A0A077Z4N8_TRITR Loading...

Exonuclease 1

5'->3' double-stranded DNA exonuclease which may also possess a cryptic 3'->5' double-stranded DNA exonuclease activity. Functions in DNA mismatch repair.

AlphaFold DB , UniProt , Accession A0A077Z4N8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.4Low86.5Confident191 Ų19160.6 Ų60.694%0.94133%0.329SS*.  01780-67.2-174-71.200107.3K343M1-K343 PolarHBondContact SD-NZ 2.79Å
2G77.3Confident87Confident10 Ų1062.3 Ų62.310%0.10335%0.345CS..  trans81-164.417800000115.5K4 D134 D187G2-K4 PolarHBondContact O-N 3.46Å; G2-D134 WeakPolarHBondContact CA-OD1 3.18Å; G2-D134 WeakPolarHBondContact CA-OD2 3.44Å; G2-D187 VanDerWaalsContact CA-OD2 3.28Å; G2-D187 WeakPolarHBondContact CA-OD2 3.32Å; G2-D187 VanDerWaalsContact N-CG 3.33Å; G2-D187 PolarHBondContact N-OD1 3.45Å; G2-D187 VanDerWaalsContact N-OD1 3.1Å; G2-D187 PolarHBondContact N-OD2 3.26Å
3I87.8Confident87.5Confident7 Ų757.5 Ų57.54%0.03632%0.319CS..SBendtrans-81.2111-169.6-61147.1000112A5 L6 D134 P137 C181 S184 C186I3-A5 PolarHBondContact O-N 3.09Å; I3-L6 HydrophobicContact CB-CB 4.1Å; I3-L6 HydrophobicContact CB-CD2 4.03Å; I3-L6 HydrophobicContact CD1-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CB 3.9Å; I3-L6 HydrophobicContact CG2-CD1 4.49Å; I3-L6 HydrophobicContact CG2-CD2 4.25Å; I3-L6 HydrophobicContact CG2-CG 4.45Å; I3-L6 WeakPolarHBondContact O-CB 3.1Å; I3-L6 PolarHBondContact O-N 2.69Å; I3-D134 PolarHBondContact N-OD1 3.25Å; I3-P137 HydrophobicContact CD1-CB 4.49Å; I3-P137 HydrophobicContact CD1-CG 3.56Å; I3-C181 HydrophobicContact CD1-CB 3.57Å; I3-C181 HydrophobicContact CG1-CB 4.34Å; I3-C181 HydrophobicContact CG2-CB 4.5Å; I3-S184 VanDerWaalsContact CG2-OG 3.3Å; I3-S184 WeakPolarHBondContact CG2-OG 3.5Å; I3-C186 HydrophobicContact CD1-CB 4.42Å; I3-C186 HydrophobicContact CG1-CB 3.83Å
4K87.4Confident88.1Confident176 Ų17654.8 Ų54.877%0.76531%0.306SS*.THydrogen-bonded Turntrans-61.8132.8-177.2-65.2-178.1-176.5174.30111.7G2 L6G2-K4 PolarHBondContact O-N 3.46Å; K4-L6 PolarHBondContact O-N 3.41Å
5A89.4Confident88.6Confident65 Ų6556.3 Ų56.354%0.53731%0.308SS..THydrogen-bonded Turntrans60.222.8177.700000115.1I3 P8I3-A5 PolarHBondContact O-N 3.09Å; A5-P8 WeakPolarHBondContact O-CD 3.48Å
6L93.1Very high89.1Confident1 Ų159.3 Ų59.31%0.00533%0.33CS..Hα-helixtrans-66.5-49.6174.3-17556.4000112.4I3 K4 V9 V10 F177 I197I3-L6 HydrophobicContact CB-CB 4.1Å; I3-L6 HydrophobicContact CB-CD2 4.03Å; I3-L6 HydrophobicContact CD1-CD2 3.95Å; I3-L6 HydrophobicContact CG2-CB 3.9Å; I3-L6 HydrophobicContact CG2-CD1 4.49Å; I3-L6 HydrophobicContact CG2-CD2 4.25Å; I3-L6 HydrophobicContact CG2-CG 4.45Å; I3-L6 WeakPolarHBondContact O-CB 3.1Å; I3-L6 PolarHBondContact O-N 2.69Å; K4-L6 PolarHBondContact O-N 3.41Å; L6-V9 WeakPolarHBondContact O-CA 3.37Å; L6-V9 WeakPolarHBondContact O-CB 3.47Å; L6-V9 PolarHBondContact O-N 3.17Å; L6-V10 HydrophobicContact CD1-CG1 3.85Å; L6-V10 HydrophobicContact CG-CG1 4.19Å; L6-V10 PolarHBondContact O-N 3.19Å; L6-F177 HydrophobicContact CD1-CE2 4.36Å; L6-F177 HydrophobicContact CD1-CZ 3.9Å; L6-I197 HydrophobicContact CD1-CD1 4.4Å; L6-I197 HydrophobicContact CD1-CG1 4.43Å
7F90Very high89.6Confident35 Ų3556.3 Ų56.315%0.15432%0.315CS..Hα-helixtrans-49.7-50.3-178.5-95.2-69.1000113.8V9 V10 N11 S133 F145F7-V9 PolarHBondContact O-N 3.19Å; F7-V9 VanDerWaalsContact O-N 3.17Å; F7-V10 HydrophobicContact CD1-CG2 4.4Å; F7-V10 WeakPolarHBondContact O-CG2 3.43Å; F7-V10 PolarHBondContact O-N 3.25Å; F7-V10 VanDerWaalsContact O-N 3.17Å; F7-N11 WeakPolarHBondContact O-CB 3.24Å; F7-N11 PolarHBondContact O-N 2.95Å; F7-S133 VanDerWaalsContact CE2-CB 3.48Å; F7-F145 HydrophobicContact CE1-CB 3.85Å; F7-F145 HydrophobicContact CE1-CD1 4.3Å; F7-F145 AromaticContact CE1-CD2 3.66Å; F7-F145 HydrophobicContact CE1-CD2 3.66Å; F7-F145 HydrophobicContact CE1-CE2 4.25Å; F7-F145 AromaticContact CE1-CG 3.68Å; F7-F145 HydrophobicContact CE1-CG 3.68Å; F7-F145 HydrophobicContact CZ-CB 3.84Å; F7-F145 AromaticContact CZ-CD1 3.72Å; F7-F145 HydrophobicContact CZ-CD1 3.72Å; F7-F145 AromaticContact CZ-CD2 3.93Å; F7-F145 HydrophobicContact CZ-CD2 3.93Å; F7-F145 HydrophobicContact CZ-CE1 4.25Å; F7-F145 HydrophobicContact CZ-CE2 4.4Å; F7-F145 AromaticContact CZ-CG 3.56Å; F7-F145 HydrophobicContact CZ-CG 3.56Å
8P91.2Very high90Very high85 Ų8556.7 Ų56.755%0.55231%0.313SS*.Hα-helixtrans-57.3-28.2175.6-2835.2000115.1A5A5-P8 WeakPolarHBondContact O-CD 3.48Å
9V92.8Very high90.1Very high13 Ų1356.4 Ų56.48%0.07931%0.313CS..Hα-helixtrans-77.8-42.9176.6176.30000110.9L6 F7 P12 A164 L165 I197 I201L6-V9 WeakPolarHBondContact O-CA 3.37Å; L6-V9 WeakPolarHBondContact O-CB 3.47Å; L6-V9 PolarHBondContact O-N 3.17Å; F7-V9 PolarHBondContact O-N 3.19Å; F7-V9 VanDerWaalsContact O-N 3.17Å; V9-P12 WeakPolarHBondContact O-CD 3.47Å; V9-A164 WeakPolarHBondContact O-CB 3.15Å; V9-L165 HydrophobicContact CG1-CD2 4.15Å; V9-I197 HydrophobicContact CG2-CG1 4.24Å; V9-I197 HydrophobicContact CG2-CG2 3.71Å; V9-I201 HydrophobicContact CG1-CD1 3.73Å
10V93.2Very high90.3Very high0 Ų057.4 Ų57.40%032%0.324CS..Hα-helixtrans-87.3-10.4-176.1-57.10000113.8L6 F7 P12 A13 I136 L161 F177L6-V10 HydrophobicContact CD1-CG1 3.85Å; L6-V10 HydrophobicContact CG-CG1 4.19Å; L6-V10 PolarHBondContact O-N 3.19Å; F7-V10 HydrophobicContact CD1-CG2 4.4Å; F7-V10 WeakPolarHBondContact O-CG2 3.43Å; F7-V10 PolarHBondContact O-N 3.25Å; F7-V10 VanDerWaalsContact O-N 3.17Å; V10-P12 VanDerWaalsContact C-N 3.29Å; V10-P12 VanDerWaalsContact O-N 3.15Å; V10-A13 WeakPolarHBondContact O-CA 3.43Å; V10-A13 VanDerWaalsContact O-CB 3.31Å; V10-A13 WeakPolarHBondContact O-CB 3.25Å; V10-A13 PolarHBondContact O-N 2.82Å; V10-I136 HydrophobicContact CB-CD1 4.21Å; V10-I136 HydrophobicContact CG1-CD1 4.19Å; V10-I136 HydrophobicContact CG1-CG2 4.5Å; V10-I136 HydrophobicContact CG2-CD1 3.68Å; V10-L161 HydrophobicContact CB-CD1 4.23Å; V10-L161 HydrophobicContact CG1-CD1 3.76Å; V10-F177 HydrophobicContact CG1-CE2 4.21Å; V10-F177 HydrophobicContact CG1-CZ 3.84Å
11N91.5Very high90.4Very high84 Ų8459.1 Ų59.145%0.44933%0.329SS..G310 helixtrans-50.6-37.8-177.8-167.966.7000114.4F7 A13 C14F7-N11 WeakPolarHBondContact O-CB 3.24Å; F7-N11 PolarHBondContact O-N 2.95Å; N11-A13 PolarHBondContact O-N 3.16Å; N11-C14 WeakPolarHBondContact O-CA 3.45Å; N11-C14 VanDerWaalsContact O-CB 3.32Å; N11-C14 WeakPolarHBondContact O-CB 3.19Å; N11-C14 PolarHBondContact O-N 2.76Å
12P92.5Very high92Very high80 Ų8050.6 Ų50.652%0.51929%0.287SS..G310 helixtrans-66.5-14176.1-17.730.5000114.6V9 V10 C14 A164V9-P12 WeakPolarHBondContact O-CD 3.47Å; V10-P12 VanDerWaalsContact C-N 3.29Å; V10-P12 VanDerWaalsContact O-N 3.15Å; P12-C14 VanDerWaalsContact C-N 3.33Å; P12-A164 HydrophobicContact CB-CB 4Å; P12-A164 HydrophobicContact CG-CB 4.11Å
13A93.7Very high92.4Very high1 Ų154.5 Ų54.51%0.00831%0.313CS..G310 helixtrans-90.6-0.5170.800000112.6V10 N11 Y156 E157 K160 A164V10-A13 WeakPolarHBondContact O-CA 3.43Å; V10-A13 VanDerWaalsContact O-CB 3.31Å; V10-A13 WeakPolarHBondContact O-CB 3.25Å; V10-A13 PolarHBondContact O-N 2.82Å; N11-A13 PolarHBondContact O-N 3.16Å; A13-Y156 HydrophobicContact CB-CD2 4.3Å; A13-Y156 HydrophobicContact CB-CE2 4.32Å; A13-E157 PolarHBondContact O-N 3.06Å; A13-K160 HydrophobicContact CB-CB 4.03Å; A13-K160 WeakPolarHBondContact CB-O 3.5Å; A13-A164 HydrophobicContact CB-CB 3.91Å
14C95.8Very high92.3Very high19 Ų1955.1 Ų55.113%0.12832%0.322CS..EExtended strand (participates in β ladder)trans-103.1150.2177.2-54.50000110.3N11 P12 Q154 L155N11-C14 WeakPolarHBondContact O-CA 3.45Å; N11-C14 VanDerWaalsContact O-CB 3.32Å; N11-C14 WeakPolarHBondContact O-CB 3.19Å; N11-C14 PolarHBondContact O-N 2.76Å; P12-C14 VanDerWaalsContact C-N 3.33Å; C14-Q154 HydrophobicContact CB-CB 4.44Å; C14-L155 CarbonylContact C-O 3.55Å; C14-L155 WeakPolarHBondContact CA-O 3.45Å
15K96Very high92.4Very high78 Ų7849.7 Ų49.734%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-130.4147.516862.2171.1-173.7156.90110.3S17 E21 Q154 L155 E157K15-S17 PolarHBondContact O-N 2.86Å; K15-E21 IonicContact NZ-OE2 3.66Å; K15-Q154 CarbonylContact O-C 3.51Å; K15-L155 VanDerWaalsContact CE-CD2 3.47Å; K15-L155 HydrophobicContact CG-CB 4.19Å; K15-L155 PolarHBondContact N-O 3.15Å; K15-L155 PolarHBondContact O-N 2.88Å; K15-E157 WeakPolarHBondContact CE-OE1 3.44Å
16P97.2Very high92.4Very high103 Ų10346.6 Ų46.667%0.66927%0.274SS*.EExtended strand (participates in β ladder)trans-54.5136.5165.4-22.933.5000110.4
17S97.5Very high92.4Very high9 Ų947.2 Ų47.26%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-153157.7-178.2-172.10000110.5K15 E21 G153K15-S17 PolarHBondContact O-N 2.86Å; S17-E21 WeakPolarHBondContact CA-OE1 3.49Å; S17-E21 WeakPolarHBondContact CB-OE1 3.33Å; S17-E21 PolarHBondContact OG-OE1 3.46Å; S17-E21 PolarHBondContact OG-OE2 3.33Å; S17-G153 PolarHBondContact N-O 3.33Å; S17-G153 PolarHBondContact O-N 3.39Å
18H97.3Very high92.7Very high63 Ų6345.6 Ų45.629%0.29227%0.271SS..EExtended strand (participates in β ladder)trans-118.4142.4177.2-172.9-95000110.6S20 E21 S150 G151H18-S20 VanDerWaalsContact ND1-CB 3.27Å; H18-S20 WeakPolarHBondContact ND1-CB 3.48Å; H18-S20 PolarHBondContact ND1-N 3.46Å; H18-S20 VanDerWaalsContact ND1-N 3.15Å; H18-S20 PolarHBondContact ND1-OG 2.85Å; H18-S20 PolarHBondContact O-N 2.85Å; H18-E21 PolarHBondContact N-OE1 2.97Å; H18-E21 VanDerWaalsContact O-CB 3.31Å; H18-E21 WeakPolarHBondContact O-CB 3.27Å; H18-E21 WeakPolarHBondContact O-CG 3.43Å; H18-E21 PolarHBondContact O-N 3.46Å; H18-S150 PolarHBondContact NE2-O 3.11Å; H18-G151 CarbonylContact C-O 3.52Å; H18-G151 WeakPolarHBondContact CA-O 3.44Å
19V92Very high92.9Very high51 Ų5141.7 Ų41.731%0.30925%0.246SC..G310 helixtrans-55.9-26.5-177.269.90000113.5E21 F22 I129 M147 G151V19-E21 PolarHBondContact O-N 3.01Å; V19-F22 HydrophobicContact CG2-CD2 4.47Å; V19-F22 PolarHBondContact O-N 3.32Å; V19-I129 HydrophobicContact CG2-CD1 4.37Å; V19-M147 HydrophobicContact CB-SD 4.02Å; V19-M147 HydrophobicContact CG2-SD 4.15Å; V19-G151 PolarHBondContact N-O 2.73Å
20S92.7Very high93Very high76 Ų7641.3 Ų41.353%0.53124%0.243SC..G310 helixtrans-62.4-21.717567.30000114.1H18 F22 S23H18-S20 VanDerWaalsContact ND1-CB 3.27Å; H18-S20 WeakPolarHBondContact ND1-CB 3.48Å; H18-S20 PolarHBondContact ND1-N 3.46Å; H18-S20 VanDerWaalsContact ND1-N 3.15Å; H18-S20 PolarHBondContact ND1-OG 2.85Å; H18-S20 PolarHBondContact O-N 2.85Å; S20-F22 PolarHBondContact O-N 2.75Å; S20-S23 WeakPolarHBondContact O-CB 3.28Å; S20-S23 PolarHBondContact O-N 3.06Å
21E93.4Very high93Very high94 Ų9441.5 Ų41.544%0.43925%0.245SC..G310 helixtrans-61.6-19.9172.3-70.5178.1-118.200112.1K15 S17 H18 V19K15-E21 IonicContact NZ-OE2 3.66Å; S17-E21 WeakPolarHBondContact CA-OE1 3.49Å; S17-E21 WeakPolarHBondContact CB-OE1 3.33Å; S17-E21 PolarHBondContact OG-OE1 3.46Å; S17-E21 PolarHBondContact OG-OE2 3.33Å; H18-E21 PolarHBondContact N-OE1 2.97Å; H18-E21 VanDerWaalsContact O-CB 3.31Å; H18-E21 WeakPolarHBondContact O-CB 3.27Å; H18-E21 WeakPolarHBondContact O-CG 3.43Å; H18-E21 PolarHBondContact O-N 3.46Å; V19-E21 PolarHBondContact O-N 3.01Å
22F90.4Very high92.7Very high12 Ų1238.4 Ų38.45%0.05323%0.23CC..G310 helixtrans-103.218.3-179.1-43.6-53.8000112.8V19 S20 G24 M25 V27 V127 L144 L155 S331V19-F22 HydrophobicContact CG2-CD2 4.47Å; V19-F22 PolarHBondContact O-N 3.32Å; S20-F22 PolarHBondContact O-N 2.75Å; F22-G24 PolarHBondContact O-N 3.02Å; F22-M25 HydrophobicContact CB-CB 4.28Å; F22-M25 HydrophobicContact CB-SD 4.19Å; F22-M25 HydrophobicContact CD1-SD 4.01Å; F22-M25 VanDerWaalsContact O-CB 3.28Å; F22-M25 WeakPolarHBondContact O-CB 3.4Å; F22-M25 PolarHBondContact O-N 3.32Å; F22-V27 HydrophobicContact CB-CG2 4.45Å; F22-V127 HydrophobicContact CB-CG2 4.34Å; F22-V127 HydrophobicContact CD1-CG2 3.41Å; F22-V127 VanDerWaalsContact CD1-CG2 3.41Å; F22-V127 HydrophobicContact CD2-CG1 4.29Å; F22-V127 HydrophobicContact CD2-CG2 4.18Å; F22-V127 HydrophobicContact CE1-CG2 3.65Å; F22-V127 HydrophobicContact CE2-CG1 4.1Å; F22-V127 HydrophobicContact CE2-CG2 4.39Å; F22-V127 HydrophobicContact CG-CG2 3.7Å; F22-V127 HydrophobicContact CZ-CG1 4.24Å; F22-V127 HydrophobicContact CZ-CG2 4.15Å; F22-L144 HydrophobicContact CE2-CB 4.38Å; F22-L144 HydrophobicContact CE2-CD1 4.32Å; F22-L144 HydrophobicContact CE2-CD2 4.1Å; F22-L155 HydrophobicContact CE1-CD1 4.42Å; F22-L155 HydrophobicContact CE1-CD2 4.15Å; F22-L155 HydrophobicContact CZ-CD1 3.81Å; F22-L155 HydrophobicContact CZ-CD2 3.93Å; F22-L155 HydrophobicContact CZ-CG 4.4Å; F22-S331 PolarHBondContact O-OG 3.43Å
23S86.3Confident92.4Very high92 Ų9235.9 Ų35.964%0.64321%0.214SC*.THydrogen-bonded Turntrans-60.2128.7174.1-175.30000111.1S20 M25S20-S23 WeakPolarHBondContact O-CB 3.28Å; S20-S23 PolarHBondContact O-N 3.06Å; S23-M25 VanDerWaalsContact C-N 3.3Å
24G84.6Confident92.1Very high21 Ų2139.9 Ų39.922%0.21623%0.229CC..THydrogen-bonded Turntrans79.73-173.200000115.1F22 S331F22-G24 PolarHBondContact O-N 3.02Å; G24-S331 PolarHBondContact N-OG 3.48Å
25M90.6Very high91.6Very high61 Ų6140 Ų4030%0.323%0.228SC..SBendtrans-98.7164.3175.6-62.1-176.2169.800112.3F22 S23 D126 S331 T332F22-M25 HydrophobicContact CB-CB 4.28Å; F22-M25 HydrophobicContact CB-SD 4.19Å; F22-M25 HydrophobicContact CD1-SD 4.01Å; F22-M25 VanDerWaalsContact O-CB 3.28Å; F22-M25 WeakPolarHBondContact O-CB 3.4Å; F22-M25 PolarHBondContact O-N 3.32Å; S23-M25 VanDerWaalsContact C-N 3.3Å; M25-D126 HydrophobicContact CB-CB 3.96Å; M25-D126 WeakPolarHBondContact CB-OD2 3.28Å; M25-D126 HydrophobicContact CG-CB 4.38Å; M25-D126 HydrophobicContact SD-CB 4.2Å; M25-S331 VanDerWaalsContact O-CA 3.26Å; M25-S331 WeakPolarHBondContact O-CA 3.46Å; M25-S331 VanDerWaalsContact O-CB 3.31Å; M25-S331 WeakPolarHBondContact O-CB 3.4Å; M25-S331 PolarHBondContact O-OG 3.3Å; M25-T332 PolarHBondContact O-N 2.81Å
26S89.3Confident90.9Very high1 Ų139.2 Ų39.21%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-88.9132.2171.758.80000110.9L124 V125 D126 V127 S318 T332S26-L124 PolarHBondContact OG-O 3.07Å; S26-V125 VanDerWaalsContact OG-CA 3.27Å; S26-V125 WeakPolarHBondContact OG-CA 3.39Å; S26-D126 PolarHBondContact N-OD2 3.25Å; S26-D126 WeakPolarHBondContact O-CB 3.33Å; S26-D126 PolarHBondContact O-N 3.05Å; S26-D126 VanDerWaalsContact OG-CG 3.3Å; S26-D126 PolarHBondContact OG-N 3.33Å; S26-D126 VanDerWaalsContact OG-N 3.08Å; S26-D126 PolarHBondContact OG-OD2 3.38Å; S26-V127 PolarHBondContact O-N 3.49Å; S26-S318 WeakPolarHBondContact OG-CA 3.3Å; S26-T332 CarbonylContact C-O 3.59Å; S26-T332 WeakPolarHBondContact CA-O 3.22Å; S26-T332 WeakPolarHBondContact CB-OG1 3.23Å
27V93.8Very high90Very high14 Ų1439.3 Ų39.39%0.08522%0.215CC..EExtended strand (participates in β ladder)trans-129.5133.9-175-177.40000110.2F22 V29 V127 I129 T332 C333 A334F22-V27 HydrophobicContact CB-CG2 4.45Å; V27-V29 HydrophobicContact CG1-CG2 4.29Å; V27-V127 CarbonylContact C-O 3.58Å; V27-V127 VanDerWaalsContact CA-O 3.31Å; V27-V127 WeakPolarHBondContact CA-O 3.35Å; V27-V127 HydrophobicContact CG2-CB 4.46Å; V27-I129 HydrophobicContact CG1-CD1 3.59Å; V27-I129 HydrophobicContact CG1-CG1 3.7Å; V27-T332 PolarHBondContact N-O 2.58Å; V27-C333 CarbonylContact O-C 3.59Å; V27-C333 VanDerWaalsContact O-CA 3.29Å; V27-C333 WeakPolarHBondContact O-CA 3.48Å; V27-A334 PolarHBondContact O-N 3.45Å
28A95.8Very high89.2Confident0 Ų041.7 Ų41.70%024%0.235CC..EExtended strand (participates in β ladder)trans-101.4139.2164.300000110.4L116 L119 V125 V127 V128 I129 A334 V336A28-L116 HydrophobicContact CB-CD2 3.45Å; A28-L116 VanDerWaalsContact CB-CD2 3.45Å; A28-L119 HydrophobicContact CB-CD1 4.17Å; A28-V125 HydrophobicContact CB-CB 4.24Å; A28-V125 HydrophobicContact CB-CG1 3.86Å; A28-V125 HydrophobicContact CB-CG2 3.87Å; A28-V127 PolarHBondContact N-O 3.12Å; A28-V128 HydrophobicContact CB-CG2 4.42Å; A28-V128 CarbonylContact O-C 3.52Å; A28-V128 VanDerWaalsContact O-CA 3.26Å; A28-V128 WeakPolarHBondContact O-CA 3.5Å; A28-I129 PolarHBondContact O-N 2.89Å; A28-A334 CarbonylContact C-O 3.49Å; A28-A334 WeakPolarHBondContact CA-O 3.31Å; A28-A334 HydrophobicContact CB-CB 4.35Å; A28-V336 HydrophobicContact CB-CG2 4.39Å
29V94.8Very high88.2Confident4 Ų438.7 Ų38.72%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-117.2128.8179.6-1780000108.8V27 A31 W34 I129 A334 F335 V336V27-V29 HydrophobicContact CG1-CG2 4.29Å; V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.04Å; V29-W34 HydrophobicContact CG1-CD2 3.92Å; V29-W34 HydrophobicContact CG1-CE3 3.84Å; V29-W34 HydrophobicContact CG1-CH2 3.59Å; V29-W34 HydrophobicContact CG1-CZ2 3.65Å; V29-W34 HydrophobicContact CG1-CZ3 3.7Å; V29-W34 HydrophobicContact CG2-CH2 4.38Å; V29-I129 HydrophobicContact CG2-CB 4.3Å; V29-I129 HydrophobicContact CG2-CD1 4.23Å; V29-A334 PolarHBondContact N-O 3.17Å; V29-F335 HydrophobicContact CB-CD1 3.78Å; V29-F335 HydrophobicContact CB-CE1 3.95Å; V29-F335 HydrophobicContact CG1-CD1 3.94Å; V29-F335 HydrophobicContact CG1-CE1 3.89Å; V29-F335 HydrophobicContact CG2-CD1 4.41Å; V29-F335 HydrophobicContact CG2-CE1 4.19Å; V29-V336 PolarHBondContact O-N 2.83Å
30D95Very high87.3Confident4 Ų440.2 Ų40.22%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-68.690.3164.7179.1-4.3000109.7S32 S33 L116 I129 S130D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 3.48Å; D30-S33 VanDerWaalsContact CG-OG 3.3Å; D30-S33 PolarHBondContact OD1-N 3.13Å; D30-S33 VanDerWaalsContact OD2-CB 3.28Å; D30-S33 WeakPolarHBondContact OD2-CB 3.29Å; D30-S33 PolarHBondContact OD2-OG 3.24Å; D30-L116 HydrophobicContact CB-CD1 3.64Å; D30-I129 PolarHBondContact N-O 3.4Å; D30-S130 PolarHBondContact OD2-OG 3.48Å
31A92.8Very high86.1Confident5 Ų540.1 Ų40.14%0.04124%0.235CC..Hα-helixtrans-72.3-27.9-177.600000111.4V29 W34 L35 F335 V336 F337V29-A31 VanDerWaalsContact C-N 3.31Å; V29-A31 PolarHBondContact O-N 3.04Å; A31-W34 PolarHBondContact O-N 2.97Å; A31-L35 VanDerWaalsContact O-CB 3.28Å; A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 3.2Å; A31-F335 HydrophobicContact CB-CB 4.02Å; A31-F335 HydrophobicContact CB-CD1 3.95Å; A31-F335 HydrophobicContact CB-CG 4.45Å; A31-V336 WeakPolarHBondContact CB-O 3.28Å; A31-V336 PolarHBondContact N-O 3.42Å; A31-F337 HydrophobicContact CB-CD1 3.54Å; A31-F337 HydrophobicContact CB-CD2 4.3Å; A31-F337 HydrophobicContact CB-CE1 3.34Å; A31-F337 HydrophobicContact CB-CE2 4.11Å; A31-F337 HydrophobicContact CB-CG 4.03Å; A31-F337 HydrophobicContact CB-CZ 3.65Å
32S86.4Confident84.9Confident19 Ų1937.5 Ų37.513%0.13323%0.227CC..Hα-helixtrans-60.5-46.3175.7-63.30000111.4D30 W34 L35 H36 E338D30-S32 VanDerWaalsContact C-N 3.3Å; D30-S32 WeakPolarHBondContact OD1-CB 3.33Å; D30-S32 PolarHBondContact OD1-N 3.48Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 2.91Å; S32-L35 PolarHBondContact O-N 3.21Å; S32-H36 VanDerWaalsContact O-CB 3.32Å; S32-H36 WeakPolarHBondContact O-CB 3.48Å; S32-H36 PolarHBondContact O-N 3.35Å; S32-E338 VanDerWaalsContact OG-CB 3.31Å; S32-E338 WeakPolarHBondContact OG-CB 3.42Å; S32-E338 PolarHBondContact OG-N 3.35Å
33S84.7Confident84Confident26 Ų2637.4 Ų37.418%0.18223%0.227CC..Hα-helixtrans-58.3-42.8176-820000112.4D30 K37D30-S33 VanDerWaalsContact CG-OG 3.3Å; D30-S33 PolarHBondContact OD1-N 3.13Å; D30-S33 VanDerWaalsContact OD2-CB 3.28Å; D30-S33 WeakPolarHBondContact OD2-CB 3.29Å; D30-S33 PolarHBondContact OD2-OG 3.24Å; S33-K37 WeakPolarHBondContact O-CG 3.17Å; S33-K37 PolarHBondContact O-N 2.99Å; S33-K37 VanDerWaalsContact O-N 3.12Å
34W87Confident83Confident86 Ų8635.6 Ų35.633%0.32621%0.211SC..Hα-helixtrans-70.8-42.1177.8-71.86.1000112.7V29 A31 S32 H36 K37 A38 I129 M147 F335V29-W34 HydrophobicContact CG1-CD2 3.92Å; V29-W34 HydrophobicContact CG1-CE3 3.84Å; V29-W34 HydrophobicContact CG1-CH2 3.59Å; V29-W34 HydrophobicContact CG1-CZ2 3.65Å; V29-W34 HydrophobicContact CG1-CZ3 3.7Å; V29-W34 HydrophobicContact CG2-CH2 4.38Å; A31-W34 PolarHBondContact O-N 2.97Å; S32-W34 VanDerWaalsContact C-N 3.32Å; S32-W34 PolarHBondContact O-N 2.91Å; W34-H36 VanDerWaalsContact C-N 3.28Å; W34-H36 PolarHBondContact O-N 3.23Å; W34-K37 PolarHBondContact O-N 3.38Å; W34-A38 WeakPolarHBondContact O-CB 3.38Å; W34-A38 PolarHBondContact O-N 3.35Å; W34-I129 HydrophobicContact CZ2-CG2 3.84Å; W34-M147 HydrophobicContact CH2-CE 3.8Å; W34-M147 HydrophobicContact CZ2-CE 3.55Å; W34-F335 HydrophobicContact CE3-CE1 4.1Å; W34-F335 AromaticContact CZ3-CE1 3.74Å; W34-F335 HydrophobicContact CZ3-CE1 3.74Å; W34-F335 HydrophobicContact CZ3-CZ 4.39Å
35L86.6Confident82.2Confident20 Ų2041.2 Ų41.211%0.10523%0.233CC..Hα-helixtrans-63.2-38.5177.9-173.854000110.9A31 S32 A38 A39 V85 M89 V90 V93A31-L35 VanDerWaalsContact O-CB 3.28Å; A31-L35 WeakPolarHBondContact O-CB 3.43Å; A31-L35 PolarHBondContact O-N 3.2Å; S32-L35 PolarHBondContact O-N 3.21Å; L35-A38 PolarHBondContact O-N 2.91Å; L35-A39 WeakPolarHBondContact O-CB 3.49Å; L35-A39 PolarHBondContact O-N 3.18Å; L35-V85 HydrophobicContact CB-CG1 4.47Å; L35-V85 HydrophobicContact CD2-CG1 3.36Å; L35-V85 HydrophobicContact CG-CG1 3.69Å; L35-V85 HydrophobicContact CG-CG2 4.24Å; L35-M89 HydrophobicContact CD1-CB 4.45Å; L35-M89 HydrophobicContact CD1-CE 4.03Å; L35-M89 HydrophobicContact CD2-CB 4.2Å; L35-M89 HydrophobicContact CG-CE 4.36Å; L35-V90 HydrophobicContact CD2-CG2 3.76Å; L35-V93 HydrophobicContact CD1-CG2 4.05Å
36H80.1Confident81Confident62 Ų6239.6 Ų39.629%0.28723%0.225SC..Hα-helixtrans-66.1-42.3174.9-159.4-81.7000111.8S32 W34 A39 F40 V85S32-H36 VanDerWaalsContact O-CB 3.32Å; S32-H36 WeakPolarHBondContact O-CB 3.48Å; S32-H36 PolarHBondContact O-N 3.35Å; W34-H36 VanDerWaalsContact C-N 3.28Å; W34-H36 PolarHBondContact O-N 3.23Å; H36-A39 PolarHBondContact O-N 3.22Å; H36-F40 AromaticContact CE1-CD2 3.99Å; H36-F40 AromaticContact CE1-CE2 3.13Å; H36-F40 WeakPolarHBondContact CE1-CE2 3.43Å; H36-F40 AromaticContact CE1-CZ 3.31Å; H36-F40 WeakPolarHBondContact CE1-CZ 3.38Å; H36-F40 AromaticContact ND1-CD2 3.52Å; H36-F40 AromaticContact ND1-CE2 2.96Å; H36-F40 WeakPolarHBondContact ND1-CE2 3.11Å; H36-F40 AromaticContact ND1-CZ 3.68Å; H36-F40 WeakPolarHBondContact O-CD2 3.24Å; H36-F40 PolarHBondContact O-N 2.96Å; H36-V85 HydrophobicContact CB-CG2 4.12Å
37K79.2Confident79.9Confident106 Ų10639.6 Ų39.646%0.46123%0.225SC..Hα-helixtrans-61.2-43.7172.2-78.2-177.2175.3-175.90112.3S33 W34 F40 G41 E131S33-K37 WeakPolarHBondContact O-CG 3.17Å; S33-K37 PolarHBondContact O-N 2.99Å; S33-K37 VanDerWaalsContact O-N 3.12Å; W34-K37 PolarHBondContact O-N 3.38Å; K37-F40 WeakPolarHBondContact O-CB 3.4Å; K37-F40 PolarHBondContact O-N 3.2Å; K37-G41 PolarHBondContact O-N 2.81Å; K37-E131 VanDerWaalsContact NZ-CG 3.29Å; K37-E131 IonicContact NZ-OE1 3.88Å; K37-E131 PolarHBondContact NZ-OE1 2.87Å; K37-E131 IonicContact NZ-OE2 3.75Å; K37-E131 PolarHBondContact NZ-OE2 2.92Å; K37-E131 VanDerWaalsContact NZ-OE2 3.16Å
38A80.6Confident78.5Confident58 Ų5846.3 Ų46.348%0.47925%0.249SC..Hα-helixtrans-63.8-44.9177.200000111.2W34 L35 F40 G41 C42W34-A38 WeakPolarHBondContact O-CB 3.38Å; W34-A38 PolarHBondContact O-N 3.35Å; L35-A38 PolarHBondContact O-N 2.91Å; A38-F40 VanDerWaalsContact C-N 3.26Å; A38-F40 PolarHBondContact O-N 3.49Å; A38-G41 WeakPolarHBondContact O-CA 3.31Å; A38-G41 PolarHBondContact O-N 2.95Å; A38-C42 PolarHBondContact O-N 2.84Å; A38-C42 PolarHBondContact O-SG 2.78Å
39A77.1Confident77Confident1 Ų149.6 Ų49.61%0.00828%0.283CS..Hα-helixtrans-62.4-31.8178.300000112.8L35 H36 G41 C42 S43 I46 T83 V85 M89L35-A39 WeakPolarHBondContact O-CB 3.49Å; L35-A39 PolarHBondContact O-N 3.18Å; H36-A39 PolarHBondContact O-N 3.22Å; A39-G41 VanDerWaalsContact C-N 3.34Å; A39-C42 CarbonylContact O-C 3.52Å; A39-C42 PolarHBondContact O-N 3.34Å; A39-S43 VanDerWaalsContact O-CA 3.29Å; A39-S43 WeakPolarHBondContact O-CA 3.22Å; A39-S43 PolarHBondContact O-N 2.95Å; A39-I46 HydrophobicContact CB-CD1 3.69Å; A39-T83 HydrophobicContact CB-CG2 3.56Å; A39-V85 HydrophobicContact CB-CG2 4.24Å; A39-M89 HydrophobicContact CB-CE 3.84Å
40F71.9Confident75.3Confident82 Ų8251.5 Ų51.536%0.3629%0.293SS..Hα-helixtrans-62.8-40170.5-82.3-60.4000112.5H36 K37 A38 C42 S43 R80H36-F40 AromaticContact CE1-CD2 3.99Å; H36-F40 AromaticContact CE1-CE2 3.13Å; H36-F40 WeakPolarHBondContact CE1-CE2 3.43Å; H36-F40 AromaticContact CE1-CZ 3.31Å; H36-F40 WeakPolarHBondContact CE1-CZ 3.38Å; H36-F40 AromaticContact ND1-CD2 3.52Å; H36-F40 AromaticContact ND1-CE2 2.96Å; H36-F40 WeakPolarHBondContact ND1-CE2 3.11Å; H36-F40 AromaticContact ND1-CZ 3.68Å; H36-F40 WeakPolarHBondContact O-CD2 3.24Å; H36-F40 PolarHBondContact O-N 2.96Å; K37-F40 WeakPolarHBondContact O-CB 3.4Å; K37-F40 PolarHBondContact O-N 3.2Å; A38-F40 VanDerWaalsContact C-N 3.26Å; A38-F40 PolarHBondContact O-N 3.49Å; F40-C42 VanDerWaalsContact C-N 3.33Å; F40-C42 PolarHBondContact O-N 3.49Å; F40-S43 WeakPolarHBondContact O-CB 3.47Å; F40-S43 PolarHBondContact O-N 3.23Å; F40-S43 PolarHBondContact O-OG 2.94Å; F40-R80 HydrophobicContact CD1-CB 3.88Å; F40-R80 HydrophobicContact CD1-CG 3.91Å; F40-R80 HydrophobicContact CE1-CB 4.1Å; F40-R80 WeakPolarHBondContact CE1-O 3.43Å
41G67Low73.6Confident74 Ų7461.2 Ų61.276%0.76334%0.335SS*.Hα-helixtrans-66.2-30.9179.300000113.9K37 A38 A39K37-G41 PolarHBondContact O-N 2.81Å; A38-G41 WeakPolarHBondContact O-CA 3.31Å; A38-G41 PolarHBondContact O-N 2.95Å; A39-G41 VanDerWaalsContact C-N 3.34Å
42C69.1Low71.8Confident40 Ų4062.4 Ų62.427%0.2734%0.342SS..THydrogen-bonded Turntrans-109.922.9176.353.70000113.6A38 A39 F40 D44 M45 I46A38-C42 PolarHBondContact O-N 2.84Å; A38-C42 PolarHBondContact O-SG 2.78Å; A39-C42 CarbonylContact O-C 3.52Å; A39-C42 PolarHBondContact O-N 3.34Å; F40-C42 VanDerWaalsContact C-N 3.33Å; F40-C42 PolarHBondContact O-N 3.49Å; C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 PolarHBondContact O-N 3.37Å; C42-M45 HydrophobicContact CB-CE 3.55Å; C42-M45 PolarHBondContact O-N 3.03Å; C42-I46 PolarHBondContact O-N 2.71Å; C42-I46 WeakPolarHBondContact SG-CD1 3.45Å
43S71Confident70.8Confident9 Ų965.1 Ų65.16%0.06336%0.355CS..Hα-helixtrans-53.3-39.7-173.348.10000114.4A39 F40 A47 R80 T83A39-S43 VanDerWaalsContact O-CA 3.29Å; A39-S43 WeakPolarHBondContact O-CA 3.22Å; A39-S43 PolarHBondContact O-N 2.95Å; F40-S43 WeakPolarHBondContact O-CB 3.47Å; F40-S43 PolarHBondContact O-N 3.23Å; F40-S43 PolarHBondContact O-OG 2.94Å; S43-A47 WeakPolarHBondContact O-CB 3.38Å; S43-A47 PolarHBondContact O-N 3.09Å; S43-R80 VanDerWaalsContact OG-CG 3.3Å; S43-R80 WeakPolarHBondContact OG-CG 3.4Å; S43-T83 WeakPolarHBondContact CB-OG1 3.31Å
44D65.8Low70Confident55 Ų5571.1 Ų71.129%0.29438%0.384SS..Hα-helixtrans-63.6-43.8176.3-178.837000112.3C42 R48 F79C42-D44 VanDerWaalsContact C-N 3.31Å; C42-D44 PolarHBondContact O-N 3.37Å; D44-R48 WeakPolarHBondContact O-CD 3.4Å; D44-R48 WeakPolarHBondContact O-CG 3.37Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.14Å; D44-R48 IonicContact OD1-CZ 2.85Å; D44-R48 IonicContact OD1-NE 3.48Å; D44-R48 PolarHBondContact OD1-NE 2.97Å; D44-R48 IonicContact OD1-NH2 2.78Å; D44-R48 PolarHBondContact OD1-NH2 3.29Å; D44-R48 IonicContact OD2-CZ 3.25Å; D44-R48 VanDerWaalsContact OD2-CZ 3.27Å; D44-R48 IonicContact OD2-NE 3.78Å; D44-R48 IonicContact OD2-NH2 3.64Å; D44-R48 PolarHBondContact OD2-NH2 2.66Å; D44-F79 HydrophobicContact CB-CD2 4.06Å; D44-F79 WeakPolarHBondContact OD1-CD2 3.45Å; D44-F79 VanDerWaalsContact OD1-CE2 3.24Å; D44-F79 WeakPolarHBondContact OD1-CE2 3.26Å
