicContact CD2-CB 4.46Å; W330-H334 AromaticContact CD2-ND1 3.79Å; W330-H334 AromaticContact CE2-CG 3.94Å; W330-H334 AromaticContact CE2-ND1 3.64Å; W330-H334 AromaticContact CG-ND1 3.64Å; W330-H334 HydrophobicContact CH2-CB 4.41Å; W330-H334 HydrophobicContact CZ2-CB 4.23Å; W330-H334 AromaticContact NE1-CE1 3.64Å; W330-H334 AromaticContact NE1-CG 3.96Å; W330-H334 AromaticContact NE1-ND1 3.37Å; W330-H334 PolarHBondContact NE1-ND1 3.44Å; W330-H334 WeakPolarHBondContact O-CB 3.41Å; W330-H334 PolarHBondContact O-N 3.5Å; W330-H334 PolarHBondContact O-ND1 3.21Å; I331-H334 PolarHBondContact O-N 2.89Å
335L97Very high96.4Very high6 Ų617.7 Ų17.73%0.0319%0.087CC..SBendtrans-124.111.9-173.7-59-179.4000112.9I6 V10 I317 H318 L322 W330 I331I6-L335 HydrophobicContact CG2-CD2 3.91Å; V10-L335 HydrophobicContact CG2-CD2 3.57Å; I317-L335 HydrophobicContact CG2-CB 3.97Å; I317-L335 HydrophobicContact CG2-CD1 4.42Å; H318-L335 PolarHBondContact CD2-O 3.17Å; H318-L335 VanDerWaalsContact CD2-O 3.25Å; H318-L335 PolarHBondContact NE2-O 3.47Å; H318-L335 VanDerWaalsContact NE2-O 3.14Å; L322-L335 HydrophobicContact CD1-CD1 3.46Å; L322-L335 VanDerWaalsContact CD1-CD1 3.46Å; L322-L335 HydrophobicContact CD2-CD1 3.96Å; L322-L335 HydrophobicContact CG-CD1 4.31Å; W330-L335 HydrophobicContact CZ3-CD1 3.9Å; W330-L335 HydrophobicContact CZ3-CG 4.19Å; I331-L335 HydrophobicContact CG2-CB 4.15Å; I331-L335 HydrophobicContact CG2-CD1 4.42Å; I331-L335 CarbonylContact O-C 3.51Å; I331-L335 WeakPolarHBondContact O-CA 3.18Å; I331-L335 WeakPolarHBondContact O-CB 3.3Å; I331-L335 PolarHBondContact O-N 3.17Å
336S97.5Very high96.3Very high10 Ų1011.3 Ų11.37%0.076%0.057CC..  trans-69.9148.6167.1-67.10000110.7I331 S332 F341 V342I331-S336 PolarHBondContact O-N 2.99Å; S332-S336 WeakPolarHBondContact CA-OG 3.48Å; S332-S336 WeakPolarHBondContact O-CB 3.27Å; S332-S336 PolarHBondContact O-OG 3.24Å; S336-F341 WeakPolarHBondContact CA-O 3.44Å; S336-V342 WeakPolarHBondContact OG-CG2 3.42Å
337Y98.2Very high95.8Very high2 Ų211.7 Ų11.71%0.0086%0.056CC..  trans-69.8168167-78.4-107.3000110.2R42 V43 P118 L121 H318 D339 N340 F341 H343R42-Y337 WeakPolarHBondContact O-CE1 3.24Å; V43-Y337 HydrophobicContact CG1-CD1 4.42Å; P118-Y337 HydrophobicContact CB-CD1 3.33Å; P118-Y337 HydrophobicContact CB-CE1 3.37Å; P118-Y337 HydrophobicContact CB-CG 4.32Å; P118-Y337 HydrophobicContact CG-CD1 3.62Å; P118-Y337 HydrophobicContact CG-CE1 4.06Å; P118-Y337 HydrophobicContact CG-CG 4.16Å; L121-Y337 PolarHBondContact N-OH 3.03Å; L121-Y337 VanDerWaalsContact N-OH 3.16Å; H318-Y337 AromaticContact CD2-CE2 3.96Å; H318-Y337 AromaticContact CE1-CD1 3.7Å; H318-Y337 AromaticContact CE1-CD2 3.43Å; H318-Y337 VanDerWaalsContact CE1-CD2 3.43Å; H318-Y337 WeakPolarHBondContact CE1-CD2 3.47Å; H318-Y337 AromaticContact CE1-CE1 3.47Å; H318-Y337 VanDerWaalsContact CE1-CE1 3.47Å; H318-Y337 