X6RI79_HUMAN Loading...

Helicase senataxin

AlphaFold DB , UniProt , Accession X6RI79, Species HUMAN (Homo sapiens, Human), Gene SETX, Length 948 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
1V60.5Low60Low91 Ų91101.8 Ų101.855%0.55253%0.525SS*.  0-77.30-174.10000111.1Q3 E4 W5 L52 I122 S123V1-Q3 PolarHBondContact O-N 3.21Å; V1-E4 WeakPolarHBondContact CA-OE2 3.44Å; V1-E4 PolarHBondContact N-OE2 3.15Å; V1-E4 PolarHBondContact O-N 2.72Å; V1-E4 VanDerWaalsContact O-N 3.11Å; V1-W5 PolarHBondContact O-N 2.87Å; V1-L52 HydrophobicContact CG1-CD2 4.35Å; V1-I122 HydrophobicContact CG1-CG2 3.92Å; V1-S123 WeakPolarHBondContact CG1-OG 3.29Å
2A63.7Low59.5Low29 Ų29107.7 Ų107.724%0.2455%0.548CS..Hα-helixtrans-57.1-50-176.300000113.6E4 W5 L6 F54 I122A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 3.15Å; A2-W5 PolarHBondContact O-N 3.03Å; A2-L6 PolarHBondContact O-N 3.3Å; A2-L6 VanDerWaalsContact O-N 3.08Å; A2-F54 HydrophobicContact CB-CE1 4.33Å; A2-F54 HydrophobicContact CB-CZ 3.84Å; A2-I122 HydrophobicContact CB-CD1 4.46Å
3Q63.9Low59.7Low157 Ų157108 Ų10873%0.73455%0.552SS**Hα-helixtrans-62.1-35.5175-70.5168.9-35.900113.2V1 W5 L6 N7V1-Q3 PolarHBondContact O-N 3.21Å; Q3-W5 VanDerWaalsContact C-N 3.33Å; Q3-L6 PolarHBondContact O-N 3.07Å; Q3-N7 VanDerWaalsContact O-CG 3.26Å; Q3-N7 PolarHBondContact O-N 3.37Å; Q3-N7 PolarHBondContact O-OD1 3.26Å
4E62.2Low60.7Low92 Ų92108.9 Ų108.943%0.4355%0.551SS.*Hα-helixtrans-69.6-31.9177.5-63.8161.4145.400111.6V1 A2 S8V1-E4 WeakPolarHBondContact CA-OE2 3.44Å; V1-E4 PolarHBondContact N-OE2 3.15Å; V1-E4 PolarHBondContact O-N 2.72Å; V1-E4 VanDerWaalsContact O-N 3.11Å; A2-E4 VanDerWaalsContact C-N 3.32Å; A2-E4 PolarHBondContact O-N 3.15Å; E4-S8 PolarHBondContact O-N 2.91Å
5W67.3Low62Low36 Ų36104.1 Ų104.114%0.13652%0.523CS..Hα-helixtrans-71.4-40.3173.2-172.999000112V1 A2 Q3 N7 S8 P9 F54 I120 I122V1-W5 PolarHBondContact O-N 2.87Å; A2-W5 PolarHBondContact O-N 3.03Å; Q3-W5 VanDerWaalsContact C-N 3.33Å; W5-N7 PolarHBondContact O-N 3.21Å; W5-S8 CarbonylContact O-C 3.54Å; W5-S8 PolarHBondContact O-N 2.95Å; W5-P9 HydrophobicContact CE3-CB 4.34Å; W5-P9 HydrophobicContact CH2-CB 3.85Å; W5-P9 HydrophobicContact CZ2-CB 4.17Å; W5-P9 HydrophobicContact CZ3-CB 3.95Å; W5-P9 WeakPolarHBondContact O-CA 3.49Å; W5-P9 VanDerWaalsContact O-N 3.15Å; W5-F54 HydrophobicContact CB-CE2 4.49Å; W5-F54 HydrophobicContact CD2-CD2 4.33Å; W5-F54 HydrophobicContact CD2-CE2 4.04Å; W5-F54 AromaticContact CE3-CD2 3.79Å; W5-F54 HydrophobicContact CE3-CD2 3.79Å; W5-F54 AromaticContact CE3-CE2 3.47Å; W5-F54 HydrophobicContact CE3-CE2 3.47Å; W5-F54 VanDerWaalsContact CE3-CE2 3.47Å; W5-F54 HydrophobicContact CG-CE2 4.47Å; W5-F54 AromaticContact CZ3-CD2 3.97Å; W5-F54 HydrophobicContact CZ3-CD2 3.97Å; W5-F54 HydrophobicContact CZ3-CE2 4.06Å; W5-I120 HydrophobicContact CH2-CD1 4Å; W5-I120 HydrophobicContact CH2-CG2 4.23Å; W5-I120 HydrophobicContact CZ2-CD1 4.48Å; W5-I120 HydrophobicContact CZ2-CG2 3.75Å; W5-I122 HydrophobicContact CB-CG2 4.05Å; W5-I122 HydrophobicContact CG-CG2 4.17Å
6L65.3Low63.3Low83 Ų83103.7 Ų103.744%0.43552%0.519SS..Hα-helixtrans-60-34.5174.5-69.5169.5000111.6A2 Q3 S8 F54 Y78A2-L6 PolarHBondContact O-N 3.3Å; A2-L6 VanDerWaalsContact O-N 3.08Å; Q3-L6 PolarHBondContact O-N 3.07Å; L6-S8 VanDerWaalsContact C-N 3.28Å; L6-S8 PolarHBondContact O-N 3.26Å; L6-F54 HydrophobicContact CD1-CZ 4.07Å; L6-F54 HydrophobicContact CD2-CE2 4.15Å; L6-F54 HydrophobicContact CD2-CZ 4.04Å; L6-F54 HydrophobicContact CG-CE2 4.18Å; L6-F54 HydrophobicContact CG-CZ 3.85Å; L6-Y78 HydrophobicContact CD2-CD2 3.88Å; L6-Y78 HydrophobicContact CD2-CG 4.48Å
7N59.5Low64.5Low139 Ų13997.6 Ų97.674%0.74349%0.489SS*.THydrogen-bonded Turntrans-75-10.6174.2-63.7-7.7000114Q3 W5Q3-N7 VanDerWaalsContact O-CG 3.26Å; Q3-N7 PolarHBondContact O-N 3.37Å; Q3-N7 PolarHBondContact O-OD1 3.26Å; W5-N7 PolarHBondContact O-N 3.21Å
8S53.8Low65.5Low86 Ų8694.8 Ų94.860%0.60147%0.474SS*.SBendtrans-154.672.7179.6-156.50000111.8E4 W5 L6 N10E4-S8 PolarHBondContact O-N 2.91Å; W5-S8 CarbonylContact O-C 3.54Å; W5-S8 PolarHBondContact O-N 2.95Å; L6-S8 VanDerWaalsContact C-N 3.28Å; L6-S8 PolarHBondContact O-N 3.26Å; S8-N10 PolarHBondContact O-N 3.36Å; S8-N10 VanDerWaalsContact O-N 3.13Å
9P56.8Low66.3Low61 Ų6189.9 Ų89.940%0.39645%0.449SS..  trans-76.9102.9-169.829.1-35.2000112.4W5 R11W5-P9 HydrophobicContact CE3-CB 4.34Å; W5-P9 HydrophobicContact CH2-CB 3.85Å; W5-P9 HydrophobicContact CZ2-CB 4.17Å; W5-P9 HydrophobicContact CZ3-CB 3.95Å; W5-P9 WeakPolarHBondContact O-CA 3.49Å; W5-P9 VanDerWaalsContact O-N 3.15Å; P9-R11 PolarHBondContact O-N 2.95Å
10N53.8Low67Low130 Ų13088.7 Ų88.770%0.69544%0.439SS*.  trans-69.798.4165.6-90.8-19.3000109.8S8 E12S8-N10 PolarHBondContact O-N 3.36Å; S8-N10 VanDerWaalsContact O-N 3.13Å; N10-E12 VanDerWaalsContact C-N 3.29Å; N10-E12 PolarHBondContact O-N 2.9Å
11R53Low67.1Low216 Ų21690.3 Ų90.382%0.81544%0.444SS*.  trans-75.12.3-171.6-68.8-173.2171.8-161.2-4.5116.4P9 N13P9-R11 PolarHBondContact O-N 2.95Å; R11-N13 PolarHBondContact O-N 3.39Å
12E54.1Low67.1Low172 Ų17290.3 Ų90.380%0.80444%0.437SS*.SBendtrans-77.9-14.9-155.9-65.5-165.3140.500117.5N10N10-E12 VanDerWaalsContact C-N 3.29Å; N10-E12 PolarHBondContact O-N 2.9Å
13N62Low66.7Low112 Ų11291.5 Ų91.560%0.59944%0.442SS*.  trans-147.9131.8176.1-71.7-93.1000112.5R11R11-N13 PolarHBondContact O-N 3.39Å
14F73.5Confident66.2Low121 Ų12188 Ų8853%0.53144%0.44SS..  trans-134.7155.2168.664.3-89.7000110.2Q16 N118 C119 I120F14-Q16 HydrophobicContact CE2-CG 4.49Å; F14-N118 HydrophobicContact CD2-CB 4.22Å; F14-N118 WeakPolarHBondContact CD2-OD1 3.36Å; F14-N118 WeakPolarHBondContact CE2-OD1 3.35Å; F14-C119 CarbonylContact C-O 3.53Å; F14-C119 WeakPolarHBondContact CA-O 3.49Å; F14-I120 HydrophobicContact CB-CG1 4.06Å
15Y80.2Confident65.6Low36 Ų3689.6 Ų89.614%0.14145%0.451CS..EExtended strand (participates in β ladder)trans-119.2122.2179.3-57.6-89.7000109.4L17 L45 Y46 P47 C119 V121Y15-L17 PolarHBondContact O-N 3.39Å; Y15-L45 VanDerWaalsContact CE1-O 3.26Å; Y15-L45 WeakPolarHBondContact CE1-O 3.33Å; Y15-L45 PolarHBondContact OH-O 3.46Å; Y15-Y46 PolarHBondContact OH-N 2.93Å; Y15-P47 HydrophobicContact CD2-CG 3.85Å; Y15-P47 HydrophobicContact CE2-CG 4.35Å; Y15-P47 HydrophobicContact CG-CG 4.24Å; Y15-C119 PolarHBondContact N-O 3.4Å; Y15-C119 WeakPolarHBondContact O-CB 3.49Å; Y15-C119 PolarHBondContact O-N 2.89Å; Y15-V121 HydrophobicContact CE2-CG2 4.18Å
16Q82.9Confident64.9Low98 Ų9899.4 Ų99.446%0.45849%0.49SS..EExtended strand (participates in β ladder)trans-70.7118.3169.8-80.2179.2-31.700109.7F14 E58 N118F14-Q16 HydrophobicContact CE2-CG 4.49Å; Q16-E58 PolarHBondContact NE2-OE1 3.44Å; Q16-E58 PolarHBondContact NE2-OE2 3.02Å; Q16-E58 VanDerWaalsContact NE2-OE2 3.1Å; Q16-N118 VanDerWaalsContact CG-OD1 3.23Å; Q16-N118 WeakPolarHBondContact CG-OD1 3.48Å
17L84.1Confident64.5Low0 Ų0100.7 Ų100.70%050%0.496CS..EExtended strand (participates in β ladder)trans-107136.2175-59.5-170000109.2Y15 F32 V34 L55 L101 I103 L116 V117 C119Y15-L17 PolarHBondContact O-N 3.39Å; L17-F32 HydrophobicContact CB-CB 4.02Å; L17-F32 HydrophobicContact CB-CD1 3.6Å; L17-F32 HydrophobicContact CB-CE1 4.31Å; L17-F32 HydrophobicContact CB-CG 4.02Å; L17-F32 HydrophobicContact CD1-CB 4.13Å; L17-F32 HydrophobicContact CD1-CD1 4.12Å; L17-F32 HydrophobicContact CD1-CD2 4.26Å; L17-F32 HydrophobicContact CD1-CG 3.93Å; L17-V34 HydrophobicContact CD2-CB 3.73Å; L17-V34 HydrophobicContact CD2-CG1 4.49Å; L17-V34 HydrophobicContact CD2-CG2 3.91Å; L17-L55 HydrophobicContact CD1-CD2 4.22Å; L17-L101 HydrophobicContact CD1-CD1 4.2Å; L17-L101 HydrophobicContact CD2-CD1 3.61Å; L17-I103 HydrophobicContact CD1-CD1 3.7Å; L17-L116 WeakPolarHBondContact O-CA 3.44Å; L17-V117 PolarHBondContact N-O 3.39Å; L17-V117 PolarHBondContact O-N 3Å; L17-C119 HydrophobicContact CD1-CB 3.46Å; L17-C119 VanDerWaalsContact CD1-CB 3.46Å; L17-C119 HydrophobicContact CD2-CB 4.45Å; L17-C119 HydrophobicContact CG-CB 3.63Å
18Q82.9Confident65.1Low48 Ų4899 Ų9922%0.22448%0.482CS..EExtended strand (participates in β ladder)trans-100122173.1-175.1160.654.100110.4R20 F32 A33 N114 E115 L116Q18-R20 VanDerWaalsContact CD-NH1 3.3Å; Q18-R20 PolarHBondContact O-N 3.44Å; Q18-F32 CarbonylContact O-C 3.57Å; Q18-F32 VanDerWaalsContact O-CA 3.31Å; Q18-F32 WeakPolarHBondContact O-CA 3.46Å; Q18-A33 PolarHBondContact N-O 2.79Å; Q18-A33 PolarHBondContact O-N 3.3Å; Q18-N114 HydrophobicContact CG-CB 4.4Å; Q18-N114 PolarHBondContact NE2-O 2.98Å; Q18-E115 WeakPolarHBondContact CA-O 3.44Å; Q18-L116 HydrophobicContact CB-CD2 4.18Å
19V81Confident66.5Low1 Ų197.4 Ų97.41%0.00646%0.463CS..EExtended strand (participates in β ladder)trans-61.5126.8175.6-179.60000109.5F32 A111 N112 N114 E115 V117V19-F32 HydrophobicContact CG2-CD1 4.01Å; V19-F32 HydrophobicContact CG2-CE1 3.61Å; V19-A111 HydrophobicContact CG2-CB 4.07Å; V19-N112 VanDerWaalsContact CB-O 3.27Å; V19-N112 WeakPolarHBondContact CB-O 3.44Å; V19-N112 WeakPolarHBondContact CG1-O 3.27Å; V19-N114 WeakPolarHBondContact O-CA 3.46Å; V19-N114 PolarHBondContact O-N 2.89Å; V19-E115 PolarHBondContact N-O 3.08Å; V19-V117 HydrophobicContact CG2-CG2 3.98Å
20R79.1Confident67.7Low65 Ų6595.9 Ų95.925%0.24545%0.45CS..EExtended strand (participates in β ladder)trans-115-30.1-178.3-79.3-67.8-169.5-121.6-11.8114.8Q18 E31 A33 Y35 Y100 L113 N114Q18-R20 VanDerWaalsContact CD-NH1 3.3Å; Q18-R20 PolarHBondContact O-N 3.44Å; R20-E31 PolarHBondContact N-O 3.48Å; R20-A33 HydrophobicContact CG-CB 3.65Å; R20-Y35 PolarHBondContact NH2-OH 2.83Å; R20-Y100 HydrophobicContact CB-CE1 4.38Å; R20-Y100 HydrophobicContact CG-CE1 4.18Å; R20-L113 WeakPolarHBondContact O-CD2 3.5Å; R20-N114 PolarHBondContact NH1-OD1 3.4Å
21K68.6Low69.3Low123 Ų12392.4 Ų92.454%0.53543%0.429SS..EExtended strand (participates in β ladder)trans-156.9131.8-176.1-159.9-174.1170.6-177.50112.8E31K21-E31 HydrophobicContact CB-CB 4.21Å; K21-E31 PolarHBondContact N-O 2.89Å; K21-E31 PolarHBondContact O-N 3.31Å
22F61.8Low70.9Confident92 Ų9282.2 Ų82.240%0.40439%0.391SS..PPolyproline II helixtrans-77.3144.6162.6-55.3-61000110.5W30 L113F22-W30 HydrophobicContact CD1-CE3 4.35Å; F22-W30 HydrophobicContact CD1-CH2 4.32Å; F22-W30 AromaticContact CD1-CZ3 3.67Å; F22-W30 HydrophobicContact CD1-CZ3 3.67Å; F22-W30 AromaticContact CE1-CZ3 3.82Å; F22-W30 HydrophobicContact CE1-CZ3 3.82Å; F22-L113 HydrophobicContact CD2-CD1 3.96Å; F22-L113 HydrophobicContact CD2-CD2 4.45Å; F22-L113 HydrophobicContact CD2-CG 3.98Å; F22-L113 HydrophobicContact CE2-CD1 3.63Å; F22-L113 HydrophobicContact CE2-CD2 4.42Å; F22-L113 HydrophobicContact CE2-CG 3.53Å; F22-L113 HydrophobicContact CZ-CG 3.98Å
23P55.9Low72.4Confident54 Ų5474 Ų7435%0.35135%0.353SS..PPolyproline II helixtrans-58.6141.4165.1-21.333.4000111.2I27 Y29P23-I27 VanDerWaalsContact CG-O 3.32Å; P23-I27 WeakPolarHBondContact CG-O 3.37Å; P23-Y29 WeakPolarHBondContact CD-O 3.34Å; P23-Y29 WeakPolarHBondContact CG-O 3.44Å
24A51.6Low73.5Confident83 Ų8369 Ų6969%0.68633%0.326SS*.SBendtrans-76.2128.2149.300000107.1
25D49.7Very low74Confident126 Ų12666.3 Ų66.367%0.67431%0.313SS*.SBendtrans62.7119.7167.9-53.6-42.4000118.9I27D25-I27 VanDerWaalsContact C-N 3.26Å; D25-I27 VanDerWaalsContact O-CG1 3.23Å; D25-I27 WeakPolarHBondContact O-CG1 3.27Å; D25-I27 PolarHBondContact O-N 3.4Å
26Y52.8Low74.1Confident241 Ų24164.7 Ų64.795%0.94531%0.307SS*.SBendtrans56.9-9.8154.9-78-83.1000121.8
27I57.4Low73.9Confident110 Ų11063.9 Ų63.956%0.56430%0.303SS*.  trans-110.3127.1-175.7-12.3-175000112.8P23 D25 Y29P23-I27 VanDerWaalsContact CG-O 3.32Å; P23-I27 WeakPolarHBondContact CG-O 3.37Å; D25-I27 VanDerWaalsContact C-N 3.26Å; D25-I27 VanDerWaalsContact O-CG1 3.23Å; D25-I27 WeakPolarHBondContact O-CG1 3.27Å; D25-I27 PolarHBondContact O-N 3.4Å; I27-Y29 HydrophobicContact CB-CD2 3.84Å; I27-Y29 HydrophobicContact CB-CE2 4.31Å; I27-Y29 HydrophobicContact CG2-CD2 3.48Å; I27-Y29 VanDerWaalsContact CG2-CD2 3.48Å; I27-Y29 HydrophobicContact CG2-CE2 3.44Å; I27-Y29 VanDerWaalsContact CG2-CE2 3.44Å; I27-Y29 PolarHBondContact O-N 3.49Å
28K72.8Confident73.3Confident103 Ų10369.1 Ų69.145%0.44833%0.327SS..  trans-72.441-173.9-52.5-177.8179.4-179.70115Q104 T105 Q106K28-Q104 CarbonylContact O-C 3.55Å; K28-Q104 VanDerWaalsContact O-CA 3.25Å; K28-Q104 WeakPolarHBondContact O-CA 3.38Å; K28-T105 VanDerWaalsContact CB-O 3.28Å; K28-T105 WeakPolarHBondContact CB-O 3.48Å; K28-T105 WeakPolarHBondContact CD-O 3.42Å; K28-T105 PolarHBondContact O-N 3.03Å; K28-Q106 WeakPolarHBondContact CD-O 3.33Å; K28-Q106 WeakPolarHBondContact CE-O 3.35Å; K28-Q106 PolarHBondContact NZ-O 3.32Å
29Y81.8Confident72.6Confident54 Ų5469.3 Ų69.321%0.21233%0.334CS..EExtended strand (participates in β ladder)trans-102.7155179.9-70.7-90.1000111.4P23 I27 H84 I103 Q104P23-Y29 WeakPolarHBondContact CD-O 3.34Å; P23-Y29 WeakPolarHBondContact CG-O 3.44Å; I27-Y29 HydrophobicContact CB-CD2 3.84Å; I27-Y29 HydrophobicContact CB-CE2 4.31Å; I27-Y29 HydrophobicContact CG2-CD2 3.48Å; I27-Y29 VanDerWaalsContact CG2-CD2 3.48Å; I27-Y29 HydrophobicContact CG2-CE2 3.44Å; I27-Y29 VanDerWaalsContact CG2-CE2 3.44Å; I27-Y29 PolarHBondContact O-N 3.49Å; Y29-H84 HydrophobicContact CD1-CB 4.12Å; Y29-H84 HydrophobicContact CE1-CB 3.54Å; Y29-H84 AromaticContact CE1-CD2 3.99Å; Y29-H84 AromaticContact CE1-CG 3.45Å; Y29-H84 VanDerWaalsContact CE1-CG 3.45Å; Y29-H84 AromaticContact CE1-ND1 3.55Å; Y29-H84 AromaticContact CZ-ND1 3.86Å; Y29-H84 PolarHBondContact OH-ND1 2.89Å; Y29-I103 CarbonylContact C-O 3.46Å; Y29-I103 WeakPolarHBondContact CA-O 3.2Å; Y29-Q104 HydrophobicContact CD1-CB 3.76Å; Y29-Q104 HydrophobicContact CD1-CG 4.12Å; Y29-Q104 HydrophobicContact CD2-CG 4.4Å; Y29-Q104 HydrophobicContact CE1-CB 3.57Å; Y29-Q104 HydrophobicContact CE1-CG 3.8Å; Y29-Q104 HydrophobicContact CE2-CG 4.12Å; Y29-Q104 HydrophobicContact CG-CB 4.45Å; Y29-Q104 HydrophobicContact CG-CG 4.42Å; Y29-Q104 PolarHBondContact OH-OE1 2.96Å
30W83.6Confident72.1Confident29 Ų2971.6 Ų71.611%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-139.1125.2-178.2-60.784000108.6F22 F32 S102 I103 T105 F109F22-W30 HydrophobicContact CD1-CE3 4.35Å; F22-W30 HydrophobicContact CD1-CH2 4.32Å; F22-W30 AromaticContact CD1-CZ3 3.67Å; F22-W30 HydrophobicContact CD1-CZ3 3.67Å; F22-W30 AromaticContact CE1-CZ3 3.82Å; F22-W30 HydrophobicContact CE1-CZ3 3.82Å; W30-F32 HydrophobicContact CB-CD2 4.13Å; W30-F32 HydrophobicContact CB-CE2 3.45Å; W30-F32 VanDerWaalsContact CB-CE2 3.45Å; W30-F32 HydrophobicContact CB-CZ 4.02Å; W30-F32 HydrophobicContact CG-CE2 4.46Å; W30-S102 WeakPolarHBondContact O-CA 3.47Å; W30-I103 PolarHBondContact N-O 3.37Å; W30-I103 PolarHBondContact O-N 2.92Å; W30-T105 PolarHBondContact NE1-OG1 2.92Å; W30-F109 HydrophobicContact CD2-CB 4.12Å; W30-F109 HydrophobicContact CD2-CD1 4.22Å; W30-F109 HydrophobicContact CE3-CB 4.47Å; W30-F109 HydrophobicContact CE3-CD1 4.1Å; W30-F109 HydrophobicContact CH2-CB 4.02Å; W30-F109 WeakPolarHBondContact CH2-O 3.31Å; W30-F109 HydrophobicContact CZ2-CB 3.62Å; W30-F109 HydrophobicContact CZ3-CB 4.4Å; W30-F109 HydrophobicContact CZ3-CD1 4.34Å
31E86.4Confident71.7Confident57 Ų5769.4 Ų69.427%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-95.2115.7174.9-69.5-163.8133.200110.5R20 K21 R87 L101R20-E31 PolarHBondContact N-O 3.48Å; K21-E31 HydrophobicContact CB-CB 4.21Å; K21-E31 PolarHBondContact N-O 2.89Å; K21-E31 PolarHBondContact O-N 3.31Å; E31-R87 IonicContact OE1-NH2 3.41Å; E31-L101 WeakPolarHBondContact CA-O 3.44Å
32F87.1Confident71.5Confident1 Ų167 Ų670%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-109.1148.5176.7-63.5-90.7000110.9L17 Q18 V19 W30 L55 Y100 L101 I103 F109 V117L17-F32 HydrophobicContact CB-CB 4.02Å; L17-F32 HydrophobicContact CB-CD1 3.6Å; L17-F32 HydrophobicContact CB-CE1 4.31Å; L17-F32 HydrophobicContact CB-CG 4.02Å; L17-F32 HydrophobicContact CD1-CB 4.13Å; L17-F32 HydrophobicContact CD1-CD1 4.12Å; L17-F32 HydrophobicContact CD1-CD2 4.26Å; L17-F32 HydrophobicContact CD1-CG 3.93Å; Q18-F32 CarbonylContact O-C 3.57Å; Q18-F32 VanDerWaalsContact O-CA 3.31Å; Q18-F32 WeakPolarHBondContact O-CA 3.46Å; V19-F32 HydrophobicContact CG2-CD1 4.01Å; V19-F32 HydrophobicContact CG2-CE1 3.61Å; W30-F32 HydrophobicContact CB-CD2 4.13Å; W30-F32 HydrophobicContact CB-CE2 3.45Å; W30-F32 VanDerWaalsContact CB-CE2 3.45Å; W30-F32 HydrophobicContact CB-CZ 4.02Å; W30-F32 HydrophobicContact CG-CE2 4.46Å; F32-L55 HydrophobicContact CE2-CD1 4.06Å; F32-L55 HydrophobicContact CZ-CD1 3.84Å; F32-Y100 CarbonylContact O-C 3.6Å; F32-Y100 VanDerWaalsContact O-CA 3.32Å; F32-Y100 WeakPolarHBondContact O-CA 3.37Å; F32-L101 HydrophobicContact CB-CB 4.29Å; F32-L101 PolarHBondContact N-O 2.9Å; F32-L101 PolarHBondContact O-N 3.49Å; F32-I103 HydrophobicContact CD2-CB 4.31Å; F32-I103 HydrophobicContact CD2-CD1 3.73Å; F32-I103 HydrophobicContact CD2-CG1 3.93Å; F32-I103 HydrophobicContact CE2-CB 4.07Å; F32-I103 HydrophobicContact CE2-CD1 3.86Å; F32-I103 HydrophobicContact CE2-CG1 4.12Å; F32-F109 HydrophobicContact CE1-CE1 4.26Å; F32-F109 HydrophobicContact CZ-CD1 4.35Å; F32-F109 AromaticContact CZ-CE1 3.93Å; F32-F109 HydrophobicContact CZ-CE1 3.93Å; F32-V117 HydrophobicContact CE1-CB 4Å; F32-V117 HydrophobicContact CE1-CG1 4.16Å; F32-V117 HydrophobicContact CE1-CG2 4.04Å
33A84.6Confident71.6Confident1 Ų168.3 Ų68.31%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-100.5145.5162.900000111.1Q18 R20 C99 Y100Q18-A33 PolarHBondContact N-O 2.79Å; Q18-A33 PolarHBondContact O-N 3.3Å; R20-A33 HydrophobicContact CG-CB 3.65Å; A33-C99 CarbonylContact C-O 3.56Å; A33-C99 WeakPolarHBondContact CA-O 3.26Å; A33-Y100 HydrophobicContact CB-CE1 4.32Å
34V85.8Confident72.1Confident6 Ų670.7 Ų70.74%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-137.7140.517166.30000109.7L17 L36 C99 L101L17-V34 HydrophobicContact CD2-CB 3.73Å; L17-V34 HydrophobicContact CD2-CG1 4.49Å; L17-V34 HydrophobicContact CD2-CG2 3.91Å; V34-L36 HydrophobicContact CG1-CD1 3.93Å; V34-L36 HydrophobicContact CG1-CG 4.06Å; V34-L36 HydrophobicContact CG2-CD2 3.94Å; V34-L36 HydrophobicContact CG2-CG 4.06Å; V34-C99 HydrophobicContact CG1-CB 3.93Å; V34-C99 PolarHBondContact N-O 2.85Å; V34-C99 PolarHBondContact O-N 2.75Å; V34-L101 HydrophobicContact CB-CD1 4.44Å; V34-L101 HydrophobicContact CG1-CD1 3.88Å
35Y84.1Confident72.9Confident64 Ų6471.1 Ų71.125%0.25134%0.343SS..EExtended strand (participates in β ladder)trans-106.8103.8-178.6-63.1-74000109.7R20 K96 E98R20-Y35 PolarHBondContact NH2-OH 2.83Å; Y35-K96 VanDerWaalsContact O-CD 3.32Å; Y35-K96 WeakPolarHBondContact O-CD 3.04Å; Y35-E98 HydrophobicContact CD1-CB 4.02Å; Y35-E98 HydrophobicContact CD1-CG 4.26Å; Y35-E98 HydrophobicContact CE1-CB 3.7Å; Y35-E98 HydrophobicContact CE1-CG 3.6Å; Y35-E98 WeakPolarHBondContact CE1-OE1 3.17Å; Y35-E98 VanDerWaalsContact CZ-OE1 3.23Å; Y35-E98 PolarHBondContact OH-OE1 3.46Å
36L81.7Confident74.2Confident3 Ų366.6 Ų66.62%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-111.8140.4-172.4-62.9169.5000111.5V34 L41 Y46 F86 K96 T97 C99V34-L36 HydrophobicContact CG1-CD1 3.93Å; V34-L36 HydrophobicContact CG1-CG 4.06Å; V34-L36 HydrophobicContact CG2-CD2 3.94Å; V34-L36 HydrophobicContact CG2-CG 4.06Å; L36-L41 HydrophobicContact CB-CD1 4.48Å; L36-L41 HydrophobicContact CB-CD2 4.11Å; L36-L41 HydrophobicContact CB-CG 4.01Å; L36-L41 HydrophobicContact CD1-CD2 3.74Å; L36-Y46 HydrophobicContact CD1-CD1 4.23Å; L36-Y46 HydrophobicContact CD1-CD2 4.1Å; L36-Y46 HydrophobicContact CD1-CG 3.74Å; L36-F86 HydrophobicContact CD1-CE2 4.29Å; L36-F86 HydrophobicContact CD1-CZ 4.38Å; L36-K96 CarbonylContact O-C 3.48Å; L36-K96 WeakPolarHBondContact O-CA 3.47Å; L36-T97 PolarHBondContact N-O 2.69Å; L36-T97 VanDerWaalsContact N-O 3.08Å; L36-T97 PolarHBondContact O-N 2.94Å; L36-C99 HydrophobicContact CD1-CB 4.47Å
37E79Confident75.7Confident80 Ų8055.1 Ų55.137%0.37427%0.271SS..  trans-71.4152.8170.1-69.1169.3-151.800111.2C39 E40 L41 K96E37-C39 PolarHBondContact O-N 3.25Å; E37-C39 VanDerWaalsContact O-N 3.16Å; E37-E40 HydrophobicContact CB-CG 4.15Å; E37-E40 WeakPolarHBondContact CB-OE2 3.34Å; E37-E40 PolarHBondContact N-OE2 3.48Å; E37-E40 PolarHBondContact O-N 3.24Å; E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 3.36Å; E37-K96 HydrophobicContact CG-CD 3.94Å; E37-K96 HydrophobicContact CG-CG 3.93Å; E37-K96 WeakPolarHBondContact OE1-CE 3.49Å; E37-K96 IonicContact OE1-NZ 3.88Å; E37-K96 PolarHBondContact OE1-NZ 2.79Å
38E72.4Confident76.8Confident110 Ų11052.8 Ų52.851%0.51426%0.257SS..Hα-helixtrans-58.3-29.7173.6-68-125.9104.100112.3A42 R88E38-A42 VanDerWaalsContact O-CB 3.28Å; E38-A42 WeakPolarHBondContact O-CB 3.28Å; E38-A42 PolarHBondContact O-N 3.11Å; E38-R88 IonicContact OE1-CZ 2.72Å; E38-R88 VanDerWaalsContact OE1-CZ 3.22Å; E38-R88 IonicContact OE1-NH1 2.77Å; E38-R88 PolarHBondContact OE1-NH1 3.37Å; E38-R88 IonicContact OE1-NH2 2.68Å; E38-R88 PolarHBondContact OE1-NH2 3.46Å
39C67.9Low77.4Confident53 Ų5352.2 Ų52.236%0.35826%0.256SS..Hα-helixtrans-70-36176.4100.40000112.4E37 K43E37-C39 PolarHBondContact O-N 3.25Å; E37-C39 VanDerWaalsContact O-N 3.16Å; C39-K43 VanDerWaalsContact O-CB 3.27Å; C39-K43 WeakPolarHBondContact O-CB 3.32Å; C39-K43 VanDerWaalsContact O-CD 3.3Å; C39-K43 WeakPolarHBondContact O-CD 3.44Å; C39-K43 WeakPolarHBondContact O-CG 3.49Å; C39-K43 PolarHBondContact O-N 3.08Å; C39-K43 PolarHBondContact SG-NZ 3.18Å; C39-K43 VanDerWaalsContact SG-NZ 3.43Å
40E70.8Confident77.6Confident49 Ų4951.3 Ų51.323%0.22926%0.255CS..Hα-helixtrans-69.9-43.2175.8-63.4173.6120.300110.3E37 K43 Q44 L45 K96E37-E40 HydrophobicContact CB-CG 4.15Å; E37-E40 WeakPolarHBondContact CB-OE2 3.34Å; E37-E40 PolarHBondContact N-OE2 3.48Å; E37-E40 PolarHBondContact O-N 3.24Å; E40-K43 PolarHBondContact O-N 3.24Å; E40-Q44 WeakPolarHBondContact O-CA 3.22Å; E40-Q44 PolarHBondContact O-N 3.4Å; E40-L45 PolarHBondContact O-N 2.94Å; E40-K96 IonicContact OE2-NZ 2.78Å
41L70.3Confident77.8Confident18 Ų1850.3 Ų50.39%0.09425%0.252CS..Hα-helixtrans-60.7-46.2174.9-68.9171.5000112.1L36 E37 Q44 Y46 F86L36-L41 HydrophobicContact CB-CD1 4.48Å; L36-L41 HydrophobicContact CB-CD2 4.11Å; L36-L41 HydrophobicContact CB-CG 4.01Å; L36-L41 HydrophobicContact CD1-CD2 3.74Å; E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 3.36Å; L41-Q44 WeakPolarHBondContact O-CG 3.33Å; L41-Q44 PolarHBondContact O-N 3.35Å; L41-Y46 HydrophobicContact CD2-CD1 4.14Å; L41-Y46 HydrophobicContact CD2-CE1 3.85Å; L41-F86 HydrophobicContact CD2-CZ 4Å
42A64.3Low77.9Confident72 Ų7249.2 Ų49.260%0.59525%0.247SC*.Hα-helixtrans-71-37.4179.100000113.2E38 Q44 K292E38-A42 VanDerWaalsContact O-CB 3.28Å; E38-A42 WeakPolarHBondContact O-CB 3.28Å; E38-A42 PolarHBondContact O-N 3.11Å; A42-Q44 PolarHBondContact O-N 2.78Å; A42-K292 PolarHBondContact O-NZ 3.43Å
43K63.8Low78Confident120 Ų12049.1 Ų49.152%0.52225%0.247SC..Hα-helixtrans-67.6-27.1170.7-68.7165.4-171.9165.70111.3C39 E40 L45 K292C39-K43 VanDerWaalsContact O-CB 3.27Å; C39-K43 WeakPolarHBondContact O-CB 3.32Å; C39-K43 VanDerWaalsContact O-CD 3.3Å; C39-K43 WeakPolarHBondContact O-CD 3.44Å; C39-K43 WeakPolarHBondContact O-CG 3.49Å; C39-K43 PolarHBondContact O-N 3.08Å; C39-K43 PolarHBondContact SG-NZ 3.18Å; C39-K43 VanDerWaalsContact SG-NZ 3.43Å; E40-K43 PolarHBondContact O-N 3.24Å; K43-L45 HydrophobicContact CB-CD1 3.8Å; K43-L45 HydrophobicContact CB-CG 3.76Å; K43-L45 HydrophobicContact CD-CD1 3.8Å; K43-L45 HydrophobicContact CG-CD1 4.39Å; K43-K292 PolarHBondContact O-NZ 2.92Å
44Q67.1Low78.1Confident104 Ų10449.4 Ų49.449%0.48625%0.248SC..THydrogen-bonded Turntrans6543.2-169.2-58.7-175-6.800113.4E40 L41 A42 Y46 K48E40-Q44 WeakPolarHBondContact O-CA 3.22Å; E40-Q44 PolarHBondContact O-N 3.4Å; L41-Q44 WeakPolarHBondContact O-CG 3.33Å; L41-Q44 PolarHBondContact O-N 3.35Å; A42-Q44 PolarHBondContact O-N 2.78Å; Q44-Y46 HydrophobicContact CB-CE1 4.22Å; Q44-Y46 HydrophobicContact CG-CE1 4.35Å; Q44-Y46 PolarHBondContact O-N 3.11Å; Q44-K48 HydrophobicContact CB-CD 4.25Å; Q44-K48 WeakPolarHBondContact O-CE 3.39Å; Q44-K48 PolarHBondContact O-NZ 2.82Å
45L67.1Low78.2Confident93 Ų9349.1 Ų49.149%0.48725%0.246SC..  trans-95.173.7173.9-60.5172.7000108.5Y15 E40 K43Y15-L45 VanDerWaalsContact CE1-O 3.26Å; Y15-L45 WeakPolarHBondContact CE1-O 3.33Å; Y15-L45 PolarHBondContact OH-O 3.46Å; E40-L45 PolarHBondContact O-N 2.94Å; K43-L45 HydrophobicContact CB-CD1 3.8Å; K43-L45 HydrophobicContact CB-CG 3.76Å; K43-L45 HydrophobicContact CD-CD1 3.8Å; K43-L45 HydrophobicContact CG-CD1 4.39Å
46Y78.8Confident78.2Confident31 Ų3146.5 Ų46.512%0.12224%0.238CC..SBendtrans-164.7158.2176.463.4-87.7000109.7Y15 L36 L41 Q44 K48 F86Y15-Y46 PolarHBondContact OH-N 2.93Å; L36-Y46 HydrophobicContact CD1-CD1 4.23Å; L36-Y46 HydrophobicContact CD1-CD2 4.1Å; L36-Y46 HydrophobicContact CD1-CG 3.74Å; L41-Y46 HydrophobicContact CD2-CD1 4.14Å; L41-Y46 HydrophobicContact CD2-CE1 3.85Å; Q44-Y46 HydrophobicContact CB-CE1 4.22Å; Q44-Y46 HydrophobicContact CG-CE1 4.35Å; Q44-Y46 PolarHBondContact O-N 3.11Å; Y46-K48 HydrophobicContact CD2-CG 4.03Å; Y46-K48 HydrophobicContact CE2-CD 4.34Å; Y46-K48 HydrophobicContact CE2-CG 3.51Å; Y46-K48 WeakPolarHBondContact O-CE 3.27Å; Y46-K48 PolarHBondContact O-N 3.08Å; Y46-F86 AromaticContact CD2-CD2 3.98Å; Y46-F86 HydrophobicContact CD2-CD2 3.98Å; Y46-F86 AromaticContact CD2-CE2 3.51Å; Y46-F86 HydrophobicContact CD2-CE2 3.51Å; Y46-F86 AromaticContact CD2-CZ 3.81Å; Y46-F86 HydrophobicContact CD2-CZ 3.81Å; Y46-F86 AromaticContact CE2-CD1 3.92Å; Y46-F86 HydrophobicContact CE2-CD1 3.92Å; Y46-F86 AromaticContact CE2-CD2 3.72Å; Y46-F86 HydrophobicContact CE2-CD2 3.72Å; Y46-F86 AromaticContact CE2-CE1 3.6Å; Y46-F86 HydrophobicContact CE2-CE1 3.6Å; Y46-F86 AromaticContact CE2-CE2 3.38Å; Y46-F86 HydrophobicContact CE2-CE2 3.38Å; Y46-F86 AromaticContact CE2-CG 3.98Å; Y46-F86 HydrophobicContact CE2-CG 3.98Å; Y46-F86 AromaticContact CE2-CZ 3.31Å; Y46-F86 HydrophobicContact CE2-CZ 3.31Å; Y46-F86 AromaticContact CZ-CE1 3.96Å; Y46-F86 AromaticContact CZ-CZ 3.88Å
47P82.4Confident78.1Confident0 Ų047.5 Ų47.50%024%0.244CC..  trans-62.3127.5175.6-19.531.6000111.3Y15 V53 V83 L101 V121Y15-P47 HydrophobicContact CD2-CG 3.85Å; Y15-P47 HydrophobicContact CE2-CG 4.35Å; Y15-P47 HydrophobicContact CG-CG 4.24Å; P47-V53 HydrophobicContact CB-CG1 4.32Å; P47-V83 HydrophobicContact CB-CG2 4.18Å; P47-L101 HydrophobicContact CB-CD1 4.41Å; P47-L101 HydrophobicContact CB-CD2 4.32Å; P47-L101 HydrophobicContact CG-CD1 4.41Å; P47-L101 WeakPolarHBondContact O-CD2 3.4Å; P47-V121 HydrophobicContact CB-CG2 3.91Å; P47-V121 HydrophobicContact CG-CG2 3.79Å
48K82.3Confident77.8Confident60 Ų6047 Ų4726%0.26124%0.242SC..  trans-113.2162-175.8-84.5155.2-82.9172.20112.6Q44 Y46 N50 D51 V83Q44-K48 HydrophobicContact CB-CD 4.25Å; Q44-K48 WeakPolarHBondContact O-CE 3.39Å; Q44-K48 PolarHBondContact O-NZ 2.82Å; Y46-K48 HydrophobicContact CD2-CG 4.03Å; Y46-K48 HydrophobicContact CE2-CD 4.34Å; Y46-K48 HydrophobicContact CE2-CG 3.51Å; Y46-K48 WeakPolarHBondContact O-CE 3.27Å; Y46-K48 PolarHBondContact O-N 3.08Å; K48-N50 PolarHBondContact O-N 3.37Å; K48-D51 WeakPolarHBondContact CB-OD2 3.41Å; K48-D51 PolarHBondContact N-OD2 3.45Å; K48-D51 VanDerWaalsContact O-CB 3.23Å; K48-D51 WeakPolarHBondContact O-CB 3.26Å; K48-D51 PolarHBondContact O-N 2.96Å; K48-V83 VanDerWaalsContact O-CB 3.25Å; K48-V83 WeakPolarHBondContact O-CB 3.46Å; K48-V83 VanDerWaalsContact O-CG1 3.31Å; K48-V83 WeakPolarHBondContact O-CG1 3.24Å
49E84.6Confident77.1Confident91 Ų9150.7 Ų50.743%0.42525%0.251SS..THydrogen-bonded Turntrans-52130.2172.4-165.2177.7117.400111.1V83 H84E49-V83 WeakPolarHBondContact CA-O 3.46Å; E49-H84 WeakPolarHBondContact CG-O 3.36Å
50N86.3Confident76Confident35 Ų3555.2 Ų55.219%0.18727%0.27CS..THydrogen-bonded Turntrans75.58.7-172.3-40.4-85000116.3K48 Y82 V83 L125 V126 Q129K48-N50 PolarHBondContact O-N 3.37Å; N50-Y82 HydrophobicContact CB-CE2 4.34Å; N50-Y82 PolarHBondContact OD1-OH 2.9Å; N50-V83 PolarHBondContact N-O 2.83Å; N50-L125 WeakPolarHBondContact O-CB 3.15Å; N50-L125 PolarHBondContact O-N 3.04Å; N50-V126 HydrophobicContact CB-CG2 3.7Å; N50-Q129 VanDerWaalsContact CG-OE1 3.24Å; N50-Q129 PolarHBondContact OD1-NE2 3.25Å; N50-Q129 PolarHBondContact OD1-OE1 3.43Å
51D88.2Confident74.4Confident9 Ų960.6 Ų60.65%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-80.7142.7170.5-66.7-18000112K48 V83 V121 S124K48-D51 WeakPolarHBondContact CB-OD2 3.41Å; K48-D51 PolarHBondContact N-OD2 3.45Å; K48-D51 VanDerWaalsContact O-CB 3.23Å; K48-D51 WeakPolarHBondContact O-CB 3.26Å; K48-D51 PolarHBondContact O-N 2.96Å; D51-V83 HydrophobicContact CB-CG2 4.47Å; D51-V83 PolarHBondContact O-N 3.42Å; D51-V121 HydrophobicContact CB-CG1 4.22Å; D51-S124 WeakPolarHBondContact OD1-CA 3.33Å; D51-S124 WeakPolarHBondContact OD1-CB 3.15Å; D51-S124 PolarHBondContact OD1-OG 2.8Å
52L87.9Confident72.7Confident33 Ų3368.2 Ų68.217%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-91.1130.4168.6-170.879.1000108.7V1 G81 I122 S123 L125V1-L52 HydrophobicContact CG1-CD2 4.35Å; L52-G81 WeakPolarHBondContact CD1-O 3.33Å; L52-I122 HydrophobicContact CD2-CB 4.5Å; L52-I122 HydrophobicContact CD2-CD1 4.03Å; L52-I122 HydrophobicContact CG-CD1 4.09Å; L52-I122 WeakPolarHBondContact O-CB 3.43Å; L52-I122 PolarHBondContact O-N 3.19Å; L52-S123 PolarHBondContact N-O 2.98Å; L52-S123 PolarHBondContact O-N 2.63Å; L52-L125 HydrophobicContact CB-CD1 4.33Å; L52-L125 HydrophobicContact CB-CD2 4.3Å; L52-L125 HydrophobicContact CB-CG 4.15Å; L52-L125 HydrophobicContact CD1-CD1 4.35Å
53V88.4Confident71.7Confident0 Ų072.9 Ų72.90%035%0.345CS..EExtended strand (participates in β ladder)trans-128.7157.5-174.9-61.80000111.7P47 L55 G81 V83 I103 I120 V121P47-V53 HydrophobicContact CB-CG1 4.32Å; V53-L55 HydrophobicContact CG2-CD2 4.31Å; V53-L55 HydrophobicContact CG2-CG 4.46Å; V53-G81 WeakPolarHBondContact CG2-O 3.45Å; V53-G81 PolarHBondContact N-O 3.4Å; V53-G81 PolarHBondContact O-N 3.12Å; V53-V83 HydrophobicContact CG1-CG2 3.72Å; V53-V83 HydrophobicContact CG2-CG2 4.21Å; V53-I103 HydrophobicContact CG2-CD1 4.43Å; V53-I103 HydrophobicContact CG2-CG2 3.9Å; V53-I120 CarbonylContact C-O 3.59Å; V53-I120 WeakPolarHBondContact CA-O 3.48Å; V53-I120 WeakPolarHBondContact CB-O 3.45Å; V53-V121 HydrophobicContact CG1-CG2 4.26Å
54F88.1Confident70.3Confident6 Ų677.1 Ų77.13%0.02636%0.364CS..EExtended strand (participates in β ladder)trans-100.1146.2155.6-74-57.3000109.7A2 W5 L6 Y78 H79 C119 I120 I122A2-F54 HydrophobicContact CB-CE1 4.33Å; A2-F54 HydrophobicContact CB-CZ 3.84Å; W5-F54 HydrophobicContact CB-CE2 4.49Å; W5-F54 HydrophobicContact CD2-CD2 4.33Å; W5-F54 HydrophobicContact CD2-CE2 4.04Å; W5-F54 AromaticContact CE3-CD2 3.79Å; W5-F54 HydrophobicContact CE3-CD2 3.79Å; W5-F54 AromaticContact CE3-CE2 3.47Å; W5-F54 HydrophobicContact CE3-CE2 3.47Å; W5-F54 VanDerWaalsContact CE3-CE2 3.47Å; W5-F54 HydrophobicContact CG-CE2 4.47Å; W5-F54 AromaticContact CZ3-CD2 3.97Å; W5-F54 HydrophobicContact CZ3-CD2 3.97Å; W5-F54 HydrophobicContact CZ3-CE2 4.06Å; L6-F54 HydrophobicContact CD1-CZ 4.07Å; L6-F54 HydrophobicContact CD2-CE2 4.15Å; L6-F54 HydrophobicContact CD2-CZ 4.04Å; L6-F54 HydrophobicContact CG-CE2 4.18Å; L6-F54 HydrophobicContact CG-CZ 3.85Å; F54-Y78 HydrophobicContact CB-CD1 3.96Å; F54-Y78 HydrophobicContact CB-CG 4.44Å; F54-Y78 HydrophobicContact CG-CD1 4.38Å; F54-Y78 HydrophobicContact CG-CG 4.41Å; F54-H79 WeakPolarHBondContact CA-O 3.09Å; F54-C119 WeakPolarHBondContact O-CA 3.5Å; F54-I120 HydrophobicContact CB-CB 4.49Å; F54-I120 PolarHBondContact N-O 3.13Å; F54-I120 PolarHBondContact O-N 2.7Å; F54-I122 HydrophobicContact CB-CD1 4.49Å; F54-I122 HydrophobicContact CD1-CD1 3.96Å; F54-I122 HydrophobicContact CD2-CD1 3.36Å; F54-I122 HydrophobicContact CD2-CG1 3.6Å; F54-I122 HydrophobicContact CE1-CD1 4Å; F54-I122 HydrophobicContact CE2-CD1 3.38Å; F54-I122 HydrophobicContact CE2-CG1 3.89Å; F54-I122 HydrophobicContact CG-CD1 3.65Å; F54-I122 HydrophobicContact CG-CG1 4.16Å; F54-I122 HydrophobicContact CZ-CD1 3.73Å
55L86.6Confident68.8Low0 Ų080 Ų800%038%0.375CS..EExtended strand (participates in β ladder)trans-119.5126172.8-60.9179.2000108.5L17 F32 V53 H79 I103 T105 F109 V117 C119L17-L55 HydrophobicContact CD1-CD2 4.22Å; F32-L55 HydrophobicContact CE2-CD1 4.06Å; F32-L55 HydrophobicContact CZ-CD1 3.84Å; V53-L55 HydrophobicContact CG2-CD2 4.31Å; V53-L55 HydrophobicContact CG2-CG 4.46Å; L55-H79 PolarHBondContact N-O 3.46Å; L55-H79 PolarHBondContact O-N 2.62Å; L55-I103 HydrophobicContact CD1-CG2 4.29Å; L55-I103 HydrophobicContact CD2-CD1 4.12Å; L55-T105 HydrophobicContact CD1-CG2 4.12Å; L55-F109 HydrophobicContact CB-CD2 4.36Å; L55-F109 HydrophobicContact CB-CE2 3.57Å; L55-F109 HydrophobicContact CB-CZ 3.8Å; L55-F109 HydrophobicContact CD1-CD2 4.44Å; L55-F109 HydrophobicContact CD1-CE1 4.38Å; L55-F109 HydrophobicContact CD1-CE2 4.23Å; L55-F109 HydrophobicContact CD1-CZ 4.22Å; L55-V117 HydrophobicContact CB-CG1 3.94Å; L55-V117 HydrophobicContact CD2-CG1 4.02Å; L55-V117 HydrophobicContact CG-CG1 4.47Å; L55-C119 HydrophobicContact CD2-CB 3.89Å
56A85.3Confident67.4Low9 Ų982.6 Ų82.67%0.07439%0.389CS..EExtended strand (participates in β ladder)trans-121.2118172.900000109.4Y78 N118A56-Y78 HydrophobicContact CB-CD1 4.07Å; A56-Y78 HydrophobicContact CB-CE1 4.13Å; A56-N118 PolarHBondContact N-O 3.08Å; A56-N118 PolarHBondContact O-N 3.26Å
57P79.3Confident65.3Low24 Ų2487.5 Ų87.516%0.15642%0.423CS..EExtended strand (participates in β ladder)trans-61136.5172.8-2132.8000111.3R59 F109P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.49Å; P57-F109 HydrophobicContact CG-CE2 3.91Å; P57-F109 HydrophobicContact CG-CZ 3.93Å
58E71.9Confident63.1Low70 Ų7095.3 Ų95.333%0.32746%0.459SS..  trans-82.375.2177.9-164.9157.5-108.500109.3Q16 I60 L116 N118Q16-E58 PolarHBondContact NE2-OE1 3.44Å; Q16-E58 PolarHBondContact NE2-OE2 3.02Å; Q16-E58 VanDerWaalsContact NE2-OE2 3.1Å; E58-I60 PolarHBondContact O-N 3.42Å; E58-L116 HydrophobicContact CB-CB 4.37Å; E58-L116 VanDerWaalsContact CB-O 3.27Å; E58-L116 WeakPolarHBondContact CB-O 3.28Å; E58-L116 PolarHBondContact N-O 3.32Å; E58-L116 VanDerWaalsContact N-O 3.1Å; E58-L116 WeakPolarHBondContact OE2-CB 3.48Å; E58-N118 PolarHBondContact OE1-ND2 3.39Å
59R58.8Low61.1Low187 Ų187104 Ų10471%0.70649%0.49SS*.  trans-52112.2-178.2-70.8-169.8-175.3-177.54.3110.1P57 N61 E77P57-R59 VanDerWaalsContact C-N 3.28Å; P57-R59 PolarHBondContact O-N 3.49Å; R59-N61 PolarHBondContact O-N 3.28Å; R59-E77 IonicContact NH2-OE2 2.67Å; R59-E77 PolarHBondContact NH2-OE2 2.89Å
60I44.4Very low58.6Low148 Ų148105.7 Ų105.776%0.75950%0.502SS*.  trans-65.4123.9175.7-60.5175000107.7E58 E62E58-I60 PolarHBondContact O-N 3.42Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 2.91Å
61N36.3Very low56.1Low162 Ų162112.4 Ų112.487%0.86654%0.538SS*.  trans-72.585.2177-84.7-20.1000110.7R59 E63R59-N61 PolarHBondContact O-N 3.28Å; N61-E63 PolarHBondContact O-N 3.39Å
62E35.8Very low53.6Low179 Ų179118.9 Ų118.984%0.83657%0.571SS**  trans-71.5114.3159.9-68.2-168.315500109.4I60I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 2.91Å
63E42.5Very low51.2Low169 Ų169125.3 Ų125.379%0.7960%0.6SS**  trans10.499.7172.7-57.3-159.6130.500119.1N61N61-E63 PolarHBondContact O-N 3.39Å
64K33.5Very low48.9Very low209 Ų209132.2 Ų132.291%0.90964%0.637SS**  trans-126.2111.1141.8-74.5-165.1174.7-175.70111.2
65K36Very low46.8Very low166 Ų166139.6 Ų139.672%0.72268%0.676SS**  trans-73.1146165.6-70.2171.8179.5164.20109.8
66D37.4Very low45.4Very low146 Ų146144.6 Ų144.678%0.78170%0.699SS**  trans32.890.2147.9-51.8-45.4000118
67T35.1Very low44.7Very low135 Ų135148.9 Ų148.983%0.82872%0.718SS**  -161.7145.5122.76.70000113.1
68E35.8Very low44.7Very low163 Ų163151.5 Ų151.576%0.76273%0.725SS**  trans48113.6158.2-59.4-170.216900120.6N70E68-N70 PolarHBondContact O-N 2.89Å
69R41.2Very low45.3Very low244 Ų244149 Ų14992%0.92171%0.713SS**  trans-59.1125.9155-75.6173.8165.6169.6-6.6110.2
70N31.1Very low46.6Very low125 Ų125142.1 Ų142.167%0.66869%0.693SS**  trans-138.3133.7152.2-85.7-64.8000108.6E68 I72E68-N70 PolarHBondContact O-N 2.89Å; N70-I72 PolarHBondContact O-N 3.08Å
71D35.6Very low48.7Very low177 Ų177135.1 Ų135.195%0.94766%0.658SS**  trans-76.867.3-174.6-72.3-66.1000112.3
72I34.3Very low51.1Low144 Ų144129.4 Ų129.474%0.73863%0.625SS**  trans-100.5130.2165.4-59.3-179.6000107.7N70 D74N70-I72 PolarHBondContact O-N 3.08Å; I72-D74 PolarHBondContact O-N 3.32Å
73Q38.1Very low53.6Low169 Ų169120.9 Ų120.979%0.7959%0.585SS**  trans-62.9129.8-176-65.4169.9-15.300111.2L75Q73-L75 VanDerWaalsContact C-N 3.32Å; Q73-L75 PolarHBondContact O-N 2.94Å
74D40.1Very low55.7Low145 Ų145116.7 Ų116.778%0.77557%0.565SS**  trans-59.493.3168.1-76.8-54.1000110.4I72 H76I72-D74 PolarHBondContact O-N 3.32Å; D74-H76 PolarHBondContact O-N 2.96Å
75L44.4Very low58.2Low160 Ų160111 Ų11184%0.83854%0.541SS*.  trans-71.577.7171.7-85.7149.9000109.2Q73 E77Q73-L75 VanDerWaalsContact C-N 3.32Å; Q73-L75 PolarHBondContact O-N 2.94Å; L75-E77 PolarHBondContact O-N 3.35Å
76H56.2Low60.5Low106 Ų106105 Ų10549%0.49151%0.514SS..  trans-54.7125.6163.4-69.210.1000108.9D74 Y78D74-H76 PolarHBondContact O-N 2.96Å; H76-Y78 HydrophobicContact CB-CD2 4.33Å; H76-Y78 HydrophobicContact CB-CE1 4.19Å; H76-Y78 HydrophobicContact CB-CE2 3.78Å; H76-Y78 WeakPolarHBondContact O-CD2 3.14Å; H76-Y78 PolarHBondContact O-N 3.21Å
77E70.4Confident62.6Low99 Ų99104 Ų10446%0.46350%0.5SS..  trans-77.588.3-175.3-158.2174.7169.200109.6R59 L75 H79R59-E77 IonicContact NH2-OE2 2.67Å; R59-E77 PolarHBondContact NH2-OE2 2.89Å; L75-E77 PolarHBondContact O-N 3.35Å; E77-H79 PolarHBondContact O-CD2 2.84Å; E77-H79 PolarHBondContact O-N 3.01Å; E77-H79 IonicContact OE1-CE1 3.65Å; E77-H79 IonicContact OE1-NE2 2.82Å
78Y79.8Confident64.8Low78 Ų78103.1 Ų103.131%0.30648%0.481SS..  trans-81.592.4-175.1-68.3-67.7000111.9L6 F54 A56 H76 I120L6-Y78 HydrophobicContact CD2-CD2 3.88Å; L6-Y78 HydrophobicContact CD2-CG 4.48Å; F54-Y78 HydrophobicContact CB-CD1 3.96Å; F54-Y78 HydrophobicContact CB-CG 4.44Å; F54-Y78 HydrophobicContact CG-CD1 4.38Å; F54-Y78 HydrophobicContact CG-CG 4.41Å; A56-Y78 HydrophobicContact CB-CD1 4.07Å; A56-Y78 HydrophobicContact CB-CE1 4.13Å; H76-Y78 HydrophobicContact CB-CD2 4.33Å; H76-Y78 HydrophobicContact CB-CE1 4.19Å; H76-Y78 HydrophobicContact CB-CE2 3.78Å; H76-Y78 WeakPolarHBondContact O-CD2 3.14Å; H76-Y78 PolarHBondContact O-N 3.21Å; Y78-I120 HydrophobicContact CE1-CD1 3.82Å