45M66.8Low68.9Low139 Ų13976.2 Ų76.269%0.68540%0.403SS*.Hα-helixtrans-67.6-46.8178.5-64.8-172.4-70.800111.4C42 R48 G49C42-M45 HydrophobicContact CB-CE 3.55Å; C42-M45 PolarHBondContact O-N 3.03Å; M45-R48 PolarHBondContact O-N 3.33Å; M45-G49 PolarHBondContact O-N 3.39Å
46I67Low68Low27 Ų2777.1 Ų77.114%0.13841%0.405CS..Hα-helixtrans-61.4-49.9177.6-68.6-179.3000110.3A39 C42 R48 G49 L50 T83 M89A39-I46 HydrophobicContact CB-CD1 3.69Å; C42-I46 PolarHBondContact O-N 2.71Å; C42-I46 WeakPolarHBondContact SG-CD1 3.45Å; I46-R48 PolarHBondContact O-N 2.92Å; I46-G49 PolarHBondContact O-N 3.26Å; I46-L50 HydrophobicContact CG2-CD1 3.26Å; I46-L50 HydrophobicContact CG2-CG 3.84Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 2.91Å; I46-L50 VanDerWaalsContact O-N 3.15Å; I46-T83 HydrophobicContact CD1-CG2 4.44Å; I46-T83 HydrophobicContact CG2-CG2 4.32Å; I46-M89 HydrophobicContact CD1-CE 3.78Å; I46-M89 HydrophobicContact CD1-SD 4.45Å
47A64.7Low67.6Low1 Ų179 Ų791%0.00841%0.413CS..Hα-helixtrans-59.1-34.8-178.700000110.9S43 G49 K60 F79S43-A47 WeakPolarHBondContact O-CB 3.38Å; S43-A47 PolarHBondContact O-N 3.09Å; A47-G49 VanDerWaalsContact C-N 3.35Å; A47-G49 PolarHBondContact O-N 2.93Å; A47-K60 WeakPolarHBondContact O-CD 3.28Å; A47-K60 WeakPolarHBondContact O-CE 3.49Å; A47-K60 PolarHBondContact O-NZ 3.23Å; A47-F79 HydrophobicContact CB-CB 4.19Å; A47-F79 HydrophobicContact CB-CD1 3.79Å; A47-F79 HydrophobicContact CB-CG 4.28Å
48R65.3Low67.6Low154 Ų15476.8 Ų76.858%0.58141%0.411SS*.Hα-helixtrans-66.6-31.8177.8-72.4169.6-167.8-159.75.3113.6D44 M45 I46D44-R48 WeakPolarHBondContact O-CD 3.4Å; D44-R48 WeakPolarHBondContact O-CG 3.37Å; D44-R48 PolarHBondContact O-N 3.35Å; D44-R48 VanDerWaalsContact O-N 3.14Å; D44-R48 IonicContact OD1-CZ 2.85Å; D44-R48 IonicContact OD1-NE 3.48Å; D44-R48 PolarHBondContact OD1-NE 2.97Å; D44-R48 IonicContact OD1-NH2 2.78Å; D44-R48 PolarHBondContact OD1-NH2 3.29Å; D44-R48 IonicContact OD2-CZ 3.25Å; D44-R48 VanDerWaalsContact OD2-CZ 3.27Å; D44-R48 IonicContact OD2-NE 3.78Å; D44-R48 IonicContact OD2-NH2 3.64Å; D44-R48 PolarHBondContact OD2-NH2 2.66Å; M45-R48 PolarHBondContact O-N 3.33Å; I46-R48 PolarHBondContact O-N 2.92Å
49G63.4Low67.7Low70 Ų7075.6 Ų75.672%0.72240%0.396SS*.Hα-helixtrans-96.6-21.2-17400000117.1M45 I46 A47M45-G49 PolarHBondContact O-N 3.39Å; I46-G49 PolarHBondContact O-N 3.26Å; A47-G49 VanDerWaalsContact C-N 3.35Å; A47-G49 PolarHBondContact O-N 2.93Å
50L60.8Low67.8Low44 Ų4476.9 Ų76.923%0.2340%0.401CS..  trans-88.5147.5-172.7-65.6-176000115I46 T52 K60 T86I46-L50 HydrophobicContact CG2-CD1 3.26Å; I46-L50 HydrophobicContact CG2-CG 3.84Å; I46-L50 WeakPolarHBondContact O-CG 3.49Å; I46-L50 PolarHBondContact O-N 2.91Å; I46-L50 VanDerWaalsContact O-N 3.15Å; L50-T52 HydrophobicContact CB-CG2 4.15Å; L50-K60 PolarHBondContact O-NZ 2.82Å; L50-T86 HydrophobicContact CD1-CG2 3.9Å; L50-T86 HydrophobicContact CD2-CG2 4.02Å
51K57.7Low68.4Low207 Ų20778 Ų7890%0.941%0.408SS*.  trans-76.6130158.8-69179.8-179.6175.80107.8
52T55.8Low69.4Low31 Ų3178.8 Ų78.819%0.1939%0.391CS..  trans-133.2156.3-171.959.70000111.7L50 R56 K57L50-T52 HydrophobicContact CB-CG2 4.15Å; T52-R56 HydrophobicContact CG2-CB 4.29Å; T52-K57 PolarHBondContact OG1-N 3.29Å
53D64.2Low70.3Confident75 Ų7576.9 Ų76.940%0.40138%0.378SS..  trans-60.8171.8171.96837.3000113.4R55 R56 K57D53-R55 PolarHBondContact O-N 3.19Å; D53-R55 PolarHBondContact OD1-N 3.03Å; D53-R56 PolarHBondContact O-N 3.03Å; D53-R56 VanDerWaalsContact OD1-CB 3.24Å; D53-R56 WeakPolarHBondContact OD1-CB 3.32Å; D53-R56 WeakPolarHBondContact OD1-CG 3.27Å; D53-R56 PolarHBondContact OD1-N 3.4Å; D53-R56 IonicContact OD2-CZ 3.74Å; D53-R56 IonicContact OD2-NE 2.75Å; D53-R56 IonicContact OD2-NH1 3.97Å; D53-R56 PolarHBondContact OD2-NH1 3.39Å; D53-K57 WeakPolarHBondContact O-CB 3.44Å; D53-K57 PolarHBondContact O-N 2.97Å
54L67.9Low71.1Confident152 Ų15281.7 Ų81.780%0.79640%0.398SS*.Hα-helixtrans-59.6-39.9-175-72.2173.8000113.6S58L54-S58 WeakPolarHBondContact O-CB 3.47Å; L54-S58 PolarHBondContact O-N 3.23Å
55R64.6Low72.3Confident193 Ų19385.7 Ų85.773%0.72841%0.413SS*.Hα-helixtrans-71.4-47.6-178.3-179-178.7172.7-170.7-2.4110.5D53 K57 S58 M59D53-R55 PolarHBondContact O-N 3.19Å; D53-R55 PolarHBondContact OD1-N 3.03Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.11Å; R55-S58 WeakPolarHBondContact O-CB 3.33Å; R55-S58 PolarHBondContact O-N 3.45Å; R55-M59 WeakPolarHBondContact O-CG 3.48Å; R55-M59 PolarHBondContact O-N 3.26Å
56R67.8Low73.5Confident39 Ų3979.9 Ų79.915%0.14738%0.384CS..Hα-helixtrans-65.5-34.5176.1-69.9177.7173.8142.5-5.2111.3T52 D53 M59 K60 A82 E84T52-R56 HydrophobicContact CG2-CB 4.29Å; D53-R56 PolarHBondContact O-N 3.03Å; D53-R56 VanDerWaalsContact OD1-CB 3.24Å; D53-R56 WeakPolarHBondContact OD1-CB 3.32Å; D53-R56 WeakPolarHBondContact OD1-CG 3.27Å; D53-R56 PolarHBondContact OD1-N 3.4Å; D53-R56 IonicContact OD2-CZ 3.74Å; D53-R56 IonicContact OD2-NE 2.75Å; D53-R56 IonicContact OD2-NH1 3.97Å; D53-R56 PolarHBondContact OD2-NH1 3.39Å; R56-M59 PolarHBondContact O-N 2.96Å; R56-K60 WeakPolarHBondContact O-CB 3.1Å; R56-K60 PolarHBondContact O-N 2.88Å; R56-A82 HydrophobicContact CB-CB 4.4Å; R56-A82 WeakPolarHBondContact CD-O 3.49Å; R56-A82 WeakPolarHBondContact O-CB 3.34Å; R56-E84 IonicContact CZ-OE1 3.27Å; R56-E84 IonicContact CZ-OE2 2.88Å; R56-E84 IonicContact NH1-OE1 2.79Å; R56-E84 PolarHBondContact NH1-OE1 2.8Å; R56-E84 IonicContact NH1-OE2 3.53Å; R56-E84 PolarHBondContact NH1-OE2 3.49Å; R56-E84 IonicContact NH2-OE1 3.2Å
57K71.9Confident74.6Confident102 Ų10279.7 Ų79.744%0.44339%0.387SS..Hα-helixtrans-61.8-46.6171.7-174.1179.7178-173.70110.9T52 D53 R55 K60 E61T52-K57 PolarHBondContact OG1-N 3.29Å; D53-K57 WeakPolarHBondContact O-CB 3.44Å; D53-K57 PolarHBondContact O-N 2.97Å; R55-K57 VanDerWaalsContact C-N 3.29Å; R55-K57 PolarHBondContact O-N 3.11Å; K57-K60 PolarHBondContact O-N 3.28Å; K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 WeakPolarHBondContact O-CB 3.18Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.42Å; K57-E61 PolarHBondContact O-N 2.76Å
58S79.9Confident75.9Confident59 Ų5984.1 Ų84.141%0.41342%0.423SS..Hα-helixtrans-59.3-46.1173.8176.30000111.8L54 R55 K60 E61 Q62L54-S58 WeakPolarHBondContact O-CB 3.47Å; L54-S58 PolarHBondContact O-N 3.23Å; R55-S58 WeakPolarHBondContact O-CB 3.33Å; R55-S58 PolarHBondContact O-N 3.45Å; S58-K60 PolarHBondContact O-N 3.37Å; S58-E61 PolarHBondContact O-N 2.79Å; S58-Q62 VanDerWaalsContact O-CB 3.31Å; S58-Q62 WeakPolarHBondContact O-CB 3.37Å; S58-Q62 PolarHBondContact O-N 2.93Å
59M81.7Confident77.2Confident34 Ų3481.4 Ų81.417%0.16742%0.417CS..Hα-helixtrans-64.7-39.4175.9-63.9-62.894.300112.4R55 R56 Q62 G63 C78 L81 A82R55-M59 WeakPolarHBondContact O-CG 3.48Å; R55-M59 PolarHBondContact O-N 3.26Å; R56-M59 PolarHBondContact O-N 2.96Å; M59-Q62 VanDerWaalsContact CE-OE1 3.24Å; M59-Q62 PolarHBondContact O-N 3.28Å; M59-G63 PolarHBondContact O-N 2.94Å; M59-C78 WeakPolarHBondContact O-CB 3.44Å; M59-L81 HydrophobicContact CB-CB 4.38Å; M59-L81 HydrophobicContact CG-CB 4.09Å; M59-L81 HydrophobicContact SD-CB 4.42Å; M59-L81 HydrophobicContact SD-CD1 4.14Å; M59-A82 HydrophobicContact CB-CB 4.07Å
60K80.1Confident78.5Confident28 Ų2880 Ų8012%0.12240%0.403CS..Hα-helixtrans-64.7-42.7175.2176.2176.4167.5165.40111.5A47 L50 R56 K57 S58 G63 K64 A82A47-K60 WeakPolarHBondContact O-CD 3.28Å; A47-K60 WeakPolarHBondContact O-CE 3.49Å; A47-K60 PolarHBondContact O-NZ 3.23Å; L50-K60 PolarHBondContact O-NZ 2.82Å; R56-K60 WeakPolarHBondContact O-CB 3.1Å; R56-K60 PolarHBondContact O-N 2.88Å; K57-K60 PolarHBondContact O-N 3.28Å; S58-K60 PolarHBondContact O-N 3.37Å; K60-G63 PolarHBondContact O-N 3.42Å; K60-K64 WeakPolarHBondContact O-CG 3.33Å; K60-K64 PolarHBondContact O-N 3.14Å; K60-A82 HydrophobicContact CB-CB 4Å
61E84.6Confident79.9Confident106 Ų10682.1 Ų82.150%0.49541%0.41SS..Hα-helixtrans-65.8-44175.6-75.2171.5-177.900111.4K57 S58 G63 K64 K65K57-E61 WeakPolarHBondContact CE-OE1 3.46Å; K57-E61 WeakPolarHBondContact O-CB 3.18Å; K57-E61 VanDerWaalsContact O-CG 3.31Å; K57-E61 WeakPolarHBondContact O-CG 3.42Å; K57-E61 PolarHBondContact O-N 2.76Å; S58-E61 PolarHBondContact O-N 2.79Å; E61-G63 PolarHBondContact O-N 3.37Å; E61-K64 PolarHBondContact O-N 2.76Å; E61-K65 PolarHBondContact O-N 2.97Å
62Q88Confident81.4Confident90 Ų9079.2 Ų79.242%0.42140%0.398SS..Hα-helixtrans-60.9-44.3173.8-175.3175.3-4.200111.4S58 M59 K64 K65 L66S58-Q62 VanDerWaalsContact O-CB 3.31Å; S58-Q62 WeakPolarHBondContact O-CB 3.37Å; S58-Q62 PolarHBondContact O-N 2.93Å; M59-Q62 VanDerWaalsContact CE-OE1 3.24Å; M59-Q62 PolarHBondContact O-N 3.28Å; Q62-K64 PolarHBondContact O-N 3.35Å; Q62-K65 PolarHBondContact O-N 3.45Å; Q62-L66 HydrophobicContact CG-CD1 3.99Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.23Å
63G86.3Confident82.8Confident0 Ų085.6 Ų85.60%042%0.423CS..Hα-helixtrans-60.2-43.6175.900000112.3M59 K60 E61 K65 L66 A67 A75M59-G63 PolarHBondContact O-N 2.94Å; K60-G63 PolarHBondContact O-N 3.42Å; E61-G63 PolarHBondContact O-N 3.37Å; G63-K65 PolarHBondContact O-N 2.8Å; G63-L66 PolarHBondContact O-N 2.96Å; G63-A67 WeakPolarHBondContact O-CB 3.5Å; G63-A67 PolarHBondContact O-N 3.47Å; G63-A75 VanDerWaalsContact O-CB 3.27Å; G63-A75 WeakPolarHBondContact O-CB 3.09Å
64K88.2Confident83.9Confident110 Ų11086.8 Ų86.848%0.47843%0.426SS..Hα-helixtrans-61.5-43.1174.4-75.2177.8178.5-170.90112.4K60 E61 Q62 A67 A68 F79K60-K64 WeakPolarHBondContact O-CG 3.33Å; K60-K64 PolarHBondContact O-N 3.14Å; E61-K64 PolarHBondContact O-N 2.76Å; Q62-K64 PolarHBondContact O-N 3.35Å; K64-A67 PolarHBondContact O-N 2.92Å; K64-A68 PolarHBondContact O-N 3.45Å; K64-F79 HydrophobicContact CG-CE1 4.14Å; K64-F79 HydrophobicContact CG-CZ 4.21Å
65K91.1Very high84.7Confident138 Ų13879.7 Ų79.760%0.639%0.389SS*.Hα-helixtrans-62.3-47.9177.4-174.8179.9176.3-177.10111.2E61 Q62 G63 A67 A68 E69E61-K65 PolarHBondContact O-N 2.97Å; Q62-K65 PolarHBondContact O-N 3.45Å; G63-K65 PolarHBondContact O-N 2.8Å; K65-A67 VanDerWaalsContact C-N 3.32Å; K65-A67 PolarHBondContact O-N 3.49Å; K65-A68 PolarHBondContact O-N 2.92Å; K65-E69 VanDerWaalsContact CE-OE1 3.22Å; K65-E69 WeakPolarHBondContact CE-OE1 3.24Å; K65-E69 WeakPolarHBondContact O-CG 3.43Å; K65-E69 PolarHBondContact O-N 3.46Å
66L91.8Very high85.5Confident17 Ų1772 Ų729%0.08937%0.367CS..Hα-helixtrans-62.1-39.2177.5-70.7166.9000112.1Q62 G63 E69 G70 K71 E74 A75 C78Q62-L66 HydrophobicContact CG-CD1 3.99Å; Q62-L66 WeakPolarHBondContact O-CG 3.39Å; Q62-L66 PolarHBondContact O-N 3.23Å; G63-L66 PolarHBondContact O-N 2.96Å; L66-E69 CarbonylContact O-C 3.55Å; L66-E69 PolarHBondContact O-N 3.3Å; L66-G70 PolarHBondContact O-N 3Å; L66-K71 HydrophobicContact CB-CB 4.22Å; L66-K71 HydrophobicContact CD2-CB 4.14Å; L66-K71 HydrophobicContact CD2-CD 3.62Å; L66-K71 WeakPolarHBondContact O-CA 3.38Å; L66-K71 WeakPolarHBondContact O-CB 3.31Å; L66-K71 PolarHBondContact O-N 3.39Å; L66-E74 HydrophobicContact CD1-CB 3.81Å; L66-E74 HydrophobicContact CD2-CB 4.35Å; L66-E74 WeakPolarHBondContact CD2-OE2 3.34Å; L66-A75 HydrophobicContact CB-CB 3.81Å; L66-C78 VanDerWaalsContact CD1-SG 3.55Å
67A89.9Confident86.3Confident24 Ų2473.1 Ų73.120%0.19838%0.376CS..Hα-helixtrans-64.4-40.8175.600000112G63 K64 K65 E69 G70 A75G63-A67 WeakPolarHBondContact O-CB 3.5Å; G63-A67 PolarHBondContact O-N 3.47Å; K64-A67 PolarHBondContact O-N 2.92Å; K65-A67 VanDerWaalsContact C-N 3.32Å; K65-A67 PolarHBondContact O-N 3.49Å; A67-E69 VanDerWaalsContact C-N 3.26Å; A67-E69 PolarHBondContact O-N 2.91Å; A67-G70 PolarHBondContact O-N 3.41Å; A67-G70 VanDerWaalsContact O-N 3.07Å; A67-A75 HydrophobicContact CB-CB 3.93Å
68A92.1Very high86.8Confident93 Ų9368.7 Ų68.777%0.76936%0.358SS*.Hα-helixtrans-65.6-28.4175.100000112.8K64 K65 G70K64-A68 PolarHBondContact O-N 3.45Å; K65-A68 PolarHBondContact O-N 2.92Å; A68-G70 VanDerWaalsContact C-N 3.28Å
69E93.6Very high86.8Confident97 Ų9766.2 Ų66.245%0.45334%0.34SS..THydrogen-bonded Turntrans-81.70.9172.8-67.9174.5-162.200113.5K65 L66 A67 K71K65-E69 VanDerWaalsContact CE-OE1 3.22Å; K65-E69 WeakPolarHBondContact CE-OE1 3.24Å; K65-E69 WeakPolarHBondContact O-CG 3.43Å; K65-E69 PolarHBondContact O-N 3.46Å; L66-E69 CarbonylContact O-C 3.55Å; L66-E69 PolarHBondContact O-N 3.3Å; A67-E69 VanDerWaalsContact C-N 3.26Å; A67-E69 PolarHBondContact O-N 2.91Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 HydrophobicContact CB-CD 4.42Å; E69-K71 HydrophobicContact CB-CG 4.41Å; E69-K71 PolarHBondContact O-N 3.26Å; E69-K71 WeakPolarHBondContact OE2-CE 3.18Å; E69-K71 IonicContact OE2-NZ 2.96Å; E69-K71 PolarHBondContact OE2-NZ 3.5Å
70G90.3Very high86.5Confident40 Ų4069 Ų6941%0.41235%0.348SS..THydrogen-bonded Turntrans76.77.1-176.500000115L66 A67 A68 F72L66-G70 PolarHBondContact O-N 3Å; A67-G70 PolarHBondContact O-N 3.41Å; A67-G70 VanDerWaalsContact O-N 3.07Å; A68-G70 VanDerWaalsContact C-N 3.28Å; G70-F72 VanDerWaalsContact C-N 3.27Å; G70-F72 WeakPolarHBondContact O-CD2 3.33Å; G70-F72 WeakPolarHBondContact O-CE2 3.36Å; G70-F72 PolarHBondContact O-N 3.01Å
71K91.1Very high86.2Confident90 Ų9072.8 Ų72.839%0.39137%0.369SS..  trans-85.461.6178.8-64.4174.1-178.21600111.4L66 E69 K73 E74 A75L66-K71 HydrophobicContact CB-CB 4.22Å; L66-K71 HydrophobicContact CD2-CB 4.14Å; L66-K71 HydrophobicContact CD2-CD 3.62Å; L66-K71 WeakPolarHBondContact O-CA 3.38Å; L66-K71 WeakPolarHBondContact O-CB 3.31Å; L66-K71 PolarHBondContact O-N 3.39Å; E69-K71 VanDerWaalsContact C-N 3.28Å; E69-K71 HydrophobicContact CB-CD 4.42Å; E69-K71 HydrophobicContact CB-CG 4.41Å; E69-K71 PolarHBondContact O-N 3.26Å; E69-K71 WeakPolarHBondContact OE2-CE 3.18Å; E69-K71 IonicContact OE2-NZ 2.96Å; E69-K71 PolarHBondContact OE2-NZ 3.5Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.27Å; K71-E74 HydrophobicContact CB-CB 4.5Å; K71-E74 PolarHBondContact O-N 3.48Å; K71-A75 WeakPolarHBondContact O-CB 3.27Å; K71-A75 PolarHBondContact O-N 3.21Å
72F87.9Confident85.7Confident145 Ų14567.8 Ų67.864%0.63635%0.346SS*.Hα-helixtrans-60.8-34.7-169.6-58.7-66.8000114.7G70 A76G70-F72 VanDerWaalsContact C-N 3.27Å; G70-F72 WeakPolarHBondContact O-CD2 3.33Å; G70-F72 WeakPolarHBondContact O-CE2 3.36Å; G70-F72 PolarHBondContact O-N 3.01Å; F72-A76 WeakPolarHBondContact O-CB 3.37Å; F72-A76 PolarHBondContact O-N 3.42Å
73K85Confident84.9Confident166 Ų16663.9 Ų63.972%0.72233%0.329SS*.Hα-helixtrans-65.5-48.8179.2-173.2179178.7-178.90111.9K71 A75 A76 D77K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.27Å; K73-A75 VanDerWaalsContact C-N 3.34Å; K73-A76 WeakPolarHBondContact O-CB 3.44Å; K73-A76 PolarHBondContact O-N 2.86Å; K73-D77 PolarHBondContact O-N 3.42Å
74E87.4Confident84.3Confident100 Ų10065.9 Ų65.947%0.46734%0.338SS..Hα-helixtrans-67.6-37.5178.4-61.2168.4-151.100111.1L66 K71 A76 D77 C78L66-E74 HydrophobicContact CD1-CB 3.81Å; L66-E74 HydrophobicContact CD2-CB 4.35Å; L66-E74 WeakPolarHBondContact CD2-OE2 3.34Å; K71-E74 HydrophobicContact CB-CB 4.5Å; K71-E74 PolarHBondContact O-N 3.48Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.06Å; E74-D77 PolarHBondContact O-N 3.41Å; E74-C78 PolarHBondContact O-N 3.24Å; E74-C78 PolarHBondContact O-SG 3.2Å
75A86.2Confident83.9Confident2 Ų261.3 Ų61.32%0.01732%0.319CS..Hα-helixtrans-58.7-45.5172.100000111.5G63 L66 A67 K71 K73 D77 C78 F79G63-A75 VanDerWaalsContact O-CB 3.27Å; G63-A75 WeakPolarHBondContact O-CB 3.09Å; L66-A75 HydrophobicContact CB-CB 3.81Å; A67-A75 HydrophobicContact CB-CB 3.93Å; K71-A75 WeakPolarHBondContact O-CB 3.27Å; K71-A75 PolarHBondContact O-N 3.21Å; K73-A75 VanDerWaalsContact C-N 3.34Å; A75-D77 PolarHBondContact O-N 2.55Å; A75-C78 WeakPolarHBondContact O-CB 3.45Å; A75-C78 PolarHBondContact O-N 3.09Å; A75-F79 HydrophobicContact CB-CE2 4.12Å; A75-F79 WeakPolarHBondContact O-CD2 3.36Å; A75-F79 WeakPolarHBondContact O-CG 3.22Å; A75-F79 PolarHBondContact O-N 3.33Å
76A81.3Confident83.5Confident33 Ų3356.1 Ų56.127%0.27330%0.299SS..Hα-helixtrans-63.8-37.5176.800000112.6F72 K73 E74 C78 F79 R80F72-A76 WeakPolarHBondContact O-CB 3.37Å; F72-A76 PolarHBondContact O-N 3.42Å; K73-A76 WeakPolarHBondContact O-CB 3.44Å; K73-A76 PolarHBondContact O-N 2.86Å; E74-A76 VanDerWaalsContact C-N 3.32Å; E74-A76 PolarHBondContact O-N 3.06Å; A76-C78 VanDerWaalsContact C-N 3.34Å; A76-F79 PolarHBondContact O-N 2.96Å; A76-R80 WeakPolarHBondContact O-CB 3.42Å; A76-R80 VanDerWaalsContact O-CG 3.27Å; A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 3.44Å; A76-R80 PolarHBondContact O-NE 3.28Å
77D83.5Confident83.2Confident61 Ų6155.5 Ų55.533%0.32630%0.296SS..Hα-helixtrans-61-43.8171.8-72.3-48.4000111.2K73 E74 A75 R80 L81K73-D77 PolarHBondContact O-N 3.42Å; E74-D77 PolarHBondContact O-N 3.41Å; A75-D77 PolarHBondContact O-N 2.55Å; D77-R80 VanDerWaalsContact CG-NH2 3.31Å; D77-R80 WeakPolarHBondContact O-CB 3.47Å; D77-R80 PolarHBondContact O-N 3.48Å; D77-R80 IonicContact OD1-CZ 3.16Å; D77-R80 IonicContact OD1-NH1 2.73Å; D77-R80 PolarHBondContact OD1-NH1 2.8Å; D77-R80 IonicContact OD1-NH2 3.39Å; D77-R80 PolarHBondContact OD1-NH2 3.44Å; D77-R80 IonicContact OD2-NH2 2.77Å; D77-L81 WeakPolarHBondContact O-CG 3.46Å; D77-L81 PolarHBondContact O-N 2.88Å
78C83Confident83.1Confident10 Ų1059 Ų597%0.06831%0.311CS..Hα-helixtrans-64.4-42.9177.4-65.70000112.3M59 L66 E74 A75 A76 R80 L81 A82M59-C78 WeakPolarHBondContact O-CB 3.44Å; L66-C78 VanDerWaalsContact CD1-SG 3.55Å; E74-C78 PolarHBondContact O-N 3.24Å; E74-C78 PolarHBondContact O-SG 3.2Å; A75-C78 WeakPolarHBondContact O-CB 3.45Å; A75-C78 PolarHBondContact O-N 3.09Å; A76-C78 VanDerWaalsContact C-N 3.34Å; C78-R80 VanDerWaalsContact C-N 3.35Å; C78-L81 PolarHBondContact O-N 3.1Å; C78-A82 PolarHBondContact O-N 3.25Å
79F80.1Confident82.9Confident6 Ų656.3 Ų56.33%0.02628%0.283CS..Hα-helixtrans-64.2-39.9175.5-64.7-45.3000112D44 A47 K64 A75 A76 L81 A82 T83D44-F79 HydrophobicContact CB-CD2 4.06Å; D44-F79 WeakPolarHBondContact OD1-CD2 3.45Å; D44-F79 VanDerWaalsContact OD1-CE2 3.24Å; D44-F79 WeakPolarHBondContact OD1-CE2 3.26Å; A47-F79 HydrophobicContact CB-CB 4.19Å; A47-F79 HydrophobicContact CB-CD1 3.79Å; A47-F79 HydrophobicContact CB-CG 4.28Å; K64-F79 HydrophobicContact CG-CE1 4.14Å; K64-F79 HydrophobicContact CG-CZ 4.21Å; A75-F79 HydrophobicContact CB-CE2 4.12Å; A75-F79 WeakPolarHBondContact O-CD2 3.36Å; A75-F79 WeakPolarHBondContact O-CG 3.22Å; A75-F79 PolarHBondContact O-N 3.33Å; A76-F79 PolarHBondContact O-N 2.96Å; F79-L81 VanDerWaalsContact C-N 3.27Å; F79-L81 PolarHBondContact O-N 2.95Å; F79-A82 CarbonylContact O-C 3.59Å; F79-A82 WeakPolarHBondContact O-CA 3.36Å; F79-A82 WeakPolarHBondContact O-CB 3.15Å; F79-A82 PolarHBondContact O-N 3.22Å; F79-T83 PolarHBondContact O-N 3.36Å; F79-T83 PolarHBondContact O-OG1 3.07Å; F79-T83 VanDerWaalsContact O-OG1 3.13Å
80R75.3Confident82.7Confident92 Ų9251.9 Ų51.935%0.34726%0.262SS..Hα-helixtrans-58.4-38.9173.2-78.2-176.7-96.2138.1-2.1112.3F40 S43 A76 D77 C78 A82F40-R80 HydrophobicContact CD1-CB 3.88Å; F40-R80 HydrophobicContact CD1-CG 3.91Å; F40-R80 HydrophobicContact CE1-CB 4.1Å; F40-R80 WeakPolarHBondContact CE1-O 3.43Å; S43-R80 VanDerWaalsContact OG-CG 3.3Å; S43-R80 WeakPolarHBondContact OG-CG 3.4Å; A76-R80 WeakPolarHBondContact O-CB 3.42Å; A76-R80 VanDerWaalsContact O-CG 3.27Å; A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 3.44Å; A76-R80 PolarHBondContact O-NE 3.28Å; D77-R80 VanDerWaalsContact CG-NH2 3.31Å; D77-R80 WeakPolarHBondContact O-CB 3.47Å; D77-R80 PolarHBondContact O-N 3.48Å; D77-R80 IonicContact OD1-CZ 3.16Å; D77-R80 IonicContact OD1-NH1 2.73Å; D77-R80 PolarHBondContact OD1-NH1 2.8Å; D77-R80 IonicContact OD1-NH2 3.39Å; D77-R80 PolarHBondContact OD1-NH2 3.44Å; D77-R80 IonicContact OD2-NH2 2.77Å; C78-R80 VanDerWaalsContact C-N 3.35Å; R80-A82 VanDerWaalsContact C-N 3.3Å
81L73.5Confident82.7Confident108 Ų10850.3 Ų50.357%0.56525%0.245SC*.Hα-helixtrans-73.8-20.6175.2-67.1172.8000113.4M59 D77 C78 F79M59-L81 HydrophobicContact CB-CB 4.38Å; M59-L81 HydrophobicContact CG-CB 4.09Å; M59-L81 HydrophobicContact SD-CB 4.42Å; M59-L81 HydrophobicContact SD-CD1 4.14Å; D77-L81 WeakPolarHBondContact O-CG 3.46Å; D77-L81 PolarHBondContact O-N 2.88Å; C78-L81 PolarHBondContact O-N 3.1Å; F79-L81 VanDerWaalsContact C-N 3.27Å; F79-L81 PolarHBondContact O-N 2.95Å
82A73.3Confident82.6Confident1 Ų150.5 Ų50.51%0.00825%0.25CS..Hα-helixtrans-87.5-15.417700000113.5R56 M59 K60 C78 F79 R80R56-A82 HydrophobicContact CB-CB 4.4Å; R56-A82 WeakPolarHBondContact CD-O 3.49Å; R56-A82 WeakPolarHBondContact O-CB 3.34Å; M59-A82 HydrophobicContact CB-CB 4.07Å; K60-A82 HydrophobicContact CB-CB 4Å; C78-A82 PolarHBondContact O-N 3.25Å; F79-A82 CarbonylContact O-C 3.59Å; F79-A82 WeakPolarHBondContact O-CA 3.36Å; F79-A82 WeakPolarHBondContact O-CB 3.15Å; F79-A82 PolarHBondContact O-N 3.22Å; R80-A82 VanDerWaalsContact C-N 3.3Å
83T72Confident82.7Confident9 Ų945.8 Ų45.86%0.05523%0.233CC..  trans-62.8135.2-179.2-59.40000111.6A39 S43 I46 F79A39-T83 HydrophobicContact CB-CG2 3.56Å; S43-T83 WeakPolarHBondContact CB-OG1 3.31Å; I46-T83 HydrophobicContact CD1-CG2 4.44Å; I46-T83 HydrophobicContact CG2-CG2 4.32Å; F79-T83 PolarHBondContact O-N 3.36Å; F79-T83 PolarHBondContact O-OG1 3.07Å; F79-T83 VanDerWaalsContact O-OG1 3.13Å
84E74Confident83Confident41 Ų4138.2 Ų38.219%0.19220%0.2CC..  trans-128.8133.1171.2177.7164-142.100108.5R56 T86R56-E84 IonicContact CZ-OE1 3.27Å; R56-E84 IonicContact CZ-OE2 2.88Å; R56-E84 IonicContact NH1-OE1 2.79Å; R56-E84 PolarHBondContact NH1-OE1 2.8Å; R56-E84 IonicContact NH1-OE2 3.53Å; R56-E84 PolarHBondContact NH1-OE2 3.49Å; R56-E84 IonicContact NH2-OE1 3.2Å; E84-T86 HydrophobicContact CG-CG2 4.5Å; E84-T86 PolarHBondContact O-N 3.35Å
85V79.1Confident83.2Confident14 Ų1437.8 Ų37.89%0.08520%0.197CC..  trans-78.4112.6166.9175.10000107.4L35 H36 A39 V90L35-V85 HydrophobicContact CB-CG1 4.47Å; L35-V85 HydrophobicContact CD2-CG1 3.36Å; L35-V85 HydrophobicContact CG-CG1 3.69Å; L35-V85 HydrophobicContact CG-CG2 4.24Å; H36-V85 HydrophobicContact CB-CG2 4.12Å; A39-V85 HydrophobicContact CB-CG2 4.24Å; V85-V90 HydrophobicContact CG1-CG2 4.37Å
86T82.6Confident83.3Confident29 Ų2941.1 Ų41.118%0.17823%0.225CC..  trans-90.2159.1178.164.10000111L50 E84 D88 M89 V90L50-T86 HydrophobicContact CD1-CG2 3.9Å; L50-T86 HydrophobicContact CD2-CG2 4.02Å; E84-T86 HydrophobicContact CG-CG2 4.5Å; E84-T86 PolarHBondContact O-N 3.35Å; T86-D88 PolarHBondContact O-N 3.47Å; T86-M89 WeakPolarHBondContact O-CB 2.98Å; T86-M89 PolarHBondContact O-N 3.2Å; T86-M89 WeakPolarHBondContact OG1-CG 3.22Å; T86-M89 PolarHBondContact OG1-N 2.96Å; T86-V90 PolarHBondContact O-N 3.47Å
87F87Confident83.7Confident5 Ų540.2 Ų40.22%0.02222%0.216CC..Hα-helixtrans-64.4-28.3174.4-166.1-103.5000112.7M89 V90 V91 V107 M293 N294 P295 L301F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.9Å; F87-V90 HydrophobicContact CD2-CB 4.3Å; F87-V90 HydrophobicContact CD2-CG1 4.4Å; F87-V90 HydrophobicContact CE2-CG1 4.23Å; F87-V90 WeakPolarHBondContact O-CB 3.28Å; F87-V90 PolarHBondContact O-N 3.3Å; F87-V90 VanDerWaalsContact O-N 3.15Å; F87-V91 HydrophobicContact CD1-CG2 3.72Å; F87-V91 HydrophobicContact CE1-CG2 3.52Å; F87-V91 HydrophobicContact CZ-CG2 4.27Å; F87-V91 VanDerWaalsContact O-CG2 3.3Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 3.11Å; F87-V107 HydrophobicContact CE2-CG1 4.05Å; F87-V107 HydrophobicContact CE2-CG2 4.4Å; F87-M293 WeakPolarHBondContact CE1-O 3.38Å; F87-M293 WeakPolarHBondContact CZ-O 3.27Å; F87-N294 HydrophobicContact CD1-CB 3.85Å; F87-N294 HydrophobicContact CE1-CB 4.15Å; F87-P295 VanDerWaalsContact CD2-CD 3.45Å; F87-P295 HydrophobicContact CD2-CG 3.81Å; F87-P295 VanDerWaalsContact CE2-CD 3.5Å; F87-P295 HydrophobicContact CE2-CG 4.03Å; F87-P295 HydrophobicContact CG-CG 4.24Å; F87-L301 HydrophobicContact CD1-CD1 4.1Å; F87-L301 HydrophobicContact CE1-CD1 3.71Å
88D86Confident83.8Confident98 Ų9841.8 Ų41.852%0.52422%0.222SC..Hα-helixtrans-63.6-38.5174.3-65.3-26.8000111.5T86 V90 V91 D92T86-D88 PolarHBondContact O-N 3.47Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.96Å; D88-V91 WeakPolarHBondContact O-CB 3.38Å; D88-V91 PolarHBondContact O-N 3.42Å; D88-D92 PolarHBondContact O-N 3.13Å
89M87.9Confident83.6Confident35 Ų3545.2 Ų45.217%0.17226%0.258CS..Hα-helixtrans-63.3-39.5172.7-66.5165.26300111.7L35 A39 I46 T86 F87 D92 V93L35-M89 HydrophobicContact CD1-CB 4.45Å; L35-M89 HydrophobicContact CD1-CE 4.03Å; L35-M89 HydrophobicContact CD2-CB 4.2Å; L35-M89 HydrophobicContact CG-CE 4.36Å; A39-M89 HydrophobicContact CB-CE 3.84Å; I46-M89 HydrophobicContact CD1-CE 3.78Å; I46-M89 HydrophobicContact CD1-SD 4.45Å; T86-M89 WeakPolarHBondContact O-CB 2.98Å; T86-M89 PolarHBondContact O-N 3.2Å; T86-M89 WeakPolarHBondContact OG1-CG 3.22Å; T86-M89 PolarHBondContact OG1-N 2.96Å; F87-M89 VanDerWaalsContact C-N 3.31Å; F87-M89 PolarHBondContact O-N 2.9Å; M89-D92 PolarHBondContact O-N 3.38Å; M89-V93 WeakPolarHBondContact O-CG2 3.31Å; M89-V93 PolarHBondContact O-N 2.92Å; M89-V93 VanDerWaalsContact O-N 3.16Å
90V89.8Confident83.8Confident4 Ų449.1 Ų49.12%0.02428%0.279CS..Hα-helixtrans-60.4-47.2173.6169.60000110.2L35 V85 T86 F87 D88 D92 V93 I94 V107 F337L35-V90 HydrophobicContact CD2-CG2 3.76Å; V85-V90 HydrophobicContact CG1-CG2 4.37Å; T86-V90 PolarHBondContact O-N 3.47Å; F87-V90 HydrophobicContact CD2-CB 4.3Å; F87-V90 HydrophobicContact CD2-CG1 4.4Å; F87-V90 HydrophobicContact CE2-CG1 4.23Å; F87-V90 WeakPolarHBondContact O-CB 3.28Å; F87-V90 PolarHBondContact O-N 3.3Å; F87-V90 VanDerWaalsContact O-N 3.15Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.96Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 3.48Å; V90-V93 PolarHBondContact O-N 2.93Å; V90-I94 HydrophobicContact CG1-CD1 3.87Å; V90-I94 HydrophobicContact CG1-CG1 4.39Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 2.81Å; V90-V107 HydrophobicContact CG1-CG2 4.48Å; V90-F337 HydrophobicContact CB-CD1 4.27Å; V90-F337 HydrophobicContact CG1-CB 3.75Å; V90-F337 HydrophobicContact CG1-CD1 3.62Å; V90-F337 HydrophobicContact CG1-CD2 4.22Å; V90-F337 HydrophobicContact CG1-CE1 4.24Å; V90-F337 HydrophobicContact CG1-CG 3.59Å; V90-F337 HydrophobicContact CG2-CD1 4.05Å
91V90Very high84.2Confident8 Ų849.7 Ų49.75%0.04830%0.295CS..Hα-helixtrans-59.9-39.9178.5166.80000112F87 D88 I94 K95 L301 L303F87-V91 HydrophobicContact CD1-CG2 3.72Å; F87-V91 HydrophobicContact CE1-CG2 3.52Å; F87-V91 HydrophobicContact CZ-CG2 4.27Å; F87-V91 VanDerWaalsContact O-CG2 3.3Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 3.11Å; D88-V91 WeakPolarHBondContact O-CB 3.38Å; D88-V91 PolarHBondContact O-N 3.42Å; V91-I94 PolarHBondContact O-N 2.81Å; V91-K95 HydrophobicContact CG1-CD 4.35Å; V91-K95 WeakPolarHBondContact O-CG 3.34Å; V91-K95 PolarHBondContact O-N 2.64Å; V91-L301 HydrophobicContact CG2-CD1 3.53Å; V91-L303 HydrophobicContact CG1-CD2 3.84Å
92D89.6Confident84.6Confident93 Ų9348 Ų4850%0.49729%0.286SS..Hα-helixtrans-66.6-37.1177.1-72.9-18.5000112.3D88 M89 V90 K95 A96D88-D92 PolarHBondContact O-N 3.13Å; M89-D92 PolarHBondContact O-N 3.38Å; V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 PolarHBondContact O-N 3.48Å; D92-K95 PolarHBondContact O-N 2.99Å; D92-K95 IonicContact OD1-NZ 2.71Å; D92-K95 PolarHBondContact OD1-NZ 3.25Å; D92-A96 WeakPolarHBondContact O-CB 3.21Å; D92-A96 PolarHBondContact O-N 2.97Å