WeakPolarHBondContact CE1-CE1 3.42Å; H318-Y337 AromaticContact CE1-CE2 3.24Å; H318-Y337 WeakPolarHBondContact CE1-CE2 3.4Å; H318-Y337 AromaticContact CE1-CG 3.68Å; H318-Y337 AromaticContact CE1-CZ 3.26Å; H318-Y337 AromaticContact ND1-CE1 3.9Å; H318-Y337 AromaticContact ND1-CE2 3.74Å; H318-Y337 AromaticContact ND1-CZ 3.48Å; H318-Y337 AromaticContact NE2-CD2 3.38Å; H318-Y337 WeakPolarHBondContact NE2-CD2 3.26Å; H318-Y337 AromaticContact NE2-CE2 3.38Å; H318-Y337 WeakPolarHBondContact NE2-CE2 3.4Å; H318-Y337 AromaticContact NE2-CG 3.95Å; H318-Y337 AromaticContact NE2-CZ 3.9Å; Y337-D339 VanDerWaalsContact CB-OD1 3.24Å; Y337-D339 WeakPolarHBondContact CB-OD1 3.42Å; Y337-D339 PolarHBondContact O-N 2.82Å; Y337-N340 WeakPolarHBondContact O-CA 3.46Å; Y337-N340 PolarHBondContact O-N 2.94Å; Y337-F341 PolarHBondContact N-O 3.23Å; Y337-H343 HydrophobicContact CD2-CB 4.15Å; Y337-H343 AromaticContact CD2-CD2 3.4Å; Y337-H343 VanDerWaalsContact CD2-CD2 3.4Å; Y337-H343 WeakPolarHBondContact CD2-CD2 2.86Å; Y337-H343 HydrophobicContact CE2-CB 3.94Å; Y337-H343 AromaticContact CE2-CD2 3.93Å; Y337-H343 AromaticContact CG-CD2 3.67Å
338P97.8Very high95.2Very high6 Ų69.7 Ų9.74%0.0394%0.043CC..THydrogen-bonded Turntrans-57.8-20.7179.4-28.437.5000114.2W11 V43 F162 L194 F202 N340W11-P338 HydrophobicContact CE3-CG 4.37Å; W11-P338 HydrophobicContact CZ3-CB 4.41Å; W11-P338 HydrophobicContact CZ3-CG 3.96Å; V43-P338 HydrophobicContact CB-CG 3.69Å; V43-P338 HydrophobicContact CG1-CG 4.38Å; V43-P338 HydrophobicContact CG2-CG 4.26Å; F162-P338 HydrophobicContact CE2-CB 3.94Å; F162-P338 WeakPolarHBondContact CE2-O 3.25Å; F162-P338 HydrophobicContact CZ-CB 4.32Å; L194-P338 HydrophobicContact CD1-CB 4.11Å; L194-P338 HydrophobicContact CD1-CG 3.95Å; F202-P338 HydrophobicContact CE1-CB 4.17Å; F202-P338 HydrophobicContact CE2-CB 3.99Å; F202-P338 HydrophobicContact CZ-CB 3.62Å; F202-P338 WeakPolarHBondContact CZ-O 3.28Å; P338-N340 PolarHBondContact O-N 2.95Å; P338-N340 PolarHBondContact O-ND2 2.9Å
339D97.6Very high94.3Very high2 Ų214.3 Ų14.31%0.0117%0.065CC..THydrogen-bonded Turntrans-76.42.8174.968.7-4.2000113.4F162 M165 Y337 F341 H343F162-D339 HydrophobicContact CD2-CB 4.19Å; F162-D339 HydrophobicContact CE2-CB 4.25Å; M165-D339 HydrophobicContact CB-CB 3.88Å; Y337-D339 VanDerWaalsContact CB-OD1 3.24Å; Y337-D339 WeakPolarHBondContact CB-OD1 3.42Å; Y337-D339 PolarHBondContact O-N 2.82Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 2.99Å; D339-F341 PolarHBondContact OD1-N 2.93Å; D339-H343 IonicContact OD1-NE2 2.71Å; D339-H343 IonicContact OD2-CD2 3.18Å; D339-H343 IonicContact OD2-CE1 3.45Å; D339-H343 IonicContact OD2-NE2 2.82Å; D339-H343 PolarHBondContact OD2-NE2 3.35Å