79H83.8Confident66.6Low19 Ų1997 Ų979%0.08846%0.455CS..EExtended strand (participates in β ladder)trans-73.4130.2173.9-56.4-83.3000110.4F54 L55 E77 F109 P110F54-H79 WeakPolarHBondContact CA-O 3.09Å; L55-H79 PolarHBondContact N-O 3.46Å; L55-H79 PolarHBondContact O-N 2.62Å; E77-H79 PolarHBondContact O-CD2 2.84Å; E77-H79 PolarHBondContact O-N 3.01Å; E77-H79 IonicContact OE1-CE1 3.65Å; E77-H79 IonicContact OE1-NE2 2.82Å; H79-F109 HydrophobicContact CB-CD2 3.7Å; H79-F109 HydrophobicContact CB-CE2 4.04Å; H79-F109 AromaticContact CD2-CD2 3.6Å; H79-F109 AromaticContact CD2-CE2 3.6Å; H79-F109 AromaticContact CG-CD2 3.66Å; H79-P110 VanDerWaalsContact CE1-CD 3.5Å; H79-P110 WeakPolarHBondContact CE1-CD 3.08Å; H79-P110 WeakPolarHBondContact NE2-CD 3.19Å; H79-P110 WeakPolarHBondContact NE2-CG 3.42Å
80S86.8Confident67.8Low41 Ų4191.1 Ų91.129%0.28745%0.452SS..EExtended strand (participates in β ladder)trans-78.4135.3178.771.80000111.8
81G87.9Confident69.6Low2 Ų288.4 Ų88.42%0.02144%0.439CS..EExtended strand (participates in β ladder)trans-134.5153.2-178.300000112.8L52 V53 Q104L52-G81 WeakPolarHBondContact CD1-O 3.33Å; V53-G81 WeakPolarHBondContact CG2-O 3.45Å; V53-G81 PolarHBondContact N-O 3.4Å; V53-G81 PolarHBondContact O-N 3.12Å; G81-Q104 CarbonylContact C-O 3.57Å; G81-Q104 VanDerWaalsContact CA-O 3.3Å; G81-Q104 WeakPolarHBondContact CA-O 3.35Å
82Y88.1Confident71.1Confident42 Ų4285.9 Ų85.917%0.16542%0.423CS..EExtended strand (participates in β ladder)trans-123.4118.4176.4166.1-99.2000109.5N50 H84 I103 Q104 L125 Q129N50-Y82 HydrophobicContact CB-CE2 4.34Å; N50-Y82 PolarHBondContact OD1-OH 2.9Å; Y82-H84 HydrophobicContact CD1-CB 4.17Å; Y82-H84 HydrophobicContact CE1-CB 3.91Å; Y82-H84 PolarHBondContact O-N 3.16Å; Y82-I103 CarbonylContact O-C 3.57Å; Y82-I103 WeakPolarHBondContact O-CA 3.36Å; Y82-Q104 HydrophobicContact CD1-CB 4.24Å; Y82-Q104 PolarHBondContact N-O 2.91Å; Y82-Q104 PolarHBondContact O-N 3.22Å; Y82-L125 HydrophobicContact CD2-CD1 3.87Å; Y82-L125 HydrophobicContact CE2-CD1 4.13Å; Y82-Q129 PolarHBondContact OH-NE2 2.97Å
83V88.4Confident72.6Confident0 Ų086.2 Ų86.20%042%0.415CS..EExtended strand (participates in β ladder)trans-74.597.5-178.1-176.90000109.4P47 K48 E49 N50 D51 V53 L101 I103P47-V83 HydrophobicContact CB-CG2 4.18Å; K48-V83 VanDerWaalsContact O-CB 3.25Å; K48-V83 WeakPolarHBondContact O-CB 3.46Å; K48-V83 VanDerWaalsContact O-CG1 3.31Å; K48-V83 WeakPolarHBondContact O-CG1 3.24Å; E49-V83 WeakPolarHBondContact CA-O 3.46Å; N50-V83 PolarHBondContact N-O 2.83Å; D51-V83 HydrophobicContact CB-CG2 4.47Å; D51-V83 PolarHBondContact O-N 3.42Å; V53-V83 HydrophobicContact CG1-CG2 3.72Å; V53-V83 HydrophobicContact CG2-CG2 4.21Å; V83-L101 HydrophobicContact CG1-CD2 3.47Å; V83-L101 VanDerWaalsContact CG1-CD2 3.47Å; V83-I103 HydrophobicContact CG2-CD1 4.34Å; V83-I103 HydrophobicContact CG2-CG1 4.23Å
84H86.1Confident74Confident80 Ų8086.3 Ų86.337%0.3742%0.421SS..EExtended strand (participates in β ladder)trans-78.1-28-177.4178.9100.2000113.4Y29 E49 Y82 S102Y29-H84 HydrophobicContact CD1-CB 4.12Å; Y29-H84 HydrophobicContact CE1-CB 3.54Å; Y29-H84 AromaticContact CE1-CD2 3.99Å; Y29-H84 AromaticContact CE1-CG 3.45Å; Y29-H84 VanDerWaalsContact CE1-CG 3.45Å; Y29-H84 AromaticContact CE1-ND1 3.55Å; Y29-H84 AromaticContact CZ-ND1 3.86Å; Y29-H84 PolarHBondContact OH-ND1 2.89Å; E49-H84 WeakPolarHBondContact CG-O 3.36Å; Y82-H84 HydrophobicContact CD1-CB 4.17Å; Y82-H84 HydrophobicContact CE1-CB 3.91Å; Y82-H84 PolarHBondContact O-N 3.16Å; H84-S102 PolarHBondContact N-O 3.47Å
85K84.9Confident75.4Confident91 Ų9182.2 Ų82.240%0.39641%0.413SS..EExtended strand (participates in β ladder)trans-156.1141.1179.7-160162.7-172.4164.60112.8R87 S102K85-R87 HydrophobicContact CG-CG 4.3Å; K85-S102 PolarHBondContact N-O 2.87Å; K85-S102 PolarHBondContact O-N 3.36Å
86F85.4Confident76.8Confident38 Ų3877.6 Ų77.617%0.16739%0.386CS..EExtended strand (participates in β ladder)trans-117.4136.5168.1178.2-95.6000110.2L36 L41 Y46 R88 C99 Y100 L101L36-F86 HydrophobicContact CD1-CE2 4.29Å; L36-F86 HydrophobicContact CD1-CZ 4.38Å; L41-F86 HydrophobicContact CD2-CZ 4Å; Y46-F86 AromaticContact CD2-CD2 3.98Å; Y46-F86 HydrophobicContact CD2-CD2 3.98Å; Y46-F86 AromaticContact CD2-CE2 3.51Å; Y46-F86 HydrophobicContact CD2-CE2 3.51Å; Y46-F86 AromaticContact CD2-CZ 3.81Å; Y46-F86 HydrophobicContact CD2-CZ 3.81Å; Y46-F86 AromaticContact CE2-CD1 3.92Å; Y46-F86 HydrophobicContact CE2-CD1 3.92Å; Y46-F86 AromaticContact CE2-CD2 3.72Å; Y46-F86 HydrophobicContact CE2-CD2 3.72Å; Y46-F86 AromaticContact CE2-CE1 3.6Å; Y46-F86 HydrophobicContact CE2-CE1 3.6Å; Y46-F86 AromaticContact CE2-CE2 3.38Å; Y46-F86 HydrophobicContact CE2-CE2 3.38Å; Y46-F86 AromaticContact CE2-CG 3.98Å; Y46-F86 HydrophobicContact CE2-CG 3.98Å; Y46-F86 AromaticContact CE2-CZ 3.31Å; Y46-F86 HydrophobicContact CE2-CZ 3.31Å; Y46-F86 AromaticContact CZ-CE1 3.96Å; Y46-F86 AromaticContact CZ-CZ 3.88Å; F86-R88 HydrophobicContact CE1-CB 4.28Å; F86-C99 HydrophobicContact CE2-CB 3.63Å; F86-C99 HydrophobicContact CZ-CB 3.65Å; F86-Y100 CarbonylContact C-O 3.47Å; F86-Y100 WeakPolarHBondContact CA-O 3.44Å; F86-L101 HydrophobicContact CB-CD2 4.49Å; F86-L101 HydrophobicContact CD2-CD2 3.83Å; F86-L101 HydrophobicContact CD2-CG 4.13Å
87R81.9Confident77.9Confident125 Ų12572.6 Ų72.647%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-133.8118.4175-47.4-171.7-154.2-167.513.4110.6E31 K85 C99 Y100E31-R87 IonicContact OE1-NH2 3.41Å; K85-R87 HydrophobicContact CG-CG 4.3Å; R87-C99 CarbonylContact O-C 3.54Å; R87-C99 VanDerWaalsContact O-CA 3.3Å; R87-C99 WeakPolarHBondContact O-CA 3.35Å; R87-Y100 PolarHBondContact N-O 3.44Å; R87-Y100 PolarHBondContact O-N 2.91Å
88R80.5Confident78.6Confident117 Ų11768.9 Ų68.944%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-80.4132.1166.8-177.3178.3177.3170.87.7109.2E38 F86 T97E38-R88 IonicContact OE1-CZ 2.72Å; E38-R88 VanDerWaalsContact OE1-CZ 3.22Å; E38-R88 IonicContact OE1-NH1 2.77Å; E38-R88 PolarHBondContact OE1-NH1 3.37Å; E38-R88 IonicContact OE1-NH2 2.68Å; E38-R88 PolarHBondContact OE1-NH2 3.46Å; F86-R88 HydrophobicContact CE1-CB 4.28Å; R88-T97 HydrophobicContact CG-CG2 3.72Å; R88-T97 PolarHBondContact NH2-OG1 3.1Å
89T74.6Confident78.8Confident34 Ų3465.1 Ų65.121%0.20933%0.331CS..EExtended strand (participates in β ladder)trans-90.9174.717173.70000111.8V91 T97 E98 Y100T89-V91 VanDerWaalsContact C-N 3.33Å; T89-V91 PolarHBondContact OG1-N 3.4Å; T89-V91 PolarHBondContact OG1-O 3.46Å; T89-T97 WeakPolarHBondContact O-CG2 3.34Å; T89-E98 WeakPolarHBondContact CB-O 3.38Å; T89-E98 WeakPolarHBondContact CG2-O 3.42Å; T89-E98 PolarHBondContact N-O 3.29Å; T89-E98 PolarHBondContact OG1-O 2.98Å; T89-Y100 HydrophobicContact CG2-CD2 3.7Å; T89-Y100 HydrophobicContact CG2-CE2 3.67Å
90S65.3Low79Confident122 Ų12267.7 Ų67.785%0.85334%0.34SS*.EExtended strand (participates in β ladder)trans-87.31.6164.853.80000113.5
91V69.6Low79Confident68 Ų6865.8 Ų65.841%0.41233%0.327SS..EExtended strand (participates in β ladder)trans-87.1129-177.2-176.10000109.4T89 E98T89-V91 VanDerWaalsContact C-N 3.33Å; T89-V91 PolarHBondContact OG1-N 3.4Å; T89-V91 PolarHBondContact OG1-O 3.46Å; V91-E98 HydrophobicContact CB-CB 4.43Å; V91-E98 PolarHBondContact O-N 2.95Å
92M66.1Low79.1Confident123 Ų12366.4 Ų66.461%0.60633%0.331SS*.EExtended strand (participates in β ladder)trans-117.4137.7172.7-60.6-163.1-61.900110.5K96M92-K96 CarbonylContact C-O 3.46Å; M92-K96 VanDerWaalsContact CA-O 3.26Å; M92-K96 WeakPolarHBondContact CA-O 3.42Å
93R65.7Low79.1Confident152 Ų15264.4 Ų64.457%0.57432%0.323SS*.EExtended strand (participates in β ladder)trans-126.2127.1170.4-84-178.7162.3-176.7-6.2108.1G95 K96R93-G95 PolarHBondContact O-N 3.49Å; R93-G95 VanDerWaalsContact O-N 3.16Å; R93-K96 PolarHBondContact N-O 3.39Å; R93-K96 PolarHBondContact O-N 2.88Å
94N68.6Low79Confident171 Ų17167.7 Ų67.791%0.91434%0.339SS*.THydrogen-bonded Turntrans49.940.7177.1-55.8-1.5000113.6K96N94-K96 PolarHBondContact O-N 3.05Å
95G68.1Low79Confident58 Ų5864.2 Ų64.260%0.59832%0.323SS*.THydrogen-bonded Turntrans77.6-8.3-177.600000115.9R93R93-G95 PolarHBondContact O-N 3.49Å; R93-G95 VanDerWaalsContact O-N 3.16Å
96K75.3Confident78.5Confident63 Ų6366 Ų6627%0.27433%0.332SS..EExtended strand (participates in β ladder)trans-94141.3174.5-55.7-153.5176.5-141.80110.7Y35 L36 E37 E40 M92 R93 N94Y35-K96 VanDerWaalsContact O-CD 3.32Å; Y35-K96 WeakPolarHBondContact O-CD 3.04Å; L36-K96 CarbonylContact O-C 3.48Å; L36-K96 WeakPolarHBondContact O-CA 3.47Å; E37-K96 HydrophobicContact CG-CD 3.94Å; E37-K96 HydrophobicContact CG-CG 3.93Å; E37-K96 WeakPolarHBondContact OE1-CE 3.49Å; E37-K96 IonicContact OE1-NZ 3.88Å; E37-K96 PolarHBondContact OE1-NZ 2.79Å; E40-K96 IonicContact OE2-NZ 2.78Å; M92-K96 CarbonylContact C-O 3.46Å; M92-K96 VanDerWaalsContact CA-O 3.26Å; M92-K96 WeakPolarHBondContact CA-O 3.42Å; R93-K96 PolarHBondContact N-O 3.39Å; R93-K96 PolarHBondContact O-N 2.88Å; N94-K96 PolarHBondContact O-N 3.05Å
97T78.7Confident77.8Confident1 Ų169.6 Ų69.61%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-85.2133.7172.7-57.30000110.7L36 R88 T89L36-T97 PolarHBondContact N-O 2.69Å; L36-T97 VanDerWaalsContact N-O 3.08Å; L36-T97 PolarHBondContact O-N 2.94Å; R88-T97 HydrophobicContact CG-CG2 3.72Å; R88-T97 PolarHBondContact NH2-OG1 3.1Å; T89-T97 WeakPolarHBondContact O-CG2 3.34Å
98E84.3Confident77.3Confident21 Ų2170.5 Ų70.510%0.09836%0.364CS..EExtended strand (participates in β ladder)trans-73.9123.7171.7-173.5165.8-119.700110.7Y35 T89 V91 Y100Y35-E98 HydrophobicContact CD1-CB 4.02Å; Y35-E98 HydrophobicContact CD1-CG 4.26Å; Y35-E98 HydrophobicContact CE1-CB 3.7Å; Y35-E98 HydrophobicContact CE1-CG 3.6Å; Y35-E98 WeakPolarHBondContact CE1-OE1 3.17Å; Y35-E98 VanDerWaalsContact CZ-OE1 3.23Å; Y35-E98 PolarHBondContact OH-OE1 3.46Å; T89-E98 WeakPolarHBondContact CB-O 3.38Å; T89-E98 WeakPolarHBondContact CG2-O 3.42Å; T89-E98 PolarHBondContact N-O 3.29Å; T89-E98 PolarHBondContact OG1-O 2.98Å; V91-E98 HydrophobicContact CB-CB 4.43Å; V91-E98 PolarHBondContact O-N 2.95Å; E98-Y100 HydrophobicContact CG-CE2 4.31Å
99C85.3Confident76.9Confident0 Ų065.3 Ų65.30%035%0.345CS..EExtended strand (participates in β ladder)trans-125.6141.9178.7-58.70000110.3A33 V34 L36 F86 R87A33-C99 CarbonylContact C-O 3.56Å; A33-C99 WeakPolarHBondContact CA-O 3.26Å; V34-C99 HydrophobicContact CG1-CB 3.93Å; V34-C99 PolarHBondContact N-O 2.85Å; V34-C99 PolarHBondContact O-N 2.75Å; L36-C99 HydrophobicContact CD1-CB 4.47Å; F86-C99 HydrophobicContact CE2-CB 3.63Å; F86-C99 HydrophobicContact CZ-CB 3.65Å; R87-C99 CarbonylContact O-C 3.54Å; R87-C99 VanDerWaalsContact O-CA 3.3Å; R87-C99 WeakPolarHBondContact O-CA 3.35Å
100Y87.3Confident76.7Confident72 Ų7267.1 Ų67.128%0.28236%0.357SS..EExtended strand (participates in β ladder)trans-104.9134.9177.4-72-87.6000111.6R20 F32 A33 F86 R87 T89 E98R20-Y100 HydrophobicContact CB-CE1 4.38Å; R20-Y100 HydrophobicContact CG-CE1 4.18Å; F32-Y100 CarbonylContact O-C 3.6Å; F32-Y100 VanDerWaalsContact O-CA 3.32Å; F32-Y100 WeakPolarHBondContact O-CA 3.37Å; A33-Y100 HydrophobicContact CB-CE1 4.32Å; F86-Y100 CarbonylContact C-O 3.47Å; F86-Y100 WeakPolarHBondContact CA-O 3.44Å; R87-Y100 PolarHBondContact N-O 3.44Å; R87-Y100 PolarHBondContact O-N 2.91Å; T89-Y100 HydrophobicContact CG2-CD2 3.7Å; T89-Y100 HydrophobicContact CG2-CE2 3.67Å; E98-Y100 HydrophobicContact CG-CE2 4.31Å
101L87.9Confident76.9Confident1 Ų161.7 Ų61.71%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-114.8124.5175.5-81.2160.2000108.8L17 E31 F32 V34 P47 V83 F86 I103L17-L101 HydrophobicContact CD1-CD1 4.2Å; L17-L101 HydrophobicContact CD2-CD1 3.61Å; E31-L101 WeakPolarHBondContact CA-O 3.44Å; F32-L101 HydrophobicContact CB-CB 4.29Å; F32-L101 PolarHBondContact N-O 2.9Å; F32-L101 PolarHBondContact O-N 3.49Å; V34-L101 HydrophobicContact CB-CD1 4.44Å; V34-L101 HydrophobicContact CG1-CD1 3.88Å; P47-L101 HydrophobicContact CB-CD1 4.41Å; P47-L101 HydrophobicContact CB-CD2 4.32Å; P47-L101 HydrophobicContact CG-CD1 4.41Å; P47-L101 WeakPolarHBondContact O-CD2 3.4Å; V83-L101 HydrophobicContact CG1-CD2 3.47Å; V83-L101 VanDerWaalsContact CG1-CD2 3.47Å; F86-L101 HydrophobicContact CB-CD2 4.49Å; F86-L101 HydrophobicContact CD2-CD2 3.83Å; F86-L101 HydrophobicContact CD2-CG 4.13Å; L101-I103 HydrophobicContact CB-CD1 4.35Å; L101-I103 HydrophobicContact CB-CG1 4.22Å
102S88.4Confident77.1Confident15 Ų1563.7 Ų63.711%0.10533%0.328CS..EExtended strand (participates in β ladder)trans-101.4115.5167.1-174.80000108.2W30 H84 K85W30-S102 WeakPolarHBondContact O-CA 3.47Å; H84-S102 PolarHBondContact N-O 3.47Å; K85-S102 PolarHBondContact N-O 2.87Å; K85-S102 PolarHBondContact O-N 3.36Å
103I88.3Confident77.4Confident0 Ų061.9 Ų61.90%032%0.32CS..EExtended strand (participates in β ladder)trans-119127.7-174.7-49.6-176.5000108.8L17 Y29 W30 F32 V53 L55 Y82 V83 L101L17-I103 HydrophobicContact CD1-CD1 3.7Å; Y29-I103 CarbonylContact C-O 3.46Å; Y29-I103 WeakPolarHBondContact CA-O 3.2Å; W30-I103 PolarHBondContact N-O 3.37Å; W30-I103 PolarHBondContact O-N 2.92Å; F32-I103 HydrophobicContact CD2-CB 4.31Å; F32-I103 HydrophobicContact CD2-CD1 3.73Å; F32-I103 HydrophobicContact CD2-CG1 3.93Å; F32-I103 HydrophobicContact CE2-CB 4.07Å; F32-I103 HydrophobicContact CE2-CD1 3.86Å; F32-I103 HydrophobicContact CE2-CG1 4.12Å; V53-I103 HydrophobicContact CG2-CD1 4.43Å; V53-I103 HydrophobicContact CG2-CG2 3.9Å; L55-I103 HydrophobicContact CD1-CG2 4.29Å; L55-I103 HydrophobicContact CD2-CD1 4.12Å; Y82-I103 CarbonylContact O-C 3.57Å; Y82-I103 WeakPolarHBondContact O-CA 3.36Å; V83-I103 HydrophobicContact CG2-CD1 4.34Å; V83-I103 HydrophobicContact CG2-CG1 4.23Å; L101-I103 HydrophobicContact CB-CD1 4.35Å; L101-I103 HydrophobicContact CB-CG1 4.22Å
104Q87.6Confident77.8Confident70 Ų7058.7 Ų58.733%0.32732%0.315SS..EExtended strand (participates in β ladder)trans-92.3124.7176.4-165.9-177.3-2.100109.9K28 Y29 G81 Y82K28-Q104 CarbonylContact O-C 3.55Å; K28-Q104 VanDerWaalsContact O-CA 3.25Å; K28-Q104 WeakPolarHBondContact O-CA 3.38Å; Y29-Q104 HydrophobicContact CD1-CB 3.76Å; Y29-Q104 HydrophobicContact CD1-CG 4.12Å; Y29-Q104 HydrophobicContact CD2-CG 4.4Å; Y29-Q104 HydrophobicContact CE1-CB 3.57Å; Y29-Q104 HydrophobicContact CE1-CG 3.8Å; Y29-Q104 HydrophobicContact CE2-CG 4.12Å; Y29-Q104 HydrophobicContact CG-CB 4.45Å; Y29-Q104 HydrophobicContact CG-CG 4.42Å; Y29-Q104 PolarHBondContact OH-OE1 2.96Å; G81-Q104 CarbonylContact C-O 3.57Å; G81-Q104 VanDerWaalsContact CA-O 3.3Å; G81-Q104 WeakPolarHBondContact CA-O 3.35Å; Y82-Q104 HydrophobicContact CD1-CB 4.24Å; Y82-Q104 PolarHBondContact N-O 2.91Å; Y82-Q104 PolarHBondContact O-N 3.22Å
105T85.3Confident78.5Confident7 Ų752.4 Ų52.44%0.04328%0.28CS..EExtended strand (participates in β ladder)trans-99.3158.3176.155.80000111.4K28 W30 L55 E107 F109K28-T105 VanDerWaalsContact CB-O 3.28Å; K28-T105 WeakPolarHBondContact CB-O 3.48Å; K28-T105 WeakPolarHBondContact CD-O 3.42Å; K28-T105 PolarHBondContact O-N 3.03Å; W30-T105 PolarHBondContact NE1-OG1 2.92Å; L55-T105 HydrophobicContact CD1-CG2 4.12Å; T105-E107 WeakPolarHBondContact CB-O 3.32Å; T105-E107 PolarHBondContact OG1-O 2.85Å; T105-F109 HydrophobicContact CG2-CB 4.16Å
106Q73.5Confident79.2Confident127 Ų12752.8 Ų52.859%0.59327%0.268SS*.SBendtrans-76.4-29171.9-178.2166.2-38.400112.4K28K28-Q106 WeakPolarHBondContact CD-O 3.33Å; K28-Q106 WeakPolarHBondContact CE-O 3.35Å; K28-Q106 PolarHBondContact NZ-O 3.32Å
107E72.2Confident79.7Confident115 Ų11549.8 Ų49.854%0.53726%0.255SS..SBendtrans-129.5174-173.9-77145.5-152.500111.1T105 F109T105-E107 WeakPolarHBondContact CB-O 3.32Å; T105-E107 PolarHBondContact OG1-O 2.85Å; E107-F109 PolarHBondContact O-N 3.02Å
108N70.3Confident80.1Confident144 Ų14451.1 Ų51.177%0.7726%0.262SS*.  trans-67.1122.3170.4-69.3-4.5000108.5
109F72.6Confident80.2Confident7 Ų750.1 Ų50.13%0.03126%0.257CS..  trans-90121-176.1179.3-116.2000110W30 F32 L55 P57 H79 T105 E107 A111 V117W30-F109 HydrophobicContact CD2-CB 4.12Å; W30-F109 HydrophobicContact CD2-CD1 4.22Å; W30-F109 HydrophobicContact CE3-CB 4.47Å; W30-F109 HydrophobicContact CE3-CD1 4.1Å; W30-F109 HydrophobicContact CH2-CB 4.02Å; W30-F109 WeakPolarHBondContact CH2-O 3.31Å; W30-F109 HydrophobicContact CZ2-CB 3.62Å; W30-F109 HydrophobicContact CZ3-CB 4.4Å; W30-F109 HydrophobicContact CZ3-CD1 4.34Å; F32-F109 HydrophobicContact CE1-CE1 4.26Å; F32-F109 HydrophobicContact CZ-CD1 4.35Å; F32-F109 AromaticContact CZ-CE1 3.93Å; F32-F109 HydrophobicContact CZ-CE1 3.93Å; L55-F109 HydrophobicContact CB-CD2 4.36Å; L55-F109 HydrophobicContact CB-CE2 3.57Å; L55-F109 HydrophobicContact CB-CZ 3.8Å; L55-F109 HydrophobicContact CD1-CD2 4.44Å; L55-F109 HydrophobicContact CD1-CE1 4.38Å; L55-F109 HydrophobicContact CD1-CE2 4.23Å; L55-F109 HydrophobicContact CD1-CZ 4.22Å; P57-F109 HydrophobicContact CG-CE2 3.91Å; P57-F109 HydrophobicContact CG-CZ 3.93Å; H79-F109 HydrophobicContact CB-CD2 3.7Å; H79-F109 HydrophobicContact CB-CE2 4.04Å; H79-F109 AromaticContact CD2-CD2 3.6Å; H79-F109 AromaticContact CD2-CE2 3.6Å; H79-F109 AromaticContact CG-CD2 3.66Å; T105-F109 HydrophobicContact CG2-CB 4.16Å; E107-F109 PolarHBondContact O-N 3.02Å; F109-A111 HydrophobicContact CD1-CB 3.76Å; F109-A111 HydrophobicContact CE1-CB 3.34Å; F109-A111 HydrophobicContact CZ-CB 4.01Å; F109-A111 PolarHBondContact O-N 3.44Å; F109-V117 HydrophobicContact CE1-CG1 4.14Å; F109-V117 HydrophobicContact CE1-CG2 3.84Å; F109-V117 HydrophobicContact CZ-CB 4.36Å; F109-V117 HydrophobicContact CZ-CG1 3.58Å; F109-V117 HydrophobicContact CZ-CG2 3.81Å
110P70.2Confident80.3Confident72 Ų7251.3 Ų51.347%0.46826%0.263SS..  trans-83.378.6-174.133.7-34.6000111H79H79-P110 VanDerWaalsContact CE1-CD 3.5Å; H79-P110 WeakPolarHBondContact CE1-CD 3.08Å; H79-P110 WeakPolarHBondContact NE2-CD 3.19Å; H79-P110 WeakPolarHBondContact NE2-CG 3.42Å
111A69.9Low80.2Confident8 Ų850.3 Ų50.37%0.06626%0.264CS..  trans-143.7143.417400000112V19 F109 V117V19-A111 HydrophobicContact CG2-CB 4.07Å; F109-A111 HydrophobicContact CD1-CB 3.76Å; F109-A111 HydrophobicContact CE1-CB 3.34Å; F109-A111 HydrophobicContact CZ-CB 4.01Å; F109-A111 PolarHBondContact O-N 3.44Å; A111-V117 HydrophobicContact CB-CG2 4.12Å
112N74Confident79.9Confident110 Ų11051.5 Ų51.559%0.58827%0.271SS*.  trans-87.9166.6-176.6-62.3-81.8000112.7V19 N114 E115V19-N112 VanDerWaalsContact CB-O 3.27Å; V19-N112 WeakPolarHBondContact CB-O 3.44Å; V19-N112 WeakPolarHBondContact CG1-O 3.27Å; N112-N114 PolarHBondContact O-N 2.86Å; N112-E115 HydrophobicContact CB-CB 4.32Å; N112-E115 WeakPolarHBondContact CB-OE2 3.35Å; N112-E115 PolarHBondContact N-OE2 3.34Å; N112-E115 PolarHBondContact ND2-OE2 3.08Å; N112-E115 VanDerWaalsContact O-CB 3.25Å; N112-E115 WeakPolarHBondContact O-CB 3.25Å; N112-E115 PolarHBondContact O-N 2.89Å
113L72.9Confident79.7Confident86 Ų8652.6 Ų52.645%0.4528%0.279SS..THydrogen-bonded Turntrans-61.7133.4172.1-83.4164.5000111.4R20 F22 E115R20-L113 WeakPolarHBondContact O-CD2 3.5Å; F22-L113 HydrophobicContact CD2-CD1 3.96Å; F22-L113 HydrophobicContact CD2-CD2 4.45Å; F22-L113 HydrophobicContact CD2-CG 3.98Å; F22-L113 HydrophobicContact CE2-CD1 3.63Å; F22-L113 HydrophobicContact CE2-CD2 4.42Å; F22-L113 HydrophobicContact CE2-CG 3.53Å; F22-L113 HydrophobicContact CZ-CG 3.98Å; L113-E115 PolarHBondContact O-N 3.19Å
114N73.9Confident79.6Confident85 Ų8555.6 Ų55.646%0.45530%0.3SS..THydrogen-bonded Turntrans655.8-175.2-51.6-64.1000116.1Q18 V19 R20 N112Q18-N114 HydrophobicContact CG-CB 4.4Å; Q18-N114 PolarHBondContact NE2-O 2.98Å; V19-N114 WeakPolarHBondContact O-CA 3.46Å; V19-N114 PolarHBondContact O-N 2.89Å; R20-N114 PolarHBondContact NH1-OD1 3.4Å; N112-N114 PolarHBondContact O-N 2.86Å
115E81.6Confident79.6Confident38 Ų3854.3 Ų54.318%0.17830%0.295CS..  trans-64150.5172.1-161.5176.2135.100111.5Q18 V19 N112 L113Q18-E115 WeakPolarHBondContact CA-O 3.44Å; V19-E115 PolarHBondContact N-O 3.08Å; N112-E115 HydrophobicContact CB-CB 4.32Å; N112-E115 WeakPolarHBondContact CB-OE2 3.35Å; N112-E115 PolarHBondContact N-OE2 3.34Å; N112-E115 PolarHBondContact ND2-OE2 3.08Å; N112-E115 VanDerWaalsContact O-CB 3.25Å; N112-E115 WeakPolarHBondContact O-CB 3.25Å; N112-E115 PolarHBondContact O-N 2.89Å; L113-E115 PolarHBondContact O-N 3.19Å
116L83.3Confident79.7Confident66 Ų6655.7 Ų55.735%0.34630%0.303SS..EExtended strand (participates in β ladder)trans-91.3134.9175-67.1179.2000110.6L17 Q18 E58L17-L116 WeakPolarHBondContact O-CA 3.44Å; Q18-L116 HydrophobicContact CB-CD2 4.18Å; E58-L116 HydrophobicContact CB-CB 4.37Å; E58-L116 VanDerWaalsContact CB-O 3.27Å; E58-L116 WeakPolarHBondContact CB-O 3.28Å; E58-L116 PolarHBondContact N-O 3.32Å; E58-L116 VanDerWaalsContact N-O 3.1Å; E58-L116 WeakPolarHBondContact OE2-CB 3.48Å
117V87Confident80.4Confident0 Ų052.2 Ų52.20%029%0.29CS..EExtended strand (participates in β ladder)trans-132.7124.1-175172.10000108.8L17 V19 F32 L55 F109 A111 C119L17-V117 PolarHBondContact N-O 3.39Å; L17-V117 PolarHBondContact O-N 3Å; V19-V117 HydrophobicContact CG2-CG2 3.98Å; F32-V117 HydrophobicContact CE1-CB 4Å; F32-V117 HydrophobicContact CE1-CG1 4.16Å; F32-V117 HydrophobicContact CE1-CG2 4.04Å; L55-V117 HydrophobicContact CB-CG1 3.94Å; L55-V117 HydrophobicContact CD2-CG1 4.02Å; L55-V117 HydrophobicContact CG-CG1 4.47Å; F109-V117 HydrophobicContact CE1-CG1 4.14Å; F109-V117 HydrophobicContact CE1-CG2 3.84Å; F109-V117 HydrophobicContact CZ-CB 4.36Å; F109-V117 HydrophobicContact CZ-CG1 3.58Å; F109-V117 HydrophobicContact CZ-CG2 3.81Å; A111-V117 HydrophobicContact CB-CG2 4.12Å; V117-C119 PolarHBondContact O-N 3.35Å
118N86.9Confident81.2Confident30 Ų3050.2 Ų50.216%0.1629%0.286CS..EExtended strand (participates in β ladder)trans-81.3115.1177.9-73-49.6000109.9F14 Q16 A56 E58F14-N118 HydrophobicContact CD2-CB 4.22Å; F14-N118 WeakPolarHBondContact CD2-OD1 3.36Å; F14-N118 WeakPolarHBondContact CE2-OD1 3.35Å; Q16-N118 VanDerWaalsContact CG-OD1 3.23Å; Q16-N118 WeakPolarHBondContact CG-OD1 3.48Å; A56-N118 PolarHBondContact N-O 3.08Å; A56-N118 PolarHBondContact O-N 3.26Å; E58-N118 PolarHBondContact OE1-ND2 3.39Å
119C86.8Confident82.1Confident0 Ų046.4 Ų46.40%026%0.264CS..EExtended strand (participates in β ladder)trans-104124.6-178.9-179.20000111.4F14 Y15 L17 F54 L55 V117F14-C119 CarbonylContact C-O 3.53Å; F14-C119 WeakPolarHBondContact CA-O 3.49Å; Y15-C119 PolarHBondContact N-O 3.4Å; Y15-C119 WeakPolarHBondContact O-CB 3.49Å; Y15-C119 PolarHBondContact O-N 2.89Å; L17-C119 HydrophobicContact CD1-CB 3.46Å; L17-C119 VanDerWaalsContact CD1-CB 3.46Å; L17-C119 HydrophobicContact CD2-CB 4.45Å; L17-C119 HydrophobicContact CG-CB 3.63Å; F54-C119 WeakPolarHBondContact O-CA 3.5Å; L55-C119 HydrophobicContact CD2-CB 3.89Å; V117-C119 PolarHBondContact O-N 3.35Å
120I86.1Confident83Confident25 Ų2549.1 Ų49.113%0.12827%0.274CS..EExtended strand (participates in β ladder)trans-115125.6-179.9-55.6176.4000108.7W5 F14 V53 F54 Y78W5-I120 HydrophobicContact CH2-CD1 4Å; W5-I120 HydrophobicContact CH2-CG2 4.23Å; W5-I120 HydrophobicContact CZ2-CD1 4.48Å; W5-I120 HydrophobicContact CZ2-CG2 3.75Å; F14-I120 HydrophobicContact CB-CG1 4.06Å; V53-I120 CarbonylContact C-O 3.59Å; V53-I120 WeakPolarHBondContact CA-O 3.48Å; V53-I120 WeakPolarHBondContact CB-O 3.45Å; F54-I120 HydrophobicContact CB-CB 4.49Å; F54-I120 PolarHBondContact N-O 3.13Å; F54-I120 PolarHBondContact O-N 2.7Å; Y78-I120 HydrophobicContact CE1-CD1 3.82Å
121V84.9Confident84Confident50 Ų5047.1 Ų47.130%0.30326%0.258SS..EExtended strand (participates in β ladder)trans-82.8118.3178.3-176.50000110.1Y15 P47 D51 V53Y15-V121 HydrophobicContact CE2-CG2 4.18Å; P47-V121 HydrophobicContact CB-CG2 3.91Å; P47-V121 HydrophobicContact CG-CG2 3.79Å; D51-V121 HydrophobicContact CB-CG1 4.22Å; V53-V121 HydrophobicContact CG1-CG2 4.26Å
122I82.9Confident85Confident26 Ų2651.6 Ų51.613%0.13328%0.28CS..EExtended strand (participates in β ladder)trans-86.9-54.1-177.7-48.5170.8000110.4V1 A2 W5 L52 F54V1-I122 HydrophobicContact CG1-CG2 3.92Å; A2-I122 HydrophobicContact CB-CD1 4.46Å; W5-I122 HydrophobicContact CB-CG2 4.05Å; W5-I122 HydrophobicContact CG-CG2 4.17Å; L52-I122 HydrophobicContact CD2-CB 4.5Å; L52-I122 HydrophobicContact CD2-CD1 4.03Å; L52-I122 HydrophobicContact CG-CD1 4.09Å; L52-I122 WeakPolarHBondContact O-CB 3.43Å; L52-I122 PolarHBondContact O-N 3.19Å; F54-I122 HydrophobicContact CB-CD1 4.49Å; F54-I122 HydrophobicContact CD1-CD1 3.96Å; F54-I122 HydrophobicContact CD2-CD1 3.36Å; F54-I122 HydrophobicContact CD2-CG1 3.6Å; F54-I122 HydrophobicContact CE1-CD1 4Å; F54-I122 HydrophobicContact CE2-CD1 3.38Å; F54-I122 HydrophobicContact CE2-CG1 3.89Å; F54-I122 HydrophobicContact CG-CD1 3.65Å; F54-I122 HydrophobicContact CG-CG1 4.16Å; F54-I122 HydrophobicContact CZ-CD1 3.73Å
123S83.9Confident85.8Confident39 Ų3949.7 Ų49.727%0.27327%0.267SS..EExtended strand (participates in β ladder)trans-168.8164.2-180670000111.8V1 L52V1-S123 WeakPolarHBondContact CG1-OG 3.29Å; L52-S123 PolarHBondContact N-O 2.98Å; L52-S123 PolarHBondContact O-N 2.63Å
124S85.7Confident86.6Confident63 Ų6345.8 Ų45.844%0.44125%0.246SC..EExtended strand (participates in β ladder)trans-97.1123176.7-158.80000112.2D51 V126D51-S124 WeakPolarHBondContact OD1-CA 3.33Å; D51-S124 WeakPolarHBondContact OD1-CB 3.15Å; D51-S124 PolarHBondContact OD1-OG 2.8Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.48Å
125L87.3Confident87.4Confident43 Ų4346.1 Ų46.123%0.22525%0.246CC..THydrogen-bonded Turntrans-82.2-2.5-177.6-58-174.9000113.8N50 L52 Y82 T127 T128 Q129N50-L125 WeakPolarHBondContact O-CB 3.15Å; N50-L125 PolarHBondContact O-N 3.04Å; L52-L125 HydrophobicContact CB-CD1 4.33Å; L52-L125 HydrophobicContact CB-CD2 4.3Å; L52-L125 HydrophobicContact CB-CG 4.15Å; L52-L125 HydrophobicContact CD1-CD1 4.35Å; Y82-L125 HydrophobicContact CD2-CD1 3.87Å; Y82-L125 HydrophobicContact CE2-CD1 4.13Å; L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.92Å; L125-T127 VanDerWaalsContact O-N 3.16Å; L125-T128 CarbonylContact O-C 3.53Å; L125-T128 WeakPolarHBondContact O-CA 3.37Å; L125-T128 WeakPolarHBondContact O-CB 3.37Å; L125-T128 PolarHBondContact O-N 3Å; L125-Q129 HydrophobicContact CB-CG 4.4Å; L125-Q129 WeakPolarHBondContact O-CG 3.46Å; L125-Q129 PolarHBondContact O-N 2.84Å
126V87.1Confident87.8Confident35 Ų3549.2 Ų49.221%0.21227%0.272CS..Hα-helixtrans-47.7-46.5-177.2174.70000113N50 S124 R130N50-V126 HydrophobicContact CB-CG2 3.7Å; S124-V126 VanDerWaalsContact C-N 3.29Å; S124-V126 PolarHBondContact O-N 3.48Å; V126-R130 VanDerWaalsContact O-CG 3.28Å; V126-R130 WeakPolarHBondContact O-CG 3.44Å; V126-R130 PolarHBondContact O-N 2.87Å; V126-R130 VanDerWaalsContact O-N 3.1Å
127T88.6Confident87.9Confident54 Ų5449.4 Ų49.433%0.33127%0.273SS..Hα-helixtrans-69.8-37.8179.2-66.10000111.8L125 R130 K131 S398L125-T127 VanDerWaalsContact C-N 3.29Å; L125-T127 PolarHBondContact O-N 2.92Å; L125-T127 VanDerWaalsContact O-N 3.16Å; T127-R130 PolarHBondContact O-N 2.99Å; T127-K131 HydrophobicContact CG2-CD 4.33Å; T127-K131 WeakPolarHBondContact O-CG 3.21Å; T127-K131 PolarHBondContact O-N 3.14Å; T127-S398 PolarHBondContact OG1-OG 2.62Å
128T89.3Confident87.6Confident74 Ų7450.8 Ų50.845%0.45428%0.281SS..Hα-helixtrans-65.1-44.8176.8-51.90000111.4L125 R130 K131 L132L125-T128 CarbonylContact O-C 3.53Å; L125-T128 WeakPolarHBondContact O-CA 3.37Å; L125-T128 WeakPolarHBondContact O-CB 3.37Å; L125-T128 PolarHBondContact O-N 3Å; T128-R130 PolarHBondContact O-N 3.34Å; T128-K131 WeakPolarHBondContact O-CB 3.31Å; T128-K131 PolarHBondContact O-N 3.14Å; T128-L132 HydrophobicContact CG2-CD1 4.23Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.77Å
129Q88.4Confident87Confident63 Ų6351 Ų5129%0.29429%0.29SS..Hα-helixtrans-62.5-40.9175.9-68.2168.9-27.900112.3N50 Y82 L125 L132 K133N50-Q129 VanDerWaalsContact CG-OE1 3.24Å; N50-Q129 PolarHBondContact OD1-NE2 3.25Å; N50-Q129 PolarHBondContact OD1-OE1 3.43Å; Y82-Q129 PolarHBondContact OH-NE2 2.97Å; L125-Q129 HydrophobicContact CB-CG 4.4Å; L125-Q129 WeakPolarHBondContact O-CG 3.46Å; L125-Q129 PolarHBondContact O-N 2.84Å; Q129-L132 PolarHBondContact O-N 2.82Å; Q129-K133 WeakPolarHBondContact O-CB 3.12Å; Q129-K133 PolarHBondContact O-N 3.41Å
130R91.4Very high85.8Confident65 Ų6557.3 Ų57.325%0.24533%0.334CS..Hα-helixtrans-65-39.4175.7-71.2178.3-167.2162.23.6111.9V126 T127 T128 K133 A134 S398 T435V126-R130 VanDerWaalsContact O-CG 3.28Å; V126-R130 WeakPolarHBondContact O-CG 3.44Å; V126-R130 PolarHBondContact O-N 2.87Å; V126-R130 VanDerWaalsContact O-N 3.1Å; T127-R130 PolarHBondContact O-N 2.99Å; T128-R130 PolarHBondContact O-N 3.34Å; R130-K133 PolarHBondContact O-N 2.78Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.19Å; R130-S398 WeakPolarHBondContact CD-O 3.39Å; R130-S398 PolarHBondContact NH1-O 3.37Å; R130-S398 PolarHBondContact NH1-OG 2.76Å; R130-T435 HydrophobicContact CB-CG2 4.26Å
131K92.4Very high84.8Confident29 Ų2965.5 Ų65.513%0.12636%0.363CS..Hα-helixtrans-60.4-49.6171.8-76.3179.5-176.4-168.30111.6T127 T128 K133 A134 M135 I431 E432T127-K131 HydrophobicContact CG2-CD 4.33Å; T127-K131 WeakPolarHBondContact O-CG 3.21Å; T127-K131 PolarHBondContact O-N 3.14Å; T128-K131 WeakPolarHBondContact O-CB 3.31Å; T128-K131 PolarHBondContact O-N 3.14Å; K131-K133 PolarHBondContact O-N 2.91Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 3.21Å; K131-M135 WeakPolarHBondContact O-CG 3.45Å; K131-M135 PolarHBondContact O-N 2.9Å; K131-I431 HydrophobicContact CB-CG2 3.64Å; K131-I431 HydrophobicContact CD-CG2 4.48Å; K131-I431 HydrophobicContact CG-CG2 3.99Å; K131-E432 WeakPolarHBondContact CE-OE2 3.28Å; K131-E432 IonicContact NZ-OE2 3.19Å; K131-E432 PolarHBondContact NZ-OE2 2.91Å
132L91.4Very high84.4Confident103 Ų10363.7 Ų63.754%0.53935%0.352SS..Hα-helixtrans-61.9-41.7176.5-69.9169.7000112.6T128 Q129 A134 M135 S136T128-L132 HydrophobicContact CG2-CD1 4.23Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.77Å; Q129-L132 PolarHBondContact O-N 2.82Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.4Å; L132-M135 HydrophobicContact CD2-SD 4.42Å; L132-M135 PolarHBondContact O-N 3.32Å; L132-S136 WeakPolarHBondContact O-CB 3.35Å; L132-S136 PolarHBondContact O-N 2.85Å
133K89.6Confident84.2Confident70 Ų7067.2 Ų67.230%0.30437%0.368SS..Hα-helixtrans-61.8-41173.7-178.7173-178.3172.90111.6Q129 R130 K131 S136 L137 E406Q129-K133 WeakPolarHBondContact O-CB 3.12Å; Q129-K133 PolarHBondContact O-N 3.41Å; R130-K133 PolarHBondContact O-N 2.78Å; K131-K133 PolarHBondContact O-N 2.91Å; K133-S136 PolarHBondContact O-N 2.91Å; K133-L137 HydrophobicContact CD-CD1 4.5Å; K133-L137 HydrophobicContact CG-CD1 3.86Å; K133-L137 HydrophobicContact CG-CG 4.43Å; K133-L137 WeakPolarHBondContact O-CB 3.37Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.49Å; K133-L137 PolarHBondContact O-N 3.28Å; K133-E406 IonicContact NZ-OE1 2.77Å; K133-E406 PolarHBondContact NZ-OE1 3.48Å; K133-E406 IonicContact NZ-OE2 3.88Å; K133-E406 PolarHBondContact NZ-OE2 3.49Å
134A90.4Very high84.5Confident3 Ų365.3 Ų65.33%0.02536%0.355CS..Hα-helixtrans-65.4-38.8177.200000112.4R130 K131 L132 L138 L434 I438R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.19Å; K131-A134 WeakPolarHBondContact O-CB 3.48Å; K131-A134 PolarHBondContact O-N 3.21Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-A134 PolarHBondContact O-N 3.4Å; A134-L138 PolarHBondContact O-N 2.96Å; A134-L434 HydrophobicContact CB-CB 3.77Å; A134-I438 HydrophobicContact CB-CG2 4.16Å
135M90.7Very high84.6Confident92 Ų9262.7 Ų62.745%0.45334%0.337SS..Hα-helixtrans-64.2-49.6171.8-65169.87000111.8K131 L132 L137 L138 I431 L434K131-M135 WeakPolarHBondContact O-CG 3.45Å; K131-M135 PolarHBondContact O-N 2.9Å; L132-M135 HydrophobicContact CD2-SD 4.42Å; L132-M135 PolarHBondContact O-N 3.32Å; M135-L137 PolarHBondContact O-N 3.25Å; M135-L138 WeakPolarHBondContact O-CB 3.24Å; M135-L138 PolarHBondContact O-N 3.06Å; M135-I431 HydrophobicContact CE-CD1 4.26Å; M135-I431 HydrophobicContact CG-CG1 4.23Å; M135-I431 HydrophobicContact CG-CG2 3.65Å; M135-I431 HydrophobicContact SD-CD1 3.81Å; M135-I431 HydrophobicContact SD-CG1 4.05Å; M135-I431 HydrophobicContact SD-CG2 3.71Å; M135-L434 HydrophobicContact CG-CD1 4.22Å
136S88.9Confident84.7Confident104 Ų10467.2 Ų67.273%0.72735%0.351SS*.Hα-helixtrans-61.2-28179.8175.80000113.2L132 K133L132-S136 WeakPolarHBondContact O-CB 3.35Å; L132-S136 PolarHBondContact O-N 2.85Å; K133-S136 PolarHBondContact O-N 2.91Å
137L85.3Confident84.9Confident69 Ų6965.6 Ų65.636%0.36134%0.341SS..THydrogen-bonded Turntrans-90.9-2.2175.4-65.3175.9000114.1K133 M135 G139 I438K133-L137 HydrophobicContact CD-CD1 4.5Å; K133-L137 HydrophobicContact CG-CD1 3.86Å; K133-L137 HydrophobicContact CG-CG 4.43Å; K133-L137 WeakPolarHBondContact O-CB 3.37Å; K133-L137 VanDerWaalsContact O-CG 3.29Å; K133-L137 WeakPolarHBondContact O-CG 3.49Å; K133-L137 PolarHBondContact O-N 3.28Å; M135-L137 PolarHBondContact O-N 3.25Å; L137-G139 PolarHBondContact O-N 3.03Å; L137-I438 HydrophobicContact CB-CG2 4.41Å; L137-I438 HydrophobicContact CD1-CB 4.02Å; L137-I438 HydrophobicContact CD1-CG2 3.89Å
138L81.3Confident85Confident30 Ų3063 Ų6316%0.15733%0.325CS..  trans-79.657.6174.4-166.567.9000111.5A134 M135 A145 V148 L149 L434A134-L138 PolarHBondContact O-N 2.96Å; M135-L138 WeakPolarHBondContact O-CB 3.24Å; M135-L138 PolarHBondContact O-N 3.06Å; L138-A145 HydrophobicContact CD1-CB 3.9Å; L138-A145 HydrophobicContact CG-CB 4.2Å; L138-V148 HydrophobicContact CD2-CG1 4.15Å; L138-L149 HydrophobicContact CD2-CD2 4.02Å; L138-L149 HydrophobicContact CD2-CG 4.27Å; L138-L434 HydrophobicContact CD1-CD2 4.05Å; L138-L434 HydrophobicContact CD2-CD1 3.93Å; L138-L434 HydrophobicContact CD2-CD2 3.89Å
139G73.9Confident85.1Confident35 Ų3565.2 Ų65.236%0.36133%0.334SS..SBendtrans-124-159.8176.400000112.6L137 R141 N142L137-G139 PolarHBondContact O-N 3.03Å; G139-R141 PolarHBondContact O-N 3.19Å; G139-N142 PolarHBondContact O-N 2.75Å
140S62.4Low85.2Confident131 Ų13167.9 Ų67.992%0.91635%0.35SS*.THydrogen-bonded Turntrans-54.7-15.7-176.256.70000116.1N142S140-N142 VanDerWaalsContact C-N 3.33Å
141R65.8Low85.1Confident197 Ų19765.9 Ų65.974%0.74335%0.346SS*.THydrogen-bonded Turntrans-79.9-7.4176.5-67.9-178.6173.3176.1-1.6114.4G139G139-R141 PolarHBondContact O-N 3.19Å
142N74.6Confident84.9Confident13 Ų1368.2 Ų68.27%0.0736%0.359CS..  trans-120.6116.8178.7178.7-0.6000110.1G139 S140 L144 A145G139-N142 PolarHBondContact O-N 2.75Å; S140-N142 VanDerWaalsContact C-N 3.33Å; N142-L144 PolarHBondContact O-N 2.71Å; N142-L144 WeakPolarHBondContact OD1-CB 3.47Å; N142-L144 PolarHBondContact OD1-N 3.13Å; N142-A145 HydrophobicContact CB-CB 4.29Å; N142-A145 WeakPolarHBondContact O-CB 3.36Å; N142-A145 PolarHBondContact O-N 3.01Å
143Q80.4Confident84.7Confident99 Ų9964.1 Ų64.146%0.46334%0.339SS..THydrogen-bonded Turntrans-68.5-23.8-176.9-56-175.9-8.500113A145 S196 A198 N442Q143-A145 VanDerWaalsContact C-N 3.27Å; Q143-A145 PolarHBondContact O-N 2.72Å; Q143-S196 PolarHBondContact OE1-O 2.89Å; Q143-A198 HydrophobicContact CB-CB 3.85Å; Q143-N442 WeakPolarHBondContact CB-OD1 3.34Å; Q143-N442 PolarHBondContact OE1-ND2 2.99Å; Q143-N442 PolarHBondContact OE1-OD1 2.71Å
144L88.8Confident84.5Confident0 Ų066.6 Ų66.60%035%0.353CS..Hα-helixtrans-74.9-12.3171.4-73.8171.1000113N142 R146 A147 V148 A198 I200 L437 C441 L444N142-L144 PolarHBondContact O-N 2.71Å; N142-L144 WeakPolarHBondContact OD1-CB 3.47Å; N142-L144 PolarHBondContact OD1-N 3.13Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.08Å; L144-A147 HydrophobicContact CD2-CB 4.5Å; L144-A147 CarbonylContact O-C 3.49Å; L144-A147 PolarHBondContact O-N 2.79Å; L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 3.03Å; L144-A198 HydrophobicContact CD2-CB 4.05Å; L144-A198 HydrophobicContact CG-CB 4.36Å; L144-I200 HydrophobicContact CD2-CD1 4.44Å; L144-I200 HydrophobicContact CD2-CG1 3.83Å; L144-L437 HydrophobicContact CD1-CD2 4.1Å; L144-C441 VanDerWaalsContact CD1-O 3.28Å; L144-C441 WeakPolarHBondContact CD1-O 3.39Å; L144-L444 HydrophobicContact CD1-CB 3.79Å
145A88.8Confident84.5Confident8 Ų867 Ų677%0.06635%0.354CS..Hα-helixtrans-58.1-41.5-175.600000112.5L138 N142 Q143 V148 L149L138-A145 HydrophobicContact CD1-CB 3.9Å; L138-A145 HydrophobicContact CG-CB 4.2Å; N142-A145 HydrophobicContact CB-CB 4.29Å; N142-A145 WeakPolarHBondContact O-CB 3.36Å; N142-A145 PolarHBondContact O-N 3.01Å; Q143-A145 VanDerWaalsContact C-N 3.27Å; Q143-A145 PolarHBondContact O-N 2.72Å; A145-V148 PolarHBondContact O-N 3.45Å; A145-L149 WeakPolarHBondContact O-CB 3.38Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 2.94Å
146R89.4Confident84.5Confident138 Ų13862.6 Ų62.652%0.52133%0.333SS..Hα-helixtrans-63.8-46.3174.5-167.5-163.553.955.7-0111.6L144 V148 L149 N150 D155L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 3.08Å; R146-V148 PolarHBondContact O-N 3.34Å; R146-L149 PolarHBondContact O-N 3.2Å; R146-N150 PolarHBondContact NH1-O 3Å; R146-N150 CarbonylContact O-C 3.58Å; R146-N150 VanDerWaalsContact O-C 3.29Å; R146-N150 WeakPolarHBondContact O-CA 3.42Å; R146-N150 PolarHBondContact O-N 3.44Å; R146-N150 VanDerWaalsContact O-O 3.07Å; R146-D155 IonicContact CZ-OD1 3.14Å; R146-D155 IonicContact CZ-OD2 3.81Å; R146-D155 IonicContact NH1-OD1 2.9Å; R146-D155 IonicContact NH1-OD2 3.57Å; R146-D155 PolarHBondContact NH1-OD2 2.79Å; R146-D155 IonicContact NH2-OD1 3.91Å; R146-D155 PolarHBondContact NH2-OD1 2.81Å; R146-D155 IonicContact NH2-OD2 2.87Å; R146-D155 PolarHBondContact NH2-OD2 3.46Å
147A90.1Very high84.1Confident1 Ų158.5 Ų58.51%0.00830%0.304CS..Hα-helixtrans-65.3-25.3179.900000113.3L144 P151 D155 I200L144-A147 HydrophobicContact CD2-CB 4.5Å; L144-A147 CarbonylContact O-C 3.49Å; L144-A147 PolarHBondContact O-N 2.79Å; A147-P151 VanDerWaalsContact O-CA 3.29Å; A147-P151 WeakPolarHBondContact O-CA 3.33Å; A147-P151 VanDerWaalsContact O-CB 3.32Å; A147-P151 WeakPolarHBondContact O-CB 3.27Å; A147-D155 HydrophobicContact CB-CB 3.77Å; A147-I200 HydrophobicContact CB-CD1 3.98Å
148V92.2Very high83.1Confident0 Ų058.3 Ų58.30%031%0.306CS..Hα-helixtrans-79.3-51.1173171.60000111.2L138 L144 A145 R146 L434 M471 R474 F475L138-V148 HydrophobicContact CD2-CG1 4.15Å; L144-V148 WeakPolarHBondContact O-CG2 3.45Å; L144-V148 PolarHBondContact O-N 3.03Å; A145-V148 PolarHBondContact O-N 3.45Å; R146-V148 PolarHBondContact O-N 3.34Å; V148-L434 HydrophobicContact CG1-CD2 4.07Å; V148-M471 HydrophobicContact CG1-CE 3.86Å; V148-M471 HydrophobicContact CG2-CE 4.11Å; V148-M471 HydrophobicContact CG2-SD 4.38Å; V148-R474 PolarHBondContact O-NH1 3.46Å; V148-R474 PolarHBondContact O-NH2 3.47Å; V148-F475 HydrophobicContact CG2-CZ 4.41Å