93V90.3Very high85.2Confident46 Ų4649.7 Ų49.728%0.27930%0.296SS..Hα-helixtrans-65.7-44.1171.4-178.30000110.6L35 M89 V90 K95 A96 C97 F337L35-V93 HydrophobicContact CD1-CG2 4.05Å; M89-V93 WeakPolarHBondContact O-CG2 3.31Å; M89-V93 PolarHBondContact O-N 2.92Å; M89-V93 VanDerWaalsContact O-N 3.16Å; V90-V93 PolarHBondContact O-N 2.93Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 2.9Å; V93-A96 PolarHBondContact O-N 3.16Å; V93-A96 VanDerWaalsContact O-N 3.1Å; V93-C97 PolarHBondContact O-N 3.48Å; V93-C97 PolarHBondContact O-SG 3.47Å; V93-C97 VanDerWaalsContact O-SG 3.36Å; V93-F337 HydrophobicContact CB-CE1 3.99Å; V93-F337 HydrophobicContact CB-CZ 4.02Å; V93-F337 HydrophobicContact CG1-CE1 3.85Å; V93-F337 HydrophobicContact CG1-CZ 3.61Å
94I90.9Very high86.1Confident7 Ų750.4 Ų50.44%0.03630%0.301CS..Hα-helixtrans-57.2-46176.6-68.4173.7000110.6V90 V91 A96 C97 Q98 C105 V107 F337V90-I94 HydrophobicContact CG1-CD1 3.87Å; V90-I94 HydrophobicContact CG1-CG1 4.39Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 2.81Å; V91-I94 PolarHBondContact O-N 2.81Å; I94-A96 PolarHBondContact O-N 3.3Å; I94-C97 PolarHBondContact O-N 3Å; I94-Q98 WeakPolarHBondContact O-CG 3.3Å; I94-Q98 PolarHBondContact O-N 3.35Å; I94-Q98 VanDerWaalsContact O-N 3.08Å; I94-C105 HydrophobicContact CG1-CB 3.9Å; I94-C105 HydrophobicContact CG2-CB 4.27Å; I94-V107 HydrophobicContact CD1-CG2 3.82Å; I94-F337 HydrophobicContact CD1-CD2 4.39Å; I94-F337 HydrophobicContact CD1-CE2 4.42Å; I94-F337 HydrophobicContact CG1-CD2 4.24Å; I94-F337 HydrophobicContact CG1-CE2 3.79Å; I94-F337 HydrophobicContact CG1-CZ 4.19Å
95K91Very high86.9Confident92 Ų9249.8 Ų49.840%0.430%0.302SS..Hα-helixtrans-60.9-42.1175-71.8170.9-171.11600112.2V91 D92 V93 C97 Q98 L303V91-K95 HydrophobicContact CG1-CD 4.35Å; V91-K95 WeakPolarHBondContact O-CG 3.34Å; V91-K95 PolarHBondContact O-N 2.64Å; D92-K95 PolarHBondContact O-N 2.99Å; D92-K95 IonicContact OD1-NZ 2.71Å; D92-K95 PolarHBondContact OD1-NZ 3.25Å; V93-K95 VanDerWaalsContact C-N 3.31Å; V93-K95 PolarHBondContact O-N 2.9Å; K95-C97 PolarHBondContact O-N 2.97Å; K95-Q98 WeakPolarHBondContact O-CB 3.28Å; K95-Q98 PolarHBondContact O-N 3.31Å; K95-Q98 VanDerWaalsContact O-N 3.13Å; K95-L303 HydrophobicContact CD-CD2 4.3Å; K95-L303 HydrophobicContact CG-CD2 3.84Å
96A89.4Confident87.6Confident72 Ų7249.4 Ų49.460%0.59530%0.299SS*.Hα-helixtrans-65.6-27177.400000112.8D92 V93 I94D92-A96 WeakPolarHBondContact O-CB 3.21Å; D92-A96 PolarHBondContact O-N 2.97Å; V93-A96 PolarHBondContact O-N 3.16Å; V93-A96 VanDerWaalsContact O-N 3.1Å; I94-A96 PolarHBondContact O-N 3.3Å
97C88.5Confident88.2Confident13 Ų1348.1 Ų48.19%0.08829%0.291CS..Hα-helixtrans-80.9-20.8173.4-67.30000113.4V93 I94 K95 G99 L100 V103 C105V93-C97 PolarHBondContact O-N 3.48Å; V93-C97 PolarHBondContact O-SG 3.47Å; V93-C97 VanDerWaalsContact O-SG 3.36Å; I94-C97 PolarHBondContact O-N 3Å; K95-C97 PolarHBondContact O-N 2.97Å; C97-G99 PolarHBondContact O-N 2.75Å; C97-L100 WeakPolarHBondContact O-CB 3.28Å; C97-L100 PolarHBondContact O-N 2.86Å; C97-L100 VanDerWaalsContact O-N 3.11Å; C97-V103 HydrophobicContact CB-CG1 3.95Å; C97-C105 WeakPolarHBondContact CB-SG 3.49Å
98Q85.6Confident88.5Confident95 Ų9547.9 Ų47.944%0.44429%0.29SS..THydrogen-bonded Turntrans-61.8124.6177.9-74170.1-5.500110.1I94 K95I94-Q98 WeakPolarHBondContact O-CG 3.3Å; I94-Q98 PolarHBondContact O-N 3.35Å; I94-Q98 VanDerWaalsContact O-N 3.08Å; K95-Q98 WeakPolarHBondContact O-CB 3.28Å; K95-Q98 PolarHBondContact O-N 3.31Å; K95-Q98 VanDerWaalsContact O-N 3.13Å
99G79.7Confident88.8Confident81 Ų8143.7 Ų43.784%0.83527%0.268SS*.THydrogen-bonded Turntrans90.4-8.4-178.300000115C97C97-G99 PolarHBondContact O-N 2.75Å
100L84.5Confident89.1Confident89 Ų8943.3 Ų43.347%0.46627%0.265SS..  trans-70.9128169.4-64.7-178.3000109.6C97 N102 V103C97-L100 WeakPolarHBondContact O-CB 3.28Å; C97-L100 PolarHBondContact O-N 2.86Å; C97-L100 VanDerWaalsContact O-N 3.11Å; L100-N102 PolarHBondContact O-N 2.58Å; L100-V103 HydrophobicContact CB-CB 3.94Å; L100-V103 HydrophobicContact CB-CG2 3.86Å; L100-V103 HydrophobicContact CD1-CG2 4.4Å; L100-V103 PolarHBondContact O-N 3.1Å
101P82.9Confident89.2Confident104 Ų10443.6 Ų43.668%0.67527%0.266SS*.THydrogen-bonded Turntrans-63.8138179.726.7-34000110.4V103P101-V103 PolarHBondContact O-N 2.93Å; P101-V103 VanDerWaalsContact O-N 3.17Å
102N83.2Confident89.4Confident72 Ų7243.2 Ų43.239%0.38526%0.264SS..THydrogen-bonded Turntrans6118.5176.6-47.3-45.4000115.4L100 S331 T332 C333L100-N102 PolarHBondContact O-N 2.58Å; N102-S331 WeakPolarHBondContact CB-O 3.34Å; N102-T332 HydrophobicContact CB-CG2 4.3Å; N102-T332 WeakPolarHBondContact O-CA 3.18Å; N102-C333 PolarHBondContact O-N 3.44Å
103V86.5Confident89.6Confident37 Ų3739.5 Ų39.522%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-109.9126.9173.8178.90000109.4C97 L100 P101 C333 F335C97-V103 HydrophobicContact CB-CG1 3.95Å; L100-V103 HydrophobicContact CB-CB 3.94Å; L100-V103 HydrophobicContact CB-CG2 3.86Å; L100-V103 HydrophobicContact CD1-CG2 4.4Å; L100-V103 PolarHBondContact O-N 3.1Å; P101-V103 PolarHBondContact O-N 2.93Å; P101-V103 VanDerWaalsContact O-N 3.17Å; V103-C333 HydrophobicContact CG2-CB 4.49Å; V103-F335 HydrophobicContact CG1-CD2 3.48Å; V103-F335 VanDerWaalsContact CG1-CD2 3.48Å; V103-F335 HydrophobicContact CG1-CE2 3.51Å
104S89.7Confident89.9Confident23 Ų2337.3 Ų37.316%0.16123%0.231CC..EExtended strand (participates in β ladder)trans-119.8151.2171.2-68.40000109.9C333 A334 F335S104-C333 PolarHBondContact N-O 3.1Å; S104-A334 CarbonylContact O-C 3.56Å; S104-A334 WeakPolarHBondContact O-CA 3.14Å; S104-F335 PolarHBondContact O-N 2.69Å
105C91.7Very high90.2Very high29 Ų2937 Ų3720%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-116.1138.6173.1-63.20000109.7I94 C97 F335 F337I94-C105 HydrophobicContact CG1-CB 3.9Å; I94-C105 HydrophobicContact CG2-CB 4.27Å; C97-C105 WeakPolarHBondContact CB-SG 3.49Å; C105-F335 CarbonylContact C-O 3.57Å; C105-F335 WeakPolarHBondContact CA-O 3.4Å; C105-F337 HydrophobicContact CB-CE2 3.95Å
106L93.3Very high90.5Very high6 Ų632.6 Ų32.63%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-133.2128176.5-179.570.8000108.7Q115 L119 F251 A289 F335 V336 F337L106-Q115 HydrophobicContact CD2-CG 3.68Å; L106-L119 HydrophobicContact CD2-CD1 4.2Å; L106-F251 HydrophobicContact CD1-CD1 3.79Å; L106-F251 HydrophobicContact CD1-CE1 4.32Å; L106-A289 HydrophobicContact CD1-CB 3.94Å; L106-F335 PolarHBondContact N-O 3.34Å; L106-V336 CarbonylContact O-C 3.58Å; L106-V336 VanDerWaalsContact O-CA 3.24Å; L106-V336 WeakPolarHBondContact O-CA 3.26Å; L106-F337 PolarHBondContact O-N 3.38Å
107V94.1Very high90.9Very high2 Ų229.2 Ų29.21%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-94.8116.2169.9-178.90000107.8F87 V90 I94 L288 A289 F337 T339F87-V107 HydrophobicContact CE2-CG1 4.05Å; F87-V107 HydrophobicContact CE2-CG2 4.4Å; V90-V107 HydrophobicContact CG1-CG2 4.48Å; I94-V107 HydrophobicContact CD1-CG2 3.82Å; V107-L288 WeakPolarHBondContact CB-O 3.32Å; V107-A289 PolarHBondContact N-O 3.06Å; V107-A289 WeakPolarHBondContact O-CA 3.07Å; V107-F337 CarbonylContact C-O 3.56Å; V107-F337 HydrophobicContact CG2-CB 4.36Å; V107-T339 HydrophobicContact CG1-CG2 3.7Å
108A95Very high91.4Very high0 Ų028.7 Ų28.70%018%0.178CC..  trans-59.5142.7171.100000109.3Y110 Q115 V336 F337 T339A108-Y110 PolarHBondContact O-N 3.42Å; A108-Q115 HydrophobicContact CB-CB 3.54Å; A108-Q115 HydrophobicContact CB-CG 3.94Å; A108-V336 HydrophobicContact CB-CG1 4.25Å; A108-F337 WeakPolarHBondContact CB-O 3.47Å; A108-F337 PolarHBondContact N-O 3Å; A108-T339 WeakPolarHBondContact O-CG2 2.79Å
109P92.5Very high91.9Very high9 Ų924.1 Ų24.16%0.05816%0.157CC..SBendtrans-68.1-20.6179.430-37.6000113.7V249 Q258 T339P109-V249 HydrophobicContact CG-CG1 4.16Å; P109-V249 VanDerWaalsContact CG-O 3.3Å; P109-V249 WeakPolarHBondContact CG-O 3.12Å; P109-Q258 HydrophobicContact CB-CG 4.19Å; P109-Q258 VanDerWaalsContact CB-NE2 3.26Å; P109-Q258 HydrophobicContact CG-CG 4.39Å; P109-T339 PolarHBondContact O-OG1 2.91Å
110Y92.3Very high92.7Very high28 Ų2820.4 Ų20.411%0.1112%0.118CC..SBendtrans-140.7-122.2174.8-61.8-81.8000107.6A108 V249 G277 R278 E338 T339 V344 L353A108-Y110 PolarHBondContact O-N 3.42Å; Y110-V249 HydrophobicContact CD2-CB 3.87Å; Y110-V249 HydrophobicContact CD2-CG1 4.33Å; Y110-V249 HydrophobicContact CE2-CB 3.74Å; Y110-V249 HydrophobicContact CE2-CG1 4.01Å; Y110-V249 HydrophobicContact CE2-CG2 4.45Å; Y110-G277 VanDerWaalsContact CZ-CA 3.49Å; Y110-R278 PolarHBondContact OH-N 3.19Å; Y110-R278 PolarHBondContact OH-O 2.94Å; Y110-E338 WeakPolarHBondContact O-CG 3.31Å; Y110-T339 WeakPolarHBondContact CA-OG1 3.47Å; Y110-T339 PolarHBondContact O-N 3.23Å; Y110-V344 HydrophobicContact CD1-CG2 3.78Å; Y110-V344 HydrophobicContact CG-CG2 4.24Å; Y110-L353 HydrophobicContact CE1-CD2 3.76Å
111E92.2Very high93.2Very high9 Ų918.8 Ų18.84%0.04211%0.108CC..  trans-70.3137.2-178.8-65.6175.3-172.300111.9D113 Y188 Q248E111-D113 PolarHBondContact O-N 2.9Å; E111-Y188 PolarHBondContact OE2-OH 3.11Å; E111-Q248 PolarHBondContact OE2-NE2 3.35Å
112A93.9Very high93.8Very high0 Ų019.4 Ų19.40%010%0.097CC..Hα-helixtrans-60.9-28.1174.900000111.4Q115 L116 V336 E338A112-Q115 PolarHBondContact O-N 3.44Å; A112-L116 HydrophobicContact CB-CD1 4.4Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.46Å; A112-V336 HydrophobicContact CB-CG1 4.05Å; A112-E338 HydrophobicContact CB-CB 4.15Å
113D95Very high94.3Very high16 Ų1623.9 Ų23.99%0.08611%0.108CC..Hα-helixtrans-58-52.7-175.8-64.210.6000113.1E111 Q115 L116 C117 L135 F138E111-D113 PolarHBondContact O-N 2.9Å; D113-Q115 VanDerWaalsContact C-N 3.34Å; D113-L116 PolarHBondContact O-N 3.31Å; D113-C117 WeakPolarHBondContact O-CB 3.38Å; D113-C117 PolarHBondContact O-N 3.26Å; D113-L135 VanDerWaalsContact CA-CD2 3.43Å; D113-L135 HydrophobicContact CB-CD2 3.83Å; D113-L135 VanDerWaalsContact O-CD2 3.28Å; D113-L135 WeakPolarHBondContact O-CD2 3.05Å; D113-F138 HydrophobicContact CB-CD2 3.71Å; D113-F138 HydrophobicContact CB-CE2 3.4Å; D113-F138 VanDerWaalsContact CB-CE2 3.4Å; D113-F138 HydrophobicContact CB-CZ 4.19Å
114A96.5Very high94.5Very high0 Ų022.8 Ų22.80%010%0.101CC..Hα-helixtrans-64.9-39.7175.900000111.6L116 C117 F118 F138 Q248 V250 L261A114-L116 PolarHBondContact O-N 2.84Å; A114-C117 WeakPolarHBondContact O-CB 3.49Å; A114-C117 PolarHBondContact O-N 2.62Å; A114-F118 PolarHBondContact O-N 3.34Å; A114-F138 HydrophobicContact CB-CD1 4.22Å; A114-F138 HydrophobicContact CB-CE1 3.68Å; A114-F138 HydrophobicContact CB-CZ 4.08Å; A114-Q248 HydrophobicContact CB-CB 3.9Å; A114-Q248 HydrophobicContact CB-CG 4.09Å; A114-V250 VanDerWaalsContact C-CG1 3.49Å; A114-V250 HydrophobicContact CB-CG1 3.64Å; A114-L261 HydrophobicContact CB-CD2 4.26Å; A114-L261 WeakPolarHBondContact O-CD1 3.21Å
115Q97.5Very high94.7Very high0 Ų021.9 Ų21.90%010%0.095CC..Hα-helixtrans-62.5-45.7178.9-176.264.665.100111.6L106 A108 A112 D113 C117 F118 L119 F251 V336L106-Q115 HydrophobicContact CD2-CG 3.68Å; A108-Q115 HydrophobicContact CB-CB 3.54Å; A108-Q115 HydrophobicContact CB-CG 3.94Å; A112-Q115 PolarHBondContact O-N 3.44Å; D113-Q115 VanDerWaalsContact C-N 3.34Å; Q115-C117 VanDerWaalsContact C-N 3.31Å; Q115-C117 PolarHBondContact O-N 3.05Å; Q115-F118 WeakPolarHBondContact O-CB 3.38Å; Q115-F118 PolarHBondContact O-N 2.99Å; Q115-L119 WeakPolarHBondContact O-CG 3.24Å; Q115-L119 PolarHBondContact O-N 3.01Å; Q115-F251 PolarHBondContact NE2-O 2.89Å; Q115-F251 PolarHBondContact OE1-O 2.84Å; Q115-V336 HydrophobicContact CB-CG1 3.95Å; Q115-V336 HydrophobicContact CG-CG1 3.69Å
116L97.4Very high94.8Very high0 Ų021.7 Ų21.70%09%0.092CC..Hα-helixtrans-61.7-41.2175.6-71.5167.6000111.2A28 D30 A112 D113 A114 L119 S120 V128 L135 V336A28-L116 HydrophobicContact CB-CD2 3.45Å; A28-L116 VanDerWaalsContact CB-CD2 3.45Å; D30-L116 HydrophobicContact CB-CD1 3.64Å; A112-L116 HydrophobicContact CB-CD1 4.4Å; A112-L116 WeakPolarHBondContact O-CB 3.48Å; A112-L116 WeakPolarHBondContact O-CG 3.47Å; A112-L116 PolarHBondContact O-N 3.46Å; D113-L116 PolarHBondContact O-N 3.31Å; A114-L116 PolarHBondContact O-N 2.84Å; L116-L119 PolarHBondContact O-N 3.17Å; L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 3.35Å; L116-V128 HydrophobicContact CB-CG1 4.15Å; L116-V128 HydrophobicContact CB-CG2 4.38Å; L116-V128 HydrophobicContact CD1-CG1 4.09Å; L116-V128 HydrophobicContact CD2-CG1 3.95Å; L116-V128 HydrophobicContact CG-CG1 4.29Å; L116-L135 HydrophobicContact CB-CD2 4.03Å; L116-L135 HydrophobicContact CD1-CD1 4.28Å; L116-L135 HydrophobicContact CD1-CD2 4.23Å; L116-V336 HydrophobicContact CD2-CB 3.75Å; L116-V336 HydrophobicContact CD2-CG1 4.36Å; L116-V336 HydrophobicContact CD2-CG2 3.55Å; L116-V336 HydrophobicContact CG-CB 4.11Å; L116-V336 HydrophobicContact CG-CG1 4.23Å; L116-V336 HydrophobicContact CG-CG2 4.29Å
117C97.9Very high94.9Very high0 Ų021.4 Ų21.40%09%0.09CC..Hα-helixtrans-61.1-44.4174.2-168.20000112.3D113 A114 Q115 S120 Q121 F138 G139 C140 L261D113-C117 WeakPolarHBondContact O-CB 3.38Å; D113-C117 PolarHBondContact O-N 3.26Å; A114-C117 WeakPolarHBondContact O-CB 3.49Å; A114-C117 PolarHBondContact O-N 2.62Å; Q115-C117 VanDerWaalsContact C-N 3.31Å; Q115-C117 PolarHBondContact O-N 3.05Å; C117-S120 PolarHBondContact O-N 3.21Å; C117-Q121 WeakPolarHBondContact O-CB 3.41Å; C117-Q121 WeakPolarHBondContact O-CG 3.48Å; C117-Q121 PolarHBondContact O-N 3.06Å; C117-Q121 PolarHBondContact SG-NE2 3.24Å; C117-Q121 VanDerWaalsContact SG-NE2 3.35Å; C117-F138 HydrophobicContact CB-CB 3.88Å; C117-F138 PolarHBondContact SG-O 2.99Å; C117-G139 VanDerWaalsContact SG-C 3.57Å; C117-C140 WeakPolarHBondContact CA-SG 3.14Å; C117-C140 PolarHBondContact SG-N 3.21Å; C117-L261 HydrophobicContact CB-CD1 4.03Å; C117-L261 HydrophobicContact CB-CD2 4.32Å
118F97.9Very high95Very high2 Ų221.3 Ų21.31%0.0099%0.09CC..Hα-helixtrans-59-50.4176.9179-93.5000111.4A114 Q115 S120 Q121 R122 L124 V250 D252 V259 L261A114-F118 PolarHBondContact O-N 3.34Å; Q115-F118 WeakPolarHBondContact O-CB 3.38Å; Q115-F118 PolarHBondContact O-N 2.99Å; F118-S120 VanDerWaalsContact C-N 3.28Å; F118-S120 PolarHBondContact O-N 2.95Å; F118-Q121 PolarHBondContact O-N 3.47Å; F118-R122 HydrophobicContact CD1-CG 4.29Å; F118-R122 HydrophobicContact CD2-CG 4.16Å; F118-R122 HydrophobicContact CE1-CG 3.99Å; F118-R122 HydrophobicContact CE2-CG 3.89Å; F118-R122 HydrophobicContact CG-CG 4.36Å; F118-R122 HydrophobicContact CZ-CG 3.8Å; F118-R122 WeakPolarHBondContact O-CB 3.2Å; F118-R122 VanDerWaalsContact O-CG 3.25Å; F118-R122 WeakPolarHBondContact O-CG 3.23Å; F118-R122 PolarHBondContact O-N 2.88Å; F118-L124 HydrophobicContact CE1-CD1 4.38Å; F118-V250 HydrophobicContact CB-CB 4.24Å; F118-V250 HydrophobicContact CB-CG1 4.26Å; F118-V250 HydrophobicContact CB-CG2 3.9Å; F118-V250 HydrophobicContact CD1-CG2 4.38Å; F118-V250 HydrophobicContact CD2-CG2 3.56Å; F118-V250 HydrophobicContact CE2-CG2 4.14Å; F118-V250 HydrophobicContact CG-CB 4.42Å; F118-V250 HydrophobicContact CG-CG2 3.68Å; F118-D252 HydrophobicContact CE1-CB 4.14Å; F118-D252 HydrophobicContact CZ-CB 3.84Å; F118-V259 HydrophobicContact CE2-CG2 3.84Å; F118-V259 HydrophobicContact CZ-CG2 4.13Å; F118-L261 HydrophobicContact CB-CD1 3.66Å; F118-L261 HydrophobicContact CD2-CD1 4.43Å
119L96.7Very high95.1Very high0 Ų021.7 Ų21.70%09%0.091CC..Hα-helixtrans-58.7-41.8178.1-62.5177.9000111.6A28 L106 Q115 L116 R123 L124 V125 P253 V336A28-L119 HydrophobicContact CB-CD1 4.17Å; L106-L119 HydrophobicContact CD2-CD1 4.2Å; Q115-L119 WeakPolarHBondContact O-CG 3.24Å; Q115-L119 PolarHBondContact O-N 3.01Å; L116-L119 PolarHBondContact O-N 3.17Å; L119-R123 PolarHBondContact O-N 3.48Å; L119-L124 HydrophobicContact CB-CB 4.44Å; L119-L124 HydrophobicContact CD2-CB 4.2Å; L119-L124 HydrophobicContact CD2-CD1 3.66Å; L119-L124 PolarHBondContact O-N 3.04Å; L119-V125 HydrophobicContact CB-CG1 4.44Å; L119-V125 HydrophobicContact CB-CG2 3.87Å; L119-V125 PolarHBondContact O-N 3.31Å; L119-P253 HydrophobicContact CD2-CG 4.19Å; L119-V336 HydrophobicContact CD1-CG2 3.87Å
120S96.3Very high95.3Very high3 Ų321.2 Ų21.22%0.0219%0.089CC..Hα-helixtrans-66.2-46.3178.5176.60000112.6L116 C117 F118 R123 T141L116-S120 WeakPolarHBondContact O-CB 3.46Å; L116-S120 PolarHBondContact O-N 3.35Å; C117-S120 PolarHBondContact O-N 3.21Å; F118-S120 VanDerWaalsContact C-N 3.28Å; F118-S120 PolarHBondContact O-N 2.95Å; S120-R123 PolarHBondContact O-N 2.97Å; S120-T141 PolarHBondContact OG-N 3.29Å; S120-T141 VanDerWaalsContact OG-N 3.12Å; S120-T141 PolarHBondContact OG-OG1 3.42Å
121Q95.5Very high95.2Very high55 Ų5522 Ų2226%0.2579%0.093SC..Hα-helixtrans-70.6-33.1-178.7-72.8-178.5-9.300112.7C117 F118 R123 G139C117-Q121 WeakPolarHBondContact O-CB 3.41Å; C117-Q121 WeakPolarHBondContact O-CG 3.48Å; C117-Q121 PolarHBondContact O-N 3.06Å; C117-Q121 PolarHBondContact SG-NE2 3.24Å; C117-Q121 VanDerWaalsContact SG-NE2 3.35Å; F118-Q121 PolarHBondContact O-N 3.47Å; Q121-R123 PolarHBondContact O-N 2.63Å; Q121-G139 PolarHBondContact NE2-O 2.92Å
122R94.7Very high95.2Very high116 Ų11623.3 Ų23.344%0.43810%0.1SC..THydrogen-bonded Turntrans-80.3-0.1175.8-62.1-58.9179148.8-3.6113.7F118 L124F118-R122 HydrophobicContact CD1-CG 4.29Å; F118-R122 HydrophobicContact CD2-CG 4.16Å; F118-R122 HydrophobicContact CE1-CG 3.99Å; F118-R122 HydrophobicContact CE2-CG 3.89Å; F118-R122 HydrophobicContact CG-CG 4.36Å; F118-R122 HydrophobicContact CZ-CG 3.8Å; F118-R122 WeakPolarHBondContact O-CB 3.2Å; F118-R122 VanDerWaalsContact O-CG 3.25Å; F118-R122 WeakPolarHBondContact O-CG 3.23Å; F118-R122 PolarHBondContact O-N 2.88Å; R122-L124 HydrophobicContact CB-CD1 4.22Å; R122-L124 HydrophobicContact CB-CG 4.01Å; R122-L124 PolarHBondContact O-N 2.71Å
123R93Very high95.1Very high167 Ų16723.9 Ų23.963%0.6310%0.104SC*.THydrogen-bonded Turntrans56.131.2-176-52.3-177.2-179.1-170.6-0.2112.7L119 S120 Q121 V125 S318L119-R123 PolarHBondContact O-N 3.48Å; S120-R123 PolarHBondContact O-N 2.97Å; Q121-R123 PolarHBondContact O-N 2.63Å; R123-V125 VanDerWaalsContact C-N 3.3Å; R123-S318 WeakPolarHBondContact O-CB 3.48Å
124L91.4Very high95Very high14 Ų1423.2 Ų23.27%0.07310%0.101CC..SBendtrans-75.4-30.2168.1-62.9175.2000109.8S26 F118 L119 R122 P253 I316 S318S26-L124 PolarHBondContact OG-O 3.07Å; F118-L124 HydrophobicContact CE1-CD1 4.38Å; L119-L124 HydrophobicContact CB-CB 4.44Å; L119-L124 HydrophobicContact CD2-CB 4.2Å; L119-L124 HydrophobicContact CD2-CD1 3.66Å; L119-L124 PolarHBondContact O-N 3.04Å; R122-L124 HydrophobicContact CB-CD1 4.22Å; R122-L124 HydrophobicContact CB-CG 4.01Å; R122-L124 PolarHBondContact O-N 2.71Å; L124-P253 HydrophobicContact CD1-CG 3.75Å; L124-I316 CarbonylContact O-C 3.58Å; L124-I316 WeakPolarHBondContact O-CG2 3.37Å; L124-S318 PolarHBondContact O-N 3.35Å
125V93.2Very high95Very high4 Ų423.2 Ų23.22%0.02410%0.101CC..  trans-125.3146.2170.2-59.90000112.4S26 A28 L119 R123 V128 I316S26-V125 VanDerWaalsContact OG-CA 3.27Å; S26-V125 WeakPolarHBondContact OG-CA 3.39Å; A28-V125 HydrophobicContact CB-CB 4.24Å; A28-V125 HydrophobicContact CB-CG1 3.86Å; A28-V125 HydrophobicContact CB-CG2 3.87Å; L119-V125 HydrophobicContact CB-CG1 4.44Å; L119-V125 HydrophobicContact CB-CG2 3.87Å; L119-V125 PolarHBondContact O-N 3.31Å; R123-V125 VanDerWaalsContact C-N 3.3Å; V125-V128 HydrophobicContact CG2-CG2 4.26Å; V125-I316 HydrophobicContact CG1-CG2 3.56Å
126D93.6Very high95Very high25 Ų2523.2 Ų23.213%0.13410%0.101CC..SBendtrans-83.9-29.3178.8-60.1-62.2000112.7M25 S26 S318M25-D126 HydrophobicContact CB-CB 3.96Å; M25-D126 WeakPolarHBondContact CB-OD2 3.28Å; M25-D126 HydrophobicContact CG-CB 4.38Å; M25-D126 HydrophobicContact SD-CB 4.2Å; S26-D126 PolarHBondContact N-OD2 3.25Å; S26-D126 WeakPolarHBondContact O-CB 3.33Å; S26-D126 PolarHBondContact O-N 3.05Å; S26-D126 VanDerWaalsContact OG-CG 3.3Å; S26-D126 PolarHBondContact OG-N 3.33Å; S26-D126 VanDerWaalsContact OG-N 3.08Å; S26-D126 PolarHBondContact OG-OD2 3.38Å; D126-S318 VanDerWaalsContact OD1-CB 3.26Å; D126-S318 WeakPolarHBondContact OD1-CB 3.2Å; D126-S318 PolarHBondContact OD1-OG 2.87Å
127V96.1Very high94.9Very high0 Ų023.2 Ų23.20%010%0.101CC..EExtended strand (participates in β ladder)trans-145142.4-176.4-176.10000110F22 S26 V27 A28 K142 L144F22-V127 HydrophobicContact CB-CG2 4.34Å; F22-V127 HydrophobicContact CD1-CG2 3.41Å; F22-V127 VanDerWaalsContact CD1-CG2 3.41Å; F22-V127 HydrophobicContact CD2-CG1 4.29Å; F22-V127 HydrophobicContact CD2-CG2 4.18Å; F22-V127 HydrophobicContact CE1-CG2 3.65Å; F22-V127 HydrophobicContact CE2-CG1 4.1Å; F22-V127 HydrophobicContact CE2-CG2 4.39Å; F22-V127 HydrophobicContact CG-CG2 3.7Å; F22-V127 HydrophobicContact CZ-CG1 4.24Å; F22-V127 HydrophobicContact CZ-CG2 4.15Å; S26-V127 PolarHBondContact O-N 3.49Å; V27-V127 CarbonylContact C-O 3.58Å; V27-V127 VanDerWaalsContact CA-O 3.31Å; V27-V127 WeakPolarHBondContact CA-O 3.35Å; V27-V127 HydrophobicContact CG2-CB 4.46Å; A28-V127 PolarHBondContact N-O 3.12Å; V127-K142 HydrophobicContact CG2-CD 3.68Å; V127-K142 HydrophobicContact CG2-CG 4.43Å; V127-L144 HydrophobicContact CG1-CB 4.27Å
128V97.5Very high94.9Very high0 Ų023.5 Ų23.50%010%0.102CC..EExtended strand (participates in β ladder)trans-104140166176.20000110.1A28 L116 V125 L135 K142 V143 L144A28-V128 HydrophobicContact CB-CG2 4.42Å; A28-V128 CarbonylContact O-C 3.52Å; A28-V128 VanDerWaalsContact O-CA 3.26Å; A28-V128 WeakPolarHBondContact O-CA 3.5Å; L116-V128 HydrophobicContact CB-CG1 4.15Å; L116-V128 HydrophobicContact CB-CG2 4.38Å; L116-V128 HydrophobicContact CD1-CG1 4.09Å; L116-V128 HydrophobicContact CD2-CG1 3.95Å; L116-V128 HydrophobicContact CG-CG1 4.29Å; V125-V128 HydrophobicContact CG2-CG2 4.26Å; V128-L135 HydrophobicContact CG1-CD1 3.58Å; V128-K142 PolarHBondContact N-O 3.47Å; V128-V143 HydrophobicContact CB-CG1 4.27Å; V128-V143 HydrophobicContact CB-CG2 4.31Å; V128-V143 HydrophobicContact CG1-CG1 4.26Å; V128-V143 CarbonylContact O-C 3.59Å; V128-V143 VanDerWaalsContact O-CA 3.24Å; V128-V143 WeakPolarHBondContact O-CA 3.26Å; V128-V143 WeakPolarHBondContact O-CG1 3.45Å; V128-L144 PolarHBondContact O-N 2.85Å
129I96.8Very high94.9Very high7 Ų723.4 Ų23.44%0.03610%0.102CC..EExtended strand (participates in β ladder)trans-109.7121.5169.1-57.7174.4000108V19 V27 A28 V29 D30 W34 L144 M147V19-I129 HydrophobicContact CG2-CD1 4.37Å; V27-I129 HydrophobicContact CG1-CD1 3.59Å; V27-I129 HydrophobicContact CG1-CG1 3.7Å; A28-I129 PolarHBondContact O-N 2.89Å; V29-I129 HydrophobicContact CG2-CB 4.3Å; V29-I129 HydrophobicContact CG2-CD1 4.23Å; D30-I129 PolarHBondContact N-O 3.4Å; W34-I129 HydrophobicContact CZ2-CG2 3.84Å; I129-L144 HydrophobicContact CD1-CD2 4.47Å; I129-L144 HydrophobicContact CG1-CB 4.23Å; I129-L144 HydrophobicContact CG1-CD2 4.28Å; I129-M147 HydrophobicContact CD1-CE 4.4Å; I129-M147 HydrophobicContact CD1-SD 3.88Å; I129-M147 HydrophobicContact CG2-CB 4.08Å; I129-M147 HydrophobicContact CG2-CE 4.35Å; I129-M147 HydrophobicContact CG2-SD 4.22Å
130S95Very high94.9Very high0 Ų023.4 Ų23.40%010%0.102CC..EExtended strand (participates in β ladder)trans-156.1167.5178177.80000110.7D30 D132 L144 F145D30-S130 PolarHBondContact OD2-OG 3.48Å; S130-D132 PolarHBondContact OG-N 3.29Å; S130-L144 PolarHBondContact N-O 2.87Å; S130-F145 VanDerWaalsContact O-CA 3.28Å; S130-F145 WeakPolarHBondContact O-CA 3.36Å; S130-F145 WeakPolarHBondContact O-CD1 3.48Å
131E91.2Very high94.9Very high45 Ų4526 Ų2621%0.2112%0.118CC..SBendtrans-101-13.8168.3-64.1-73.3161.800112.1K37 K146K37-E131 VanDerWaalsContact NZ-CG 3.29Å; K37-E131 IonicContact NZ-OE1 3.88Å; K37-E131 PolarHBondContact NZ-OE1 2.87Å; K37-E131 IonicContact NZ-OE2 3.75Å; K37-E131 PolarHBondContact NZ-OE2 2.92Å; K37-E131 VanDerWaalsContact NZ-OE2 3.16Å; E131-K146 VanDerWaalsContact OE1-CA 3.28Å; E131-K146 WeakPolarHBondContact OE1-CA 3.28Å
132D91.5Very high94.9Very high36 Ų3626.4 Ų26.419%0.19312%0.118CC..  trans-88.7115.3-170.7-152.9-33.2000111.9S130 D134 L135 F145S130-D132 PolarHBondContact OG-N 3.29Å; D132-D134 PolarHBondContact O-N 2.77Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 3.39Å; D132-L135 PolarHBondContact O-N 2.71Å; D132-F145 WeakPolarHBondContact O-CE1 3.36Å
133S93.5Very high95.1Very high12 Ų1220.9 Ų20.98%0.08410%0.098CC..THydrogen-bonded Turntrans-68.9-12.9176.954.10000113.8F7 L135 I136 P137F7-S133 VanDerWaalsContact CE2-CB 3.48Å; S133-L135 PolarHBondContact O-N 3.45Å; S133-I136 VanDerWaalsContact O-CB 3.27Å; S133-I136 WeakPolarHBondContact O-CB 3.5Å; S133-I136 VanDerWaalsContact O-CG1 3.3Å; S133-I136 WeakPolarHBondContact O-CG1 3.24Å; S133-I136 PolarHBondContact O-N 2.83Å; S133-P137 WeakPolarHBondContact O-CD 3.35Å
134D92.7Very high95.3Very high2 Ų212.9 Ų12.91%0.0117%0.068CC..THydrogen-bonded Turntrans-67.9-17.2-179.8-73.920.2000111.7G2 I3 D132 I136 P137 F138G2-D134 WeakPolarHBondContact CA-OD1 3.18Å; G2-D134 WeakPolarHBondContact CA-OD2 3.44Å; I3-D134 PolarHBondContact N-OD1 3.25Å; D132-D134 PolarHBondContact O-N 2.77Å; D132-D134 WeakPolarHBondContact OD1-CB 3.33Å; D132-D134 PolarHBondContact OD1-N 3.39Å; D134-I136 PolarHBondContact O-N 3.34Å; D134-I136 VanDerWaalsContact O-N 3.13Å; D134-P137 WeakPolarHBondContact O-CD 3.34Å; D134-P137 WeakPolarHBondContact O-CG 3.48Å; D134-F138 VanDerWaalsContact O-CD2 3.24Å; D134-F138 WeakPolarHBondContact O-CD2 3.34Å; D134-F138 PolarHBondContact O-N 3.28Å
135L95.7Very high95.5Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-55.4-28.1165.1-70.3-169.3000114.1D113 L116 V128 D132 S133 G139 C140 V143D113-L135 VanDerWaalsContact CA-CD2 3.43Å; D113-L135 HydrophobicContact CB-CD2 3.83Å; D113-L135 VanDerWaalsContact O-CD2 3.28Å; D113-L135 WeakPolarHBondContact O-CD2 3.05Å; L116-L135 HydrophobicContact CB-CD2 4.03Å; L116-L135 HydrophobicContact CD1-CD1 4.28Å; L116-L135 HydrophobicContact CD1-CD2 4.23Å; V128-L135 HydrophobicContact CG1-CD1 3.58Å; D132-L135 PolarHBondContact O-N 2.71Å; S133-L135 PolarHBondContact O-N 3.45Å; L135-G139 PolarHBondContact O-N 3.33Å; L135-C140 HydrophobicContact CB-CB 4.26Å; L135-C140 WeakPolarHBondContact O-CB 3.43Å; L135-C140 PolarHBondContact O-N 3.05Å; L135-V143 HydrophobicContact CB-CG2 4.46Å; L135-V143 HydrophobicContact CD1-CG1 3.96Å; L135-V143 HydrophobicContact CD1-CG2 4.35Å
136I96.6Very high95.4Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-66.6-56.8-178.7-58.4178.6000110.7V10 S133 D134 F138 G139 F145 Y156 F174 F177V10-I136 HydrophobicContact CB-CD1 4.21Å; V10-I136 HydrophobicContact CG1-CD1 4.19Å; V10-I136 HydrophobicContact CG1-CG2 4.5Å; V10-I136 HydrophobicContact CG2-CD1 3.68Å; S133-I136 VanDerWaalsContact O-CB 3.27Å; S133-I136 WeakPolarHBondContact O-CB 3.5Å; S133-I136 VanDerWaalsContact O-CG1 3.3Å; S133-I136 WeakPolarHBondContact O-CG1 3.24Å; S133-I136 PolarHBondContact O-N 2.83Å; D134-I136 PolarHBondContact O-N 3.34Å; D134-I136 VanDerWaalsContact O-N 3.13Å; I136-F138 VanDerWaalsContact C-N 3.31Å; I136-F138 PolarHBondContact O-N 3.3Å; I136-G139 WeakPolarHBondContact O-CA 3.27Å; I136-G139 PolarHBondContact O-N 3.12Å; I136-F145 HydrophobicContact CD1-CE2 3.85Å; I136-F145 HydrophobicContact CD1-CZ 4.02Å; I136-F145 HydrophobicContact CG1-CE2 3.96Å; I136-F145 HydrophobicContact CG1-CZ 3.74Å; I136-Y156 HydrophobicContact CD1-CD2 4.26Å; I136-Y156 HydrophobicContact CD1-CE2 4.28Å; I136-Y156 HydrophobicContact CD1-CG 4.5Å; I136-Y156 HydrophobicContact CG1-CD1 4.3Å; I136-Y156 HydrophobicContact CG1-CE1 4.12Å; I136-Y156 HydrophobicContact CG1-CE2 4.41Å; I136-Y156 HydrophobicContact CG2-CE1 4.31Å; I136-Y156 HydrophobicContact CG2-CE2 4.07Å; I136-Y156 WeakPolarHBondContact CG2-OH 3.36Å; I136-F174 WeakPolarHBondContact O-CZ 3.48Å; I136-F177 HydrophobicContact CG2-CE1 3.54Å; I136-F177 HydrophobicContact CG2-CZ 3.85Å