340N98.1Very high93Very high1 Ų118 Ų181%0.0059%0.092CC..SBendtrans67.715.7-179.5-72.4-106.4000115A169 K173 N206 M210 Y337 P338A169-N340 HydrophobicContact CB-CB 3.48Å; A169-N340 VanDerWaalsContact CB-CB 3.48Å; K173-N340 PolarHBondContact NZ-OD1 3.02Å; N206-N340 PolarHBondContact OD1-ND2 2.71Å; N206-N340 PolarHBondContact OD1-OD1 3.1Å; M210-N340 HydrophobicContact CE-CB 4.24Å; M210-N340 WeakPolarHBondContact CE-OD1 3.45Å; M210-N340 PolarHBondContact SD-OD1 3.37Å; Y337-N340 WeakPolarHBondContact O-CA 3.46Å; Y337-N340 PolarHBondContact O-N 2.94Å; P338-N340 PolarHBondContact O-N 2.95Å; P338-N340 PolarHBondContact O-ND2 2.9Å
341F98.3Very high91.4Very high0 Ų018.7 Ų18.70%010%0.097CC..  trans-103.2142.6172.8-87-98.6000112.3M165 E168 A169 L172 P255 R257 S336 Y337 D339M165-F341 HydrophobicContact CE-CB 4.34Å; M165-F341 HydrophobicContact CE-CD1 4.38Å; M165-F341 HydrophobicContact CE-CD2 3.15Å; M165-F341 HydrophobicContact CE-CE2 3.33Å; M165-F341 HydrophobicContact CE-CG 3.72Å; M165-F341 HydrophobicContact CE-CZ 4.05Å; M165-F341 WeakPolarHBondContact O-CE2 3.48Å; E168-F341 HydrophobicContact CB-CE2 4.17Å; E168-F341 HydrophobicContact CB-CZ 4.27Å; E168-F341 HydrophobicContact CG-CE2 4.31Å; E168-F341 HydrophobicContact CG-CZ 3.9Å; A169-F341 HydrophobicContact CB-CD2 3.8Å; A169-F341 HydrophobicContact CB-CE2 3.62Å; A169-F341 HydrophobicContact CB-CZ 4.48Å; L172-F341 HydrophobicContact CD1-CE1 4.32Å; L172-F341 HydrophobicContact CD1-CZ 4.2Å; P255-F341 HydrophobicContact CB-CD1 3.75Å; P255-F341 HydrophobicContact CB-CD2 4.19Å; P255-F341 HydrophobicContact CB-CE1 3.77Å; P255-F341 HydrophobicContact CB-CE2 4.22Å; P255-F341 HydrophobicContact CB-CG 3.98Å; P255-F341 HydrophobicContact CB-CZ 4.02Å; R257-F341 HydrophobicContact CG-CD1 3.9Å; R257-F341 HydrophobicContact CG-CE1 4.15Å; S336-F341 WeakPolarHBondContact CA-O 3.44Å; Y337-F341 PolarHBondContact N-O 3.23Å; D339-F341 VanDerWaalsContact C-N 3.26Å; D339-F341 PolarHBondContact O-N 2.99Å; D339-F341 PolarHBondContact OD1-N 2.93Å
342V97.8Very high89.6Confident0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-84.2114.7164-176.60000108P255 C256 R257 I317 I331 S336 I344P255-V342 PolarHBondContact O-N 2.87Å; C256-V342 WeakPolarHBondContact CA-O 3.35Å; C256-V342 HydrophobicContact CB-CB 4.37Å; R257-V342 PolarHBondContact N-O 3.27Å; I317-V342 HydrophobicContact CD1-CG1 3.99Å; I317-V342 HydrophobicContact CG1-CG1 4.4Å; I331-V342 HydrophobicContact CG2-CB 4.49Å; I331-V342 HydrophobicContact CG2-CG1 3.65Å; I331-V342 HydrophobicContact CG2-CG2 3.98Å; S336-V342 WeakPolarHBondContact OG-CG2 3.42Å; V342-I344 HydrophobicContact CG1-CD1 4.37Å; V342-I344 HydrophobicContact CG1-CG1 3.88Å