149L91.2Very high82.2Confident119 Ų11964 Ų6462%0.62333%0.329SS*.Hα-helixtrans-73.2-41.5-174-66170.6000112.7L138 A145 R146L138-L149 HydrophobicContact CD2-CD2 4.02Å; L138-L149 HydrophobicContact CD2-CG 4.27Å; A145-L149 WeakPolarHBondContact O-CB 3.38Å; A145-L149 VanDerWaalsContact O-CG 3.28Å; A145-L149 WeakPolarHBondContact O-CG 3.45Å; A145-L149 PolarHBondContact O-N 2.94Å; R146-L149 PolarHBondContact O-N 3.2Å
150N89.4Confident81.4Confident119 Ų11966.3 Ų66.364%0.63633%0.333SS*.SBendtrans-132.979.6177.6-171.12.4000109.8R146 N152R146-N150 PolarHBondContact NH1-O 3Å; R146-N150 CarbonylContact O-C 3.58Å; R146-N150 VanDerWaalsContact O-C 3.29Å; R146-N150 WeakPolarHBondContact O-CA 3.42Å; R146-N150 PolarHBondContact O-N 3.44Å; R146-N150 VanDerWaalsContact O-O 3.07Å; N150-N152 PolarHBondContact O-N 2.9Å
151P89.8Confident81.2Confident24 Ų2463.8 Ų63.816%0.15631%0.309CS..  trans-68.5114.7-175.926.1-33.6000111.7A147 F156 F475 L478A147-P151 VanDerWaalsContact O-CA 3.29Å; A147-P151 WeakPolarHBondContact O-CA 3.33Å; A147-P151 VanDerWaalsContact O-CB 3.32Å; A147-P151 WeakPolarHBondContact O-CB 3.27Å; P151-F156 HydrophobicContact CB-CE2 3.91Å; P151-F156 HydrophobicContact CB-CZ 3.99Å; P151-F475 HydrophobicContact CB-CD1 4.02Å; P151-F475 HydrophobicContact CB-CE1 3.88Å; P151-F475 HydrophobicContact CG-CD1 4.14Å; P151-F475 HydrophobicContact CG-CE1 4.08Å; P151-L478 HydrophobicContact CG-CD1 3.78Å
152N87.9Confident80.7Confident77 Ų7762.7 Ų62.741%0.41232%0.317SS..  trans-91.4146168.7-172.5-80.8000109.7N150 M154 D155 F156N150-N152 PolarHBondContact O-N 2.9Å; N152-M154 PolarHBondContact O-N 3.26Å; N152-M154 VanDerWaalsContact OD1-CB 3.26Å; N152-M154 WeakPolarHBondContact OD1-CB 3.43Å; N152-M154 PolarHBondContact OD1-N 3.32Å; N152-D155 PolarHBondContact N-OD2 2.84Å; N152-D155 VanDerWaalsContact O-CB 3.27Å; N152-D155 WeakPolarHBondContact O-CB 3.47Å; N152-D155 PolarHBondContact O-N 3.17Å; N152-F156 VanDerWaalsContact O-CD2 3.32Å; N152-F156 WeakPolarHBondContact O-CD2 3.16Å; N152-F156 WeakPolarHBondContact O-CE2 3.41Å
153P87Confident80.2Confident17 Ų1764.2 Ų64.211%0.1133%0.327CS..G310 helixtrans-52.8-28.9173.7-29.937000114.7D155 F156 L479 I488P153-D155 PolarHBondContact O-N 3.37Å; P153-F156 PolarHBondContact O-N 3.18Å; P153-L479 HydrophobicContact CB-CD2 4.33Å; P153-L479 HydrophobicContact CG-CD2 4.35Å; P153-I488 HydrophobicContact CB-CD1 4.13Å; P153-I488 HydrophobicContact CB-CG2 3.64Å; P153-I488 HydrophobicContact CG-CD1 4.16Å; P153-I488 HydrophobicContact CG-CG2 3.83Å
154M86.9Confident79.4Confident123 Ų12366.5 Ų66.561%0.60635%0.348SS*.G310 helixtrans-72.5-8.3174.4-66.8-64.8-73.300114.4N152 F156 K199N152-M154 PolarHBondContact O-N 3.26Å; N152-M154 VanDerWaalsContact OD1-CB 3.26Å; N152-M154 WeakPolarHBondContact OD1-CB 3.43Å; N152-M154 PolarHBondContact OD1-N 3.32Å; M154-F156 VanDerWaalsContact C-N 3.3Å; M154-K199 PolarHBondContact O-NZ 3.31Å
155D90Very high78.8Confident10 Ų1068 Ų685%0.05336%0.357CS..G310 helixtrans-78.9-19.8171.4-62.5-35.2000112.1R146 A147 N152 P153 K199 I200R146-D155 IonicContact CZ-OD1 3.14Å; R146-D155 IonicContact CZ-OD2 3.81Å; R146-D155 IonicContact NH1-OD1 2.9Å; R146-D155 IonicContact NH1-OD2 3.57Å; R146-D155 PolarHBondContact NH1-OD2 2.79Å; R146-D155 IonicContact NH2-OD1 3.91Å; R146-D155 PolarHBondContact NH2-OD1 2.81Å; R146-D155 IonicContact NH2-OD2 2.87Å; R146-D155 PolarHBondContact NH2-OD2 3.46Å; A147-D155 HydrophobicContact CB-CB 3.77Å; N152-D155 PolarHBondContact N-OD2 2.84Å; N152-D155 VanDerWaalsContact O-CB 3.27Å; N152-D155 WeakPolarHBondContact O-CB 3.47Å; N152-D155 PolarHBondContact O-N 3.17Å; P153-D155 PolarHBondContact O-N 3.37Å; D155-K199 WeakPolarHBondContact O-CA 3.47Å; D155-K199 WeakPolarHBondContact O-CD 3.49Å; D155-I200 PolarHBondContact O-N 2.92Å
156F90.7Very high78.2Confident1 Ų168.8 Ų68.80%0.00436%0.362CS..BIsolated β-bridgetrans-91.9170.6179.5-57-86.2000111.8P151 N152 P153 M154 T158 I200 L202 F475 L479 P492P151-F156 HydrophobicContact CB-CE2 3.91Å; P151-F156 HydrophobicContact CB-CZ 3.99Å; N152-F156 VanDerWaalsContact O-CD2 3.32Å; N152-F156 WeakPolarHBondContact O-CD2 3.16Å; N152-F156 WeakPolarHBondContact O-CE2 3.41Å; P153-F156 PolarHBondContact O-N 3.18Å; M154-F156 VanDerWaalsContact C-N 3.3Å; F156-T158 PolarHBondContact O-N 3.14Å; F156-I200 VanDerWaalsContact CA-O 3.31Å; F156-I200 WeakPolarHBondContact CA-O 3.41Å; F156-I200 HydrophobicContact CD1-CB 3.83Å; F156-I200 HydrophobicContact CD1-CG2 3.86Å; F156-I200 HydrophobicContact CE1-CB 3.87Å; F156-I200 HydrophobicContact CE1-CD1 4.15Å; F156-I200 HydrophobicContact CE1-CG2 3.69Å; F156-I200 HydrophobicContact CZ-CD1 4.37Å; F156-L202 HydrophobicContact CD1-CD1 3.78Å; F156-L202 HydrophobicContact CD1-CG 3.92Å; F156-L202 HydrophobicContact CE1-CD1 3.78Å; F156-L202 HydrophobicContact CE1-CD2 4.39Å; F156-L202 HydrophobicContact CE1-CG 4.1Å; F156-F475 HydrophobicContact CE1-CB 4.02Å; F156-F475 HydrophobicContact CE1-CD1 4.42Å; F156-F475 AromaticContact CE1-CD2 3.86Å; F156-F475 HydrophobicContact CE1-CD2 3.86Å; F156-F475 HydrophobicContact CE1-CE2 4.36Å; F156-F475 AromaticContact CE1-CG 3.88Å; F156-F475 HydrophobicContact CE1-CG 3.88Å; F156-F475 HydrophobicContact CZ-CB 4.02Å; F156-F475 AromaticContact CZ-CD1 3.85Å; F156-F475 HydrophobicContact CZ-CD1 3.85Å; F156-F475 HydrophobicContact CZ-CD2 4.1Å; F156-F475 HydrophobicContact CZ-CE1 4.28Å; F156-F475 HydrophobicContact CZ-CE2 4.5Å; F156-F475 AromaticContact CZ-CG 3.75Å; F156-F475 HydrophobicContact CZ-CG 3.75Å; F156-L479 HydrophobicContact CD1-CD1 4.01Å; F156-L479 HydrophobicContact CD2-CD1 4Å; F156-L479 HydrophobicContact CD2-CD2 3.94Å; F156-L479 HydrophobicContact CD2-CG 4.46Å; F156-L479 HydrophobicContact CE1-CD1 4.13Å; F156-L479 HydrophobicContact CE2-CD1 4.13Å; F156-L479 HydrophobicContact CE2-CD2 4.14Å; F156-L479 HydrophobicContact CE2-CG 4.42Å; F156-L479 HydrophobicContact CG-CD1 3.95Å; F156-L479 HydrophobicContact CZ-CD1 4.19Å; F156-P492 HydrophobicContact CB-CB 3.89Å; F156-P492 HydrophobicContact CB-CG 3.91Å
157C81.2Confident77.8Confident17 Ų1770.3 Ų70.312%0.11538%0.375CS..  trans-88.499.9-178.4-62.90000111T186 M190 I200C157-T186 HydrophobicContact CB-CG2 3.61Å; C157-M190 WeakPolarHBondContact SG-CG 3.29Å; C157-M190 PolarHBondContact SG-SD 3.36Å; C157-I200 PolarHBondContact N-O 2.95Å; C157-I200 PolarHBondContact SG-O 3.28Å
158T64.2Low77.5Confident65 Ų6575.1 Ų75.140%0.39939%0.393SS..  trans-96.4-10.7-17250.30000115.2F156 P492F156-T158 PolarHBondContact O-N 3.14Å; T158-P492 HydrophobicContact CG2-CB 3.88Å; T158-P492 HydrophobicContact CG2-CG 4.48Å
159K61.5Low77.2Confident151 Ų15175.1 Ų75.166%0.65739%0.393SS*.SBendtrans-133.4146.7-172.9-71.4-171.4177.4-175.20112.9L161K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 HydrophobicContact CB-CD1 4.07Å; K159-L161 PolarHBondContact O-N 2.89Å
160D57.6Low76.9Confident82 Ų8273.5 Ų73.544%0.43938%0.384SS..  trans-69.685.2157.9-57.8-67.9000108.5L162 K182D160-L162 PolarHBondContact O-N 3.28Å; D160-L162 VanDerWaalsContact O-N 3.12Å; D160-K182 WeakPolarHBondContact OD1-CE 3.39Å; D160-K182 IonicContact OD1-NZ 2.74Å; D160-K182 PolarHBondContact OD1-NZ 3.48Å; D160-K182 IonicContact OD2-NZ 3.01Å; D160-K182 PolarHBondContact OD2-NZ 2.69Å
161L57.5Low76.8Confident78 Ų7870.2 Ų70.241%0.40837%0.374SS..  trans-67.1109.6171.1-86.487.5000108.2K159 T163 A189K159-L161 VanDerWaalsContact C-N 3.27Å; K159-L161 HydrophobicContact CB-CD1 4.07Å; K159-L161 PolarHBondContact O-N 2.89Å; L161-T163 PolarHBondContact O-N 3.07Å; L161-A189 HydrophobicContact CB-CB 3.6Å
162L55Low76.8Confident175 Ų17569.7 Ų69.792%0.91637%0.369SS*.  trans-57.4121173.9-63.8174.2000109.5D160D160-L162 PolarHBondContact O-N 3.28Å; D160-L162 VanDerWaalsContact O-N 3.12Å
163T64.1Low76.9Confident45 Ų4566.5 Ų66.528%0.27635%0.351SS..  trans-120.5149.7169.663.30000109L161 T165 Y188 A189 R221L161-T163 PolarHBondContact O-N 3.07Å; T163-T165 VanDerWaalsContact C-N 3.33Å; T163-T165 PolarHBondContact O-N 2.86Å; T163-T165 PolarHBondContact O-OG1 2.71Å; T163-Y188 HydrophobicContact CG2-CD1 4.42Å; T163-Y188 HydrophobicContact CG2-CE1 4.44Å; T163-A189 HydrophobicContact CG2-CB 3.7Å; T163-R221 PolarHBondContact OG1-NH2 3.27Å
164T64.3Low77.1Confident147 Ų14774.9 Ų74.990%0.90238%0.381SS*.  trans-72.987.2176.531.60000110.2
165T76.5Confident77.3Confident31 Ų3173.2 Ų73.219%0.1938%0.375CS..  trans-73123.5178.2-47.40000110.6T163 I169 I170 L173 R221T163-T165 VanDerWaalsContact C-N 3.33Å; T163-T165 PolarHBondContact O-N 2.86Å; T163-T165 PolarHBondContact O-OG1 2.71Å; T165-I169 HydrophobicContact CG2-CB 3.81Å; T165-I169 HydrophobicContact CG2-CG2 3.49Å; T165-I169 VanDerWaalsContact CG2-CG2 3.49Å; T165-I170 HydrophobicContact CG2-CG1 3.77Å; T165-L173 HydrophobicContact CG2-CD1 4.49Å; T165-R221 PolarHBondContact OG1-NH2 3.01Å
166S76.9Confident77.6Confident25 Ų2573.2 Ų73.218%0.17537%0.374CS..  trans-71.2149.1178.259.90000112.3R168 I169 I170 E225S166-R168 PolarHBondContact O-N 3.37Å; S166-R168 VanDerWaalsContact O-N 3.11Å; S166-I169 CarbonylContact O-C 3.51Å; S166-I169 WeakPolarHBondContact O-CA 3.41Å; S166-I169 WeakPolarHBondContact O-CB 3.39Å; S166-I169 PolarHBondContact O-N 3.47Å; S166-I169 WeakPolarHBondContact OG-CG1 3.48Å; S166-I170 PolarHBondContact O-N 3.14Å; S166-E225 WeakPolarHBondContact CB-OE1 3.49Å; S166-E225 PolarHBondContact N-OE1 2.87Å; S166-E225 PolarHBondContact OG-OE1 3.42Å
167E80.4Confident77.9Confident170 Ų17074.1 Ų74.179%0.79438%0.379SS*.Hα-helixtrans-52.7-37-178.7-61.7177.5146.900113.6I169 I170 A171E167-I169 VanDerWaalsContact C-N 3.29Å; E167-I169 PolarHBondContact O-N 2.82Å; E167-I170 PolarHBondContact O-N 2.75Å; E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 3Å
168R83.3Confident78.5Confident101 Ų10179.2 Ų79.238%0.38140%0.401SS..Hα-helixtrans-61.5-37.5174.9-172.6-178.5-177-150.7-0.7111.9S166 Y172 Y220 K269S166-R168 PolarHBondContact O-N 3.37Å; S166-R168 VanDerWaalsContact O-N 3.11Å; R168-Y172 VanDerWaalsContact O-CB 3.27Å; R168-Y172 WeakPolarHBondContact O-CB 3.49Å; R168-Y172 PolarHBondContact O-N 3.21Å; R168-Y220 PolarHBondContact NH2-OH 3.35Å; R168-K269 PolarHBondContact NH2-O 2.93Å
169I85.3Confident79.9Confident0 Ų078.2 Ų78.20%039%0.393CS..Hα-helixtrans-77.4-38.1175.4-62.5-59.6000110.9T165 S166 E167 A171 Y172 L173 Y220 R221 T224 E225T165-I169 HydrophobicContact CG2-CB 3.81Å; T165-I169 HydrophobicContact CG2-CG2 3.49Å; T165-I169 VanDerWaalsContact CG2-CG2 3.49Å; S166-I169 CarbonylContact O-C 3.51Å; S166-I169 WeakPolarHBondContact O-CA 3.41Å; S166-I169 WeakPolarHBondContact O-CB 3.39Å; S166-I169 PolarHBondContact O-N 3.47Å; S166-I169 WeakPolarHBondContact OG-CG1 3.48Å; E167-I169 VanDerWaalsContact C-N 3.29Å; E167-I169 PolarHBondContact O-N 2.82Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 3.39Å; I169-Y172 PolarHBondContact O-N 3.24Å; I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.12Å; I169-L173 WeakPolarHBondContact O-CB 3.31Å; I169-L173 VanDerWaalsContact O-CG 3.25Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.49Å; I169-Y220 HydrophobicContact CD1-CD1 4.1Å; I169-Y220 HydrophobicContact CD1-CE1 3.86Å; I169-R221 HydrophobicContact CD1-CB 4.27Å; I169-R221 HydrophobicContact CD1-CG 4.19Å; I169-R221 HydrophobicContact CG1-CG 4.3Å; I169-R221 HydrophobicContact CG2-CB 4.5Å; I169-R221 HydrophobicContact CG2-CG 3.92Å; I169-T224 HydrophobicContact CD1-CG2 4.29Å; I169-E225 WeakPolarHBondContact CG1-OE1 3.11Å
170I85.7Confident81.6Confident86 Ų8671.1 Ų71.144%0.44136%0.362SS..Hα-helixtrans-58.3-44.9172.4-62.2175000110.6T165 S166 E167 L173 R174T165-I170 HydrophobicContact CG2-CG1 3.77Å; S166-I170 PolarHBondContact O-N 3.14Å; E167-I170 PolarHBondContact O-N 2.75Å; I170-L173 PolarHBondContact O-N 2.79Å; I170-R174 PolarHBondContact O-N 2.82Å
171A87.3Confident83.4Confident50 Ų5069.6 Ų69.641%0.41335%0.352SS..Hα-helixtrans-64.1-47175.600000112E167 I169 L173 R174E167-A171 WeakPolarHBondContact O-CB 3.45Å; E167-A171 PolarHBondContact O-N 3Å; I169-A171 VanDerWaalsContact C-N 3.31Å; I169-A171 PolarHBondContact O-N 3.39Å; A171-L173 VanDerWaalsContact C-N 3.31Å; A171-L173 PolarHBondContact O-N 3.08Å; A171-R174 VanDerWaalsContact O-CB 3.28Å; A171-R174 WeakPolarHBondContact O-CB 3.49Å; A171-R174 WeakPolarHBondContact O-CG 3.3Å; A171-R174 PolarHBondContact O-N 3.47Å; A171-R174 VanDerWaalsContact O-N 3.13Å
172Y89.4Confident85Confident13 Ų1370.2 Ų70.25%0.05135%0.351CS..Hα-helixtrans-57.4-40.9175.7177.1-88.5000112.8R168 I169 R174 D175 F176 Y220 E265 K269R168-Y172 VanDerWaalsContact O-CB 3.27Å; R168-Y172 WeakPolarHBondContact O-CB 3.49Å; R168-Y172 PolarHBondContact O-N 3.21Å; I169-Y172 PolarHBondContact O-N 3.24Å; Y172-R174 PolarHBondContact O-N 2.83Å; Y172-D175 PolarHBondContact O-N 3.19Å; Y172-F176 AromaticContact CD1-CE2 3.96Å; Y172-F176 HydrophobicContact CD1-CE2 3.96Å; Y172-F176 HydrophobicContact CE1-CD2 4.49Å; Y172-F176 AromaticContact CE1-CE2 3.42Å; Y172-F176 HydrophobicContact CE1-CE2 3.42Å; Y172-F176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-F176 AromaticContact CE1-CZ 3.69Å; Y172-F176 HydrophobicContact CE1-CZ 3.69Å; Y172-F176 AromaticContact CZ-CE2 3.9Å; Y172-F176 AromaticContact CZ-CZ 4Å; Y172-Y220 AromaticContact CD1-CD1 3.79Å; Y172-Y220 HydrophobicContact CD1-CD1 3.79Å; Y172-Y220 HydrophobicContact CD1-CE1 4.13Å; Y172-Y220 AromaticContact CD2-CD1 3.48Å; Y172-Y220 HydrophobicContact CD2-CD1 3.48Å; Y172-Y220 VanDerWaalsContact CD2-CD1 3.48Å; Y172-Y220 AromaticContact CD2-CE1 3.23Å; Y172-Y220 HydrophobicContact CD2-CE1 3.23Å; Y172-Y220 HydrophobicContact CD2-CE2 4.48Å; Y172-Y220 HydrophobicContact CD2-CG 4.21Å; Y172-Y220 AromaticContact CD2-CZ 3.78Å; Y172-Y220 AromaticContact CE1-CD1 3.66Å; Y172-Y220 HydrophobicContact CE1-CD1 3.66Å; Y172-Y220 HydrophobicContact CE1-CE1 4.38Å; Y172-Y220 HydrophobicContact CE1-CG 4.19Å; Y172-Y220 AromaticContact CE2-CD1 3.32Å; Y172-Y220 HydrophobicContact CE2-CD1 3.32Å; Y172-Y220 HydrophobicContact CE2-CD2 4.04Å; Y172-Y220 AromaticContact CE2-CE1 3.51Å; Y172-Y220 HydrophobicContact CE2-CE1 3.51Å; Y172-Y220 HydrophobicContact CE2-CE2 4.2Å; Y172-Y220 AromaticContact CE2-CG 3.59Å; Y172-Y220 HydrophobicContact CE2-CG 3.59Å; Y172-Y220 AromaticContact CE2-CZ 3.95Å; Y172-Y220 AromaticContact CG-CD1 3.73Å; Y172-Y220 HydrophobicContact CG-CD1 3.73Å; Y172-Y220 AromaticContact CG-CE1 3.59Å; Y172-Y220 HydrophobicContact CG-CE1 3.59Å; Y172-Y220 AromaticContact CZ-CD1 3.46Å; Y172-Y220 VanDerWaalsContact CZ-CD1 3.46Å; Y172-Y220 AromaticContact CZ-CG 3.63Å; Y172-E265 WeakPolarHBondContact CE2-OE1 3.46Å; Y172-E265 VanDerWaalsContact CZ-OE1 3.32Å; Y172-E265 VanDerWaalsContact OH-CD 3.22Å; Y172-E265 PolarHBondContact OH-OE1 3.1Å; Y172-K269 HydrophobicContact CD2-CD 3.91Å; Y172-K269 HydrophobicContact CE2-CD 3.64Å
173L89.8Confident86.9Confident9 Ų961.9 Ų61.95%0.04731%0.307CS..G310 helixtrans-71.1-9-179.5-73.6174.1000113.4T165 I169 I170 A171 D175 F176 K181 I184T165-L173 HydrophobicContact CG2-CD1 4.49Å; I169-L173 HydrophobicContact CG2-CD1 3.77Å; I169-L173 HydrophobicContact CG2-CG 4.12Å; I169-L173 WeakPolarHBondContact O-CB 3.31Å; I169-L173 VanDerWaalsContact O-CG 3.25Å; I169-L173 WeakPolarHBondContact O-CG 3.47Å; I169-L173 PolarHBondContact O-N 3.49Å; I170-L173 PolarHBondContact O-N 2.79Å; A171-L173 VanDerWaalsContact C-N 3.31Å; A171-L173 PolarHBondContact O-N 3.08Å; L173-D175 PolarHBondContact O-N 3.35Å; L173-F176 HydrophobicContact CD2-CD2 4.35Å; L173-F176 PolarHBondContact O-N 2.87Å; L173-K181 HydrophobicContact CB-CG 4.3Å; L173-K181 WeakPolarHBondContact O-CE 3.39Å; L173-I184 HydrophobicContact CD2-CB 4.37Å; L173-I184 HydrophobicContact CD2-CD1 3.89Å; L173-I184 HydrophobicContact CD2-CG2 4.06Å
174R91.8Very high88.4Confident194 Ų19459.7 Ų59.773%0.73229%0.294SS*.G310 helixtrans-64.7-23.5171.1-61.7178.8-178.3-175.4-0.6112.7I170 A171 Y172 F176I170-R174 PolarHBondContact O-N 2.82Å; A171-R174 VanDerWaalsContact O-CB 3.28Å; A171-R174 WeakPolarHBondContact O-CB 3.49Å; A171-R174 WeakPolarHBondContact O-CG 3.3Å; A171-R174 PolarHBondContact O-N 3.47Å; A171-R174 VanDerWaalsContact O-N 3.13Å; Y172-R174 PolarHBondContact O-N 2.83Å; R174-F176 PolarHBondContact O-N 3.14Å; R174-F176 VanDerWaalsContact O-N 3.16Å
175D91.8Very high89.6Confident88 Ų8854.9 Ų54.947%0.47126%0.262SS..G310 helixtrans-70-3.7176-64.7-18.3000113.3Y172 L173 K213 K269Y172-D175 PolarHBondContact O-N 3.19Å; L173-D175 PolarHBondContact O-N 3.35Å; D175-K213 PolarHBondContact O-NZ 3.36Å; D175-K269 IonicContact OD2-NZ 3.74Å; D175-K269 PolarHBondContact OD2-NZ 2.95Å
176F95.6Very high90.4Very high9 Ų953.7 Ų53.74%0.03925%0.254CS..SBendtrans-122.8152-169.5-62.1-105.8000111.1Y172 L173 R174 Q180 K181 I184 K213Y172-F176 AromaticContact CD1-CE2 3.96Å; Y172-F176 HydrophobicContact CD1-CE2 3.96Å; Y172-F176 HydrophobicContact CE1-CD2 4.49Å; Y172-F176 AromaticContact CE1-CE2 3.42Å; Y172-F176 HydrophobicContact CE1-CE2 3.42Å; Y172-F176 VanDerWaalsContact CE1-CE2 3.42Å; Y172-F176 AromaticContact CE1-CZ 3.69Å; Y172-F176 HydrophobicContact CE1-CZ 3.69Å; Y172-F176 AromaticContact CZ-CE2 3.9Å; Y172-F176 AromaticContact CZ-CZ 4Å; L173-F176 HydrophobicContact CD2-CD2 4.35Å; L173-F176 PolarHBondContact O-N 2.87Å; R174-F176 PolarHBondContact O-N 3.14Å; R174-F176 VanDerWaalsContact O-N 3.16Å; F176-Q180 HydrophobicContact CB-CB 4.06Å; F176-Q180 HydrophobicContact CD1-CB 4.1Å; F176-K181 HydrophobicContact CB-CG 4.02Å; F176-K181 VanDerWaalsContact O-CE 3.27Å; F176-K181 WeakPolarHBondContact O-CE 3.19Å; F176-I184 HydrophobicContact CD1-CD1 3.72Å; F176-I184 HydrophobicContact CE1-CD1 3.69Å; F176-I184 HydrophobicContact CG-CD1 4.34Å; F176-I184 HydrophobicContact CZ-CD1 4.32Å; F176-K213 HydrophobicContact CD1-CD 4.47Å; F176-K213 HydrophobicContact CD1-CG 4.34Å; F176-K213 HydrophobicContact CE1-CD 4.21Å; F176-K213 HydrophobicContact CE1-CG 3.72Å; F176-K213 HydrophobicContact CZ-CG 4.27Å
177N95.9Very high91.1Very high21 Ų2152.5 Ų52.511%0.11225%0.246CC..  trans-79.5167.8171.768.546.9000111.8D179 Q180 K181 Y500N177-D179 VanDerWaalsContact C-N 3.33Å; N177-D179 PolarHBondContact O-N 3.27Å; N177-D179 WeakPolarHBondContact OD1-CB 3.44Å; N177-D179 PolarHBondContact OD1-N 3.04Å; N177-Q180 VanDerWaalsContact ND2-CD 3.3Å; N177-Q180 PolarHBondContact ND2-NE2 3.05Å; N177-Q180 PolarHBondContact O-N 3.11Å; N177-Q180 VanDerWaalsContact O-N 3.15Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.22Å; N177-Q180 VanDerWaalsContact OD1-CG 3.3Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.46Å; N177-Q180 PolarHBondContact OD1-N 2.84Å; N177-K181 WeakPolarHBondContact O-CG 3.23Å; N177-K181 PolarHBondContact O-N 3.44Å; N177-Y500 PolarHBondContact ND2-OH 3.22Å
178E94.3Very high91.7Very high124 Ų12445.2 Ų45.258%0.57921%0.211SC*.Hα-helixtrans-60.3-37.1-175.5-52.8-39.311700113.8Q180 K181 K182E178-Q180 PolarHBondContact O-N 2.89Å; E178-K181 VanDerWaalsContact CD-NZ 3.26Å; E178-K181 PolarHBondContact O-N 3.04Å; E178-K181 IonicContact OE1-NZ 2.78Å; E178-K181 PolarHBondContact OE1-NZ 3.02Å; E178-K181 VanDerWaalsContact OE2-CD 3.23Å; E178-K181 WeakPolarHBondContact OE2-CD 3.25Å; E178-K181 IonicContact OE2-NZ 3.9Å; E178-K181 PolarHBondContact OE2-NZ 3.34Å; E178-K181 VanDerWaalsContact OE2-NZ 3.07Å; E178-K182 VanDerWaalsContact O-CB 3.26Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 PolarHBondContact O-N 2.83Å
179D94.8Very high91.9Very high43 Ų4340.6 Ų40.623%0.2319%0.194CC..Hα-helixtrans-63.9-43.5176.6-47.8-29.5000111.1N177 A183 L496 T497N177-D179 VanDerWaalsContact C-N 3.33Å; N177-D179 PolarHBondContact O-N 3.27Å; N177-D179 WeakPolarHBondContact OD1-CB 3.44Å; N177-D179 PolarHBondContact OD1-N 3.04Å; D179-A183 VanDerWaalsContact O-CB 3.26Å; D179-A183 WeakPolarHBondContact O-CB 3.38Å; D179-A183 PolarHBondContact O-N 3.42Å; D179-L496 HydrophobicContact CB-CD2 3.95Å; D179-T497 WeakPolarHBondContact OD2-CA 3.5Å; D179-T497 VanDerWaalsContact OD2-CB 3.29Å; D179-T497 WeakPolarHBondContact OD2-CB 3.23Å; D179-T497 PolarHBondContact OD2-N 2.82Å; D179-T497 PolarHBondContact OD2-OG1 3.43Å
180Q96.7Very high92.1Very high3 Ų341 Ų411%0.01420%0.196CC..Hα-helixtrans-68.3-41.6177.9-69.2170.7-8.100111.5F176 N177 E178 A183 I184 T209 T214 L496F176-Q180 HydrophobicContact CB-CB 4.06Å; F176-Q180 HydrophobicContact CD1-CB 4.1Å; N177-Q180 VanDerWaalsContact ND2-CD 3.3Å; N177-Q180 PolarHBondContact ND2-NE2 3.05Å; N177-Q180 PolarHBondContact O-N 3.11Å; N177-Q180 VanDerWaalsContact O-N 3.15Å; N177-Q180 WeakPolarHBondContact OD1-CB 3.22Å; N177-Q180 VanDerWaalsContact OD1-CG 3.3Å; N177-Q180 WeakPolarHBondContact OD1-CG 3.46Å; N177-Q180 PolarHBondContact OD1-N 2.84Å; E178-Q180 PolarHBondContact O-N 2.89Å; Q180-A183 PolarHBondContact O-N 3.19Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 VanDerWaalsContact O-CG1 3.26Å; Q180-I184 WeakPolarHBondContact O-CG1 3.3Å; Q180-I184 PolarHBondContact O-N 2.74Å; Q180-T209 PolarHBondContact NE2-O 2.66Å; Q180-T214 HydrophobicContact CB-CG2 4.46Å; Q180-L496 HydrophobicContact CG-CD2 4Å
181K94.8Very high92.3Very high49 Ų4937.5 Ų37.521%0.21318%0.179CC..Hα-helixtrans-59-52.4172.9-72.4168.2175.8167.40110.5L173 F176 N177 E178 A183 I184 E185L173-K181 HydrophobicContact CB-CG 4.3Å; L173-K181 WeakPolarHBondContact O-CE 3.39Å; F176-K181 HydrophobicContact CB-CG 4.02Å; F176-K181 VanDerWaalsContact O-CE 3.27Å; F176-K181 WeakPolarHBondContact O-CE 3.19Å; N177-K181 WeakPolarHBondContact O-CG 3.23Å; N177-K181 PolarHBondContact O-N 3.44Å; E178-K181 VanDerWaalsContact CD-NZ 3.26Å; E178-K181 PolarHBondContact O-N 3.04Å; E178-K181 IonicContact OE1-NZ 2.78Å; E178-K181 PolarHBondContact OE1-NZ 3.02Å; E178-K181 VanDerWaalsContact OE2-CD 3.23Å; E178-K181 WeakPolarHBondContact OE2-CD 3.25Å; E178-K181 IonicContact OE2-NZ 3.9Å; E178-K181 PolarHBondContact OE2-NZ 3.34Å; E178-K181 VanDerWaalsContact OE2-NZ 3.07Å; K181-A183 VanDerWaalsContact C-N 3.32Å; K181-A183 PolarHBondContact O-N 2.74Å; K181-I184 CarbonylContact O-C 3.6Å; K181-I184 PolarHBondContact O-N 2.94Å; K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 3.06Å
182K91.9Very high92.2Very high91 Ų9138.7 Ų38.740%0.39618%0.175SC..Hα-helixtrans-56.4-46.6177.1-172.4-174-176.675.30111.1D160 E178 I184 E185 T186 L494D160-K182 WeakPolarHBondContact OD1-CE 3.39Å; D160-K182 IonicContact OD1-NZ 2.74Å; D160-K182 PolarHBondContact OD1-NZ 3.48Å; D160-K182 IonicContact OD2-NZ 3.01Å; D160-K182 PolarHBondContact OD2-NZ 2.69Å; E178-K182 VanDerWaalsContact O-CB 3.26Å; E178-K182 WeakPolarHBondContact O-CB 3.28Å; E178-K182 PolarHBondContact O-N 2.83Å; K182-I184 VanDerWaalsContact C-N 3.29Å; K182-I184 PolarHBondContact O-N 3.23Å; K182-E185 PolarHBondContact O-N 3.49Å; K182-T186 WeakPolarHBondContact O-CB 3.39Å; K182-T186 PolarHBondContact O-N 3.32Å; K182-T186 PolarHBondContact O-OG1 3.26Å; K182-L494 HydrophobicContact CD-CD2 4.47Å; K182-L494 HydrophobicContact CG-CD2 4.46Å
183A94.6Very high91.8Very high0 Ų042.2 Ų42.20%019%0.192CC..Hα-helixtrans-58.5-39.2176.200000112.7D179 Q180 K181 A187 I203 T214 L494 L496D179-A183 VanDerWaalsContact O-CB 3.26Å; D179-A183 WeakPolarHBondContact O-CB 3.38Å; D179-A183 PolarHBondContact O-N 3.42Å; Q180-A183 PolarHBondContact O-N 3.19Å; K181-A183 VanDerWaalsContact C-N 3.32Å; K181-A183 PolarHBondContact O-N 2.74Å; A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 2.97Å; A183-I203 HydrophobicContact CB-CD1 4.17Å; A183-I203 HydrophobicContact CB-CG1 4.38Å; A183-I203 HydrophobicContact CB-CG2 4.33Å; A183-T214 HydrophobicContact CB-CG2 3.77Å; A183-L494 HydrophobicContact CB-CB 4.35Å; A183-L496 HydrophobicContact CB-CD2 4.17Å
184I94.6Very high91.2Very high0 Ų044.3 Ų44.30%021%0.207CC..Hα-helixtrans-71.2-46175.3-67.5162.4000111.7L173 F176 Q180 K181 K182 Y188 T214 L218L173-I184 HydrophobicContact CD2-CB 4.37Å; L173-I184 HydrophobicContact CD2-CD1 3.89Å; L173-I184 HydrophobicContact CD2-CG2 4.06Å; F176-I184 HydrophobicContact CD1-CD1 3.72Å; F176-I184 HydrophobicContact CE1-CD1 3.69Å; F176-I184 HydrophobicContact CG-CD1 4.34Å; F176-I184 HydrophobicContact CZ-CD1 4.32Å; Q180-I184 WeakPolarHBondContact O-CD1 3.33Å; Q180-I184 VanDerWaalsContact O-CG1 3.26Å; Q180-I184 WeakPolarHBondContact O-CG1 3.3Å; Q180-I184 PolarHBondContact O-N 2.74Å; K181-I184 CarbonylContact O-C 3.6Å; K181-I184 PolarHBondContact O-N 2.94Å; K182-I184 VanDerWaalsContact C-N 3.29Å; K182-I184 PolarHBondContact O-N 3.23Å; I184-Y188 WeakPolarHBondContact O-CB 3.25Å; I184-Y188 PolarHBondContact O-N 2.78Å; I184-T214 HydrophobicContact CD1-CG2 4.4Å; I184-T214 HydrophobicContact CG1-CG2 3.96Å; I184-L218 HydrophobicContact CG1-CB 4.28Å
185E91.4Very high90.2Very high46 Ų4639.9 Ų39.922%0.21520%0.204CC..Hα-helixtrans-56.9-56.8176.7-72.1-63.5150.300111.3K181 K182 A187 Y188 A189 R221K181-E185 WeakPolarHBondContact O-CG 3.41Å; K181-E185 PolarHBondContact O-N 3.06Å; K182-E185 PolarHBondContact O-N 3.49Å; E185-A187 PolarHBondContact O-N 3.41Å; E185-Y188 PolarHBondContact O-N 3.46Å; E185-A189 WeakPolarHBondContact O-CB 3.36Å; E185-A189 PolarHBondContact O-N 3.47Å; E185-R221 IonicContact OE1-CZ 3.55Å; E185-R221 IonicContact OE1-NH1 3.14Å; E185-R221 PolarHBondContact OE1-NH1 3.47Å; E185-R221 IonicContact OE1-NH2 2.78Å; E185-R221 PolarHBondContact OE1-NH2 3.39Å; E185-R221 IonicContact OE2-CZ 2.71Å; E185-R221 IonicContact OE2-NH1 2.72Å; E185-R221 PolarHBondContact OE2-NH1 2.84Å; E185-R221 IonicContact OE2-NH2 3.58Å; E185-R221 PolarHBondContact OE2-NH2 2.87Å
186T91.5Very high89.4Confident5 Ų539.5 Ų39.53%0.03121%0.208CC..Hα-helixtrans-61.7-43.4-177.1-52.60000111.5C157 K182 M190 L494C157-T186 HydrophobicContact CB-CG2 3.61Å; K182-T186 WeakPolarHBondContact O-CB 3.39Å; K182-T186 PolarHBondContact O-N 3.32Å; K182-T186 PolarHBondContact O-OG1 3.26Å; T186-M190 WeakPolarHBondContact O-CB 3.28Å; T186-M190 PolarHBondContact O-N 3.05Å; T186-L494 HydrophobicContact CG2-CD1 3.89Å; T186-L494 HydrophobicContact CG2-CD2 4.41Å
187A92.9Very high88.8Confident0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-68.5-41.1178.400000112.5A183 E185 M190 V191 L218 I445A183-A187 WeakPolarHBondContact O-CB 3.26Å; A183-A187 PolarHBondContact O-N 2.97Å; E185-A187 PolarHBondContact O-N 3.41Å; A187-M190 PolarHBondContact O-N 3.18Å; A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 2.88Å; A187-V191 VanDerWaalsContact O-N 3.16Å; A187-L218 HydrophobicContact CB-CD1 3.87Å; A187-L218 HydrophobicContact CB-CD2 3.69Å; A187-L218 HydrophobicContact CB-CG 4.43Å; A187-I445 HydrophobicContact CB-CD1 4.15Å
188Y91.9Very high88.4Confident18 Ų1841.5 Ų41.57%0.07122%0.224CC..Hα-helixtrans-59.9-49174.8173.9-104.8000111T163 I184 E185 M190 V191 K192 R221 L222 E225T163-Y188 HydrophobicContact CG2-CD1 4.42Å; T163-Y188 HydrophobicContact CG2-CE1 4.44Å; I184-Y188 WeakPolarHBondContact O-CB 3.25Å; I184-Y188 PolarHBondContact O-N 2.78Å; E185-Y188 PolarHBondContact O-N 3.46Å; Y188-M190 PolarHBondContact O-N 3.01Å; Y188-V191 PolarHBondContact O-N 2.65Å; Y188-K192 HydrophobicContact CD1-CG 4.39Å; Y188-K192 HydrophobicContact CD2-CG 4.17Å; Y188-K192 HydrophobicContact CE1-CG 4.03Å; Y188-K192 HydrophobicContact CE2-CD 4.18Å; Y188-K192 HydrophobicContact CE2-CG 3.75Å; Y188-K192 HydrophobicContact CG-CG 4.46Å; Y188-K192 WeakPolarHBondContact O-CB 3.27Å; Y188-K192 WeakPolarHBondContact O-CG 3.29Å; Y188-K192 PolarHBondContact O-N 3.48Å; Y188-R221 VanDerWaalsContact CD1-CZ 3.46Å; Y188-R221 VanDerWaalsContact CD1-NE 3.31Å; Y188-R221 HydrophobicContact CD2-CG 3.8Å; Y188-R221 HydrophobicContact CE2-CG 3.89Å; Y188-R221 HydrophobicContact CG-CG 4.23Å; Y188-L222 HydrophobicContact CD2-CD2 3.67Å; Y188-L222 HydrophobicContact CD2-CG 4.1Å; Y188-L222 HydrophobicContact CE2-CD2 4.14Å; Y188-E225 WeakPolarHBondContact OH-CG 3.3Å; Y188-E225 PolarHBondContact OH-OE2 3.1Å
189A88.8Confident88.3Confident3 Ų337.7 Ų37.73%0.02521%0.205CC..Hα-helixtrans-63.3-38.5178.800000112.6L161 T163 E185 V191 K192 H193L161-A189 HydrophobicContact CB-CB 3.6Å; T163-A189 HydrophobicContact CG2-CB 3.7Å; E185-A189 WeakPolarHBondContact O-CB 3.36Å; E185-A189 PolarHBondContact O-N 3.47Å; A189-V191 VanDerWaalsContact C-N 3.33Å; A189-V191 PolarHBondContact O-N 2.8Å; A189-K192 PolarHBondContact O-N 3.49Å; A189-H193 WeakPolarHBondContact O-CB 3.07Å; A189-H193 PolarHBondContact O-N 3.42Å
190M89.8Confident88.3Confident8 Ų835.7 Ų35.74%0.03919%0.194CC..Hα-helixtrans-58.3-43.3173.6-176.2-154.559.500112.3C157 T186 A187 Y188 K199 C201 K443 I445C157-M190 WeakPolarHBondContact SG-CG 3.29Å; C157-M190 PolarHBondContact SG-SD 3.36Å; T186-M190 WeakPolarHBondContact O-CB 3.28Å; T186-M190 PolarHBondContact O-N 3.05Å; A187-M190 PolarHBondContact O-N 3.18Å; Y188-M190 PolarHBondContact O-N 3.01Å; M190-K199 HydrophobicContact CG-CB 3.49Å; M190-K199 VanDerWaalsContact CG-CB 3.49Å; M190-K199 HydrophobicContact CG-CG 4.09Å; M190-K199 HydrophobicContact SD-CB 3.59Å; M190-K199 VanDerWaalsContact SD-CB 3.59Å; M190-C201 HydrophobicContact CE-CB 4.09Å; M190-C201 HydrophobicContact SD-CB 3.72Å; M190-K443 HydrophobicContact CE-CB 3.97Å; M190-K443 WeakPolarHBondContact O-CD 3.43Å; M190-K443 WeakPolarHBondContact O-CE 3.48Å; M190-K443 PolarHBondContact O-NZ 3.19Å; M190-I445 HydrophobicContact CE-CD1 3.85Å; M190-I445 HydrophobicContact CE-CG1 3.56Å
191V89.4Confident88.3Confident14 Ų1435.5 Ų35.59%0.08519%0.193CC..Hα-helixtrans-74-32.3-179.5177.20000111.8A187 Y188 A189 L222 C419 K443 I445A187-V191 WeakPolarHBondContact O-CG2 3.33Å; A187-V191 PolarHBondContact O-N 2.88Å; A187-V191 VanDerWaalsContact O-N 3.16Å; Y188-V191 PolarHBondContact O-N 2.65Å; A189-V191 VanDerWaalsContact C-N 3.33Å; A189-V191 PolarHBondContact O-N 2.8Å; V191-L222 HydrophobicContact CB-CD2 4Å; V191-L222 HydrophobicContact CG1-CD2 3.71Å; V191-C419 HydrophobicContact CG1-CB 4.22Å; V191-C419 HydrophobicContact CG2-CB 3.68Å; V191-K443 HydrophobicContact CG2-CB 4.45Å; V191-I445 HydrophobicContact CG2-CD1 4.05Å
192K85.3Confident88.4Confident75 Ų7533.2 Ų33.233%0.32618%0.184SC..Hα-helixtrans-80.8-23.2176.4-68.7-72131.3-174.10113.7Y188 A189 N226 N243Y188-K192 HydrophobicContact CD1-CG 4.39Å; Y188-K192 HydrophobicContact CD2-CG 4.17Å; Y188-K192 HydrophobicContact CE1-CG 4.03Å; Y188-K192 HydrophobicContact CE2-CD 4.18Å; Y188-K192 HydrophobicContact CE2-CG 3.75Å; Y188-K192 HydrophobicContact CG-CG 4.46Å; Y188-K192 WeakPolarHBondContact O-CB 3.27Å; Y188-K192 WeakPolarHBondContact O-CG 3.29Å; Y188-K192 PolarHBondContact O-N 3.48Å; A189-K192 PolarHBondContact O-N 3.49Å; K192-N226 PolarHBondContact NZ-ND2 2.74Å; K192-N226 PolarHBondContact NZ-OD1 3.08Å; K192-N243 PolarHBondContact NZ-OD1 3.34Å
193H80.1Confident88.6Confident87 Ų8729 Ų2940%0.40317%0.165SC..SBendtrans-63.6149.1171.3-167.9-81.3000111.4A189 K443A189-H193 WeakPolarHBondContact O-CB 3.07Å; A189-H193 PolarHBondContact O-N 3.42Å; H193-K443 WeakPolarHBondContact O-CE 3.3Å; H193-K443 PolarHBondContact O-NZ 3.43Å
194S76.7Confident88.7Confident52 Ų5229.6 Ų29.636%0.36417%0.168SC..  trans-30.5130.1-173.7179.40000114.9S196 V197 K443S194-S196 PolarHBondContact O-N 2.81Å; S194-S196 PolarHBondContact OG-N 3.17Å; S194-S196 PolarHBondContact OG-OG 2.91Å; S194-V197 PolarHBondContact O-N 3.05Å; S194-V197 VanDerWaalsContact O-N 3.12Å; S194-K443 PolarHBondContact O-NZ 3.48Å
195P72.1Confident88.8Confident102 Ų10229.6 Ų29.666%0.66217%0.168SC*.THydrogen-bonded Turntrans-68-17.3-176.928.8-35.9000113.5V197 N442P195-V197 VanDerWaalsContact C-N 3.26Å; P195-V197 PolarHBondContact O-N 3.02Å; P195-N442 PolarHBondContact O-ND2 3.4Å
196S74.7Confident89.1Confident80 Ų8027.5 Ų27.556%0.55916%0.158SC*.THydrogen-bonded Turntrans-78-6.1174.260.90000114.2Q143 S194Q143-S196 PolarHBondContact OE1-O 2.89Å; S194-S196 PolarHBondContact O-N 2.81Å; S194-S196 PolarHBondContact OG-N 3.17Å; S194-S196 PolarHBondContact OG-OG 2.91Å
197V82.3Confident89.2Confident51 Ų5127.5 Ų27.531%0.30916%0.158SC..SBendtrans-103.9104.2-178.9-176.20000109.6S194 P195 K199 K443S194-V197 PolarHBondContact O-N 3.05Å; S194-V197 VanDerWaalsContact O-N 3.12Å; P195-V197 VanDerWaalsContact C-N 3.26Å; P195-V197 PolarHBondContact O-N 3.02Å; V197-K199 HydrophobicContact CG1-CG 4.23Å; V197-K443 PolarHBondContact O-NZ 2.92Å
198A88.8Confident89.3Confident21 Ų2128.6 Ų28.617%0.17417%0.17CC..  trans-62.7131.7173.800000111.3Q143 L144 N442Q143-A198 HydrophobicContact CB-CB 3.85Å; L144-A198 HydrophobicContact CD2-CB 4.05Å; L144-A198 HydrophobicContact CG-CB 4.36Å; A198-N442 CarbonylContact C-O 3.49Å; A198-N442 VanDerWaalsContact CA-O 3.24Å; A198-N442 WeakPolarHBondContact CA-O 3.46Å
199K91.9Very high89.6Confident44 Ų4427.8 Ų27.819%0.19117%0.166CC..EExtended strand (participates in β ladder)trans-149.2148.4-179-72.8-63.2-176.2168.50113M154 D155 M190 V197 N442 L444M154-K199 PolarHBondContact O-NZ 3.31Å; D155-K199 WeakPolarHBondContact O-CA 3.47Å; D155-K199 WeakPolarHBondContact O-CD 3.49Å; M190-K199 HydrophobicContact CG-CB 3.49Å; M190-K199 VanDerWaalsContact CG-CB 3.49Å; M190-K199 HydrophobicContact CG-CG 4.09Å; M190-K199 HydrophobicContact SD-CB 3.59Å; M190-K199 VanDerWaalsContact SD-CB 3.59Å; V197-K199 HydrophobicContact CG1-CG 4.23Å; K199-N442 PolarHBondContact N-O 3.35Å; K199-L444 PolarHBondContact O-N 3.01Å
200I94.9Very high89.9Confident0 Ų028.8 Ų28.80%018%0.178CC..EExtended strand (participates in β ladder)trans-116138.7173.8-56.3171.6000109.4L144 A147 D155 F156 C157 L202 L444 F475L144-I200 HydrophobicContact CD2-CD1 4.44Å; L144-I200 HydrophobicContact CD2-CG1 3.83Å; A147-I200 HydrophobicContact CB-CD1 3.98Å; D155-I200 PolarHBondContact O-N 2.92Å; F156-I200 VanDerWaalsContact CA-O 3.31Å; F156-I200 WeakPolarHBondContact CA-O 3.41Å; F156-I200 HydrophobicContact CD1-CB 3.83Å; F156-I200 HydrophobicContact CD1-CG2 3.86Å; F156-I200 HydrophobicContact CE1-CB 3.87Å; F156-I200 HydrophobicContact CE1-CD1 4.15Å; F156-I200 HydrophobicContact CE1-CG2 3.69Å; F156-I200 HydrophobicContact CZ-CD1 4.37Å; C157-I200 PolarHBondContact N-O 2.95Å; C157-I200 PolarHBondContact SG-O 3.28Å; I200-L202 HydrophobicContact CG2-CD2 3.97Å; I200-L202 HydrophobicContact CG2-CG 4.43Å; I200-L444 CarbonylContact C-O 3.58Å; I200-L444 WeakPolarHBondContact CA-O 3.3Å; I200-F475 HydrophobicContact CD1-CE2 3.74Å; I200-F475 HydrophobicContact CD1-CZ 3.83Å; I200-F475 HydrophobicContact CG2-CE2 4.36Å
201C95.5Very high90.2Very high0 Ų029.1 Ų29.10%018%0.179CC..EExtended strand (participates in β ladder)trans-120.4126.5172.7-178.40000109.2M190 L444 I445 L446 L494M190-C201 HydrophobicContact CE-CB 4.09Å; M190-C201 HydrophobicContact SD-CB 3.72Å; C201-L444 PolarHBondContact N-O 3.22Å; C201-I445 HydrophobicContact CB-CB 4.46Å; C201-I445 HydrophobicContact CB-CG1 4.14Å; C201-I445 HydrophobicContact CB-CG2 4.22Å; C201-I445 WeakPolarHBondContact O-CA 3.4Å; C201-L446 PolarHBondContact O-N 3.13Å; C201-L494 VanDerWaalsContact SG-CD1 3.58Å
202L96.9Very high90.5Very high1 Ų129.4 Ų29.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-109.6119.3179.2-58.8178.8000109.4F156 I200 L446 F475 L479 I493 L494F156-L202 HydrophobicContact CD1-CD1 3.78Å; F156-L202 HydrophobicContact CD1-CG 3.92Å; F156-L202 HydrophobicContact CE1-CD1 3.78Å; F156-L202 HydrophobicContact CE1-CD2 4.39Å; F156-L202 HydrophobicContact CE1-CG 4.1Å; I200-L202 HydrophobicContact CG2-CD2 3.97Å; I200-L202 HydrophobicContact CG2-CG 4.43Å; L202-L446 HydrophobicContact CD2-CB 3.97Å; L202-L446 HydrophobicContact CD2-CD1 4Å; L202-L446 HydrophobicContact CD2-CG 4.32Å; L202-F475 HydrophobicContact CD1-CB 3.94Å; L202-F475 HydrophobicContact CD2-CD2 4.19Å; L202-L479 HydrophobicContact CD1-CD1 3.55Å; L202-I493 HydrophobicContact CB-CG1 4.46Å; L202-I493 HydrophobicContact CB-CG2 4.35Å; L202-I493 HydrophobicContact CD1-CG1 4.08Å; L202-L494 WeakPolarHBondContact O-CB 3.5Å; L202-L494 PolarHBondContact O-N 3.06Å
203I97.4Very high91Very high2 Ų229.6 Ų29.61%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-114.7102.7175.4-57174.6000108.2A183 G205 I445 L446 V447 G448 M472 L494 L496A183-I203 HydrophobicContact CB-CD1 4.17Å; A183-I203 HydrophobicContact CB-CG1 4.38Å; A183-I203 HydrophobicContact CB-CG2 4.33Å; I203-G205 PolarHBondContact O-N 2.92Å; I203-I445 HydrophobicContact CD1-CG2 4.1Å; I203-L446 PolarHBondContact N-O 3.17Å; I203-V447 HydrophobicContact CB-CB 4.48Å; I203-V447 HydrophobicContact CB-CG1 4.16Å; I203-V447 HydrophobicContact CB-CG2 4.16Å; I203-V447 HydrophobicContact CD1-CG2 4.09Å; I203-V447 HydrophobicContact CG1-CG2 4.47Å; I203-V447 HydrophobicContact CG2-CG1 4.2Å; I203-G448 PolarHBondContact O-N 3.26Å; I203-M472 WeakPolarHBondContact O-CE 3.3Å; I203-L494 WeakPolarHBondContact CA-O 3.42Å; I203-L494 HydrophobicContact CG1-CB 4.32Å; I203-L494 HydrophobicContact CG1-CD1 4.39Å; I203-L496 HydrophobicContact CG2-CD1 4.14Å; I203-L496 HydrophobicContact CG2-CD2 4.33Å; I203-L496 HydrophobicContact CG2-CG 4.11Å
204H96.7Very high91.9Very high13 Ų1325.5 Ų25.56%0.0616%0.163CC..EExtended strand (participates in β ladder)trans-86.2110.6177.9179.8-160.8000109.8P206 D449 M472 I493 L494 Q495 L496 Y515H204-P206 WeakPolarHBondContact O-CD 3.44Å; H204-D449 IonicContact CD2-OD1 3.91Å; H204-D449 IonicContact CE1-OD1 2.86Å; H204-D449 IonicContact NE2-OD1 3.85Å; H204-D449 PolarHBondContact NE2-OD1 2.87Å; H204-M472 HydrophobicContact CB-CE 4.43Å; H204-I493 HydrophobicContact CB-CG2 3.78Å; H204-L494 PolarHBondContact N-O 2.88Å; H204-Q495 WeakPolarHBondContact O-CA 3.48Å; H204-L496 PolarHBondContact O-N 3.46Å; H204-Y515 AromaticContact NE2-CE1 3.93Å
205G96.6Very high92.9Very high0 Ų023.1 Ų23.10%015%0.146CC..  trans-119.895.2178.300000113.5I203 T209 K211 G448I203-G205 PolarHBondContact O-N 2.92Å; G205-T209 VanDerWaalsContact CA-OG1 3.22Å; G205-T209 WeakPolarHBondContact CA-OG1 3.36Å; G205-K211 WeakPolarHBondContact O-CD 3.47Å; G205-G448 PolarHBondContact N-O 3.34Å
206P96.3Very high94.1Very high1 Ų118.3 Ų18.31%0.00612%0.115CC..  trans-49.5165.9167.4-28.434.5000114.4H204 G208 T209 L496 Y515 L519H204-P206 WeakPolarHBondContact O-CD 3.44Å; P206-G208 PolarHBondContact O-N 3.13Å; P206-T209 HydrophobicContact CB-CG2 3.9Å; P206-T209 HydrophobicContact CG-CG2 4.34Å; P206-T209 WeakPolarHBondContact O-CB 3.46Å; P206-T209 VanDerWaalsContact O-CG2 3.26Å; P206-T209 WeakPolarHBondContact O-CG2 3.19Å; P206-T209 PolarHBondContact O-N 3.38Å; P206-T209 VanDerWaalsContact O-N 3.14Å; P206-T209 PolarHBondContact O-OG1 2.85Å; P206-L496 WeakPolarHBondContact CD-O 3.25Å; P206-Y515 HydrophobicContact CB-CD1 4.05Å; P206-Y515 HydrophobicContact CB-CD2 4.41Å; P206-Y515 HydrophobicContact CB-CE1 3.71Å; P206-Y515 HydrophobicContact CB-CE2 4.13Å; P206-Y515 HydrophobicContact CB-CG 4.38Å; P206-Y515 HydrophobicContact CG-CD1 3.63Å; P206-Y515 HydrophobicContact CG-CE1 3.61Å; P206-Y515 HydrophobicContact CG-CG 4.21Å; P206-L519 HydrophobicContact CB-CD1 3.77Å; P206-L519 HydrophobicContact CB-CD2 4.21Å; P206-L519 HydrophobicContact CG-CD1 4.25Å