137P97.2Very high95.4Very high0 Ų017.4 Ų17.40%09%0.086CC..Hα-helixtrans-65.8-25.3176.924.7-36.2000114.8I3 S133 D134 G139 R178 C181 F245I3-P137 HydrophobicContact CD1-CB 4.49Å; I3-P137 HydrophobicContact CD1-CG 3.56Å; S133-P137 WeakPolarHBondContact O-CD 3.35Å; D134-P137 WeakPolarHBondContact O-CD 3.34Å; D134-P137 WeakPolarHBondContact O-CG 3.48Å; P137-G139 PolarHBondContact O-N 3.13Å; P137-R178 HydrophobicContact CB-CB 4.38Å; P137-R178 HydrophobicContact CB-CG 4.03Å; P137-R178 WeakPolarHBondContact O-CD 3.3Å; P137-R178 WeakPolarHBondContact O-CG 3.29Å; P137-C181 HydrophobicContact CB-CB 3.99Å; P137-C181 HydrophobicContact CG-CB 4.32Å; P137-F245 HydrophobicContact CB-CD1 4.25Å; P137-F245 HydrophobicContact CB-CE1 3.96Å; P137-F245 HydrophobicContact CB-CZ 4.3Å; P137-F245 HydrophobicContact CG-CD1 4.34Å; P137-F245 HydrophobicContact CG-CE1 3.61Å; P137-F245 HydrophobicContact CG-CZ 3.94Å
138F97.5Very high95.2Very high5 Ų521 Ų212%0.02211%0.105CC..Hα-helixtrans-60.8-34166.6-86.9-69.9000111.7D113 A114 C117 D134 I136 Y188 F245 L261D113-F138 HydrophobicContact CB-CD2 3.71Å; D113-F138 HydrophobicContact CB-CE2 3.4Å; D113-F138 VanDerWaalsContact CB-CE2 3.4Å; D113-F138 HydrophobicContact CB-CZ 4.19Å; A114-F138 HydrophobicContact CB-CD1 4.22Å; A114-F138 HydrophobicContact CB-CE1 3.68Å; A114-F138 HydrophobicContact CB-CZ 4.08Å; C117-F138 HydrophobicContact CB-CB 3.88Å; C117-F138 PolarHBondContact SG-O 2.99Å; D134-F138 VanDerWaalsContact O-CD2 3.24Å; D134-F138 WeakPolarHBondContact O-CD2 3.34Å; D134-F138 PolarHBondContact O-N 3.28Å; I136-F138 VanDerWaalsContact C-N 3.31Å; I136-F138 PolarHBondContact O-N 3.3Å; F138-Y188 VanDerWaalsContact CZ-OH 3.23Å; F138-Y188 WeakPolarHBondContact CZ-OH 3.44Å; F138-F245 AromaticContact CD1-CD1 3.81Å; F138-F245 HydrophobicContact CD1-CD1 3.81Å; F138-F245 WeakPolarHBondContact CD1-O 3.38Å; F138-F245 AromaticContact CD2-CD1 3.71Å; F138-F245 HydrophobicContact CD2-CD1 3.71Å; F138-F245 AromaticContact CD2-CE1 3.72Å; F138-F245 HydrophobicContact CD2-CE1 3.72Å; F138-F245 AromaticContact CE1-CD1 3.88Å; F138-F245 HydrophobicContact CE1-CD1 3.88Å; F138-F245 AromaticContact CE2-CD1 3.75Å; F138-F245 HydrophobicContact CE2-CD1 3.75Å; F138-F245 AromaticContact CE2-CE1 3.67Å; F138-F245 HydrophobicContact CE2-CE1 3.67Å; F138-F245 AromaticContact CG-CD1 3.74Å; F138-F245 HydrophobicContact CG-CD1 3.74Å; F138-F245 HydrophobicContact CG-CE1 4.2Å; F138-F245 AromaticContact CZ-CD1 3.85Å; F138-F245 HydrophobicContact CZ-CD1 3.85Å; F138-F245 HydrophobicContact CZ-CE1 4.17Å; F138-L261 HydrophobicContact CD1-CD2 3.52Å; F138-L261 HydrophobicContact CE1-CD2 4.08Å
139G97Very high94.8Very high0 Ų030 Ų300%015%0.151CC..THydrogen-bonded Turntrans10229.1173.900000114.3C117 Q121 L135 I136 P137 R158C117-G139 VanDerWaalsContact SG-C 3.57Å; Q121-G139 PolarHBondContact NE2-O 2.92Å; L135-G139 PolarHBondContact O-N 3.33Å; I136-G139 WeakPolarHBondContact O-CA 3.27Å; I136-G139 PolarHBondContact O-N 3.12Å; P137-G139 PolarHBondContact O-N 3.13Å; G139-R158 PolarHBondContact O-NH1 3.14Å
140C97.1Very high94.6Very high0 Ų033.1 Ų33.10%017%0.174CC..  trans-50.4137.5164.9-73.60000110.4C117 L135 V143C117-C140 WeakPolarHBondContact CA-SG 3.14Å; C117-C140 PolarHBondContact SG-N 3.21Å; L135-C140 HydrophobicContact CB-CB 4.26Å; L135-C140 WeakPolarHBondContact O-CB 3.43Å; L135-C140 PolarHBondContact O-N 3.05Å; C140-V143 HydrophobicContact CB-CG2 3.49Å; C140-V143 VanDerWaalsContact CB-CG2 3.49Å
141T95.5Very high94.5Very high59 Ų5933.3 Ų33.336%0.36218%0.176SC..SBendtrans-83.2-40-172.757.50000112.1S120 R158S120-T141 PolarHBondContact OG-N 3.29Å; S120-T141 VanDerWaalsContact OG-N 3.12Å; S120-T141 PolarHBondContact OG-OG1 3.42Å; T141-R158 WeakPolarHBondContact O-CB 3.41Å; T141-R158 PolarHBondContact O-N 3.17Å
142K96.7Very high94.8Very high62 Ų6233.9 Ų33.927%0.2718%0.184SC..EExtended strand (participates in β ladder)trans-144.6120.2-177.2-170.8-174.1-66.2159.40110.5V127 V128 L155 Y156 E157V127-K142 HydrophobicContact CG2-CD 3.68Å; V127-K142 HydrophobicContact CG2-CG 4.43Å; V128-K142 PolarHBondContact N-O 3.47Å; K142-L155 HydrophobicContact CD-CD1 4.07Å; K142-L155 HydrophobicContact CG-CD1 3.51Å; K142-L155 HydrophobicContact CG-CG 4.39Å; K142-Y156 WeakPolarHBondContact CA-O 3.42Å; K142-E157 HydrophobicContact CG-CG 4.39Å
143V97.7Very high95Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-133.4123.8-176.4-167.90000110.7V128 L135 C140 F145 Y156V128-V143 HydrophobicContact CB-CG1 4.27Å; V128-V143 HydrophobicContact CB-CG2 4.31Å; V128-V143 HydrophobicContact CG1-CG1 4.26Å; V128-V143 CarbonylContact O-C 3.59Å; V128-V143 VanDerWaalsContact O-CA 3.24Å; V128-V143 WeakPolarHBondContact O-CA 3.26Å; V128-V143 WeakPolarHBondContact O-CG1 3.45Å; L135-V143 HydrophobicContact CB-CG2 4.46Å; L135-V143 HydrophobicContact CD1-CG1 3.96Å; L135-V143 HydrophobicContact CD1-CG2 4.35Å; C140-V143 HydrophobicContact CB-CG2 3.49Å; C140-V143 VanDerWaalsContact CB-CG2 3.49Å; V143-F145 HydrophobicContact CB-CD2 4.32Å; V143-F145 HydrophobicContact CB-CE1 4.06Å; V143-F145 HydrophobicContact CB-CE2 3.82Å; V143-F145 HydrophobicContact CB-CZ 3.66Å; V143-F145 HydrophobicContact CG1-CD1 3.72Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 3.32Å; V143-F145 HydrophobicContact CG1-CE2 3.98Å; V143-F145 HydrophobicContact CG1-CG 4.18Å; V143-F145 HydrophobicContact CG1-CZ 3.48Å; V143-F145 VanDerWaalsContact CG1-CZ 3.48Å; V143-F145 HydrophobicContact CG2-CZ 4.14Å; V143-F145 PolarHBondContact O-N 2.82Å; V143-Y156 HydrophobicContact CB-CD1 4.25Å; V143-Y156 HydrophobicContact CG2-CD1 4.1Å; V143-Y156 PolarHBondContact N-O 2.86Å; V143-Y156 PolarHBondContact O-N 3.31Å
144L97.6Very high95.2Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-86.4100.6168.2-175.473.6000108.9F22 V127 V128 I129 S130 M147 L155F22-L144 HydrophobicContact CE2-CB 4.38Å; F22-L144 HydrophobicContact CE2-CD1 4.32Å; F22-L144 HydrophobicContact CE2-CD2 4.1Å; V127-L144 HydrophobicContact CG1-CB 4.27Å; V128-L144 PolarHBondContact O-N 2.85Å; I129-L144 HydrophobicContact CD1-CD2 4.47Å; I129-L144 HydrophobicContact CG1-CB 4.23Å; I129-L144 HydrophobicContact CG1-CD2 4.28Å; S130-L144 PolarHBondContact N-O 2.87Å; L144-M147 HydrophobicContact CD2-CB 3.99Å; L144-M147 HydrophobicContact CD2-CG 3.79Å; L144-M147 HydrophobicContact CD2-SD 3.67Å; L144-M147 HydrophobicContact CG-CB 4.4Å; L144-L155 HydrophobicContact CD1-CB 4.23Å
145F95.7Very high95.4Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-83.6153.3176.7-67.2-61.8000112.5F7 S130 D132 I136 V143 M147 G153 Q154 Y156F7-F145 HydrophobicContact CE1-CB 3.85Å; F7-F145 HydrophobicContact CE1-CD1 4.3Å; F7-F145 AromaticContact CE1-CD2 3.66Å; F7-F145 HydrophobicContact CE1-CD2 3.66Å; F7-F145 HydrophobicContact CE1-CE2 4.25Å; F7-F145 AromaticContact CE1-CG 3.68Å; F7-F145 HydrophobicContact CE1-CG 3.68Å; F7-F145 HydrophobicContact CZ-CB 3.84Å; F7-F145 AromaticContact CZ-CD1 3.72Å; F7-F145 HydrophobicContact CZ-CD1 3.72Å; F7-F145 AromaticContact CZ-CD2 3.93Å; F7-F145 HydrophobicContact CZ-CD2 3.93Å; F7-F145 HydrophobicContact CZ-CE1 4.25Å; F7-F145 HydrophobicContact CZ-CE2 4.4Å; F7-F145 AromaticContact CZ-CG 3.56Å; F7-F145 HydrophobicContact CZ-CG 3.56Å; S130-F145 VanDerWaalsContact O-CA 3.28Å; S130-F145 WeakPolarHBondContact O-CA 3.36Å; S130-F145 WeakPolarHBondContact O-CD1 3.48Å; D132-F145 WeakPolarHBondContact O-CE1 3.36Å; I136-F145 HydrophobicContact CD1-CE2 3.85Å; I136-F145 HydrophobicContact CD1-CZ 4.02Å; I136-F145 HydrophobicContact CG1-CE2 3.96Å; I136-F145 HydrophobicContact CG1-CZ 3.74Å; V143-F145 HydrophobicContact CB-CD2 4.32Å; V143-F145 HydrophobicContact CB-CE1 4.06Å; V143-F145 HydrophobicContact CB-CE2 3.82Å; V143-F145 HydrophobicContact CB-CZ 3.66Å; V143-F145 HydrophobicContact CG1-CD1 3.72Å; V143-F145 HydrophobicContact CG1-CD2 4.29Å; V143-F145 HydrophobicContact CG1-CE1 3.32Å; V143-F145 HydrophobicContact CG1-CE2 3.98Å; V143-F145 HydrophobicContact CG1-CG 4.18Å; V143-F145 HydrophobicContact CG1-CZ 3.48Å; V143-F145 VanDerWaalsContact CG1-CZ 3.48Å; V143-F145 HydrophobicContact CG2-CZ 4.14Å; V143-F145 PolarHBondContact O-N 2.82Å; F145-M147 PolarHBondContact O-N 3.09Å; F145-G153 CarbonylContact O-C 3.58Å; F145-G153 WeakPolarHBondContact O-CA 3.35Å; F145-Q154 HydrophobicContact CB-CB 4.49Å; F145-Q154 PolarHBondContact N-O 3.42Å; F145-Q154 PolarHBondContact O-N 2.89Å; F145-Y156 VanDerWaalsContact CE2-CB 3.47Å; F145-Y156 HydrophobicContact CE2-CD1 4.19Å; F145-Y156 AromaticContact CE2-CG 3.89Å; F145-Y156 HydrophobicContact CE2-CG 3.89Å
146K91.3Very high95.5Very high103 Ų10334.7 Ų34.745%0.44819%0.187SC..SBendtrans5638.5168.2-58.1176.9-176.9171.30113.2E131 D148E131-K146 VanDerWaalsContact OE1-CA 3.28Å; E131-K146 WeakPolarHBondContact OE1-CA 3.28Å; K146-D148 PolarHBondContact O-N 2.9Å
147M94Very high95.4Very high35 Ų3536.8 Ų36.817%0.17220%0.197CC..  trans-68.3121178.4-168.1-172.978.600109.4V19 W34 I129 L144 F145 C152V19-M147 HydrophobicContact CB-SD 4.02Å; V19-M147 HydrophobicContact CG2-SD 4.15Å; W34-M147 HydrophobicContact CH2-CE 3.8Å; W34-M147 HydrophobicContact CZ2-CE 3.55Å; I129-M147 HydrophobicContact CD1-CE 4.4Å; I129-M147 HydrophobicContact CD1-SD 3.88Å; I129-M147 HydrophobicContact CG2-CB 4.08Å; I129-M147 HydrophobicContact CG2-CE 4.35Å; I129-M147 HydrophobicContact CG2-SD 4.22Å; L144-M147 HydrophobicContact CD2-CB 3.99Å; L144-M147 HydrophobicContact CD2-CG 3.79Å; L144-M147 HydrophobicContact CD2-SD 3.67Å; L144-M147 HydrophobicContact CG-CB 4.4Å; F145-M147 PolarHBondContact O-N 3.09Å; M147-C152 CarbonylContact C-O 3.55Å; M147-C152 VanDerWaalsContact CA-O 3.25Å; M147-C152 WeakPolarHBondContact CA-O 3.22Å
148D92.2Very high95.4Very high76 Ų7639.9 Ų39.941%0.40621%0.209SC..  trans-82.9176.5174.268.927.8000112.1K146 S150 G151 C152K146-D148 PolarHBondContact O-N 2.9Å; D148-S150 PolarHBondContact O-N 2.83Å; D148-S150 VanDerWaalsContact OD1-CA 3.32Å; D148-S150 WeakPolarHBondContact OD1-CA 3.46Å; D148-S150 VanDerWaalsContact OD1-CB 3.31Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.37Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 3.24Å; D148-G151 PolarHBondContact O-N 2.55Å; D148-G151 PolarHBondContact OD1-N 2.89Å; D148-G151 VanDerWaalsContact OD1-N 3.09Å; D148-C152 PolarHBondContact N-O 2.99Å; D148-C152 PolarHBondContact OD1-N 2.97Å
149I88.4Confident95.2Very high188 Ų18846 Ų4696%0.96424%0.242SC*.THydrogen-bonded Turntrans-65-17.5-179.961.1167.5000113.8G151I149-G151 VanDerWaalsContact C-N 3.31Å
150S92.6Very high95.1Very high72 Ų7249.2 Ų49.250%0.50326%0.256SS..THydrogen-bonded Turntrans-83.4-12.7175.277.50000112.1H18 D148 C152H18-S150 PolarHBondContact NE2-O 3.11Å; D148-S150 PolarHBondContact O-N 2.83Å; D148-S150 VanDerWaalsContact OD1-CA 3.32Å; D148-S150 WeakPolarHBondContact OD1-CA 3.46Å; D148-S150 VanDerWaalsContact OD1-CB 3.31Å; D148-S150 WeakPolarHBondContact OD1-CB 3.48Å; D148-S150 PolarHBondContact OD1-N 3.37Å; D148-S150 PolarHBondContact OD1-OG 3.12Å; D148-S150 PolarHBondContact OD2-OG 3.24Å; S150-C152 PolarHBondContact OG-SG 3.38Å; S150-C152 VanDerWaalsContact OG-SG 3.38Å
151G92.5Very high95Very high5 Ų549.2 Ų49.25%0.05226%0.256CS..SBendtrans95.85.6-176.900000114H18 V19 D148 I149H18-G151 CarbonylContact C-O 3.52Å; H18-G151 WeakPolarHBondContact CA-O 3.44Å; V19-G151 PolarHBondContact N-O 2.73Å; D148-G151 PolarHBondContact O-N 2.55Å; D148-G151 PolarHBondContact OD1-N 2.89Å; D148-G151 VanDerWaalsContact OD1-N 3.09Å; I149-G151 VanDerWaalsContact C-N 3.31Å
152C97.1Very high94.9Very high56 Ų5650.5 Ų50.538%0.37825%0.254SS..EExtended strand (participates in β ladder)trans-85.2136177.8-64.40000110.9M147 D148 S150M147-C152 CarbonylContact C-O 3.55Å; M147-C152 VanDerWaalsContact CA-O 3.25Å; M147-C152 WeakPolarHBondContact CA-O 3.22Å; D148-C152 PolarHBondContact N-O 2.99Å; D148-C152 PolarHBondContact OD1-N 2.97Å; S150-C152 PolarHBondContact OG-SG 3.38Å; S150-C152 VanDerWaalsContact OG-SG 3.38Å
153G96.4Very high94.6Very high6 Ų651.6 Ų51.66%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-152.8-166.8177.800000113.7S17 F145S17-G153 PolarHBondContact N-O 3.33Å; S17-G153 PolarHBondContact O-N 3.39Å; F145-G153 CarbonylContact O-C 3.58Å; F145-G153 WeakPolarHBondContact O-CA 3.35Å
154Q96.7Very high94.3Very high58 Ų5852.2 Ų52.227%0.27127%0.267SS..EExtended strand (participates in β ladder)trans-115.5105.4176.4-64.4-61.7-66.600109.5C14 K15 F145 Y156C14-Q154 HydrophobicContact CB-CB 4.44Å; K15-Q154 CarbonylContact O-C 3.51Å; F145-Q154 HydrophobicContact CB-CB 4.49Å; F145-Q154 PolarHBondContact N-O 3.42Å; F145-Q154 PolarHBondContact O-N 2.89Å; Q154-Y156 PolarHBondContact O-N 3.07Å
155L97.6Very high94Very high4 Ų453.6 Ų53.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-79.8110.2179.5-178.762.6000110.5C14 K15 F22 K142 L144 E157C14-L155 CarbonylContact C-O 3.55Å; C14-L155 WeakPolarHBondContact CA-O 3.45Å; K15-L155 VanDerWaalsContact CE-CD2 3.47Å; K15-L155 HydrophobicContact CG-CB 4.19Å; K15-L155 PolarHBondContact N-O 3.15Å; K15-L155 PolarHBondContact O-N 2.88Å; F22-L155 HydrophobicContact CE1-CD1 4.42Å; F22-L155 HydrophobicContact CE1-CD2 4.15Å; F22-L155 HydrophobicContact CZ-CD1 3.81Å; F22-L155 HydrophobicContact CZ-CD2 3.93Å; F22-L155 HydrophobicContact CZ-CG 4.4Å; K142-L155 HydrophobicContact CD-CD1 4.07Å; K142-L155 HydrophobicContact CG-CD1 3.51Å; K142-L155 HydrophobicContact CG-CG 4.39Å; L144-L155 HydrophobicContact CD1-CB 4.23Å; L155-E157 HydrophobicContact CG-CG 4.34Å
156Y97.7Very high93.8Very high0 Ų062.3 Ų62.30%032%0.315CS..EExtended strand (participates in β ladder)trans-84.4135.4167.4166.5-100.4000110.7A13 I136 K142 V143 F145 Q154 R158 L161A13-Y156 HydrophobicContact CB-CD2 4.3Å; A13-Y156 HydrophobicContact CB-CE2 4.32Å; I136-Y156 HydrophobicContact CD1-CD2 4.26Å; I136-Y156 HydrophobicContact CD1-CE2 4.28Å; I136-Y156 HydrophobicContact CD1-CG 4.5Å; I136-Y156 HydrophobicContact CG1-CD1 4.3Å; I136-Y156 HydrophobicContact CG1-CE1 4.12Å; I136-Y156 HydrophobicContact CG1-CE2 4.41Å; I136-Y156 HydrophobicContact CG2-CE1 4.31Å; I136-Y156 HydrophobicContact CG2-CE2 4.07Å; I136-Y156 WeakPolarHBondContact CG2-OH 3.36Å; K142-Y156 WeakPolarHBondContact CA-O 3.42Å; V143-Y156 HydrophobicContact CB-CD1 4.25Å; V143-Y156 HydrophobicContact CG2-CD1 4.1Å; V143-Y156 PolarHBondContact N-O 2.86Å; V143-Y156 PolarHBondContact O-N 3.31Å; F145-Y156 VanDerWaalsContact CE2-CB 3.47Å; F145-Y156 HydrophobicContact CE2-CD1 4.19Å; F145-Y156 AromaticContact CE2-CG 3.89Å; F145-Y156 HydrophobicContact CE2-CG 3.89Å; Q154-Y156 PolarHBondContact O-N 3.07Å; Y156-R158 HydrophobicContact CE1-CB 4.17Å; Y156-R158 WeakPolarHBondContact OH-CA 3.25Å; Y156-L161 HydrophobicContact CE2-CB 4.47Å; Y156-L161 HydrophobicContact CE2-CD1 4.3Å
157E96Very high93.7Very high44 Ų4458.9 Ų58.921%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-127.2123.2172.4-65.7167.9-11600109.3A13 K15 K142 L155 D159 K160A13-E157 PolarHBondContact O-N 3.06Å; K15-E157 WeakPolarHBondContact CE-OE1 3.44Å; K142-E157 HydrophobicContact CG-CG 4.39Å; L155-E157 HydrophobicContact CG-CG 4.34Å; E157-D159 VanDerWaalsContact C-N 3.29Å; E157-D159 PolarHBondContact O-N 3.48Å; E157-K160 HydrophobicContact CB-CB 4.47Å; E157-K160 HydrophobicContact CB-CD 4.1Å; E157-K160 HydrophobicContact CB-CG 4.17Å; E157-K160 WeakPolarHBondContact O-CB 3.23Å; E157-K160 PolarHBondContact O-N 3.2Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.81Å; E157-K160 VanDerWaalsContact OE2-CE 3.24Å; E157-K160 WeakPolarHBondContact OE2-CE 3.26Å; E157-K160 IonicContact OE2-NZ 3.15Å; E157-K160 PolarHBondContact OE2-NZ 3.13Å; E157-K160 VanDerWaalsContact OE2-NZ 3.15Å
158R95.4Very high93.5Very high64 Ų6460.5 Ų60.524%0.24232%0.315CS..G310 helixtrans-58.2-38.4-173.7-179.3176.4166.6-171.6-7.9113.4G139 T141 Y156 K160 L161 F174G139-R158 PolarHBondContact O-NH1 3.14Å; T141-R158 WeakPolarHBondContact O-CB 3.41Å; T141-R158 PolarHBondContact O-N 3.17Å; Y156-R158 HydrophobicContact CE1-CB 4.17Å; Y156-R158 WeakPolarHBondContact OH-CA 3.25Å; R158-K160 PolarHBondContact O-N 3.32Å; R158-K160 VanDerWaalsContact O-N 3.17Å; R158-L161 WeakPolarHBondContact O-CB 3.21Å; R158-L161 PolarHBondContact O-N 3.19Å; R158-F174 HydrophobicContact CG-CD2 4.37Å; R158-F174 HydrophobicContact CG-CE2 4.25Å; R158-F174 VanDerWaalsContact NH2-CD1 3.34Å
159D93.2Very high93.3Very high134 Ų13461 Ų6172%0.71732%0.32SS*.G310 helixtrans-67.2-17-180-63.9-20.3000113.1E157 R162E157-D159 VanDerWaalsContact C-N 3.29Å; E157-D159 PolarHBondContact O-N 3.48Å; D159-R162 PolarHBondContact O-NE 2.96Å
160K94.8Very high93.4Very high68 Ų6859.5 Ų59.530%0.29631%0.309SS..G310 helixtrans-89.4-7.9173.8-62.2-176.7-177.6167.30112.7A13 E157 R158 R162 L163A13-K160 HydrophobicContact CB-CB 4.03Å; A13-K160 WeakPolarHBondContact CB-O 3.5Å; E157-K160 HydrophobicContact CB-CB 4.47Å; E157-K160 HydrophobicContact CB-CD 4.1Å; E157-K160 HydrophobicContact CB-CG 4.17Å; E157-K160 WeakPolarHBondContact O-CB 3.23Å; E157-K160 PolarHBondContact O-N 3.2Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.81Å; E157-K160 VanDerWaalsContact OE2-CE 3.24Å; E157-K160 WeakPolarHBondContact OE2-CE 3.26Å; E157-K160 IonicContact OE2-NZ 3.15Å; E157-K160 PolarHBondContact OE2-NZ 3.13Å; E157-K160 VanDerWaalsContact OE2-NZ 3.15Å; R158-K160 PolarHBondContact O-N 3.32Å; R158-K160 VanDerWaalsContact O-N 3.17Å; K160-R162 PolarHBondContact O-N 2.79Å; K160-L163 HydrophobicContact CB-CD1 4.14Å; K160-L163 HydrophobicContact CG-CD1 4.29Å; K160-L163 WeakPolarHBondContact O-CB 3.42Å; K160-L163 PolarHBondContact O-N 3Å
161L95Very high93.2Very high0 Ų065.9 Ų65.90%032%0.322CS..Hα-helixtrans-58.3-34.8-179.4-175.260.3000112.4V10 Y156 R158 L163 A164 L165 F172 F174 F177V10-L161 HydrophobicContact CB-CD1 4.23Å; V10-L161 HydrophobicContact CG1-CD1 3.76Å; Y156-L161 HydrophobicContact CE2-CB 4.47Å; Y156-L161 HydrophobicContact CE2-CD1 4.3Å; R158-L161 WeakPolarHBondContact O-CB 3.21Å; R158-L161 PolarHBondContact O-N 3.19Å; L161-L163 PolarHBondContact O-N 2.9Å; L161-A164 HydrophobicContact CD1-CB 4.41Å; L161-A164 WeakPolarHBondContact O-CB 3.38Å; L161-A164 PolarHBondContact O-N 3.37Å; L161-A164 VanDerWaalsContact O-N 3.1Å; L161-L165 HydrophobicContact CD1-CG 4.49Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 HydrophobicContact CG-CG 4.41Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3Å; L161-F172 HydrophobicContact CB-CE2 4.18Å; L161-F172 HydrophobicContact CB-CZ 4Å; L161-F172 HydrophobicContact CD2-CE2 4.09Å; L161-F172 HydrophobicContact CD2-CZ 3.95Å; L161-F172 HydrophobicContact CG-CE2 4.01Å; L161-F172 HydrophobicContact CG-CZ 4.14Å; L161-F174 HydrophobicContact CD2-CD2 4.18Å; L161-F174 HydrophobicContact CD2-CE2 4.17Å; L161-F177 HydrophobicContact CD1-CE2 4.04Å; L161-F177 HydrophobicContact CD1-CZ 4.03Å; L161-F177 HydrophobicContact CD2-CD1 3.57Å; L161-F177 HydrophobicContact CD2-CD2 4.05Å; L161-F177 HydrophobicContact CD2-CE1 3.64Å; L161-F177 HydrophobicContact CD2-CE2 4.08Å; L161-F177 HydrophobicContact CD2-CG 3.77Å; L161-F177 HydrophobicContact CD2-CZ 3.86Å; L161-F177 HydrophobicContact CG-CE2 4.49Å
162R93.5Very high93.2Very high85 Ų8568.1 Ų68.132%0.32133%0.331SS..Hα-helixtrans-55.7-33173.168.7-177.9178.183.3-1.7113.5D159 K160 L165 Q166 V167 F172D159-R162 PolarHBondContact O-NE 2.96Å; K160-R162 PolarHBondContact O-N 2.79Å; R162-L165 PolarHBondContact O-N 2.88Å; R162-Q166 PolarHBondContact O-N 2.77Å; R162-V167 HydrophobicContact CB-CG2 4.05Å; R162-V167 PolarHBondContact O-N 3.25Å; R162-F172 HydrophobicContact CB-CB 4Å; R162-F172 HydrophobicContact CB-CD1 4.42Å; R162-F172 HydrophobicContact CB-CD2 3.87Å; R162-F172 HydrophobicContact CB-CE2 4.47Å; R162-F172 HydrophobicContact CB-CG 3.83Å
163L91Very high93.1Very high86 Ų8668.1 Ų68.145%0.4533%0.327SS..Hα-helixtrans-69.2-42.4178.5-55.6176.2000110.2K160 L161 L165 Q166K160-L163 HydrophobicContact CB-CD1 4.14Å; K160-L163 HydrophobicContact CG-CD1 4.29Å; K160-L163 WeakPolarHBondContact O-CB 3.42Å; K160-L163 PolarHBondContact O-N 3Å; L161-L163 PolarHBondContact O-N 2.9Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 2.92Å; L163-Q166 PolarHBondContact O-N 2.82Å
164A90.8Very high93.1Very high12 Ų1268.8 Ų68.810%0.09933%0.328CS..Hα-helixtrans-64.3-36.817500000113V9 P12 A13 L161 Q166V9-A164 WeakPolarHBondContact O-CB 3.15Å; P12-A164 HydrophobicContact CB-CB 4Å; P12-A164 HydrophobicContact CG-CB 4.11Å; A13-A164 HydrophobicContact CB-CB 3.91Å; L161-A164 HydrophobicContact CD1-CB 4.41Å; L161-A164 WeakPolarHBondContact O-CB 3.38Å; L161-A164 PolarHBondContact O-N 3.37Å; L161-A164 VanDerWaalsContact O-N 3.1Å; A164-Q166 VanDerWaalsContact C-N 3.31Å
165L92.3Very high93Very high30 Ų3067.3 Ų67.316%0.15733%0.326CS..THydrogen-bonded Turntrans-83-5.6177.1-61.5-179000113.9V9 L161 R162 L163 V167 F172 F177 I201V9-L165 HydrophobicContact CG1-CD2 4.15Å; L161-L165 HydrophobicContact CD1-CG 4.49Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 HydrophobicContact CG-CG 4.41Å; L161-L165 WeakPolarHBondContact O-CG 3.35Å; L161-L165 PolarHBondContact O-N 3Å; R162-L165 PolarHBondContact O-N 2.88Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 2.92Å; L165-V167 HydrophobicContact CB-CG1 4.4Å; L165-V167 HydrophobicContact CB-CG2 3.96Å; L165-V167 PolarHBondContact O-N 3Å; L165-F172 HydrophobicContact CD1-CD2 4.14Å; L165-F172 HydrophobicContact CD1-CE2 3.8Å; L165-F177 HydrophobicContact CD1-CB 4.26Å; L165-F177 HydrophobicContact CD1-CD2 3.67Å; L165-F177 HydrophobicContact CD1-CE2 4.43Å; L165-F177 HydrophobicContact CD1-CG 4.27Å; L165-F177 HydrophobicContact CD2-CD2 3.98Å; L165-F177 HydrophobicContact CD2-CE2 4.13Å; L165-F177 HydrophobicContact CG-CD2 4.33Å; L165-I201 HydrophobicContact CD2-CD1 3.78Å; L165-I201 HydrophobicContact CD2-CG1 4.5Å
166Q90.7Very high93Very high182 Ų18269.8 Ų69.885%0.8534%0.336SS*.THydrogen-bonded Turntrans54.340-176.7-54.8177.514.500112.9R162 L163 A164R162-Q166 PolarHBondContact O-N 2.77Å; L163-Q166 PolarHBondContact O-N 2.82Å; A164-Q166 VanDerWaalsContact C-N 3.31Å
167V90.7Very high93Very high31 Ų3170 Ų7019%0.18834%0.337CS..  trans-113.6147.3177.5-64.40000110.6R162 L165 F172R162-V167 HydrophobicContact CB-CG2 4.05Å; R162-V167 PolarHBondContact O-N 3.25Å; L165-V167 HydrophobicContact CB-CG1 4.4Å; L165-V167 HydrophobicContact CB-CG2 3.96Å; L165-V167 PolarHBondContact O-N 3Å; V167-F172 HydrophobicContact CG2-CB 3.85Å; V167-F172 HydrophobicContact CG2-CD2 3.79Å; V167-F172 HydrophobicContact CG2-CG 4.29Å
168T89.7Confident93Very high69 Ų6968.9 Ų68.942%0.42333%0.331SS..  trans-68.3162.517473.70000110.3E170 R171 F172T168-E170 WeakPolarHBondContact CB-OE2 3.36Å; T168-E170 PolarHBondContact O-N 3.45Å; T168-E170 PolarHBondContact OG1-OE2 3.32Å; T168-R171 PolarHBondContact O-N 2.87Å; T168-F172 PolarHBondContact O-N 2.82Å
169V87.7Confident93.2Very high86 Ų8667.1 Ų67.152%0.52133%0.325SS..G310 helixtrans-58.3-39.9-179.5176.80000110.6R171 F172V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 3.17Å; V169-F172 PolarHBondContact O-N 2.85Å
170E89.5Confident93.4Very high158 Ų15860.9 Ų60.974%0.73829%0.291SS*.G310 helixtrans-72.1-23.8-176.3-48.571.8-15200112.8T168T168-E170 WeakPolarHBondContact CB-OE2 3.36Å; T168-E170 PolarHBondContact O-N 3.45Å; T168-E170 PolarHBondContact OG1-OE2 3.32Å
171R89.3Confident93.5Very high205 Ų20557.6 Ų57.677%0.77428%0.277SS*.G310 helixtrans-98.6-11.1179.6-67.5-175.9179.6-173.41.5113T168 V169 D173T168-R171 PolarHBondContact O-N 2.87Å; V169-R171 VanDerWaalsContact C-N 3.3Å; V169-R171 PolarHBondContact O-N 3.17Å; R171-D173 PolarHBondContact O-N 3.42Å
172F92.4Very high93.7Very high52 Ų5257.6 Ų57.623%0.22828%0.277CS..  trans-72.9116.9-178.9177.7-111.8000110.1L161 R162 L165 V167 T168 V169 F174L161-F172 HydrophobicContact CB-CE2 4.18Å; L161-F172 HydrophobicContact CB-CZ 4Å; L161-F172 HydrophobicContact CD2-CE2 4.09Å; L161-F172 HydrophobicContact CD2-CZ 3.95Å; L161-F172 HydrophobicContact CG-CE2 4.01Å; L161-F172 HydrophobicContact CG-CZ 4.14Å; R162-F172 HydrophobicContact CB-CB 4Å; R162-F172 HydrophobicContact CB-CD1 4.42Å; R162-F172 HydrophobicContact CB-CD2 3.87Å; R162-F172 HydrophobicContact CB-CE2 4.47Å; R162-F172 HydrophobicContact CB-CG 3.83Å; L165-F172 HydrophobicContact CD1-CD2 4.14Å; L165-F172 HydrophobicContact CD1-CE2 3.8Å; V167-F172 HydrophobicContact CG2-CB 3.85Å; V167-F172 HydrophobicContact CG2-CD2 3.79Å; V167-F172 HydrophobicContact CG2-CG 4.29Å; T168-F172 PolarHBondContact O-N 2.82Å; V169-F172 PolarHBondContact O-N 2.85Å; F172-F174 HydrophobicContact CE1-CB 4.24Å; F172-F174 HydrophobicContact CZ-CB 4.24Å; F172-F174 HydrophobicContact CZ-CD2 4.12Å
173D94.5Very high93.9Very high56 Ų5653.6 Ų53.630%0.29926%0.262SS..  trans-122.8109.5176.3177.2-9.2000108.5R171 A175 K176 F177R171-D173 PolarHBondContact O-N 3.42Å; D173-A175 VanDerWaalsContact C-N 3.28Å; D173-A175 PolarHBondContact O-N 2.98Å; D173-A175 WeakPolarHBondContact OD1-CA 3.41Å; D173-A175 VanDerWaalsContact OD1-CB 3.27Å; D173-A175 WeakPolarHBondContact OD1-CB 3.35Å; D173-A175 PolarHBondContact OD1-N 3.34Å; D173-K176 HydrophobicContact CB-CB 4.06Å; D173-K176 HydrophobicContact CB-CD 3.99Å; D173-K176 HydrophobicContact CB-CG 4.19Å; D173-K176 PolarHBondContact O-N 3.27Å; D173-K176 PolarHBondContact OD1-N 3.27Å; D173-K176 WeakPolarHBondContact OD2-CD 3.13Å; D173-K176 WeakPolarHBondContact OD2-CE 2.96Å; D173-K176 VanDerWaalsContact OD2-CG 3.28Å; D173-K176 WeakPolarHBondContact OD2-CG 3.31Å; D173-F177 PolarHBondContact O-N 3.41Å; D173-F177 VanDerWaalsContact O-N 3.11Å
174F95.8Very high94.2Very high20 Ų2049.8 Ų49.89%0.08824%0.243CC..Hα-helixtrans-66.3-30.4-179.7-175.9-94.8000112.3I136 R158 L161 F172 F177 R178I136-F174 WeakPolarHBondContact O-CZ 3.48Å; R158-F174 HydrophobicContact CG-CD2 4.37Å; R158-F174 HydrophobicContact CG-CE2 4.25Å; R158-F174 VanDerWaalsContact NH2-CD1 3.34Å; L161-F174 HydrophobicContact CD2-CD2 4.18Å; L161-F174 HydrophobicContact CD2-CE2 4.17Å; F172-F174 HydrophobicContact CE1-CB 4.24Å; F172-F174 HydrophobicContact CZ-CB 4.24Å; F172-F174 HydrophobicContact CZ-CD2 4.12Å; F174-F177 HydrophobicContact CD2-CD1 4.43Å; F174-F177 HydrophobicContact CE2-CD1 4.13Å; F174-F177 WeakPolarHBondContact O-CB 3.09Å; F174-F177 PolarHBondContact O-N 3.18Å; F174-R178 PolarHBondContact O-N 2.81Å