343H97.4Very high87.6Confident3 Ų325.9 Ų25.91%0.01413%0.133CC..EExtended strand (participates in β ladder)trans-101107.2177.1-61.9-60.4000109.8L121 Y259 Y337 D339L121-H343 HydrophobicContact CD1-CB 4.02Å; L121-H343 HydrophobicContact CD2-CB 4.02Å; L121-H343 HydrophobicContact CG-CB 4.41Å; Y259-H343 HydrophobicContact CD2-CB 4.45Å; Y259-H343 HydrophobicContact CE2-CB 3.82Å; Y259-H343 AromaticContact CE2-CG 3.99Å; Y259-H343 AromaticContact CE2-ND1 3.45Å; Y259-H343 WeakPolarHBondContact CE2-ND1 3.26Å; Y259-H343 AromaticContact CZ-ND1 3.67Å; Y259-H343 PolarHBondContact OH-ND1 2.61Å; Y259-H343 VanDerWaalsContact OH-ND1 3.08Å; Y337-H343 HydrophobicContact CD2-CB 4.15Å; Y337-H343 AromaticContact CD2-CD2 3.4Å; Y337-H343 VanDerWaalsContact CD2-CD2 3.4Å; Y337-H343 WeakPolarHBondContact CD2-CD2 2.86Å; Y337-H343 HydrophobicContact CE2-CB 3.94Å; Y337-H343 AromaticContact CE2-CD2 3.93Å; Y337-H343 AromaticContact CG-CD2 3.67Å; D339-H343 IonicContact OD1-NE2 2.71Å; D339-H343 IonicContact OD2-CD2 3.18Å; D339-H343 IonicContact OD2-CE1 3.45Å; D339-H343 IonicContact OD2-NE2 2.82Å; D339-H343 PolarHBondContact OD2-NE2 3.35Å
344I95.3Very high85.6Confident1 Ų125.1 Ų25.11%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-100.7121.9-178.7-52-176.7000109.3C256 R257 L258 Y259 L289 F315 I317 V342C256-I344 WeakPolarHBondContact SG-CD1 3.43Å; R257-I344 PolarHBondContact O-N 3.02Å; L258-I344 CarbonylContact C-O 3.49Å; L258-I344 WeakPolarHBondContact CA-O 3.39Å; L258-I344 HydrophobicContact CD1-CB 4.23Å; L258-I344 HydrophobicContact CD1-CG2 3.99Å; Y259-I344 WeakPolarHBondContact CD2-O 3.37Å; Y259-I344 PolarHBondContact N-O 2.97Å; L289-I344 HydrophobicContact CD1-CD1 3.9Å; F315-I344 HydrophobicContact CB-CG2 4.17Å; F315-I344 HydrophobicContact CD1-CG2 4.05Å; I317-I344 HydrophobicContact CD1-CD1 4.4Å; I317-I344 HydrophobicContact CD1-CG1 4.01Å; I317-I344 HydrophobicContact CG1-CB 4.46Å; I317-I344 HydrophobicContact CG1-CG1 3.97Å; V342-I344 HydrophobicContact CG1-CD1 4.37Å; V342-I344 HydrophobicContact CG1-CG1 3.88Å
345V93.1Very high83.1Confident1 Ų131.2 Ų31.21%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-98.8124.1174-179.20000109.9L121 D124 M125 V261 F315 F316 R347L121-V345 HydrophobicContact CD1-CG2 3.37Å; D124-V345 HydrophobicContact CB-CB 4.32Å; D124-V345 HydrophobicContact CB-CG2 3.83Å; M125-V345 HydrophobicContact CB-CG1 4.49Å; M125-V345 HydrophobicContact CG-CG1 3.93Å; M125-V345 HydrophobicContact CG-CG2 3.74Å; V261-V345 HydrophobicContact CG2-CG1 3.91Å; F315-V345 CarbonylContact C-O 3.55Å; F315-V345 WeakPolarHBondContact CA-O 3.31Å; F316-V345 HydrophobicContact CB-CB 4.39Å; F316-V345 PolarHBondContact N-O 3.06Å; F316-V345 PolarHBondContact O-N 2.97Å; V345-R347 HydrophobicContact CG1-CG 3.88Å
346A90.7Very high80.7Confident0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-99.3114.3169.900000109.8L258 Y259 V261 F297 Y313 L314 F315L258-A346 HydrophobicContact CD1-CB 3.92Å; Y259-A346 PolarHBondContact O-N 3.13Å; V261-A346 PolarHBondContact N-O 3.25Å; F297-A346 HydrophobicContact CZ-CB 4.14Å; Y313-A346 HydrophobicContact CD1-CB 3.86Å; Y313-A346 HydrophobicContact CG-CB 4.21Å; L314-A346 WeakPolarHBondContact O-CA 3.25Å; F315-A346 HydrophobicContact CD1-CB 3.85Å; F315-A346 HydrophobicContact CE1-CB 3.58Å