207P95Very high95.2Very high5 Ų514.5 Ų14.53%0.0329%0.089CC..THydrogen-bonded Turntrans-51.2125.9-177.9-3238.7000114T209 D449 Y515 T655P207-T209 VanDerWaalsContact C-N 3.33Å; P207-T209 PolarHBondContact O-N 2.98Å; P207-D449 WeakPolarHBondContact CD-OD2 3.33Å; P207-Y515 WeakPolarHBondContact CD-OH 3.18Å; P207-T655 HydrophobicContact CB-CG2 4.08Å; P207-T655 HydrophobicContact CG-CG2 3.85Å; P207-T655 WeakPolarHBondContact CG-OG1 3.47Å
208G94.7Very high95.8Very high23 Ų2312.3 Ų12.324%0.2378%0.075CC..THydrogen-bonded Turntrans792.8177.300000116.1P206 G210 Y500P206-G208 PolarHBondContact O-N 3.13Å; G208-G210 VanDerWaalsContact C-N 3.3Å; G208-G210 PolarHBondContact O-N 2.95Å; G208-Y500 PolarHBondContact O-N 2.68Å
209T97.1Very high96.1Very high1 Ų111.3 Ų11.31%0.0067%0.067CC..SBendtrans-78.8-2.9-177.258.50000115.8Q180 G205 P206 P207 L496 V498 Q499 L519Q180-T209 PolarHBondContact NE2-O 2.66Å; G205-T209 VanDerWaalsContact CA-OG1 3.22Å; G205-T209 WeakPolarHBondContact CA-OG1 3.36Å; P206-T209 HydrophobicContact CB-CG2 3.9Å; P206-T209 HydrophobicContact CG-CG2 4.34Å; P206-T209 WeakPolarHBondContact O-CB 3.46Å; P206-T209 VanDerWaalsContact O-CG2 3.26Å; P206-T209 WeakPolarHBondContact O-CG2 3.19Å; P206-T209 PolarHBondContact O-N 3.38Å; P206-T209 VanDerWaalsContact O-N 3.14Å; P206-T209 PolarHBondContact O-OG1 2.85Å; P207-T209 VanDerWaalsContact C-N 3.33Å; P207-T209 PolarHBondContact O-N 2.98Å; T209-L496 HydrophobicContact CG2-CB 4.37Å; T209-L496 WeakPolarHBondContact CG2-O 3.37Å; T209-V498 WeakPolarHBondContact CA-O 3.17Å; T209-Q499 HydrophobicContact CG2-CB 4.12Å; T209-L519 HydrophobicContact CG2-CD1 3.65Å
210G95.7Very high96.2Very high25 Ų259.7 Ų9.726%0.2586%0.059SC..  trans87.727.3172.900000116G208 S212 K213 T214G208-G210 VanDerWaalsContact C-N 3.3Å; G208-G210 PolarHBondContact O-N 2.95Å; G210-S212 PolarHBondContact O-N 2.85Å; G210-K213 WeakPolarHBondContact O-CA 3.22Å; G210-K213 WeakPolarHBondContact O-CB 3.37Å; G210-K213 PolarHBondContact O-N 3.26Å; G210-T214 PolarHBondContact O-N 2.56Å; G210-T214 PolarHBondContact O-OG1 3.26Å
211K96.4Very high96.1Very high15 Ų159.7 Ų9.77%0.0656%0.059CC..Hα-helixtrans-35.2-63.4173.3-69.8-160.7-51.7-108.30114.1G205 K213 T214 I215 E424 V447G205-K211 WeakPolarHBondContact O-CD 3.47Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.48Å; K211-T214 WeakPolarHBondContact O-CA 3.47Å; K211-T214 VanDerWaalsContact O-CB 3.23Å; K211-T214 WeakPolarHBondContact O-CB 3.49Å; K211-T214 PolarHBondContact O-N 2.68Å; K211-I215 PolarHBondContact O-N 3.29Å; K211-E424 WeakPolarHBondContact CE-OE1 3.27Å; K211-E424 VanDerWaalsContact CE-OE2 3.25Å; K211-E424 WeakPolarHBondContact CE-OE2 3.29Å; K211-E424 IonicContact NZ-OE1 2.7Å; K211-E424 PolarHBondContact NZ-OE1 2.89Å; K211-E424 IonicContact NZ-OE2 2.68Å; K211-E424 PolarHBondContact NZ-OE2 3.04Å; K211-V447 HydrophobicContact CB-CG1 3.91Å; K211-V447 HydrophobicContact CD-CG1 4.04Å; K211-V447 HydrophobicContact CG-CG1 4.1Å
212S95.8Very high95.8Very high19 Ų199.8 Ų9.813%0.1336%0.06CC..Hα-helixtrans-63.5-29-178.9-44.60000113.8G210 I215 V216 D423G210-S212 PolarHBondContact O-N 2.85Å; S212-I215 PolarHBondContact O-N 2.91Å; S212-V216 VanDerWaalsContact O-CG2 3.29Å; S212-V216 WeakPolarHBondContact O-CG2 3.32Å; S212-V216 PolarHBondContact O-N 2.68Å; S212-D423 PolarHBondContact OG-OD2 3.14Å
213K96.3Very high95.5Very high79 Ų7910.5 Ų10.534%0.3436%0.064SC..Hα-helixtrans-67.4-41.9172.3-177.5178.9178.8177.80110.3D175 F176 G210 K211 I215 V216 G217D175-K213 PolarHBondContact O-NZ 3.36Å; F176-K213 HydrophobicContact CD1-CD 4.47Å; F176-K213 HydrophobicContact CD1-CG 4.34Å; F176-K213 HydrophobicContact CE1-CD 4.21Å; F176-K213 HydrophobicContact CE1-CG 3.72Å; F176-K213 HydrophobicContact CZ-CG 4.27Å; G210-K213 WeakPolarHBondContact O-CA 3.22Å; G210-K213 WeakPolarHBondContact O-CB 3.37Å; G210-K213 PolarHBondContact O-N 3.26Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.48Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 2.99Å; K213-V216 PolarHBondContact O-N 2.91Å; K213-G217 PolarHBondContact O-N 2.8Å
214T98Very high94.8Very high1 Ų111.4 Ų11.41%0.0067%0.069CC..Hα-helixtrans-59.4-43.2175.2-42.20000111.2Q180 A183 I184 G210 K211 G217 L218Q180-T214 HydrophobicContact CB-CG2 4.46Å; A183-T214 HydrophobicContact CB-CG2 3.77Å; I184-T214 HydrophobicContact CD1-CG2 4.4Å; I184-T214 HydrophobicContact CG1-CG2 3.96Å; G210-T214 PolarHBondContact O-N 2.56Å; G210-T214 PolarHBondContact O-OG1 3.26Å; K211-T214 WeakPolarHBondContact O-CA 3.47Å; K211-T214 VanDerWaalsContact O-CB 3.23Å; K211-T214 WeakPolarHBondContact O-CB 3.49Å; K211-T214 PolarHBondContact O-N 2.68Å; T214-G217 PolarHBondContact O-N 3.46Å; T214-L218 WeakPolarHBondContact O-CB 3.34Å; T214-L218 PolarHBondContact O-N 3.26Å
215I98.3Very high93.6Very high2 Ų212 Ų121%0.017%0.072CC..Hα-helixtrans-61.8-45.5173.9-63.3172.7000111.4K211 S212 K213 G217 L218 L219 L258 I421 D423 V447K211-I215 PolarHBondContact O-N 3.29Å; S212-I215 PolarHBondContact O-N 2.91Å; K213-I215 VanDerWaalsContact C-N 3.33Å; K213-I215 PolarHBondContact O-N 2.99Å; I215-G217 PolarHBondContact O-N 3.01Å; I215-L218 PolarHBondContact O-N 2.91Å; I215-L219 HydrophobicContact CG2-CD1 3.82Å; I215-L219 HydrophobicContact CG2-CG 4.33Å; I215-L219 WeakPolarHBondContact O-CB 3.29Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.16Å; I215-L258 HydrophobicContact CB-CD1 4.22Å; I215-L258 HydrophobicContact CD1-CD2 4.35Å; I215-L258 HydrophobicContact CG2-CD1 4.05Å; I215-L258 HydrophobicContact CG2-CD2 4.26Å; I215-I421 HydrophobicContact CD1-CG2 4.13Å; I215-I421 HydrophobicContact CG1-CG2 4.21Å; I215-I421 HydrophobicContact CG2-CD1 4.31Å; I215-I421 HydrophobicContact CG2-CG2 4.08Å; I215-D423 HydrophobicContact CD1-CB 3.54Å; I215-V447 HydrophobicContact CD1-CB 3.93Å; I215-V447 HydrophobicContact CD1-CG1 3.94Å; I215-V447 HydrophobicContact CD1-CG2 3.99Å; I215-V447 HydrophobicContact CG1-CB 4.34Å; I215-V447 HydrophobicContact CG1-CG1 4.14Å; I215-V447 HydrophobicContact CG1-CG2 3.98Å
216V97.6Very high91.9Very high2 Ų214.2 Ų14.21%0.0128%0.084CC..Hα-helixtrans-61-43.8177.3167.90000111.6S212 K213 L218 L219 Y220 L258 K261 I262 E265S212-V216 VanDerWaalsContact O-CG2 3.29Å; S212-V216 WeakPolarHBondContact O-CG2 3.32Å; S212-V216 PolarHBondContact O-N 2.68Å; K213-V216 PolarHBondContact O-N 2.91Å; V216-L218 PolarHBondContact O-N 2.85Å; V216-L219 PolarHBondContact O-N 2.85Å; V216-Y220 WeakPolarHBondContact O-CB 3.36Å; V216-Y220 PolarHBondContact O-N 3.16Å; V216-L258 HydrophobicContact CG2-CD1 4.26Å; V216-K261 HydrophobicContact CG2-CB 3.83Å; V216-I262 HydrophobicContact CG2-CG1 3.78Å; V216-E265 HydrophobicContact CG1-CB 3.59Å; V216-E265 HydrophobicContact CG1-CG 3.54Å
217G96.3Very high89.9Confident0 Ų018.8 Ų18.80%011%0.105CC..Hα-helixtrans-63.6-39.5176.400000113.4K213 T214 I215 Y220 R221K213-G217 PolarHBondContact O-N 2.8Å; T214-G217 PolarHBondContact O-N 3.46Å; I215-G217 PolarHBondContact O-N 3.01Å; G217-Y220 PolarHBondContact O-N 3.01Å; G217-R221 PolarHBondContact O-N 2.73Å; G217-R221 VanDerWaalsContact O-N 3.08Å
218L95.9Very high87.3Confident4 Ų427.9 Ų27.92%0.02114%0.139CC..Hα-helixtrans-63-46.2172.8175.961.7000111.8I184 A187 T214 I215 V216 R221 L222 I421 I445I184-L218 HydrophobicContact CG1-CB 4.28Å; A187-L218 HydrophobicContact CB-CD1 3.87Å; A187-L218 HydrophobicContact CB-CD2 3.69Å; A187-L218 HydrophobicContact CB-CG 4.43Å; T214-L218 WeakPolarHBondContact O-CB 3.34Å; T214-L218 PolarHBondContact O-N 3.26Å; I215-L218 PolarHBondContact O-N 2.91Å; V216-L218 PolarHBondContact O-N 2.85Å; L218-R221 PolarHBondContact O-N 2.89Å; L218-L222 HydrophobicContact CD1-CD1 3.88Å; L218-L222 HydrophobicContact CD1-CG 4.01Å; L218-L222 HydrophobicContact CG-CD1 3.82Å; L218-L222 HydrophobicContact CG-CG 4.38Å; L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 2.98Å; L218-L222 VanDerWaalsContact O-CG 3.29Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 2.95Å; L218-I421 HydrophobicContact CD2-CD1 4.13Å; L218-I445 HydrophobicContact CD2-CD1 3.69Å
219L95.7Very high84.7Confident0 Ų036.3 Ų36.30%017%0.169CC..Hα-helixtrans-61.9-43.7176.6-72.1167000111.7I215 V216 R221 L222 L223 V245 V247 I262 F266 I392 I421I215-L219 HydrophobicContact CG2-CD1 3.82Å; I215-L219 HydrophobicContact CG2-CG 4.33Å; I215-L219 WeakPolarHBondContact O-CB 3.29Å; I215-L219 VanDerWaalsContact O-CG 3.3Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.16Å; V216-L219 PolarHBondContact O-N 2.85Å; L219-R221 PolarHBondContact O-N 2.93Å; L219-L222 PolarHBondContact O-N 2.87Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.25Å; L219-L223 VanDerWaalsContact O-N 3.12Å; L219-V245 HydrophobicContact CD2-CB 4.03Å; L219-V245 HydrophobicContact CD2-CG1 3.77Å; L219-V245 HydrophobicContact CD2-CG2 4.21Å; L219-V247 HydrophobicContact CD1-CG2 4.26Å; L219-V247 HydrophobicContact CD2-CG2 4.15Å; L219-I262 HydrophobicContact CD1-CD1 3.67Å; L219-I262 HydrophobicContact CD1-CG1 4Å; L219-F266 HydrophobicContact CB-CE2 4.32Å; L219-F266 HydrophobicContact CB-CZ 4.43Å; L219-I392 HydrophobicContact CB-CD1 4.38Å; L219-I392 HydrophobicContact CD1-CD1 4.29Å; L219-I392 HydrophobicContact CD2-CD1 4.11Å; L219-I392 HydrophobicContact CD2-CG1 4.43Å; L219-I421 HydrophobicContact CD2-CD1 4.02Å; L219-I421 HydrophobicContact CG-CD1 4.32Å
220Y93.8Very high81.7Confident10 Ų1039.8 Ų39.84%0.03921%0.205CC..Hα-helixtrans-59.1-47.8177.8179.8-93.7000111.6R168 I169 Y172 V216 G217 T224 F266 K269R168-Y220 PolarHBondContact NH2-OH 3.35Å; I169-Y220 HydrophobicContact CD1-CD1 4.1Å; I169-Y220 HydrophobicContact CD1-CE1 3.86Å; Y172-Y220 AromaticContact CD1-CD1 3.79Å; Y172-Y220 HydrophobicContact CD1-CD1 3.79Å; Y172-Y220 HydrophobicContact CD1-CE1 4.13Å; Y172-Y220 AromaticContact CD2-CD1 3.48Å; Y172-Y220 HydrophobicContact CD2-CD1 3.48Å; Y172-Y220 VanDerWaalsContact CD2-CD1 3.48Å; Y172-Y220 AromaticContact CD2-CE1 3.23Å; Y172-Y220 HydrophobicContact CD2-CE1 3.23Å; Y172-Y220 HydrophobicContact CD2-CE2 4.48Å; Y172-Y220 HydrophobicContact CD2-CG 4.21Å; Y172-Y220 AromaticContact CD2-CZ 3.78Å; Y172-Y220 AromaticContact CE1-CD1 3.66Å; Y172-Y220 HydrophobicContact CE1-CD1 3.66Å; Y172-Y220 HydrophobicContact CE1-CE1 4.38Å; Y172-Y220 HydrophobicContact CE1-CG 4.19Å; Y172-Y220 AromaticContact CE2-CD1 3.32Å; Y172-Y220 HydrophobicContact CE2-CD1 3.32Å; Y172-Y220 HydrophobicContact CE2-CD2 4.04Å; Y172-Y220 AromaticContact CE2-CE1 3.51Å; Y172-Y220 HydrophobicContact CE2-CE1 3.51Å; Y172-Y220 HydrophobicContact CE2-CE2 4.2Å; Y172-Y220 AromaticContact CE2-CG 3.59Å; Y172-Y220 HydrophobicContact CE2-CG 3.59Å; Y172-Y220 AromaticContact CE2-CZ 3.95Å; Y172-Y220 AromaticContact CG-CD1 3.73Å; Y172-Y220 HydrophobicContact CG-CD1 3.73Å; Y172-Y220 AromaticContact CG-CE1 3.59Å; Y172-Y220 HydrophobicContact CG-CE1 3.59Å; Y172-Y220 AromaticContact CZ-CD1 3.46Å; Y172-Y220 VanDerWaalsContact CZ-CD1 3.46Å; Y172-Y220 AromaticContact CZ-CG 3.63Å; V216-Y220 WeakPolarHBondContact O-CB 3.36Å; V216-Y220 PolarHBondContact O-N 3.16Å; G217-Y220 PolarHBondContact O-N 3.01Å; Y220-T224 WeakPolarHBondContact O-CB 3.22Å; Y220-T224 PolarHBondContact O-N 3.34Å; Y220-T224 PolarHBondContact O-OG1 3.23Å; Y220-F266 VanDerWaalsContact CA-CZ 3.48Å; Y220-F266 HydrophobicContact CD2-CD1 4.48Å; Y220-F266 HydrophobicContact CD2-CE1 4.23Å; Y220-F266 HydrophobicContact CD2-CZ 4.41Å; Y220-K269 HydrophobicContact CE2-CB 4.01Å; Y220-K269 HydrophobicContact CE2-CD 4.48Å
221R91.4Very high78.6Confident0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-65-48.8175.9-175.4179.7-175.5171.2-7.1112.4T163 T165 I169 E185 Y188 G217 L218 L219 L223 T224 E225T163-R221 PolarHBondContact OG1-NH2 3.27Å; T165-R221 PolarHBondContact OG1-NH2 3.01Å; I169-R221 HydrophobicContact CD1-CB 4.27Å; I169-R221 HydrophobicContact CD1-CG 4.19Å; I169-R221 HydrophobicContact CG1-CG 4.3Å; I169-R221 HydrophobicContact CG2-CB 4.5Å; I169-R221 HydrophobicContact CG2-CG 3.92Å; E185-R221 IonicContact OE1-CZ 3.55Å; E185-R221 IonicContact OE1-NH1 3.14Å; E185-R221 PolarHBondContact OE1-NH1 3.47Å; E185-R221 IonicContact OE1-NH2 2.78Å; E185-R221 PolarHBondContact OE1-NH2 3.39Å; E185-R221 IonicContact OE2-CZ 2.71Å; E185-R221 IonicContact OE2-NH1 2.72Å; E185-R221 PolarHBondContact OE2-NH1 2.84Å; E185-R221 IonicContact OE2-NH2 3.58Å; E185-R221 PolarHBondContact OE2-NH2 2.87Å; Y188-R221 VanDerWaalsContact CD1-CZ 3.46Å; Y188-R221 VanDerWaalsContact CD1-NE 3.31Å; Y188-R221 HydrophobicContact CD2-CG 3.8Å; Y188-R221 HydrophobicContact CE2-CG 3.89Å; Y188-R221 HydrophobicContact CG-CG 4.23Å; G217-R221 PolarHBondContact O-N 2.73Å; G217-R221 VanDerWaalsContact O-N 3.08Å; L218-R221 PolarHBondContact O-N 2.89Å; L219-R221 PolarHBondContact O-N 2.93Å; R221-L223 PolarHBondContact O-N 3.42Å; R221-L223 VanDerWaalsContact O-N 3.1Å; R221-T224 PolarHBondContact O-N 3.5Å; R221-E225 HydrophobicContact CG-CB 4.43Å; R221-E225 IonicContact CZ-OE2 3.52Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.23Å; R221-E225 IonicContact NH2-OE2 3.54Å; R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 PolarHBondContact O-N 3.13Å
222L91Very high75.7Confident3 Ų350.7 Ų50.72%0.01626%0.262CS..Hα-helixtrans-54.9-30.8-179.1-83.4172.5000113Y188 V191 L218 L219 N226 V245Y188-L222 HydrophobicContact CD2-CD2 3.67Å; Y188-L222 HydrophobicContact CD2-CG 4.1Å; Y188-L222 HydrophobicContact CE2-CD2 4.14Å; V191-L222 HydrophobicContact CB-CD2 4Å; V191-L222 HydrophobicContact CG1-CD2 3.71Å; L218-L222 HydrophobicContact CD1-CD1 3.88Å; L218-L222 HydrophobicContact CD1-CG 4.01Å; L218-L222 HydrophobicContact CG-CD1 3.82Å; L218-L222 HydrophobicContact CG-CG 4.38Å; L218-L222 VanDerWaalsContact O-CB 3.27Å; L218-L222 WeakPolarHBondContact O-CB 2.98Å; L218-L222 VanDerWaalsContact O-CG 3.29Å; L218-L222 WeakPolarHBondContact O-CG 3.24Å; L218-L222 PolarHBondContact O-N 2.95Å; L219-L222 PolarHBondContact O-N 2.87Å; L222-N226 PolarHBondContact O-ND2 2.75Å; L222-V245 HydrophobicContact CD1-CG2 4.34Å
223L89.3Confident72.6Confident16 Ų1656 Ų568%0.08429%0.289CS..Hα-helixtrans-98.2-28.8179.8-62.1178.7000113.7L219 R221 N243 F266 I283 H391 I392L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.25Å; L219-L223 VanDerWaalsContact O-N 3.12Å; R221-L223 PolarHBondContact O-N 3.42Å; R221-L223 VanDerWaalsContact O-N 3.1Å; L223-N243 WeakPolarHBondContact CD2-O 3.47Å; L223-F266 HydrophobicContact CB-CE1 4.41Å; L223-F266 HydrophobicContact CD1-CE1 4.2Å; L223-F266 HydrophobicContact CD1-CZ 4.02Å; L223-I283 HydrophobicContact CB-CG2 4.41Å; L223-I283 HydrophobicContact CD1-CD1 4.27Å; L223-I283 HydrophobicContact CD1-CG2 3.87Å; L223-H391 HydrophobicContact CD1-CB 4.04Å; L223-H391 HydrophobicContact CD2-CB 4.22Å; L223-I392 HydrophobicContact CD1-CD1 3.78Å; L223-I392 HydrophobicContact CD1-CG1 3.69Å
224T82.9Confident70Confident21 Ų2160.7 Ų60.713%0.12931%0.312CS..Hα-helixtrans-79.5-43-178.8-590000112.8I169 Y220 R221 N226 Q227I169-T224 HydrophobicContact CD1-CG2 4.29Å; Y220-T224 WeakPolarHBondContact O-CB 3.22Å; Y220-T224 PolarHBondContact O-N 3.34Å; Y220-T224 PolarHBondContact O-OG1 3.23Å; R221-T224 PolarHBondContact O-N 3.5Å; T224-N226 VanDerWaalsContact C-N 3.3Å; T224-N226 PolarHBondContact O-N 3.29Å; T224-Q227 PolarHBondContact O-N 3.16Å
225E72.8Confident66.9Low25 Ų2566.3 Ų66.312%0.11734%0.342CS..G310 helixtrans-73.8-21-167.8-160.1140.3-115.500113S166 I169 Y188 R221 Q227S166-E225 WeakPolarHBondContact CB-OE1 3.49Å; S166-E225 PolarHBondContact N-OE1 2.87Å; S166-E225 PolarHBondContact OG-OE1 3.42Å; I169-E225 WeakPolarHBondContact CG1-OE1 3.11Å; Y188-E225 WeakPolarHBondContact OH-CG 3.3Å; Y188-E225 PolarHBondContact OH-OE2 3.1Å; R221-E225 HydrophobicContact CG-CB 4.43Å; R221-E225 IonicContact CZ-OE2 3.52Å; R221-E225 IonicContact NE-OE2 2.67Å; R221-E225 PolarHBondContact NE-OE2 3.23Å; R221-E225 IonicContact NH2-OE2 3.54Å; R221-E225 WeakPolarHBondContact O-CB 3.45Å; R221-E225 PolarHBondContact O-N 3.13Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.38Å
226N60.4Low64Low46 Ų4671.4 Ų71.425%0.24638%0.378CS..G310 helixtrans-74.1-18.1176.9-57-39.8000114.2K192 L222 T224 R228 N243K192-N226 PolarHBondContact NZ-ND2 2.74Å; K192-N226 PolarHBondContact NZ-OD1 3.08Å; L222-N226 PolarHBondContact O-ND2 2.75Å; T224-N226 VanDerWaalsContact C-N 3.3Å; T224-N226 PolarHBondContact O-N 3.29Å; N226-R228 PolarHBondContact O-N 3.48Å; N226-N243 PolarHBondContact ND2-OD1 2.79Å
227Q53Low61.1Low98 Ų9877.2 Ų77.246%0.45841%0.409SS..G310 helixtrans-71.59.4-173.8-62.4-171.3-3.600114.2T224 E225T224-Q227 PolarHBondContact O-N 3.16Å; E225-Q227 VanDerWaalsContact C-N 3.34Å; E225-Q227 PolarHBondContact O-N 3.38Å
228R41.7Very low58.6Low195 Ų19581 Ų8174%0.73644%0.44SS*.G310 helixtrans-113.7-10.9-175.5-78.6-173.8166.4-168.7-5.1115.8N226 G230N226-R228 PolarHBondContact O-N 3.48Å; R228-G230 VanDerWaalsContact C-N 3.35Å; R228-G230 PolarHBondContact O-N 3.49Å; R228-G230 VanDerWaalsContact O-N 3.13Å
229K38.7Very low56.2Low201 Ų20188.6 Ų88.687%0.87447%0.472SS*.  trans-85.381.8170.6-79.5-153.5171.7-164.70110.3H231K229-H231 PolarHBondContact O-N 2.86Å; K229-H231 VanDerWaalsContact O-N 3.08Å
230G34.9Very low54.1Low74 Ų7491.3 Ų91.376%0.76349%0.486SS*.  trans-68.895.1163.500000110.1R228R228-G230 VanDerWaalsContact C-N 3.35Å; R228-G230 PolarHBondContact O-N 3.49Å; R228-G230 VanDerWaalsContact O-N 3.13Å
231H31.6Very low52.4Low157 Ų15794.5 Ų94.573%0.72750%0.5SS*.  trans-108.3114.5143.5-100.8-98.5000106.2K229 D233K229-H231 PolarHBondContact O-N 2.86Å; K229-H231 VanDerWaalsContact O-N 3.08Å; H231-D233 IonicContact CG-OD2 3.13Å; H231-D233 IonicContact ND1-OD2 3.68Å; H231-D233 PolarHBondContact ND1-OD2 3.29Å; H231-D233 PolarHBondContact O-N 3.4Å
232S34.1Very low50.8Low112 Ų112102.8 Ų102.878%0.78354%0.539SS*.  trans-78.742.8175.652.40000111.4E234S232-E234 PolarHBondContact O-N 3.12Å
233D31.9Very low50.1Low130 Ų130104.6 Ų104.670%0.69555%0.549SS*.  trans-79.671.6166.5-66.5-44.6000107.4H231 N235H231-D233 IonicContact CG-OD2 3.13Å; H231-D233 IonicContact ND1-OD2 3.68Å; H231-D233 PolarHBondContact ND1-OD2 3.29Å; H231-D233 PolarHBondContact O-N 3.4Å; D233-N235 PolarHBondContact O-N 3.5Å
234E40.2Very low50.2Low178 Ų178103.9 Ų103.983%0.83255%0.545SS*.  trans-71.860178.1-69.8-15513200111.7S232 S236S232-E234 PolarHBondContact O-N 3.12Å; E234-S236 PolarHBondContact O-N 2.89Å
235N33.3Very low50.8Low119 Ų119103 Ų10364%0.63654%0.539SS*.  trans-7475.2164.9-147.2-31.2000108.3D233 N237 A238D233-N235 PolarHBondContact O-N 3.5Å; N235-N237 PolarHBondContact O-N 3.45Å; N235-A238 PolarHBondContact O-N 2.91Å
236S38.8Very low51.9Low109 Ų109101.8 Ų101.876%0.76253%0.534SS*.THydrogen-bonded Turntrans-56.2-8.3-172.1560000115.1E234 A238E234-S236 PolarHBondContact O-N 2.89Å; S236-A238 VanDerWaalsContact C-N 3.28Å; S236-A238 PolarHBondContact O-N 3.19Å
237N35.6Very low53.7Low124 Ų12499.7 Ų99.766%0.66352%0.523SS*.THydrogen-bonded Turntrans-72.1-13.4170.5-69.8-59.6000114.4N235 K239N235-N237 PolarHBondContact O-N 3.45Å; N237-K239 VanDerWaalsContact C-N 3.28Å; N237-K239 PolarHBondContact O-N 2.97Å
238A43.2Very low55.9Low79 Ų7995.1 Ų95.165%0.65350%0.501SS*.  trans-72.571.2178.300000113.3N235 S236 I240N235-A238 PolarHBondContact O-N 2.91Å; S236-A238 VanDerWaalsContact C-N 3.28Å; S236-A238 PolarHBondContact O-N 3.19Å; A238-I240 PolarHBondContact O-N 3.07Å
239K45.3Very low58.6Low163 Ų16385.8 Ų85.871%0.70947%0.466SS*.  trans-63.916.8178.8-70.4176.6177.4168.20115.6N237N237-K239 VanDerWaalsContact C-N 3.28Å; N237-K239 PolarHBondContact O-N 2.97Å
240I51.8Low61.3Low57 Ų5777.5 Ų77.529%0.29243%0.433SS..SBendtrans-129.8110.6-173.4-45.1-177.8000109.8A238 Q242 Q412A238-I240 PolarHBondContact O-N 3.07Å; I240-Q242 PolarHBondContact O-N 2.86Å; I240-Q412 HydrophobicContact CD1-CB 3.92Å; I240-Q412 HydrophobicContact CD1-CG 4.46Å
241K58.2Low64Low77 Ų7776.2 Ų76.234%0.33541%0.412SS..  trans-67116.7171.6-68.1-173.6173.3-1790110.4N243 E389 H391K241-N243 PolarHBondContact O-N 3.32Å; K241-N243 VanDerWaalsContact O-N 3.07Å; K241-E389 WeakPolarHBondContact CE-O 3.27Å; K241-E389 PolarHBondContact NZ-O 2.8Å; K241-H391 WeakPolarHBondContact CD-NE2 3.41Å; K241-H391 PolarHBondContact NZ-NE2 2.83Å
242Q59.3Low67Low174 Ų17471 Ų7181%0.81339%0.39SS*.THydrogen-bonded Turntrans-64.4-11.6-173.7-65.3-178.7-5.300115.7I240I240-Q242 PolarHBondContact O-N 2.86Å
243N75.3Confident69.7Low41 Ų4168.8 Ų68.822%0.21938%0.378CS..THydrogen-bonded Turntrans-128.351.8-174-66.7-85.6000112K192 L223 N226 K241K192-N243 PolarHBondContact NZ-OD1 3.34Å; L223-N243 WeakPolarHBondContact CD2-O 3.47Å; N226-N243 PolarHBondContact ND2-OD1 2.79Å; K241-N243 PolarHBondContact O-N 3.32Å; K241-N243 VanDerWaalsContact O-N 3.07Å
244R90.8Very high72.7Confident2 Ų263.6 Ų63.61%0.00835%0.353CS..  trans-88133.7173.4-168.7-174-59.8108.7-2.6111I387 L388 S390 H391 P416 F417 S418R244-I387 PolarHBondContact NE-O 2.86Å; R244-L388 PolarHBondContact NH2-O 3.15Å; R244-S390 PolarHBondContact NE-O 3.47Å; R244-S390 PolarHBondContact NE-OG 2.85Å; R244-H391 WeakPolarHBondContact CA-O 3.43Å; R244-P416 PolarHBondContact NH1-O 3.27Å; R244-F417 HydrophobicContact CB-CD1 4.37Å; R244-F417 HydrophobicContact CG-CD1 3.95Å; R244-F417 HydrophobicContact CG-CE1 4.04Å; R244-F417 CarbonylContact O-C 3.55Å; R244-F417 VanDerWaalsContact O-CA 3.3Å; R244-F417 WeakPolarHBondContact O-CA 3.49Å; R244-S418 PolarHBondContact O-N 3.23Å; R244-S418 PolarHBondContact O-OG 3.21Å
245V95.5Very high75.4Confident1 Ų155.3 Ų55.31%0.00632%0.315CS..EExtended strand (participates in β ladder)trans-110.4135.9177.4-176.50000110.9L219 L222 V247 H391 I393 I421L219-V245 HydrophobicContact CD2-CB 4.03Å; L219-V245 HydrophobicContact CD2-CG1 3.77Å; L219-V245 HydrophobicContact CD2-CG2 4.21Å; L222-V245 HydrophobicContact CD1-CG2 4.34Å; V245-V247 HydrophobicContact CG1-CG2 3.97Å; V245-H391 PolarHBondContact N-O 3.31Å; V245-I393 PolarHBondContact O-N 2.85Å; V245-I421 HydrophobicContact CG1-CD1 3.88Å; V245-I421 HydrophobicContact CG1-CG1 4.01Å
246L97.2Very high78.4Confident0 Ų049.9 Ų49.90%029%0.286CS..EExtended strand (participates in β ladder)trans-97.5125.2168.3-176.560.7000109.4I393 L405 F417 C419 V420 I421 P436L246-I393 HydrophobicContact CD1-CB 4.06Å; L246-I393 HydrophobicContact CD1-CG2 4.01Å; L246-L405 HydrophobicContact CD1-CD1 4.34Å; L246-F417 HydrophobicContact CB-CB 4.49Å; L246-F417 HydrophobicContact CB-CD1 3.67Å; L246-F417 HydrophobicContact CB-CD2 4.14Å; L246-F417 HydrophobicContact CB-CE1 3.76Å; L246-F417 HydrophobicContact CB-CE2 4.23Å; L246-F417 HydrophobicContact CB-CG 3.85Å; L246-F417 HydrophobicContact CB-CZ 4.03Å; L246-F417 HydrophobicContact CD1-CE1 4.25Å; L246-F417 HydrophobicContact CD1-CZ 4.04Å; L246-F417 HydrophobicContact CD2-CD2 4.2Å; L246-F417 HydrophobicContact CD2-CE2 3.89Å; L246-F417 HydrophobicContact CD2-CZ 4.15Å; L246-F417 HydrophobicContact CG-CE1 4.45Å; L246-F417 HydrophobicContact CG-CE2 4.47Å; L246-F417 HydrophobicContact CG-CZ 4.3Å; L246-C419 PolarHBondContact N-O 2.86Å; L246-C419 VanDerWaalsContact N-O 3.14Å; L246-V420 HydrophobicContact CB-CG2 4.35Å; L246-V420 HydrophobicContact CD2-CG2 4.27Å; L246-V420 WeakPolarHBondContact O-CA 3.34Å; L246-I421 PolarHBondContact O-N 3.01Å; L246-P436 HydrophobicContact CD2-CB 3.73Å
247V98.4Very high81Confident3 Ų348.9 Ų48.92%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-118.2117-179.1-178.90000109L219 V245 L258 I392 I393 C394 C395L219-V247 HydrophobicContact CD1-CG2 4.26Å; L219-V247 HydrophobicContact CD2-CG2 4.15Å; V245-V247 HydrophobicContact CG1-CG2 3.97Å; V247-L258 HydrophobicContact CG1-CD2 3.43Å; V247-L258 VanDerWaalsContact CG1-CD2 3.43Å; V247-L258 HydrophobicContact CG1-CG 4.47Å; V247-I392 HydrophobicContact CG2-CG2 3.81Å; V247-I393 PolarHBondContact N-O 2.84Å; V247-C394 WeakPolarHBondContact O-CA 3.3Å; V247-C395 PolarHBondContact O-N 3.12Å
248C98.3Very high83.9Confident1 Ų143.1 Ų43.11%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-117.7156.8-176.6-69.60000112.1C395 L397 I421 V422 D423C248-C395 VanDerWaalsContact CA-O 3.31Å; C248-C395 WeakPolarHBondContact CA-O 3.4Å; C248-L397 HydrophobicContact CB-CD2 3.63Å; C248-L397 HydrophobicContact CB-CG 4.11Å; C248-I421 PolarHBondContact N-O 3.12Å; C248-V422 HydrophobicContact CB-CG2 4.39Å; C248-V422 CarbonylContact O-C 3.48Å; C248-V422 WeakPolarHBondContact O-CA 3.48Å; C248-D423 PolarHBondContact O-N 2.89Å
249A97.4Very high86.5Confident0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-150.7162.3163.800000109.2A254 V255 C395 T396 L397A249-A254 HydrophobicContact CB-CB 3.71Å; A249-V255 HydrophobicContact CB-CG2 3.84Å; A249-C395 PolarHBondContact N-O 3.1Å; A249-T396 CarbonylContact O-C 3.58Å; A249-T396 VanDerWaalsContact O-CA 3.23Å; A249-T396 WeakPolarHBondContact O-CA 3.48Å; A249-L397 PolarHBondContact O-N 3.39Å
250P95.2Very high89Confident27 Ų2733.4 Ų33.418%0.17518%0.182CC..SBendtrans-66-38.2178.721.3-30.4000113.4L397 D423 Q427P250-L397 HydrophobicContact CB-CD1 4.44Å; P250-D423 WeakPolarHBondContact CD-O 3.15Å; P250-Q427 HydrophobicContact CG-CB 4.3Å
251S92.8Very high91.1Very high46 Ų4634.6 Ų34.632%0.32219%0.185SC..SBendtrans-112.7148.2-174.7720000113.6A253 A254 V255S251-A253 PolarHBondContact O-N 3.04Å; S251-A254 PolarHBondContact O-N 2.99Å; S251-A254 WeakPolarHBondContact OG-CB 3.17Å; S251-A254 PolarHBondContact OG-N 3.37Å; S251-V255 WeakPolarHBondContact O-CG2 3.32Å; S251-V255 PolarHBondContact O-N 3.34Å; S251-V255 VanDerWaalsContact O-N 3.17Å
252N93.8Very high92.9Very high47 Ų4731 Ų3125%0.25117%0.169SC..Hα-helixtrans-55.7-39.4174.8-81.8-52.6000112.2A254 V255 D256 R287 S293 T396N252-A254 PolarHBondContact O-N 3.17Å; N252-V255 PolarHBondContact O-N 2.91Å; N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 3.23Å; N252-R287 PolarHBondContact O-NH2 2.82Å; N252-R287 PolarHBondContact OD1-NH1 3.28Å; N252-R287 PolarHBondContact OD1-NH2 2.81Å; N252-S293 PolarHBondContact ND2-OG 2.67Å; N252-S293 VanDerWaalsContact ND2-OG 3.11Å; N252-T396 HydrophobicContact CB-CG2 4.46Å; N252-T396 WeakPolarHBondContact OD1-CG2 3.42Å
253A92Very high94.7Very high66 Ų6623.6 Ų23.655%0.54514%0.135SC..Hα-helixtrans-63.4-40.3178.700000112.5S251 D256 E257S251-A253 PolarHBondContact O-N 3.04Å; A253-D256 PolarHBondContact O-N 2.85Å; A253-E257 VanDerWaalsContact O-CB 3.31Å; A253-E257 WeakPolarHBondContact O-CB 3.27Å; A253-E257 WeakPolarHBondContact O-CG 3.23Å; A253-E257 PolarHBondContact O-N 3.2Å
254A93.4Very high95.6Very high21 Ų2126.8 Ų26.817%0.17415%0.151CC..Hα-helixtrans-65.9-40.9175.600000112A249 S251 N252 L258A249-A254 HydrophobicContact CB-CB 3.71Å; S251-A254 PolarHBondContact O-N 2.99Å; S251-A254 WeakPolarHBondContact OG-CB 3.17Å; S251-A254 PolarHBondContact OG-N 3.37Å; N252-A254 PolarHBondContact O-N 3.17Å; A254-L258 WeakPolarHBondContact O-CB 3.45Å; A254-L258 PolarHBondContact O-N 3.18Å
255V96.9Very high95.8Very high4 Ų427.8 Ų27.82%0.02416%0.156CC..Hα-helixtrans-59.9-49.9173.8-177.10000110.6A249 S251 N252 L258 M259 C394 C395 T396A249-V255 HydrophobicContact CB-CG2 3.84Å; S251-V255 WeakPolarHBondContact O-CG2 3.32Å; S251-V255 PolarHBondContact O-N 3.34Å; S251-V255 VanDerWaalsContact O-N 3.17Å; N252-V255 PolarHBondContact O-N 2.91Å; V255-L258 PolarHBondContact O-N 3.36Å; V255-M259 HydrophobicContact CG1-CG 4.41Å; V255-M259 HydrophobicContact CG1-SD 4.37Å; V255-M259 WeakPolarHBondContact O-CB 3.36Å; V255-M259 WeakPolarHBondContact O-CG 3.5Å; V255-M259 PolarHBondContact O-N 3.27Å; V255-C394 HydrophobicContact CG1-CB 3.85Å; V255-C395 WeakPolarHBondContact CG2-O 3.22Å; V255-T396 HydrophobicContact CG2-CG2 4.04Å
256D96.3Very high95.7Very high6 Ų628.1 Ų28.13%0.03216%0.157CC..Hα-helixtrans-69.8-39.6-173.9-66.7-7.1000112N252 A253 L258 M259 K260 R287 I294 N295 V298N252-D256 VanDerWaalsContact O-CG 3.27Å; N252-D256 PolarHBondContact O-N 3.23Å; A253-D256 PolarHBondContact O-N 2.85Å; D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 3.47Å; D256-M259 WeakPolarHBondContact O-CB 3.36Å; D256-M259 PolarHBondContact O-N 3.19Å; D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 3.14Å; D256-R287 IonicContact OD1-CZ 2.75Å; D256-R287 IonicContact OD1-NE 2.78Å; D256-R287 PolarHBondContact OD1-NE 2.89Å; D256-R287 IonicContact OD1-NH2 3.85Å; D256-R287 PolarHBondContact OD1-NH2 2.81Å; D256-R287 IonicContact OD2-NH2 3.73Å; D256-I294 WeakPolarHBondContact OD2-CA 2.96Å; D256-N295 HydrophobicContact CB-CB 4.05Å; D256-N295 PolarHBondContact OD2-N 3.35Å; D256-V298 HydrophobicContact CB-CG2 4.05Å
257E94.6Very high95.4Very high88 Ų8832.3 Ų32.341%0.41118%0.176SC..Hα-helixtrans-70.8-24.3175.2-74.4-64.3130.800113.2A253 K260 K261A253-E257 VanDerWaalsContact O-CB 3.31Å; A253-E257 WeakPolarHBondContact O-CB 3.27Å; A253-E257 WeakPolarHBondContact O-CG 3.23Å; A253-E257 PolarHBondContact O-N 3.2Å; E257-K260 WeakPolarHBondContact OE1-CD 3.4Å; E257-K260 VanDerWaalsContact OE1-CE 3.24Å; E257-K260 WeakPolarHBondContact OE1-CE 3.44Å; E257-K260 IonicContact OE1-NZ 3.91Å; E257-K260 PolarHBondContact OE1-NZ 3.29Å; E257-K261 WeakPolarHBondContact O-CD 3.41Å; E257-K261 WeakPolarHBondContact O-CE 3.44Å; E257-K261 WeakPolarHBondContact O-CG 3.46Å; E257-K261 PolarHBondContact O-NZ 3.45Å
258L96.8Very high95.1Very high3 Ų337.6 Ų37.62%0.01620%0.2CC..Hα-helixtrans-74.9-43.9166.8175.958.7000110.6I215 V216 V247 A254 V255 D256 K260 K261 I262 D423I215-L258 HydrophobicContact CB-CD1 4.22Å; I215-L258 HydrophobicContact CD1-CD2 4.35Å; I215-L258 HydrophobicContact CG2-CD1 4.05Å; I215-L258 HydrophobicContact CG2-CD2 4.26Å; V216-L258 HydrophobicContact CG2-CD1 4.26Å; V247-L258 HydrophobicContact CG1-CD2 3.43Å; V247-L258 VanDerWaalsContact CG1-CD2 3.43Å; V247-L258 HydrophobicContact CG1-CG 4.47Å; A254-L258 WeakPolarHBondContact O-CB 3.45Å; A254-L258 PolarHBondContact O-N 3.18Å; V255-L258 PolarHBondContact O-N 3.36Å; D256-L258 VanDerWaalsContact C-N 3.32Å; D256-L258 PolarHBondContact O-N 3.47Å; L258-K260 PolarHBondContact O-N 3.23Å; L258-K261 WeakPolarHBondContact O-CB 3.28Å; L258-K261 PolarHBondContact O-N 2.84Å; L258-K261 VanDerWaalsContact O-N 3.15Å; L258-I262 HydrophobicContact CD1-CD1 4.5Å; L258-I262 HydrophobicContact CG-CD1 4.16Å; L258-I262 PolarHBondContact O-N 2.81Å; L258-I262 VanDerWaalsContact O-N 3.12Å; L258-D423 HydrophobicContact CD2-CB 4.01Å
259M97.4Very high94.5Very high0 Ų040.2 Ų40.20%021%0.211CC..Hα-helixtrans-57.6-43.6176.8-78.4-169.377.600112.8V255 D256 K261 I262 I263 L285 R287 V298 F301 C394V255-M259 HydrophobicContact CG1-CG 4.41Å; V255-M259 HydrophobicContact CG1-SD 4.37Å; V255-M259 WeakPolarHBondContact O-CB 3.36Å; V255-M259 WeakPolarHBondContact O-CG 3.5Å; V255-M259 PolarHBondContact O-N 3.27Å; D256-M259 WeakPolarHBondContact O-CB 3.36Å; D256-M259 PolarHBondContact O-N 3.19Å; M259-K261 PolarHBondContact O-N 3.01Å; M259-I262 WeakPolarHBondContact O-CB 3.39Å; M259-I262 PolarHBondContact O-N 3.36Å; M259-I262 VanDerWaalsContact O-N 3.12Å; M259-I263 HydrophobicContact CB-CD1 4.24Å; M259-I263 WeakPolarHBondContact O-CB 3.48Å; M259-I263 WeakPolarHBondContact O-CD1 3.38Å; M259-I263 WeakPolarHBondContact O-CG1 3.11Å; M259-I263 PolarHBondContact O-N 2.76Å; M259-L285 HydrophobicContact CE-CD1 4.03Å; M259-L285 HydrophobicContact CE-CD2 3.62Å; M259-L285 HydrophobicContact CE-CG 3.65Å; M259-R287 HydrophobicContact CE-CB 3.86Å; M259-R287 HydrophobicContact SD-CB 3.69Å; M259-R287 HydrophobicContact SD-CG 3.96Å; M259-V298 HydrophobicContact CB-CG1 4.19Å; M259-F301 HydrophobicContact CE-CB 3.91Å; M259-F301 HydrophobicContact CE-CG 4.49Å; M259-C394 HydrophobicContact CE-CB 4.33Å; M259-C394 HydrophobicContact CG-CB 3.67Å; M259-C394 HydrophobicContact SD-CB 3.59Å; M259-C394 VanDerWaalsContact SD-CB 3.59Å
260K97Very high94Very high38 Ų3840.8 Ų40.817%0.16522%0.215CC..Hα-helixtrans-53.8-40.3176.8-72.2174.2-169.8-167.90112.6D256 E257 L258 I263 L264 N295 E297 V298D256-K260 WeakPolarHBondContact O-CG 3.49Å; D256-K260 PolarHBondContact O-N 3.14Å; E257-K260 WeakPolarHBondContact OE1-CD 3.4Å; E257-K260 VanDerWaalsContact OE1-CE 3.24Å; E257-K260 WeakPolarHBondContact OE1-CE 3.44Å; E257-K260 IonicContact OE1-NZ 3.91Å; E257-K260 PolarHBondContact OE1-NZ 3.29Å; L258-K260 PolarHBondContact O-N 3.23Å; K260-I263 PolarHBondContact O-N 2.73Å; K260-L264 WeakPolarHBondContact O-CB 3.36Å; K260-L264 PolarHBondContact O-N 2.68Å; K260-N295 PolarHBondContact NZ-ND2 3.32Å; K260-E297 WeakPolarHBondContact CD-OE2 3.48Å; K260-E297 VanDerWaalsContact CE-CD 3.42Å; K260-E297 WeakPolarHBondContact CE-OE2 3.26Å; K260-E297 IonicContact NZ-OE1 3.46Å; K260-E297 PolarHBondContact NZ-OE1 2.96Å; K260-E297 IonicContact NZ-OE2 3.57Å; K260-E297 PolarHBondContact NZ-OE2 3.19Å; K260-V298 HydrophobicContact CG-CG1 3.74Å
261K96.5Very high93.4Very high82 Ų8245.5 Ų45.536%0.35723%0.233SC..Hα-helixtrans-70.2-42.7178.5-57.6169.7-172.2110.60111.3V216 E257 L258 M259 I263 L264 E265V216-K261 HydrophobicContact CG2-CB 3.83Å; E257-K261 WeakPolarHBondContact O-CD 3.41Å; E257-K261 WeakPolarHBondContact O-CE 3.44Å; E257-K261 WeakPolarHBondContact O-CG 3.46Å; E257-K261 PolarHBondContact O-NZ 3.45Å; L258-K261 WeakPolarHBondContact O-CB 3.28Å; L258-K261 PolarHBondContact O-N 2.84Å; L258-K261 VanDerWaalsContact O-N 3.15Å; M259-K261 PolarHBondContact O-N 3.01Å; K261-I263 VanDerWaalsContact C-N 3.34Å; K261-I263 PolarHBondContact O-N 2.77Å; K261-L264 PolarHBondContact O-N 3.5Å; K261-E265 WeakPolarHBondContact O-CB 3.29Å; K261-E265 PolarHBondContact O-N 3.03Å
262I96.9Very high93Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-58.3-46.6171.9-62.1168.6000110.3V216 L219 L258 M259 L264 E265 F266 I283 L285 I392V216-I262 HydrophobicContact CG2-CG1 3.78Å; L219-I262 HydrophobicContact CD1-CD1 3.67Å; L219-I262 HydrophobicContact CD1-CG1 4Å; L258-I262 HydrophobicContact CD1-CD1 4.5Å; L258-I262 HydrophobicContact CG-CD1 4.16Å; L258-I262 PolarHBondContact O-N 2.81Å; L258-I262 VanDerWaalsContact O-N 3.12Å; M259-I262 WeakPolarHBondContact O-CB 3.39Å; M259-I262 PolarHBondContact O-N 3.36Å; M259-I262 VanDerWaalsContact O-N 3.12Å; I262-L264 PolarHBondContact O-N 3.06Å; I262-E265 PolarHBondContact O-N 2.9Å; I262-F266 HydrophobicContact CG2-CD2 3.8Å; I262-F266 HydrophobicContact CG2-CE2 4.08Å; I262-F266 WeakPolarHBondContact O-CB 3.37Å; I262-F266 WeakPolarHBondContact O-CD2 3.5Å; I262-F266 PolarHBondContact O-N 3.47Å; I262-I283 HydrophobicContact CG2-CD1 4.49Å; I262-L285 HydrophobicContact CG2-CD1 4.37Å; I262-L285 HydrophobicContact CG2-CD2 4.17Å; I262-I392 HydrophobicContact CG2-CD1 4.02Å
263I96.1Very high92.5Very high19 Ų1950.9 Ų50.910%0.09725%0.251CS..Hα-helixtrans-63.7-41.4-177.2-67.6157000111.7M259 K260 K261 K267 L285 V298 F301M259-I263 HydrophobicContact CB-CD1 4.24Å; M259-I263 WeakPolarHBondContact O-CB 3.48Å; M259-I263 WeakPolarHBondContact O-CD1 3.38Å; M259-I263 WeakPolarHBondContact O-CG1 3.11Å; M259-I263 PolarHBondContact O-N 2.76Å; K260-I263 PolarHBondContact O-N 2.73Å; K261-I263 VanDerWaalsContact C-N 3.34Å; K261-I263 PolarHBondContact O-N 2.77Å; I263-K267 HydrophobicContact CG2-CD 4.03Å; I263-K267 VanDerWaalsContact O-CB 3.29Å; I263-K267 WeakPolarHBondContact O-CB 3.35Å; I263-K267 WeakPolarHBondContact O-CG 3.33Å; I263-K267 PolarHBondContact O-N 2.89Å; I263-L285 HydrophobicContact CD1-CD2 4.16Å; I263-L285 HydrophobicContact CG1-CD2 3.53Å; I263-V298 HydrophobicContact CD1-CB 4.15Å; I263-V298 HydrophobicContact CD1-CG1 3.7Å; I263-F301 HydrophobicContact CB-CE2 4.44Å; I263-F301 HydrophobicContact CD1-CD2 3.54Å; I263-F301 HydrophobicContact CD1-CE2 3.38Å; I263-F301 HydrophobicContact CD1-CZ 4.3Å; I263-F301 HydrophobicContact CG1-CD2 4.1Å; I263-F301 HydrophobicContact CG1-CE2 3.59Å; I263-F301 HydrophobicContact CG1-CZ 4.02Å; I263-F301 HydrophobicContact CG2-CE2 3.93Å; I263-F301 HydrophobicContact CG2-CZ 4.14Å
264L95Very high92Very high108 Ų10856.6 Ų56.657%0.56526%0.264SS*.Hα-helixtrans-64.9-56.2176.7-173.5148.2000110.5K260 K261 I262 F266 K267 E268K260-L264 WeakPolarHBondContact O-CB 3.36Å; K260-L264 PolarHBondContact O-N 2.68Å; K261-L264 PolarHBondContact O-N 3.5Å; I262-L264 PolarHBondContact O-N 3.06Å; L264-F266 PolarHBondContact O-N 3.03Å; L264-K267 PolarHBondContact O-N 2.88Å; L264-E268 WeakPolarHBondContact CD2-OE2 3.31Å; L264-E268 VanDerWaalsContact O-CB 3.28Å; L264-E268 WeakPolarHBondContact O-CB 3.39Å; L264-E268 PolarHBondContact O-N 2.82Å
265E94.5Very high91.5Very high24 Ų2461.1 Ų61.111%0.11229%0.285CS..Hα-helixtrans-56.8-50.1-175.9-167.686.7-152.600112.5Y172 V216 K261 I262 E268 K269Y172-E265 WeakPolarHBondContact CE2-OE1 3.46Å; Y172-E265 VanDerWaalsContact CZ-OE1 3.32Å; Y172-E265 VanDerWaalsContact OH-CD 3.22Å; Y172-E265 PolarHBondContact OH-OE1 3.1Å; V216-E265 HydrophobicContact CG1-CB 3.59Å; V216-E265 HydrophobicContact CG1-CG 3.54Å; K261-E265 WeakPolarHBondContact O-CB 3.29Å; K261-E265 PolarHBondContact O-N 3.03Å; I262-E265 PolarHBondContact O-N 2.9Å; E265-E268 PolarHBondContact O-N 3.2Å; E265-K269 WeakPolarHBondContact O-CB 3.47Å; E265-K269 PolarHBondContact O-N 3.48Å; E265-K269 WeakPolarHBondContact OE1-CD 3.21Å; E265-K269 WeakPolarHBondContact OE1-CE 3.42Å; E265-K269 IonicContact OE1-NZ 2.63Å; E265-K269 PolarHBondContact OE1-NZ 2.98Å
266F93Very high90.9Very high8 Ų863.9 Ų63.94%0.03530%0.303CS..Hα-helixtrans-75.7-24.2-175.8-81.5-92.1000113.8L219 Y220 L223 I262 L264 C270 C280 I283 I392L219-F266 HydrophobicContact CB-CE2 4.32Å; L219-F266 HydrophobicContact CB-CZ 4.43Å; Y220-F266 VanDerWaalsContact CA-CZ 3.48Å; Y220-F266 HydrophobicContact CD2-CD1 4.48Å; Y220-F266 HydrophobicContact CD2-CE1 4.23Å; Y220-F266 HydrophobicContact CD2-CZ 4.41Å; L223-F266 HydrophobicContact CB-CE1 4.41Å; L223-F266 HydrophobicContact CD1-CE1 4.2Å; L223-F266 HydrophobicContact CD1-CZ 4.02Å; I262-F266 HydrophobicContact CG2-CD2 3.8Å; I262-F266 HydrophobicContact CG2-CE2 4.08Å; I262-F266 WeakPolarHBondContact O-CB 3.37Å; I262-F266 WeakPolarHBondContact O-CD2 3.5Å; I262-F266 PolarHBondContact O-N 3.47Å; L264-F266 PolarHBondContact O-N 3.03Å; F266-C270 WeakPolarHBondContact O-CB 3.44Å; F266-C270 PolarHBondContact O-N 3.04Å; F266-C280 WeakPolarHBondContact CB-O 3.39Å; F266-I283 HydrophobicContact CB-CD1 4.21Å; F266-I283 HydrophobicContact CB-CG1 4.16Å; F266-I283 HydrophobicContact CD1-CB 4.37Å; F266-I283 HydrophobicContact CD1-CD1 3.57Å; F266-I283 HydrophobicContact CD1-CG1 3.63Å; F266-I283 HydrophobicContact CD1-CG2 3.81Å; F266-I283 HydrophobicContact CD2-CD1 3.91Å; F266-I283 HydrophobicContact CE1-CD1 3.73Å; F266-I283 HydrophobicContact CE1-CG1 4.1Å; F266-I283 HydrophobicContact CE1-CG2 3.69Å; F266-I283 HydrophobicContact CE2-CD1 4.05Å; F266-I283 HydrophobicContact CG-CD1 3.64Å; F266-I283 HydrophobicContact CG-CG1 3.93Å; F266-I283 HydrophobicContact CZ-CD1 3.94Å; F266-I392 HydrophobicContact CE2-CD1 4.39Å; F266-I392 HydrophobicContact CZ-CD1 4.47Å