175A96.5Very high94.5Very high27 Ų2749.7 Ų49.722%0.22324%0.243CC..Hα-helixtrans-65.5-42.5175.400000110.7D173 F177 R178 R179D173-A175 VanDerWaalsContact C-N 3.28Å; D173-A175 PolarHBondContact O-N 2.98Å; D173-A175 WeakPolarHBondContact OD1-CA 3.41Å; D173-A175 VanDerWaalsContact OD1-CB 3.27Å; D173-A175 WeakPolarHBondContact OD1-CB 3.35Å; D173-A175 PolarHBondContact OD1-N 3.34Å; A175-F177 VanDerWaalsContact C-N 3.31Å; A175-F177 PolarHBondContact O-N 3Å; A175-R178 PolarHBondContact O-N 2.79Å; A175-R179 WeakPolarHBondContact O-CB 3.43Å; A175-R179 VanDerWaalsContact O-CG 3.22Å; A175-R179 WeakPolarHBondContact O-CG 3.41Å; A175-R179 PolarHBondContact O-N 3.05Å
176K96.5Very high94.6Very high56 Ų5648.8 Ų48.824%0.24324%0.239CC..Hα-helixtrans-61.8-36.5172-79.1176.9-174.1-177.20113.1D173 S180 F204 V207D173-K176 HydrophobicContact CB-CB 4.06Å; D173-K176 HydrophobicContact CB-CD 3.99Å; D173-K176 HydrophobicContact CB-CG 4.19Å; D173-K176 PolarHBondContact O-N 3.27Å; D173-K176 PolarHBondContact OD1-N 3.27Å; D173-K176 WeakPolarHBondContact OD2-CD 3.13Å; D173-K176 WeakPolarHBondContact OD2-CE 2.96Å; D173-K176 VanDerWaalsContact OD2-CG 3.28Å; D173-K176 WeakPolarHBondContact OD2-CG 3.31Å; K176-S180 WeakPolarHBondContact O-CB 3.18Å; K176-S180 PolarHBondContact O-N 3.2Å; K176-S180 PolarHBondContact O-OG 3.29Å; K176-F204 HydrophobicContact CB-CB 4.11Å; K176-F204 HydrophobicContact CG-CB 4.27Å; K176-F204 HydrophobicContact CG-CD1 4.25Å; K176-V207 WeakPolarHBondContact CE-O 3.38Å; K176-V207 PolarHBondContact NZ-O 2.84Å
177F96.8Very high94.6Very high4 Ų442.3 Ų42.32%0.01821%0.21CC..Hα-helixtrans-65-50.3173.3174.4-96.9000111.8L6 V10 I136 L161 L165 D173 F174 A175 R179 S180 C181L6-F177 HydrophobicContact CD1-CE2 4.36Å; L6-F177 HydrophobicContact CD1-CZ 3.9Å; V10-F177 HydrophobicContact CG1-CE2 4.21Å; V10-F177 HydrophobicContact CG1-CZ 3.84Å; I136-F177 HydrophobicContact CG2-CE1 3.54Å; I136-F177 HydrophobicContact CG2-CZ 3.85Å; L161-F177 HydrophobicContact CD1-CE2 4.04Å; L161-F177 HydrophobicContact CD1-CZ 4.03Å; L161-F177 HydrophobicContact CD2-CD1 3.57Å; L161-F177 HydrophobicContact CD2-CD2 4.05Å; L161-F177 HydrophobicContact CD2-CE1 3.64Å; L161-F177 HydrophobicContact CD2-CE2 4.08Å; L161-F177 HydrophobicContact CD2-CG 3.77Å; L161-F177 HydrophobicContact CD2-CZ 3.86Å; L161-F177 HydrophobicContact CG-CE2 4.49Å; L165-F177 HydrophobicContact CD1-CB 4.26Å; L165-F177 HydrophobicContact CD1-CD2 3.67Å; L165-F177 HydrophobicContact CD1-CE2 4.43Å; L165-F177 HydrophobicContact CD1-CG 4.27Å; L165-F177 HydrophobicContact CD2-CD2 3.98Å; L165-F177 HydrophobicContact CD2-CE2 4.13Å; L165-F177 HydrophobicContact CG-CD2 4.33Å; D173-F177 PolarHBondContact O-N 3.41Å; D173-F177 VanDerWaalsContact O-N 3.11Å; F174-F177 HydrophobicContact CD2-CD1 4.43Å; F174-F177 HydrophobicContact CE2-CD1 4.13Å; F174-F177 WeakPolarHBondContact O-CB 3.09Å; F174-F177 PolarHBondContact O-N 3.18Å; A175-F177 VanDerWaalsContact C-N 3.31Å; A175-F177 PolarHBondContact O-N 3Å; F177-R179 VanDerWaalsContact C-N 3.32Å; F177-R179 PolarHBondContact O-N 3.47Å; F177-S180 WeakPolarHBondContact O-CA 3.48Å; F177-S180 VanDerWaalsContact O-CB 3.25Å; F177-S180 WeakPolarHBondContact O-CB 3.47Å; F177-S180 PolarHBondContact O-N 2.99Å; F177-C181 PolarHBondContact O-N 3.25Å
178R97.9Very high94.7Very high22 Ų2241.3 Ų41.38%0.08320%0.203CC..Hα-helixtrans-55.5-46.7175.2179.1-177.762.1-111.1-3.6111.4P137 F174 A175 S180 C181 I182 E242 F245P137-R178 HydrophobicContact CB-CB 4.38Å; P137-R178 HydrophobicContact CB-CG 4.03Å; P137-R178 WeakPolarHBondContact O-CD 3.3Å; P137-R178 WeakPolarHBondContact O-CG 3.29Å; F174-R178 PolarHBondContact O-N 2.81Å; A175-R178 PolarHBondContact O-N 2.79Å; R178-S180 VanDerWaalsContact C-N 3.27Å; R178-S180 PolarHBondContact O-N 3.39Å; R178-C181 VanDerWaalsContact O-CB 3.26Å; R178-C181 WeakPolarHBondContact O-CB 3.21Å; R178-C181 PolarHBondContact O-N 2.98Å; R178-C181 VanDerWaalsContact O-N 3.12Å; R178-I182 HydrophobicContact CG-CD1 4.09Å; R178-I182 WeakPolarHBondContact O-CG1 3.47Å; R178-I182 PolarHBondContact O-N 3.43Å; R178-E242 IonicContact CZ-OE1 2.9Å; R178-E242 IonicContact NE-OE1 2.93Å; R178-E242 IonicContact NH2-OE1 3.92Å; R178-E242 PolarHBondContact NH2-OE1 3.48Å; R178-F245 HydrophobicContact CG-CB 4.39Å; R178-F245 HydrophobicContact CG-CG 4.46Å
179R98.3Very high94.9Very high26 Ų2638.5 Ų38.510%0.09819%0.186CC..Hα-helixtrans-60.8-34.7174.7-72.2171.6171.4177-8.2112.7A175 F177 I182 L183 F204 D210 F238 E242A175-R179 WeakPolarHBondContact O-CB 3.43Å; A175-R179 VanDerWaalsContact O-CG 3.22Å; A175-R179 WeakPolarHBondContact O-CG 3.41Å; A175-R179 PolarHBondContact O-N 3.05Å; F177-R179 VanDerWaalsContact C-N 3.32Å; F177-R179 PolarHBondContact O-N 3.47Å; R179-I182 PolarHBondContact O-N 3.17Å; R179-L183 WeakPolarHBondContact O-CB 3.36Å; R179-L183 PolarHBondContact O-N 3.38Å; R179-F204 VanDerWaalsContact C-CE2 3.41Å; R179-F204 HydrophobicContact CB-CD1 4.26Å; R179-F204 HydrophobicContact CB-CD2 4.31Å; R179-F204 HydrophobicContact CB-CE1 3.7Å; R179-F204 HydrophobicContact CB-CE2 3.74Å; R179-F204 HydrophobicContact CB-CZ 3.43Å; R179-F204 VanDerWaalsContact CB-CZ 3.43Å; R179-F204 HydrophobicContact CG-CE1 4.41Å; R179-F204 HydrophobicContact CG-CZ 4.39Å; R179-F204 WeakPolarHBondContact O-CE2 3.27Å; R179-D210 IonicContact NH1-OD1 2.58Å; R179-D210 PolarHBondContact NH2-O 3.42Å; R179-F238 HydrophobicContact CB-CZ 3.94Å; R179-F238 HydrophobicContact CG-CE1 4.33Å; R179-F238 HydrophobicContact CG-CZ 4.06Å; R179-E242 VanDerWaalsContact CG-OE1 3.31Å; R179-E242 WeakPolarHBondContact CG-OE1 3.45Å; R179-E242 IonicContact CZ-OE1 2.63Å; R179-E242 IonicContact CZ-OE2 3.1Å; R179-E242 VanDerWaalsContact NE-CD 3.35Å; R179-E242 IonicContact NE-OE1 2.71Å; R179-E242 PolarHBondContact NE-OE1 2.92Å; R179-E242 IonicContact NE-OE2 3.84Å; R179-E242 PolarHBondContact NE-OE2 3.26Å; R179-E242 IonicContact NH2-OE1 2.76Å; R179-E242 IonicContact NH2-OE2 2.69Å; R179-E242 PolarHBondContact NH2-OE2 3.43Å
180S97.7Very high95.3Very high3 Ų339 Ų392%0.02119%0.193CC..Hα-helixtrans-65.5-41.4173.6-590000111.9K176 F177 R178 S184 A200 F204K176-S180 WeakPolarHBondContact O-CB 3.18Å; K176-S180 PolarHBondContact O-N 3.2Å; K176-S180 PolarHBondContact O-OG 3.29Å; F177-S180 WeakPolarHBondContact O-CA 3.48Å; F177-S180 VanDerWaalsContact O-CB 3.25Å; F177-S180 WeakPolarHBondContact O-CB 3.47Å; F177-S180 PolarHBondContact O-N 2.99Å; R178-S180 VanDerWaalsContact C-N 3.27Å; R178-S180 PolarHBondContact O-N 3.39Å; S180-S184 WeakPolarHBondContact O-CB 3.42Å; S180-S184 PolarHBondContact O-N 3.21Å; S180-S184 PolarHBondContact O-OG 2.72Å; S180-A200 WeakPolarHBondContact O-CB 3.33Å; S180-F204 WeakPolarHBondContact OG-CD2 3.34Å
181C97.9Very high95.6Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-58.9-50.5173.1-72.70000111.5I3 P137 F177 R178 L183 S184 G185I3-C181 HydrophobicContact CD1-CB 3.57Å; I3-C181 HydrophobicContact CG1-CB 4.34Å; I3-C181 HydrophobicContact CG2-CB 4.5Å; P137-C181 HydrophobicContact CB-CB 3.99Å; P137-C181 HydrophobicContact CG-CB 4.32Å; F177-C181 PolarHBondContact O-N 3.25Å; R178-C181 VanDerWaalsContact O-CB 3.26Å; R178-C181 WeakPolarHBondContact O-CB 3.21Å; R178-C181 PolarHBondContact O-N 2.98Å; R178-C181 VanDerWaalsContact O-N 3.12Å; C181-L183 PolarHBondContact O-N 3.06Å; C181-S184 PolarHBondContact O-N 3.39Å; C181-S184 PolarHBondContact O-OG 3.31Å; C181-G185 PolarHBondContact O-N 3.34Å
182I98.1Very high96Very high0 Ų025.6 Ų25.60%014%0.142CC..Hα-helixtrans-58.7-49.3177.6-62.6163.2000111R178 R179 S184 G185 V189 F238 A241 E242 F245R178-I182 HydrophobicContact CG-CD1 4.09Å; R178-I182 WeakPolarHBondContact O-CG1 3.47Å; R178-I182 PolarHBondContact O-N 3.43Å; R179-I182 PolarHBondContact O-N 3.17Å; I182-S184 PolarHBondContact O-N 3.28Å; I182-G185 PolarHBondContact O-N 2.88Å; I182-V189 HydrophobicContact CG2-CG1 3.49Å; I182-V189 VanDerWaalsContact CG2-CG1 3.49Å; I182-F238 HydrophobicContact CB-CD2 4.33Å; I182-F238 HydrophobicContact CB-CE2 3.8Å; I182-F238 HydrophobicContact CB-CZ 4.24Å; I182-F238 HydrophobicContact CG2-CD2 3.47Å; I182-F238 VanDerWaalsContact CG2-CD2 3.47Å; I182-F238 HydrophobicContact CG2-CE2 3.45Å; I182-F238 VanDerWaalsContact CG2-CE2 3.45Å; I182-F238 HydrophobicContact CG2-CG 4.13Å; I182-F238 HydrophobicContact CG2-CZ 4.11Å; I182-A241 HydrophobicContact CG2-CB 3.8Å; I182-E242 HydrophobicContact CD1-CB 3.76Å; I182-E242 HydrophobicContact CD1-CG 4.37Å; I182-F245 HydrophobicContact CD1-CD2 3.8Å; I182-F245 HydrophobicContact CD1-CE2 4.28Å; I182-F245 HydrophobicContact CG1-CD2 3.72Å; I182-F245 HydrophobicContact CG1-CE2 3.66Å
183L98.2Very high96.2Very high0 Ų027.1 Ų27.10%016%0.157CC..Hα-helixtrans-62.7-30-179.7178.858.4000112.6R179 C181 G185 L192 V195 A200 F203 F204 I219 Y234 F238R179-L183 WeakPolarHBondContact O-CB 3.36Å; R179-L183 PolarHBondContact O-N 3.38Å; C181-L183 PolarHBondContact O-N 3.06Å; L183-G185 PolarHBondContact O-N 3.15Å; L183-L192 HydrophobicContact CD1-CD1 4.12Å; L183-V195 HydrophobicContact CD1-CG1 4.19Å; L183-V195 HydrophobicContact CD2-CG1 4.25Å; L183-V195 HydrophobicContact CG-CG1 3.87Å; L183-A200 HydrophobicContact CB-CB 3.99Å; L183-A200 HydrophobicContact CD2-CB 3.92Å; L183-A200 HydrophobicContact CG-CB 3.99Å; L183-F203 HydrophobicContact CD2-CD1 3.66Å; L183-F203 HydrophobicContact CD2-CE1 4.24Å; L183-F203 HydrophobicContact CD2-CG 4.36Å; L183-F204 HydrophobicContact CB-CE2 4.07Å; L183-F204 HydrophobicContact CD2-CD2 4.42Å; L183-F204 HydrophobicContact CD2-CE2 3.74Å; L183-F204 HydrophobicContact CD2-CZ 4.45Å; L183-I219 HydrophobicContact CD1-CD1 3.78Å; L183-I219 HydrophobicContact CD2-CD1 4.19Å; L183-Y234 HydrophobicContact CD1-CE1 4.31Å; L183-Y234 WeakPolarHBondContact CD1-OH 3.29Å; L183-F238 HydrophobicContact CB-CE2 3.97Å
184S97.6Very high96.2Very high7 Ų730.7 Ų30.75%0.04918%0.176CC..THydrogen-bonded Turntrans-77.7-3.7176.576.70000114.7I3 S180 C181 I182 N191 I197I3-S184 VanDerWaalsContact CG2-OG 3.3Å; I3-S184 WeakPolarHBondContact CG2-OG 3.5Å; S180-S184 WeakPolarHBondContact O-CB 3.42Å; S180-S184 PolarHBondContact O-N 3.21Å; S180-S184 PolarHBondContact O-OG 2.72Å; C181-S184 PolarHBondContact O-N 3.39Å; C181-S184 PolarHBondContact O-OG 3.31Å; I182-S184 PolarHBondContact O-N 3.28Å; S184-N191 VanDerWaalsContact O-CB 3.28Å; S184-N191 WeakPolarHBondContact O-CB 3.47Å; S184-I197 VanDerWaalsContact CB-CA 3.42Å; S184-I197 VanDerWaalsContact CB-N 3.31Å
185G96Very high96.3Very high10 Ų1029.7 Ų29.710%0.10317%0.172CC..  trans97.2120.4-178.200000110.6C181 I182 L183 V189C181-G185 PolarHBondContact O-N 3.34Å; I182-G185 PolarHBondContact O-N 2.88Å; L183-G185 PolarHBondContact O-N 3.15Å; G185-V189 WeakPolarHBondContact CA-O 3.34Å
186C94.7Very high96.3Very high11 Ų1130 Ų307%0.07418%0.178CC..  trans-124.9-174.1168.367.60000109.1I3 Y188 V189 F245I3-C186 HydrophobicContact CD1-CB 4.42Å; I3-C186 HydrophobicContact CG1-CB 3.83Å; C186-Y188 PolarHBondContact O-N 3.17Å; C186-Y188 PolarHBondContact SG-N 2.82Å; C186-V189 PolarHBondContact N-O 2.63Å; C186-V189 CarbonylContact O-C 3.59Å; C186-F245 HydrophobicContact CB-CE2 4.19Å; C186-F245 HydrophobicContact CB-CZ 4.26Å
187D90.6Very high96.3Very high45 Ų4527.8 Ų27.824%0.24117%0.169CC..SBendtrans-71.4-20.1179.8-68.7-53.9000113.8G2 K343G2-D187 VanDerWaalsContact CA-OD2 3.28Å; G2-D187 WeakPolarHBondContact CA-OD2 3.32Å; G2-D187 VanDerWaalsContact N-CG 3.33Å; G2-D187 PolarHBondContact N-OD1 3.45Å; G2-D187 VanDerWaalsContact N-OD1 3.1Å; G2-D187 PolarHBondContact N-OD2 3.26Å; D187-K343 HydrophobicContact CB-CD 3.77Å; D187-K343 IonicContact OD1-NZ 2.86Å; D187-K343 PolarHBondContact OD1-NZ 3.15Å; D187-K343 VanDerWaalsContact OD1-NZ 3.1Å; D187-K343 VanDerWaalsContact OD2-CE 3.28Å; D187-K343 WeakPolarHBondContact OD2-CE 3.27Å; D187-K343 IonicContact OD2-NZ 3.81Å; D187-K343 PolarHBondContact OD2-NZ 3.24Å
188Y92.4Very high96.2Very high10 Ų1036.3 Ų36.34%0.03920%0.2CC..SBendtrans-86.6-25.8177.9-44.9-50.2000113.4E111 F138 C186 R237 A241 T244 F245E111-Y188 PolarHBondContact OE2-OH 3.11Å; F138-Y188 VanDerWaalsContact CZ-OH 3.23Å; F138-Y188 WeakPolarHBondContact CZ-OH 3.44Å; C186-Y188 PolarHBondContact O-N 3.17Å; C186-Y188 PolarHBondContact SG-N 2.82Å; Y188-R237 PolarHBondContact O-NH2 2.99Å; Y188-A241 HydrophobicContact CD2-CB 4.35Å; Y188-A241 HydrophobicContact CG-CB 4.49Å; Y188-T244 HydrophobicContact CD1-CG2 4.12Å; Y188-T244 HydrophobicContact CD2-CG2 4.21Å; Y188-T244 HydrophobicContact CE1-CG2 3.78Å; Y188-T244 HydrophobicContact CE2-CG2 3.86Å; Y188-T244 HydrophobicContact CG-CG2 4.34Å; Y188-F245 AromaticContact CD2-CD2 3.87Å; Y188-F245 HydrophobicContact CD2-CD2 3.87Å; Y188-F245 AromaticContact CD2-CE2 3.57Å; Y188-F245 HydrophobicContact CD2-CE2 3.57Å; Y188-F245 HydrophobicContact CD2-CZ 4.1Å; Y188-F245 HydrophobicContact CE2-CD1 4.24Å; Y188-F245 AromaticContact CE2-CD2 3.75Å; Y188-F245 HydrophobicContact CE2-CD2 3.75Å; Y188-F245 HydrophobicContact CE2-CE1 4Å; Y188-F245 AromaticContact CE2-CE2 3.5Å; Y188-F245 HydrophobicContact CE2-CE2 3.5Å; Y188-F245 HydrophobicContact CE2-CG 4.11Å; Y188-F245 AromaticContact CE2-CZ 3.63Å; Y188-F245 HydrophobicContact CE2-CZ 3.63Å
189V94.9Very high96.1Very high10 Ų1039 Ų396%0.06121%0.213CC..SBendtrans-151.3130.9179.865.20000110.2I182 G185 C186 Y234 R237 A241I182-V189 HydrophobicContact CG2-CG1 3.49Å; I182-V189 VanDerWaalsContact CG2-CG1 3.49Å; G185-V189 WeakPolarHBondContact CA-O 3.34Å; C186-V189 PolarHBondContact N-O 2.63Å; C186-V189 CarbonylContact O-C 3.59Å; V189-Y234 HydrophobicContact CG2-CD2 4.37Å; V189-Y234 HydrophobicContact CG2-CE2 3.96Å; V189-R237 HydrophobicContact CG2-CB 3.89Å; V189-A241 HydrophobicContact CB-CB 4.14Å; V189-A241 HydrophobicContact CG1-CB 3.63Å
190S95.1Very high96.1Very high96 Ų9637.7 Ų37.767%0.67121%0.208SC*.PPolyproline II helixtrans-65.9157175.1-70.60000110.9Y234S190-Y234 VanDerWaalsContact O-CE2 3.29Å; S190-Y234 WeakPolarHBondContact O-CE2 3.25Å
191N96.3Very high96Very high73 Ų7338.7 Ų38.739%0.3921%0.213SC..PPolyproline II helixtrans-78.1157176.669.2-42.1000112.4S184 V195S184-N191 VanDerWaalsContact O-CB 3.28Å; S184-N191 WeakPolarHBondContact O-CB 3.47Å; N191-V195 PolarHBondContact ND2-O 3.13Å
192L97.1Very high95.9Very high9 Ų944.2 Ų44.25%0.04724%0.237CC..PPolyproline II helixtrans-66.3148.8167.4-70.6175000110.8L183 N194 V195 I219 L228 V230 Y234L183-L192 HydrophobicContact CD1-CD1 4.12Å; L192-N194 PolarHBondContact O-N 2.74Å; L192-V195 HydrophobicContact CB-CB 4.03Å; L192-V195 HydrophobicContact CB-CG2 3.78Å; L192-V195 WeakPolarHBondContact O-CB 3.35Å; L192-V195 PolarHBondContact O-N 3.47Å; L192-I219 HydrophobicContact CD1-CD1 3.84Å; L192-I219 HydrophobicContact CD1-CG2 4.44Å; L192-L228 HydrophobicContact CB-CD1 4.25Å; L192-L228 HydrophobicContact CD1-CD2 4.21Å; L192-V230 HydrophobicContact CD1-CG2 3.88Å; L192-Y234 HydrophobicContact CD1-CD1 4.3Å; L192-Y234 HydrophobicContact CD1-CE1 3.86Å; L192-Y234 HydrophobicContact CD2-CD1 3.94Å; L192-Y234 HydrophobicContact CD2-CD2 3.72Å; L192-Y234 HydrophobicContact CD2-CE1 4Å; L192-Y234 HydrophobicContact CD2-CE2 3.78Å; L192-Y234 HydrophobicContact CD2-CG 3.81Å; L192-Y234 HydrophobicContact CG-CD1 4.18Å; L192-Y234 HydrophobicContact CG-CD2 4.28Å; L192-Y234 HydrophobicContact CG-CE1 3.72Å; L192-Y234 HydrophobicContact CG-CE2 3.83Å; L192-Y234 HydrophobicContact CG-CG 4.45Å
193P96.5Very high95.8Very high85 Ų8544.2 Ų44.255%0.55224%0.237SC*.THydrogen-bonded Turntrans-51.3126179.8-2935.1000112.7V195 M225 L228P193-V195 PolarHBondContact O-N 3.25Å; P193-M225 WeakPolarHBondContact O-CE 3.22Å; P193-L228 HydrophobicContact CB-CD1 4.45Å
194N96Very high95.8Very high130 Ų13044.3 Ų44.370%0.69524%0.237SC*.THydrogen-bonded Turntrans60.619.7-179.4-54.2-63.7000115.3L192 K199 M225L192-N194 PolarHBondContact O-N 2.74Å; N194-K199 VanDerWaalsContact O-CD 3.24Å; N194-K199 WeakPolarHBondContact O-CD 3.5Å; N194-K199 WeakPolarHBondContact O-CE 3.27Å; N194-K199 PolarHBondContact O-NZ 3.1Å; N194-M225 HydrophobicContact CB-CE 4.05Å
195V97.1Very high95.5Very high0 Ų049.2 Ų49.20%026%0.263CS..  trans-106.496.5172.6-175.50000109L183 N191 L192 P193 K199 L223 M225 L228L183-V195 HydrophobicContact CD1-CG1 4.19Å; L183-V195 HydrophobicContact CD2-CG1 4.25Å; L183-V195 HydrophobicContact CG-CG1 3.87Å; N191-V195 PolarHBondContact ND2-O 3.13Å; L192-V195 HydrophobicContact CB-CB 4.03Å; L192-V195 HydrophobicContact CB-CG2 3.78Å; L192-V195 WeakPolarHBondContact O-CB 3.35Å; L192-V195 PolarHBondContact O-N 3.47Å; P193-V195 PolarHBondContact O-N 3.25Å; V195-K199 HydrophobicContact CG1-CB 4.4Å; V195-L223 HydrophobicContact CG1-CD1 4.33Å; V195-L223 HydrophobicContact CG2-CD1 4.35Å; V195-M225 HydrophobicContact CG2-CE 4.31Å; V195-M225 HydrophobicContact CG2-SD 4.38Å; V195-L228 HydrophobicContact CG2-CD2 3.98Å
196G96.3Very high95.4Very high34 Ų3453.1 Ų53.135%0.35128%0.277SS..  trans-102.2178.5172.300000112.3R198 K199 A200G196-R198 VanDerWaalsContact C-N 3.31Å; G196-R198 PolarHBondContact O-N 2.98Å; G196-R198 VanDerWaalsContact O-N 3.14Å; G196-K199 PolarHBondContact O-N 3.25Å; G196-A200 PolarHBondContact O-N 3.02Å
197I96Very high95.5Very high9 Ų952.8 Ų52.85%0.04628%0.275CS..Hα-helixtrans-53.4-40.8-170.4-171.262.9000114.3L6 V9 S184 K199 A200 I201L6-I197 HydrophobicContact CD1-CD1 4.4Å; L6-I197 HydrophobicContact CD1-CG1 4.43Å; V9-I197 HydrophobicContact CG2-CG1 4.24Å; V9-I197 HydrophobicContact CG2-CG2 3.71Å; S184-I197 VanDerWaalsContact CB-CA 3.42Å; S184-I197 VanDerWaalsContact CB-N 3.31Å; I197-K199 PolarHBondContact O-N 2.95Å; I197-A200 PolarHBondContact O-N 3.34Å; I197-I201 HydrophobicContact CD1-CD1 4.29Å; I197-I201 HydrophobicContact CD1-CG1 4.4Å; I197-I201 HydrophobicContact CG1-CD1 3.97Å; I197-I201 WeakPolarHBondContact O-CG1 3.34Å; I197-I201 PolarHBondContact O-N 3.44Å
198R94.6Very high95.7Very high182 Ų18256.8 Ų56.869%0.68730%0.301SS*.Hα-helixtrans-64.4-38.7177.8-63.5-172.9-171.8-810.2112.7G196 K202G196-R198 VanDerWaalsContact C-N 3.31Å; G196-R198 PolarHBondContact O-N 2.98Å; G196-R198 VanDerWaalsContact O-N 3.14Å; R198-K202 WeakPolarHBondContact O-CB 3.39Å; R198-K202 PolarHBondContact O-N 3.37Å; R198-K202 VanDerWaalsContact O-N 3.11Å
199K96.9Very high95.7Very high78 Ų7858.2 Ų58.234%0.33931%0.312SS..Hα-helixtrans-72.1-38.7175.5-77.7-171.6-175.6177.50111N194 V195 G196 I197 K202 F203 L223 M225N194-K199 VanDerWaalsContact O-CD 3.24Å; N194-K199 WeakPolarHBondContact O-CD 3.5Å; N194-K199 WeakPolarHBondContact O-CE 3.27Å; N194-K199 PolarHBondContact O-NZ 3.1Å; V195-K199 HydrophobicContact CG1-CB 4.4Å; G196-K199 PolarHBondContact O-N 3.25Å; I197-K199 PolarHBondContact O-N 2.95Å; K199-K202 WeakPolarHBondContact O-CB 3.29Å; K199-K202 PolarHBondContact O-N 3.21Å; K199-F203 WeakPolarHBondContact O-CB 3.3Å; K199-F203 PolarHBondContact O-N 2.89Å; K199-L223 HydrophobicContact CB-CD1 4.11Å; K199-L223 HydrophobicContact CB-CD2 4.42Å; K199-L223 WeakPolarHBondContact O-CD2 3.37Å; K199-M225 HydrophobicContact CD-SD 4.26Å; K199-M225 PolarHBondContact NZ-SD 2.81Å
200A97.7Very high95.7Very high0 Ų063 Ų630%034%0.338CS..Hα-helixtrans-60.4-48.4176.300000111.6S180 L183 G196 I197 K202 F203 F204S180-A200 WeakPolarHBondContact O-CB 3.33Å; L183-A200 HydrophobicContact CB-CB 3.99Å; L183-A200 HydrophobicContact CD2-CB 3.92Å; L183-A200 HydrophobicContact CG-CB 3.99Å; G196-A200 PolarHBondContact O-N 3.02Å; I197-A200 PolarHBondContact O-N 3.34Å; A200-K202 PolarHBondContact O-N 3Å; A200-F203 WeakPolarHBondContact O-CB 3.1Å; A200-F203 PolarHBondContact O-N 3.42Å; A200-F203 VanDerWaalsContact O-N 3.11Å; A200-F204 WeakPolarHBondContact O-CD2 3.21Å; A200-F204 PolarHBondContact O-N 3.23Å
201I95.7Very high95.8Very high24 Ų2461 Ų6112%0.12332%0.319CS..Hα-helixtrans-58.7-46.2174-67.7165.4000111V9 L165 I197 F203 F204 N205V9-I201 HydrophobicContact CG1-CD1 3.73Å; L165-I201 HydrophobicContact CD2-CD1 3.78Å; L165-I201 HydrophobicContact CD2-CG1 4.5Å; I197-I201 HydrophobicContact CD1-CD1 4.29Å; I197-I201 HydrophobicContact CD1-CG1 4.4Å; I197-I201 HydrophobicContact CG1-CD1 3.97Å; I197-I201 WeakPolarHBondContact O-CG1 3.34Å; I197-I201 PolarHBondContact O-N 3.44Å; I201-F203 PolarHBondContact O-N 3.33Å; I201-F204 PolarHBondContact O-N 3.49Å; I201-N205 WeakPolarHBondContact O-CB 3.43Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 3.36Å; I201-N205 PolarHBondContact O-OD1 3.06Å
202K95.4Very high95.9Very high116 Ų11658.4 Ų58.450%0.50431%0.307SS..Hα-helixtrans-58.7-36.4176.6-179.7179.1180176.90112.7R198 K199 A200 L223R198-K202 WeakPolarHBondContact O-CB 3.39Å; R198-K202 PolarHBondContact O-N 3.37Å; R198-K202 VanDerWaalsContact O-N 3.11Å; K199-K202 WeakPolarHBondContact O-CB 3.29Å; K199-K202 PolarHBondContact O-N 3.21Å; A200-K202 PolarHBondContact O-N 3Å; K202-L223 HydrophobicContact CG-CD2 4.46Å
203F97.5Very high95.9Very high0 Ų063.1 Ų63.10%032%0.324CS..Hα-helixtrans-67.8-53.6176.2167-105.8000110.8L183 K199 A200 I201 N205 K206 V207 F215 M218 I219 Y222 L223L183-F203 HydrophobicContact CD2-CD1 3.66Å; L183-F203 HydrophobicContact CD2-CE1 4.24Å; L183-F203 HydrophobicContact CD2-CG 4.36Å; K199-F203 WeakPolarHBondContact O-CB 3.3Å; K199-F203 PolarHBondContact O-N 2.89Å; A200-F203 WeakPolarHBondContact O-CB 3.1Å; A200-F203 PolarHBondContact O-N 3.42Å; A200-F203 VanDerWaalsContact O-N 3.11Å; I201-F203 PolarHBondContact O-N 3.33Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.4Å; F203-K206 WeakPolarHBondContact O-CB 3.47Å; F203-K206 PolarHBondContact O-N 2.97Å; F203-V207 HydrophobicContact CD1-CG2 4.09Å; F203-V207 HydrophobicContact CD2-CG2 4.24Å; F203-V207 HydrophobicContact CE1-CG2 3.57Å; F203-V207 HydrophobicContact CE2-CG2 3.72Å; F203-V207 HydrophobicContact CG-CG2 4.39Å; F203-V207 HydrophobicContact CZ-CG2 3.34Å; F203-V207 PolarHBondContact O-N 3.17Å; F203-F215 HydrophobicContact CE1-CD2 4.04Å; F203-F215 HydrophobicContact CZ-CB 4.36Å; F203-F215 HydrophobicContact CZ-CD2 4.11Å; F203-F215 VanDerWaalsContact CZ-O 3.23Å; F203-F215 WeakPolarHBondContact CZ-O 3.45Å; F203-M218 HydrophobicContact CE2-CB 4.4Å; F203-I219 HydrophobicContact CD1-CG1 4.25Å; F203-I219 HydrophobicContact CD2-CG1 3.98Å; F203-I219 HydrophobicContact CE1-CD1 4.48Å; F203-I219 HydrophobicContact CE1-CG1 3.88Å; F203-I219 HydrophobicContact CE2-CB 4.29Å; F203-I219 HydrophobicContact CE2-CG1 3.59Å; F203-I219 HydrophobicContact CG-CG1 4.3Å; F203-I219 HydrophobicContact CZ-CD1 4.49Å; F203-I219 HydrophobicContact CZ-CG1 3.55Å; F203-Y222 AromaticContact CD2-CD2 3.83Å; F203-Y222 HydrophobicContact CD2-CD2 3.83Å; F203-Y222 HydrophobicContact CD2-CG 4.3Å; F203-Y222 AromaticContact CE2-CD2 3.66Å; F203-Y222 HydrophobicContact CE2-CD2 3.66Å; F203-Y222 HydrophobicContact CE2-CE2 4.47Å; F203-Y222 HydrophobicContact CE2-CG 4.3Å; F203-L223 HydrophobicContact CB-CD1 4.35Å; F203-L223 HydrophobicContact CB-CD2 3.91Å; F203-L223 HydrophobicContact CB-CG 4.17Å
204F96.5Very high95.9Very high1 Ų165.5 Ų65.50%0.00433%0.325CS..Hα-helixtrans-66.5-24.1-177.6-78.5-70.3000113.9K176 R179 S180 L183 A200 I201 K206 V207 F215 F238K176-F204 HydrophobicContact CB-CB 4.11Å; K176-F204 HydrophobicContact CG-CB 4.27Å; K176-F204 HydrophobicContact CG-CD1 4.25Å; R179-F204 VanDerWaalsContact C-CE2 3.41Å; R179-F204 HydrophobicContact CB-CD1 4.26Å; R179-F204 HydrophobicContact CB-CD2 4.31Å; R179-F204 HydrophobicContact CB-CE1 3.7Å; R179-F204 HydrophobicContact CB-CE2 3.74Å; R179-F204 HydrophobicContact CB-CZ 3.43Å; R179-F204 VanDerWaalsContact CB-CZ 3.43Å; R179-F204 HydrophobicContact CG-CE1 4.41Å; R179-F204 HydrophobicContact CG-CZ 4.39Å; R179-F204 WeakPolarHBondContact O-CE2 3.27Å; S180-F204 WeakPolarHBondContact OG-CD2 3.34Å; L183-F204 HydrophobicContact CB-CE2 4.07Å; L183-F204 HydrophobicContact CD2-CD2 4.42Å; L183-F204 HydrophobicContact CD2-CE2 3.74Å; L183-F204 HydrophobicContact CD2-CZ 4.45Å; A200-F204 WeakPolarHBondContact O-CD2 3.21Å; A200-F204 PolarHBondContact O-N 3.23Å; I201-F204 PolarHBondContact O-N 3.49Å; F204-K206 PolarHBondContact O-N 3.31Å; F204-K206 VanDerWaalsContact O-N 3.16Å; F204-V207 HydrophobicContact CD1-CB 4.25Å; F204-V207 HydrophobicContact CD1-CG2 4.19Å; F204-V207 PolarHBondContact O-N 3.04Å; F204-F215 AromaticContact CE1-CD2 3.98Å; F204-F215 HydrophobicContact CE1-CD2 3.98Å; F204-F215 AromaticContact CE1-CE2 3.62Å; F204-F215 HydrophobicContact CE1-CE2 3.62Å; F204-F215 AromaticContact CE1-CZ 3.97Å; F204-F215 HydrophobicContact CE1-CZ 3.97Å; F204-F215 HydrophobicContact CZ-CD2 4.33Å; F204-F215 AromaticContact CZ-CE2 3.77Å; F204-F215 HydrophobicContact CZ-CE2 3.77Å; F204-F215 HydrophobicContact CZ-CZ 4.35Å; F204-F238 HydrophobicContact CZ-CZ 4.15Å
205N93.1Very high96Very high111 Ų11159.6 Ų59.659%0.59429%0.293SS*.THydrogen-bonded Turntrans-61-18.7168.6-75.2-8000113.7I201 F203I201-N205 WeakPolarHBondContact O-CB 3.43Å; I201-N205 VanDerWaalsContact O-CG 3.23Å; I201-N205 PolarHBondContact O-N 3.36Å; I201-N205 PolarHBondContact O-OD1 3.06Å; F203-N205 VanDerWaalsContact C-N 3.25Å; F203-N205 PolarHBondContact O-N 3.4Å
206K94.1Very high96.1Very high92 Ų9259.6 Ų59.640%0.429%0.293SS..THydrogen-bonded Turntrans-104.2-15.2177.9-60.9179.1179.7-175.30113.8F203 F204 Y222F203-K206 WeakPolarHBondContact O-CB 3.47Å; F203-K206 PolarHBondContact O-N 2.97Å; F204-K206 PolarHBondContact O-N 3.31Å; F204-K206 VanDerWaalsContact O-N 3.16Å; K206-Y222 HydrophobicContact CB-CD2 3.79Å; K206-Y222 HydrophobicContact CB-CE2 4Å; K206-Y222 HydrophobicContact CB-CG 4.41Å; K206-Y222 HydrophobicContact CD-CD2 4.37Å; K206-Y222 HydrophobicContact CD-CG 4.2Å; K206-Y222 PolarHBondContact NZ-O 3.48Å
207V96Very high96.1Very high4 Ų463 Ų632%0.02430%0.299CS..  trans-76.9129.8-175.71720000110K176 F203 F204 S209 F215 Y222K176-V207 WeakPolarHBondContact CE-O 3.38Å; K176-V207 PolarHBondContact NZ-O 2.84Å; F203-V207 HydrophobicContact CD1-CG2 4.09Å; F203-V207 HydrophobicContact CD2-CG2 4.24Å; F203-V207 HydrophobicContact CE1-CG2 3.57Å; F203-V207 HydrophobicContact CE2-CG2 3.72Å; F203-V207 HydrophobicContact CG-CG2 4.39Å; F203-V207 HydrophobicContact CZ-CG2 3.34Å; F203-V207 PolarHBondContact O-N 3.17Å; F204-V207 HydrophobicContact CD1-CB 4.25Å; F204-V207 HydrophobicContact CD1-CG2 4.19Å; F204-V207 PolarHBondContact O-N 3.04Å; V207-S209 WeakPolarHBondContact CG1-O 3.24Å; V207-F215 HydrophobicContact CG1-CB 3.61Å; V207-F215 HydrophobicContact CG1-CD1 4.08Å; V207-F215 HydrophobicContact CG1-CG 3.94Å; V207-F215 HydrophobicContact CG2-CB 4.15Å; V207-Y222 HydrophobicContact CG2-CD2 4.42Å; V207-Y222 HydrophobicContact CG2-CE2 4.33Å
208T93.8Very high96.2Very high128 Ų12865.7 Ų65.779%0.78531%0.312SS*.  trans-113.1-23.3174.353.80000113.2
209S94.2Very high96.4Very high41 Ų4157 Ų5729%0.28728%0.279SS..  trans-81140.7175.9-176.20000111V207 D211 F215V207-S209 WeakPolarHBondContact CG1-O 3.24Å; S209-D211 PolarHBondContact OG-N 3.38Å; S209-F215 VanDerWaalsContact O-CD1 3.31Å; S209-F215 WeakPolarHBondContact O-CD1 3.42Å
210D94.2Very high96.4Very high111 Ų11154.6 Ų54.659%0.59427%0.271SS*.  trans-89.5-8.8174.1-71.8-44.5000114.4R179 P212R179-D210 IonicContact NH1-OD1 2.58Å; R179-D210 PolarHBondContact NH2-O 3.42Å; D210-P212 VanDerWaalsContact O-CD 3.27Å; D210-P212 WeakPolarHBondContact O-CD 3.19Å