347R85.7Confident78.3Confident29 Ų2942 Ų4211%0.10921%0.21CC..EExtended strand (participates in β ladder)trans-110.5138.5172.8-59.4-170.179.7157.8-3.9111.4D124 A127 V261 Y313 L314 F316 V345 Q349D124-R347 WeakPolarHBondContact O-CD 3.48Å; D124-R347 PolarHBondContact O-NH1 2.96Å; D124-R347 VanDerWaalsContact O-NH1 3.12Å; A127-R347 PolarHBondContact O-NH1 3.2Å; V261-R347 HydrophobicContact CB-CG 4.3Å; V261-R347 HydrophobicContact CG2-CG 4Å; Y313-R347 CarbonylContact C-O 3.54Å; Y313-R347 VanDerWaalsContact CA-O 3.28Å; Y313-R347 WeakPolarHBondContact CA-O 3.13Å; Y313-R347 VanDerWaalsContact CD1-C 3.44Å; L314-R347 PolarHBondContact N-O 3.22Å; L314-R347 PolarHBondContact O-N 3.28Å; F316-R347 HydrophobicContact CD2-CG 4.24Å; F316-R347 HydrophobicContact CE2-CB 4.06Å; F316-R347 HydrophobicContact CE2-CG 4.09Å; V345-R347 HydrophobicContact CG1-CG 3.88Å; R347-Q349 PolarHBondContact O-N 3.41Å
348P82.5Confident75.6Confident2 Ų248.4 Ų48.41%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-55.6135.8172.7-23.533.1000110.8V261 E263 Y313 S350 H351 S352V261-P348 VanDerWaalsContact O-CD 3.31Å; V261-P348 WeakPolarHBondContact O-CD 3.46Å; E263-P348 HydrophobicContact CG-CB 3.9Å; E263-P348 HydrophobicContact CG-CG 3.61Å; Y313-P348 HydrophobicContact CD1-CG 4.29Å; Y313-P348 HydrophobicContact CE1-CB 4.5Å; Y313-P348 HydrophobicContact CE1-CG 3.79Å; P348-S350 WeakPolarHBondContact CB-OG 3.29Å; P348-S350 PolarHBondContact O-N 3.43Å; P348-H351 PolarHBondContact O-N 2.85Å; P348-S352 PolarHBondContact O-N 2.89Å
349Q78.1Confident72.9Confident97 Ų9753.6 Ų53.645%0.45326%0.263SS..G310 helixtrans-57.4-33178-80.6177.319.400112.2K311 G312 Y313 L314 R347 H351 S352K311-Q349 PolarHBondContact O-NE2 3.4Å; G312-Q349 PolarHBondContact O-N 3.03Å; Y313-Q349 PolarHBondContact O-NE2 3.45Å; L314-Q349 HydrophobicContact CD1-CG 4.32Å; L314-Q349 HydrophobicContact CD2-CG 4.06Å; L314-Q349 HydrophobicContact CG-CG 3.72Å; R347-Q349 PolarHBondContact O-N 3.41Å; Q349-H351 PolarHBondContact O-N 3.16Å; Q349-H351 VanDerWaalsContact O-N 3.14Å; Q349-S352 PolarHBondContact O-N 2.64Å
350S68.6Low70.2Confident85 Ų8557.6 Ų57.659%0.59429%0.288SS*.G310 helixtrans-56.4-26.1175.251.50000113.9P348P348-S350 WeakPolarHBondContact CB-OG 3.29Å; P348-S350 PolarHBondContact O-N 3.43Å
351H62Low67.2Low84 Ų8466.3 Ų66.339%0.38935%0.35SS..G310 helixtrans-109.80.7-175.2-69.682.3000113.7E263 P348 Q349E263-H351 PolarHBondContact O-CE1 3.14Å; E263-H351 PolarHBondContact O-NE2 3.32Å; P348-H351 PolarHBondContact O-N 2.85Å; Q349-H351 PolarHBondContact O-N 3.16Å; Q349-H351 VanDerWaalsContact O-N 3.14Å
352S58.4Low65.7Low22 Ų2269.7 Ų69.715%0.15437%0.367CS..  trans-102.298.6-175-1770000111.7L314 P348 Q349 R354L314-S352 WeakPolarHBondContact CD1-OG 3.41Å; P348-S352 PolarHBondContact O-N 2.89Å; Q349-S352 PolarHBondContact O-N 2.64Å; S352-R354 PolarHBondContact O-N 2.81Å; S352-R354 PolarHBondContact OG-N 3.27Å