267K91.6Very high90.3Very high88 Ų8869.5 Ų69.538%0.38333%0.333SS..Hα-helixtrans-80.9-34.9170.9-73.8-178.7178.6-77.90112.2I263 L264 N279I263-K267 HydrophobicContact CG2-CD 4.03Å; I263-K267 VanDerWaalsContact O-CB 3.29Å; I263-K267 WeakPolarHBondContact O-CB 3.35Å; I263-K267 WeakPolarHBondContact O-CG 3.33Å; I263-K267 PolarHBondContact O-N 2.89Å; L264-K267 PolarHBondContact O-N 2.88Å; K267-N279 PolarHBondContact NZ-O 3.45Å
268E90.9Very high89.9Confident114 Ų11466 Ų6653%0.53332%0.321SS..Hα-helixtrans-68.7-43178.1-171.7177.6165.200111.8L264 E265 K273L264-E268 WeakPolarHBondContact CD2-OE2 3.31Å; L264-E268 VanDerWaalsContact O-CB 3.28Å; L264-E268 WeakPolarHBondContact O-CB 3.39Å; L264-E268 PolarHBondContact O-N 2.82Å; E265-E268 PolarHBondContact O-N 3.2Å; E268-K273 WeakPolarHBondContact O-CE 3.36Å; E268-K273 PolarHBondContact O-NZ 2.76Å
269K87.1Confident89.6Confident55 Ų5568.1 Ų68.124%0.23933%0.332CS..THydrogen-bonded Turntrans-9815.2-176.6-64.1173.3176.3172.60114R168 Y172 D175 Y220 E265R168-K269 PolarHBondContact NH2-O 2.93Å; Y172-K269 HydrophobicContact CD2-CD 3.91Å; Y172-K269 HydrophobicContact CE2-CD 3.64Å; D175-K269 IonicContact OD2-NZ 3.74Å; D175-K269 PolarHBondContact OD2-NZ 2.95Å; Y220-K269 HydrophobicContact CE2-CB 4.01Å; Y220-K269 HydrophobicContact CE2-CD 4.48Å; E265-K269 WeakPolarHBondContact O-CB 3.47Å; E265-K269 PolarHBondContact O-N 3.48Å; E265-K269 WeakPolarHBondContact OE1-CD 3.21Å; E265-K269 WeakPolarHBondContact OE1-CE 3.42Å; E265-K269 IonicContact OE1-NZ 2.63Å; E265-K269 PolarHBondContact OE1-NZ 2.98Å
270C85.9Confident89.3Confident13 Ų1368.1 Ų68.19%0.08833%0.332CS..  trans-64.2141.1172.4175.60000112F266 D272 G281 D282F266-C270 WeakPolarHBondContact O-CB 3.44Å; F266-C270 PolarHBondContact O-N 3.04Å; C270-D272 PolarHBondContact SG-O 3.43Å; C270-D272 VanDerWaalsContact SG-O 3.34Å; C270-G281 VanDerWaalsContact SG-CA 3.6Å; C270-D282 WeakPolarHBondContact CA-OD2 2.99Å; C270-D282 PolarHBondContact SG-OD1 3.02Å
271K82.9Confident89Confident125 Ų12566.4 Ų66.454%0.54333%0.325SS..SBendtrans-62.7-53.1-177.7-70.3173.8-169.1175.90113.7D282K271-D282 WeakPolarHBondContact CG-OD2 3.5Å; K271-D282 PolarHBondContact N-OD1 3.06Å; K271-D282 PolarHBondContact N-OD2 2.81Å
272D83.8Confident88.5Confident62 Ų6263.4 Ų63.433%0.33231%0.312SS..  trans-122.4113.7175.2-178.511.3000110.2C270 K274 N275C270-D272 PolarHBondContact SG-O 3.43Å; C270-D272 VanDerWaalsContact SG-O 3.34Å; D272-K274 VanDerWaalsContact C-N 3.27Å; D272-K274 PolarHBondContact O-N 3.08Å; D272-K274 WeakPolarHBondContact OD1-CB 3.5Å; D272-K274 PolarHBondContact OD1-N 2.89Å; D272-N275 CarbonylContact O-C 3.54Å; D272-N275 VanDerWaalsContact OD2-CB 3.28Å; D272-N275 WeakPolarHBondContact OD2-CB 3.43Å; D272-N275 PolarHBondContact OD2-N 2.7Å; D272-N275 VanDerWaalsContact OD2-N 3.11Å; D272-N275 PolarHBondContact OD2-ND2 2.54Å
273K83.9Confident88.3Confident144 Ų14463.6 Ų63.663%0.62631%0.314SS*.SBendtrans-76.9-12.5179.2-66.3179.1178.2175.30113E268E268-K273 WeakPolarHBondContact O-CE 3.36Å; E268-K273 PolarHBondContact O-NZ 2.76Å
274K82.1Confident88.2Confident186 Ų18664.2 Ų64.281%0.80932%0.317SS*.SBendtrans-84.3-47.1171.4-61.2-178.7179.3-179.70111D272 P276D272-K274 VanDerWaalsContact C-N 3.27Å; D272-K274 PolarHBondContact O-N 3.08Å; D272-K274 WeakPolarHBondContact OD1-CB 3.5Å; D272-K274 PolarHBondContact OD1-N 2.89Å; K274-P276 VanDerWaalsContact C-CD 3.48Å; K274-P276 WeakPolarHBondContact O-CD 3.42Å
275N81.9Confident88.3Confident116 Ų11659 Ų5962%0.6229%0.29SS*.SBendtrans-120.971.8-177.7-49.3-77.6000112.1D272D272-N275 CarbonylContact O-C 3.54Å; D272-N275 VanDerWaalsContact OD2-CB 3.28Å; D272-N275 WeakPolarHBondContact OD2-CB 3.43Å; D272-N275 PolarHBondContact OD2-N 2.7Å; D272-N275 VanDerWaalsContact OD2-N 3.11Å; D272-N275 PolarHBondContact OD2-ND2 2.54Å
276P85.1Confident88.5Confident62 Ų6258 Ų5840%0.40329%0.285SS..  trans-65.4137178.927.7-35.3000111.8K274 G278 G281K274-P276 VanDerWaalsContact C-CD 3.48Å; K274-P276 WeakPolarHBondContact O-CD 3.42Å; P276-G278 PolarHBondContact O-N 3.41Å; P276-G278 VanDerWaalsContact O-N 3.14Å; P276-G281 WeakPolarHBondContact CB-O 3.36Å
277L83.3Confident88.7Confident125 Ų12557.6 Ų57.665%0.65428%0.283SS*.SBendtrans-70.4-6.2-177.5-61.6171.2000114.4G281L277-G281 PolarHBondContact N-O 2.88Å
278G86.5Confident88.9Confident15 Ų1553.7 Ų53.716%0.15527%0.267CS..BIsolated β-bridgetrans-158.5-178.9178.600000113P276 C280 G281 I283 N284P276-G278 PolarHBondContact O-N 3.41Å; P276-G278 VanDerWaalsContact O-N 3.14Å; G278-C280 PolarHBondContact O-N 3.48Å; G278-C280 VanDerWaalsContact O-N 3.14Å; G278-G281 CarbonylContact C-O 3.45Å; G278-G281 WeakPolarHBondContact CA-O 3.33Å; G278-G281 PolarHBondContact N-O 3.2Å; G278-G281 VanDerWaalsContact O-O 3.12Å; G278-I283 CarbonylContact C-O 3.6Å; G278-N284 WeakPolarHBondContact CA-OD1 3.44Å
279N90.3Very high88.8Confident46 Ų4649 Ų4925%0.24625%0.249CC..THydrogen-bonded Turntrans-64-21.4-176.871.512.3000113.6K267 I283 N284 L285 F301 Q306K267-N279 PolarHBondContact NZ-O 3.45Å; N279-I283 PolarHBondContact N-O 3.02Å; N279-I283 PolarHBondContact OD1-O 3.33Å; N279-N284 PolarHBondContact N-OD1 2.66Å; N279-L285 PolarHBondContact ND2-O 3.07Å; N279-L285 PolarHBondContact OD1-N 2.93Å; N279-F301 HydrophobicContact CB-CE1 4.32Å; N279-Q306 PolarHBondContact ND2-OE1 2.74Å
280C91.3Very high88.6Confident0 Ų050.2 Ų50.20%026%0.263CS..BIsolated β-bridgetrans-129.358.5-172.2-164.60000110.8F266 G278 I283 L285 F301F266-C280 WeakPolarHBondContact CB-O 3.39Å; G278-C280 PolarHBondContact O-N 3.48Å; G278-C280 VanDerWaalsContact O-N 3.14Å; C280-I283 HydrophobicContact CB-CG1 4.11Å; C280-I283 PolarHBondContact N-O 3.42Å; C280-I283 VanDerWaalsContact O-CG1 3.31Å; C280-I283 WeakPolarHBondContact O-CG1 3.47Å; C280-L285 HydrophobicContact CB-CB 3.84Å; C280-L285 HydrophobicContact CB-CD2 4.38Å; C280-F301 HydrophobicContact CB-CE1 3.8Å; C280-F301 HydrophobicContact CB-CZ 4.24Å
281G89.3Confident88.5Confident2 Ų252.7 Ų52.72%0.02127%0.273CS..BIsolated β-bridgetrans75.9-128.2-173.200000109.6C270 P276 L277 G278 I283C270-G281 VanDerWaalsContact SG-CA 3.6Å; P276-G281 WeakPolarHBondContact CB-O 3.36Å; L277-G281 PolarHBondContact N-O 2.88Å; G278-G281 CarbonylContact C-O 3.45Å; G278-G281 WeakPolarHBondContact CA-O 3.33Å; G278-G281 PolarHBondContact N-O 3.2Å; G278-G281 VanDerWaalsContact O-O 3.12Å; G281-I283 PolarHBondContact O-N 2.82Å
282D87.9Confident88.5Confident19 Ų1954.2 Ų54.210%0.10228%0.279CS..THydrogen-bonded Turntrans-79.58.8-179.2-57.9-31.9000113.8C270 K271C270-D282 WeakPolarHBondContact CA-OD2 2.99Å; C270-D282 PolarHBondContact SG-OD1 3.02Å; K271-D282 WeakPolarHBondContact CG-OD2 3.5Å; K271-D282 PolarHBondContact N-OD1 3.06Å; K271-D282 PolarHBondContact N-OD2 2.81Å
283I92.4Very high88.6Confident5 Ų553.3 Ų53.33%0.02628%0.278CS..BIsolated β-bridgetrans-134.4159.1-175.465.3156.5000114.7L223 I262 F266 G278 N279 C280 G281 H391 I392L223-I283 HydrophobicContact CB-CG2 4.41Å; L223-I283 HydrophobicContact CD1-CD1 4.27Å; L223-I283 HydrophobicContact CD1-CG2 3.87Å; I262-I283 HydrophobicContact CG2-CD1 4.49Å; F266-I283 HydrophobicContact CB-CD1 4.21Å; F266-I283 HydrophobicContact CB-CG1 4.16Å; F266-I283 HydrophobicContact CD1-CB 4.37Å; F266-I283 HydrophobicContact CD1-CD1 3.57Å; F266-I283 HydrophobicContact CD1-CG1 3.63Å; F266-I283 HydrophobicContact CD1-CG2 3.81Å; F266-I283 HydrophobicContact CD2-CD1 3.91Å; F266-I283 HydrophobicContact CE1-CD1 3.73Å; F266-I283 HydrophobicContact CE1-CG1 4.1Å; F266-I283 HydrophobicContact CE1-CG2 3.69Å; F266-I283 HydrophobicContact CE2-CD1 4.05Å; F266-I283 HydrophobicContact CG-CD1 3.64Å; F266-I283 HydrophobicContact CG-CG1 3.93Å; F266-I283 HydrophobicContact CZ-CD1 3.94Å; G278-I283 CarbonylContact C-O 3.6Å; N279-I283 PolarHBondContact N-O 3.02Å; N279-I283 PolarHBondContact OD1-O 3.33Å; C280-I283 HydrophobicContact CB-CG1 4.11Å; C280-I283 PolarHBondContact N-O 3.42Å; C280-I283 VanDerWaalsContact O-CG1 3.31Å; C280-I283 WeakPolarHBondContact O-CG1 3.47Å; G281-I283 PolarHBondContact O-N 2.82Å; I283-H391 WeakPolarHBondContact CA-ND1 3.43Å; I283-H391 HydrophobicContact CB-CB 4.3Å; I283-I392 HydrophobicContact CD1-CD1 3.57Å; I283-I392 HydrophobicContact CD1-CG1 4.21Å
284N94.3Very high88.9Confident31 Ų3147.2 Ų47.217%0.16625%0.252CS..  trans-102.2113.7172.2-73.8-15.9000110.3G278 N279 E389 H391 I392G278-N284 WeakPolarHBondContact CA-OD1 3.44Å; N279-N284 PolarHBondContact N-OD1 2.66Å; N284-E389 PolarHBondContact ND2-O 2.85Å; N284-E389 VanDerWaalsContact ND2-O 3.07Å; N284-H391 PolarHBondContact N-ND1 2.86Å; N284-H391 PolarHBondContact O-N 2.86Å; N284-I392 PolarHBondContact O-N 3.03Å
285L96.7Very high89.4Confident0 Ų040.9 Ų40.90%023%0.227CC..EExtended strand (participates in β ladder)trans-109.1132.6-179.3179.363.5000110.2M259 I262 I263 N279 C280 F301 Q306 I392M259-L285 HydrophobicContact CE-CD1 4.03Å; M259-L285 HydrophobicContact CE-CD2 3.62Å; M259-L285 HydrophobicContact CE-CG 3.65Å; I262-L285 HydrophobicContact CG2-CD1 4.37Å; I262-L285 HydrophobicContact CG2-CD2 4.17Å; I263-L285 HydrophobicContact CD1-CD2 4.16Å; I263-L285 HydrophobicContact CG1-CD2 3.53Å; N279-L285 PolarHBondContact ND2-O 3.07Å; N279-L285 PolarHBondContact OD1-N 2.93Å; C280-L285 HydrophobicContact CB-CB 3.84Å; C280-L285 HydrophobicContact CB-CD2 4.38Å; L285-F301 HydrophobicContact CB-CD1 4.28Å; L285-F301 HydrophobicContact CD2-CD1 4.4Å; L285-F301 HydrophobicContact CD2-CG 4.45Å; L285-Q306 PolarHBondContact O-NE2 3.23Å; L285-I392 HydrophobicContact CD1-CB 3.75Å; L285-I392 HydrophobicContact CD1-CG2 3.77Å
286V97.5Very high89.8Confident1 Ų140.1 Ų40.11%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-130.4127.5-179.3-178.10000110.6L288 L303 I386 I392 I393 C394V286-L288 HydrophobicContact CG1-CD2 3.76Å; V286-L288 HydrophobicContact CG1-CG 4.5Å; V286-L303 HydrophobicContact CG1-CB 4.1Å; V286-L303 HydrophobicContact CG1-CD1 4.13Å; V286-I386 HydrophobicContact CG2-CG2 3.88Å; V286-I392 PolarHBondContact N-O 3.35Å; V286-I393 CarbonylContact O-C 3.44Å; V286-I393 WeakPolarHBondContact O-CA 3.37Å; V286-C394 PolarHBondContact O-N 3.43Å
287R97.6Very high90.2Very high0 Ų042 Ų420%023%0.234CC..EExtended strand (participates in β ladder)trans-96.7126.2170176.956.8152.7100.65.7110.3N252 D256 M259 I294 F301 S302 L303 C394N252-R287 PolarHBondContact O-NH2 2.82Å; N252-R287 PolarHBondContact OD1-NH1 3.28Å; N252-R287 PolarHBondContact OD1-NH2 2.81Å; D256-R287 IonicContact OD1-CZ 2.75Å; D256-R287 IonicContact OD1-NE 2.78Å; D256-R287 PolarHBondContact OD1-NE 2.89Å; D256-R287 IonicContact OD1-NH2 3.85Å; D256-R287 PolarHBondContact OD1-NH2 2.81Å; D256-R287 IonicContact OD2-NH2 3.73Å; M259-R287 HydrophobicContact CE-CB 3.86Å; M259-R287 HydrophobicContact SD-CB 3.69Å; M259-R287 HydrophobicContact SD-CG 3.96Å; R287-I294 HydrophobicContact CG-CD1 3.63Å; R287-I294 HydrophobicContact CG-CG1 4.18Å; R287-I294 HydrophobicContact CG-CG2 4.29Å; R287-F301 PolarHBondContact N-O 3.21Å; R287-S302 CarbonylContact O-C 3.53Å; R287-S302 WeakPolarHBondContact O-CA 3.5Å; R287-L303 PolarHBondContact O-N 2.68Å; R287-C394 CarbonylContact C-O 3.58Å; R287-C394 WeakPolarHBondContact CA-O 3.44Å; R287-C394 VanDerWaalsContact CD-O 3.29Å; R287-C394 WeakPolarHBondContact CD-O 3.28Å
288L95.4Very high90.7Very high6 Ų636 Ų363%0.03120%0.203CC..  trans-106.4132.7169.9-49.4-179.1000110.3V286 L303 I393 C394 C395 T399 L404 L405V286-L288 HydrophobicContact CG1-CD2 3.76Å; V286-L288 HydrophobicContact CG1-CG 4.5Å; L288-L303 HydrophobicContact CD2-CB 3.72Å; L288-L303 HydrophobicContact CD2-CD2 3.86Å; L288-L303 HydrophobicContact CD2-CG 4.35Å; L288-I393 HydrophobicContact CD1-CG2 3.66Å; L288-I393 HydrophobicContact CG-CG2 3.86Å; L288-C394 PolarHBondContact N-O 3.24Å; L288-C395 HydrophobicContact CB-CB 3.85Å; L288-T399 HydrophobicContact CB-CG2 3.9Å; L288-L404 HydrophobicContact CD1-CD2 4.42Å; L288-L404 HydrophobicContact CD2-CD2 4.04Å; L288-L405 HydrophobicContact CD1-CD1 3.99Å; L288-L405 HydrophobicContact CD1-CD2 3.56Å; L288-L405 HydrophobicContact CD1-CG 3.67Å
289G88.4Confident91Very high16 Ų1637.9 Ų37.917%0.16521%0.209CC..SBendtrans152.8161.7-17800000110.2E291 I294G289-E291 PolarHBondContact O-N 3.19Å; G289-I294 WeakPolarHBondContact O-CD1 3.49Å
290P83.2Confident91.1Very high81 Ų8141.7 Ų41.753%0.52622%0.223SC..  trans-69.8130.3178.327.5-30.6000110.3K292 S293P290-K292 PolarHBondContact O-N 2.87Å; P290-K292 VanDerWaalsContact O-N 3.1Å; P290-S293 WeakPolarHBondContact CG-OG 3.26Å; P290-S293 PolarHBondContact O-N 3.31Å; P290-S293 PolarHBondContact O-OG 2.93Å
291E84.1Confident91.4Very high65 Ų6542 Ų4230%0.30423%0.225SC..G310 helixtrans-55.2-34.3-173.1-67.2-162128.500114.1G289 S293 I294 L299 S302 D304 S305G289-E291 PolarHBondContact O-N 3.19Å; E291-S293 PolarHBondContact O-N 3.16Å; E291-I294 PolarHBondContact O-N 2.99Å; E291-L299 HydrophobicContact CB-CD1 3.77Å; E291-L299 HydrophobicContact CG-CD1 3.85Å; E291-S302 PolarHBondContact OE1-OG 2.8Å; E291-D304 HydrophobicContact CG-CB 4.39Å; E291-S305 WeakPolarHBondContact OE1-CB 3.45Å; E291-S305 PolarHBondContact OE1-N 2.92Å; E291-S305 PolarHBondContact OE1-OG 3.23Å
292K82.4Confident91.7Very high156 Ų15641.9 Ų41.968%0.67822%0.224SC*.G310 helixtrans-57.3-17.7174.8-62.7176.4-178.6168.20114.1A42 K43 P290A42-K292 PolarHBondContact O-NZ 3.43Å; K43-K292 PolarHBondContact O-NZ 2.92Å; P290-K292 PolarHBondContact O-N 2.87Å; P290-K292 VanDerWaalsContact O-N 3.1Å
293S86.3Confident91.9Very high44 Ų4441.1 Ų41.131%0.30822%0.22SC..G310 helixtrans-113.410.9178.875.10000114.4N252 P290 E291N252-S293 PolarHBondContact ND2-OG 2.67Å; N252-S293 VanDerWaalsContact ND2-OG 3.11Å; P290-S293 WeakPolarHBondContact CG-OG 3.26Å; P290-S293 PolarHBondContact O-N 3.31Å; P290-S293 PolarHBondContact O-OG 2.93Å; E291-S293 PolarHBondContact O-N 3.16Å
294I90.4Very high91.7Very high16 Ų1643.7 Ų43.78%0.08223%0.234CC..SBendtrans-104.9135.4-178.7-63.9173.1000109.2D256 R287 G289 E291 S296 V298 L299D256-I294 WeakPolarHBondContact OD2-CA 2.96Å; R287-I294 HydrophobicContact CG-CD1 3.63Å; R287-I294 HydrophobicContact CG-CG1 4.18Å; R287-I294 HydrophobicContact CG-CG2 4.29Å; G289-I294 WeakPolarHBondContact O-CD1 3.49Å; E291-I294 PolarHBondContact O-N 2.99Å; I294-S296 PolarHBondContact O-N 3.39Å; I294-V298 HydrophobicContact CG2-CG2 3.6Å; I294-L299 HydrophobicContact CB-CD1 4.39Å; I294-L299 HydrophobicContact CG2-CB 4.43Å; I294-L299 HydrophobicContact CG2-CD1 4.44Å
295N92.3Very high91.4Very high53 Ų5343.9 Ų43.928%0.28324%0.237SC..  trans-61.8134.5176.2-179.5-69.2000111.4D256 K260 E297 V298 L299D256-N295 HydrophobicContact CB-CB 4.05Å; D256-N295 PolarHBondContact OD2-N 3.35Å; K260-N295 PolarHBondContact NZ-ND2 3.32Å; N295-E297 PolarHBondContact O-N 3.49Å; N295-E297 VanDerWaalsContact O-N 3.13Å; N295-E297 VanDerWaalsContact OD1-CB 3.23Å; N295-E297 WeakPolarHBondContact OD1-CB 3.32Å; N295-E297 WeakPolarHBondContact OD1-CG 3.42Å; N295-E297 PolarHBondContact OD1-N 2.89Å; N295-E297 PolarHBondContact OD1-OE1 3.02Å; N295-V298 HydrophobicContact CB-CG2 4.38Å; N295-V298 WeakPolarHBondContact O-CG2 3.39Å; N295-V298 PolarHBondContact O-N 3.45Å; N295-L299 PolarHBondContact O-N 3.27Å
296S91.4Very high91.2Very high99 Ų9945.3 Ų45.369%0.69224%0.244SC*.Hα-helixtrans-57.2-29.6-175.551.60000114.6I294 V298I294-S296 PolarHBondContact O-N 3.39Å; S296-V298 VanDerWaalsContact C-N 3.27Å; S296-V298 PolarHBondContact O-N 2.91Å
297E92.5Very high90.8Very high101 Ų10145.5 Ų45.547%0.47225%0.245SC..Hα-helixtrans-63.7-33.9176.7-61163.1-131.500112K260 N295 K300K260-E297 WeakPolarHBondContact CD-OE2 3.48Å; K260-E297 VanDerWaalsContact CE-CD 3.42Å; K260-E297 WeakPolarHBondContact CE-OE2 3.26Å; K260-E297 IonicContact NZ-OE1 3.46Å; K260-E297 PolarHBondContact NZ-OE1 2.96Å; K260-E297 IonicContact NZ-OE2 3.57Å; K260-E297 PolarHBondContact NZ-OE2 3.19Å; N295-E297 PolarHBondContact O-N 3.49Å; N295-E297 VanDerWaalsContact O-N 3.13Å; N295-E297 VanDerWaalsContact OD1-CB 3.23Å; N295-E297 WeakPolarHBondContact OD1-CB 3.32Å; N295-E297 WeakPolarHBondContact OD1-CG 3.42Å; N295-E297 PolarHBondContact OD1-N 2.89Å; N295-E297 PolarHBondContact OD1-OE1 3.02Å; E297-K300 PolarHBondContact O-NZ 3.03Å
298V94.4Very high90.1Very high1 Ų149.8 Ų49.81%0.00627%0.268CS..Hα-helixtrans-105.1-8.6-177.9-46.80000113.4D256 M259 K260 I263 I294 N295 S296 K300 F301D256-V298 HydrophobicContact CB-CG2 4.05Å; M259-V298 HydrophobicContact CB-CG1 4.19Å; K260-V298 HydrophobicContact CG-CG1 3.74Å; I263-V298 HydrophobicContact CD1-CB 4.15Å; I263-V298 HydrophobicContact CD1-CG1 3.7Å; I294-V298 HydrophobicContact CG2-CG2 3.6Å; N295-V298 HydrophobicContact CB-CG2 4.38Å; N295-V298 WeakPolarHBondContact O-CG2 3.39Å; N295-V298 PolarHBondContact O-N 3.45Å; S296-V298 VanDerWaalsContact C-N 3.27Å; S296-V298 PolarHBondContact O-N 2.91Å; V298-K300 PolarHBondContact O-N 3.49Å; V298-K300 VanDerWaalsContact O-N 3.14Å; V298-F301 WeakPolarHBondContact O-CA 3.49Å; V298-F301 WeakPolarHBondContact O-CB 3.3Å; V298-F301 PolarHBondContact O-N 3.14Å
299L92.6Very high89.7Confident53 Ų5355.6 Ų55.628%0.27730%0.295SS..Hα-helixtrans-52.3-36.8-178.4178.762.1000113.6E291 I294 N295 F301 S302E291-L299 HydrophobicContact CB-CD1 3.77Å; E291-L299 HydrophobicContact CG-CD1 3.85Å; I294-L299 HydrophobicContact CB-CD1 4.39Å; I294-L299 HydrophobicContact CG2-CB 4.43Å; I294-L299 HydrophobicContact CG2-CD1 4.44Å; N295-L299 PolarHBondContact O-N 3.27Å; L299-F301 PolarHBondContact O-N 3.48Å; L299-S302 VanDerWaalsContact O-CB 3.25Å; L299-S302 WeakPolarHBondContact O-CB 3.26Å; L299-S302 PolarHBondContact O-N 2.78Å; L299-S302 PolarHBondContact O-OG 3.02Å
300K93.3Very high89.5Confident126 Ų12657.9 Ų57.955%0.54830%0.298SS..THydrogen-bonded Turntrans-59-15.3173.967.8-166176.5-116.30115.2E297 V298E297-K300 PolarHBondContact O-NZ 3.03Å; V298-K300 PolarHBondContact O-N 3.49Å; V298-K300 VanDerWaalsContact O-N 3.14Å
301F96.3Very high89.3Confident6 Ų655.8 Ų55.83%0.02628%0.282CS..THydrogen-bonded Turntrans-99.10.4173.4-61-76.8000113.1M259 I263 N279 C280 L285 R287 V298 L299 Q306M259-F301 HydrophobicContact CE-CB 3.91Å; M259-F301 HydrophobicContact CE-CG 4.49Å; I263-F301 HydrophobicContact CB-CE2 4.44Å; I263-F301 HydrophobicContact CD1-CD2 3.54Å; I263-F301 HydrophobicContact CD1-CE2 3.38Å; I263-F301 HydrophobicContact CD1-CZ 4.3Å; I263-F301 HydrophobicContact CG1-CD2 4.1Å; I263-F301 HydrophobicContact CG1-CE2 3.59Å; I263-F301 HydrophobicContact CG1-CZ 4.02Å; I263-F301 HydrophobicContact CG2-CE2 3.93Å; I263-F301 HydrophobicContact CG2-CZ 4.14Å; N279-F301 HydrophobicContact CB-CE1 4.32Å; C280-F301 HydrophobicContact CB-CE1 3.8Å; C280-F301 HydrophobicContact CB-CZ 4.24Å; L285-F301 HydrophobicContact CB-CD1 4.28Å; L285-F301 HydrophobicContact CD2-CD1 4.4Å; L285-F301 HydrophobicContact CD2-CG 4.45Å; R287-F301 PolarHBondContact N-O 3.21Å; V298-F301 WeakPolarHBondContact O-CA 3.49Å; V298-F301 WeakPolarHBondContact O-CB 3.3Å; V298-F301 PolarHBondContact O-N 3.14Å; L299-F301 PolarHBondContact O-N 3.48Å; F301-Q306 PolarHBondContact O-NE2 3.18Å
302S95.9Very high88.9Confident0 Ų060.2 Ų60.20%030%0.3CS..BIsolated β-bridgetrans-57.3150.4169.785.90000110R287 E291 L299 D304 S305 Q306R287-S302 CarbonylContact O-C 3.53Å; R287-S302 WeakPolarHBondContact O-CA 3.5Å; E291-S302 PolarHBondContact OE1-OG 2.8Å; L299-S302 VanDerWaalsContact O-CB 3.25Å; L299-S302 WeakPolarHBondContact O-CB 3.26Å; L299-S302 PolarHBondContact O-N 2.78Å; L299-S302 PolarHBondContact O-OG 3.02Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 2.79Å; S302-S305 WeakPolarHBondContact OG-CB 3.1Å; S302-S305 PolarHBondContact OG-N 3.05Å; S302-S305 PolarHBondContact OG-OG 3.34Å; S302-Q306 WeakPolarHBondContact O-CB 3.45Å; S302-Q306 VanDerWaalsContact O-CG 3.28Å; S302-Q306 WeakPolarHBondContact O-CG 3.26Å; S302-Q306 PolarHBondContact O-N 2.66Å; S302-Q306 VanDerWaalsContact O-N 3.08Å
303L93.1Very high88.4Confident4 Ų460.9 Ų60.92%0.02130%0.303CS..Hα-helixtrans-61.5-42174.7-177.663.9000111.3V286 R287 L288 Q306 V307 Q383 I386 I387 L404V286-L303 HydrophobicContact CG1-CB 4.1Å; V286-L303 HydrophobicContact CG1-CD1 4.13Å; R287-L303 PolarHBondContact O-N 2.68Å; L288-L303 HydrophobicContact CD2-CB 3.72Å; L288-L303 HydrophobicContact CD2-CD2 3.86Å; L288-L303 HydrophobicContact CD2-CG 4.35Å; L303-Q306 PolarHBondContact O-N 3.3Å; L303-V307 HydrophobicContact CD1-CG2 4.17Å; L303-V307 HydrophobicContact CG-CG2 4.17Å; L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 WeakPolarHBondContact O-CG2 3.36Å; L303-V307 PolarHBondContact O-N 2.94Å; L303-Q383 HydrophobicContact CD2-CB 3.96Å; L303-Q383 HydrophobicContact CD2-CG 3.81Å; L303-Q383 HydrophobicContact CG-CG 4.12Å; L303-I386 HydrophobicContact CD1-CB 3.79Å; L303-I386 HydrophobicContact CD1-CD1 4.43Å; L303-I386 HydrophobicContact CD1-CG2 3.54Å; L303-I387 HydrophobicContact CD1-CG1 4.35Å; L303-I387 HydrophobicContact CD2-CD1 3.9Å; L303-I387 HydrophobicContact CD2-CG1 4.22Å; L303-L404 HydrophobicContact CD2-CD1 4.02Å; L303-L404 HydrophobicContact CD2-CD2 3.73Å; L303-L404 HydrophobicContact CD2-CG 4.29Å
304D87.4Confident87.2Confident59 Ų5963.6 Ų63.632%0.31631%0.311SS..Hα-helixtrans-68.8-40.9-175-59.7-46.3000111.8E291 S302 Q306 V307 N308 Q383E291-D304 HydrophobicContact CG-CB 4.39Å; S302-D304 VanDerWaalsContact C-N 3.3Å; S302-D304 PolarHBondContact O-N 2.79Å; D304-Q306 VanDerWaalsContact C-N 3.35Å; D304-Q306 PolarHBondContact O-N 3.05Å; D304-V307 PolarHBondContact O-N 3.43Å; D304-N308 VanDerWaalsContact O-CB 3.24Å; D304-N308 WeakPolarHBondContact O-CB 3.47Å; D304-N308 PolarHBondContact O-N 2.93Å; D304-N308 PolarHBondContact O-ND2 3.17Å; D304-Q383 PolarHBondContact OD1-NE2 3.12Å
305S88.8Confident85.8Confident34 Ų3464.4 Ų64.424%0.23832%0.315CS..Hα-helixtrans-63.6-37.3170.7-76.20000112.5E291 S302 H309E291-S305 WeakPolarHBondContact OE1-CB 3.45Å; E291-S305 PolarHBondContact OE1-N 2.92Å; E291-S305 PolarHBondContact OE1-OG 3.23Å; S302-S305 WeakPolarHBondContact OG-CB 3.1Å; S302-S305 PolarHBondContact OG-N 3.05Å; S302-S305 PolarHBondContact OG-OG 3.34Å; S305-H309 WeakPolarHBondContact O-CB 3.41Å; S305-H309 PolarHBondContact O-N 3.44Å
306Q92.6Very high84.5Confident30 Ų3065 Ų6514%0.1432%0.322CS..Hα-helixtrans-69.7-39.8175.5-73.3-173.274.600112.9N279 L285 F301 S302 L303 D304 H309 R310 I386N279-Q306 PolarHBondContact ND2-OE1 2.74Å; L285-Q306 PolarHBondContact O-NE2 3.23Å; F301-Q306 PolarHBondContact O-NE2 3.18Å; S302-Q306 WeakPolarHBondContact O-CB 3.45Å; S302-Q306 VanDerWaalsContact O-CG 3.28Å; S302-Q306 WeakPolarHBondContact O-CG 3.26Å; S302-Q306 PolarHBondContact O-N 2.66Å; S302-Q306 VanDerWaalsContact O-N 3.08Å; L303-Q306 PolarHBondContact O-N 3.3Å; D304-Q306 VanDerWaalsContact C-N 3.35Å; D304-Q306 PolarHBondContact O-N 3.05Å; Q306-H309 PolarHBondContact O-N 3.39Å; Q306-R310 WeakPolarHBondContact O-CB 3.24Å; Q306-R310 PolarHBondContact O-N 3.39Å; Q306-I386 HydrophobicContact CB-CD1 4.15Å; Q306-I386 HydrophobicContact CB-CG2 4.46Å
307V88.1Confident83.1Confident6 Ų665.3 Ų65.34%0.03632%0.324CS..Hα-helixtrans-62.4-49.7172.4170.70000109.8L303 D304 H309 R310 M311 P379 T382 Q383 I386L303-V307 HydrophobicContact CD1-CG2 4.17Å; L303-V307 HydrophobicContact CG-CG2 4.17Å; L303-V307 WeakPolarHBondContact O-CB 3.46Å; L303-V307 WeakPolarHBondContact O-CG2 3.36Å; L303-V307 PolarHBondContact O-N 2.94Å; D304-V307 PolarHBondContact O-N 3.43Å; V307-H309 VanDerWaalsContact C-N 3.28Å; V307-H309 PolarHBondContact O-N 2.82Å; V307-R310 PolarHBondContact O-N 2.98Å; V307-M311 HydrophobicContact CG1-CG 3.98Å; V307-M311 WeakPolarHBondContact O-CB 3.45Å; V307-M311 WeakPolarHBondContact O-CG 3.34Å; V307-M311 PolarHBondContact O-N 3.17Å; V307-P379 HydrophobicContact CG1-CB 4.27Å; V307-T382 HydrophobicContact CG1-CG2 4.27Å; V307-T382 HydrophobicContact CG2-CG2 4.45Å; V307-Q383 HydrophobicContact CG2-CB 4.37Å; V307-Q383 HydrophobicContact CG2-CG 3.56Å; V307-I386 HydrophobicContact CB-CD1 4.43Å; V307-I386 HydrophobicContact CG2-CD1 3.71Å
308N84.2Confident82Confident89 Ų8966.4 Ų66.448%0.47633%0.329SS..Hα-helixtrans-59.8-36.6177.7-73.8-32.9000112.2D304 K312D304-N308 VanDerWaalsContact O-CB 3.24Å; D304-N308 WeakPolarHBondContact O-CB 3.47Å; D304-N308 PolarHBondContact O-N 2.93Å; D304-N308 PolarHBondContact O-ND2 3.17Å; N308-K312 WeakPolarHBondContact O-CB 3.41Å; N308-K312 WeakPolarHBondContact O-CD 3.23Å; N308-K312 WeakPolarHBondContact O-CG 3.34Å; N308-K312 PolarHBondContact O-N 3.31Å
309H85.9Confident80.8Confident129 Ų12966.4 Ų66.460%0.59733%0.329SS*.Hα-helixtrans-69-47.7173.8-177.973.1000112S305 Q306 V307 K312 K313S305-H309 WeakPolarHBondContact O-CB 3.41Å; S305-H309 PolarHBondContact O-N 3.44Å; Q306-H309 PolarHBondContact O-N 3.39Å; V307-H309 VanDerWaalsContact C-N 3.28Å; V307-H309 PolarHBondContact O-N 2.82Å; H309-K312 PolarHBondContact O-N 3.19Å; H309-K313 WeakPolarHBondContact O-CB 3.24Å; H309-K313 PolarHBondContact O-N 3.12Å
310R84.3Confident79.7Confident63 Ų6368.9 Ų68.924%0.23834%0.339CS..Hα-helixtrans-62.7-46.4-179.6-171.1165.5-171.2159-2.4111.9Q306 V307 K312 K313 E314 T382 E389Q306-R310 WeakPolarHBondContact O-CB 3.24Å; Q306-R310 PolarHBondContact O-N 3.39Å; V307-R310 PolarHBondContact O-N 2.98Å; R310-K312 PolarHBondContact O-N 2.76Å; R310-K313 PolarHBondContact O-N 3.06Å; R310-K313 VanDerWaalsContact O-N 3.08Å; R310-E314 VanDerWaalsContact CG-CD 3.4Å; R310-E314 HydrophobicContact CG-CG 4.19Å; R310-E314 WeakPolarHBondContact CG-OE1 3.48Å; R310-E314 IonicContact CZ-OE1 2.66Å; R310-E314 IonicContact NE-OE1 3.18Å; R310-E314 PolarHBondContact NE-OE1 2.69Å; R310-E314 IonicContact NH2-OE1 3.16Å; R310-E314 WeakPolarHBondContact O-CB 3.46Å; R310-E314 WeakPolarHBondContact O-CG 3.29Å; R310-E314 PolarHBondContact O-N 3.36Å; R310-T382 HydrophobicContact CB-CG2 4.25Å; R310-T382 HydrophobicContact CG-CG2 4.18Å; R310-E389 IonicContact CZ-OE1 3.25Å; R310-E389 IonicContact CZ-OE2 2.75Å; R310-E389 IonicContact NH1-OE1 3.53Å; R310-E389 PolarHBondContact NH1-OE1 2.95Å; R310-E389 IonicContact NH1-OE2 2.68Å; R310-E389 PolarHBondContact NH1-OE2 2.83Å; R310-E389 IonicContact NH2-OE1 2.91Å; R310-E389 PolarHBondContact NH2-OE1 3.21Å; R310-E389 IonicContact NH2-OE2 2.68Å
311M78.3Confident78.9Confident38 Ų3865.7 Ų65.719%0.18734%0.336CS..Hα-helixtrans-67.6-20.4177.3-56.3-83.569.400113.5V307 E314 T382V307-M311 HydrophobicContact CG1-CG 3.98Å; V307-M311 WeakPolarHBondContact O-CB 3.45Å; V307-M311 WeakPolarHBondContact O-CG 3.34Å; V307-M311 PolarHBondContact O-N 3.17Å; M311-E314 VanDerWaalsContact CE-OE2 3.26Å; M311-E314 WeakPolarHBondContact CE-OE2 3.45Å; M311-T382 HydrophobicContact CE-CG2 3.91Å; M311-T382 WeakPolarHBondContact CE-OG1 3.31Å; M311-T382 HydrophobicContact CG-CG2 4.17Å; M311-T382 HydrophobicContact SD-CG2 4Å; M311-T382 PolarHBondContact SD-OG1 2.69Å
312K75.4Confident78Confident157 Ų15766.2 Ų66.268%0.68334%0.339SS*.Hα-helixtrans-83.2-33.2169.2-76.7175.9-179.7-1740112.8N308 H309 R310 L315N308-K312 WeakPolarHBondContact O-CB 3.41Å; N308-K312 WeakPolarHBondContact O-CD 3.23Å; N308-K312 WeakPolarHBondContact O-CG 3.34Å; N308-K312 PolarHBondContact O-N 3.31Å; H309-K312 PolarHBondContact O-N 3.19Å; R310-K312 PolarHBondContact O-N 2.76Å; K312-L315 WeakPolarHBondContact O-CB 3.48Å
313K72.7Confident77Confident171 Ų17168.9 Ų68.974%0.74335%0.351SS*.Hα-helixtrans-78.6-36.5179.3-172.4-179.5178.2-175.30112.7H309 R310 L315H309-K313 WeakPolarHBondContact O-CB 3.24Å; H309-K313 PolarHBondContact O-N 3.12Å; R310-K313 PolarHBondContact O-N 3.06Å; R310-K313 VanDerWaalsContact O-N 3.08Å; K313-L315 PolarHBondContact O-N 2.96Å
314E61.1Low76.4Confident101 Ų10175.8 Ų75.847%0.47238%0.381SS..SBendtrans-80.24.7176.4-67.3171.6175.300112.6R310 M311 P316R310-E314 VanDerWaalsContact CG-CD 3.4Å; R310-E314 HydrophobicContact CG-CG 4.19Å; R310-E314 WeakPolarHBondContact CG-OE1 3.48Å; R310-E314 IonicContact CZ-OE1 2.66Å; R310-E314 IonicContact NE-OE1 3.18Å; R310-E314 PolarHBondContact NE-OE1 2.69Å; R310-E314 IonicContact NH2-OE1 3.16Å; R310-E314 WeakPolarHBondContact O-CB 3.46Å; R310-E314 WeakPolarHBondContact O-CG 3.29Å; R310-E314 PolarHBondContact O-N 3.36Å; M311-E314 VanDerWaalsContact CE-OE2 3.26Å; M311-E314 WeakPolarHBondContact CE-OE2 3.45Å; E314-P316 WeakPolarHBondContact O-CD 3.33Å
315L62.1Low76.2Confident33 Ų3378 Ų7817%0.17339%0.385CS..  trans-80.2110.7-173.7-158.872.9000111.4K312 K313 V319 Q320 Q376K312-L315 WeakPolarHBondContact O-CB 3.48Å; K313-L315 PolarHBondContact O-N 2.96Å; L315-V319 HydrophobicContact CD1-CB 4Å; L315-V319 HydrophobicContact CD1-CG1 3.49Å; L315-V319 VanDerWaalsContact CD1-CG1 3.49Å; L315-V319 HydrophobicContact CG-CB 4.09Å; L315-V319 HydrophobicContact CG-CG1 4.03Å; L315-Q320 HydrophobicContact CD2-CG 3.92Å; L315-Q320 HydrophobicContact CG-CG 4.43Å; L315-Q376 HydrophobicContact CD1-CG 3.97Å
316P63.3Low75.9Confident66 Ų6678.8 Ų78.843%0.42938%0.384SS..  trans-63.2154.4179.9-20.833.4000112.4E314 H318 V319 Q320E314-P316 WeakPolarHBondContact O-CD 3.33Å; P316-H318 PolarHBondContact O-N 2.84Å; P316-V319 HydrophobicContact CB-CG2 4.27Å; P316-V319 HydrophobicContact CG-CG2 4.08Å; P316-V319 WeakPolarHBondContact O-CA 3.42Å; P316-V319 PolarHBondContact O-N 2.82Å; P316-Q320 PolarHBondContact O-N 3.29Å; P316-Q320 VanDerWaalsContact O-N 3.15Å
317S63.8Low75.2Confident104 Ų10483.3 Ų83.373%0.72741%0.405SS*.Hα-helixtrans-52-40.9174.652.20000112.5V319 Q320 A321S317-V319 VanDerWaalsContact C-N 3.31Å; S317-V319 PolarHBondContact O-N 3.45Å; S317-Q320 WeakPolarHBondContact O-CB 3.28Å; S317-Q320 PolarHBondContact O-N 2.63Å; S317-A321 PolarHBondContact O-N 3.11Å
318H68.3Low75.2Confident124 Ų12487.6 Ų87.657%0.57442%0.424SS*.Hα-helixtrans-56.6-38.9172.9175.967000113.3P316 A321 M322P316-H318 PolarHBondContact O-N 2.84Å; H318-A321 WeakPolarHBondContact O-CB 3.24Å; H318-A321 PolarHBondContact O-N 2.93Å; H318-M322 PolarHBondContact O-N 2.98Å
319V69.9Low75.1Confident1 Ų183.3 Ų83.31%0.00640%0.401CS..Hα-helixtrans-76.3-31.4179.6-174.50000111.4L315 P316 S317 A321 M322 H323 V375 Q376L315-V319 HydrophobicContact CD1-CB 4Å; L315-V319 HydrophobicContact CD1-CG1 3.49Å; L315-V319 VanDerWaalsContact CD1-CG1 3.49Å; L315-V319 HydrophobicContact CG-CB 4.09Å; L315-V319 HydrophobicContact CG-CG1 4.03Å; P316-V319 HydrophobicContact CB-CG2 4.27Å; P316-V319 HydrophobicContact CG-CG2 4.08Å; P316-V319 WeakPolarHBondContact O-CA 3.42Å; P316-V319 PolarHBondContact O-N 2.82Å; S317-V319 VanDerWaalsContact C-N 3.31Å; S317-V319 PolarHBondContact O-N 3.45Å; V319-A321 VanDerWaalsContact C-N 3.31Å; V319-M322 HydrophobicContact CB-CE 4.22Å; V319-M322 HydrophobicContact CG1-CE 4.23Å; V319-M322 HydrophobicContact CG2-CE 3.78Å; V319-M322 PolarHBondContact O-N 2.97Å; V319-H323 PolarHBondContact O-CD2 2.96Å; V319-H323 VanDerWaalsContact O-CD2 3.26Å; V319-H323 PolarHBondContact O-N 3.04Å; V319-V375 HydrophobicContact CG2-CB 4.41Å; V319-V375 HydrophobicContact CG2-CG1 3.51Å; V319-Q376 HydrophobicContact CG1-CG 4.39Å
320Q70.1Confident74.4Confident106 Ų10679 Ų7950%0.49538%0.382SS..Hα-helixtrans-63.3-38.8168.5-63.5-175.110.600111.6L315 P316 S317 H323 K324L315-Q320 HydrophobicContact CD2-CG 3.92Å; L315-Q320 HydrophobicContact CG-CG 4.43Å; P316-Q320 PolarHBondContact O-N 3.29Å; P316-Q320 VanDerWaalsContact O-N 3.15Å; S317-Q320 WeakPolarHBondContact O-CB 3.28Å; S317-Q320 PolarHBondContact O-N 2.63Å; Q320-H323 PolarHBondContact O-N 3.17Å; Q320-K324 PolarHBondContact O-N 2.99Å; Q320-K324 VanDerWaalsContact O-N 3.07Å
321A74.9Confident74.2Confident58 Ų5883.7 Ų83.748%0.47940%0.401SS..Hα-helixtrans-64.6-39.4172.300000112.1S317 H318 V319 K324 R325S317-A321 PolarHBondContact O-N 3.11Å; H318-A321 WeakPolarHBondContact O-CB 3.24Å; H318-A321 PolarHBondContact O-N 2.93Å; V319-A321 VanDerWaalsContact C-N 3.31Å; A321-K324 PolarHBondContact O-N 3.5Å; A321-R325 WeakPolarHBondContact O-CB 3.39Å; A321-R325 PolarHBondContact O-N 2.88Å
322M78.4Confident74.5Confident17 Ų1785.2 Ų85.28%0.08441%0.408CS..Hα-helixtrans-62.9-40.2173-71.5-160.9-73.600113H318 V319 R325 K326 L368 K371 I372 V375H318-M322 PolarHBondContact O-N 2.98Å; V319-M322 HydrophobicContact CB-CE 4.22Å; V319-M322 HydrophobicContact CG1-CE 4.23Å; V319-M322 HydrophobicContact CG2-CE 3.78Å; V319-M322 PolarHBondContact O-N 2.97Å; M322-R325 PolarHBondContact O-N 2.86Å; M322-K326 WeakPolarHBondContact O-CB 3.33Å; M322-K326 PolarHBondContact O-N 3.41Å; M322-L368 HydrophobicContact CB-CD1 3.97Å; M322-L368 HydrophobicContact CG-CD1 3.83Å; M322-L368 HydrophobicContact SD-CD1 3.81Å; M322-K371 HydrophobicContact SD-CB 4.44Å; M322-I372 HydrophobicContact CB-CD1 4Å; M322-I372 HydrophobicContact CB-CG1 3.8Å; M322-I372 HydrophobicContact CE-CG1 4.27Å; M322-I372 HydrophobicContact SD-CG1 4.25Å; M322-V375 HydrophobicContact CE-CG2 4.42Å
323H73.9Confident74.7Confident56 Ų5678.8 Ų78.826%0.25938%0.381SS..Hα-helixtrans-62.6-47.3174-82.2-74.9000111.6V319 Q320 R325 K326 E327 Q376V319-H323 PolarHBondContact O-CD2 2.96Å; V319-H323 VanDerWaalsContact O-CD2 3.26Å; V319-H323 PolarHBondContact O-N 3.04Å; Q320-H323 PolarHBondContact O-N 3.17Å; H323-R325 VanDerWaalsContact C-N 3.34Å; H323-R325 PolarHBondContact O-N 2.91Å; H323-K326 WeakPolarHBondContact O-CB 3.39Å; H323-K326 PolarHBondContact O-N 2.79Å; H323-K326 VanDerWaalsContact O-N 3.08Å; H323-E327 WeakPolarHBondContact O-CG 3.25Å; H323-E327 PolarHBondContact O-N 2.84Å; H323-Q376 PolarHBondContact NE2-NE2 2.88Å; H323-Q376 VanDerWaalsContact NE2-NE2 3.19Å
324K81.8Confident74.6Confident149 Ų14976.6 Ų76.665%0.64838%0.377SS*.Hα-helixtrans-59.5-40.7175-71.3-177177.6-175.20112.9Q320 A321 K326 E327 F328Q320-K324 PolarHBondContact O-N 2.99Å; Q320-K324 VanDerWaalsContact O-N 3.07Å; A321-K324 PolarHBondContact O-N 3.5Å; K324-K326 VanDerWaalsContact C-N 3.34Å; K324-E327 PolarHBondContact O-N 3.32Å; K324-F328 WeakPolarHBondContact O-CB 3.37Å; K324-F328 PolarHBondContact O-N 2.92Å
325R83.6Confident75.5Confident105 Ų10574 Ų7440%0.39637%0.365SS..Hα-helixtrans-65.6-37.1174.5178.160179.5-176.91.7111.4A321 M322 H323 F328 L329 E364 L368A321-R325 WeakPolarHBondContact O-CB 3.39Å; A321-R325 PolarHBondContact O-N 2.88Å; M322-R325 PolarHBondContact O-N 2.86Å; H323-R325 VanDerWaalsContact C-N 3.34Å; H323-R325 PolarHBondContact O-N 2.91Å; R325-F328 PolarHBondContact O-N 3.17Å; R325-L329 HydrophobicContact CG-CD1 4.18Å; R325-L329 VanDerWaalsContact O-CG 3.27Å; R325-L329 WeakPolarHBondContact O-CG 3.49Å; R325-L329 PolarHBondContact O-N 2.83Å; R325-E364 IonicContact CZ-OE1 3.23Å; R325-E364 VanDerWaalsContact CZ-OE1 3.23Å; R325-E364 IonicContact NE-OE1 2.91Å; R325-E364 PolarHBondContact NE-OE1 2.76Å; R325-E364 VanDerWaalsContact NH2-CD 3.33Å; R325-E364 IonicContact NH2-OE1 2.72Å; R325-E364 PolarHBondContact NH2-OE1 2.87Å; R325-E364 IonicContact NH2-OE2 3.15Å; R325-E364 PolarHBondContact NH2-OE2 3.12Å; R325-E364 VanDerWaalsContact NH2-OE2 3.15Å; R325-L368 HydrophobicContact CB-CD2 3.96Å; R325-L368 HydrophobicContact CG-CD2 3.69Å
326K81.1Confident76.5Confident51 Ų5173.9 Ų73.922%0.22236%0.364CS..Hα-helixtrans-64.9-46.7174.6-173.5-168.2161.9-68.50111.4M322 H323 K324 F328 L329 D330 L368 I372M322-K326 WeakPolarHBondContact O-CB 3.33Å; M322-K326 PolarHBondContact O-N 3.41Å; H323-K326 WeakPolarHBondContact O-CB 3.39Å; H323-K326 PolarHBondContact O-N 2.79Å; H323-K326 VanDerWaalsContact O-N 3.08Å; K324-K326 VanDerWaalsContact C-N 3.34Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.41Å; K326-L329 PolarHBondContact O-N 3.03Å; K326-L329 VanDerWaalsContact O-N 3.12Å; K326-D330 IonicContact NZ-OD1 3.1Å; K326-D330 IonicContact NZ-OD2 2.69Å; K326-D330 PolarHBondContact NZ-OD2 3.32Å; K326-D330 PolarHBondContact O-N 3Å; K326-L368 HydrophobicContact CB-CD2 3.9Å; K326-I372 HydrophobicContact CB-CD1 4.23Å; K326-I372 HydrophobicContact CD-CD1 4.17Å
327E78.9Confident77.1Confident126 Ų12673.3 Ų73.359%0.58936%0.362SS*.Hα-helixtrans-58.7-39.9176.4-69.7167.2161.100111.6H323 K324 D330 Y331H323-E327 WeakPolarHBondContact O-CG 3.25Å; H323-E327 PolarHBondContact O-N 2.84Å; K324-E327 PolarHBondContact O-N 3.32Å; E327-D330 PolarHBondContact O-N 2.97Å; E327-Y331 PolarHBondContact O-N 3.49Å
328F87.4Confident77.7Confident95 Ų9575.3 Ų75.342%0.41735%0.354SS..Hα-helixtrans-64-41.7173178.4-90.8000113.1K324 R325 K326 Y331 Q332K324-F328 WeakPolarHBondContact O-CB 3.37Å; K324-F328 PolarHBondContact O-N 2.92Å; R325-F328 PolarHBondContact O-N 3.17Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.41Å; F328-Y331 PolarHBondContact O-N 2.84Å; F328-Q332 HydrophobicContact CD1-CG 4.44Å; F328-Q332 VanDerWaalsContact CE1-CD 3.44Å; F328-Q332 HydrophobicContact CE1-CG 4.03Å; F328-Q332 HydrophobicContact CZ-CG 4.28Å; F328-Q332 PolarHBondContact O-N 2.85Å
329L83Confident78.2Confident0 Ų073.2 Ų73.20%034%0.344CS..Hα-helixtrans-70-35.7176.3-68165.3000112.4R325 K326 Q332 L333 V361 E364 R365 L368R325-L329 HydrophobicContact CG-CD1 4.18Å; R325-L329 VanDerWaalsContact O-CG 3.27Å; R325-L329 WeakPolarHBondContact O-CG 3.49Å; R325-L329 PolarHBondContact O-N 2.83Å; K326-L329 PolarHBondContact O-N 3.03Å; K326-L329 VanDerWaalsContact O-N 3.12Å; L329-Q332 PolarHBondContact O-N 3.34Å; L329-L333 PolarHBondContact O-N 3.5Å; L329-V361 HydrophobicContact CB-CG1 4.28Å; L329-V361 HydrophobicContact CD2-CG1 3.82Å; L329-E364 HydrophobicContact CD1-CB 4.39Å; L329-E364 HydrophobicContact CD1-CG 3.97Å; L329-E364 WeakPolarHBondContact CD1-OE1 3.33Å; L329-E364 HydrophobicContact CD2-CG 4.44Å; L329-R365 HydrophobicContact CB-CB 4.07Å; L329-R365 HydrophobicContact CB-CG 4.23Å; L329-R365 HydrophobicContact CD1-CB 4.32Å; L329-L368 HydrophobicContact CD1-CD2 3.82Å
330D70.3Confident78.6Confident39 Ų3978.9 Ų78.921%0.20937%0.365CS..Hα-helixtrans-61.3-44.3171.5-73.5-47.2000110.6K326 E327 L333 D334 R365K326-D330 IonicContact NZ-OD1 3.1Å; K326-D330 IonicContact NZ-OD2 2.69Å; K326-D330 PolarHBondContact NZ-OD2 3.32Å; K326-D330 PolarHBondContact O-N 3Å; E327-D330 PolarHBondContact O-N 2.97Å; D330-L333 PolarHBondContact O-N 3.15Å; D330-D334 PolarHBondContact O-N 2.87Å; D330-D334 VanDerWaalsContact O-N 3.1Å; D330-R365 IonicContact OD1-CZ 2.75Å; D330-R365 IonicContact OD1-NE 3.69Å; D330-R365 PolarHBondContact OD1-NE 2.8Å; D330-R365 IonicContact OD1-NH2 3.7Å; D330-R365 PolarHBondContact OD1-NH2 3.38Å
331Y79.8Confident78.7Confident160 Ų16077 Ų7763%0.62737%0.368SS*.Hα-helixtrans-63-41.9174.6176.1-99.2000113E327 F328 L333 D334 E335E327-Y331 PolarHBondContact O-N 3.49Å; F328-Y331 PolarHBondContact O-N 2.84Å; Y331-L333 VanDerWaalsContact C-N 3.32Å; Y331-L333 PolarHBondContact O-N 3.2Å; Y331-D334 PolarHBondContact O-N 2.89Å; Y331-E335 PolarHBondContact O-N 3.41Å