211D96.8Very high96.4Very high53 Ų5360.2 Ų60.228%0.28330%0.301SS..  trans-83111.2-178.3178.3-3.7000110.7S209 R213 K214 F215S209-D211 PolarHBondContact OG-N 3.38Å; D211-R213 PolarHBondContact O-N 3.12Å; D211-R213 WeakPolarHBondContact OD1-CB 3.35Å; D211-R213 PolarHBondContact OD1-N 3.21Å; D211-K214 HydrophobicContact CB-CB 4.19Å; D211-K214 HydrophobicContact CB-CD 4Å; D211-K214 HydrophobicContact CB-CG 4.17Å; D211-K214 PolarHBondContact O-N 3.16Å; D211-K214 WeakPolarHBondContact OD2-CD 3.45Å; D211-K214 WeakPolarHBondContact OD2-CE 3.31Å; D211-K214 WeakPolarHBondContact OD2-CG 3.39Å; D211-K214 IonicContact OD2-NZ 3.64Å; D211-F215 WeakPolarHBondContact O-CD1 3.28Å; D211-F215 PolarHBondContact O-N 2.84Å
212P97.5Very high96.4Very high19 Ų1962.2 Ų62.212%0.12331%0.307CS..Hα-helixtrans-58.8-32.4-179.222-31.2000113.4D210 K214 F215 L216 F238 I239D210-P212 VanDerWaalsContact O-CD 3.27Å; D210-P212 WeakPolarHBondContact O-CD 3.19Å; P212-K214 PolarHBondContact O-N 2.82Å; P212-F215 HydrophobicContact CB-CE1 3.86Å; P212-F215 HydrophobicContact CB-CE2 4.14Å; P212-F215 HydrophobicContact CB-CZ 3.57Å; P212-L216 HydrophobicContact CB-CD1 4.21Å; P212-L216 VanDerWaalsContact O-CB 3.22Å; P212-L216 WeakPolarHBondContact O-CB 3.42Å; P212-L216 WeakPolarHBondContact O-CD1 3.27Å; P212-L216 WeakPolarHBondContact O-CG 3.3Å; P212-L216 PolarHBondContact O-N 3.46Å; P212-F238 HydrophobicContact CB-CD1 4.43Å; P212-I239 HydrophobicContact CB-CD1 4.28Å; P212-I239 HydrophobicContact CB-CG1 3.87Å; P212-I239 HydrophobicContact CG-CD1 3.8Å; P212-I239 HydrophobicContact CG-CG1 3.55Å
213R97.8Very high96.5Very high108 Ų10857.6 Ų57.641%0.40829%0.288SS..Hα-helixtrans-68.6-25.8178.9-58.5-166.4170.277.9-0.1112.2D211 K217 I235 E236 I239D211-R213 PolarHBondContact O-N 3.12Å; D211-R213 WeakPolarHBondContact OD1-CB 3.35Å; D211-R213 PolarHBondContact OD1-N 3.21Å; R213-K217 WeakPolarHBondContact O-CD 3.49Å; R213-K217 WeakPolarHBondContact O-CG 3.42Å; R213-I235 HydrophobicContact CB-CG2 4.35Å; R213-I235 HydrophobicContact CG-CG2 3.8Å; R213-E236 IonicContact CZ-OE1 2.96Å; R213-E236 VanDerWaalsContact CZ-OE1 3.25Å; R213-E236 IonicContact CZ-OE2 3.8Å; R213-E236 IonicContact NE-OE1 3.75Å; R213-E236 PolarHBondContact NE-OE1 3.25Å; R213-E236 IonicContact NH2-OE1 3.61Å; R213-E236 PolarHBondContact NH2-OE1 3.5Å; R213-E236 IonicContact NH2-OE2 3.36Å; R213-E236 PolarHBondContact NH2-OE2 3.3Å; R213-I239 HydrophobicContact CG-CD1 4.02Å; R213-I239 VanDerWaalsContact CZ-CD1 3.42Å
214K97.3Very high96.5Very high135 Ų13568 Ų6859%0.58733%0.327SS*.Hα-helixtrans-85.9-54174-68.5176.2-171167.70111.6D211 P212 L216 K217D211-K214 HydrophobicContact CB-CB 4.19Å; D211-K214 HydrophobicContact CB-CD 4Å; D211-K214 HydrophobicContact CB-CG 4.17Å; D211-K214 PolarHBondContact O-N 3.16Å; D211-K214 WeakPolarHBondContact OD2-CD 3.45Å; D211-K214 WeakPolarHBondContact OD2-CE 3.31Å; D211-K214 WeakPolarHBondContact OD2-CG 3.39Å; D211-K214 IonicContact OD2-NZ 3.64Å; P212-K214 PolarHBondContact O-N 2.82Å; K214-L216 PolarHBondContact O-N 3.5Å; K214-K217 PolarHBondContact O-N 2.96Å
215F97.7Very high96.6Very high5 Ų569.4 Ų69.42%0.02233%0.334CS..Hα-helixtrans-69.3-37.1-171.967.4-117.6000112.6F203 F204 V207 S209 D211 P212 K217 M218 F238F203-F215 HydrophobicContact CE1-CD2 4.04Å; F203-F215 HydrophobicContact CZ-CB 4.36Å; F203-F215 HydrophobicContact CZ-CD2 4.11Å; F203-F215 VanDerWaalsContact CZ-O 3.23Å; F203-F215 WeakPolarHBondContact CZ-O 3.45Å; F204-F215 AromaticContact CE1-CD2 3.98Å; F204-F215 HydrophobicContact CE1-CD2 3.98Å; F204-F215 AromaticContact CE1-CE2 3.62Å; F204-F215 HydrophobicContact CE1-CE2 3.62Å; F204-F215 AromaticContact CE1-CZ 3.97Å; F204-F215 HydrophobicContact CE1-CZ 3.97Å; F204-F215 HydrophobicContact CZ-CD2 4.33Å; F204-F215 AromaticContact CZ-CE2 3.77Å; F204-F215 HydrophobicContact CZ-CE2 3.77Å; F204-F215 HydrophobicContact CZ-CZ 4.35Å; V207-F215 HydrophobicContact CG1-CB 3.61Å; V207-F215 HydrophobicContact CG1-CD1 4.08Å; V207-F215 HydrophobicContact CG1-CG 3.94Å; V207-F215 HydrophobicContact CG2-CB 4.15Å; S209-F215 VanDerWaalsContact O-CD1 3.31Å; S209-F215 WeakPolarHBondContact O-CD1 3.42Å; D211-F215 WeakPolarHBondContact O-CD1 3.28Å; D211-F215 PolarHBondContact O-N 2.84Å; P212-F215 HydrophobicContact CB-CE1 3.86Å; P212-F215 HydrophobicContact CB-CE2 4.14Å; P212-F215 HydrophobicContact CB-CZ 3.57Å; F215-K217 PolarHBondContact O-N 3.39Å; F215-M218 WeakPolarHBondContact O-CA 3.28Å; F215-M218 VanDerWaalsContact O-CB 3.3Å; F215-M218 WeakPolarHBondContact O-CB 3.06Å; F215-M218 PolarHBondContact O-N 3.25Å; F215-F238 HydrophobicContact CE2-CE1 4.23Å; F215-F238 HydrophobicContact CE2-CZ 4.45Å; F215-F238 HydrophobicContact CZ-CE1 4.13Å
216L98.3Very high96.7Very high0 Ų069.9 Ų69.90%034%0.343CS..G310 helixtrans-62.9-32.4-177.2-69.1173.8000112.1P212 K214 M218 I219 V230 I235 F238P212-L216 HydrophobicContact CB-CD1 4.21Å; P212-L216 VanDerWaalsContact O-CB 3.22Å; P212-L216 WeakPolarHBondContact O-CB 3.42Å; P212-L216 WeakPolarHBondContact O-CD1 3.27Å; P212-L216 WeakPolarHBondContact O-CG 3.3Å; P212-L216 PolarHBondContact O-N 3.46Å; K214-L216 PolarHBondContact O-N 3.5Å; L216-M218 PolarHBondContact O-N 3.34Å; L216-I219 HydrophobicContact CB-CD1 4.32Å; L216-I219 HydrophobicContact CD2-CD1 3.74Å; L216-I219 WeakPolarHBondContact O-CB 3.42Å; L216-I219 WeakPolarHBondContact O-CD1 3.32Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 3.27Å; L216-V230 HydrophobicContact CB-CG1 4.28Å; L216-I235 HydrophobicContact CB-CG1 4.08Å; L216-I235 HydrophobicContact CD1-CB 4.2Å; L216-I235 HydrophobicContact CD1-CG1 3.94Å; L216-I235 HydrophobicContact CD1-CG2 4.17Å; L216-F238 HydrophobicContact CD1-CB 3.88Å; L216-F238 HydrophobicContact CD1-CD1 3.81Å; L216-F238 HydrophobicContact CD1-CD2 4.45Å; L216-F238 HydrophobicContact CD1-CG 3.78Å; L216-F238 HydrophobicContact CD2-CD1 4.42Å; L216-F238 HydrophobicContact CD2-CD2 4.16Å; L216-F238 HydrophobicContact CD2-CE2 4.25Å; L216-F238 HydrophobicContact CD2-CG 4.26Å; L216-F238 HydrophobicContact CD2-CZ 4.43Å
217K97.4Very high96.8Very high106 Ų10675.2 Ų75.246%0.46137%0.366SS..G310 helixtrans-65.9-18.5174.8-65.1-177.7-179.9-174.80113.2R213 K214 F215 P220 E232 I235R213-K217 WeakPolarHBondContact O-CD 3.49Å; R213-K217 WeakPolarHBondContact O-CG 3.42Å; K214-K217 PolarHBondContact O-N 2.96Å; F215-K217 PolarHBondContact O-N 3.39Å; K217-P220 WeakPolarHBondContact O-CD 3.42Å; K217-E232 WeakPolarHBondContact CE-OE1 3.44Å; K217-E232 IonicContact NZ-OE1 3.64Å; K217-E232 PolarHBondContact NZ-OE1 2.89Å; K217-E232 IonicContact NZ-OE2 3.94Å; K217-I235 HydrophobicContact CD-CD1 4.5Å; K217-I235 HydrophobicContact CG-CD1 4Å
218M97.6Very high96.9Very high66 Ų6675.9 Ų75.933%0.32537%0.37SS..G310 helixtrans-85.6-6.7178.6-56.3-57-74.400113.6F203 F215 L216 L221 Y222F203-M218 HydrophobicContact CE2-CB 4.4Å; F215-M218 WeakPolarHBondContact O-CA 3.28Å; F215-M218 VanDerWaalsContact O-CB 3.3Å; F215-M218 WeakPolarHBondContact O-CB 3.06Å; F215-M218 PolarHBondContact O-N 3.25Å; L216-M218 PolarHBondContact O-N 3.34Å; M218-L221 HydrophobicContact CE-CD2 3.57Å; M218-L221 PolarHBondContact O-N 3.23Å; M218-Y222 HydrophobicContact CB-CD1 4.47Å; M218-Y222 HydrophobicContact CB-CD2 4.23Å; M218-Y222 HydrophobicContact CB-CE1 4.37Å; M218-Y222 HydrophobicContact CB-CE2 4.12Å; M218-Y222 HydrophobicContact CB-CG 4.4Å; M218-Y222 HydrophobicContact CE-CE1 3.92Å; M218-Y222 PolarHBondContact O-N 3.41Å
219I98Very high97.1Very high0 Ų074.9 Ų74.90%036%0.363CS..Hα-helixtrans-54.8-50.5-178.1-65.5167.6000112.1L183 L192 F203 L216 L221 Y222 L223 L228 V230L183-I219 HydrophobicContact CD1-CD1 3.78Å; L183-I219 HydrophobicContact CD2-CD1 4.19Å; L192-I219 HydrophobicContact CD1-CD1 3.84Å; L192-I219 HydrophobicContact CD1-CG2 4.44Å; F203-I219 HydrophobicContact CD1-CG1 4.25Å; F203-I219 HydrophobicContact CD2-CG1 3.98Å; F203-I219 HydrophobicContact CE1-CD1 4.48Å; F203-I219 HydrophobicContact CE1-CG1 3.88Å; F203-I219 HydrophobicContact CE2-CB 4.29Å; F203-I219 HydrophobicContact CE2-CG1 3.59Å; F203-I219 HydrophobicContact CG-CG1 4.3Å; F203-I219 HydrophobicContact CZ-CD1 4.49Å; F203-I219 HydrophobicContact CZ-CG1 3.55Å; L216-I219 HydrophobicContact CB-CD1 4.32Å; L216-I219 HydrophobicContact CD2-CD1 3.74Å; L216-I219 WeakPolarHBondContact O-CB 3.42Å; L216-I219 WeakPolarHBondContact O-CD1 3.32Å; L216-I219 WeakPolarHBondContact O-CG1 3.36Å; L216-I219 PolarHBondContact O-N 3.27Å; I219-L221 PolarHBondContact O-N 3.36Å; I219-Y222 PolarHBondContact O-N 3.03Å; I219-L223 HydrophobicContact CG2-CD1 3.76Å; I219-L223 HydrophobicContact CG2-CG 4.32Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 PolarHBondContact O-N 3.12Å; I219-L228 HydrophobicContact CG2-CD2 3.63Å; I219-V230 HydrophobicContact CB-CG2 4.34Å; I219-V230 HydrophobicContact CD1-CG2 4.41Å
220P97.5Very high97.2Very high27 Ų2774 Ų7418%0.17536%0.356CS..Hα-helixtrans-57.1-39.2-179.8-26.537.7000112.5K217 R224 M225 L228 V230K217-P220 WeakPolarHBondContact O-CD 3.42Å; P220-R224 CarbonylContact O-C 3.43Å; P220-R224 WeakPolarHBondContact O-CA 3.46Å; P220-R224 PolarHBondContact O-N 2.96Å; P220-R224 VanDerWaalsContact O-N 3.16Å; P220-M225 WeakPolarHBondContact CB-O 3.2Å; P220-M225 PolarHBondContact O-N 3.03Å; P220-L228 HydrophobicContact CG-CB 4.36Å; P220-L228 VanDerWaalsContact CG-O 3.24Å; P220-L228 WeakPolarHBondContact CG-O 3.49Å; P220-V230 HydrophobicContact CG-CG2 4.28Å
221L97.1Very high97.4Very high118 Ų11872 Ų7262%0.61835%0.348SS*.Hα-helixtrans-70.4-53.1178.8-176.966.7000111.7M218 I219 L223 R224M218-L221 HydrophobicContact CE-CD2 3.57Å; M218-L221 PolarHBondContact O-N 3.23Å; I219-L221 PolarHBondContact O-N 3.36Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.94Å; L221-R224 PolarHBondContact O-N 2.91Å
222Y97.5Very high97.4Very high65 Ų6574.2 Ų74.226%0.25536%0.357SS..Hα-helixtrans-70.6-28.1-172.4-76.25.6000113.6F203 K206 V207 M218 I219F203-Y222 AromaticContact CD2-CD2 3.83Å; F203-Y222 HydrophobicContact CD2-CD2 3.83Å; F203-Y222 HydrophobicContact CD2-CG 4.3Å; F203-Y222 AromaticContact CE2-CD2 3.66Å; F203-Y222 HydrophobicContact CE2-CD2 3.66Å; F203-Y222 HydrophobicContact CE2-CE2 4.47Å; F203-Y222 HydrophobicContact CE2-CG 4.3Å; K206-Y222 HydrophobicContact CB-CD2 3.79Å; K206-Y222 HydrophobicContact CB-CE2 4Å; K206-Y222 HydrophobicContact CB-CG 4.41Å; K206-Y222 HydrophobicContact CD-CD2 4.37Å; K206-Y222 HydrophobicContact CD-CG 4.2Å; K206-Y222 PolarHBondContact NZ-O 3.48Å; V207-Y222 HydrophobicContact CG2-CD2 4.42Å; V207-Y222 HydrophobicContact CG2-CE2 4.33Å; M218-Y222 HydrophobicContact CB-CD1 4.47Å; M218-Y222 HydrophobicContact CB-CD2 4.23Å; M218-Y222 HydrophobicContact CB-CE1 4.37Å; M218-Y222 HydrophobicContact CB-CE2 4.12Å; M218-Y222 HydrophobicContact CB-CG 4.4Å; M218-Y222 HydrophobicContact CE-CE1 3.92Å; M218-Y222 PolarHBondContact O-N 3.41Å; I219-Y222 PolarHBondContact O-N 3.03Å
223L97.5Very high97.4Very high19 Ų1980.3 Ų80.310%0.09938%0.384CS..THydrogen-bonded Turntrans-96.3-1.4175.9-63.1-173.5000114V195 K199 K202 F203 I219 L221 M225V195-L223 HydrophobicContact CG1-CD1 4.33Å; V195-L223 HydrophobicContact CG2-CD1 4.35Å; K199-L223 HydrophobicContact CB-CD1 4.11Å; K199-L223 HydrophobicContact CB-CD2 4.42Å; K199-L223 WeakPolarHBondContact O-CD2 3.37Å; K202-L223 HydrophobicContact CG-CD2 4.46Å; F203-L223 HydrophobicContact CB-CD1 4.35Å; F203-L223 HydrophobicContact CB-CD2 3.91Å; F203-L223 HydrophobicContact CB-CG 4.17Å; I219-L223 HydrophobicContact CG2-CD1 3.76Å; I219-L223 HydrophobicContact CG2-CG 4.32Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 PolarHBondContact O-N 3.12Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 2.94Å; L223-M225 HydrophobicContact CB-CG 4.14Å; L223-M225 HydrophobicContact CB-SD 4.06Å; L223-M225 HydrophobicContact CD1-SD 4.4Å
224R97.4Very high97.4Very high219 Ų21976.3 Ų76.383%0.82637%0.368SS*.THydrogen-bonded Turntrans5649.1-176.8-55.8179.8-178.1165.3-1.6112.2P220 L221 P226P220-R224 CarbonylContact O-C 3.43Å; P220-R224 WeakPolarHBondContact O-CA 3.46Å; P220-R224 PolarHBondContact O-N 2.96Å; P220-R224 VanDerWaalsContact O-N 3.16Å; L221-R224 PolarHBondContact O-N 2.91Å; R224-P226 WeakPolarHBondContact O-CD 3.35Å
225M97.3Very high97.5Very high31 Ų3169.9 Ų69.915%0.15334%0.341CS..  trans-122.470.2-179.2-66179.561.600109.8P193 N194 V195 K199 P220 L223 K227 L228P193-M225 WeakPolarHBondContact O-CE 3.22Å; N194-M225 HydrophobicContact CB-CE 4.05Å; V195-M225 HydrophobicContact CG2-CE 4.31Å; V195-M225 HydrophobicContact CG2-SD 4.38Å; K199-M225 HydrophobicContact CD-SD 4.26Å; K199-M225 PolarHBondContact NZ-SD 2.81Å; P220-M225 WeakPolarHBondContact CB-O 3.2Å; P220-M225 PolarHBondContact O-N 3.03Å; L223-M225 HydrophobicContact CB-CG 4.14Å; L223-M225 HydrophobicContact CB-SD 4.06Å; L223-M225 HydrophobicContact CD1-SD 4.4Å; M225-K227 PolarHBondContact O-N 3.28Å; M225-K227 VanDerWaalsContact O-N 3.09Å; M225-L228 HydrophobicContact CB-CB 3.9Å; M225-L228 HydrophobicContact CB-CD2 4.43Å; M225-L228 HydrophobicContact CE-CB 4.43Å; M225-L228 HydrophobicContact CE-CD1 4.32Å; M225-L228 HydrophobicContact CE-CD2 4.16Å; M225-L228 VanDerWaalsContact O-CB 3.25Å; M225-L228 WeakPolarHBondContact O-CB 3.21Å; M225-L228 PolarHBondContact O-N 3.31Å; M225-L228 HydrophobicContact SD-CD2 4.47Å
226P95.9Very high97.5Very high121 Ų12173 Ų7379%0.78636%0.355SS*.THydrogen-bonded Turntrans-64.2-19.8-169.625.9-35.9000114.6R224R224-P226 WeakPolarHBondContact O-CD 3.35Å
227K96.6Very high97.5Very high203 Ų20375.1 Ų75.188%0.88336%0.363SS*.THydrogen-bonded Turntrans-88.3-5.2176.1-61.5-174.8179.2-176.70113.6M225 V229M225-K227 PolarHBondContact O-N 3.28Å; M225-K227 VanDerWaalsContact O-N 3.09Å; K227-V229 PolarHBondContact O-N 2.89Å
228L97.6Very high97.5Very high19 Ų1970.1 Ų70.110%0.09934%0.341CS..  trans-76.7123.1-179.6-175.369000109.4L192 P193 V195 I219 P220 M225L192-L228 HydrophobicContact CB-CD1 4.25Å; L192-L228 HydrophobicContact CD1-CD2 4.21Å; P193-L228 HydrophobicContact CB-CD1 4.45Å; V195-L228 HydrophobicContact CG2-CD2 3.98Å; I219-L228 HydrophobicContact CG2-CD2 3.63Å; P220-L228 HydrophobicContact CG-CB 4.36Å; P220-L228 VanDerWaalsContact CG-O 3.24Å; P220-L228 WeakPolarHBondContact CG-O 3.49Å; M225-L228 HydrophobicContact CB-CB 3.9Å; M225-L228 HydrophobicContact CB-CD2 4.43Å; M225-L228 HydrophobicContact CE-CB 4.43Å; M225-L228 HydrophobicContact CE-CD1 4.32Å; M225-L228 HydrophobicContact CE-CD2 4.16Å; M225-L228 VanDerWaalsContact O-CB 3.25Å; M225-L228 WeakPolarHBondContact O-CB 3.21Å; M225-L228 PolarHBondContact O-N 3.31Å; M225-L228 HydrophobicContact SD-CD2 4.47Å
229V96.9Very high97.5Very high106 Ų10668 Ų6864%0.64233%0.331SS*.  trans-98.2131174.8-179.30000108.7K227 T231K227-V229 PolarHBondContact O-N 2.89Å; V229-T231 HydrophobicContact CG1-CG2 4.1Å
230V97.9Very high97.5Very high22 Ų2270 Ų7013%0.13334%0.341CS..  trans-110.2105.1170.6-174.40000106.4L192 L216 I219 P220 Y234 I235L192-V230 HydrophobicContact CD1-CG2 3.88Å; L216-V230 HydrophobicContact CB-CG1 4.28Å; I219-V230 HydrophobicContact CB-CG2 4.34Å; I219-V230 HydrophobicContact CD1-CG2 4.41Å; P220-V230 HydrophobicContact CG-CG2 4.28Å; V230-Y234 HydrophobicContact CG1-CD1 3.99Å; V230-I235 HydrophobicContact CG1-CD1 4.3Å; V230-I235 HydrophobicContact CG1-CG1 3.95Å
231T97.6Very high97.5Very high69 Ų6968.7 Ų68.742%0.42333%0.332SS..  trans-76.9156.4-178.360.20000110.8V229 E233 Y234 I235V229-T231 HydrophobicContact CG1-CG2 4.1Å; T231-E233 PolarHBondContact O-N 3.2Å; T231-Y234 WeakPolarHBondContact O-CB 3.34Å; T231-Y234 PolarHBondContact O-N 3.44Å; T231-Y234 WeakPolarHBondContact OG1-CB 3.46Å; T231-Y234 PolarHBondContact OG1-N 2.89Å; T231-Y234 VanDerWaalsContact OG1-N 3.13Å; T231-I235 WeakPolarHBondContact O-CG1 3.47Å; T231-I235 PolarHBondContact O-N 3.44Å
232E97.7Very high97.6Very high101 Ų10163.6 Ų63.647%0.47231%0.305SS..Hα-helixtrans-61.4-36.4172.5-63.1-60.4148.900111.2K217 Y234 I235 E236K217-E232 WeakPolarHBondContact CE-OE1 3.44Å; K217-E232 IonicContact NZ-OE1 3.64Å; K217-E232 PolarHBondContact NZ-OE1 2.89Å; K217-E232 IonicContact NZ-OE2 3.94Å; E232-Y234 VanDerWaalsContact C-N 3.34Å; E232-Y234 PolarHBondContact O-N 3.41Å; E232-I235 WeakPolarHBondContact O-CB 3.21Å; E232-I235 PolarHBondContact O-N 3.03Å; E232-I235 VanDerWaalsContact O-N 3.12Å; E232-E236 PolarHBondContact O-N 3.26Å
233E97.6Very high97.6Very high147 Ų14761.9 Ų61.969%0.68730%0.3SS*.Hα-helixtrans-56.7-45.7172.6-174.8-173.6172.500111.9T231 I235 E236 R237T231-E233 PolarHBondContact O-N 3.2Å; E233-I235 VanDerWaalsContact C-N 3.29Å; E233-I235 PolarHBondContact O-N 3.48Å; E233-E236 PolarHBondContact O-N 2.83Å; E233-R237 HydrophobicContact CG-CG 4.5Å; E233-R237 VanDerWaalsContact O-CG 3.27Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.35Å
234Y98Very high97.6Very high23 Ų2361.2 Ų61.29%0.0930%0.297CS..Hα-helixtrans-61.6-39.1176.8-176.8-92.6000112.1L183 V189 S190 L192 V230 T231 E232 R237 F238L183-Y234 HydrophobicContact CD1-CE1 4.31Å; L183-Y234 WeakPolarHBondContact CD1-OH 3.29Å; V189-Y234 HydrophobicContact CG2-CD2 4.37Å; V189-Y234 HydrophobicContact CG2-CE2 3.96Å; S190-Y234 VanDerWaalsContact O-CE2 3.29Å; S190-Y234 WeakPolarHBondContact O-CE2 3.25Å; L192-Y234 HydrophobicContact CD1-CD1 4.3Å; L192-Y234 HydrophobicContact CD1-CE1 3.86Å; L192-Y234 HydrophobicContact CD2-CD1 3.94Å; L192-Y234 HydrophobicContact CD2-CD2 3.72Å; L192-Y234 HydrophobicContact CD2-CE1 4Å; L192-Y234 HydrophobicContact CD2-CE2 3.78Å; L192-Y234 HydrophobicContact CD2-CG 3.81Å; L192-Y234 HydrophobicContact CG-CD1 4.18Å; L192-Y234 HydrophobicContact CG-CD2 4.28Å; L192-Y234 HydrophobicContact CG-CE1 3.72Å; L192-Y234 HydrophobicContact CG-CE2 3.83Å; L192-Y234 HydrophobicContact CG-CG 4.45Å; V230-Y234 HydrophobicContact CG1-CD1 3.99Å; T231-Y234 WeakPolarHBondContact O-CB 3.34Å; T231-Y234 PolarHBondContact O-N 3.44Å; T231-Y234 WeakPolarHBondContact OG1-CB 3.46Å; T231-Y234 PolarHBondContact OG1-N 2.89Å; T231-Y234 VanDerWaalsContact OG1-N 3.13Å; E232-Y234 VanDerWaalsContact C-N 3.34Å; E232-Y234 PolarHBondContact O-N 3.41Å; Y234-R237 PolarHBondContact O-N 3.02Å; Y234-F238 HydrophobicContact CE1-CB 4.47Å; Y234-F238 HydrophobicContact CE1-CD2 4.47Å; Y234-F238 WeakPolarHBondContact O-CB 3.49Å; Y234-F238 PolarHBondContact O-N 2.88Å
235I98.4Very high97.6Very high0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-61.8-48.4178.4-68.6172.1000110.3R213 L216 K217 V230 T231 E232 E233 F238 I239R213-I235 HydrophobicContact CB-CG2 4.35Å; R213-I235 HydrophobicContact CG-CG2 3.8Å; L216-I235 HydrophobicContact CB-CG1 4.08Å; L216-I235 HydrophobicContact CD1-CB 4.2Å; L216-I235 HydrophobicContact CD1-CG1 3.94Å; L216-I235 HydrophobicContact CD1-CG2 4.17Å; K217-I235 HydrophobicContact CD-CD1 4.5Å; K217-I235 HydrophobicContact CG-CD1 4Å; V230-I235 HydrophobicContact CG1-CD1 4.3Å; V230-I235 HydrophobicContact CG1-CG1 3.95Å; T231-I235 WeakPolarHBondContact O-CG1 3.47Å; T231-I235 PolarHBondContact O-N 3.44Å; E232-I235 WeakPolarHBondContact O-CB 3.21Å; E232-I235 PolarHBondContact O-N 3.03Å; E232-I235 VanDerWaalsContact O-N 3.12Å; E233-I235 VanDerWaalsContact C-N 3.29Å; E233-I235 PolarHBondContact O-N 3.48Å; I235-F238 WeakPolarHBondContact O-CB 3.38Å; I235-F238 PolarHBondContact O-N 3.24Å; I235-I239 HydrophobicContact CG2-CD1 4.07Å; I235-I239 VanDerWaalsContact O-CG1 3.32Å; I235-I239 WeakPolarHBondContact O-CG1 3.36Å; I235-I239 PolarHBondContact O-N 2.84Å
236E97.8Very high97.6Very high71 Ų7150.7 Ų50.733%0.33226%0.258SS..Hα-helixtrans-64.2-44178.4-62.9-54137.900111.5R213 E232 E233 F238 I239 E240R213-E236 IonicContact CZ-OE1 2.96Å; R213-E236 VanDerWaalsContact CZ-OE1 3.25Å; R213-E236 IonicContact CZ-OE2 3.8Å; R213-E236 IonicContact NE-OE1 3.75Å; R213-E236 PolarHBondContact NE-OE1 3.25Å; R213-E236 IonicContact NH2-OE1 3.61Å; R213-E236 PolarHBondContact NH2-OE1 3.5Å; R213-E236 IonicContact NH2-OE2 3.36Å; R213-E236 PolarHBondContact NH2-OE2 3.3Å; E232-E236 PolarHBondContact O-N 3.26Å; E233-E236 PolarHBondContact O-N 2.83Å; E236-F238 VanDerWaalsContact C-N 3.3Å; E236-F238 PolarHBondContact O-N 3.12Å; E236-I239 WeakPolarHBondContact O-CB 3.33Å; E236-I239 PolarHBondContact O-N 3.38Å; E236-I239 VanDerWaalsContact O-N 3.09Å; E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 2.94Å
237R97.5Very high97.7Very high45 Ų4546.1 Ų46.117%0.1723%0.225CC..Hα-helixtrans-63.5-33.9176.7-63.8-61-68.490.910.6113Y188 V189 E233 Y234 E240 A241 C346Y188-R237 PolarHBondContact O-NH2 2.99Å; V189-R237 HydrophobicContact CG2-CB 3.89Å; E233-R237 HydrophobicContact CG-CG 4.5Å; E233-R237 VanDerWaalsContact O-CG 3.27Å; E233-R237 WeakPolarHBondContact O-CG 3.49Å; E233-R237 PolarHBondContact O-N 3.35Å; Y234-R237 PolarHBondContact O-N 3.02Å; R237-E240 VanDerWaalsContact CD-OE2 3.28Å; R237-E240 WeakPolarHBondContact CD-OE2 3.4Å; R237-E240 IonicContact CZ-OE2 3.75Å; R237-E240 IonicContact NE-OE2 3.67Å; R237-E240 IonicContact NH1-OE2 2.93Å; R237-E240 PolarHBondContact NH1-OE2 3.28Å; R237-A241 WeakPolarHBondContact O-CB 3.25Å; R237-A241 PolarHBondContact O-N 2.75Å; R237-C346 PolarHBondContact NE-O 2.88Å; R237-C346 VanDerWaalsContact NH2-CB 3.35Å; R237-C346 PolarHBondContact NH2-O 3.44Å
238F98.3Very high97.7Very high0 Ų036.5 Ų36.50%018%0.183CC..Hα-helixtrans-64.9-43.1172.7-178.6-79.3000111.5R179 I182 L183 F204 P212 F215 L216 Y234 I235 E236 A241 E242R179-F238 HydrophobicContact CB-CZ 3.94Å; R179-F238 HydrophobicContact CG-CE1 4.33Å; R179-F238 HydrophobicContact CG-CZ 4.06Å; I182-F238 HydrophobicContact CB-CD2 4.33Å; I182-F238 HydrophobicContact CB-CE2 3.8Å; I182-F238 HydrophobicContact CB-CZ 4.24Å; I182-F238 HydrophobicContact CG2-CD2 3.47Å; I182-F238 VanDerWaalsContact CG2-CD2 3.47Å; I182-F238 HydrophobicContact CG2-CE2 3.45Å; I182-F238 VanDerWaalsContact CG2-CE2 3.45Å; I182-F238 HydrophobicContact CG2-CG 4.13Å; I182-F238 HydrophobicContact CG2-CZ 4.11Å; L183-F238 HydrophobicContact CB-CE2 3.97Å; F204-F238 HydrophobicContact CZ-CZ 4.15Å; P212-F238 HydrophobicContact CB-CD1 4.43Å; F215-F238 HydrophobicContact CE2-CE1 4.23Å; F215-F238 HydrophobicContact CE2-CZ 4.45Å; F215-F238 HydrophobicContact CZ-CE1 4.13Å; L216-F238 HydrophobicContact CD1-CB 3.88Å; L216-F238 HydrophobicContact CD1-CD1 3.81Å; L216-F238 HydrophobicContact CD1-CD2 4.45Å; L216-F238 HydrophobicContact CD1-CG 3.78Å; L216-F238 HydrophobicContact CD2-CD1 4.42Å; L216-F238 HydrophobicContact CD2-CD2 4.16Å; L216-F238 HydrophobicContact CD2-CE2 4.25Å; L216-F238 HydrophobicContact CD2-CG 4.26Å; L216-F238 HydrophobicContact CD2-CZ 4.43Å; Y234-F238 HydrophobicContact CE1-CB 4.47Å; Y234-F238 HydrophobicContact CE1-CD2 4.47Å; Y234-F238 WeakPolarHBondContact O-CB 3.49Å; Y234-F238 PolarHBondContact O-N 2.88Å; I235-F238 WeakPolarHBondContact O-CB 3.38Å; I235-F238 PolarHBondContact O-N 3.24Å; E236-F238 VanDerWaalsContact C-N 3.3Å; E236-F238 PolarHBondContact O-N 3.12Å; F238-A241 PolarHBondContact O-N 3.45Å; F238-E242 PolarHBondContact O-N 3.39Å
239I98Very high97.7Very high21 Ų2135.7 Ų35.711%0.10818%0.179CC..Hα-helixtrans-63-46.2177.7-69166.9000110.3P212 R213 I235 E236 A241 E242 N243P212-I239 HydrophobicContact CB-CD1 4.28Å; P212-I239 HydrophobicContact CB-CG1 3.87Å; P212-I239 HydrophobicContact CG-CD1 3.8Å; P212-I239 HydrophobicContact CG-CG1 3.55Å; R213-I239 HydrophobicContact CG-CD1 4.02Å; R213-I239 VanDerWaalsContact CZ-CD1 3.42Å; I235-I239 HydrophobicContact CG2-CD1 4.07Å; I235-I239 VanDerWaalsContact O-CG1 3.32Å; I235-I239 WeakPolarHBondContact O-CG1 3.36Å; I235-I239 PolarHBondContact O-N 2.84Å; E236-I239 WeakPolarHBondContact O-CB 3.33Å; E236-I239 PolarHBondContact O-N 3.38Å; E236-I239 VanDerWaalsContact O-N 3.09Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.24Å; I239-E242 PolarHBondContact O-N 3.17Å; I239-N243 WeakPolarHBondContact CG2-ND2 3.45Å; I239-N243 WeakPolarHBondContact O-CB 3.3Å; I239-N243 PolarHBondContact O-N 2.96Å; I239-N243 PolarHBondContact O-ND2 2.85Å
240E97.7Very high97.7Very high43 Ų4330.7 Ų30.720%0.20115%0.149CC..Hα-helixtrans-60.1-44.5175.6-66.8175.415500111.5E236 R237 E242 N243 T244 Y275 C346E236-E240 WeakPolarHBondContact O-CG 3.35Å; E236-E240 PolarHBondContact O-N 2.94Å; R237-E240 VanDerWaalsContact CD-OE2 3.28Å; R237-E240 WeakPolarHBondContact CD-OE2 3.4Å; R237-E240 IonicContact CZ-OE2 3.75Å; R237-E240 IonicContact NE-OE2 3.67Å; R237-E240 IonicContact NH1-OE2 2.93Å; R237-E240 PolarHBondContact NH1-OE2 3.28Å; E240-E242 PolarHBondContact O-N 3.39Å; E240-N243 CarbonylContact O-C 3.44Å; E240-N243 PolarHBondContact O-N 2.89Å; E240-T244 PolarHBondContact O-N 2.85Å; E240-T244 PolarHBondContact O-OG1 2.95Å; E240-T244 VanDerWaalsContact O-OG1 3.07Å; E240-Y275 HydrophobicContact CB-CD1 4.5Å; E240-Y275 HydrophobicContact CB-CD2 4.05Å; E240-Y275 HydrophobicContact CB-CE1 4.29Å; E240-Y275 HydrophobicContact CB-CE2 3.83Å; E240-Y275 HydrophobicContact CB-CG 4.39Å; E240-Y275 HydrophobicContact CG-CD1 4Å; E240-Y275 HydrophobicContact CG-CD2 4.42Å; E240-Y275 HydrophobicContact CG-CE1 3.66Å; E240-Y275 HydrophobicContact CG-CE2 4.12Å; E240-Y275 HydrophobicContact CG-CG 4.37Å; E240-Y275 WeakPolarHBondContact O-CE2 3.49Å; E240-C346 PolarHBondContact OE2-SG 3.03Å
241A97.6Very high97.6Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-60.7-43.3176.400000112.6I182 Y188 V189 R237 F238 I239 N243 T244 F245I182-A241 HydrophobicContact CG2-CB 3.8Å; Y188-A241 HydrophobicContact CD2-CB 4.35Å; Y188-A241 HydrophobicContact CG-CB 4.49Å; V189-A241 HydrophobicContact CB-CB 4.14Å; V189-A241 HydrophobicContact CG1-CB 3.63Å; R237-A241 WeakPolarHBondContact O-CB 3.25Å; R237-A241 PolarHBondContact O-N 2.75Å; F238-A241 PolarHBondContact O-N 3.45Å; I239-A241 VanDerWaalsContact C-N 3.34Å; I239-A241 PolarHBondContact O-N 3.24Å; A241-N243 VanDerWaalsContact C-N 3.34Å; A241-T244 PolarHBondContact O-N 3Å; A241-F245 VanDerWaalsContact O-CD2 3.28Å; A241-F245 WeakPolarHBondContact O-CD2 3.42Å; A241-F245 PolarHBondContact O-N 2.91Å; A241-F245 VanDerWaalsContact O-N 3.11Å
242E98.1Very high97.5Very high11 Ų1127 Ų275%0.05113%0.125CC..Hα-helixtrans-62.3-43.1174.3178.2159.9-141.800111.4R178 R179 I182 F238 I239 E240 T244 F245 L246R178-E242 IonicContact CZ-OE1 2.9Å; R178-E242 IonicContact NE-OE1 2.93Å; R178-E242 IonicContact NH2-OE1 3.92Å; R178-E242 PolarHBondContact NH2-OE1 3.48Å; R179-E242 VanDerWaalsContact CG-OE1 3.31Å; R179-E242 WeakPolarHBondContact CG-OE1 3.45Å; R179-E242 IonicContact CZ-OE1 2.63Å; R179-E242 IonicContact CZ-OE2 3.1Å; R179-E242 VanDerWaalsContact NE-CD 3.35Å; R179-E242 IonicContact NE-OE1 2.71Å; R179-E242 PolarHBondContact NE-OE1 2.92Å; R179-E242 IonicContact NE-OE2 3.84Å; R179-E242 PolarHBondContact NE-OE2 3.26Å; R179-E242 IonicContact NH2-OE1 2.76Å; R179-E242 IonicContact NH2-OE2 2.69Å; R179-E242 PolarHBondContact NH2-OE2 3.43Å; I182-E242 HydrophobicContact CD1-CB 3.76Å; I182-E242 HydrophobicContact CD1-CG 4.37Å; F238-E242 PolarHBondContact O-N 3.39Å; I239-E242 PolarHBondContact O-N 3.17Å; E240-E242 PolarHBondContact O-N 3.39Å; E242-T244 VanDerWaalsContact C-N 3.35Å; E242-T244 PolarHBondContact O-N 3.25Å; E242-F245 PolarHBondContact O-N 2.9Å; E242-L246 HydrophobicContact CG-CD1 3.96Å; E242-L246 WeakPolarHBondContact O-CG 3.5Å; E242-L246 PolarHBondContact O-N 3.5Å; E242-L246 VanDerWaalsContact O-N 3.13Å