353H54.5Low64Low129 Ų12973.3 Ų73.360%0.59739%0.387SS*.  trans-80.49.8166.2-59.4-60.1000113.1M130M130-H353 HydrophobicContact CG-CB 4.06Å
354R53.6Low62.1Low29 Ų2977.2 Ų77.211%0.10941%0.407CS..SBendtrans-74.9131.7-179.6-73.5-176.5-174.6-160.22.6110.6D124 T129 F316 S352 K356D124-R354 IonicContact OD1-CZ 3.76Å; D124-R354 IonicContact OD1-NH1 2.82Å; D124-R354 PolarHBondContact OD1-NH1 3.37Å; D124-R354 IonicContact OD1-NH2 2.9Å; D124-R354 PolarHBondContact OD1-NH2 3.19Å; T129-R354 HydrophobicContact CG2-CG 4.08Å; T129-R354 WeakPolarHBondContact OG1-CG 3.29Å; T129-R354 PolarHBondContact OG1-NE 2.86Å; F316-R354 HydrophobicContact CE1-CB 4.12Å; F316-R354 HydrophobicContact CE1-CG 4.48Å; F316-R354 HydrophobicContact CZ-CB 4.28Å; S352-R354 PolarHBondContact O-N 2.81Å; S352-R354 PolarHBondContact OG-N 3.27Å; R354-K356 PolarHBondContact O-N 3.44Å; R354-K356 VanDerWaalsContact O-N 3.16Å
355I43.7Very low60.2Low147 Ų14781.7 Ų81.775%0.75443%0.431SS*.  trans-51.7117.2174.3-60.8167.8000108.5I357I355-I357 PolarHBondContact O-N 2.89Å; I355-I357 VanDerWaalsContact O-N 3.13Å
356K45.9Very low58.1Low116 Ų11686.8 Ų86.850%0.50446%0.458SS..  trans-61.8112.4164.5-69.7-173.2179.9-177.30107R354 Y358 D359R354-K356 PolarHBondContact O-N 3.44Å; R354-K356 VanDerWaalsContact O-N 3.16Å; K356-Y358 PolarHBondContact O-N 3.42Å; K356-D359 IonicContact NZ-OD1 3.53Å; K356-D359 PolarHBondContact NZ-OD1 3.27Å
357I47.7Very low55.9Low125 Ų12592.5 Ų92.564%0.64149%0.488SS*.SBendtrans-76.4-12.1174.6-62.7173.9000110.2I320 I355I320-I357 HydrophobicContact CG2-CD1 4.42Å; I355-I357 PolarHBondContact O-N 2.89Å; I355-I357 VanDerWaalsContact O-N 3.13Å
358Y41Very low53.8Low138 Ų13897.1 Ų97.154%0.54152%0.515SS..  trans-143126.7176.7-164.3-106000109.6K356 P360K356-Y358 PolarHBondContact O-N 3.42Å; Y358-P360 HydrophobicContact CD1-CB 4.28Å; Y358-P360 HydrophobicContact CD1-CG 4.41Å; Y358-P360 HydrophobicContact CE1-CB 3.9Å; Y358-P360 HydrophobicContact CE1-CG 4.5Å
359D40.2Very low51.6Low115 Ų115104.4 Ų104.462%0.61555%0.554SS**  trans-108.8107.7166.7-151.422.8000106K356 S361K356-D359 IonicContact NZ-OD1 3.53Å; K356-D359 PolarHBondContact NZ-OD1 3.27Å; D359-S361 PolarHBondContact O-N 2.86Å; D359-S361 VanDerWaalsContact O-N 3.14Å
360P42.2Very low49.4Very low85 Ų85105 Ų10555%0.55256%0.562SS**  trans-74.8101.9170.425.7-21.5000107Y358Y358-P360 HydrophobicContact CD1-CB 4.28Å; Y358-P360 HydrophobicContact CD1-CG 4.41Å; Y358-P360 HydrophobicContact CE1-CB 3.9Å; Y358-P360 HydrophobicContact CE1-CG 4.5Å
361S34.5Very low47.6Very low185 Ų185106.8 Ų106.8100%1.29456%0.559SS**  trans-680163.956.20000111.4D359D359-S361 PolarHBondContact O-N 2.86Å; D359-S361 VanDerWaalsContact O-N 3.14Å

Retrieved 361 of 361 residues in 99.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).