332Q85.8Confident78.6Confident70 Ų7080.6 Ų80.633%0.32738%0.378SS..Hα-helixtrans-64-36.1175-75.7-165.5-32.400112.6F328 L329 E335 L336 V361F328-Q332 HydrophobicContact CD1-CG 4.44Å; F328-Q332 VanDerWaalsContact CE1-CD 3.44Å; F328-Q332 HydrophobicContact CE1-CG 4.03Å; F328-Q332 HydrophobicContact CZ-CG 4.28Å; F328-Q332 PolarHBondContact O-N 2.85Å; L329-Q332 PolarHBondContact O-N 3.34Å; Q332-E335 PolarHBondContact O-N 3.07Å; Q332-L336 WeakPolarHBondContact O-CB 3.31Å; Q332-L336 VanDerWaalsContact O-CG 3.27Å; Q332-L336 WeakPolarHBondContact O-CG 3.31Å; Q332-L336 PolarHBondContact O-N 2.97Å; Q332-V361 HydrophobicContact CB-CG1 4.21Å
333L78.3Confident78.2Confident23 Ų2381.1 Ų81.112%0.1238%0.384CS..Hα-helixtrans-64.7-43.4175.2-86.5158.6000112.5L329 D330 Y331 S337 I358 V361 R365L329-L333 PolarHBondContact O-N 3.5Å; D330-L333 PolarHBondContact O-N 3.15Å; Y331-L333 VanDerWaalsContact C-N 3.32Å; Y331-L333 PolarHBondContact O-N 3.2Å; L333-S337 WeakPolarHBondContact O-CB 3.49Å; L333-S337 PolarHBondContact O-N 3.4Å; L333-S337 PolarHBondContact O-OG 3.41Å; L333-I358 HydrophobicContact CD2-CG2 4.11Å; L333-V361 HydrophobicContact CD1-CG1 4.15Å; L333-V361 HydrophobicContact CD2-CB 4.4Å; L333-V361 HydrophobicContact CD2-CG1 4.4Å; L333-V361 HydrophobicContact CG-CB 4.27Å; L333-V361 HydrophobicContact CG-CG1 3.74Å; L333-R365 HydrophobicContact CD1-CB 4.11Å; L333-R365 HydrophobicContact CD1-CG 4.03Å
334D70.1Confident77.2Confident125 Ų12589.5 Ų89.567%0.66841%0.413SS*.Hα-helixtrans-63.2-44.2175.9-9511.6000111.3D330 Y331 S337 R338D330-D334 PolarHBondContact O-N 2.87Å; D330-D334 VanDerWaalsContact O-N 3.1Å; Y331-D334 PolarHBondContact O-N 2.89Å; D334-S337 PolarHBondContact O-N 3.04Å; D334-R338 WeakPolarHBondContact O-CB 3.49Å; D334-R338 PolarHBondContact O-N 3.12Å
335E80.4Confident75.9Confident47 Ų4784.9 Ų84.922%0.2241%0.408CS..Hα-helixtrans-67.8-44.3-179.7-178.754.9-159.600112.7Y331 Q332 S337 R338 Q339Y331-E335 PolarHBondContact O-N 3.41Å; Q332-E335 PolarHBondContact O-N 3.07Å; E335-S337 VanDerWaalsContact C-N 3.31Å; E335-S337 PolarHBondContact O-N 2.92Å; E335-R338 WeakPolarHBondContact O-CB 3.15Å; E335-R338 PolarHBondContact O-N 3.15Å; E335-R338 IonicContact OE1-CZ 3.38Å; E335-R338 IonicContact OE1-NE 2.65Å; E335-R338 IonicContact OE1-NH2 2.85Å; E335-R338 PolarHBondContact OE1-NH2 3.23Å; E335-R338 IonicContact OE2-CZ 2.63Å; E335-R338 IonicContact OE2-NE 3.75Å; E335-R338 PolarHBondContact OE2-NE 3.39Å; E335-R338 IonicContact OE2-NH2 2.79Å; E335-R338 PolarHBondContact OE2-NH2 2.84Å; E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.49Å; E335-Q339 PolarHBondContact OE1-NE2 2.97Å
336L82.6Confident74.7Confident30 Ų3084.1 Ų84.116%0.15743%0.433CS..Hα-helixtrans-62.2-39.3173.8-71.7168.8000111.4Q332 R338 Q339 R340 L354 N357 I358 V361Q332-L336 WeakPolarHBondContact O-CB 3.31Å; Q332-L336 VanDerWaalsContact O-CG 3.27Å; Q332-L336 WeakPolarHBondContact O-CG 3.31Å; Q332-L336 PolarHBondContact O-N 2.97Å; L336-R338 VanDerWaalsContact C-N 3.35Å; L336-Q339 PolarHBondContact O-N 3.02Å; L336-R340 WeakPolarHBondContact O-CB 3.46Å; L336-R340 PolarHBondContact O-N 2.9Å; L336-L354 HydrophobicContact CD2-CD2 3.83Å; L336-N357 HydrophobicContact CD1-CB 4.26Å; L336-N357 HydrophobicContact CD2-CB 4.47Å; L336-I358 HydrophobicContact CB-CD1 4.18Å; L336-I358 HydrophobicContact CB-CG1 3.64Å; L336-I358 HydrophobicContact CD1-CG1 4.35Å; L336-V361 HydrophobicContact CD1-CG2 4.06Å
337S77.1Confident73.9Confident54 Ų5489.5 Ų89.538%0.37845%0.451SS..Hα-helixtrans-65.9-36.9175.8-61.20000112.2L333 D334 E335 A341L333-S337 WeakPolarHBondContact O-CB 3.49Å; L333-S337 PolarHBondContact O-N 3.4Å; L333-S337 PolarHBondContact O-OG 3.41Å; D334-S337 PolarHBondContact O-N 3.04Å; E335-S337 VanDerWaalsContact C-N 3.31Å; E335-S337 PolarHBondContact O-N 2.92Å; S337-A341 WeakPolarHBondContact O-CB 3.27Å; S337-A341 PolarHBondContact O-N 3.48Å
338R76Confident73.2Confident146 Ų14689.1 Ų89.155%0.55145%0.45SS*.Hα-helixtrans-65.1-45.2173.8-170.7174.872.7127.78.1111.3D334 E335 L336 A341 L342D334-R338 WeakPolarHBondContact O-CB 3.49Å; D334-R338 PolarHBondContact O-N 3.12Å; E335-R338 WeakPolarHBondContact O-CB 3.15Å; E335-R338 PolarHBondContact O-N 3.15Å; E335-R338 IonicContact OE1-CZ 3.38Å; E335-R338 IonicContact OE1-NE 2.65Å; E335-R338 IonicContact OE1-NH2 2.85Å; E335-R338 PolarHBondContact OE1-NH2 3.23Å; E335-R338 IonicContact OE2-CZ 2.63Å; E335-R338 IonicContact OE2-NE 3.75Å; E335-R338 PolarHBondContact OE2-NE 3.39Å; E335-R338 IonicContact OE2-NH2 2.79Å; E335-R338 PolarHBondContact OE2-NH2 2.84Å; L336-R338 VanDerWaalsContact C-N 3.35Å; R338-A341 PolarHBondContact O-N 3.18Å; R338-L342 HydrophobicContact CG-CD1 4.4Å; R338-L342 WeakPolarHBondContact O-CG 3.48Å; R338-L342 PolarHBondContact O-N 2.83Å; R338-L342 VanDerWaalsContact O-N 3.08Å
339Q79.8Confident72.3Confident79 Ų7991 Ų9137%0.36946%0.463SS..Hα-helixtrans-62.8-45.3176-69.2173.715.100111.5E335 L336 A341 L342 C343 L354E335-Q339 WeakPolarHBondContact O-CG 3.49Å; E335-Q339 PolarHBondContact O-N 3.49Å; E335-Q339 PolarHBondContact OE1-NE2 2.97Å; L336-Q339 PolarHBondContact O-N 3.02Å; Q339-A341 VanDerWaalsContact C-N 3.29Å; Q339-A341 PolarHBondContact O-N 3.02Å; Q339-L342 PolarHBondContact O-N 3.39Å; Q339-L342 VanDerWaalsContact O-N 3.08Å; Q339-C343 PolarHBondContact O-N 2.96Å; Q339-C343 VanDerWaalsContact O-N 3.08Å; Q339-C343 PolarHBondContact O-SG 3.04Å; Q339-C343 VanDerWaalsContact O-SG 3.39Å; Q339-L354 HydrophobicContact CB-CD1 4.49Å; Q339-L354 HydrophobicContact CB-CD2 4.28Å
340R76.9Confident71.7Confident120 Ų12094.5 Ų94.545%0.45348%0.479SS..Hα-helixtrans-54.9-42.4172.9-169.8-163.5-166.8-165.59112.5L336 L342 C343 D355 I358L336-R340 WeakPolarHBondContact O-CB 3.46Å; L336-R340 PolarHBondContact O-N 2.9Å; R340-L342 VanDerWaalsContact C-N 3.35Å; R340-C343 PolarHBondContact O-N 3.07Å; R340-D355 WeakPolarHBondContact CD-OD1 3.46Å; R340-D355 IonicContact CZ-OD1 2.7Å; R340-D355 IonicContact CZ-OD2 2.62Å; R340-D355 IonicContact NE-OD1 2.71Å; R340-D355 PolarHBondContact NE-OD1 2.92Å; R340-D355 IonicContact NE-OD2 2.74Å; R340-D355 IonicContact NH2-OD1 3.73Å; R340-D355 PolarHBondContact NH2-OD1 3.37Å; R340-D355 VanDerWaalsContact NH2-OD1 3.13Å; R340-D355 IonicContact NH2-OD2 3.61Å; R340-D355 PolarHBondContact NH2-OD2 3.27Å; R340-I358 HydrophobicContact CB-CD1 4.16Å; R340-I358 HydrophobicContact CG-CD1 4.42Å
341A72.3Confident71.7Confident68 Ų6897.1 Ų97.156%0.56249%0.486SS*.Hα-helixtrans-68.7-31.3178.100000113.3S337 R338 Q339S337-A341 WeakPolarHBondContact O-CB 3.27Å; S337-A341 PolarHBondContact O-N 3.48Å; R338-A341 PolarHBondContact O-N 3.18Å; Q339-A341 VanDerWaalsContact C-N 3.29Å; Q339-A341 PolarHBondContact O-N 3.02Å
342L74.1Confident71.5Confident132 Ų13294.9 Ų94.969%0.69148%0.481SS*.Hα-helixtrans-75.6-22.5175.2-69167.1000112.9R338 Q339 R340 R344R338-L342 HydrophobicContact CG-CD1 4.4Å; R338-L342 WeakPolarHBondContact O-CG 3.48Å; R338-L342 PolarHBondContact O-N 2.83Å; R338-L342 VanDerWaalsContact O-N 3.08Å; Q339-L342 PolarHBondContact O-N 3.39Å; Q339-L342 VanDerWaalsContact O-N 3.08Å; R340-L342 VanDerWaalsContact C-N 3.35Å; L342-R344 PolarHBondContact O-N 3.01Å
343C68.3Low71.2Confident29 Ų2997 Ų9720%0.19649%0.491CS..  trans-71.261.4174.3-69.80000113.4Q339 R340 G345 R351Q339-C343 PolarHBondContact O-N 2.96Å; Q339-C343 VanDerWaalsContact O-N 3.08Å; Q339-C343 PolarHBondContact O-SG 3.04Å; Q339-C343 VanDerWaalsContact O-SG 3.39Å; R340-C343 PolarHBondContact O-N 3.07Å; C343-G345 PolarHBondContact O-N 2.93Å; C343-R351 HydrophobicContact CB-CG 4.24Å; C343-R351 PolarHBondContact O-NE 2.62Å; C343-R351 PolarHBondContact O-NH2 3.38Å
344R53.7Low71.3Confident232 Ų23296.7 Ų96.788%0.87549%0.49SS*.  trans-93.380.1169.4-72.4-169.1175.2-140.70.1111.5L342L342-R344 PolarHBondContact O-N 3.01Å
345G55.3Low71.6Confident52 Ų5293.5 Ų93.554%0.53647%0.472SS..SBendtrans147.5127.6165.500000115C343 R347C343-G345 PolarHBondContact O-N 2.93Å; G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 2.87Å
346G56.7Low71.7Confident89 Ų8998.1 Ų98.192%0.91849%0.494SS*.SBendtrans67.7-9.3152.200000120.4
347R64.6Low71.7Confident163 Ų16399.7 Ų99.762%0.61550%0.503SS*.  trans-119.179.4-174.8-70.6-175.7-75.1178.8-3112.7G345 Q350 R351G345-R347 VanDerWaalsContact C-N 3.29Å; G345-R347 PolarHBondContact O-N 2.87Å; R347-Q350 HydrophobicContact CB-CB 4.01Å; R347-Q350 PolarHBondContact O-N 2.96Å; R347-R351 PolarHBondContact O-N 3.48Å
348E64.1Low71.7Confident118 Ų11898.3 Ų98.355%0.55149%0.491SS*.Hα-helixtrans-62.4-45.8-178.4-147.761.8-159.100112.3Q350 R351 Q352E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.44Å; E348-R351 WeakPolarHBondContact O-CB 3.29Å; E348-R351 PolarHBondContact O-N 3.01Å; E348-R351 VanDerWaalsContact O-N 3.08Å; E348-Q352 PolarHBondContact O-N 3.26Å
349I69.4Low71.7Confident136 Ų13695.2 Ų95.270%0.69749%0.492SS*.Hα-helixtrans-57.3-44.6178.2-59.2171.5000111R351 Q352 E353I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.21Å; I349-Q352 PolarHBondContact O-N 3.06Å; I349-E353 PolarHBondContact O-N 3.41Å
350Q71.3Confident71.9Confident73 Ų7398.5 Ų98.534%0.34151%0.505SS..Hα-helixtrans-70.4-24-179.3-166.4167.437.100112.8R347 E348 L354R347-Q350 HydrophobicContact CB-CB 4.01Å; R347-Q350 PolarHBondContact O-N 2.96Å; E348-Q350 VanDerWaalsContact C-N 3.32Å; E348-Q350 PolarHBondContact O-N 3.44Å; Q350-L354 WeakPolarHBondContact O-CD1 3.23Å; Q350-L354 WeakPolarHBondContact O-CG 3.39Å; Q350-L354 PolarHBondContact O-N 3.14Å
351R70.1Confident72.2Confident93 Ų9393.4 Ų93.435%0.35149%0.487SS..Hα-helixtrans-74.3-42.9168.7-75.9177.5166.9-174.1-5.8111.8C343 R347 E348 I349 E353 L354 D355C343-R351 HydrophobicContact CB-CG 4.24Å; C343-R351 PolarHBondContact O-NE 2.62Å; C343-R351 PolarHBondContact O-NH2 3.38Å; R347-R351 PolarHBondContact O-N 3.48Å; E348-R351 WeakPolarHBondContact O-CB 3.29Å; E348-R351 PolarHBondContact O-N 3.01Å; E348-R351 VanDerWaalsContact O-N 3.08Å; I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.21Å; R351-E353 VanDerWaalsContact C-N 3.33Å; R351-E353 PolarHBondContact O-N 2.86Å; R351-L354 PolarHBondContact O-N 2.87Å; R351-D355 WeakPolarHBondContact O-CB 3.47Å; R351-D355 VanDerWaalsContact O-CG 3.25Å; R351-D355 PolarHBondContact O-N 3.29Å
352Q74.7Confident72.2Confident113 Ų11392.4 Ų92.453%0.52848%0.476SS..Hα-helixtrans-59.9-44.8176.7-70.5173.2-21.700110.9E348 I349 L354 D355 E356E348-Q352 PolarHBondContact O-N 3.26Å; I349-Q352 PolarHBondContact O-N 3.06Å; Q352-L354 PolarHBondContact O-N 3.29Å; Q352-D355 PolarHBondContact O-N 3.25Å; Q352-E356 WeakPolarHBondContact O-CG 3.32Å; Q352-E356 PolarHBondContact O-N 2.86Å
353E80.4Confident72.5Confident114 Ų11492.6 Ų92.653%0.53347%0.471SS..Hα-helixtrans-60.2-42.2174.6-174.8178.2-153.300112.8I349 R351 N357I349-E353 PolarHBondContact O-N 3.41Å; R351-E353 VanDerWaalsContact C-N 3.33Å; R351-E353 PolarHBondContact O-N 2.86Å; E353-N357 WeakPolarHBondContact O-CB 3.42Å; E353-N357 PolarHBondContact O-N 2.93Å; E353-N357 VanDerWaalsContact O-N 3.11Å; E353-N357 PolarHBondContact O-ND2 3.38Å
354L80Confident73.3Confident17 Ų1795 Ų959%0.08948%0.479CS..Hα-helixtrans-66-40174-78.2168.4000112.2L336 Q339 Q350 R351 Q352 N357 I358L336-L354 HydrophobicContact CD2-CD2 3.83Å; Q339-L354 HydrophobicContact CB-CD1 4.49Å; Q339-L354 HydrophobicContact CB-CD2 4.28Å; Q350-L354 WeakPolarHBondContact O-CD1 3.23Å; Q350-L354 WeakPolarHBondContact O-CG 3.39Å; Q350-L354 PolarHBondContact O-N 3.14Å; R351-L354 PolarHBondContact O-N 2.87Å; Q352-L354 PolarHBondContact O-N 3.29Å; L354-N357 PolarHBondContact O-N 2.94Å; L354-I358 WeakPolarHBondContact O-CB 3.44Å; L354-I358 VanDerWaalsContact O-CG1 3.24Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.27Å
355D76.9Confident74.7Confident58 Ų5888.2 Ų88.231%0.3145%0.454SS..Hα-helixtrans-68.5-39.7-179.4-75.210.5000112.1R340 R351 Q352 I358 S359R340-D355 WeakPolarHBondContact CD-OD1 3.46Å; R340-D355 IonicContact CZ-OD1 2.7Å; R340-D355 IonicContact CZ-OD2 2.62Å; R340-D355 IonicContact NE-OD1 2.71Å; R340-D355 PolarHBondContact NE-OD1 2.92Å; R340-D355 IonicContact NE-OD2 2.74Å; R340-D355 IonicContact NH2-OD1 3.73Å; R340-D355 PolarHBondContact NH2-OD1 3.37Å; R340-D355 VanDerWaalsContact NH2-OD1 3.13Å; R340-D355 IonicContact NH2-OD2 3.61Å; R340-D355 PolarHBondContact NH2-OD2 3.27Å; R351-D355 WeakPolarHBondContact O-CB 3.47Å; R351-D355 VanDerWaalsContact O-CG 3.25Å; R351-D355 PolarHBondContact O-N 3.29Å; Q352-D355 PolarHBondContact O-N 3.25Å; D355-I358 PolarHBondContact O-N 2.83Å; D355-S359 WeakPolarHBondContact O-CB 3.41Å; D355-S359 PolarHBondContact O-N 3.11Å
356E81.5Confident75.6Confident144 Ų14491.8 Ų91.867%0.67346%0.457SS*.Hα-helixtrans-64-43.3172-74.7-172.7179.900111.8Q352 S359 K360Q352-E356 WeakPolarHBondContact O-CG 3.32Å; Q352-E356 PolarHBondContact O-N 2.86Å; E356-S359 WeakPolarHBondContact O-CB 3.41Å; E356-S359 PolarHBondContact O-N 2.86Å; E356-K360 WeakPolarHBondContact O-CB 3.45Å; E356-K360 PolarHBondContact O-N 2.87Å
357N81.8Confident76.8Confident63 Ų6391.8 Ų91.834%0.33743%0.433SS..Hα-helixtrans-65.2-41.9176.2-80.9-65.3000112.1L336 E353 L354 S359 K360 V361L336-N357 HydrophobicContact CD1-CB 4.26Å; L336-N357 HydrophobicContact CD2-CB 4.47Å; E353-N357 WeakPolarHBondContact O-CB 3.42Å; E353-N357 PolarHBondContact O-N 2.93Å; E353-N357 VanDerWaalsContact O-N 3.11Å; E353-N357 PolarHBondContact O-ND2 3.38Å; L354-N357 PolarHBondContact O-N 2.94Å; N357-S359 VanDerWaalsContact C-N 3.34Å; N357-S359 PolarHBondContact O-N 3.22Å; N357-K360 PolarHBondContact O-N 3.27Å; N357-V361 WeakPolarHBondContact O-CG2 3.41Å; N357-V361 PolarHBondContact O-N 2.81Å
358I77.8Confident77.5Confident26 Ų2685.1 Ų85.113%0.13341%0.409CS..Hα-helixtrans-60.1-44.7172.9-72.5165.5000110.6L333 L336 R340 L354 D355 K360 S362L333-I358 HydrophobicContact CD2-CG2 4.11Å; L336-I358 HydrophobicContact CB-CD1 4.18Å; L336-I358 HydrophobicContact CB-CG1 3.64Å; L336-I358 HydrophobicContact CD1-CG1 4.35Å; R340-I358 HydrophobicContact CB-CD1 4.16Å; R340-I358 HydrophobicContact CG-CD1 4.42Å; L354-I358 WeakPolarHBondContact O-CB 3.44Å; L354-I358 VanDerWaalsContact O-CG1 3.24Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.27Å; D355-I358 PolarHBondContact O-N 2.83Å; I358-K360 PolarHBondContact O-N 2.91Å; I358-S362 WeakPolarHBondContact O-CB 3.07Å; I358-S362 PolarHBondContact O-N 3.24Å
359S76.9Confident77.9Confident81 Ų8181.1 Ų81.157%0.56640%0.396SS*.Hα-helixtrans-59.2-46.2176.5-1740000111.9D355 E356 N357 S362 K363D355-S359 WeakPolarHBondContact O-CB 3.41Å; D355-S359 PolarHBondContact O-N 3.11Å; E356-S359 WeakPolarHBondContact O-CB 3.41Å; E356-S359 PolarHBondContact O-N 2.86Å; N357-S359 VanDerWaalsContact C-N 3.34Å; N357-S359 PolarHBondContact O-N 3.22Å; S359-S362 PolarHBondContact O-N 2.92Å; S359-K363 WeakPolarHBondContact O-CB 3.21Å; S359-K363 PolarHBondContact O-N 2.89Å
360K84.1Confident78Confident147 Ų14777.4 Ų77.464%0.63938%0.382SS*.Hα-helixtrans-63.3-49.9178.9-174.8178.8179.4-178.90112.8E356 N357 I358 K363 E364E356-K360 WeakPolarHBondContact O-CB 3.45Å; E356-K360 PolarHBondContact O-N 2.87Å; N357-K360 PolarHBondContact O-N 3.27Å; I358-K360 PolarHBondContact O-N 2.91Å; K360-K363 PolarHBondContact O-N 3.35Å; K360-E364 PolarHBondContact O-N 2.87Å
361V81.4Confident78.1Confident13 Ų1379 Ų798%0.07939%0.388CS..Hα-helixtrans-67.4-38.9179-179.10000110.7L329 Q332 L333 L336 N357 K363 E364 R365L329-V361 HydrophobicContact CB-CG1 4.28Å; L329-V361 HydrophobicContact CD2-CG1 3.82Å; Q332-V361 HydrophobicContact CB-CG1 4.21Å; L333-V361 HydrophobicContact CD1-CG1 4.15Å; L333-V361 HydrophobicContact CD2-CB 4.4Å; L333-V361 HydrophobicContact CD2-CG1 4.4Å; L333-V361 HydrophobicContact CG-CB 4.27Å; L333-V361 HydrophobicContact CG-CG1 3.74Å; L336-V361 HydrophobicContact CD1-CG2 4.06Å; N357-V361 WeakPolarHBondContact O-CG2 3.41Å; N357-V361 PolarHBondContact O-N 2.81Å; V361-K363 VanDerWaalsContact C-N 3.35Å; V361-K363 PolarHBondContact O-N 3.36Å; V361-E364 PolarHBondContact O-N 3.41Å; V361-R365 WeakPolarHBondContact O-CB 3.09Å; V361-R365 PolarHBondContact O-N 3.19Å
362S73.1Confident78.1Confident48 Ų4875 Ų7534%0.33637%0.374SS..Hα-helixtrans-59.1-43.7173.5-174.20000112I358 S359 R365 Q366I358-S362 WeakPolarHBondContact O-CB 3.07Å; I358-S362 PolarHBondContact O-N 3.24Å; S359-S362 PolarHBondContact O-N 2.92Å; S362-R365 PolarHBondContact O-N 3.04Å; S362-Q366 WeakPolarHBondContact O-CB 3.42Å; S362-Q366 PolarHBondContact O-N 2.65Å
363K81.4Confident77.7Confident136 Ų13677.4 Ų77.459%0.59138%0.382SS*.Hα-helixtrans-63.4-50.2175.8-173.6178.2174.7-176.30112.2S359 K360 V361 R365 Q366 E367S359-K363 WeakPolarHBondContact O-CB 3.21Å; S359-K363 PolarHBondContact O-N 2.89Å; K360-K363 PolarHBondContact O-N 3.35Å; V361-K363 VanDerWaalsContact C-N 3.35Å; V361-K363 PolarHBondContact O-N 3.36Å; K363-R365 VanDerWaalsContact C-N 3.29Å; K363-R365 PolarHBondContact O-N 3.08Å; K363-Q366 PolarHBondContact O-N 2.84Å; K363-Q366 VanDerWaalsContact O-N 3.16Å; K363-E367 WeakPolarHBondContact CE-OE1 3.28Å; K363-E367 PolarHBondContact O-N 3.26Å
364E83.3Confident77.1Confident78 Ų7878.9 Ų78.936%0.36439%0.389SS..Hα-helixtrans-57.1-45.3176.6-169-169.9146.300110.9R325 L329 K360 V361 Q366 E367 L368R325-E364 IonicContact CZ-OE1 3.23Å; R325-E364 VanDerWaalsContact CZ-OE1 3.23Å; R325-E364 IonicContact NE-OE1 2.91Å; R325-E364 PolarHBondContact NE-OE1 2.76Å; R325-E364 VanDerWaalsContact NH2-CD 3.33Å; R325-E364 IonicContact NH2-OE1 2.72Å; R325-E364 PolarHBondContact NH2-OE1 2.87Å; R325-E364 IonicContact NH2-OE2 3.15Å; R325-E364 PolarHBondContact NH2-OE2 3.12Å; R325-E364 VanDerWaalsContact NH2-OE2 3.15Å; L329-E364 HydrophobicContact CD1-CB 4.39Å; L329-E364 HydrophobicContact CD1-CG 3.97Å; L329-E364 WeakPolarHBondContact CD1-OE1 3.33Å; L329-E364 HydrophobicContact CD2-CG 4.44Å; K360-E364 PolarHBondContact O-N 2.87Å; V361-E364 PolarHBondContact O-N 3.41Å; E364-Q366 VanDerWaalsContact C-N 3.34Å; E364-Q366 PolarHBondContact O-N 2.9Å; E364-E367 PolarHBondContact O-N 3.49Å; E364-L368 VanDerWaalsContact O-CB 3.26Å; E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 PolarHBondContact O-N 2.94Å
365R84.6Confident76.4Confident91 Ų9182 Ų8234%0.34341%0.409SS..Hα-helixtrans-62-37.9178-175.5-86.8-166.11669.8112.5L329 D330 L333 V361 S362 K363 A369L329-R365 HydrophobicContact CB-CB 4.07Å; L329-R365 HydrophobicContact CB-CG 4.23Å; L329-R365 HydrophobicContact CD1-CB 4.32Å; D330-R365 IonicContact OD1-CZ 2.75Å; D330-R365 IonicContact OD1-NE 3.69Å; D330-R365 PolarHBondContact OD1-NE 2.8Å; D330-R365 IonicContact OD1-NH2 3.7Å; D330-R365 PolarHBondContact OD1-NH2 3.38Å; L333-R365 HydrophobicContact CD1-CB 4.11Å; L333-R365 HydrophobicContact CD1-CG 4.03Å; V361-R365 WeakPolarHBondContact O-CB 3.09Å; V361-R365 PolarHBondContact O-N 3.19Å; S362-R365 PolarHBondContact O-N 3.04Å; K363-R365 VanDerWaalsContact C-N 3.29Å; K363-R365 PolarHBondContact O-N 3.08Å; R365-A369 VanDerWaalsContact O-CB 3.25Å; R365-A369 WeakPolarHBondContact O-CB 3.45Å; R365-A369 PolarHBondContact O-N 3.36Å
366Q73.5Confident75.6Confident127 Ų12782.5 Ų82.559%0.59341%0.409SS*.Hα-helixtrans-76.6-37.3178.6-176.3160.6-31.400112.7S362 K363 E364 S370S362-Q366 WeakPolarHBondContact O-CB 3.42Å; S362-Q366 PolarHBondContact O-N 2.65Å; K363-Q366 PolarHBondContact O-N 2.84Å; K363-Q366 VanDerWaalsContact O-N 3.16Å; E364-Q366 VanDerWaalsContact C-N 3.34Å; E364-Q366 PolarHBondContact O-N 2.9Å; Q366-S370 WeakPolarHBondContact O-CB 3.18Å; Q366-S370 PolarHBondContact O-N 3.3Å; Q366-S370 PolarHBondContact O-OG 3.18Å
367E81.8Confident74.6Confident89 Ų8977.2 Ų77.242%0.41639%0.394SS..Hα-helixtrans-63.5-44.5170.8-72.8-178.4-155.200111.5K363 E364 S370 K371K363-E367 WeakPolarHBondContact CE-OE1 3.28Å; K363-E367 PolarHBondContact O-N 3.26Å; E364-E367 PolarHBondContact O-N 3.49Å; E367-S370 WeakPolarHBondContact O-CB 3.01Å; E367-S370 PolarHBondContact O-N 3.17Å; E367-K371 WeakPolarHBondContact O-CG 3.06Å; E367-K371 PolarHBondContact O-N 2.62Å
368L79.7Confident73.9Confident23 Ų2383 Ų8312%0.1241%0.41CS..Hα-helixtrans-64.9-42.9177.2-172.663.8000112M322 R325 K326 L329 E364 S370 K371 I372M322-L368 HydrophobicContact CB-CD1 3.97Å; M322-L368 HydrophobicContact CG-CD1 3.83Å; M322-L368 HydrophobicContact SD-CD1 3.81Å; R325-L368 HydrophobicContact CB-CD2 3.96Å; R325-L368 HydrophobicContact CG-CD2 3.69Å; K326-L368 HydrophobicContact CB-CD2 3.9Å; L329-L368 HydrophobicContact CD1-CD2 3.82Å; E364-L368 VanDerWaalsContact O-CB 3.26Å; E364-L368 WeakPolarHBondContact O-CB 3.46Å; E364-L368 PolarHBondContact O-N 2.94Å; L368-S370 PolarHBondContact O-N 2.95Å; L368-K371 PolarHBondContact O-N 3.36Å; L368-I372 HydrophobicContact CG-CD1 4.16Å; L368-I372 VanDerWaalsContact O-CG1 3.27Å; L368-I372 WeakPolarHBondContact O-CG1 3.44Å; L368-I372 PolarHBondContact O-N 3.31Å
369A71.9Confident73.6Confident34 Ų3484.7 Ų84.728%0.28142%0.423SS..Hα-helixtrans-62.4-32173.900000112.6R365 K373R365-A369 VanDerWaalsContact O-CB 3.25Å; R365-A369 WeakPolarHBondContact O-CB 3.45Å; R365-A369 PolarHBondContact O-N 3.36Å; A369-K373 VanDerWaalsContact O-CB 3.31Å; A369-K373 WeakPolarHBondContact O-CB 3.43Å; A369-K373 PolarHBondContact O-N 3.17Å
370S71.6Confident73.5Confident58 Ų5886.1 Ų86.141%0.40642%0.421SS..Hα-helixtrans-70.1-48.6174.6-56.70000111.2Q366 E367 L368 I372 K373 E374Q366-S370 WeakPolarHBondContact O-CB 3.18Å; Q366-S370 PolarHBondContact O-N 3.3Å; Q366-S370 PolarHBondContact O-OG 3.18Å; E367-S370 WeakPolarHBondContact O-CB 3.01Å; E367-S370 PolarHBondContact O-N 3.17Å; L368-S370 PolarHBondContact O-N 2.95Å; S370-I372 PolarHBondContact O-N 3.02Å; S370-K373 CarbonylContact O-C 3.58Å; S370-K373 WeakPolarHBondContact O-CB 3.23Å; S370-K373 PolarHBondContact O-N 3.31Å; S370-E374 PolarHBondContact O-N 3.37Å
371K73.3Confident73.4Confident107 Ų10786 Ų8647%0.46542%0.421SS..Hα-helixtrans-59.1-43.1175.7-71.7167.3-179.5165.20112.4M322 E367 L368 K373 E374 V375M322-K371 HydrophobicContact SD-CB 4.44Å; E367-K371 WeakPolarHBondContact O-CG 3.06Å; E367-K371 PolarHBondContact O-N 2.62Å; L368-K371 PolarHBondContact O-N 3.36Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K371-K373 PolarHBondContact O-N 2.96Å; K371-E374 PolarHBondContact O-N 3.49Å; K371-V375 WeakPolarHBondContact O-CG2 3.31Å; K371-V375 PolarHBondContact O-N 2.94Å
372I70.1Confident73.6Confident8 Ų885.9 Ų85.94%0.04142%0.42CS..Hα-helixtrans-58.2-43.4173.7-70.1166.1000111M322 K326 L368 S370 E374 V375 Q376M322-I372 HydrophobicContact CB-CD1 4Å; M322-I372 HydrophobicContact CB-CG1 3.8Å; M322-I372 HydrophobicContact CE-CG1 4.27Å; M322-I372 HydrophobicContact SD-CG1 4.25Å; K326-I372 HydrophobicContact CB-CD1 4.23Å; K326-I372 HydrophobicContact CD-CD1 4.17Å; L368-I372 HydrophobicContact CG-CD1 4.16Å; L368-I372 VanDerWaalsContact O-CG1 3.27Å; L368-I372 WeakPolarHBondContact O-CG1 3.44Å; L368-I372 PolarHBondContact O-N 3.31Å; S370-I372 PolarHBondContact O-N 3.02Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 2.88Å; I372-V375 PolarHBondContact O-N 2.84Å; I372-Q376 HydrophobicContact CG2-CG 4.28Å; I372-Q376 WeakPolarHBondContact O-CB 3.25Å; I372-Q376 WeakPolarHBondContact O-CG 3.48Å; I372-Q376 PolarHBondContact O-N 3.35Å
373K65.8Low74.3Confident163 Ų16385.4 Ų85.471%0.70941%0.412SS*.Hα-helixtrans-71.8-24.7-178.8-172.8179.7-179.3-177.30113.6A369 S370 K371A369-K373 VanDerWaalsContact O-CB 3.31Å; A369-K373 WeakPolarHBondContact O-CB 3.43Å; A369-K373 PolarHBondContact O-N 3.17Å; S370-K373 CarbonylContact O-C 3.58Å; S370-K373 WeakPolarHBondContact O-CB 3.23Å; S370-K373 PolarHBondContact O-N 3.31Å; K371-K373 VanDerWaalsContact C-N 3.3Å; K371-K373 PolarHBondContact O-N 2.96Å
374E68.8Low74.6Confident145 Ų14580.5 Ų80.568%0.67840%0.395SS*.Hα-helixtrans-76.8-49.2170.5-70.6175.7151.400111.1S370 K371 I372 G377S370-E374 PolarHBondContact O-N 3.37Å; K371-E374 PolarHBondContact O-N 3.49Å; I372-E374 VanDerWaalsContact C-N 3.34Å; I372-E374 PolarHBondContact O-N 2.88Å; E374-G377 WeakPolarHBondContact O-CA 3.37Å; E374-G377 PolarHBondContact O-N 3.41Å
375V64.4Low74.9Confident83 Ų8380.1 Ų80.150%0.50340%0.395SS..Hα-helixtrans-71.1-34.6-175.81790000112.9V319 M322 K371 I372 G377V319-V375 HydrophobicContact CG2-CB 4.41Å; V319-V375 HydrophobicContact CG2-CG1 3.51Å; M322-V375 HydrophobicContact CE-CG2 4.42Å; K371-V375 WeakPolarHBondContact O-CG2 3.31Å; K371-V375 PolarHBondContact O-N 2.94Å; I372-V375 PolarHBondContact O-N 2.84Å; V375-G377 PolarHBondContact O-N 3.14Å
376Q61Low75.2Confident69 Ų6976.2 Ų76.232%0.32238%0.381SS..THydrogen-bonded Turntrans-69.8-9.2170.4-71.9-173.6-40.200113.2L315 V319 H323 I372L315-Q376 HydrophobicContact CD1-CG 3.97Å; V319-Q376 HydrophobicContact CG1-CG 4.39Å; H323-Q376 PolarHBondContact NE2-NE2 2.88Å; H323-Q376 VanDerWaalsContact NE2-NE2 3.19Å; I372-Q376 HydrophobicContact CG2-CG 4.28Å; I372-Q376 WeakPolarHBondContact O-CB 3.25Å; I372-Q376 WeakPolarHBondContact O-CG 3.48Å; I372-Q376 PolarHBondContact O-N 3.35Å
377G60.5Low76.1Confident33 Ų3370.2 Ų70.234%0.3435%0.352SS..  trans67.7-170.1-17700000113.7E374 V375E374-G377 WeakPolarHBondContact O-CA 3.37Å; E374-G377 PolarHBondContact O-N 3.41Å; V375-G377 PolarHBondContact O-N 3.14Å
378R66.1Low76.4Confident183 Ų18367.4 Ų67.469%0.69134%0.34SS*.  trans-95.4123.7178.1-66.5-173.5-173.1175.73109.2Q380 K381R378-Q380 PolarHBondContact O-N 2.89Å; R378-K381 HydrophobicContact CB-CG 4.41Å; R378-K381 WeakPolarHBondContact O-CB 3.44Å; R378-K381 PolarHBondContact O-N 3.19Å
379P72Confident76.9Confident63 Ų6369.6 Ų69.641%0.40935%0.35SS..Hα-helixtrans-59.4-24.8-178.123.2-33.5000112.8V307 K381 T382 Q383V307-P379 HydrophobicContact CG1-CB 4.27Å; P379-K381 VanDerWaalsContact C-N 3.27Å; P379-K381 PolarHBondContact O-N 3.04Å; P379-T382 PolarHBondContact O-N 3.22Å; P379-Q383 WeakPolarHBondContact O-CB 3.46Å; P379-Q383 WeakPolarHBondContact O-CG 3.31Å; P379-Q383 PolarHBondContact O-N 2.74Å
380Q75.6Confident77.9Confident111 Ų11168 Ų6852%0.51934%0.336SS..Hα-helixtrans-62.1-29.6173.1-59.982.42.700113.2R378 S384R378-Q380 PolarHBondContact O-N 2.89Å; Q380-S384 PolarHBondContact O-N 2.62Å; Q380-S384 VanDerWaalsContact O-N 3.17Å; Q380-S384 PolarHBondContact O-OG 2.98Å; Q380-S384 VanDerWaalsContact O-OG 3.13Å
381K81.3Confident79Confident145 Ų14567.1 Ų67.163%0.6333%0.326SS*.Hα-helixtrans-66.8-49.7172.2-69.5-176.2174.6-175.50109.9R378 P379 Q383 S384 I385R378-K381 HydrophobicContact CB-CG 4.41Å; R378-K381 WeakPolarHBondContact O-CB 3.44Å; R378-K381 PolarHBondContact O-N 3.19Å; P379-K381 VanDerWaalsContact C-N 3.27Å; P379-K381 PolarHBondContact O-N 3.04Å; K381-Q383 PolarHBondContact O-N 3.35Å; K381-S384 PolarHBondContact O-N 3.16Å; K381-I385 VanDerWaalsContact O-CG1 3.31Å; K381-I385 WeakPolarHBondContact O-CG1 3.23Å; K381-I385 PolarHBondContact O-N 2.9Å
382T85Confident80.1Confident9 Ų962 Ų626%0.05530%0.304CS..Hα-helixtrans-63.4-40.5-179.7-40.50000111.9V307 R310 M311 P379 I385 I386V307-T382 HydrophobicContact CG1-CG2 4.27Å; V307-T382 HydrophobicContact CG2-CG2 4.45Å; R310-T382 HydrophobicContact CB-CG2 4.25Å; R310-T382 HydrophobicContact CG-CG2 4.18Å; M311-T382 HydrophobicContact CE-CG2 3.91Å; M311-T382 WeakPolarHBondContact CE-OG1 3.31Å; M311-T382 HydrophobicContact CG-CG2 4.17Å; M311-T382 HydrophobicContact SD-CG2 4Å; M311-T382 PolarHBondContact SD-OG1 2.69Å; P379-T382 PolarHBondContact O-N 3.22Å; T382-I385 PolarHBondContact O-N 3.03Å; T382-I386 HydrophobicContact CG2-CD1 4.11Å; T382-I386 WeakPolarHBondContact O-CG1 3.49Å; T382-I386 PolarHBondContact O-N 3.17Å
383Q88.6Confident81.4Confident39 Ų3961.7 Ų61.718%0.18230%0.302CS..Hα-helixtrans-55.9-52.4171.3-78.4175.9-2700111.3L303 D304 V307 P379 K381 I385 I386 I387 L404L303-Q383 HydrophobicContact CD2-CB 3.96Å; L303-Q383 HydrophobicContact CD2-CG 3.81Å; L303-Q383 HydrophobicContact CG-CG 4.12Å; D304-Q383 PolarHBondContact OD1-NE2 3.12Å; V307-Q383 HydrophobicContact CG2-CB 4.37Å; V307-Q383 HydrophobicContact CG2-CG 3.56Å; P379-Q383 WeakPolarHBondContact O-CB 3.46Å; P379-Q383 WeakPolarHBondContact O-CG 3.31Å; P379-Q383 PolarHBondContact O-N 2.74Å; K381-Q383 PolarHBondContact O-N 3.35Å; Q383-I385 PolarHBondContact O-N 3.34Å; Q383-I386 PolarHBondContact O-N 3.07Å; Q383-I387 VanDerWaalsContact O-CG1 3.3Å; Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.02Å; Q383-L404 HydrophobicContact CB-CD1 4.3Å
384S88.8Confident82.9Confident32 Ų3254 Ų5422%0.22427%0.269CS..Hα-helixtrans-61.5-41.8177.5-66.20000112.6Q380 K381 I387 L388Q380-S384 PolarHBondContact O-N 2.62Å; Q380-S384 VanDerWaalsContact O-N 3.17Å; Q380-S384 PolarHBondContact O-OG 2.98Å; Q380-S384 VanDerWaalsContact O-OG 3.13Å; K381-S384 PolarHBondContact O-N 3.16Å; S384-I387 PolarHBondContact O-N 2.98Å; S384-L388 WeakPolarHBondContact O-CB 3.38Å; S384-L388 WeakPolarHBondContact O-CG 3.46Å; S384-L388 PolarHBondContact O-N 3.41Å
385I88Confident84.3Confident71 Ų7147 Ų4736%0.36424%0.236SC..Hα-helixtrans-60.1-48.2177.3-70164.2000110.9K381 T382 Q383 I387 L388 E389K381-I385 VanDerWaalsContact O-CG1 3.31Å; K381-I385 WeakPolarHBondContact O-CG1 3.23Å; K381-I385 PolarHBondContact O-N 2.9Å; T382-I385 PolarHBondContact O-N 3.03Å; Q383-I385 PolarHBondContact O-N 3.34Å; I385-I387 VanDerWaalsContact C-N 3.33Å; I385-I387 PolarHBondContact O-N 2.8Å; I385-L388 PolarHBondContact O-N 3.32Å; I385-L388 VanDerWaalsContact O-N 3.14Å; I385-E389 HydrophobicContact CG2-CG 4.3Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.46Å; I385-E389 WeakPolarHBondContact O-CB 3.19Å; I385-E389 WeakPolarHBondContact O-CG 3.27Å; I385-E389 PolarHBondContact O-N 2.85Å
386I91.3Very high85.9Confident9 Ų943.7 Ų43.75%0.04622%0.216CC..Hα-helixtrans-64.4-37.5179-67.7162.4000111.5V286 L303 Q306 V307 T382 Q383 S390V286-I386 HydrophobicContact CG2-CG2 3.88Å; L303-I386 HydrophobicContact CD1-CB 3.79Å; L303-I386 HydrophobicContact CD1-CD1 4.43Å; L303-I386 HydrophobicContact CD1-CG2 3.54Å; Q306-I386 HydrophobicContact CB-CD1 4.15Å; Q306-I386 HydrophobicContact CB-CG2 4.46Å; V307-I386 HydrophobicContact CB-CD1 4.43Å; V307-I386 HydrophobicContact CG2-CD1 3.71Å; T382-I386 HydrophobicContact CG2-CD1 4.11Å; T382-I386 WeakPolarHBondContact O-CG1 3.49Å; T382-I386 PolarHBondContact O-N 3.17Å; Q383-I386 PolarHBondContact O-N 3.07Å; I386-S390 PolarHBondContact O-N 3Å; I386-S390 VanDerWaalsContact O-N 3.17Å
387I91.8Very high87.6Confident0 Ų040.4 Ų40.40%020%0.201CC..Hα-helixtrans-63.1-41.8173.4-70.8165000110.9R244 L303 Q383 S384 I385 S390 I393 L404 L405 A408 F409R244-I387 PolarHBondContact NE-O 2.86Å; L303-I387 HydrophobicContact CD1-CG1 4.35Å; L303-I387 HydrophobicContact CD2-CD1 3.9Å; L303-I387 HydrophobicContact CD2-CG1 4.22Å; Q383-I387 VanDerWaalsContact O-CG1 3.3Å; Q383-I387 WeakPolarHBondContact O-CG1 3.45Å; Q383-I387 PolarHBondContact O-N 3.02Å; S384-I387 PolarHBondContact O-N 2.98Å; I385-I387 VanDerWaalsContact C-N 3.33Å; I385-I387 PolarHBondContact O-N 2.8Å; I387-S390 WeakPolarHBondContact O-CB 3.48Å; I387-S390 PolarHBondContact O-N 2.94Å; I387-S390 PolarHBondContact O-OG 3.32Å; I387-I393 HydrophobicContact CG2-CD1 3.95Å; I387-L404 HydrophobicContact CD1-CD1 3.84Å; I387-L404 HydrophobicContact CD1-CD2 4.49Å; I387-L404 HydrophobicContact CD1-CG 3.84Å; I387-L405 HydrophobicContact CG2-CD2 4.07Å; I387-A408 HydrophobicContact CB-CB 4.11Å; I387-A408 HydrophobicContact CD1-CB 3.96Å; I387-A408 HydrophobicContact CG2-CB 3.66Å; I387-F409 HydrophobicContact CG2-CE1 3.98Å; I387-F409 HydrophobicContact CG2-CE2 4.24Å; I387-F409 HydrophobicContact CG2-CZ 3.6Å
388L89.4Confident89.2Confident31 Ų3139.4 Ų39.416%0.16219%0.188CC..Hα-helixtrans-70-40.1178.9-69171.2000112.8R244 S384 I385 S390 F409 Q412R244-L388 PolarHBondContact NH2-O 3.15Å; S384-L388 WeakPolarHBondContact O-CB 3.38Å; S384-L388 WeakPolarHBondContact O-CG 3.46Å; S384-L388 PolarHBondContact O-N 3.41Å; I385-L388 PolarHBondContact O-N 3.32Å; I385-L388 VanDerWaalsContact O-N 3.14Å; L388-S390 PolarHBondContact O-N 2.86Å; L388-F409 HydrophobicContact CD2-CD1 3.99Å; L388-F409 HydrophobicContact CD2-CE1 3.94Å; L388-Q412 VanDerWaalsContact CD2-NE2 3.3Å
389E89.6Confident90.5Very high68 Ų6832.2 Ų32.232%0.31817%0.165SC..Hα-helixtrans-71.3-13.2176.6-71.6173.1-172.600113.9K241 N284 R310 I385K241-E389 WeakPolarHBondContact CE-O 3.27Å; K241-E389 PolarHBondContact NZ-O 2.8Å; N284-E389 PolarHBondContact ND2-O 2.85Å; N284-E389 VanDerWaalsContact ND2-O 3.07Å; R310-E389 IonicContact CZ-OE1 3.25Å; R310-E389 IonicContact CZ-OE2 2.75Å; R310-E389 IonicContact NH1-OE1 3.53Å; R310-E389 PolarHBondContact NH1-OE1 2.95Å; R310-E389 IonicContact NH1-OE2 2.68Å; R310-E389 PolarHBondContact NH1-OE2 2.83Å; R310-E389 IonicContact NH2-OE1 2.91Å; R310-E389 PolarHBondContact NH2-OE1 3.21Å; R310-E389 IonicContact NH2-OE2 2.68Å; I385-E389 HydrophobicContact CG2-CG 4.3Å; I385-E389 WeakPolarHBondContact CG2-OE1 3.46Å; I385-E389 WeakPolarHBondContact O-CB 3.19Å; I385-E389 WeakPolarHBondContact O-CG 3.27Å; I385-E389 PolarHBondContact O-N 2.85Å
390S92.9Very high91.5Very high0 Ų029.2 Ų29.20%015%0.145CC..  trans-68.4147.2-177740000114R244 I386 I387 L388 I393R244-S390 PolarHBondContact NE-O 3.47Å; R244-S390 PolarHBondContact NE-OG 2.85Å; I386-S390 PolarHBondContact O-N 3Å; I386-S390 VanDerWaalsContact O-N 3.17Å; I387-S390 WeakPolarHBondContact O-CB 3.48Å; I387-S390 PolarHBondContact O-N 2.94Å; I387-S390 PolarHBondContact O-OG 3.32Å; L388-S390 PolarHBondContact O-N 2.86Å; S390-I393 WeakPolarHBondContact OG-CD1 3.46Å; S390-I393 VanDerWaalsContact OG-CG1 3.3Å; S390-I393 WeakPolarHBondContact OG-CG1 3.29Å
391H93.9Very high92.2Very high41 Ų4124.3 Ų24.319%0.1913%0.125CC..SBendtrans-98.9-40168.6-63.7144.2000111.5L223 K241 R244 V245 I283 N284L223-H391 HydrophobicContact CD1-CB 4.04Å; L223-H391 HydrophobicContact CD2-CB 4.22Å; K241-H391 WeakPolarHBondContact CD-NE2 3.41Å; K241-H391 PolarHBondContact NZ-NE2 2.83Å; R244-H391 WeakPolarHBondContact CA-O 3.43Å; V245-H391 PolarHBondContact N-O 3.31Å; I283-H391 WeakPolarHBondContact CA-ND1 3.43Å; I283-H391 HydrophobicContact CB-CB 4.3Å; N284-H391 PolarHBondContact N-ND1 2.86Å; N284-H391 PolarHBondContact O-N 2.86Å
392I96.6Very high92.4Very high0 Ų017.9 Ų17.90%010%0.099CC..EExtended strand (participates in β ladder)trans-127.2128178.1-53178.6000108.8L219 L223 V247 I262 F266 I283 N284 L285 V286L219-I392 HydrophobicContact CB-CD1 4.38Å; L219-I392 HydrophobicContact CD1-CD1 4.29Å; L219-I392 HydrophobicContact CD2-CD1 4.11Å; L219-I392 HydrophobicContact CD2-CG1 4.43Å; L223-I392 HydrophobicContact CD1-CD1 3.78Å; L223-I392 HydrophobicContact CD1-CG1 3.69Å; V247-I392 HydrophobicContact CG2-CG2 3.81Å; I262-I392 HydrophobicContact CG2-CD1 4.02Å; F266-I392 HydrophobicContact CE2-CD1 4.39Å; F266-I392 HydrophobicContact CZ-CD1 4.47Å; I283-I392 HydrophobicContact CD1-CD1 3.57Å; I283-I392 HydrophobicContact CD1-CG1 4.21Å; N284-I392 PolarHBondContact O-N 3.03Å; L285-I392 HydrophobicContact CD1-CB 3.75Å; L285-I392 HydrophobicContact CD1-CG2 3.77Å; V286-I392 PolarHBondContact N-O 3.35Å
393I97.4Very high92.3Very high0 Ų023.6 Ų23.60%013%0.129CC..EExtended strand (participates in β ladder)trans-109.5125168.1-56.9-172.2000108.7V245 L246 V247 V286 L288 I387 S390 L405 F409 F417V245-I393 PolarHBondContact O-N 2.85Å; L246-I393 HydrophobicContact CD1-CB 4.06Å; L246-I393 HydrophobicContact CD1-CG2 4.01Å; V247-I393 PolarHBondContact N-O 2.84Å; V286-I393 CarbonylContact O-C 3.44Å; V286-I393 WeakPolarHBondContact O-CA 3.37Å; L288-I393 HydrophobicContact CD1-CG2 3.66Å; L288-I393 HydrophobicContact CG-CG2 3.86Å; I387-I393 HydrophobicContact CG2-CD1 3.95Å; S390-I393 WeakPolarHBondContact OG-CD1 3.46Å; S390-I393 VanDerWaalsContact OG-CG1 3.3Å; S390-I393 WeakPolarHBondContact OG-CG1 3.29Å; I393-L405 HydrophobicContact CD1-CD2 3.82Å; I393-L405 HydrophobicContact CG2-CD2 4.49Å; I393-F409 HydrophobicContact CD1-CZ 4.46Å; I393-F417 HydrophobicContact CD1-CE1 3.98Å; I393-F417 HydrophobicContact CD1-CZ 4.2Å; I393-F417 HydrophobicContact CG1-CE1 4.4Å
394C98.4Very high92.2Very high1 Ų124.4 Ų24.41%0.00713%0.134CC..EExtended strand (participates in β ladder)trans-111.7124.9177.8-68.10000110.4V247 V255 M259 V286 R287 L288V247-C394 WeakPolarHBondContact O-CA 3.3Å; V255-C394 HydrophobicContact CG1-CB 3.85Å; M259-C394 HydrophobicContact CE-CB 4.33Å; M259-C394 HydrophobicContact CG-CB 3.67Å; M259-C394 HydrophobicContact SD-CB 3.59Å; M259-C394 VanDerWaalsContact SD-CB 3.59Å; V286-C394 PolarHBondContact O-N 3.43Å; R287-C394 CarbonylContact C-O 3.58Å; R287-C394 WeakPolarHBondContact CA-O 3.44Å; R287-C394 VanDerWaalsContact CD-O 3.29Å; R287-C394 WeakPolarHBondContact CD-O 3.28Å; L288-C394 PolarHBondContact N-O 3.24Å
395C97.6Very high92.2Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-154.7171.7178.367.90000112.2V247 C248 A249 V255 L288 T399V247-C395 PolarHBondContact O-N 3.12Å; C248-C395 VanDerWaalsContact CA-O 3.31Å; C248-C395 WeakPolarHBondContact CA-O 3.4Å; A249-C395 PolarHBondContact N-O 3.1Å; V255-C395 WeakPolarHBondContact CG2-O 3.22Å; L288-C395 HydrophobicContact CB-CB 3.85Å; C395-T399 HydrophobicContact CB-CG2 3.96Å
396T97.4Very high92Very high12 Ų1222 Ų227%0.07412%0.118CC..EExtended strand (participates in β ladder)trans-77.1156.4168.9600000110.7A249 N252 V255 S398 T399 S400A249-T396 CarbonylContact O-C 3.58Å; A249-T396 VanDerWaalsContact O-CA 3.23Å; A249-T396 WeakPolarHBondContact O-CA 3.48Å; N252-T396 HydrophobicContact CB-CG2 4.46Å; N252-T396 WeakPolarHBondContact OD1-CG2 3.42Å; V255-T396 HydrophobicContact CG2-CG2 4.04Å; T396-S398 PolarHBondContact O-N 3.28Å; T396-T399 WeakPolarHBondContact O-CA 3.36Å; T396-T399 PolarHBondContact O-N 2.71Å; T396-T399 WeakPolarHBondContact OG1-CB 3.41Å; T396-T399 PolarHBondContact OG1-N 2.87Å; T396-T399 PolarHBondContact OG1-OG1 3.26Å; T396-S400 PolarHBondContact O-N 3.47Å
397L96.9Very high91.7Very high0 Ų024.7 Ų24.70%014%0.138CC..Hα-helixtrans-50.8-52.4176.7-75.4168.5000111.7C248 A249 P250 T399 S400 V422 E432 T435 P436C248-L397 HydrophobicContact CB-CD2 3.63Å; C248-L397 HydrophobicContact CB-CG 4.11Å; A249-L397 PolarHBondContact O-N 3.39Å; P250-L397 HydrophobicContact CB-CD1 4.44Å; L397-T399 VanDerWaalsContact C-N 3.34Å; L397-T399 PolarHBondContact O-N 2.66Å; L397-S400 WeakPolarHBondContact O-CB 3.49Å; L397-S400 PolarHBondContact O-N 3.27Å; L397-S400 PolarHBondContact O-OG 2.98Å; L397-V422 HydrophobicContact CD1-CG1 4.13Å; L397-V422 HydrophobicContact CD2-CG1 4.08Å; L397-V422 HydrophobicContact CD2-CG2 4.12Å; L397-V422 HydrophobicContact CG-CG1 4.42Å; L397-E432 HydrophobicContact CB-CG 3.61Å; L397-E432 HydrophobicContact CD1-CG 4.01Å; L397-E432 HydrophobicContact CG-CG 4.44Å; L397-T435 WeakPolarHBondContact O-CB 3.33Å; L397-T435 VanDerWaalsContact O-CG2 3.32Å; L397-T435 WeakPolarHBondContact O-CG2 3.37Å; L397-P436 HydrophobicContact CD2-CG 3.87Å