243N97.8Very high97.2Very high28 Ų2822.7 Ų22.715%0.1511%0.106CC..Hα-helixtrans-64.9-36176.9-72.4-25.2000112.2I239 E240 A241 L246 Y247 F273 Y275I239-N243 WeakPolarHBondContact CG2-ND2 3.45Å; I239-N243 WeakPolarHBondContact O-CB 3.3Å; I239-N243 PolarHBondContact O-N 2.96Å; I239-N243 PolarHBondContact O-ND2 2.85Å; E240-N243 CarbonylContact O-C 3.44Å; E240-N243 PolarHBondContact O-N 2.89Å; A241-N243 VanDerWaalsContact C-N 3.34Å; N243-L246 PolarHBondContact O-N 2.97Å; N243-Y247 HydrophobicContact CB-CD2 4.05Å; N243-Y247 HydrophobicContact CB-CE2 4.42Å; N243-Y247 WeakPolarHBondContact O-CA 3.07Å; N243-Y247 WeakPolarHBondContact O-CB 3.36Å; N243-Y247 WeakPolarHBondContact O-CD2 3.24Å; N243-Y247 PolarHBondContact O-N 3.17Å; N243-F273 HydrophobicContact CB-CD1 3.9Å; N243-F273 HydrophobicContact CB-CE1 4.1Å; N243-Y275 HydrophobicContact CB-CE2 3.78Å; N243-Y275 WeakPolarHBondContact CB-OH 3.25Å; N243-Y275 PolarHBondContact ND2-OH 3.1Å
244T97.1Very high96.9Very high5 Ų520 Ų203%0.03110%0.096CC..Hα-helixtrans-63.4-48.3173.4-58.90000110.8Y188 E240 A241 E242 L246 Y247 Q248Y188-T244 HydrophobicContact CD1-CG2 4.12Å; Y188-T244 HydrophobicContact CD2-CG2 4.21Å; Y188-T244 HydrophobicContact CE1-CG2 3.78Å; Y188-T244 HydrophobicContact CE2-CG2 3.86Å; Y188-T244 HydrophobicContact CG-CG2 4.34Å; E240-T244 PolarHBondContact O-N 2.85Å; E240-T244 PolarHBondContact O-OG1 2.95Å; E240-T244 VanDerWaalsContact O-OG1 3.07Å; A241-T244 PolarHBondContact O-N 3Å; E242-T244 VanDerWaalsContact C-N 3.35Å; E242-T244 PolarHBondContact O-N 3.25Å; T244-L246 PolarHBondContact O-N 3.2Å; T244-L246 VanDerWaalsContact O-N 3.12Å; T244-Y247 PolarHBondContact O-N 3.16Å; T244-Q248 HydrophobicContact CG2-CB 4.31Å; T244-Q248 VanDerWaalsContact O-CB 3.24Å; T244-Q248 WeakPolarHBondContact O-CB 3.47Å; T244-Q248 PolarHBondContact O-N 2.82Å
245F97.6Very high96.6Very high1 Ų125.4 Ų25.40%0.00412%0.121CC..Hα-helixtrans-59.7-25.4175.5-83.9-70.2000113.8P137 F138 R178 I182 C186 Y188 A241 E242 L261P137-F245 HydrophobicContact CB-CD1 4.25Å; P137-F245 HydrophobicContact CB-CE1 3.96Å; P137-F245 HydrophobicContact CB-CZ 4.3Å; P137-F245 HydrophobicContact CG-CD1 4.34Å; P137-F245 HydrophobicContact CG-CE1 3.61Å; P137-F245 HydrophobicContact CG-CZ 3.94Å; F138-F245 AromaticContact CD1-CD1 3.81Å; F138-F245 HydrophobicContact CD1-CD1 3.81Å; F138-F245 WeakPolarHBondContact CD1-O 3.38Å; F138-F245 AromaticContact CD2-CD1 3.71Å; F138-F245 HydrophobicContact CD2-CD1 3.71Å; F138-F245 AromaticContact CD2-CE1 3.72Å; F138-F245 HydrophobicContact CD2-CE1 3.72Å; F138-F245 AromaticContact CE1-CD1 3.88Å; F138-F245 HydrophobicContact CE1-CD1 3.88Å; F138-F245 AromaticContact CE2-CD1 3.75Å; F138-F245 HydrophobicContact CE2-CD1 3.75Å; F138-F245 AromaticContact CE2-CE1 3.67Å; F138-F245 HydrophobicContact CE2-CE1 3.67Å; F138-F245 AromaticContact CG-CD1 3.74Å; F138-F245 HydrophobicContact CG-CD1 3.74Å; F138-F245 HydrophobicContact CG-CE1 4.2Å; F138-F245 AromaticContact CZ-CD1 3.85Å; F138-F245 HydrophobicContact CZ-CD1 3.85Å; F138-F245 HydrophobicContact CZ-CE1 4.17Å; R178-F245 HydrophobicContact CG-CB 4.39Å; R178-F245 HydrophobicContact CG-CG 4.46Å; I182-F245 HydrophobicContact CD1-CD2 3.8Å; I182-F245 HydrophobicContact CD1-CE2 4.28Å; I182-F245 HydrophobicContact CG1-CD2 3.72Å; I182-F245 HydrophobicContact CG1-CE2 3.66Å; C186-F245 HydrophobicContact CB-CE2 4.19Å; C186-F245 HydrophobicContact CB-CZ 4.26Å; Y188-F245 AromaticContact CD2-CD2 3.87Å; Y188-F245 HydrophobicContact CD2-CD2 3.87Å; Y188-F245 AromaticContact CD2-CE2 3.57Å; Y188-F245 HydrophobicContact CD2-CE2 3.57Å; Y188-F245 HydrophobicContact CD2-CZ 4.1Å; Y188-F245 HydrophobicContact CE2-CD1 4.24Å; Y188-F245 AromaticContact CE2-CD2 3.75Å; Y188-F245 HydrophobicContact CE2-CD2 3.75Å; Y188-F245 HydrophobicContact CE2-CE1 4Å; Y188-F245 AromaticContact CE2-CE2 3.5Å; Y188-F245 HydrophobicContact CE2-CE2 3.5Å; Y188-F245 HydrophobicContact CE2-CG 4.11Å; Y188-F245 AromaticContact CE2-CZ 3.63Å; Y188-F245 HydrophobicContact CE2-CZ 3.63Å; A241-F245 VanDerWaalsContact O-CD2 3.28Å; A241-F245 WeakPolarHBondContact O-CD2 3.42Å; A241-F245 PolarHBondContact O-N 2.91Å; A241-F245 VanDerWaalsContact O-N 3.11Å; E242-F245 PolarHBondContact O-N 2.9Å; F245-L261 WeakPolarHBondContact O-CD2 3.32Å
246L97.9Very high96.4Very high29 Ų2930.9 Ų30.915%0.15214%0.141CC..Hα-helixtrans-92.6-37.8-179.3-72.2172.6000113.1E242 N243 T244 N262E242-L246 HydrophobicContact CG-CD1 3.96Å; E242-L246 WeakPolarHBondContact O-CG 3.5Å; E242-L246 PolarHBondContact O-N 3.5Å; E242-L246 VanDerWaalsContact O-N 3.13Å; N243-L246 PolarHBondContact O-N 2.97Å; T244-L246 PolarHBondContact O-N 3.2Å; T244-L246 VanDerWaalsContact O-N 3.12Å; L246-N262 VanDerWaalsContact O-CB 3.27Å; L246-N262 WeakPolarHBondContact O-CB 3.46Å; L246-N262 PolarHBondContact O-N 2.96Å; L246-N262 PolarHBondContact O-ND2 3.33Å
247Y98Very high96.2Very high25 Ų2532 Ų3210%0.09814%0.143CC..Hα-helixtrans-128.811-162.5-49.1-54.1000114.1N243 T244 V249 N262 P263 Y264 P265 F273N243-Y247 HydrophobicContact CB-CD2 4.05Å; N243-Y247 HydrophobicContact CB-CE2 4.42Å; N243-Y247 WeakPolarHBondContact O-CA 3.07Å; N243-Y247 WeakPolarHBondContact O-CB 3.36Å; N243-Y247 WeakPolarHBondContact O-CD2 3.24Å; N243-Y247 PolarHBondContact O-N 3.17Å; T244-Y247 PolarHBondContact O-N 3.16Å; Y247-V249 PolarHBondContact O-N 2.83Å; Y247-N262 HydrophobicContact CD1-CB 4.43Å; Y247-N262 HydrophobicContact CE1-CB 4.41Å; Y247-P263 WeakPolarHBondContact CE1-O 3.45Å; Y247-Y264 AromaticContact CD1-CD1 3.88Å; Y247-Y264 HydrophobicContact CD1-CD1 3.88Å; Y247-Y264 HydrophobicContact CD1-CE1 4.29Å; Y247-Y264 HydrophobicContact CD2-CD1 4.5Å; Y247-Y264 HydrophobicContact CE1-CD1 4.45Å; Y247-Y264 AromaticContact CG-CD1 3.93Å; Y247-Y264 HydrophobicContact CG-CD1 3.93Å; Y247-Y264 HydrophobicContact CG-CE1 4.02Å; Y247-P265 WeakPolarHBondContact OH-CD 3.28Å; Y247-P265 VanDerWaalsContact OH-CG 3.28Å; Y247-P265 WeakPolarHBondContact OH-CG 3.45Å; Y247-F273 HydrophobicContact CD2-CD1 4.04Å; Y247-F273 HydrophobicContact CD2-CD2 4.46Å; Y247-F273 AromaticContact CD2-CE1 3.83Å; Y247-F273 HydrophobicContact CD2-CE1 3.83Å; Y247-F273 HydrophobicContact CD2-CE2 4.26Å; Y247-F273 HydrophobicContact CD2-CG 4.34Å; Y247-F273 AromaticContact CD2-CZ 3.94Å; Y247-F273 HydrophobicContact CD2-CZ 3.94Å; Y247-F273 HydrophobicContact CE2-CE1 4Å; Y247-F273 AromaticContact CE2-CZ 3.95Å; Y247-F273 HydrophobicContact CE2-CZ 3.95Å
248Q97.2Very high96.1Very high0 Ų030.1 Ų30.10%014%0.136CC..  trans-51.8133.2173.8-169.4171.747.800110.1E111 A114 T244 V250 L261 A276E111-Q248 PolarHBondContact OE2-NE2 3.35Å; A114-Q248 HydrophobicContact CB-CB 3.9Å; A114-Q248 HydrophobicContact CB-CG 4.09Å; T244-Q248 HydrophobicContact CG2-CB 4.31Å; T244-Q248 VanDerWaalsContact O-CB 3.24Å; T244-Q248 WeakPolarHBondContact O-CB 3.47Å; T244-Q248 PolarHBondContact O-N 2.82Å; Q248-V250 PolarHBondContact O-N 3.44Å; Q248-L261 PolarHBondContact O-N 3.29Å; Q248-A276 CarbonylContact C-O 3.58Å; Q248-A276 VanDerWaalsContact CA-O 3.26Å; Q248-A276 WeakPolarHBondContact CA-O 3.41Å
249V96.6Very high96Very high2 Ų231.1 Ų31.11%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-65.5131.3-178.7173.80000109.1P109 Y110 Y247 Q258 V259 A276 G277P109-V249 HydrophobicContact CG-CG1 4.16Å; P109-V249 VanDerWaalsContact CG-O 3.3Å; P109-V249 WeakPolarHBondContact CG-O 3.12Å; Y110-V249 HydrophobicContact CD2-CB 3.87Å; Y110-V249 HydrophobicContact CD2-CG1 4.33Å; Y110-V249 HydrophobicContact CE2-CB 3.74Å; Y110-V249 HydrophobicContact CE2-CG1 4.01Å; Y110-V249 HydrophobicContact CE2-CG2 4.45Å; Y247-V249 PolarHBondContact O-N 2.83Å; V249-Q258 HydrophobicContact CG1-CB 3.74Å; V249-Q258 HydrophobicContact CG1-CG 3.95Å; V249-V259 WeakPolarHBondContact CA-O 3.28Å; V249-A276 PolarHBondContact N-O 3.46Å; V249-G277 WeakPolarHBondContact CG2-O 3.36Å
250V97.2Very high96Very high1 Ų131.2 Ų31.21%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-127.4166.8176.2-62.20000109.1A114 F118 Q248 Q258 V259 L261A114-V250 VanDerWaalsContact C-CG1 3.49Å; A114-V250 HydrophobicContact CB-CG1 3.64Å; F118-V250 HydrophobicContact CB-CB 4.24Å; F118-V250 HydrophobicContact CB-CG1 4.26Å; F118-V250 HydrophobicContact CB-CG2 3.9Å; F118-V250 HydrophobicContact CD1-CG2 4.38Å; F118-V250 HydrophobicContact CD2-CG2 3.56Å; F118-V250 HydrophobicContact CE2-CG2 4.14Å; F118-V250 HydrophobicContact CG-CB 4.42Å; F118-V250 HydrophobicContact CG-CG2 3.68Å; Q248-V250 PolarHBondContact O-N 3.44Å; V250-Q258 CarbonylContact O-C 3.51Å; V250-Q258 WeakPolarHBondContact O-CA 3.43Å; V250-V259 HydrophobicContact CG2-CG2 3.82Å; V250-V259 WeakPolarHBondContact CG2-O 3.4Å; V250-V259 PolarHBondContact N-O 3.03Å; V250-V259 PolarHBondContact O-N 3.41Å; V250-V259 VanDerWaalsContact O-O 3.09Å; V250-L261 HydrophobicContact CG1-CB 4.31Å
251F96.4Very high96Very high3 Ų329.2 Ų29.21%0.01314%0.135CC..EExtended strand (participates in β ladder)trans-98.8126.6172.3-174.8-98.3000110.2L106 Q115 P253 R256 Q258 A285 V286 A289L106-F251 HydrophobicContact CD1-CD1 3.79Å; L106-F251 HydrophobicContact CD1-CE1 4.32Å; Q115-F251 PolarHBondContact NE2-O 2.89Å; Q115-F251 PolarHBondContact OE1-O 2.84Å; F251-P253 HydrophobicContact CE1-CB 4.46Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å; F251-R256 HydrophobicContact CZ-CB 4.29Å; F251-Q258 HydrophobicContact CD2-CG 4.43Å; F251-A285 HydrophobicContact CD2-CB 4.31Å; F251-A285 HydrophobicContact CE2-CB 4.21Å; F251-V286 HydrophobicContact CE2-CG2 4.22Å; F251-V286 HydrophobicContact CZ-CG2 4.21Å; F251-A289 HydrophobicContact CB-CB 4.41Å; F251-A289 HydrophobicContact CD1-CB 3.63Å; F251-A289 HydrophobicContact CD2-CB 3.77Å; F251-A289 HydrophobicContact CE1-CB 3.64Å; F251-A289 HydrophobicContact CE2-CB 3.8Å; F251-A289 HydrophobicContact CG-CB 3.67Å; F251-A289 HydrophobicContact CZ-CB 3.72Å
252D95.9Very high96Very high10 Ų1031.1 Ų31.15%0.05315%0.145CC..EExtended strand (participates in β ladder)trans-89.1109.6171.9-176.4-30.6000108.5F118 D254 K255 R256 Y257 V259F118-D252 HydrophobicContact CE1-CB 4.14Å; F118-D252 HydrophobicContact CZ-CB 3.84Å; D252-D254 VanDerWaalsContact C-N 3.29Å; D252-D254 PolarHBondContact O-N 3.18Å; D252-D254 WeakPolarHBondContact OD1-CB 3.35Å; D252-D254 PolarHBondContact OD1-N 2.73Å; D252-K255 HydrophobicContact CB-CB 4.08Å; D252-K255 HydrophobicContact CB-CG 4.48Å; D252-K255 PolarHBondContact O-N 3.31Å; D252-K255 PolarHBondContact OD1-N 2.78Å; D252-K255 WeakPolarHBondContact OD2-CD 3.39Å; D252-K255 WeakPolarHBondContact OD2-CE 3.42Å; D252-K255 WeakPolarHBondContact OD2-CG 3.49Å; D252-K255 IonicContact OD2-NZ 3.37Å; D252-R256 WeakPolarHBondContact O-CA 3.12Å; D252-R256 PolarHBondContact O-N 3.22Å; D252-Y257 PolarHBondContact N-O 3.46Å; D252-Y257 PolarHBondContact O-N 2.81Å; D252-V259 HydrophobicContact CB-CG1 4.19Å; D252-V259 HydrophobicContact CB-CG2 3.86Å
253P91.4Very high95.9Very high12 Ų1235.2 Ų35.28%0.07817%0.173CC..THydrogen-bonded Turntrans-68.4-26.7-176.427.9-33.9000113.3L119 L124 F251 R256 P313L119-P253 HydrophobicContact CD2-CG 4.19Å; L124-P253 HydrophobicContact CD1-CG 3.75Å; F251-P253 HydrophobicContact CE1-CB 4.46Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å; P253-R256 WeakPolarHBondContact O-CG 3.22Å; P253-P313 HydrophobicContact CB-CG 4.18Å
254D90.4Very high95.9Very high89 Ų8936.4 Ų36.448%0.47618%0.175SC..THydrogen-bonded Turntrans-75-45.1177.5-70.9-40.2000110.5D252 R256D252-D254 VanDerWaalsContact C-N 3.29Å; D252-D254 PolarHBondContact O-N 3.18Å; D252-D254 WeakPolarHBondContact OD1-CB 3.35Å; D252-D254 PolarHBondContact OD1-N 2.73Å; D254-R256 VanDerWaalsContact C-N 3.34Å
255K92.5Very high95.8Very high138 Ų13839.1 Ų39.160%0.619%0.193SC*.THydrogen-bonded Turntrans-80.2-16178.1-63.3-178.2-169.4167.90113.7D252 Y257D252-K255 HydrophobicContact CB-CB 4.08Å; D252-K255 HydrophobicContact CB-CG 4.48Å; D252-K255 PolarHBondContact O-N 3.31Å; D252-K255 PolarHBondContact OD1-N 2.78Å; D252-K255 WeakPolarHBondContact OD2-CD 3.39Å; D252-K255 WeakPolarHBondContact OD2-CE 3.42Å; D252-K255 WeakPolarHBondContact OD2-CG 3.49Å; D252-K255 IonicContact OD2-NZ 3.37Å; K255-Y257 PolarHBondContact O-N 3.03Å
256R93Very high95.7Very high115 Ų11547.2 Ų47.243%0.43424%0.237SC..THydrogen-bonded Turntrans54.743.1-176.3-58.9168.491.6164.3-5.2111.6F251 D252 P253 D254 V286 F312F251-R256 HydrophobicContact CZ-CB 4.29Å; D252-R256 WeakPolarHBondContact O-CA 3.12Å; D252-R256 PolarHBondContact O-N 3.22Å; P253-R256 WeakPolarHBondContact O-CG 3.22Å; D254-R256 VanDerWaalsContact C-N 3.34Å; R256-V286 HydrophobicContact CB-CG2 3.98Å; R256-V286 VanDerWaalsContact O-CG2 3.25Å; R256-V286 WeakPolarHBondContact O-CG2 3.41Å; R256-F312 HydrophobicContact CG-CD1 4.15Å; R256-F312 VanDerWaalsContact CZ-CD2 3.44Å; R256-F312 VanDerWaalsContact CZ-CG 3.47Å; R256-F312 VanDerWaalsContact NH2-CG 3.29Å
257Y93.6Very high95.6Very high95 Ų9550 Ų5037%0.37327%0.273SS..EExtended strand (participates in β ladder)trans-150.3157.2-176.2-164.4-110.4000111.5D252 K255 A282D252-Y257 PolarHBondContact N-O 3.46Å; D252-Y257 PolarHBondContact O-N 2.81Å; K255-Y257 PolarHBondContact O-N 3.03Å; Y257-A282 HydrophobicContact CD2-CB 3.56Å; Y257-A282 HydrophobicContact CE2-CB 3.73Å
258Q95.6Very high95.4Very high4 Ų451.5 Ų51.52%0.01928%0.284CS..EExtended strand (participates in β ladder)trans-78135.3175.1-80.1166.9-6.600111.1P109 V249 V250 F251 N279 A285P109-Q258 HydrophobicContact CB-CG 4.19Å; P109-Q258 VanDerWaalsContact CB-NE2 3.26Å; P109-Q258 HydrophobicContact CG-CG 4.39Å; V249-Q258 HydrophobicContact CG1-CB 3.74Å; V249-Q258 HydrophobicContact CG1-CG 3.95Å; V250-Q258 CarbonylContact O-C 3.51Å; V250-Q258 WeakPolarHBondContact O-CA 3.43Å; F251-Q258 HydrophobicContact CD2-CG 4.43Å; Q258-N279 HydrophobicContact CB-CB 4.43Å; Q258-N279 PolarHBondContact O-ND2 3.36Å; Q258-N279 VanDerWaalsContact OE1-CA 3.27Å; Q258-A285 HydrophobicContact CG-CB 3.85Å
259V96.5Very high95.2Very high22 Ų2255.5 Ų55.513%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-139.1158.7-179-610000109.3F118 V249 V250 D252F118-V259 HydrophobicContact CE2-CG2 3.84Å; F118-V259 HydrophobicContact CZ-CG2 4.13Å; V249-V259 WeakPolarHBondContact CA-O 3.28Å; V250-V259 HydrophobicContact CG2-CG2 3.82Å; V250-V259 WeakPolarHBondContact CG2-O 3.4Å; V250-V259 PolarHBondContact N-O 3.03Å; V250-V259 PolarHBondContact O-N 3.41Å; V250-V259 VanDerWaalsContact O-O 3.09Å; D252-V259 HydrophobicContact CB-CG1 4.19Å; D252-V259 HydrophobicContact CB-CG2 3.86Å
260P97.4Very high94.9Very high23 Ų2357.8 Ų57.815%0.14932%0.322CS..EExtended strand (participates in β ladder)trans-68.8149.5168.231.9-37.6000110.7N262 Y264P260-N262 VanDerWaalsContact C-N 3.31Å; P260-N262 VanDerWaalsContact CB-O 3.29Å; P260-N262 WeakPolarHBondContact CB-O 3.31Å; P260-N262 WeakPolarHBondContact CG-O 3.28Å; P260-N262 PolarHBondContact O-N 3.31Å; P260-Y264 HydrophobicContact CB-CD1 4.37Å; P260-Y264 HydrophobicContact CB-CE1 3.77Å; P260-Y264 HydrophobicContact CB-CE2 4.07Å; P260-Y264 HydrophobicContact CG-CD1 4.48Å; P260-Y264 HydrophobicContact CG-CD2 4.02Å; P260-Y264 HydrophobicContact CG-CE1 4.16Å; P260-Y264 HydrophobicContact CG-CE2 3.63Å; P260-Y264 HydrophobicContact CG-CG 4.41Å
261L97.9Very high94.7Very high1 Ų162 Ų621%0.00535%0.351CS..SBendtrans-50.3-50.5175.9172.260.1000112.1A114 C117 F118 F138 F245 Q248 V250A114-L261 HydrophobicContact CB-CD2 4.26Å; A114-L261 WeakPolarHBondContact O-CD1 3.21Å; C117-L261 HydrophobicContact CB-CD1 4.03Å; C117-L261 HydrophobicContact CB-CD2 4.32Å; F118-L261 HydrophobicContact CB-CD1 3.66Å; F118-L261 HydrophobicContact CD2-CD1 4.43Å; F138-L261 HydrophobicContact CD1-CD2 3.52Å; F138-L261 HydrophobicContact CE1-CD2 4.08Å; F245-L261 WeakPolarHBondContact O-CD2 3.32Å; Q248-L261 PolarHBondContact O-N 3.29Å; V250-L261 HydrophobicContact CG1-CB 4.31Å
262N97.7Very high94.6Very high40 Ų4064.2 Ų64.221%0.21437%0.367CS..SBendtrans-113.7151.2171.3-60.5-83.2000110.6L246 Y247 P260 Y264L246-N262 VanDerWaalsContact O-CB 3.27Å; L246-N262 WeakPolarHBondContact O-CB 3.46Å; L246-N262 PolarHBondContact O-N 2.96Å; L246-N262 PolarHBondContact O-ND2 3.33Å; Y247-N262 HydrophobicContact CD1-CB 4.43Å; Y247-N262 HydrophobicContact CE1-CB 4.41Å; P260-N262 VanDerWaalsContact C-N 3.31Å; P260-N262 VanDerWaalsContact CB-O 3.29Å; P260-N262 WeakPolarHBondContact CB-O 3.31Å; P260-N262 WeakPolarHBondContact CG-O 3.28Å; P260-N262 PolarHBondContact O-N 3.31Å; N262-Y264 PolarHBondContact O-N 3.43Å
263P96.7Very high94.6Very high97 Ų9764.4 Ų64.463%0.6337%0.367SS*.PPolyproline II helixtrans-53.2138.6171.2-24.334.3000111.9Y247Y247-P263 WeakPolarHBondContact CE1-O 3.45Å
264Y96.8Very high94.6Very high52 Ų5266 Ų6620%0.20438%0.377CS..PPolyproline II helixtrans-64.4151.4174.1-62.3-58.3000111.2Y247 P260 N262 S270 F273Y247-Y264 AromaticContact CD1-CD1 3.88Å; Y247-Y264 HydrophobicContact CD1-CD1 3.88Å; Y247-Y264 HydrophobicContact CD1-CE1 4.29Å; Y247-Y264 HydrophobicContact CD2-CD1 4.5Å; Y247-Y264 HydrophobicContact CE1-CD1 4.45Å; Y247-Y264 AromaticContact CG-CD1 3.93Å; Y247-Y264 HydrophobicContact CG-CD1 3.93Å; Y247-Y264 HydrophobicContact CG-CE1 4.02Å; P260-Y264 HydrophobicContact CB-CD1 4.37Å; P260-Y264 HydrophobicContact CB-CE1 3.77Å; P260-Y264 HydrophobicContact CB-CE2 4.07Å; P260-Y264 HydrophobicContact CG-CD1 4.48Å; P260-Y264 HydrophobicContact CG-CD2 4.02Å; P260-Y264 HydrophobicContact CG-CE1 4.16Å; P260-Y264 HydrophobicContact CG-CE2 3.63Å; P260-Y264 HydrophobicContact CG-CG 4.41Å; N262-Y264 PolarHBondContact O-N 3.43Å; Y264-S270 WeakPolarHBondContact OH-CA 3.34Å; Y264-S270 WeakPolarHBondContact OH-CB 3.2Å; Y264-F273 AromaticContact CD1-CD2 3.6Å; Y264-F273 HydrophobicContact CD1-CD2 3.6Å; Y264-F273 AromaticContact CD1-CE2 3.42Å; Y264-F273 HydrophobicContact CD1-CE2 3.42Å; Y264-F273 VanDerWaalsContact CD1-CE2 3.42Å; Y264-F273 HydrophobicContact CD1-CZ 4.43Å; Y264-F273 AromaticContact CE1-CD2 3.37Å; Y264-F273 HydrophobicContact CE1-CD2 3.37Å; Y264-F273 AromaticContact CE1-CE2 3.74Å; Y264-F273 HydrophobicContact CE1-CE2 3.74Å; Y264-F273 HydrophobicContact CE1-CG 4.3Å; Y264-F273 HydrophobicContact CG-CE2 4.26Å
265P94.8Very high94.7Very high63 Ų6363 Ų6341%0.40936%0.36SS..PPolyproline II helixtrans-60.2161.3166.9-20.632.6000112Y247 G267 V268Y247-P265 WeakPolarHBondContact OH-CD 3.28Å; Y247-P265 VanDerWaalsContact OH-CG 3.28Å; Y247-P265 WeakPolarHBondContact OH-CG 3.45Å; P265-G267 PolarHBondContact O-N 3.34Å; P265-V268 HydrophobicContact CB-CG2 4.04Å; P265-V268 HydrophobicContact CG-CG2 4.18Å; P265-V268 VanDerWaalsContact O-CG2 3.23Å; P265-V268 WeakPolarHBondContact O-CG2 3.4Å; P265-V268 PolarHBondContact O-N 2.97Å
266D95.3Very high94.7Very high170 Ų17056.5 Ų56.591%0.90933%0.332SS*.THydrogen-bonded Turntrans-59.3137.7175.4-64.9-33.4000111.6
267G95.5Very high94.6Very high88 Ų8851.2 Ų51.291%0.90731%0.313SS*.THydrogen-bonded Turntrans83.81.917500000115.9P265P265-G267 PolarHBondContact O-N 3.34Å
268V94.5Very high94.5Very high56 Ų5653.8 Ų53.834%0.33932%0.322SS..  trans-125.4157.3174-66.10000111.4P265 F273P265-V268 HydrophobicContact CB-CG2 4.04Å; P265-V268 HydrophobicContact CG-CG2 4.18Å; P265-V268 VanDerWaalsContact O-CG2 3.23Å; P265-V268 WeakPolarHBondContact O-CG2 3.4Å; P265-V268 PolarHBondContact O-N 2.97Å; V268-F273 HydrophobicContact CB-CE2 4.09Å; V268-F273 HydrophobicContact CB-CZ 4.32Å; V268-F273 HydrophobicContact CG2-CE2 3.85Å; V268-F273 HydrophobicContact CG2-CZ 3.93Å
269D93.7Very high94.3Very high85 Ų8556.1 Ų56.146%0.45534%0.335SS..  trans-139.4-173.6178.967.830000111.2S271 S272 F273D269-S271 PolarHBondContact O-N 3.41Å; D269-S271 VanDerWaalsContact O-N 3.09Å; D269-S271 WeakPolarHBondContact OD1-CA 3.32Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 3.37Å; D269-S271 PolarHBondContact OD1-N 3.33Å; D269-S271 PolarHBondContact OD1-OG 2.98Å; D269-S272 VanDerWaalsContact O-CB 3.26Å; D269-S272 WeakPolarHBondContact O-CB 3.36Å; D269-S272 PolarHBondContact O-N 2.82Å; D269-S272 PolarHBondContact O-OG 2.93Å; D269-F273 WeakPolarHBondContact O-CD2 3.4Å
270S90.9Very high94Very high50 Ų5056.4 Ų56.435%0.3534%0.338SS..G310 helixtrans-54.7-28.9-179.863.70000114.6Y264 S272 F273Y264-S270 WeakPolarHBondContact OH-CA 3.34Å; Y264-S270 WeakPolarHBondContact OH-CB 3.2Å; S270-S272 PolarHBondContact O-N 3.43Å; S270-F273 PolarHBondContact O-N 3.27Å
271S92.7Very high93.7Very high89 Ų8963.3 Ų63.362%0.62237%0.365SS*.G310 helixtrans-69.8-20.4178.674.30000112.8D269 F273D269-S271 PolarHBondContact O-N 3.41Å; D269-S271 VanDerWaalsContact O-N 3.09Å; D269-S271 WeakPolarHBondContact OD1-CA 3.32Å; D269-S271 VanDerWaalsContact OD1-CB 3.22Å; D269-S271 WeakPolarHBondContact OD1-CB 3.37Å; D269-S271 PolarHBondContact OD1-N 3.33Å; D269-S271 PolarHBondContact OD1-OG 2.98Å; S271-F273 VanDerWaalsContact C-N 3.28Å
272S94.5Very high93.4Very high50 Ų5065.5 Ų65.535%0.3538%0.384SS..G310 helixtrans-76-16.1176-54.80000112.8D269 S270 P274D269-S272 VanDerWaalsContact O-CB 3.26Å; D269-S272 WeakPolarHBondContact O-CB 3.36Å; D269-S272 PolarHBondContact O-N 2.82Å; D269-S272 PolarHBondContact O-OG 2.93Å; S270-S272 PolarHBondContact O-N 3.43Å; S272-P274 VanDerWaalsContact C-CD 3.44Å
273F94.6Very high93.2Very high13 Ų1371.1 Ų71.16%0.05741%0.408CS..  trans-129.452.7-174.6-50.2-76.4000112.4N243 Y247 Y264 V268 D269 S270 S271 Y275 A276N243-F273 HydrophobicContact CB-CD1 3.9Å; N243-F273 HydrophobicContact CB-CE1 4.1Å; Y247-F273 HydrophobicContact CD2-CD1 4.04Å; Y247-F273 HydrophobicContact CD2-CD2 4.46Å; Y247-F273 AromaticContact CD2-CE1 3.83Å; Y247-F273 HydrophobicContact CD2-CE1 3.83Å; Y247-F273 HydrophobicContact CD2-CE2 4.26Å; Y247-F273 HydrophobicContact CD2-CG 4.34Å; Y247-F273 AromaticContact CD2-CZ 3.94Å; Y247-F273 HydrophobicContact CD2-CZ 3.94Å; Y247-F273 HydrophobicContact CE2-CE1 4Å; Y247-F273 AromaticContact CE2-CZ 3.95Å; Y247-F273 HydrophobicContact CE2-CZ 3.95Å; Y264-F273 AromaticContact CD1-CD2 3.6Å; Y264-F273 HydrophobicContact CD1-CD2 3.6Å; Y264-F273 AromaticContact CD1-CE2 3.42Å; Y264-F273 HydrophobicContact CD1-CE2 3.42Å; Y264-F273 VanDerWaalsContact CD1-CE2 3.42Å; Y264-F273 HydrophobicContact CD1-CZ 4.43Å; Y264-F273 AromaticContact CE1-CD2 3.37Å; Y264-F273 HydrophobicContact CE1-CD2 3.37Å; Y264-F273 AromaticContact CE1-CE2 3.74Å; Y264-F273 HydrophobicContact CE1-CE2 3.74Å; Y264-F273 HydrophobicContact CE1-CG 4.3Å; Y264-F273 HydrophobicContact CG-CE2 4.26Å; V268-F273 HydrophobicContact CB-CE2 4.09Å; V268-F273 HydrophobicContact CB-CZ 4.32Å; V268-F273 HydrophobicContact CG2-CE2 3.85Å; V268-F273 HydrophobicContact CG2-CZ 3.93Å; D269-F273 WeakPolarHBondContact O-CD2 3.4Å; S270-F273 PolarHBondContact O-N 3.27Å; S271-F273 VanDerWaalsContact C-N 3.28Å; F273-Y275 HydrophobicContact CD1-CE2 4.48Å; F273-Y275 WeakPolarHBondContact CD1-OH 3.36Å; F273-Y275 PolarHBondContact O-N 3.49Å; F273-Y275 VanDerWaalsContact O-N 3.1Å; F273-A276 HydrophobicContact CB-CB 3.97Å; F273-A276 WeakPolarHBondContact O-CB 3.33Å; F273-A276 PolarHBondContact O-N 2.97Å
274P92.6Very high92.9Very high45 Ų4568 Ų6829%0.29239%0.388SS..G310 helixtrans-62-26.7-173.927.4-35.4000113S272 A276 G277S272-P274 VanDerWaalsContact C-CD 3.44Å; P274-A276 VanDerWaalsContact C-N 3.27Å; P274-A276 PolarHBondContact O-N 3.38Å; P274-G277 PolarHBondContact O-N 3.08Å
275Y91Very high92.7Very high27 Ų2765.6 Ų65.611%0.10638%0.378CS..G310 helixtrans-78.2-3.7175.654.9-103.5000113.8E240 N243 F273 V344E240-Y275 HydrophobicContact CB-CD1 4.5Å; E240-Y275 HydrophobicContact CB-CD2 4.05Å; E240-Y275 HydrophobicContact CB-CE1 4.29Å; E240-Y275 HydrophobicContact CB-CE2 3.83Å; E240-Y275 HydrophobicContact CB-CG 4.39Å; E240-Y275 HydrophobicContact CG-CD1 4Å; E240-Y275 HydrophobicContact CG-CD2 4.42Å; E240-Y275 HydrophobicContact CG-CE1 3.66Å; E240-Y275 HydrophobicContact CG-CE2 4.12Å; E240-Y275 HydrophobicContact CG-CG 4.37Å; E240-Y275 WeakPolarHBondContact O-CE2 3.49Å; N243-Y275 HydrophobicContact CB-CE2 3.78Å; N243-Y275 WeakPolarHBondContact CB-OH 3.25Å; N243-Y275 PolarHBondContact ND2-OH 3.1Å; F273-Y275 HydrophobicContact CD1-CE2 4.48Å; F273-Y275 WeakPolarHBondContact CD1-OH 3.36Å; F273-Y275 PolarHBondContact O-N 3.49Å; F273-Y275 VanDerWaalsContact O-N 3.1Å; Y275-V344 WeakPolarHBondContact O-CG1 3.01Å
276A93.9Very high92.6Very high1 Ų164 Ų641%0.00837%0.367CS..G310 helixtrans-99.76.117300000111.8Q248 V249 F273 P274Q248-A276 CarbonylContact C-O 3.58Å; Q248-A276 VanDerWaalsContact CA-O 3.26Å; Q248-A276 WeakPolarHBondContact CA-O 3.41Å; V249-A276 PolarHBondContact N-O 3.46Å; F273-A276 HydrophobicContact CB-CB 3.97Å; F273-A276 WeakPolarHBondContact O-CB 3.33Å; F273-A276 PolarHBondContact O-N 2.97Å; P274-A276 VanDerWaalsContact C-N 3.27Å; P274-A276 PolarHBondContact O-N 3.38Å
277G91.2Very high92.5Very high4 Ų458.4 Ų58.44%0.04134%0.337CS..  trans104.7153.9-178.300000112.6Y110 V249 P274Y110-G277 VanDerWaalsContact CZ-CA 3.49Å; V249-G277 WeakPolarHBondContact CG2-O 3.36Å; P274-G277 PolarHBondContact O-N 3.08Å
278R90.5Very high92.3Very high149 Ų14954.5 Ų54.556%0.56230%0.296SS*.  trans-113.8143.3177.1-61.9-177.2-174.8-170.10.4110.7Y110Y110-R278 PolarHBondContact OH-N 3.19Å; Y110-R278 PolarHBondContact OH-O 2.94Å
279N91.2Very high92.2Very high53 Ų5352 Ų5228%0.28328%0.281SS..PPolyproline II helixtrans-74.2135.6175-67.439000110.7Q258Q258-N279 HydrophobicContact CB-CB 4.43Å; Q258-N279 PolarHBondContact O-ND2 3.36Å; Q258-N279 VanDerWaalsContact OE1-CA 3.27Å
280S90Very high92.1Very high28 Ų2849.2 Ų49.220%0.19627%0.269CS..PPolyproline II helixtrans-86.7167.2167.7-63.30000110.6
281K92Very high92Very high169 Ų16946.8 Ų46.874%0.73525%0.253SS*.PPolyproline II helixtrans-55.6147.4166.1-66.1-176.6179.1-178.90109.9E283 V284 A285K281-E283 VanDerWaalsContact C-N 3.33Å; K281-E283 PolarHBondContact O-N 3.37Å; K281-V284 HydrophobicContact CB-CG2 4.3Å; K281-V284 WeakPolarHBondContact O-CA 3.46Å; K281-V284 WeakPolarHBondContact O-CB 3.33Å; K281-V284 PolarHBondContact O-N 2.82Å; K281-A285 PolarHBondContact O-N 2.8Å
282A92.1Very high91.9Very high47 Ų4745.6 Ų45.639%0.38824%0.235SC..Hα-helixtrans-52.9-47.7-175.100000112.9Y257 V284 A285 V286Y257-A282 HydrophobicContact CD2-CB 3.56Å; Y257-A282 HydrophobicContact CE2-CB 3.73Å; A282-V284 VanDerWaalsContact C-N 3.31Å; A282-V284 PolarHBondContact O-N 2.99Å; A282-A285 WeakPolarHBondContact O-CB 3.26Å; A282-A285 PolarHBondContact O-N 2.77Å; A282-V286 WeakPolarHBondContact O-CB 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.31Å; A282-V286 PolarHBondContact O-N 2.94Å
283E92.3Very high91.6Very high157 Ų15743.8 Ų43.873%0.73422%0.221SC*.Hα-helixtrans-59.2-40.4178.1-64.1170.2-170.600112.6K281 V286 L287K281-E283 VanDerWaalsContact C-N 3.33Å; K281-E283 PolarHBondContact O-N 3.37Å; E283-V286 PolarHBondContact O-N 2.75Å; E283-L287 VanDerWaalsContact O-CG 3.29Å; E283-L287 WeakPolarHBondContact O-CG 3.31Å; E283-L287 PolarHBondContact O-N 2.92Å
284V91.9Very high91.3Very high33 Ų3344.1 Ų44.120%0.222%0.223CC..Hα-helixtrans-67.9-46.3177.4172.30000110.4K281 A282 V286 L287 L288 M293 M298K281-V284 HydrophobicContact CB-CG2 4.3Å; K281-V284 WeakPolarHBondContact O-CA 3.46Å; K281-V284 WeakPolarHBondContact O-CB 3.33Å; K281-V284 PolarHBondContact O-N 2.82Å; A282-V284 VanDerWaalsContact C-N 3.31Å; A282-V284 PolarHBondContact O-N 2.99Å; V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 PolarHBondContact O-N 2.96Å; V284-L287 PolarHBondContact O-N 3.46Å; V284-L287 VanDerWaalsContact O-N 3.17Å; V284-L288 HydrophobicContact CG1-CD1 3.85Å; V284-L288 HydrophobicContact CG1-CG 4.27Å; V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 3.34Å; V284-M293 HydrophobicContact CG1-SD 3.81Å; V284-M298 HydrophobicContact CG1-CE 3.64Å
285A92Very high90.9Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-56.9-42.2177.100000111.7F251 Q258 K281 A282 A289F251-A285 HydrophobicContact CD2-CB 4.31Å; F251-A285 HydrophobicContact CE2-CB 4.21Å; Q258-A285 HydrophobicContact CG-CB 3.85Å; K281-A285 PolarHBondContact O-N 2.8Å; A282-A285 WeakPolarHBondContact O-CB 3.26Å; A282-A285 PolarHBondContact O-N 2.77Å; A285-A289 VanDerWaalsContact O-CB 3.25Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 2.77Å
286V93.1Very high90.4Very high30 Ų3044.4 Ų44.418%0.18222%0.222CC..Hα-helixtrans-64.1-44.1177168.60000111.8F251 R256 A282 E283 V284 A290 F312F251-V286 HydrophobicContact CE2-CG2 4.22Å; F251-V286 HydrophobicContact CZ-CG2 4.21Å; R256-V286 HydrophobicContact CB-CG2 3.98Å; R256-V286 VanDerWaalsContact O-CG2 3.25Å; R256-V286 WeakPolarHBondContact O-CG2 3.41Å; A282-V286 WeakPolarHBondContact O-CB 3.24Å; A282-V286 WeakPolarHBondContact O-CG2 3.31Å; A282-V286 PolarHBondContact O-N 2.94Å; E283-V286 PolarHBondContact O-N 2.75Å; V284-V286 VanDerWaalsContact C-N 3.26Å; V284-V286 PolarHBondContact O-N 2.96Å; V286-A290 WeakPolarHBondContact O-CB 3.25Å; V286-A290 PolarHBondContact O-N 2.71Å; V286-A290 VanDerWaalsContact O-N 3.12Å; V286-F312 HydrophobicContact CB-CZ 4.5Å; V286-F312 HydrophobicContact CG1-CE1 3.71Å; V286-F312 HydrophobicContact CG1-CE2 4.24Å; V286-F312 HydrophobicContact CG1-CZ 3.25Å
287L92.2Very high89.8Confident52 Ų5247.7 Ų47.727%0.27224%0.244SC..Hα-helixtrans-68.3-40.5178.1-70.6172.3000112.5E283 V284 G291 R292 M293E283-L287 VanDerWaalsContact O-CG 3.29Å; E283-L287 WeakPolarHBondContact O-CG 3.31Å; E283-L287 PolarHBondContact O-N 2.92Å; V284-L287 PolarHBondContact O-N 3.46Å; V284-L287 VanDerWaalsContact O-N 3.17Å; L287-G291 PolarHBondContact O-N 2.78Å; L287-R292 HydrophobicContact CD2-CB 4.04Å; L287-R292 WeakPolarHBondContact O-CA 3.43Å; L287-R292 PolarHBondContact O-N 3Å; L287-M293 HydrophobicContact CB-CB 3.91Å; L287-M293 HydrophobicContact CB-CE 4.32Å; L287-M293 HydrophobicContact CD1-CE 3.79Å; L287-M293 PolarHBondContact O-N 3.4Å
288L91.5Very high89.5Confident7 Ų751.2 Ų51.24%0.03726%0.26CS..Hα-helixtrans-60.4-53.4174.1-72.4170.5000110.1V107 V284 A290 G291 M293 P295V107-L288 WeakPolarHBondContact CB-O 3.32Å; V284-L288 HydrophobicContact CG1-CD1 3.85Å; V284-L288 HydrophobicContact CG1-CG 4.27Å; V284-L288 WeakPolarHBondContact O-CB 3.34Å; V284-L288 WeakPolarHBondContact O-CG 3.46Å; V284-L288 PolarHBondContact O-N 3.34Å; L288-A290 PolarHBondContact O-N 2.88Å; L288-G291 PolarHBondContact O-N 3.43Å; L288-M293 HydrophobicContact CD2-CB 4Å; L288-M293 HydrophobicContact CD2-CG 3.89Å; L288-M293 HydrophobicContact CD2-SD 4.17Å; L288-M293 HydrophobicContact CG-CB 4.38Å; L288-M293 HydrophobicContact CG-CG 4.45Å; L288-M293 HydrophobicContact CG-SD 4.23Å; L288-P295 HydrophobicContact CD2-CB 4.02Å
289A92.3Very high89.3Confident4 Ų446.6 Ų46.63%0.03325%0.251CS..Hα-helixtrans-58.1-34.1-178.600000113.5L106 V107 F251 A285 G291L106-A289 HydrophobicContact CD1-CB 3.94Å; V107-A289 PolarHBondContact N-O 3.06Å; V107-A289 WeakPolarHBondContact O-CA 3.07Å; F251-A289 HydrophobicContact CB-CB 4.41Å; F251-A289 HydrophobicContact CD1-CB 3.63Å; F251-A289 HydrophobicContact CD2-CB 3.77Å; F251-A289 HydrophobicContact CE1-CB 3.64Å; F251-A289 HydrophobicContact CE2-CB 3.8Å; F251-A289 HydrophobicContact CG-CB 3.67Å; F251-A289 HydrophobicContact CZ-CB 3.72Å; A285-A289 VanDerWaalsContact O-CB 3.25Å; A285-A289 WeakPolarHBondContact O-CB 3.45Å; A285-A289 PolarHBondContact O-N 2.77Å; A289-G291 VanDerWaalsContact C-N 3.28Å; A289-G291 PolarHBondContact O-N 3.19Å
290A90.9Very high88.9Confident25 Ų2548.5 Ų48.521%0.20727%0.265CS..THydrogen-bonded Turntrans-80.70.7176.600000114.4V286 L288 R292V286-A290 WeakPolarHBondContact O-CB 3.25Å; V286-A290 PolarHBondContact O-N 2.71Å; V286-A290 VanDerWaalsContact O-N 3.12Å; L288-A290 PolarHBondContact O-N 2.88Å; A290-R292 HydrophobicContact CB-CB 4.5Å; A290-R292 HydrophobicContact CB-CG 4.11Å; A290-R292 PolarHBondContact O-N 2.86Å
291G90.1Very high88.5Confident0 Ų049.1 Ų49.10%027%0.266CS..THydrogen-bonded Turntrans6719.4-174.200000114.2L287 L288 A289L287-G291 PolarHBondContact O-N 2.78Å; L288-G291 PolarHBondContact O-N 3.43Å; A289-G291 VanDerWaalsContact C-N 3.28Å; A289-G291 PolarHBondContact O-N 3.19Å
292R90.8Very high87.4Confident64 Ų6450.4 Ų50.424%0.24228%0.275CS..  trans-97.3-1.4-177.3-71.7177.4178-168.2-4.4113.4L287 A290 T300 L301 L303L287-R292 HydrophobicContact CD2-CB 4.04Å; L287-R292 WeakPolarHBondContact O-CA 3.43Å; L287-R292 PolarHBondContact O-N 3Å; A290-R292 HydrophobicContact CB-CB 4.5Å; A290-R292 HydrophobicContact CB-CG 4.11Å; A290-R292 PolarHBondContact O-N 2.86Å; R292-T300 CarbonylContact O-C 3.57Å; R292-T300 WeakPolarHBondContact O-CA 3.42Å; R292-L301 PolarHBondContact O-N 2.84Å; R292-L303 HydrophobicContact CG-CD1 3.71Å
293M88.7Confident86Confident12 Ų1249 Ų496%0.05926%0.261CS..BIsolated β-bridgetrans-134.9133.3173.7178.9174.3-7400108.3F87 V284 L287 L288 M298F87-M293 WeakPolarHBondContact CE1-O 3.38Å; F87-M293 WeakPolarHBondContact CZ-O 3.27Å; V284-M293 HydrophobicContact CG1-SD 3.81Å; L287-M293 HydrophobicContact CB-CB 3.91Å; L287-M293 HydrophobicContact CB-CE 4.32Å; L287-M293 HydrophobicContact CD1-CE 3.79Å; L287-M293 PolarHBondContact O-N 3.4Å; L288-M293 HydrophobicContact CD2-CB 4Å; L288-M293 HydrophobicContact CD2-CG 3.89Å; L288-M293 HydrophobicContact CD2-SD 4.17Å; L288-M293 HydrophobicContact CG-CB 4.38Å; L288-M293 HydrophobicContact CG-CG 4.45Å; L288-M293 HydrophobicContact CG-SD 4.23Å; M293-M298 HydrophobicContact SD-CE 3.83Å; M293-M298 HydrophobicContact SD-SD 4.47Å
294N86.8Confident84.2Confident20 Ų2046.2 Ų46.211%0.10726%0.258CS..  trans-77123.2174.5-179.1-44.4000109F87 H296 S297 M298 S299 L301F87-N294 HydrophobicContact CD1-CB 3.85Å; F87-N294 HydrophobicContact CE1-CB 4.15Å; N294-H296 PolarHBondContact O-N 3.06Å; N294-H296 WeakPolarHBondContact OD1-CB 3.41Å; N294-H296 PolarHBondContact OD1-N 3.09Å; N294-S297 WeakPolarHBondContact CB-OG 3.29Å; N294-S297 PolarHBondContact OD1-N 3.12Å; N294-M298 WeakPolarHBondContact O-CA 3.24Å; N294-M298 PolarHBondContact O-N 3.21Å; N294-S299 PolarHBondContact N-O 3Å; N294-L301 HydrophobicContact CB-CD1 4.34Å; N294-L301 HydrophobicContact CB-CG 4.48Å
295P84.1Confident82.1Confident3 Ų350.7 Ų50.72%0.01928%0.28CS..THydrogen-bonded Turntrans-66.2-22.1-175.727.9-36.3000113.6F87 L288 T339 L353F87-P295 VanDerWaalsContact CD2-CD 3.45Å; F87-P295 HydrophobicContact CD2-CG 3.81Å; F87-P295 VanDerWaalsContact CE2-CD 3.5Å; F87-P295 HydrophobicContact CE2-CG 4.03Å; F87-P295 HydrophobicContact CG-CG 4.24Å; L288-P295 HydrophobicContact CD2-CB 4.02Å; P295-T339 HydrophobicContact CB-CG2 3.76Å; P295-T339 HydrophobicContact CG-CG2 3.83Å; P295-L353 WeakPolarHBondContact O-CB 3.36Å; P295-L353 WeakPolarHBondContact O-CD1 3.4Å
296H80.1Confident79.8Confident75 Ų7559.2 Ų59.235%0.34732%0.32SS..THydrogen-bonded Turntrans-88-42.9-178.4-52.1-53.3000112.6N294 S340 L353N294-H296 PolarHBondContact O-N 3.06Å; N294-H296 WeakPolarHBondContact OD1-CB 3.41Å; N294-H296 PolarHBondContact OD1-N 3.09Å; H296-S340 VanDerWaalsContact CE1-CB 3.48Å; H296-S340 WeakPolarHBondContact CE1-CB 3.38Å; H296-S340 PolarHBondContact CE1-OG 2.57Å; H296-S340 WeakPolarHBondContact NE2-CB 3.45Å; H296-S340 PolarHBondContact NE2-OG 2.84Å; H296-S340 VanDerWaalsContact NE2-OG 3.09Å; H296-L353 PolarHBondContact CE1-O 3.27Å; H296-L353 PolarHBondContact ND1-O 2.92Å
297S83.3Confident77.1Confident69 Ų6962.6 Ų62.648%0.48335%0.345SS..THydrogen-bonded Turntrans-91.7-13.4-18059.40000113.1N294 S299N294-S297 WeakPolarHBondContact CB-OG 3.29Å; N294-S297 PolarHBondContact OD1-N 3.12Å; S297-S299 PolarHBondContact O-N 3.15Å; S297-S299 PolarHBondContact OG-N 2.58Å; S297-S299 PolarHBondContact OG-OG 3.26Å
298M84.8Confident74.5Confident78 Ų7867.7 Ų67.738%0.38437%0.367SS..  trans53.919.2-170.5-58.5-59.7-70.200113.6V284 M293 N294 L353V284-M298 HydrophobicContact CG1-CE 3.64Å; M293-M298 HydrophobicContact SD-CE 3.83Å; M293-M298 HydrophobicContact SD-SD 4.47Å; N294-M298 WeakPolarHBondContact O-CA 3.24Å; N294-M298 PolarHBondContact O-N 3.21Å; M298-L353 HydrophobicContact SD-CD1 3.79Å
299S84.9Confident72.1Confident53 Ų5372.5 Ų72.537%0.37140%0.399SS..PPolyproline II helixtrans-87.7134.417962.40000110.5N294 S297N294-S299 PolarHBondContact N-O 3Å; S297-S299 PolarHBondContact O-N 3.15Å; S297-S299 PolarHBondContact OG-N 2.58Å; S297-S299 PolarHBondContact OG-OG 3.26Å
300T83.8Confident69.7Low93 Ų9375.9 Ų75.957%0.57142%0.419SS*.BIsolated β-bridgetrans-65.2134.2171.3-51.10000110.3R292R292-T300 CarbonylContact O-C 3.57Å; R292-T300 WeakPolarHBondContact O-CA 3.42Å
301L80.9Confident67.4Low41 Ų4182.5 Ų82.522%0.21545%0.446CS..PPolyproline II helixtrans-98126.1175.7-60.6174.3000108.6F87 V91 R292 N294 L303F87-L301 HydrophobicContact CD1-CD1 4.1Å; F87-L301 HydrophobicContact CE1-CD1 3.71Å; V91-L301 HydrophobicContact CG2-CD1 3.53Å; R292-L301 PolarHBondContact O-N 2.84Å; N294-L301 HydrophobicContact CB-CD1 4.34Å; N294-L301 HydrophobicContact CB-CG 4.48Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L301-L303 PolarHBondContact O-N 2.81Å
302Q68.5Low65.1Low196 Ų19683.9 Ų83.992%0.91645%0.452SS*.  trans-74.492.1167.3-78.9-177.1-19.900108.7S304Q302-S304 PolarHBondContact O-N 2.84Å
303L63.5Low63Low18 Ų1882 Ų829%0.09445%0.448CS..  trans-73.6113.9158.8-64.5174.3000106.2V91 K95 R292 L301 L305V91-L303 HydrophobicContact CG1-CD2 3.84Å; K95-L303 HydrophobicContact CD-CD2 4.3Å; K95-L303 HydrophobicContact CG-CD2 3.84Å; R292-L303 HydrophobicContact CG-CD1 3.71Å; L301-L303 VanDerWaalsContact C-N 3.35Å; L301-L303 PolarHBondContact O-N 2.81Å; L303-L305 PolarHBondContact O-N 3.08Å
304S55.2Low60.8Low97 Ų9785.2 Ų85.268%0.67847%0.468SS*.  trans-54.4112.4177.551.20000109.4Q302 Q306Q302-S304 PolarHBondContact O-N 2.84Å; S304-Q306 PolarHBondContact O-N 2.66Å
305L47.3Very low59Low128 Ų12887 Ų8767%0.6748%0.483SS*.  trans-68.496.4176.1-71.3162.1000108.5L303 S307L303-L305 PolarHBondContact O-N 3.08Å; L305-S307 VanDerWaalsContact C-N 3.3Å; L305-S307 PolarHBondContact O-N 3.39Å
306Q43.7Very low57.6Low179 Ų17987.3 Ų87.384%0.83648%0.484SS*.  trans-77.394.4152.5-71-170.4-11.800106.6S304S304-Q306 PolarHBondContact O-N 2.66Å
307S36.1Very low56.5Low101 Ų10188.9 Ų88.971%0.70649%0.487SS*.SBendtrans41.5129.7160.652.70000119.7L305L305-S307 VanDerWaalsContact C-N 3.3Å; L305-S307 PolarHBondContact O-N 3.39Å
308E38.3Very low55.1Low158 Ų15885.7 Ų85.774%0.73846%0.464SS*.SBendtrans92.2135.7177.6-58.9-60.7139.200115.6V310E308-V310 PolarHBondContact O-N 3.35Å; E308-V310 VanDerWaalsContact O-N 3.15Å
309P41Very low53.6Low108 Ų10885.1 Ų85.170%0.70147%0.468SS*.  trans-61.3121.8176.127.6-31000107.2E311P309-E311 PolarHBondContact O-N 3.13Å
310V42Very low52Low75 Ų7587.5 Ų87.546%0.45548%0.476SS..  trans-54.6104.2177.1169.50000108.4E308 F312E308-V310 PolarHBondContact O-N 3.35Å; E308-V310 VanDerWaalsContact O-N 3.15Å; V310-F312 PolarHBondContact O-N 3.11Å; V310-F312 VanDerWaalsContact O-N 3.12Å
311E40.9Very low50.5Low165 Ų16590 Ų9077%0.77148%0.48SS*.  trans-53.8118.7160.4-77.8-172152.400105.3P309P309-E311 PolarHBondContact O-N 3.13Å
312F42.2Very low48.8Very low29 Ų2990.1 Ų90.113%0.12748%0.481CS..  trans-56157.9165.3-89.8-112.7000107.7R256 V286 V310 T314R256-F312 HydrophobicContact CG-CD1 4.15Å; R256-F312 VanDerWaalsContact CZ-CD2 3.44Å; R256-F312 VanDerWaalsContact CZ-CG 3.47Å; R256-F312 VanDerWaalsContact NH2-CG 3.29Å; V286-F312 HydrophobicContact CB-CZ 4.5Å; V286-F312 HydrophobicContact CG1-CE1 3.71Å; V286-F312 HydrophobicContact CG1-CE2 4.24Å; V286-F312 HydrophobicContact CG1-CZ 3.25Å; V310-F312 PolarHBondContact O-N 3.11Å; V310-F312 VanDerWaalsContact O-N 3.12Å; F312-T314 PolarHBondContact O-N 3.27Å; F312-T314 PolarHBondContact O-OG1 2.83Å
313P47.4Very low47.7Very low23 Ų2389.2 Ų89.215%0.14948%0.476CS..SBendtrans-67.676.2-175.527.9-33.9000110.9P253 I316P253-P313 HydrophobicContact CB-CG 4.18Å; P313-I316 HydrophobicContact CB-CD1 3.45Å; P313-I316 VanDerWaalsContact CB-CD1 3.45Å; P313-I316 HydrophobicContact CB-CG1 3.77Å; P313-I316 HydrophobicContact CG-CD1 4.07Å
314T41.9Very low46.7Very low80 Ų8093.2 Ų93.249%0.49151%0.506SS..SBendtrans-72.9-14.2161.541.50000109.7F312 R317F312-T314 PolarHBondContact O-N 3.27Å; F312-T314 PolarHBondContact O-OG1 2.83Å; T314-R317 PolarHBondContact O-NE 2.86Å
315S50.1Low46Very low59 Ų5994.5 Ų94.541%0.41350%0.504SS..  trans-90.2-12.5-177.865.30000115.1R317S315-R317 VanDerWaalsContact C-N 3.32Å; S315-R317 PolarHBondContact O-N 2.85Å
316I53.9Low45.7Very low9 Ų997.2 Ų97.25%0.04651%0.511CS..  trans-81.684.7174.2-52.9165000108L124 V125 P313 A334L124-I316 CarbonylContact O-C 3.58Å; L124-I316 WeakPolarHBondContact O-CG2 3.37Å; V125-I316 HydrophobicContact CG1-CG2 3.56Å; P313-I316 HydrophobicContact CB-CD1 3.45Å; P313-I316 VanDerWaalsContact CB-CD1 3.45Å; P313-I316 HydrophobicContact CB-CG1 3.77Å; P313-I316 HydrophobicContact CG-CD1 4.07Å; I316-A334 HydrophobicContact CD1-CB 3.45Å; I316-A334 VanDerWaalsContact CD1-CB 3.45Å; I316-A334 HydrophobicContact CG1-CB 4.12Å; I316-A334 HydrophobicContact CG2-CB 4.31Å
317R56.3Low45.4Very low108 Ų10897.1 Ų97.141%0.40851%0.51SS..  trans-132.1134.9176.1-65.6-173.6175.5-159.9-5.6110.1T314 S315T314-R317 PolarHBondContact O-NE 2.86Å; S315-R317 VanDerWaalsContact C-N 3.32Å; S315-R317 PolarHBondContact O-N 2.85Å
318S53.5Low45.7Very low2 Ų296.2 Ų96.21%0.01450%0.504CS..  trans-57.4147.7166.3170.40000110.6S26 R123 L124 D126 D320 F321S26-S318 WeakPolarHBondContact OG-CA 3.3Å; R123-S318 WeakPolarHBondContact O-CB 3.48Å; L124-S318 PolarHBondContact O-N 3.35Å; D126-S318 VanDerWaalsContact OD1-CB 3.26Å; D126-S318 WeakPolarHBondContact OD1-CB 3.2Å; D126-S318 PolarHBondContact OD1-OG 2.87Å; S318-D320 PolarHBondContact O-N 3.15Å; S318-D320 VanDerWaalsContact O-N 3.1Å; S318-D320 PolarHBondContact OG-N 2.99Å; S318-F321 PolarHBondContact O-N 3.32Å
319S53.1Low46.4Very low65 Ų6597.8 Ų97.846%0.45551%0.508SS..THydrogen-bonded Turntrans-56.3-25.1174.756.90000113.2F321S319-F321 VanDerWaalsContact C-N 3.3Å; S319-F321 PolarHBondContact O-N 2.64Å
320D53.1Low46.9Very low103 Ų10396 Ų9655%0.55150%0.495SS*.THydrogen-bonded Turntrans-72.4-24.6179.5-73.5-7.7000112.9S318S318-D320 PolarHBondContact O-N 3.15Å; S318-D320 VanDerWaalsContact O-N 3.1Å; S318-D320 PolarHBondContact OG-N 2.99Å
321F50.6Low47.8Very low145 Ų14594.7 Ų94.764%0.63649%0.489SS*.THydrogen-bonded Turntrans-83.1-18.5-178.6-133.1-92.2000112.6S318 S319S318-F321 PolarHBondContact O-N 3.32Å; S319-F321 VanDerWaalsContact C-N 3.3Å; S319-F321 PolarHBondContact O-N 2.64Å
322D46.5Very low48.7Very low45 Ų4587.7 Ų87.724%0.24146%0.458CS..  trans-120.670178.7-149.7-30000111.6S324 L325D322-S324 PolarHBondContact O-N 3.01Å; D322-S324 PolarHBondContact OD1-N 2.95Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; D322-L325 HydrophobicContact CB-CD1 4.27Å; D322-L325 VanDerWaalsContact CG-CD1 3.5Å; D322-L325 PolarHBondContact O-N 3.38Å; D322-L325 PolarHBondContact OD1-N 3.24Å; D322-L325 WeakPolarHBondContact OD2-CD1 3.5Å
323Q44.7Very low49.6Very low176 Ų17687.6 Ų87.682%0.82246%0.46SS*.THydrogen-bonded Turntrans-63.8-5.5172.3-67.9-174.72.800113
324S42.9Very low50.4Low102 Ų10286.5 Ų86.571%0.71345%0.453SS*.THydrogen-bonded Turntrans-96-21.5-176.680.30000114.2D322 K326D322-S324 PolarHBondContact O-N 3.01Å; D322-S324 PolarHBondContact OD1-N 2.95Å; D322-S324 PolarHBondContact OD1-OG 3.33Å; S324-K326 PolarHBondContact O-N 2.78Å; S324-K326 VanDerWaalsContact O-N 3.1Å
325L41.3Very low52Low124 Ų12484.4 Ų84.465%0.64944%0.438SS*.  trans-85.874.4176.3-78.5168.5000111.9D322 H327D322-L325 HydrophobicContact CB-CD1 4.27Å; D322-L325 VanDerWaalsContact CG-CD1 3.5Å; D322-L325 PolarHBondContact O-N 3.38Å; D322-L325 PolarHBondContact OD1-N 3.24Å; D322-L325 WeakPolarHBondContact OD2-CD1 3.5Å; L325-H327 PolarHBondContact O-N 3Å
326K40Very low53.3Low186 Ų18681.6 Ų81.681%0.80942%0.418SS*.  trans-72.7-1.5172.9-82.2-174.5178177.80114.7S324S324-K326 PolarHBondContact O-N 2.78Å; S324-K326 VanDerWaalsContact O-N 3.1Å
327H38.4Very low54.2Low177 Ų17781.2 Ų81.282%0.81942%0.416SS*.SBendtrans-138.972.1-169.4-81.133.8000112.8L325L325-H327 PolarHBondContact O-N 3Å
328S41.7Very low55.2Low81 Ų8177.9 Ų77.957%0.56641%0.405SS*.  trans165.9107149.3178.50000108.2T330S328-T330 PolarHBondContact O-N 3.03Å; S328-T330 WeakPolarHBondContact OG-CG2 3.26Å; S328-T330 PolarHBondContact OG-OG1 3.1Å
329K52Low55.4Low192 Ų19278.1 Ų78.184%0.83541%0.406SS*.  trans-78.856.4176.9-70.7-173.5179.6-177.10111.1
330T52.1Low55.6Low70 Ų7075.8 Ų75.843%0.42939%0.39SS..  trans-88.1118.9177.640.10000110.3S328S328-T330 PolarHBondContact O-N 3.03Å; S328-T330 WeakPolarHBondContact OG-CG2 3.26Å; S328-T330 PolarHBondContact OG-OG1 3.1Å
331S60.5Low55.3Low47 Ų4773.4 Ų73.433%0.32938%0.379SS..  trans-64.2143.9169-70.10000110.9F22 G24 M25 N102F22-S331 PolarHBondContact O-OG 3.43Å; G24-S331 PolarHBondContact N-OG 3.48Å; M25-S331 VanDerWaalsContact O-CA 3.26Å; M25-S331 WeakPolarHBondContact O-CA 3.46Å; M25-S331 VanDerWaalsContact O-CB 3.31Å; M25-S331 WeakPolarHBondContact O-CB 3.4Å; M25-S331 PolarHBondContact O-OG 3.3Å; N102-S331 WeakPolarHBondContact CB-O 3.34Å
332T59.8Low54.9Low18 Ų1873.5 Ų73.511%0.1138%0.375CS..EExtended strand (participates in β ladder)trans-114.4142.2172.2580000110.2M25 S26 V27 N102M25-T332 PolarHBondContact O-N 2.81Å; S26-T332 CarbonylContact C-O 3.59Å; S26-T332 WeakPolarHBondContact CA-O 3.22Å; S26-T332 WeakPolarHBondContact CB-OG1 3.23Å; V27-T332 PolarHBondContact N-O 2.58Å; N102-T332 HydrophobicContact CB-CG2 4.3Å; N102-T332 WeakPolarHBondContact O-CA 3.18Å
333C61.4Low54.6Low27 Ų2773.1 Ų73.118%0.18237%0.371CS..EExtended strand (participates in β ladder)trans-125.7133.7-176.8-175.10000110.9V27 N102 V103 S104V27-C333 CarbonylContact O-C 3.59Å; V27-C333 VanDerWaalsContact O-CA 3.29Å; V27-C333 WeakPolarHBondContact O-CA 3.48Å; N102-C333 PolarHBondContact O-N 3.44Å; V103-C333 HydrophobicContact CG2-CB 4.49Å; S104-C333 PolarHBondContact N-O 3.1Å
334A65.1Low54.1Low0 Ų065.4 Ų65.40%034%0.336CS..EExtended strand (participates in β ladder)trans-115.2106.9173.400000110V27 A28 V29 S104 I316 V336V27-A334 PolarHBondContact O-N 3.45Å; A28-A334 CarbonylContact C-O 3.49Å; A28-A334 WeakPolarHBondContact CA-O 3.31Å; A28-A334 HydrophobicContact CB-CB 4.35Å; V29-A334 PolarHBondContact N-O 3.17Å; S104-A334 CarbonylContact O-C 3.56Å; S104-A334 WeakPolarHBondContact O-CA 3.14Å; I316-A334 HydrophobicContact CD1-CB 3.45Å; I316-A334 VanDerWaalsContact CD1-CB 3.45Å; I316-A334 HydrophobicContact CG1-CB 4.12Å; I316-A334 HydrophobicContact CG2-CB 4.31Å; A334-V336 PolarHBondContact O-N 3.38Å
335F74.6Confident53.7Low37 Ų3764.3 Ų64.316%0.16233%0.325CS..EExtended strand (participates in β ladder)trans-77114.7169.1-73.4-72.7000109.3V29 A31 W34 V103 S104 C105 L106 F337V29-F335 HydrophobicContact CB-CD1 3.78Å; V29-F335 HydrophobicContact CB-CE1 3.95Å; V29-F335 HydrophobicContact CG1-CD1 3.94Å; V29-F335 HydrophobicContact CG1-CE1 3.89Å; V29-F335 HydrophobicContact CG2-CD1 4.41Å; V29-F335 HydrophobicContact CG2-CE1 4.19Å; A31-F335 HydrophobicContact CB-CB 4.02Å; A31-F335 HydrophobicContact CB-CD1 3.95Å; A31-F335 HydrophobicContact CB-CG 4.45Å; W34-F335 HydrophobicContact CE3-CE1 4.1Å; W34-F335 AromaticContact CZ3-CE1 3.74Å; W34-F335 HydrophobicContact CZ3-CE1 3.74Å; W34-F335 HydrophobicContact CZ3-CZ 4.39Å; V103-F335 HydrophobicContact CG1-CD2 3.48Å; V103-F335 VanDerWaalsContact CG1-CD2 3.48Å; V103-F335 HydrophobicContact CG1-CE2 3.51Å; S104-F335 PolarHBondContact O-N 2.69Å; C105-F335 CarbonylContact C-O 3.57Å; C105-F335 WeakPolarHBondContact CA-O 3.4Å; L106-F335 PolarHBondContact N-O 3.34Å; F335-F337 HydrophobicContact CB-CE2 3.7Å; F335-F337 HydrophobicContact CB-CZ 3.98Å
336V77.2Confident53.4Low0 Ų059.8 Ų59.80%030%0.304CS..EExtended strand (participates in β ladder)trans-101121178.4-175.20000109.4A28 V29 A31 L106 A108 A112 Q115 L116 L119 A334A28-V336 HydrophobicContact CB-CG2 4.39Å; V29-V336 PolarHBondContact O-N 2.83Å; A31-V336 WeakPolarHBondContact CB-O 3.28Å; A31-V336 PolarHBondContact N-O 3.42Å; L106-V336 CarbonylContact O-C 3.58Å; L106-V336 VanDerWaalsContact O-CA 3.24Å; L106-V336 WeakPolarHBondContact O-CA 3.26Å; A108-V336 HydrophobicContact CB-CG1 4.25Å; A112-V336 HydrophobicContact CB-CG1 4.05Å; Q115-V336 HydrophobicContact CB-CG1 3.95Å; Q115-V336 HydrophobicContact CG-CG1 3.69Å; L116-V336 HydrophobicContact CD2-CB 3.75Å; L116-V336 HydrophobicContact CD2-CG1 4.36Å; L116-V336 HydrophobicContact CD2-CG2 3.55Å; L116-V336 HydrophobicContact CG-CB 4.11Å; L116-V336 HydrophobicContact CG-CG1 4.23Å; L116-V336 HydrophobicContact CG-CG2 4.29Å; L119-V336 HydrophobicContact CD1-CG2 3.87Å; A334-V336 PolarHBondContact O-N 3.38Å
337F73.4Confident53Low1 Ų157.7 Ų57.70%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-106.9148.4177.2-57-92000110.2A31 V90 V93 I94 C105 L106 V107 A108 F335A31-F337 HydrophobicContact CB-CD1 3.54Å; A31-F337 HydrophobicContact CB-CD2 4.3Å; A31-F337 HydrophobicContact CB-CE1 3.34Å; A31-F337 HydrophobicContact CB-CE2 4.11Å; A31-F337 HydrophobicContact CB-CG 4.03Å; A31-F337 HydrophobicContact CB-CZ 3.65Å; V90-F337 HydrophobicContact CB-CD1 4.27Å; V90-F337 HydrophobicContact CG1-CB 3.75Å; V90-F337 HydrophobicContact CG1-CD1 3.62Å; V90-F337 HydrophobicContact CG1-CD2 4.22Å; V90-F337 HydrophobicContact CG1-CE1 4.24Å; V90-F337 HydrophobicContact CG1-CG 3.59Å; V90-F337 HydrophobicContact CG2-CD1 4.05Å; V93-F337 HydrophobicContact CB-CE1 3.99Å; V93-F337 HydrophobicContact CB-CZ 4.02Å; V93-F337 HydrophobicContact CG1-CE1 3.85Å; V93-F337 HydrophobicContact CG1-CZ 3.61Å; I94-F337 HydrophobicContact CD1-CD2 4.39Å; I94-F337 HydrophobicContact CD1-CE2 4.42Å; I94-F337 HydrophobicContact CG1-CD2 4.24Å; I94-F337 HydrophobicContact CG1-CE2 3.79Å; I94-F337 HydrophobicContact CG1-CZ 4.19Å; C105-F337 HydrophobicContact CB-CE2 3.95Å; L106-F337 PolarHBondContact O-N 3.38Å; V107-F337 CarbonylContact C-O 3.56Å; V107-F337 HydrophobicContact CG2-CB 4.36Å; A108-F337 WeakPolarHBondContact CB-O 3.47Å; A108-F337 PolarHBondContact N-O 3Å; F335-F337 HydrophobicContact CB-CE2 3.7Å; F335-F337 HydrophobicContact CB-CZ 3.98Å
338E77.2Confident52.7Low38 Ų3852 Ų5218%0.17829%0.291CS..  trans-90.1150.5170.8173.2176.2-163.300109.7S32 Y110 A112 S340S32-E338 VanDerWaalsContact OG-CB 3.31Å; S32-E338 WeakPolarHBondContact OG-CB 3.42Å; S32-E338 PolarHBondContact OG-N 3.35Å; Y110-E338 WeakPolarHBondContact O-CG 3.31Å; A112-E338 HydrophobicContact CB-CB 4.15Å; E338-S340 PolarHBondContact O-N 3.22Å
339T58.6Low52Low6 Ų655.9 Ų55.94%0.03731%0.305CS..SBendtrans-76.463.1171.250.90000111.8V107 A108 P109 Y110 P295V107-T339 HydrophobicContact CG1-CG2 3.7Å; A108-T339 WeakPolarHBondContact O-CG2 2.79Å; P109-T339 PolarHBondContact O-OG1 2.91Å; Y110-T339 WeakPolarHBondContact CA-OG1 3.47Å; Y110-T339 PolarHBondContact O-N 3.23Å; P295-T339 HydrophobicContact CB-CG2 3.76Å; P295-T339 HydrophobicContact CG-CG2 3.83Å
340S56.8Low50.7Low16 Ų1652.6 Ų52.611%0.11230%0.301CS..  trans57.5165.1178.5101.20000117.2H296 E338 R342H296-S340 VanDerWaalsContact CE1-CB 3.48Å; H296-S340 WeakPolarHBondContact CE1-CB 3.38Å; H296-S340 PolarHBondContact CE1-OG 2.57Å; H296-S340 WeakPolarHBondContact NE2-CB 3.45Å; H296-S340 PolarHBondContact NE2-OG 2.84Å; H296-S340 VanDerWaalsContact NE2-OG 3.09Å; E338-S340 PolarHBondContact O-N 3.22Å; S340-R342 PolarHBondContact O-N 3.01Å
341T45.8Very low49.6Very low54 Ų5456 Ų5633%0.33131%0.306SS..SBendtrans-65.26.3-162.161.60000118.4K343T341-K343 PolarHBondContact O-N 3.22Å; T341-K343 VanDerWaalsContact O-N 3.13Å
342R42.3Very low47.9Very low146 Ų14658.4 Ų58.455%0.55131%0.314SS*.  trans-85.987.1172.5-70.1-170.7-174.4-158.24.2108.5S340S340-R342 PolarHBondContact O-N 3.01Å
343K40.2Very low46.6Very low37 Ų3760.6 Ų60.616%0.16133%0.325CS..  trans-41.6145.7160.5-76.1177.8157.3150.90109.2M1 D187 T341 V345M1-K343 PolarHBondContact SD-NZ 2.79Å; D187-K343 HydrophobicContact CB-CD 3.77Å; D187-K343 IonicContact OD1-NZ 2.86Å; D187-K343 PolarHBondContact OD1-NZ 3.15Å; D187-K343 VanDerWaalsContact OD1-NZ 3.1Å; D187-K343 VanDerWaalsContact OD2-CE 3.28Å; D187-K343 WeakPolarHBondContact OD2-CE 3.27Å; D187-K343 IonicContact OD2-NZ 3.81Å; D187-K343 PolarHBondContact OD2-NZ 3.24Å; T341-K343 PolarHBondContact O-N 3.22Å; T341-K343 VanDerWaalsContact O-N 3.13Å; K343-V345 HydrophobicContact CB-CG2 3.6Å; K343-V345 WeakPolarHBondContact O-CG2 3.21Å; K343-V345 PolarHBondContact O-N 2.91Å
344V35.9Very low45.9Very low14 Ų1462.3 Ų62.39%0.08533%0.332CS..  trans-69.273.8170-165.80000106.9Y110 Y275 C346 W351Y110-V344 HydrophobicContact CD1-CG2 3.78Å; Y110-V344 HydrophobicContact CG-CG2 4.24Å; Y275-V344 WeakPolarHBondContact O-CG1 3.01Å; V344-C346 PolarHBondContact O-N 3.28Å; V344-W351 HydrophobicContact CG1-CH2 4.37Å; V344-W351 HydrophobicContact CG1-CZ3 3.75Å
345V34Very low44.8Very low80 Ų8065.5 Ų65.549%0.48535%0.35SS..  trans-82.4109-177.6-174.90000105.5K343 N347K343-V345 HydrophobicContact CB-CG2 3.6Å; K343-V345 WeakPolarHBondContact O-CG2 3.21Å; K343-V345 PolarHBondContact O-N 2.91Å; V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 HydrophobicContact CG1-CB 4.26Å; V345-N347 PolarHBondContact O-N 3.3Å
346C34.6Very low43.2Very low29 Ų2967.1 Ų67.120%0.19636%0.36CS..  trans-66.593.1168175.70000108.8R237 E240 V344R237-C346 PolarHBondContact NE-O 2.88Å; R237-C346 VanDerWaalsContact NH2-CB 3.35Å; R237-C346 PolarHBondContact NH2-O 3.44Å; E240-C346 PolarHBondContact OE2-SG 3.03Å; V344-C346 PolarHBondContact O-N 3.28Å
347N32Very low41.2Very low142 Ų14271.1 Ų71.176%0.75938%0.381SS*.  trans-159.4100.7166.9-141.213.8000110.2V345V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 HydrophobicContact CG1-CB 4.26Å; V345-N347 PolarHBondContact O-N 3.3Å
348G30.9Very low39.2Very low57 Ų5775.4 Ų75.459%0.58841%0.405SS*.SBendtrans62103.115800000118.8T350G348-T350 VanDerWaalsContact C-N 3.26Å; G348-T350 PolarHBondContact O-N 2.64Å; G348-T350 PolarHBondContact O-OG1 3.1Å
349D26.9Very low36.6Very low162 Ų16277.9 Ų77.987%0.86642%0.42SS*.SBendtrans44.310146.6-63.1-14.7000122.5
350T24.9Very low35.1Very low123 Ų12383.1 Ų83.176%0.75545%0.447SS*.  trans-137.596.8173.43.60000111.9G348G348-T350 VanDerWaalsContact C-N 3.26Å; G348-T350 PolarHBondContact O-N 2.64Å; G348-T350 PolarHBondContact O-OG1 3.1Å
351W29.7Very low33.4Very low141 Ų14188.2 Ų88.253%0.53447%0.473SS..  trans-86.9120.7171.5-55.595.1000109.1V344V344-W351 HydrophobicContact CG1-CH2 4.37Å; V344-W351 HydrophobicContact CG1-CZ3 3.75Å
352I25.6Very low32.4Very low99 Ų9991.1 Ų91.151%0.50849%0.485SS..  trans-126.3123.5156.5-53.7-179.9000103.7
353L31.6Very low31.5Very low63 Ų6386.1 Ų86.133%0.3348%0.479SS..  trans-44.80173.9-79.8166.3000111.3Y110 P295 H296 M298Y110-L353 HydrophobicContact CE1-CD2 3.76Å; P295-L353 WeakPolarHBondContact O-CB 3.36Å; P295-L353 WeakPolarHBondContact O-CD1 3.4Å; H296-L353 PolarHBondContact CE1-O 3.27Å; H296-L353 PolarHBondContact ND1-O 2.92Å; M298-L353 HydrophobicContact SD-CD1 3.79Å

Retrieved 353 of 353 residues in 331.4 ms (Link to these results)

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