398S93.9Very high91.4Very high12 Ų1225 Ų258%0.08414%0.14CC..Hα-helixtrans-56.4-41.3172.7176.80000113.3T127 R130 T396 S400 G401T127-S398 PolarHBondContact OG1-OG 2.62Å; R130-S398 WeakPolarHBondContact CD-O 3.39Å; R130-S398 PolarHBondContact NH1-O 3.37Å; R130-S398 PolarHBondContact NH1-OG 2.76Å; T396-S398 PolarHBondContact O-N 3.28Å; S398-S400 VanDerWaalsContact C-N 3.31Å; S398-S400 PolarHBondContact O-N 2.63Å; S398-G401 PolarHBondContact O-N 2.81Å
399T93.3Very high91.2Very high32 Ų3224.4 Ų24.420%0.19614%0.136CC..Hα-helixtrans-66.8-29.4179.4-65.90000113.1L288 C395 T396 L397 G401 G402L288-T399 HydrophobicContact CB-CG2 3.9Å; C395-T399 HydrophobicContact CB-CG2 3.96Å; T396-T399 WeakPolarHBondContact O-CA 3.36Å; T396-T399 PolarHBondContact O-N 2.71Å; T396-T399 WeakPolarHBondContact OG1-CB 3.41Å; T396-T399 PolarHBondContact OG1-N 2.87Å; T396-T399 PolarHBondContact OG1-OG1 3.26Å; L397-T399 VanDerWaalsContact C-N 3.34Å; L397-T399 PolarHBondContact O-N 2.66Å; T399-G401 PolarHBondContact O-N 2.84Å; T399-G402 PolarHBondContact O-N 2.84Å
400S94.3Very high90.6Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-59.3-27.4176.675.70000113.5T396 L397 S398 G402 P436 H439T396-S400 PolarHBondContact O-N 3.47Å; L397-S400 WeakPolarHBondContact O-CB 3.49Å; L397-S400 PolarHBondContact O-N 3.27Å; L397-S400 PolarHBondContact O-OG 2.98Å; S398-S400 VanDerWaalsContact C-N 3.31Å; S398-S400 PolarHBondContact O-N 2.63Å; S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.93Å; S400-P436 VanDerWaalsContact OG-CA 3.31Å; S400-P436 WeakPolarHBondContact OG-CA 3.43Å; S400-P436 WeakPolarHBondContact OG-CD 3.19Å; S400-P436 VanDerWaalsContact OG-N 3.14Å; S400-H439 PolarHBondContact O-NE2 2.75Å
401G89Confident89.5Confident8 Ų834.3 Ų34.38%0.08220%0.197CC..THydrogen-bonded Turntrans-83.49.6176.700000115S398 T399S398-G401 PolarHBondContact O-N 2.81Å; T399-G401 PolarHBondContact O-N 2.84Å
402G85.4Confident88.1Confident10 Ų1035.2 Ų35.210%0.10320%0.201CC..SBendtrans-76.8146.2179.500000113.4T399 S400 L404 L405T399-G402 PolarHBondContact O-N 2.84Å; S400-G402 VanDerWaalsContact C-N 3.27Å; S400-G402 PolarHBondContact O-N 2.93Å; G402-L404 PolarHBondContact O-N 2.91Å; G402-L405 PolarHBondContact O-N 2.84Å
403L83.3Confident86.6Confident129 Ų12938.2 Ų38.268%0.67523%0.232SC*.Hα-helixtrans-53.2-21.9177.1-65.1175000114.1S407L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 2.86Å; L403-S407 PolarHBondContact O-OG 3.02Å
404L86.3Confident85.3Confident57 Ų5741.1 Ų41.130%0.29826%0.262SS..Hα-helixtrans-60.8-48.2178.5178.363.4000113L288 L303 Q383 I387 G402 S407 A408L288-L404 HydrophobicContact CD1-CD2 4.42Å; L288-L404 HydrophobicContact CD2-CD2 4.04Å; L303-L404 HydrophobicContact CD2-CD1 4.02Å; L303-L404 HydrophobicContact CD2-CD2 3.73Å; L303-L404 HydrophobicContact CD2-CG 4.29Å; Q383-L404 HydrophobicContact CB-CD1 4.3Å; I387-L404 HydrophobicContact CD1-CD1 3.84Å; I387-L404 HydrophobicContact CD1-CD2 4.49Å; I387-L404 HydrophobicContact CD1-CG 3.84Å; G402-L404 PolarHBondContact O-N 2.91Å; L404-S407 PolarHBondContact O-OG 2.88Å; L404-A408 WeakPolarHBondContact O-CB 3.43Å; L404-A408 PolarHBondContact O-N 3.11Å
405L88.8Confident84.4Confident1 Ų144.2 Ų44.21%0.00528%0.281CS..Hα-helixtrans-72.8-41.9175.8-73.9-178.9000111.2L246 L288 I387 I393 G402 S407 A408 F409 F417L246-L405 HydrophobicContact CD1-CD1 4.34Å; L288-L405 HydrophobicContact CD1-CD1 3.99Å; L288-L405 HydrophobicContact CD1-CD2 3.56Å; L288-L405 HydrophobicContact CD1-CG 3.67Å; I387-L405 HydrophobicContact CG2-CD2 4.07Å; I393-L405 HydrophobicContact CD1-CD2 3.82Å; I393-L405 HydrophobicContact CG2-CD2 4.49Å; G402-L405 PolarHBondContact O-N 2.84Å; L405-S407 VanDerWaalsContact C-N 3.3Å; L405-S407 PolarHBondContact O-N 3.01Å; L405-A408 PolarHBondContact O-N 3.16Å; L405-F409 HydrophobicContact CB-CE2 4.5Å; L405-F409 HydrophobicContact CD2-CE2 4.02Å; L405-F409 WeakPolarHBondContact O-CD2 3.39Å; L405-F409 PolarHBondContact O-N 3.3Å; L405-F417 HydrophobicContact CD1-CZ 4.42Å; L405-F417 HydrophobicContact CD2-CZ 4.44Å
406E84.6Confident83.8Confident51 Ų5145.2 Ų45.224%0.23829%0.287CS..Hα-helixtrans-62-35.5-179.5-177.2178.3179.400112.7K133 R410K133-E406 IonicContact NZ-OE1 2.77Å; K133-E406 PolarHBondContact NZ-OE1 3.48Å; K133-E406 IonicContact NZ-OE2 3.88Å; K133-E406 PolarHBondContact NZ-OE2 3.49Å; E406-R410 WeakPolarHBondContact O-CB 3.44Å; E406-R410 PolarHBondContact O-N 2.97Å; E406-R410 VanDerWaalsContact O-N 3.14Å
407S85Confident83.4Confident65 Ų6544.7 Ų44.746%0.45528%0.284SS..Hα-helixtrans-79.9-38.4176.357.20000112.9L403 L404 L405 F409 R410L403-S407 WeakPolarHBondContact O-CB 3.44Å; L403-S407 PolarHBondContact O-N 2.86Å; L403-S407 PolarHBondContact O-OG 3.02Å; L404-S407 PolarHBondContact O-OG 2.88Å; L405-S407 VanDerWaalsContact C-N 3.3Å; L405-S407 PolarHBondContact O-N 3.01Å; S407-F409 PolarHBondContact O-N 3.18Å; S407-R410 PolarHBondContact O-N 2.94Å
408A85.8Confident83.1Confident6 Ų646 Ų465%0.0529%0.293CS..Hα-helixtrans-62.1-29.5176.500000113.2I387 L404 L405I387-A408 HydrophobicContact CB-CB 4.11Å; I387-A408 HydrophobicContact CD1-CB 3.96Å; I387-A408 HydrophobicContact CG2-CB 3.66Å; L404-A408 WeakPolarHBondContact O-CB 3.43Å; L404-A408 PolarHBondContact O-N 3.11Å; L405-A408 PolarHBondContact O-N 3.16Å
409F84.2Confident83.1Confident19 Ų1945.4 Ų45.48%0.08329%0.289CS..THydrogen-bonded Turntrans-103.71.6175.5-53.1-53.5000114.2I387 L388 I393 L405 S407 G411 Q412 P416 F417I387-F409 HydrophobicContact CG2-CE1 3.98Å; I387-F409 HydrophobicContact CG2-CE2 4.24Å; I387-F409 HydrophobicContact CG2-CZ 3.6Å; L388-F409 HydrophobicContact CD2-CD1 3.99Å; L388-F409 HydrophobicContact CD2-CE1 3.94Å; I393-F409 HydrophobicContact CD1-CZ 4.46Å; L405-F409 HydrophobicContact CB-CE2 4.5Å; L405-F409 HydrophobicContact CD2-CE2 4.02Å; L405-F409 WeakPolarHBondContact O-CD2 3.39Å; L405-F409 PolarHBondContact O-N 3.3Å; S407-F409 PolarHBondContact O-N 3.18Å; F409-G411 PolarHBondContact O-N 3.41Å; F409-Q412 PolarHBondContact O-N 3.44Å; F409-P416 HydrophobicContact CB-CB 4.07Å; F409-P416 HydrophobicContact CB-CG 4.46Å; F409-P416 HydrophobicContact CD1-CB 3.73Å; F409-P416 HydrophobicContact CD2-CB 3.57Å; F409-P416 HydrophobicContact CD2-CG 4.03Å; F409-P416 HydrophobicContact CE1-CB 4.02Å; F409-P416 HydrophobicContact CE2-CB 3.86Å; F409-P416 HydrophobicContact CG-CB 3.51Å; F409-P416 HydrophobicContact CG-CG 4.22Å; F409-P416 HydrophobicContact CZ-CB 4.08Å; F409-F417 HydrophobicContact CD2-CE2 4.42Å; F409-F417 HydrophobicContact CE2-CE1 4.27Å; F409-F417 AromaticContact CE2-CE2 3.76Å; F409-F417 HydrophobicContact CE2-CE2 3.76Å; F409-F417 AromaticContact CE2-CZ 3.5Å; F409-F417 HydrophobicContact CE2-CZ 3.5Å; F409-F417 HydrophobicContact CZ-CE1 4.29Å; F409-F417 AromaticContact CZ-CZ 3.95Å; F409-F417 HydrophobicContact CZ-CZ 3.95Å
410R77Confident83.3Confident193 Ų19343.9 Ų43.973%0.72828%0.28SS*.THydrogen-bonded Turntrans-64.3128.9176.9178.9177.9-76.5-145.2-1109.9E406 S407 Q412E406-R410 WeakPolarHBondContact O-CB 3.44Å; E406-R410 PolarHBondContact O-N 2.97Å; E406-R410 VanDerWaalsContact O-N 3.14Å; S407-R410 PolarHBondContact O-N 2.94Å; R410-Q412 PolarHBondContact O-N 3.14Å
411G69.9Low83.5Confident84 Ų8443.9 Ų43.987%0.86628%0.28SS*.THydrogen-bonded Turntrans78.5-1.7-179.200000114.4F409F409-G411 PolarHBondContact O-N 3.41Å
412Q65.4Low83.9Confident59 Ų5943.5 Ų43.528%0.27628%0.276SS..  trans-86125.6170.1-62.6-155.6-13.500110.1I240 L388 F409 R410I240-Q412 HydrophobicContact CD1-CB 3.92Å; I240-Q412 HydrophobicContact CD1-CG 4.46Å; L388-Q412 VanDerWaalsContact CD2-NE2 3.3Å; F409-Q412 PolarHBondContact O-N 3.44Å; R410-Q412 PolarHBondContact O-N 3.14Å
413G63.9Low84.5Confident63 Ų6343.2 Ų43.265%0.64927%0.272SS*.  trans-70.1152.9178.900000112.8
414G71.8Confident85.1Confident61 Ų6139.7 Ų39.763%0.62925%0.252SS*.SBendtrans88-150.6177.900000114.3
415V78.6Confident85.6Confident66 Ų6637 Ų3740%0.424%0.238SC..  trans-116.4123.7-177.4-179.60000108.9F417 R440V415-F417 VanDerWaalsContact C-N 3.3Å; V415-F417 WeakPolarHBondContact CG1-O 3.45Å; V415-F417 PolarHBondContact O-N 2.66Å; V415-R440 WeakPolarHBondContact CG1-O 3.34Å
416P84.7Confident85.9Confident21 Ų2137.2 Ų37.214%0.13624%0.24CC..SBendtrans-75.3-11.5-17229.7-37.1000115.2R244 F409 H439R244-P416 PolarHBondContact NH1-O 3.27Å; F409-P416 HydrophobicContact CB-CB 4.07Å; F409-P416 HydrophobicContact CB-CG 4.46Å; F409-P416 HydrophobicContact CD1-CB 3.73Å; F409-P416 HydrophobicContact CD2-CB 3.57Å; F409-P416 HydrophobicContact CD2-CG 4.03Å; F409-P416 HydrophobicContact CE1-CB 4.02Å; F409-P416 HydrophobicContact CE2-CB 3.86Å; F409-P416 HydrophobicContact CG-CB 3.51Å; F409-P416 HydrophobicContact CG-CG 4.22Å; F409-P416 HydrophobicContact CZ-CB 4.08Å; P416-H439 VanDerWaalsContact CD-O 3.29Å; P416-H439 WeakPolarHBondContact CD-O 3.41Å; P416-H439 HydrophobicContact CG-CB 4.08Å; P416-H439 WeakPolarHBondContact CG-O 3.47Å
417F90.4Very high86.3Confident2 Ų237.2 Ų37.21%0.00924%0.24CC..  trans-137.4129.6-178.9-60.4-69000111.4R244 L246 I393 L405 F409 V415 C419 H439 C441R244-F417 HydrophobicContact CB-CD1 4.37Å; R244-F417 HydrophobicContact CG-CD1 3.95Å; R244-F417 HydrophobicContact CG-CE1 4.04Å; R244-F417 CarbonylContact O-C 3.55Å; R244-F417 VanDerWaalsContact O-CA 3.3Å; R244-F417 WeakPolarHBondContact O-CA 3.49Å; L246-F417 HydrophobicContact CB-CB 4.49Å; L246-F417 HydrophobicContact CB-CD1 3.67Å; L246-F417 HydrophobicContact CB-CD2 4.14Å; L246-F417 HydrophobicContact CB-CE1 3.76Å; L246-F417 HydrophobicContact CB-CE2 4.23Å; L246-F417 HydrophobicContact CB-CG 3.85Å; L246-F417 HydrophobicContact CB-CZ 4.03Å; L246-F417 HydrophobicContact CD1-CE1 4.25Å; L246-F417 HydrophobicContact CD1-CZ 4.04Å; L246-F417 HydrophobicContact CD2-CD2 4.2Å; L246-F417 HydrophobicContact CD2-CE2 3.89Å; L246-F417 HydrophobicContact CD2-CZ 4.15Å; L246-F417 HydrophobicContact CG-CE1 4.45Å; L246-F417 HydrophobicContact CG-CE2 4.47Å; L246-F417 HydrophobicContact CG-CZ 4.3Å; I393-F417 HydrophobicContact CD1-CE1 3.98Å; I393-F417 HydrophobicContact CD1-CZ 4.2Å; I393-F417 HydrophobicContact CG1-CE1 4.4Å; L405-F417 HydrophobicContact CD1-CZ 4.42Å; L405-F417 HydrophobicContact CD2-CZ 4.44Å; F409-F417 HydrophobicContact CD2-CE2 4.42Å; F409-F417 HydrophobicContact CE2-CE1 4.27Å; F409-F417 AromaticContact CE2-CE2 3.76Å; F409-F417 HydrophobicContact CE2-CE2 3.76Å; F409-F417 AromaticContact CE2-CZ 3.5Å; F409-F417 HydrophobicContact CE2-CZ 3.5Å; F409-F417 HydrophobicContact CZ-CE1 4.29Å; F409-F417 AromaticContact CZ-CZ 3.95Å; F409-F417 HydrophobicContact CZ-CZ 3.95Å; V415-F417 VanDerWaalsContact C-N 3.3Å; V415-F417 WeakPolarHBondContact CG1-O 3.45Å; V415-F417 PolarHBondContact O-N 2.66Å; F417-C419 VanDerWaalsContact C-N 3.3Å; F417-C419 PolarHBondContact O-N 3.5Å; F417-H439 HydrophobicContact CD2-CB 3.87Å; F417-H439 HydrophobicContact CE2-CB 3.93Å; F417-H439 AromaticContact CE2-CG 3.9Å; F417-C441 PolarHBondContact O-SG 2.87Å
418S90.2Very high86.8Confident27 Ų2734.2 Ų34.219%0.18922%0.219CC..SBendtrans-68.5-30.9176.157.60000112.3R244 K443R244-S418 PolarHBondContact O-N 3.23Å; R244-S418 PolarHBondContact O-OG 3.21Å; S418-K443 WeakPolarHBondContact O-CB 3.26Å; S418-K443 VanDerWaalsContact O-CG 3.28Å; S418-K443 WeakPolarHBondContact O-CG 3.38Å
419C93.7Very high87.2Confident0 Ų034.3 Ų34.30%022%0.219CC..EExtended strand (participates in β ladder)trans-155.7158.9169.3580000112.4V191 L246 F417 C441 K443V191-C419 HydrophobicContact CG1-CB 4.22Å; V191-C419 HydrophobicContact CG2-CB 3.68Å; L246-C419 PolarHBondContact N-O 2.86Å; L246-C419 VanDerWaalsContact N-O 3.14Å; F417-C419 VanDerWaalsContact C-N 3.3Å; F417-C419 PolarHBondContact O-N 3.5Å; C419-C441 WeakPolarHBondContact CA-SG 3.22Å; C419-K443 WeakPolarHBondContact CA-O 3.38Å; C419-K443 HydrophobicContact CB-CB 3.8Å
420V96.6Very high87.8Confident0 Ų035.4 Ų35.40%023%0.225CC..EExtended strand (participates in β ladder)trans-105128.7163.9178.10000108.4L246 V422 P436 C441 K443 L444 I445L246-V420 HydrophobicContact CB-CG2 4.35Å; L246-V420 HydrophobicContact CD2-CG2 4.27Å; L246-V420 WeakPolarHBondContact O-CA 3.34Å; V420-V422 HydrophobicContact CG1-CG2 4.2Å; V420-P436 HydrophobicContact CG1-CB 3.81Å; V420-P436 HydrophobicContact CG1-CG 3.85Å; V420-P436 HydrophobicContact CG2-CB 4.33Å; V420-C441 HydrophobicContact CG2-CB 3.76Å; V420-K443 PolarHBondContact N-O 2.98Å; V420-L444 HydrophobicContact CB-CD1 4.12Å; V420-L444 HydrophobicContact CG1-CD1 4.03Å; V420-I445 PolarHBondContact O-N 3.42Å
421I98.4Very high88.6Confident0 Ų028 Ų280%020%0.199CC..EExtended strand (participates in β ladder)trans-110.9134171.2-51.2-178.1000108.4I215 L218 L219 V245 L246 C248 I445 V447I215-I421 HydrophobicContact CD1-CG2 4.13Å; I215-I421 HydrophobicContact CG1-CG2 4.21Å; I215-I421 HydrophobicContact CG2-CD1 4.31Å; I215-I421 HydrophobicContact CG2-CG2 4.08Å; L218-I421 HydrophobicContact CD2-CD1 4.13Å; L219-I421 HydrophobicContact CD2-CD1 4.02Å; L219-I421 HydrophobicContact CG-CD1 4.32Å; V245-I421 HydrophobicContact CG1-CD1 3.88Å; V245-I421 HydrophobicContact CG1-CG1 4.01Å; L246-I421 PolarHBondContact O-N 3.01Å; C248-I421 PolarHBondContact N-O 3.12Å; I421-I445 CarbonylContact C-O 3.6Å; I421-I445 WeakPolarHBondContact CA-O 3.48Å; I421-I445 HydrophobicContact CG1-CB 4.28Å; I421-I445 HydrophobicContact CG1-CD1 4.21Å; I421-I445 HydrophobicContact CG2-CB 4.43Å; I421-V447 HydrophobicContact CG2-CG2 4.27Å
422V98.4Very high89.7Confident0 Ų025.3 Ų25.30%016%0.164CC..EExtended strand (participates in β ladder)trans-119.6112.9173.3-1720000109.1C248 L397 V420 A425 L444 I445 L446 V447C248-V422 HydrophobicContact CB-CG2 4.39Å; C248-V422 CarbonylContact O-C 3.48Å; C248-V422 WeakPolarHBondContact O-CA 3.48Å; L397-V422 HydrophobicContact CD1-CG1 4.13Å; L397-V422 HydrophobicContact CD2-CG1 4.08Å; L397-V422 HydrophobicContact CD2-CG2 4.12Å; L397-V422 HydrophobicContact CG-CG1 4.42Å; V420-V422 HydrophobicContact CG1-CG2 4.2Å; V422-A425 HydrophobicContact CB-CB 4.14Å; V422-A425 HydrophobicContact CG1-CB 3.84Å; V422-L444 HydrophobicContact CG2-CD1 4.2Å; V422-I445 PolarHBondContact N-O 3.02Å; V422-L446 HydrophobicContact CB-CD2 3.94Å; V422-L446 HydrophobicContact CG2-CD2 3.91Å; V422-V447 PolarHBondContact O-N 2.96Å
423D97.8Very high91.2Very high3 Ų322.5 Ų22.52%0.01615%0.151CC..THydrogen-bonded Turntrans-87.1152.1169.3-157.1-0.5000110.4S212 I215 C248 P250 L258 A425 V447S212-D423 PolarHBondContact OG-OD2 3.14Å; I215-D423 HydrophobicContact CD1-CB 3.54Å; C248-D423 PolarHBondContact O-N 2.89Å; P250-D423 WeakPolarHBondContact CD-O 3.15Å; L258-D423 HydrophobicContact CD2-CB 4.01Å; D423-A425 PolarHBondContact O-N 3.34Å; D423-V447 CarbonylContact C-O 3.6Å
424E95.9Very high92.6Very high55 Ų5519.9 Ų19.926%0.25712%0.122SC..THydrogen-bonded Turntrans4638.3-167.3-59.4-62.8176.200114.3K211 G426 Q427 V447K211-E424 WeakPolarHBondContact CE-OE1 3.27Å; K211-E424 VanDerWaalsContact CE-OE2 3.25Å; K211-E424 WeakPolarHBondContact CE-OE2 3.29Å; K211-E424 IonicContact NZ-OE1 2.7Å; K211-E424 PolarHBondContact NZ-OE1 2.89Å; K211-E424 IonicContact NZ-OE2 2.68Å; K211-E424 PolarHBondContact NZ-OE2 3.04Å; E424-G426 PolarHBondContact O-N 3.27Å; E424-Q427 PolarHBondContact O-N 2.93Å; E424-V447 PolarHBondContact N-O 3.26Å
425A97.1Very high93.7Very high1 Ų117.1 Ų17.11%0.0089%0.093CC..G310 helixtrans-56.3-24.8-177.100000114.6V422 D423 Q427 S428 L446 V447 M472V422-A425 HydrophobicContact CB-CB 4.14Å; V422-A425 HydrophobicContact CG1-CB 3.84Å; D423-A425 PolarHBondContact O-N 3.34Å; A425-Q427 PolarHBondContact O-N 2.79Å; A425-S428 PolarHBondContact O-OG 2.75Å; A425-S428 VanDerWaalsContact O-OG 3.04Å; A425-L446 HydrophobicContact CB-CB 3.98Å; A425-L446 HydrophobicContact CB-CD2 4.19Å; A425-V447 PolarHBondContact N-O 2.94Å; A425-M472 HydrophobicContact CB-CB 4.28Å; A425-M472 HydrophobicContact CB-SD 4.1Å
426G94.9Very high94.4Very high5 Ų514 Ų145%0.0527%0.074CC..G310 helixtrans-63.7-25.2173.600000114.3E424 S470E424-G426 PolarHBondContact O-N 3.27Å; G426-S470 VanDerWaalsContact O-CB 3.29Å; G426-S470 WeakPolarHBondContact O-CB 3.33Å; G426-S470 PolarHBondContact O-OG 3.16Å; G426-S470 VanDerWaalsContact O-OG 3.07Å
427Q93.8Very high94.7Very high52 Ų5213.1 Ų13.124%0.2437%0.068CC..G310 helixtrans-96.224.1-176.9-156-158.621.500112.8P250 E424 A425P250-Q427 HydrophobicContact CG-CB 4.3Å; E424-Q427 PolarHBondContact O-N 2.93Å; A425-Q427 PolarHBondContact O-N 2.79Å
428S94.9Very high94.5Very high1 Ų114.5 Ų14.51%0.0078%0.075CC..SBendtrans-132.3134-179.269.40000111.6A425 T433 S470A425-S428 PolarHBondContact O-OG 2.75Å; A425-S428 VanDerWaalsContact O-OG 3.04Å; S428-T433 PolarHBondContact OG-OG1 3.32Å; S428-T433 VanDerWaalsContact OG-OG1 3.1Å; S428-S470 WeakPolarHBondContact O-CA 3.34Å; S428-S470 WeakPolarHBondContact O-CB 3.37Å
429C94.6Very high94.4Very high8 Ų813.8 Ų13.85%0.0547%0.069CC..  trans-58.8144.4174.5-63.20000109.2I431 E432 T433 P455 Y467C429-I431 VanDerWaalsContact C-N 3.27Å; C429-I431 PolarHBondContact O-N 2.68Å; C429-I431 VanDerWaalsContact O-N 3.16Å; C429-E432 WeakPolarHBondContact O-CA 3.5Å; C429-E432 WeakPolarHBondContact O-CB 3.47Å; C429-E432 PolarHBondContact O-N 2.98Å; C429-T433 PolarHBondContact O-N 3.1Å; C429-P455 HydrophobicContact CB-CG 4.48Å; C429-Y467 HydrophobicContact CB-CE1 4.32Å; C429-Y467 PolarHBondContact SG-O 3.12Å; C429-Y467 VanDerWaalsContact SG-O 3.33Å
430E95.4Very high93.9Very high43 Ų4320.8 Ų20.820%0.20110%0.095CC..Hα-helixtrans-50-46.3-178.1172153.8150.800113.4E432 T433 L434 Q469 M471 R474E430-E432 PolarHBondContact O-N 3.03Å; E430-T433 WeakPolarHBondContact O-CA 3.13Å; E430-T433 WeakPolarHBondContact O-CB 3.25Å; E430-T433 PolarHBondContact O-N 3.33Å; E430-L434 PolarHBondContact O-N 3.48Å; E430-Q469 PolarHBondContact N-O 2.91Å; E430-M471 HydrophobicContact CB-CB 4.15Å; E430-M471 HydrophobicContact CG-CB 3.93Å; E430-M471 HydrophobicContact CG-CE 3.88Å; E430-M471 HydrophobicContact CG-CG 4.35Å; E430-M471 WeakPolarHBondContact OE2-CA 3.46Å; E430-R474 VanDerWaalsContact CD-NH2 3.3Å; E430-R474 IonicContact OE1-CZ 2.77Å; E430-R474 IonicContact OE1-NE 2.73Å; E430-R474 PolarHBondContact OE1-NE 2.77Å; E430-R474 IonicContact OE1-NH2 2.7Å; E430-R474 PolarHBondContact OE1-NH2 2.9Å; E430-R474 IonicContact OE2-CZ 3.9Å; E430-R474 IonicContact OE2-NE 3.18Å; E430-R474 PolarHBondContact OE2-NE 2.99Å; E430-R474 IonicContact OE2-NH2 2.66Å; E430-R474 PolarHBondContact OE2-NH2 3.43Å
431I93.4Very high93.4Very high36 Ų3620.8 Ų20.819%0.18510%0.095CC..Hα-helixtrans-61.1-29.3179.8-63.7159.8000112.1K131 M135 C429 L434 Y467K131-I431 HydrophobicContact CB-CG2 3.64Å; K131-I431 HydrophobicContact CD-CG2 4.48Å; K131-I431 HydrophobicContact CG-CG2 3.99Å; M135-I431 HydrophobicContact CE-CD1 4.26Å; M135-I431 HydrophobicContact CG-CG1 4.23Å; M135-I431 HydrophobicContact CG-CG2 3.65Å; M135-I431 HydrophobicContact SD-CD1 3.81Å; M135-I431 HydrophobicContact SD-CG1 4.05Å; M135-I431 HydrophobicContact SD-CG2 3.71Å; C429-I431 VanDerWaalsContact C-N 3.27Å; C429-I431 PolarHBondContact O-N 2.68Å; C429-I431 VanDerWaalsContact O-N 3.16Å; I431-L434 WeakPolarHBondContact O-CB 3.48Å; I431-L434 PolarHBondContact O-N 2.99Å; I431-Y467 HydrophobicContact CD1-CD2 4.43Å; I431-Y467 HydrophobicContact CD1-CE2 3.69Å
432E94.8Very high93Very high28 Ų2821.5 Ų21.513%0.13110%0.099CC..Hα-helixtrans-72.2-33.3175.8-167.1150.9177.900112.1K131 L397 C429 E430 L434 T435K131-E432 WeakPolarHBondContact CE-OE2 3.28Å; K131-E432 IonicContact NZ-OE2 3.19Å; K131-E432 PolarHBondContact NZ-OE2 2.91Å; L397-E432 HydrophobicContact CB-CG 3.61Å; L397-E432 HydrophobicContact CD1-CG 4.01Å; L397-E432 HydrophobicContact CG-CG 4.44Å; C429-E432 WeakPolarHBondContact O-CA 3.5Å; C429-E432 WeakPolarHBondContact O-CB 3.47Å; C429-E432 PolarHBondContact O-N 2.98Å; E430-E432 PolarHBondContact O-N 3.03Å; E432-L434 PolarHBondContact O-N 3.22Å; E432-T435 VanDerWaalsContact O-CB 3.3Å; E432-T435 WeakPolarHBondContact O-CB 3.31Å; E432-T435 PolarHBondContact O-N 2.93Å; E432-T435 VanDerWaalsContact O-N 3.16Å; E432-T435 PolarHBondContact O-OG1 2.81Å
433T95.8Very high92.7Very high1 Ų121.8 Ų21.81%0.00610%0.1CC..Hα-helixtrans-66.2-22.9172.8-59.70000112.4S428 C429 E430 T435 P436 L446 M471S428-T433 PolarHBondContact OG-OG1 3.32Å; S428-T433 VanDerWaalsContact OG-OG1 3.1Å; C429-T433 PolarHBondContact O-N 3.1Å; E430-T433 WeakPolarHBondContact O-CA 3.13Å; E430-T433 WeakPolarHBondContact O-CB 3.25Å; E430-T433 PolarHBondContact O-N 3.33Å; T433-T435 VanDerWaalsContact C-N 3.31Å; T433-T435 PolarHBondContact O-N 3.35Å; T433-P436 WeakPolarHBondContact O-CD 3.33Å; T433-L446 HydrophobicContact CG2-CD2 3.79Å; T433-M471 HydrophobicContact CG2-CB 4.3Å; T433-M471 HydrophobicContact CG2-CE 3.94Å; T433-M471 HydrophobicContact CG2-SD 3.65Å
434L94.1Very high92.6Very high8 Ų821.7 Ų21.74%0.04210%0.1CC..Hα-helixtrans-69.1-26.6172.8-55.1177.9000113.3A134 M135 L138 V148 E430 I431 E432 L437 M471A134-L434 HydrophobicContact CB-CB 3.77Å; M135-L434 HydrophobicContact CG-CD1 4.22Å; L138-L434 HydrophobicContact CD1-CD2 4.05Å; L138-L434 HydrophobicContact CD2-CD1 3.93Å; L138-L434 HydrophobicContact CD2-CD2 3.89Å; V148-L434 HydrophobicContact CG1-CD2 4.07Å; E430-L434 PolarHBondContact O-N 3.48Å; I431-L434 WeakPolarHBondContact O-CB 3.48Å; I431-L434 PolarHBondContact O-N 2.99Å; E432-L434 PolarHBondContact O-N 3.22Å; L434-L437 HydrophobicContact CD2-CD1 4.28Å; L434-L437 WeakPolarHBondContact O-CA 3.45Å; L434-L437 VanDerWaalsContact O-CB 3.31Å; L434-L437 WeakPolarHBondContact O-CB 3.35Å; L434-L437 PolarHBondContact O-N 2.66Å; L434-M471 HydrophobicContact CD2-CE 3.58Å; L434-M471 HydrophobicContact CG-CE 4.4Å
435T94Very high92.7Very high2 Ų219 Ų191%0.0129%0.087CC..G310 helixtrans-52.9-47.2-172.1-39.80000114.3R130 L397 E432 T433 L437 I438R130-T435 HydrophobicContact CB-CG2 4.26Å; L397-T435 WeakPolarHBondContact O-CB 3.33Å; L397-T435 VanDerWaalsContact O-CG2 3.32Å; L397-T435 WeakPolarHBondContact O-CG2 3.37Å; E432-T435 VanDerWaalsContact O-CB 3.3Å; E432-T435 WeakPolarHBondContact O-CB 3.31Å; E432-T435 PolarHBondContact O-N 2.93Å; E432-T435 VanDerWaalsContact O-N 3.16Å; E432-T435 PolarHBondContact O-OG1 2.81Å; T433-T435 VanDerWaalsContact C-N 3.31Å; T433-T435 PolarHBondContact O-N 3.35Å; T435-L437 VanDerWaalsContact C-N 3.26Å; T435-L437 PolarHBondContact O-N 2.91Å; T435-I438 WeakPolarHBondContact O-CG1 3.37Å
436P93.2Very high92.8Very high0 Ų019 Ų190%09%0.087CC..G310 helixtrans-71.1-15.6175.527.3-37.1000114.4L246 L397 S400 V420 T433 I438 H439L246-P436 HydrophobicContact CD2-CB 3.73Å; L397-P436 HydrophobicContact CD2-CG 3.87Å; S400-P436 VanDerWaalsContact OG-CA 3.31Å; S400-P436 WeakPolarHBondContact OG-CA 3.43Å; S400-P436 WeakPolarHBondContact OG-CD 3.19Å; S400-P436 VanDerWaalsContact OG-N 3.14Å; V420-P436 HydrophobicContact CG1-CB 3.81Å; V420-P436 HydrophobicContact CG1-CG 3.85Å; V420-P436 HydrophobicContact CG2-CB 4.33Å; T433-P436 WeakPolarHBondContact O-CD 3.33Å; P436-I438 VanDerWaalsContact C-N 3.28Å; P436-I438 PolarHBondContact O-N 2.84Å; P436-H439 PolarHBondContact O-CD2 3.49Å
437L90.4Very high92.9Very high4 Ų418.8 Ų18.82%0.0219%0.085CC..G310 helixtrans-77.2-12.7-176.7-52.4-175.6000113.3L144 L434 T435 H439 R440 L444L144-L437 HydrophobicContact CD1-CD2 4.1Å; L434-L437 HydrophobicContact CD2-CD1 4.28Å; L434-L437 WeakPolarHBondContact O-CA 3.45Å; L434-L437 VanDerWaalsContact O-CB 3.31Å; L434-L437 WeakPolarHBondContact O-CB 3.35Å; L434-L437 PolarHBondContact O-N 2.66Å; T435-L437 VanDerWaalsContact C-N 3.26Å; T435-L437 PolarHBondContact O-N 2.91Å; L437-H439 PolarHBondContact O-N 3.05Å; L437-H439 VanDerWaalsContact O-N 3.08Å; L437-R440 PolarHBondContact O-N 3.41Å; L437-L444 HydrophobicContact CD1-CD2 4.36Å; L437-L444 HydrophobicContact CD2-CD1 4.19Å; L437-L444 HydrophobicContact CD2-CD2 4.33Å
438I88.1Confident93.1Very high31 Ų3116.3 Ų16.316%0.1597%0.073CC..G310 helixtrans-57.8-23.3173.372.6178.8000112.4A134 L137 T435 P436 R440A134-I438 HydrophobicContact CB-CG2 4.16Å; L137-I438 HydrophobicContact CB-CG2 4.41Å; L137-I438 HydrophobicContact CD1-CB 4.02Å; L137-I438 HydrophobicContact CD1-CG2 3.89Å; T435-I438 WeakPolarHBondContact O-CG1 3.37Å; P436-I438 VanDerWaalsContact C-N 3.28Å; P436-I438 PolarHBondContact O-N 2.84Å; I438-R440 PolarHBondContact O-N 2.74Å
439H86.8Confident93.1Very high12 Ų1216.5 Ų16.56%0.0567%0.074CC..G310 helixtrans-79.116.5176.8-57.2-60000113.7S400 P416 F417 P436 L437 C441S400-H439 PolarHBondContact O-NE2 2.75Å; P416-H439 VanDerWaalsContact CD-O 3.29Å; P416-H439 WeakPolarHBondContact CD-O 3.41Å; P416-H439 HydrophobicContact CG-CB 4.08Å; P416-H439 WeakPolarHBondContact CG-O 3.47Å; F417-H439 HydrophobicContact CD2-CB 3.87Å; F417-H439 HydrophobicContact CE2-CB 3.93Å; F417-H439 AromaticContact CE2-CG 3.9Å; P436-H439 PolarHBondContact O-CD2 3.49Å; L437-H439 PolarHBondContact O-N 3.05Å; L437-H439 VanDerWaalsContact O-N 3.08Å; H439-C441 PolarHBondContact O-N 2.84Å
440R83.8Confident93.1Very high147 Ų14716.8 Ų16.856%0.5558%0.076SC*.  trans56.829.8174.1-49.5179.4-171.1169.50.8114.7V415 L437 I438 N442V415-R440 WeakPolarHBondContact CG1-O 3.34Å; L437-R440 PolarHBondContact O-N 3.41Å; I438-R440 PolarHBondContact O-N 2.74Å; R440-N442 PolarHBondContact O-OD1 3.16Å
441C86.3Confident93Very high0 Ų017.7 Ų17.70%08%0.079CC..  trans-77.5132.5178.9-168.40000110.8L144 F417 C419 V420 H439L144-C441 VanDerWaalsContact CD1-O 3.28Å; L144-C441 WeakPolarHBondContact CD1-O 3.39Å; F417-C441 PolarHBondContact O-SG 2.87Å; C419-C441 WeakPolarHBondContact CA-SG 3.22Å; V420-C441 HydrophobicContact CG2-CB 3.76Å; H439-C441 PolarHBondContact O-N 2.84Å
442N88.9Confident93Very high15 Ų1516.6 Ų16.68%0.087%0.073CC..SBendtrans-94.3-3.8-176.6-59.5-28.7000113.3Q143 P195 A198 K199 R440Q143-N442 WeakPolarHBondContact CB-OD1 3.34Å; Q143-N442 PolarHBondContact OE1-ND2 2.99Å; Q143-N442 PolarHBondContact OE1-OD1 2.71Å; P195-N442 PolarHBondContact O-ND2 3.4Å; A198-N442 CarbonylContact C-O 3.49Å; A198-N442 VanDerWaalsContact CA-O 3.24Å; A198-N442 WeakPolarHBondContact CA-O 3.46Å; K199-N442 PolarHBondContact N-O 3.35Å; R440-N442 PolarHBondContact O-OD1 3.16Å
443K92.4Very high92.8Very high6 Ų615.7 Ų15.73%0.0267%0.069CC..EExtended strand (participates in β ladder)trans-124112.6-175.5-49.3-65.7-175.1172.40109.8M190 V191 H193 S194 V197 S418 C419 V420M190-K443 HydrophobicContact CE-CB 3.97Å; M190-K443 WeakPolarHBondContact O-CD 3.43Å; M190-K443 WeakPolarHBondContact O-CE 3.48Å; M190-K443 PolarHBondContact O-NZ 3.19Å; V191-K443 HydrophobicContact CG2-CB 4.45Å; H193-K443 WeakPolarHBondContact O-CE 3.3Å; H193-K443 PolarHBondContact O-NZ 3.43Å; S194-K443 PolarHBondContact O-NZ 3.48Å; V197-K443 PolarHBondContact O-NZ 2.92Å; S418-K443 WeakPolarHBondContact O-CB 3.26Å; S418-K443 VanDerWaalsContact O-CG 3.28Å; S418-K443 WeakPolarHBondContact O-CG 3.38Å; C419-K443 WeakPolarHBondContact CA-O 3.38Å; C419-K443 HydrophobicContact CB-CB 3.8Å; V420-K443 PolarHBondContact N-O 2.98Å
444L96.1Very high92.7Very high0 Ų016.7 Ų16.70%08%0.076CC..EExtended strand (participates in β ladder)trans-116.3129.7-179178.259.7000111L144 K199 I200 C201 V420 V422 L437 L446 M471L144-L444 HydrophobicContact CD1-CB 3.79Å; K199-L444 PolarHBondContact O-N 3.01Å; I200-L444 CarbonylContact C-O 3.58Å; I200-L444 WeakPolarHBondContact CA-O 3.3Å; C201-L444 PolarHBondContact N-O 3.22Å; V420-L444 HydrophobicContact CB-CD1 4.12Å; V420-L444 HydrophobicContact CG1-CD1 4.03Å; V422-L444 HydrophobicContact CG2-CD1 4.2Å; L437-L444 HydrophobicContact CD1-CD2 4.36Å; L437-L444 HydrophobicContact CD2-CD1 4.19Å; L437-L444 HydrophobicContact CD2-CD2 4.33Å; L444-L446 HydrophobicContact CD1-CD2 3.78Å; L444-L446 HydrophobicContact CD2-CD2 4.07Å; L444-L446 HydrophobicContact CD2-CG 4.33Å; L444-L446 HydrophobicContact CG-CD2 3.88Å; L444-L446 HydrophobicContact CG-CG 4.14Å; L444-M471 HydrophobicContact CD2-SD 4.13Å
445I97.8Very high92.5Very high0 Ų016.9 Ų16.90%08%0.078CC..EExtended strand (participates in β ladder)trans-120.2110.8178.4-51.2-177.3000108.1A187 M190 V191 C201 I203 L218 V420 I421 V422 V447A187-I445 HydrophobicContact CB-CD1 4.15Å; M190-I445 HydrophobicContact CE-CD1 3.85Å; M190-I445 HydrophobicContact CE-CG1 3.56Å; V191-I445 HydrophobicContact CG2-CD1 4.05Å; C201-I445 HydrophobicContact CB-CB 4.46Å; C201-I445 HydrophobicContact CB-CG1 4.14Å; C201-I445 HydrophobicContact CB-CG2 4.22Å; C201-I445 WeakPolarHBondContact O-CA 3.4Å; I203-I445 HydrophobicContact CD1-CG2 4.1Å; L218-I445 HydrophobicContact CD2-CD1 3.69Å; V420-I445 PolarHBondContact O-N 3.42Å; I421-I445 CarbonylContact C-O 3.6Å; I421-I445 WeakPolarHBondContact CA-O 3.48Å; I421-I445 HydrophobicContact CG1-CB 4.28Å; I421-I445 HydrophobicContact CG1-CD1 4.21Å; I421-I445 HydrophobicContact CG2-CB 4.43Å; V422-I445 PolarHBondContact N-O 3.02Å; I445-V447 HydrophobicContact CG2-CG2 3.88Å
446L98.3Very high92.3Very high0 Ų022.7 Ų22.70%011%0.113CC..EExtended strand (participates in β ladder)trans-100.5120.5177.2-56.8-177.2000109.4C201 L202 I203 V422 A425 T433 L444 M471 M472 F475C201-L446 PolarHBondContact O-N 3.13Å; L202-L446 HydrophobicContact CD2-CB 3.97Å; L202-L446 HydrophobicContact CD2-CD1 4Å; L202-L446 HydrophobicContact CD2-CG 4.32Å; I203-L446 PolarHBondContact N-O 3.17Å; V422-L446 HydrophobicContact CB-CD2 3.94Å; V422-L446 HydrophobicContact CG2-CD2 3.91Å; A425-L446 HydrophobicContact CB-CB 3.98Å; A425-L446 HydrophobicContact CB-CD2 4.19Å; T433-L446 HydrophobicContact CG2-CD2 3.79Å; L444-L446 HydrophobicContact CD1-CD2 3.78Å; L444-L446 HydrophobicContact CD2-CD2 4.07Å; L444-L446 HydrophobicContact CD2-CG 4.33Å; L444-L446 HydrophobicContact CG-CD2 3.88Å; L444-L446 HydrophobicContact CG-CG 4.14Å; L446-M471 HydrophobicContact CD1-CB 4.48Å; L446-M471 HydrophobicContact CD1-CG 4.19Å; L446-M471 HydrophobicContact CD1-SD 4.13Å; L446-M472 HydrophobicContact CB-CG 4.44Å; L446-M472 HydrophobicContact CD1-CB 4.25Å; L446-F475 HydrophobicContact CD1-CD2 4.1Å; L446-F475 HydrophobicContact CD1-CE2 4.2Å
447V98.4Very high92Very high0 Ų023.8 Ų23.80%012%0.12CC..EExtended strand (participates in β ladder)trans-122.9122.7-177.3-169.50000108I203 K211 I215 I421 V422 D423 E424 A425 I445I203-V447 HydrophobicContact CB-CB 4.48Å; I203-V447 HydrophobicContact CB-CG1 4.16Å; I203-V447 HydrophobicContact CB-CG2 4.16Å; I203-V447 HydrophobicContact CD1-CG2 4.09Å; I203-V447 HydrophobicContact CG1-CG2 4.47Å; I203-V447 HydrophobicContact CG2-CG1 4.2Å; K211-V447 HydrophobicContact CB-CG1 3.91Å; K211-V447 HydrophobicContact CD-CG1 4.04Å; K211-V447 HydrophobicContact CG-CG1 4.1Å; I215-V447 HydrophobicContact CD1-CB 3.93Å; I215-V447 HydrophobicContact CD1-CG1 3.94Å; I215-V447 HydrophobicContact CD1-CG2 3.99Å; I215-V447 HydrophobicContact CG1-CB 4.34Å; I215-V447 HydrophobicContact CG1-CG1 4.14Å; I215-V447 HydrophobicContact CG1-CG2 3.98Å; I421-V447 HydrophobicContact CG2-CG2 4.27Å; V422-V447 PolarHBondContact O-N 2.96Å; D423-V447 CarbonylContact C-O 3.6Å; E424-V447 PolarHBondContact N-O 3.26Å; A425-V447 PolarHBondContact N-O 2.94Å; I445-V447 HydrophobicContact CG2-CG2 3.88Å
448G96.8Very high91.7Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans176.2-164.6-171.800000113.9I203 G205 M472I203-G448 PolarHBondContact O-N 3.26Å; G205-G448 PolarHBondContact N-O 3.34Å; G448-M472 VanDerWaalsContact CA-SD 3.59Å
449D96.4Very high91.6Very high5 Ų531.4 Ų31.43%0.02716%0.164CC..  trans-141.5101.2174.9-176.68.6000111.1H204 P207 K451 Q452 Y515H204-D449 IonicContact CD2-OD1 3.91Å; H204-D449 IonicContact CE1-OD1 2.86Å; H204-D449 IonicContact NE2-OD1 3.85Å; H204-D449 PolarHBondContact NE2-OD1 2.87Å; P207-D449 WeakPolarHBondContact CD-OD2 3.33Å; D449-K451 PolarHBondContact O-N 3.09Å; D449-K451 PolarHBondContact OD1-N 2.68Å; D449-K451 VanDerWaalsContact OD1-N 3.08Å; D449-Q452 HydrophobicContact CB-CB 4.46Å; D449-Q452 PolarHBondContact O-N 3.02Å; D449-Q452 WeakPolarHBondContact OD2-CG 3.36Å; D449-Q452 PolarHBondContact OD2-NE2 3.27Å; D449-Y515 PolarHBondContact OD2-OH 3.28Å
450P94.4Very high91.4Very high15 Ų1536.6 Ų36.610%0.09719%0.189CC..THydrogen-bonded Turntrans-72.2-8.1-179.931.7-36.7000113.6A473 C476P450-A473 HydrophobicContact CB-CB 3.74Å; P450-C476 HydrophobicContact CG-CB 4.16Å
451K93.6Very high91.7Very high61 Ų6135.4 Ų35.427%0.26519%0.188SC..THydrogen-bonded Turntrans-93.12.7176.2-41.1-67.3-176.5-179.60112.2D449 E480 V514 Y515 N651D449-K451 PolarHBondContact O-N 3.09Å; D449-K451 PolarHBondContact OD1-N 2.68Å; D449-K451 VanDerWaalsContact OD1-N 3.08Å; K451-E480 WeakPolarHBondContact CE-OE1 3.45Å; K451-E480 IonicContact NZ-OE1 2.7Å; K451-E480 PolarHBondContact NZ-OE1 2.81Å; K451-E480 IonicContact NZ-OE2 2.79Å; K451-E480 PolarHBondContact NZ-OE2 2.91Å; K451-V514 HydrophobicContact CB-CG1 3.9Å; K451-Y515 HydrophobicContact CB-CE1 4.04Å; K451-Y515 HydrophobicContact CG-CE1 4.21Å; K451-N651 PolarHBondContact O-ND2 3.27Å
452Q93.3Very high92Very high14 Ų1436.7 Ų36.77%0.06520%0.199CC..SBendtrans-97-174.7166.6-88.1178.894.700111.2D449 Q648 V652D449-Q452 HydrophobicContact CB-CB 4.46Å; D449-Q452 PolarHBondContact O-N 3.02Å; D449-Q452 WeakPolarHBondContact OD2-CG 3.36Å; D449-Q452 PolarHBondContact OD2-NE2 3.27Å; Q452-Q648 VanDerWaalsContact O-CG 3.32Å; Q452-Q648 WeakPolarHBondContact O-CG 3.49Å; Q452-Q648 PolarHBondContact O-NE2 3.08Å; Q452-V652 HydrophobicContact CB-CG2 3.94Å; Q452-V652 HydrophobicContact CG-CG2 3.74Å
453L90.9Very high91.9Very high8 Ų839.2 Ų39.24%0.04221%0.21CC..PPolyproline II helixtrans-55.8133.2-177.5-90.6173000113.4V616 D617 R649 V652L453-V616 HydrophobicContact CD1-CG1 4.41Å; L453-D617 HydrophobicContact CD1-CB 4.17Å; L453-R649 HydrophobicContact CD1-CG 4.5Å; L453-R649 HydrophobicContact CD2-CG 3.69Å; L453-R649 HydrophobicContact CG-CG 4.32Å; L453-V652 HydrophobicContact CB-CG2 4.13Å; L453-V652 HydrophobicContact CD1-CG1 4.44Å; L453-V652 HydrophobicContact CD1-CG2 4.17Å; L453-V652 HydrophobicContact CG-CG2 3.95Å
454P92.2Very high91.7Very high23 Ų2345.7 Ų45.715%0.14924%0.24CC..PPolyproline II helixtrans-70.6167.4171.532-35000111.6T456 D468P454-T456 PolarHBondContact O-N 3.43Å; P454-D468 HydrophobicContact CB-CB 4.29Å; P454-D468 WeakPolarHBondContact CB-O 3.29Å
455P91.3Very high91.6Very high12 Ų1254.2 Ų54.28%0.07827%0.274CS..PPolyproline II helixtrans-53134.8166.226.3-39.3000112.1C429 V457 D468C429-P455 HydrophobicContact CB-CG 4.48Å; P455-V457 PolarHBondContact O-N 3.46Å; P455-D468 WeakPolarHBondContact CD-O 3.36Å; P455-D468 WeakPolarHBondContact CG-O 3.4Å
456T88.1Confident91.3Very high124 Ų12455.6 Ų55.676%0.76129%0.288SS*.PPolyproline II helixtrans-71.4127.1176.3-44.90000111.1P454P454-T456 PolarHBondContact O-N 3.43Å
457V87.5Confident91.1Very high22 Ų2259.8 Ų59.813%0.13331%0.305CS..  trans-113.4136177-178.30000108.8P455 A462 Y467 D468P455-V457 PolarHBondContact O-N 3.46Å; V457-A462 HydrophobicContact CG1-CB 4.07Å; V457-Y467 HydrophobicContact CG1-CD1 3.96Å; V457-Y467 HydrophobicContact CG2-CD1 3.82Å; V457-D468 HydrophobicContact CG2-CB 3.69Å
458I85.2Confident90.8Very high144 Ų14461.2 Ų61.274%0.73831%0.313SS*.SBendtrans-77.6-42-177.6-60.2174.1000111.2M460I458-M460 PolarHBondContact O-N 2.82Å
459S84.8Confident90.8Very high52 Ų5264.6 Ų64.636%0.36433%0.328SS..  trans-84.5110.9-179.7-178.40000110.9K461 A462 Q463S459-K461 PolarHBondContact O-N 3.1Å; S459-A462 WeakPolarHBondContact O-CB 3.31Å; S459-A462 PolarHBondContact O-N 2.89Å; S459-A462 PolarHBondContact OG-N 3.36Å; S459-Q463 PolarHBondContact O-N 3.35Å; S459-Q463 VanDerWaalsContact O-N 3.09Å
460M84.1Confident90.8Very high120 Ų12064.5 Ų64.559%0.59133%0.328SS*.Hα-helixtrans-54.4-41.5174-63.1-54.8-55.600111.9I458 A462 Q463 E464I458-M460 PolarHBondContact O-N 2.82Å; M460-A462 VanDerWaalsContact C-N 3.3Å; M460-A462 PolarHBondContact O-N 3.48Å; M460-Q463 CarbonylContact O-C 3.51Å; M460-Q463 WeakPolarHBondContact O-CA 3.38Å; M460-Q463 WeakPolarHBondContact O-CB 3.4Å; M460-Q463 PolarHBondContact O-N 3.39Å; M460-E464 WeakPolarHBondContact O-CG 3.07Å; M460-E464 PolarHBondContact O-N 2.99Å
461K89.3Confident90.9Very high122 Ų12263.8 Ų63.853%0.5332%0.323SS..Hα-helixtrans-63-32.3176.4-172.1167.6-175.3171.80113.4S459 Y465S459-K461 PolarHBondContact O-N 3.1Å; K461-Y465 HydrophobicContact CD-CE2 4.35Å; K461-Y465 VanDerWaalsContact CE-OH 3.26Å; K461-Y465 WeakPolarHBondContact CE-OH 3.42Å; K461-Y465 HydrophobicContact CG-CD2 4.31Å; K461-Y465 HydrophobicContact CG-CE2 3.73Å; K461-Y465 WeakPolarHBondContact O-CD2 3.38Å; K461-Y465 PolarHBondContact O-N 3.37Å
462A91.3Very high91.1Very high27 Ų2760.9 Ų60.922%0.22331%0.311CS..Hα-helixtrans-71.8-34.4171.400000111.8V457 S459 M460 Y465 G466 Y467V457-A462 HydrophobicContact CG1-CB 4.07Å; S459-A462 WeakPolarHBondContact O-CB 3.31Å; S459-A462 PolarHBondContact O-N 2.89Å; S459-A462 PolarHBondContact OG-N 3.36Å; M460-A462 VanDerWaalsContact C-N 3.3Å; M460-A462 PolarHBondContact O-N 3.48Å; A462-Y465 CarbonylContact O-C 3.56Å; A462-Y465 PolarHBondContact O-N 2.97Å; A462-G466 PolarHBondContact O-N 3.02Å; A462-Y467 HydrophobicContact CB-CG 4.37Å; A462-Y467 WeakPolarHBondContact O-CB 3.46Å; A462-Y467 PolarHBondContact O-N 2.91Å
463Q87.8Confident91.2Very high68 Ų6861.4 Ų61.432%0.31832%0.317SS..Hα-helixtrans-67.5-37.9173.4-173.4168.924.500112.3S459 M460 Y465 G466 D468S459-Q463 PolarHBondContact O-N 3.35Å; S459-Q463 VanDerWaalsContact O-N 3.09Å; M460-Q463 CarbonylContact O-C 3.51Å; M460-Q463 WeakPolarHBondContact O-CA 3.38Å; M460-Q463 WeakPolarHBondContact O-CB 3.4Å; M460-Q463 PolarHBondContact O-N 3.39Å; Q463-Y465 VanDerWaalsContact C-N 3.26Å; Q463-Y465 PolarHBondContact O-N 3.13Å; Q463-G466 WeakPolarHBondContact O-CA 3.43Å; Q463-G466 PolarHBondContact O-N 3.27Å; Q463-D468 HydrophobicContact CG-CB 4.16Å; Q463-D468 PolarHBondContact NE2-OD2 3.01Å
464E88.4Confident91.4Very high142 Ų14262.9 Ų62.966%0.66432%0.322SS*.Hα-helixtrans-58.8-35.7172.2-71.3157.5-157.300112.2M460 G466M460-E464 WeakPolarHBondContact O-CG 3.07Å; M460-E464 PolarHBondContact O-N 2.99Å; E464-G466 VanDerWaalsContact C-N 3.26Å; E464-G466 PolarHBondContact O-N 2.88Å
465Y93.4Very high91.6Very high179 Ų17961.8 Ų61.870%0.70232%0.315SS*.THydrogen-bonded Turntrans-83.611.2170.9-59.1-50.6000114.1K461 A462 Q463K461-Y465 HydrophobicContact CD-CE2 4.35Å; K461-Y465 VanDerWaalsContact CE-OH 3.26Å; K461-Y465 WeakPolarHBondContact CE-OH 3.42Å; K461-Y465 HydrophobicContact CG-CD2 4.31Å; K461-Y465 HydrophobicContact CG-CE2 3.73Å; K461-Y465 WeakPolarHBondContact O-CD2 3.38Å; K461-Y465 PolarHBondContact O-N 3.37Å; A462-Y465 CarbonylContact O-C 3.56Å; A462-Y465 PolarHBondContact O-N 2.97Å; Q463-Y465 VanDerWaalsContact C-N 3.26Å; Q463-Y465 PolarHBondContact O-N 3.13Å
466G91.8Very high91.7Very high30 Ų3061.3 Ų61.331%0.30931%0.312SS..THydrogen-bonded Turntrans77.220.3173.700000116A462 Q463 E464 D468 Q469A462-G466 PolarHBondContact O-N 3.02Å; Q463-G466 WeakPolarHBondContact O-CA 3.43Å; Q463-G466 PolarHBondContact O-N 3.27Å; E464-G466 VanDerWaalsContact C-N 3.26Å; E464-G466 PolarHBondContact O-N 2.88Å; G466-D468 PolarHBondContact O-N 2.72Å; G466-Q469 VanDerWaalsContact O-CB 3.23Å; G466-Q469 WeakPolarHBondContact O-CB 3.03Å; G466-Q469 PolarHBondContact O-N 2.75Å
467Y94.4Very high91.9Very high88 Ų8860.2 Ų60.235%0.34529%0.294SS..THydrogen-bonded Turntrans-64.7-17.5179.1-169.4-89.6000113.8C429 I431 V457 A462 Q469C429-Y467 HydrophobicContact CB-CE1 4.32Å; C429-Y467 PolarHBondContact SG-O 3.12Å; C429-Y467 VanDerWaalsContact SG-O 3.33Å; I431-Y467 HydrophobicContact CD1-CD2 4.43Å; I431-Y467 HydrophobicContact CD1-CE2 3.69Å; V457-Y467 HydrophobicContact CG1-CD1 3.96Å; V457-Y467 HydrophobicContact CG2-CD1 3.82Å; A462-Y467 HydrophobicContact CB-CG 4.37Å; A462-Y467 WeakPolarHBondContact O-CB 3.46Å; A462-Y467 PolarHBondContact O-N 2.91Å; Y467-Q469 VanDerWaalsContact C-N 3.3Å
468D92.9Very high92.1Very high30 Ų3061.4 Ų61.416%0.1630%0.299CS..THydrogen-bonded Turntrans-80.4-7.2171.672.1-27.6000113.2P454 P455 V457 Q463 G466 S470P454-D468 HydrophobicContact CB-CB 4.29Å; P454-D468 WeakPolarHBondContact CB-O 3.29Å; P455-D468 WeakPolarHBondContact CD-O 3.36Å; P455-D468 WeakPolarHBondContact CG-O 3.4Å; V457-D468 HydrophobicContact CG2-CB 3.69Å; Q463-D468 HydrophobicContact CG-CB 4.16Å; Q463-D468 PolarHBondContact NE2-OD2 3.01Å; G466-D468 PolarHBondContact O-N 2.72Å; D468-S470 PolarHBondContact O-N 2.92Å
469Q94.8Very high92.4Very high71 Ų7154.7 Ų54.733%0.33227%0.265SS..  trans-68.8123.6175.3-165.5161.4120.700110.5E430 G466 Y467 A473 R474E430-Q469 PolarHBondContact N-O 2.91Å; G466-Q469 VanDerWaalsContact O-CB 3.23Å; G466-Q469 WeakPolarHBondContact O-CB 3.03Å; G466-Q469 PolarHBondContact O-N 2.75Å; Y467-Q469 VanDerWaalsContact C-N 3.3Å; Q469-A473 HydrophobicContact CG-CB 4.42Å; Q469-R474 HydrophobicContact CG-CB 4.25Å; Q469-R474 VanDerWaalsContact OE1-CB 3.3Å
470S97.2Very high92.6Very high3 Ų354.9 Ų54.92%0.02126%0.26CS..  trans-80.6148.5171.560.50000111.2G426 S428 D468 M472 A473 R474G426-S470 VanDerWaalsContact O-CB 3.29Å; G426-S470 WeakPolarHBondContact O-CB 3.33Å; G426-S470 PolarHBondContact O-OG 3.16Å; G426-S470 VanDerWaalsContact O-OG 3.07Å; S428-S470 WeakPolarHBondContact O-CA 3.34Å; S428-S470 WeakPolarHBondContact O-CB 3.37Å; D468-S470 PolarHBondContact O-N 2.92Å; S470-M472 PolarHBondContact O-N 2.96Å; S470-A473 PolarHBondContact O-N 2.85Å; S470-A473 VanDerWaalsContact OG-CB 3.31Å; S470-A473 WeakPolarHBondContact OG-CB 3.43Å; S470-A473 PolarHBondContact OG-N 2.86Å; S470-R474 PolarHBondContact O-N 3.21Å
471M96.8Very high92.8Very high0 Ų052.2 Ų52.20%025%0.246CC..Hα-helixtrans-54.3-38.7175.8-174.9-175.1-73.300111.4V148 E430 T433 L434 L444 L446 R474 F475V148-M471 HydrophobicContact CG1-CE 3.86Å; V148-M471 HydrophobicContact CG2-CE 4.11Å; V148-M471 HydrophobicContact CG2-SD 4.38Å; E430-M471 HydrophobicContact CB-CB 4.15Å; E430-M471 HydrophobicContact CG-CB 3.93Å; E430-M471 HydrophobicContact CG-CE 3.88Å; E430-M471 HydrophobicContact CG-CG 4.35Å; E430-M471 WeakPolarHBondContact OE2-CA 3.46Å; T433-M471 HydrophobicContact CG2-CB 4.3Å; T433-M471 HydrophobicContact CG2-CE 3.94Å; T433-M471 HydrophobicContact CG2-SD 3.65Å; L434-M471 HydrophobicContact CD2-CE 3.58Å; L434-M471 HydrophobicContact CG-CE 4.4Å; L444-M471 HydrophobicContact CD2-SD 4.13Å; L446-M471 HydrophobicContact CD1-CB 4.48Å; L446-M471 HydrophobicContact CD1-CG 4.19Å; L446-M471 HydrophobicContact CD1-SD 4.13Å; M471-R474 PolarHBondContact O-N 3.42Å; M471-F475 HydrophobicContact CG-CD2 3.83Å; M471-F475 HydrophobicContact CG-CE1 4.36Å; M471-F475 HydrophobicContact CG-CE2 3.29Å; M471-F475 HydrophobicContact CG-CZ 3.6Å; M471-F475 WeakPolarHBondContact O-CD2 3.37Å; M471-F475 WeakPolarHBondContact O-CG 3.43Å; M471-F475 PolarHBondContact O-N 2.86Å; M471-F475 HydrophobicContact SD-CE2 3.56Å; M471-F475 VanDerWaalsContact SD-CE2 3.56Å; M471-F475 HydrophobicContact SD-CZ 3.87Å
472M96.8Very high92.6Very high0 Ų048 Ų480%023%0.23CC..Hα-helixtrans-62.9-45.6175.3-170.9-177.8-174.400111.8I203 H204 A425 L446 G448 S470 C476I203-M472 WeakPolarHBondContact O-CE 3.3Å; H204-M472 HydrophobicContact CB-CE 4.43Å; A425-M472 HydrophobicContact CB-CB 4.28Å; A425-M472 HydrophobicContact CB-SD 4.1Å; L446-M472 HydrophobicContact CB-CG 4.44Å; L446-M472 HydrophobicContact CD1-CB 4.25Å; G448-M472 VanDerWaalsContact CA-SD 3.59Å; S470-M472 PolarHBondContact O-N 2.96Å; M472-C476 WeakPolarHBondContact O-CB 3.26Å; M472-C476 PolarHBondContact O-N 2.68Å; M472-C476 PolarHBondContact O-SG 3.45Å
473A95.9Very high92.2Very high24 Ų2449.1 Ų49.120%0.19823%0.233CC..Hα-helixtrans-64.2-42.2177.800000112.1P450 Q469 S470 C476 R477P450-A473 HydrophobicContact CB-CB 3.74Å; Q469-A473 HydrophobicContact CG-CB 4.42Å; S470-A473 PolarHBondContact O-N 2.85Å; S470-A473 VanDerWaalsContact OG-CB 3.31Å; S470-A473 WeakPolarHBondContact OG-CB 3.43Å; S470-A473 PolarHBondContact OG-N 2.86Å; A473-C476 PolarHBondContact O-N 2.98Å; A473-R477 WeakPolarHBondContact O-CB 3.31Å; A473-R477 PolarHBondContact O-N 3.01Å
474R96.3Very high91.9Very high39 Ų3953 Ų5315%0.14725%0.251CS..Hα-helixtrans-59.6-50.5175.8-173.2171.563.189.1-6.9111.8V148 E430 Q469 S470 M471 R477 L478V148-R474 PolarHBondContact O-NH1 3.46Å; V148-R474 PolarHBondContact O-NH2 3.47Å; E430-R474 VanDerWaalsContact CD-NH2 3.3Å; E430-R474 IonicContact OE1-CZ 2.77Å; E430-R474 IonicContact OE1-NE 2.73Å; E430-R474 PolarHBondContact OE1-NE 2.77Å; E430-R474 IonicContact OE1-NH2 2.7Å; E430-R474 PolarHBondContact OE1-NH2 2.9Å; E430-R474 IonicContact OE2-CZ 3.9Å; E430-R474 IonicContact OE2-NE 3.18Å; E430-R474 PolarHBondContact OE2-NE 2.99Å; E430-R474 IonicContact OE2-NH2 2.66Å; E430-R474 PolarHBondContact OE2-NH2 3.43Å; Q469-R474 HydrophobicContact CG-CB 4.25Å; Q469-R474 VanDerWaalsContact OE1-CB 3.3Å; S470-R474 PolarHBondContact O-N 3.21Å; M471-R474 PolarHBondContact O-N 3.42Å; R474-R477 PolarHBondContact O-N 2.81Å; R474-L478 HydrophobicContact CG-CD1 3.87Å; R474-L478 HydrophobicContact CG-CG 4.5Å; R474-L478 WeakPolarHBondContact O-CB 3.32Å; R474-L478 VanDerWaalsContact O-CG 3.3Å; R474-L478 WeakPolarHBondContact O-CG 3.43Å; R474-L478 PolarHBondContact O-N 2.86Å
475F95.9Very high91.6Very high1 Ų152.8 Ų52.80%0.00425%0.25CS..Hα-helixtrans-64.7-41178.4-64.9-30.4000112.5V148 P151 F156 I200 L202 L446 M471 L478 L479V148-F475 HydrophobicContact CG2-CZ 4.41Å; P151-F475 HydrophobicContact CB-CD1 4.02Å; P151-F475 HydrophobicContact CB-CE1 3.88Å; P151-F475 HydrophobicContact CG-CD1 4.14Å; P151-F475 HydrophobicContact CG-CE1 4.08Å; F156-F475 HydrophobicContact CE1-CB 4.02Å; F156-F475 HydrophobicContact CE1-CD1 4.42Å; F156-F475 AromaticContact CE1-CD2 3.86Å; F156-F475 HydrophobicContact CE1-CD2 3.86Å; F156-F475 HydrophobicContact CE1-CE2 4.36Å; F156-F475 AromaticContact CE1-CG 3.88Å; F156-F475 HydrophobicContact CE1-CG 3.88Å; F156-F475 HydrophobicContact CZ-CB 4.02Å; F156-F475 AromaticContact CZ-CD1 3.85Å; F156-F475 HydrophobicContact CZ-CD1 3.85Å; F156-F475 HydrophobicContact CZ-CD2 4.1Å; F156-F475 HydrophobicContact CZ-CE1 4.28Å; F156-F475 HydrophobicContact CZ-CE2 4.5Å; F156-F475 AromaticContact CZ-CG 3.75Å; F156-F475 HydrophobicContact CZ-CG 3.75Å; I200-F475 HydrophobicContact CD1-CE2 3.74Å; I200-F475 HydrophobicContact CD1-CZ 3.83Å; I200-F475 HydrophobicContact CG2-CE2 4.36Å; L202-F475 HydrophobicContact CD1-CB 3.94Å; L202-F475 HydrophobicContact CD2-CD2 4.19Å; L446-F475 HydrophobicContact CD1-CD2 4.1Å; L446-F475 HydrophobicContact CD1-CE2 4.2Å; M471-F475 HydrophobicContact CG-CD2 3.83Å; M471-F475 HydrophobicContact CG-CE1 4.36Å; M471-F475 HydrophobicContact CG-CE2 3.29Å; M471-F475 HydrophobicContact CG-CZ 3.6Å; M471-F475 WeakPolarHBondContact O-CD2 3.37Å; M471-F475 WeakPolarHBondContact O-CG 3.43Å; M471-F475 PolarHBondContact O-N 2.86Å; M471-F475 HydrophobicContact SD-CE2 3.56Å; M471-F475 VanDerWaalsContact SD-CE2 3.56Å; M471-F475 HydrophobicContact SD-CZ 3.87Å; F475-L478 PolarHBondContact O-N 3.34Å; F475-L479 WeakPolarHBondContact O-CB 3.31Å; F475-L479 WeakPolarHBondContact O-CD1 3.48Å; F475-L479 WeakPolarHBondContact O-CG 3.35Å; F475-L479 PolarHBondContact O-N 2.85Å
476C93.7Very high90.9Very high2 Ų251.4 Ų51.41%0.01426%0.255CS..Hα-helixtrans-61.8-47.2178.1-65.80000111P450 M472 A473 L479 E480 I493P450-C476 HydrophobicContact CG-CB 4.16Å; M472-C476 WeakPolarHBondContact O-CB 3.26Å; M472-C476 PolarHBondContact O-N 2.68Å; M472-C476 PolarHBondContact O-SG 3.45Å; A473-C476 PolarHBondContact O-N 2.98Å; C476-L479 PolarHBondContact O-N 2.83Å; C476-E480 WeakPolarHBondContact O-CB 3.45Å; C476-E480 VanDerWaalsContact O-CG 3.25Å; C476-E480 WeakPolarHBondContact O-CG 3.25Å; C476-E480 PolarHBondContact O-N 3.11Å; C476-I493 HydrophobicContact CB-CD1 3.97Å
477R92.7Very high89.9Confident101 Ų10156.5 Ų56.538%0.38127%0.272SS..Hα-helixtrans-58.4-51176.5-179.8-179.966.179.21.5112.1A473 R474 L479 E480 E481A473-R477 WeakPolarHBondContact O-CB 3.31Å; A473-R477 PolarHBondContact O-N 3.01Å; R474-R477 PolarHBondContact O-N 2.81Å; R477-L479 PolarHBondContact O-N 2.78Å; R477-E480 PolarHBondContact O-N 2.87Å; R477-E481 WeakPolarHBondContact CD-OE1 2.87Å; R477-E481 HydrophobicContact CG-CG 4.34Å; R477-E481 WeakPolarHBondContact CG-OE1 3.43Å; R477-E481 IonicContact CZ-OE1 2.79Å; R477-E481 IonicContact CZ-OE2 2.67Å; R477-E481 IonicContact NE-OE1 3.34Å; R477-E481 IonicContact NH1-OE1 3.23Å; R477-E481 PolarHBondContact NH1-OE1 3.39Å; R477-E481 IonicContact NH1-OE2 2.96Å; R477-E481 PolarHBondContact NH1-OE2 3.35Å; R477-E481 WeakPolarHBondContact O-CB 3.24Å; R477-E481 WeakPolarHBondContact O-CG 3.35Å; R477-E481 PolarHBondContact O-N 2.81Å
478L91.7Very high88.9Confident47 Ų4753.9 Ų53.925%0.24626%0.264CS..Hα-helixtrans-61.3-32.3-179.9-70.1169.6000112.4P151 R474 F475 N482P151-L478 HydrophobicContact CG-CD1 3.78Å; R474-L478 HydrophobicContact CG-CD1 3.87Å; R474-L478 HydrophobicContact CG-CG 4.5Å; R474-L478 WeakPolarHBondContact O-CB 3.32Å; R474-L478 VanDerWaalsContact O-CG 3.3Å; R474-L478 WeakPolarHBondContact O-CG 3.43Å; R474-L478 PolarHBondContact O-N 2.86Å; F475-L478 PolarHBondContact O-N 3.34Å; L478-N482 WeakPolarHBondContact O-CB 3.37Å; L478-N482 VanDerWaalsContact O-CG 3.28Å; L478-N482 PolarHBondContact O-N 2.93Å; L478-N482 VanDerWaalsContact O-N 3.11Å; L478-N482 PolarHBondContact O-ND2 2.94Å
479L90.7Very high87.7Confident3 Ų358.5 Ų58.52%0.01630%0.299CS..Hα-helixtrans-80.4-33177.2-68.8168.8000112.7P153 F156 L202 F475 C476 R477 V483 I488 L491 P492 I493P153-L479 HydrophobicContact CB-CD2 4.33Å; P153-L479 HydrophobicContact CG-CD2 4.35Å; F156-L479 HydrophobicContact CD1-CD1 4.01Å; F156-L479 HydrophobicContact CD2-CD1 4Å; F156-L479 HydrophobicContact CD2-CD2 3.94Å; F156-L479 HydrophobicContact CD2-CG 4.46Å; F156-L479 HydrophobicContact CE1-CD1 4.13Å; F156-L479 HydrophobicContact CE2-CD1 4.13Å; F156-L479 HydrophobicContact CE2-CD2 4.14Å; F156-L479 HydrophobicContact CE2-CG 4.42Å; F156-L479 HydrophobicContact CG-CD1 3.95Å; F156-L479 HydrophobicContact CZ-CD1 4.19Å; L202-L479 HydrophobicContact CD1-CD1 3.55Å; F475-L479 WeakPolarHBondContact O-CB 3.31Å; F475-L479 WeakPolarHBondContact O-CD1 3.48Å; F475-L479 WeakPolarHBondContact O-CG 3.35Å; F475-L479 PolarHBondContact O-N 2.85Å; C476-L479 PolarHBondContact O-N 2.83Å; R477-L479 PolarHBondContact O-N 2.78Å; L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 2.79Å; L479-I488 HydrophobicContact CD2-CD1 4.32Å; L479-L491 VanDerWaalsContact C-CD1 3.47Å; L479-L491 HydrophobicContact CB-CD1 3.9Å; L479-L491 VanDerWaalsContact O-CD1 3.3Å; L479-L491 WeakPolarHBondContact O-CD1 3.44Å; L479-P492 HydrophobicContact CD1-CG 3.98Å; L479-P492 HydrophobicContact CD2-CG 3.71Å; L479-P492 HydrophobicContact CG-CG 4.36Å; L479-I493 HydrophobicContact CB-CD1 4.28Å; L479-I493 HydrophobicContact CD1-CD1 4.47Å; L479-I493 HydrophobicContact CD1-CG1 4.17Å
480E88.8Confident86.8Confident56 Ų5664.7 Ų64.726%0.26232%0.319SS..Hα-helixtrans-60.6-52.4168.9-72.5167.8170.100109.5K451 C476 R477 N482 V483 E484 L491K451-E480 WeakPolarHBondContact CE-OE1 3.45Å; K451-E480 IonicContact NZ-OE1 2.7Å; K451-E480 PolarHBondContact NZ-OE1 2.81Å; K451-E480 IonicContact NZ-OE2 2.79Å; K451-E480 PolarHBondContact NZ-OE2 2.91Å; C476-E480 WeakPolarHBondContact O-CB 3.45Å; C476-E480 VanDerWaalsContact O-CG 3.25Å; C476-E480 WeakPolarHBondContact O-CG 3.25Å; C476-E480 PolarHBondContact O-N 3.11Å; R477-E480 PolarHBondContact O-N 2.87Å; E480-N482 PolarHBondContact O-N 3.42Å; E480-V483 PolarHBondContact O-N 2.86Å; E480-V483 VanDerWaalsContact O-N 3.09Å; E480-E484 PolarHBondContact O-N 3Å; E480-E484 VanDerWaalsContact O-N 3.13Å; E480-L491 HydrophobicContact CG-CD1 4.32Å
481E88.4Confident86.1Confident63 Ų6367.9 Ų67.929%0.29434%0.335SS..Hα-helixtrans-58.5-41.8177.7-71.2164.5176.900113.2R477 V483 E484 H485R477-E481 WeakPolarHBondContact CD-OE1 2.87Å; R477-E481 HydrophobicContact CG-CG 4.34Å; R477-E481 WeakPolarHBondContact CG-OE1 3.43Å; R477-E481 IonicContact CZ-OE1 2.79Å; R477-E481 IonicContact CZ-OE2 2.67Å; R477-E481 IonicContact NE-OE1 3.34Å; R477-E481 IonicContact NH1-OE1 3.23Å; R477-E481 PolarHBondContact NH1-OE1 3.39Å; R477-E481 IonicContact NH1-OE2 2.96Å; R477-E481 PolarHBondContact NH1-OE2 3.35Å; R477-E481 WeakPolarHBondContact O-CB 3.24Å; R477-E481 WeakPolarHBondContact O-CG 3.35Å; R477-E481 PolarHBondContact O-N 2.81Å; E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.1Å; E481-E484 PolarHBondContact O-N 2.81Å; E481-H485 PolarHBondContact O-CD2 3.24Å; E481-H485 VanDerWaalsContact O-CD2 3.24Å; E481-H485 PolarHBondContact O-N 2.85Å
482N84.6Confident85.6Confident35 Ų3568.2 Ų68.219%0.18734%0.338CS..Hα-helixtrans-67.4-23.6177.5-82.2-55.8000113.6L478 E480 M487 I488L478-N482 WeakPolarHBondContact O-CB 3.37Å; L478-N482 VanDerWaalsContact O-CG 3.28Å; L478-N482 PolarHBondContact O-N 2.93Å; L478-N482 VanDerWaalsContact O-N 3.11Å; L478-N482 PolarHBondContact O-ND2 2.94Å; E480-N482 PolarHBondContact O-N 3.42Å; N482-M487 WeakPolarHBondContact O-CB 3.42Å; N482-M487 PolarHBondContact O-N 3.15Å; N482-M487 PolarHBondContact OD1-SD 2.88Å; N482-M487 VanDerWaalsContact OD1-SD 3.42Å; N482-I488 HydrophobicContact CB-CD1 3.91Å; N482-I488 HydrophobicContact CB-CG1 3.92Å; N482-I488 PolarHBondContact O-N 3.25Å
483V83.1Confident85.3Confident49 Ų4969.2 Ų69.230%0.29734%0.343SS..Hα-helixtrans-77.7-43.7171173.50000110.3L479 E480 E481 H485 N486 I488 L491L479-V483 WeakPolarHBondContact O-CG2 3.4Å; L479-V483 PolarHBondContact O-N 2.79Å; E480-V483 PolarHBondContact O-N 2.86Å; E480-V483 VanDerWaalsContact O-N 3.09Å; E481-V483 VanDerWaalsContact C-N 3.27Å; E481-V483 PolarHBondContact O-N 3.1Å; V483-H485 VanDerWaalsContact C-N 3.29Å; V483-H485 PolarHBondContact O-N 3.22Å; V483-N486 WeakPolarHBondContact O-CA 3.41Å; V483-N486 PolarHBondContact O-N 2.79Å; V483-I488 HydrophobicContact CG2-CD1 3.84Å; V483-I488 HydrophobicContact CG2-CG1 3.76Å; V483-L491 HydrophobicContact CG2-CB 4.07Å; V483-L491 HydrophobicContact CG2-CD1 3.97Å
484E81.3Confident85.2Confident149 Ų14969 Ų6970%0.69634%0.338SS*.Hα-helixtrans-61.5-36.4178.8-68.3179.3179.500112.3E480 E481 N486E480-E484 PolarHBondContact O-N 3Å; E480-E484 VanDerWaalsContact O-N 3.13Å; E481-E484 PolarHBondContact O-N 2.81Å; E484-N486 PolarHBondContact O-N 3.07Å
485H83.5Confident85.1Confident139 Ų13969.7 Ų69.764%0.64434%0.343SS*.THydrogen-bonded Turntrans-80.811.9172.2-67.1-55.6000114.6E481 V483 M487E481-H485 PolarHBondContact O-CD2 3.24Å; E481-H485 VanDerWaalsContact O-CD2 3.24Å; E481-H485 PolarHBondContact O-N 2.85Å; V483-H485 VanDerWaalsContact C-N 3.29Å; V483-H485 PolarHBondContact O-N 3.22Å; H485-M487 HydrophobicContact CB-CG 4.1Å; H485-M487 HydrophobicContact CB-SD 4.47Å; H485-M487 PolarHBondContact O-N 2.96Å
486N76.9Confident85.2Confident149 Ų14969.6 Ų69.680%0.79734%0.343SS*.THydrogen-bonded Turntrans56.316.6-178.8-66.8-70.2000115.6V483 E484 I488V483-N486 WeakPolarHBondContact O-CA 3.41Å; V483-N486 PolarHBondContact O-N 2.79Å; E484-N486 PolarHBondContact O-N 3.07Å; N486-I488 VanDerWaalsContact C-N 3.27Å; N486-I488 PolarHBondContact O-N 3.5Å
487M71.5Confident85.4Confident137 Ų13770.8 Ų70.868%0.67535%0.35SS*.SBendtrans-73-21.2-179.9-57.7-173.77200112.5N482 H485N482-M487 WeakPolarHBondContact O-CB 3.42Å; N482-M487 PolarHBondContact O-N 3.15Å; N482-M487 PolarHBondContact OD1-SD 2.88Å; N482-M487 VanDerWaalsContact OD1-SD 3.42Å; H485-M487 HydrophobicContact CB-CG 4.1Å; H485-M487 HydrophobicContact CB-SD 4.47Å; H485-M487 PolarHBondContact O-N 2.96Å
488I74.6Confident85.6Confident33 Ų3367.4 Ų67.417%0.16934%0.341CS..  trans-141.1131174.445.3171.2000112P153 L479 N482 V483 N486 R490P153-I488 HydrophobicContact CB-CD1 4.13Å; P153-I488 HydrophobicContact CB-CG2 3.64Å; P153-I488 HydrophobicContact CG-CD1 4.16Å; P153-I488 HydrophobicContact CG-CG2 3.83Å; L479-I488 HydrophobicContact CD2-CD1 4.32Å; N482-I488 HydrophobicContact CB-CD1 3.91Å; N482-I488 HydrophobicContact CB-CG1 3.92Å; N482-I488 PolarHBondContact O-N 3.25Å; V483-I488 HydrophobicContact CG2-CD1 3.84Å; V483-I488 HydrophobicContact CG2-CG1 3.76Å; N486-I488 VanDerWaalsContact C-N 3.27Å; N486-I488 PolarHBondContact O-N 3.5Å; I488-R490 VanDerWaalsContact C-N 3.26Å; I488-R490 PolarHBondContact O-N 3.35Å
489S67.4Low85.9Confident128 Ų12865.2 Ų65.290%0.89533%0.329SS*.SBendtrans-76-6.3-176.9-340000114.8
490R75.1Confident86.2Confident200 Ų20069 Ų6976%0.75534%0.343SS*.SBendtrans-150135.4179.6-67.5-171.8178.5-177.3-1.1110.8I488 P492I488-R490 VanDerWaalsContact C-N 3.26Å; I488-R490 PolarHBondContact O-N 3.35Å; R490-P492 WeakPolarHBondContact O-CD 3.46Å
491L82.6Confident86.5Confident70 Ų7067.6 Ų67.637%0.36634%0.336SS..  trans-73118175.3-171.966.8000110.7L479 E480 V483 I493L479-L491 VanDerWaalsContact C-CD1 3.47Å; L479-L491 HydrophobicContact CB-CD1 3.9Å; L479-L491 VanDerWaalsContact O-CD1 3.3Å; L479-L491 WeakPolarHBondContact O-CD1 3.44Å; E480-L491 HydrophobicContact CG-CD1 4.32Å; V483-L491 HydrophobicContact CG2-CB 4.07Å; V483-L491 HydrophobicContact CG2-CD1 3.97Å; L491-I493 HydrophobicContact CD1-CD1 3.82Å; L491-I493 HydrophobicContact CD1-CG1 4.19Å; L491-I493 HydrophobicContact CD2-CB 4.31Å; L491-I493 HydrophobicContact CD2-CD1 4.07Å; L491-I493 HydrophobicContact CD2-CG1 4.41Å; L491-I493 HydrophobicContact CG-CB 4.1Å; L491-I493 HydrophobicContact CG-CD1 3.9Å; L491-I493 HydrophobicContact CG-CG1 3.92Å; L491-I493 PolarHBondContact O-N 2.67Å
492P86.3Confident86.9Confident8 Ų864.6 Ų64.65%0.05232%0.322CS..  trans-84.952.1-178.834.2-32.9000112.1F156 T158 L479 R490F156-P492 HydrophobicContact CB-CB 3.89Å; F156-P492 HydrophobicContact CB-CG 3.91Å; T158-P492 HydrophobicContact CG2-CB 3.88Å; T158-P492 HydrophobicContact CG2-CG 4.48Å; L479-P492 HydrophobicContact CD1-CG 3.98Å; L479-P492 HydrophobicContact CD2-CG 3.71Å; L479-P492 HydrophobicContact CG-CG 4.36Å; R490-P492 WeakPolarHBondContact O-CD 3.46Å
493I91.4Very high87.6Confident21 Ų2163.4 Ų63.411%0.10832%0.315CS..  trans-124.2124.4177.4-56.4177000108.1L202 H204 C476 L479 L491 Q495L202-I493 HydrophobicContact CB-CG1 4.46Å; L202-I493 HydrophobicContact CB-CG2 4.35Å; L202-I493 HydrophobicContact CD1-CG1 4.08Å; H204-I493 HydrophobicContact CB-CG2 3.78Å; C476-I493 HydrophobicContact CB-CD1 3.97Å; L479-I493 HydrophobicContact CB-CD1 4.28Å; L479-I493 HydrophobicContact CD1-CD1 4.47Å; L479-I493 HydrophobicContact CD1-CG1 4.17Å; L491-I493 HydrophobicContact CD1-CD1 3.82Å; L491-I493 HydrophobicContact CD1-CG1 4.19Å; L491-I493 HydrophobicContact CD2-CB 4.31Å; L491-I493 HydrophobicContact CD2-CD1 4.07Å; L491-I493 HydrophobicContact CD2-CG1 4.41Å; L491-I493 HydrophobicContact CG-CB 4.1Å; L491-I493 HydrophobicContact CG-CD1 3.9Å; L491-I493 HydrophobicContact CG-CG1 3.92Å; L491-I493 PolarHBondContact O-N 2.67Å; I493-Q495 PolarHBondContact O-N 2.84Å; I493-Q495 VanDerWaalsContact O-N 3.15Å
494L93.8Very high88.2Confident19 Ų1962.4 Ų62.410%0.09931%0.31CS..EExtended strand (participates in β ladder)trans-87.785.3-178.1-58.1167.2000108.4K182 A183 T186 C201 L202 I203 H204K182-L494 HydrophobicContact CD-CD2 4.47Å; K182-L494 HydrophobicContact CG-CD2 4.46Å; A183-L494 HydrophobicContact CB-CB 4.35Å; T186-L494 HydrophobicContact CG2-CD1 3.89Å; T186-L494 HydrophobicContact CG2-CD2 4.41Å; C201-L494 VanDerWaalsContact SG-CD1 3.58Å; L202-L494 WeakPolarHBondContact O-CB 3.5Å; L202-L494 PolarHBondContact O-N 3.06Å; I203-L494 WeakPolarHBondContact CA-O 3.42Å; I203-L494 HydrophobicContact CG1-CB 4.32Å; I203-L494 HydrophobicContact CG1-CD1 4.39Å; H204-L494 PolarHBondContact N-O 2.88Å
495Q94.3Very high88.9Confident53 Ų5358.1 Ų58.125%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-77.6127.4-178.8-172.5179.70.600111.4H204 I493 T497H204-Q495 WeakPolarHBondContact O-CA 3.48Å; I493-Q495 PolarHBondContact O-N 2.84Å; I493-Q495 VanDerWaalsContact O-N 3.15Å; Q495-T497 HydrophobicContact CG-CG2 4.43Å
496L97.3Very high89.6Confident0 Ų051.6 Ų51.60%026%0.262CS..  trans-87.9119.6170-51.6-179.5000109.1D179 Q180 A183 I203 H204 P206 T209D179-L496 HydrophobicContact CB-CD2 3.95Å; Q180-L496 HydrophobicContact CG-CD2 4Å; A183-L496 HydrophobicContact CB-CD2 4.17Å; I203-L496 HydrophobicContact CG2-CD1 4.14Å; I203-L496 HydrophobicContact CG2-CD2 4.33Å; I203-L496 HydrophobicContact CG2-CG 4.11Å; H204-L496 PolarHBondContact O-N 3.46Å; P206-L496 WeakPolarHBondContact CD-O 3.25Å; T209-L496 HydrophobicContact CG2-CB 4.37Å; T209-L496 WeakPolarHBondContact CG2-O 3.37Å
497T97.1Very high90.6Very high26 Ų2644.7 Ų44.716%0.1623%0.225CC..  trans-102.4-21.9-170.773.30000114.1D179 Q495 N518 L519 K520D179-T497 WeakPolarHBondContact OD2-CA 3.5Å; D179-T497 VanDerWaalsContact OD2-CB 3.29Å; D179-T497 WeakPolarHBondContact OD2-CB 3.23Å; D179-T497 PolarHBondContact OD2-N 2.82Å; D179-T497 PolarHBondContact OD2-OG1 3.43Å; Q495-T497 HydrophobicContact CG-CG2 4.43Å; T497-N518 WeakPolarHBondContact CB-O 3.42Å; T497-L519 CarbonylContact O-C 3.58Å; T497-L519 WeakPolarHBondContact O-CA 3.41Å; T497-K520 PolarHBondContact O-N 3.21Å
498V98Very high91.8Very high31 Ų3141.4 Ų41.419%0.18821%0.209CC..EExtended strand (participates in β ladder)trans-99.2124.1-176-176.30000112T209 Y500 K520 N522T209-V498 WeakPolarHBondContact CA-O 3.17Å; V498-Y500 HydrophobicContact CB-CE2 4.42Å; V498-Y500 HydrophobicContact CG1-CE2 4.08Å; V498-Y500 WeakPolarHBondContact O-CE2 3.38Å; V498-K520 CarbonylContact C-O 3.52Å; V498-K520 WeakPolarHBondContact CA-O 3.38Å; V498-N522 HydrophobicContact CG1-CB 3.75Å
499Q97.3Very high92.8Very high0 Ų040.4 Ų40.40%020%0.204CC..EExtended strand (participates in β ladder)trans-108.4146.1-179.473.481.719.500114.1T209 M502 L519 K520 T521 N522T209-Q499 HydrophobicContact CG2-CB 4.12Å; Q499-M502 HydrophobicContact CG-CE 4.14Å; Q499-M502 PolarHBondContact NE2-O 2.75Å; Q499-L519 HydrophobicContact CB-CD1 3.95Å; Q499-L519 HydrophobicContact CG-CD1 4.19Å; Q499-L519 HydrophobicContact CG-CG 4.25Å; Q499-K520 PolarHBondContact N-O 3.3Å; Q499-T521 PolarHBondContact NE2-OG1 3.27Å; Q499-N522 PolarHBondContact O-N 3.28Å
500Y97Very high94.1Very high82 Ų8234.3 Ų34.332%0.32216%0.161SC..SBendtrans-121.919.3-171.4-57.2-98.6000113.1N177 G208 V498 N522 T525N177-Y500 PolarHBondContact ND2-OH 3.22Å; G208-Y500 PolarHBondContact O-N 2.68Å; V498-Y500 HydrophobicContact CB-CE2 4.42Å; V498-Y500 HydrophobicContact CG1-CE2 4.08Å; V498-Y500 WeakPolarHBondContact O-CE2 3.38Å; Y500-N522 HydrophobicContact CD1-CB 3.63Å; Y500-N522 HydrophobicContact CE1-CB 3.64Å; Y500-N522 WeakPolarHBondContact CE1-ND2 3.47Å; Y500-N522 HydrophobicContact CG-CB 4.29Å; Y500-T525 WeakPolarHBondContact CA-OG1 3.38Å
501R95.7Very high95.2Very high28 Ų2825.1 Ų25.111%0.10613%0.128CC..SBendtrans-108.5-61.8-175.4174.7-176-77.8179.4-3.7112.4R529 T655 K658R501-R529 PolarHBondContact O-NE 3.23Å; R501-R529 PolarHBondContact O-NH2 3.49Å; R501-T655 VanDerWaalsContact CD-O 3.28Å; R501-T655 WeakPolarHBondContact CD-O 3.17Å; R501-T655 PolarHBondContact NH1-O 2.95Å; R501-K658 HydrophobicContact CG-CG 3.85Å
502M97.1Very high95.8Very high0 Ų025 Ų250%013%0.128CC..SBendtrans-96.5150.8-158.2-53.9179.1-73.700112.4Q499 I506 C507 L519 T655 A657 K658Q499-M502 HydrophobicContact CG-CE 4.14Å; Q499-M502 PolarHBondContact NE2-O 2.75Å; M502-I506 HydrophobicContact CB-CB 4.32Å; M502-I506 HydrophobicContact CB-CG2 4.38Å; M502-I506 HydrophobicContact SD-CG2 4.19Å; M502-C507 HydrophobicContact CB-CB 4.31Å; M502-C507 HydrophobicContact CE-CB 3.98Å; M502-L519 HydrophobicContact CE-CD2 4.19Å; M502-T655 HydrophobicContact CE-CG2 4.3Å; M502-T655 HydrophobicContact SD-CG2 3.79Å; M502-A657 WeakPolarHBondContact CG-O 3.33Å; M502-K658 CarbonylContact C-O 3.46Å
503H97.4Very high96.1Very high10 Ų1027.6 Ų27.65%0.04614%0.137CC..  trans-57.8143.4162.6-163.1-74.8000110.3D505 I506 C507 R529 P538 K658H503-D505 VanDerWaalsContact C-N 3.34Å; H503-D505 IonicContact CE1-OD1 2.97Å; H503-D505 PolarHBondContact CE1-OD1 3.38Å; H503-D505 PolarHBondContact ND1-N 3.36Å; H503-D505 IonicContact ND1-OD1 3.22Å; H503-D505 PolarHBondContact ND1-OD1 2.82Å; H503-D505 PolarHBondContact O-N 2.78Å; H503-I506 HydrophobicContact CB-CD1 4.01Å; H503-I506 HydrophobicContact CB-CG1 4.19Å; H503-I506 PolarHBondContact O-N 3.07Å; H503-C507 PolarHBondContact O-N 2.97Å; H503-R529 HydrophobicContact CB-CB 4.02Å; H503-R529 PolarHBondContact CD2-O 3.28Å; H503-R529 VanDerWaalsContact CD2-O 3.27Å; H503-P538 HydrophobicContact CB-CB 4.1Å; H503-P538 VanDerWaalsContact CG-CB 3.49Å; H503-P538 WeakPolarHBondContact ND1-CB 2.83Å; H503-K658 PolarHBondContact N-O 2.93Å
504P97.1Very high96.3Very high28 Ų2827.3 Ų27.318%0.18214%0.136CC..Hα-helixtrans-46.5-51.2176.3-30.434.1000114I506 C507 L508 T521 E526P504-I506 PolarHBondContact O-N 3.32Å; P504-I506 VanDerWaalsContact O-N 3.13Å; P504-C507 CarbonylContact O-C 3.56Å; P504-C507 WeakPolarHBondContact O-CA 3.32Å; P504-C507 WeakPolarHBondContact O-CB 3.41Å; P504-C507 PolarHBondContact O-N 3.02Å; P504-L508 PolarHBondContact O-N 3.13Å; P504-T521 HydrophobicContact CG-CG2 4.25Å; P504-E526 HydrophobicContact CG-CB 4.19Å; P504-E526 HydrophobicContact CG-CG 3.77Å; P504-E526 VanDerWaalsContact CG-OE1 3.28Å; P504-E526 WeakPolarHBondContact CG-OE1 3.32Å
505D96.3Very high96.3Very high59 Ų5926.7 Ų26.732%0.31613%0.132SC..Hα-helixtrans-50.2-30.7173.2-76.279000117.5H503 P538 R715H503-D505 VanDerWaalsContact C-N 3.34Å; H503-D505 IonicContact CE1-OD1 2.97Å; H503-D505 PolarHBondContact CE1-OD1 3.38Å; H503-D505 PolarHBondContact ND1-N 3.36Å; H503-D505 IonicContact ND1-OD1 3.22Å; H503-D505 PolarHBondContact ND1-OD1 2.82Å; H503-D505 PolarHBondContact O-N 2.78Å; D505-P538 HydrophobicContact CB-CB 3.86Å; D505-P538 HydrophobicContact CB-CG 3.65Å; D505-R715 VanDerWaalsContact CA-NH2 3.32Å; D505-R715 PolarHBondContact O-NH1 3.05Å; D505-R715 VanDerWaalsContact O-NH1 3.1Å; D505-R715 PolarHBondContact O-NH2 3.4Å; D505-R715 IonicContact OD2-CZ 2.81Å; D505-R715 IonicContact OD2-NH2 2.81Å; D505-R715 PolarHBondContact OD2-NH2 2.84Å
506I97.5Very high96.2Very high2 Ų230.3 Ų30.31%0.0115%0.154CC..Hα-helixtrans-87.1-36.1176.9-58.4171.7000109.4M502 H503 P504 L508 P510 P538 I654 A657 Y659 L661M502-I506 HydrophobicContact CB-CB 4.32Å; M502-I506 HydrophobicContact CB-CG2 4.38Å; M502-I506 HydrophobicContact SD-CG2 4.19Å; H503-I506 HydrophobicContact CB-CD1 4.01Å; H503-I506 HydrophobicContact CB-CG1 4.19Å; H503-I506 PolarHBondContact O-N 3.07Å; P504-I506 PolarHBondContact O-N 3.32Å; P504-I506 VanDerWaalsContact O-N 3.13Å; I506-L508 VanDerWaalsContact C-N 3.32Å; I506-P510 WeakPolarHBondContact O-CD 3.37Å; I506-P538 WeakPolarHBondContact CD1-O 3.06Å; I506-P538 VanDerWaalsContact CG1-O 3.26Å; I506-P538 WeakPolarHBondContact CG1-O 3.26Å; I506-I654 HydrophobicContact CG2-CG2 4.09Å; I506-A657 HydrophobicContact CD1-CB 3.87Å; I506-A657 HydrophobicContact CG2-CB 4.37Å; I506-Y659 WeakPolarHBondContact CD1-O 3.34Å; I506-L661 HydrophobicContact CD1-CB 4.09Å; I506-L661 HydrophobicContact CG1-CB 4.17Å; I506-L661 HydrophobicContact CG2-CB 4.48Å; I506-L661 HydrophobicContact CG2-CD2 4.16Å
507C97.3Very high96Very high4 Ų439.3 Ų39.33%0.02719%0.187CC..Hα-helixtrans-70.2-26.2177.5-169.10000113.3M502 H503 P504 P510 S511M502-C507 HydrophobicContact CB-CB 4.31Å; M502-C507 HydrophobicContact CE-CB 3.98Å; H503-C507 PolarHBondContact O-N 2.97Å; P504-C507 CarbonylContact O-C 3.56Å; P504-C507 WeakPolarHBondContact O-CA 3.32Å; P504-C507 WeakPolarHBondContact O-CB 3.41Å; P504-C507 PolarHBondContact O-N 3.02Å; C507-P510 WeakPolarHBondContact O-CD 3.32Å; C507-S511 WeakPolarHBondContact O-CB 3.25Å; C507-S511 PolarHBondContact O-N 3.28Å
508L96.3Very high95.8Very high67 Ų6741.3 Ų41.335%0.35120%0.197SC..Hα-helixtrans-59.4-51.2-172.4-175.763.3000112.9P504 I506 S511 N512P504-L508 PolarHBondContact O-N 3.13Å; I506-L508 VanDerWaalsContact C-N 3.32Å; L508-S511 PolarHBondContact O-N 2.92Å; L508-N512 WeakPolarHBondContact CD1-ND2 3.14Å; L508-N512 WeakPolarHBondContact O-CB 3.33Å; L508-N512 VanDerWaalsContact O-CG 3.23Å; L508-N512 PolarHBondContact O-N 2.92Å; L508-N512 PolarHBondContact O-ND2 3.47Å
509F95.8Very high95.7Very high12 Ų1240.1 Ų40.15%0.05319%0.19CC..Hα-helixtrans-66.2-51.4-179.4173-92.3000112.8S511 N512 Y513 L650 I654 Q707 L708 D711F509-S511 VanDerWaalsContact C-N 3.29Å; F509-S511 PolarHBondContact O-N 2.78Å; F509-N512 PolarHBondContact O-N 3Å; F509-Y513 AromaticContact CE1-CD1 4Å; F509-Y513 HydrophobicContact CE1-CD1 4Å; F509-Y513 AromaticContact CE2-CD1 3.9Å; F509-Y513 HydrophobicContact CE2-CD1 3.9Å; F509-Y513 AromaticContact CE2-CG 3.93Å; F509-Y513 HydrophobicContact CE2-CG 3.93Å; F509-Y513 AromaticContact CZ-CD1 3.33Å; F509-Y513 HydrophobicContact CZ-CD1 3.33Å; F509-Y513 HydrophobicContact CZ-CE1 4.05Å; F509-Y513 AromaticContact CZ-CG 3.85Å; F509-Y513 HydrophobicContact CZ-CG 3.85Å; F509-Y513 VanDerWaalsContact O-CB 3.3Å; F509-Y513 WeakPolarHBondContact O-CB 3.27Å; F509-Y513 PolarHBondContact O-N 2.97Å; F509-L650 HydrophobicContact CE1-CD2 4.25Å; F509-L650 HydrophobicContact CZ-CD2 4.41Å; F509-I654 HydrophobicContact CD1-CD1 3.62Å; F509-I654 HydrophobicContact CE1-CD1 3.71Å; F509-Q707 HydrophobicContact CE2-CB 4.28Å; F509-L708 HydrophobicContact CD1-CD1 4.15Å; F509-L708 HydrophobicContact CD2-CB 4.42Å; F509-L708 HydrophobicContact CE1-CB 4.16Å; F509-L708 HydrophobicContact CE1-CD1 4.03Å; F509-L708 VanDerWaalsContact CE2-CA 3.43Å; F509-L708 HydrophobicContact CE2-CB 3.87Å; F509-L708 HydrophobicContact CZ-CB 3.7Å; F509-L708 HydrophobicContact CZ-CD1 4.43Å; F509-L708 HydrophobicContact CZ-CG 4.49Å; F509-D711 HydrophobicContact CD2-CB 4.01Å
510P96.6Very high95.6Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-56.8-40.8174-25.935.4000112.9I506 C507 V514 Y515 I654 T655I506-P510 WeakPolarHBondContact O-CD 3.37Å; C507-P510 WeakPolarHBondContact O-CD 3.32Å; P510-V514 WeakPolarHBondContact O-CA 3.26Å; P510-V514 WeakPolarHBondContact O-CB 3.31Å; P510-V514 PolarHBondContact O-N 3.38Å; P510-Y515 HydrophobicContact CB-CD2 4.35Å; P510-Y515 HydrophobicContact CB-CE2 4.29Å; P510-Y515 VanDerWaalsContact O-CD2 3.3Å; P510-Y515 WeakPolarHBondContact O-CD2 3.27Å; P510-Y515 PolarHBondContact O-N 2.87Å; P510-Y515 VanDerWaalsContact O-N 3.08Å; P510-I654 HydrophobicContact CG-CB 4.4Å; P510-I654 HydrophobicContact CG-CG2 3.6Å; P510-T655 HydrophobicContact CB-CG2 4.12Å; P510-T655 HydrophobicContact CG-CG2 3.89Å
511S96.5Very high95.6Very high8 Ų843.3 Ų43.36%0.05621%0.208CC..Hα-helixtrans-59.4-54.4175.7-172.70000111.3C507 L508 F509 Y513 Y515 N516 R517 L519C507-S511 WeakPolarHBondContact O-CB 3.25Å; C507-S511 PolarHBondContact O-N 3.28Å; L508-S511 PolarHBondContact O-N 2.92Å; F509-S511 VanDerWaalsContact C-N 3.29Å; F509-S511 PolarHBondContact O-N 2.78Å; S511-Y513 PolarHBondContact O-N 3.08Å; S511-Y515 CarbonylContact O-C 3.54Å; S511-Y515 PolarHBondContact O-N 3.05Å; S511-N516 PolarHBondContact O-N 3.31Å; S511-R517 WeakPolarHBondContact O-CA 3.47Å; S511-R517 PolarHBondContact O-N 2.88Å; S511-L519 VanDerWaalsContact CB-O 3.27Å; S511-L519 WeakPolarHBondContact CB-O 3.27Å; S511-L519 PolarHBondContact OG-N 2.65Å; S511-L519 PolarHBondContact OG-O 2.86Å
512N95.3Very high95.7Very high68 Ų6843.6 Ų43.636%0.36421%0.211SC..Hα-helixtrans-67.3-35.3-175.5-71.4-18.9000113.8L508 F509L508-N512 WeakPolarHBondContact CD1-ND2 3.14Å; L508-N512 WeakPolarHBondContact O-CB 3.33Å; L508-N512 VanDerWaalsContact O-CG 3.23Å; L508-N512 PolarHBondContact O-N 2.92Å; L508-N512 PolarHBondContact O-ND2 3.47Å; F509-N512 PolarHBondContact O-N 3Å
513Y93.8Very high95.6Very high61 Ų6153.9 Ų53.924%0.23925%0.25CS..Hα-helixtrans-107.1-23.3-168.3-168.8-118.8000114.9F509 S511 L647 H704 Q707F509-Y513 AromaticContact CE1-CD1 4Å; F509-Y513 HydrophobicContact CE1-CD1 4Å; F509-Y513 AromaticContact CE2-CD1 3.9Å; F509-Y513 HydrophobicContact CE2-CD1 3.9Å; F509-Y513 AromaticContact CE2-CG 3.93Å; F509-Y513 HydrophobicContact CE2-CG 3.93Å; F509-Y513 AromaticContact CZ-CD1 3.33Å; F509-Y513 HydrophobicContact CZ-CD1 3.33Å; F509-Y513 HydrophobicContact CZ-CE1 4.05Å; F509-Y513 AromaticContact CZ-CG 3.85Å; F509-Y513 HydrophobicContact CZ-CG 3.85Å; F509-Y513 VanDerWaalsContact O-CB 3.3Å; F509-Y513 WeakPolarHBondContact O-CB 3.27Å; F509-Y513 PolarHBondContact O-N 2.97Å; S511-Y513 PolarHBondContact O-N 3.08Å; Y513-L647 HydrophobicContact CD1-CD1 3.97Å; Y513-L647 HydrophobicContact CE1-CD1 3.67Å; Y513-H704 HydrophobicContact CE1-CB 4.08Å; Y513-H704 AromaticContact CE1-ND1 3.64Å; Y513-H704 AromaticContact CZ-ND1 3.66Å; Y513-H704 PolarHBondContact OH-ND1 3.1Å; Y513-Q707 HydrophobicContact CD2-CB 4.36Å; Y513-Q707 HydrophobicContact CD2-CG 4.49Å; Y513-Q707 HydrophobicContact CE1-CB 4.34Å; Y513-Q707 HydrophobicContact CE2-CB 3.97Å; Y513-Q707 HydrophobicContact CE2-CG 3.75Å
514V94.2Very high95.5Very high15 Ų1560.5 Ų60.59%0.09128%0.281CS..Hα-helixtrans-117.5-28.7-176.3-169.20000112.6K451 P510 L647 N651K451-V514 HydrophobicContact CB-CG1 3.9Å; P510-V514 WeakPolarHBondContact O-CA 3.26Å; P510-V514 WeakPolarHBondContact O-CB 3.31Å; P510-V514 PolarHBondContact O-N 3.38Å; V514-L647 HydrophobicContact CG2-CD1 4.07Å; V514-N651 HydrophobicContact CG1-CB 4.45Å; V514-N651 HydrophobicContact CG2-CB 4.39Å
515Y94.8Very high95.4Very high6 Ų659.8 Ų59.82%0.02428%0.276CS..SBendtrans-122.429-175-55.2-72.3000113.4H204 P206 P207 D449 K451 P510 S511 R517 N518 L519 N651H204-Y515 AromaticContact NE2-CE1 3.93Å; P206-Y515 HydrophobicContact CB-CD1 4.05Å; P206-Y515 HydrophobicContact CB-CD2 4.41Å; P206-Y515 HydrophobicContact CB-CE1 3.71Å; P206-Y515 HydrophobicContact CB-CE2 4.13Å; P206-Y515 HydrophobicContact CB-CG 4.38Å; P206-Y515 HydrophobicContact CG-CD1 3.63Å; P206-Y515 HydrophobicContact CG-CE1 3.61Å; P206-Y515 HydrophobicContact CG-CG 4.21Å; P207-Y515 WeakPolarHBondContact CD-OH 3.18Å; D449-Y515 PolarHBondContact OD2-OH 3.28Å; K451-Y515 HydrophobicContact CB-CE1 4.04Å; K451-Y515 HydrophobicContact CG-CE1 4.21Å; P510-Y515 HydrophobicContact CB-CD2 4.35Å; P510-Y515 HydrophobicContact CB-CE2 4.29Å; P510-Y515 VanDerWaalsContact O-CD2 3.3Å; P510-Y515 WeakPolarHBondContact O-CD2 3.27Å; P510-Y515 PolarHBondContact O-N 2.87Å; P510-Y515 VanDerWaalsContact O-N 3.08Å; S511-Y515 CarbonylContact O-C 3.54Å; S511-Y515 PolarHBondContact O-N 3.05Å; Y515-R517 VanDerWaalsContact C-N 3.27Å; Y515-R517 PolarHBondContact O-N 3.16Å; Y515-R517 VanDerWaalsContact O-N 3.11Å; Y515-N518 WeakPolarHBondContact O-CB 3.32Å; Y515-N518 PolarHBondContact O-N 2.66Å; Y515-L519 HydrophobicContact CD2-CB 4.42Å; Y515-L519 HydrophobicContact CD2-CD2 3.74Å; Y515-L519 HydrophobicContact CE2-CD2 4.13Å; Y515-L519 HydrophobicContact CG-CB 4.48Å; Y515-L519 HydrophobicContact CG-CD2 4.47Å; Y515-N651 PolarHBondContact OH-ND2 2.95Å
516N91.6Very high95.4Very high130 Ų13060.6 Ų60.670%0.69528%0.278SS*.THydrogen-bonded Turntrans49.638.6170.6-61.6-7.2000115.1S511 N518S511-N516 PolarHBondContact O-N 3.31Å; N516-N518 PolarHBondContact O-N 3.27Å
517R93.4Very high95.2Very high188 Ų18863.7 Ų63.771%0.70930%0.304SS*.THydrogen-bonded Turntrans64.97.1-176-48.7-176.7-179.6-177.90.7115.3S511 Y515S511-R517 WeakPolarHBondContact O-CA 3.47Å; S511-R517 PolarHBondContact O-N 2.88Å; Y515-R517 VanDerWaalsContact C-N 3.27Å; Y515-R517 PolarHBondContact O-N 3.16Å; Y515-R517 VanDerWaalsContact O-N 3.11Å
518N92.5Very high95.1Very high69 Ų6968 Ų6837%0.36933%0.325SS..  trans-79.2-27-177.9-71.1-15.5000113.2T497 Y515 N516 K520T497-N518 WeakPolarHBondContact CB-O 3.42Å; Y515-N518 WeakPolarHBondContact O-CB 3.32Å; Y515-N518 PolarHBondContact O-N 2.66Å; N516-N518 PolarHBondContact O-N 3.27Å; N518-K520 PolarHBondContact O-N 2.79Å
519L96.4Very high94.9Very high6 Ų666.2 Ų66.23%0.03131%0.314CS..  trans-76.1120.1-175-172.466.2000111.6P206 T209 T497 Q499 M502 S511 Y515P206-L519 HydrophobicContact CB-CD1 3.77Å; P206-L519 HydrophobicContact CB-CD2 4.21Å; P206-L519 HydrophobicContact CG-CD1 4.25Å; T209-L519 HydrophobicContact CG2-CD1 3.65Å; T497-L519 CarbonylContact O-C 3.58Å; T497-L519 WeakPolarHBondContact O-CA 3.41Å; Q499-L519 HydrophobicContact CB-CD1 3.95Å; Q499-L519 HydrophobicContact CG-CD1 4.19Å; Q499-L519 HydrophobicContact CG-CG 4.25Å; M502-L519 HydrophobicContact CE-CD2 4.19Å; S511-L519 VanDerWaalsContact CB-O 3.27Å; S511-L519 WeakPolarHBondContact CB-O 3.27Å; S511-L519 PolarHBondContact OG-N 2.65Å; S511-L519 PolarHBondContact OG-O 2.86Å; Y515-L519 HydrophobicContact CD2-CB 4.42Å; Y515-L519 HydrophobicContact CD2-CD2 3.74Å; Y515-L519 HydrophobicContact CE2-CD2 4.13Å; Y515-L519 HydrophobicContact CG-CB 4.48Å; Y515-L519 HydrophobicContact CG-CD2 4.47Å
520K96.1Very high94.7Very high124 Ų12468.2 Ų68.254%0.53933%0.329SS..EExtended strand (participates in β ladder)trans-124.5142.6-172.3-67.1162.8-171.91700111.3T497 V498 Q499 N518T497-K520 PolarHBondContact O-N 3.21Å; V498-K520 CarbonylContact C-O 3.52Å; V498-K520 WeakPolarHBondContact CA-O 3.38Å; Q499-K520 PolarHBondContact N-O 3.3Å; N518-K520 PolarHBondContact O-N 2.79Å
521T96.8Very high94.3Very high25 Ų2569.9 Ų69.915%0.15334%0.341CS..EExtended strand (participates in β ladder)trans-76.9139.5173.9-52.10000110.8Q499 P504 T525 E526Q499-T521 PolarHBondContact NE2-OG1 3.27Å; P504-T521 HydrophobicContact CG-CG2 4.25Å; T521-T525 HydrophobicContact CG2-CG2 4.23Å; T521-E526 HydrophobicContact CG2-CB 3.85Å
522N97.3Very high93.8Very high34 Ų3474.5 Ų74.518%0.18237%0.373CS..  trans-68.9133.9169.4166.2-89.3000111.2V498 Q499 Y500 Q524 T525 E526V498-N522 HydrophobicContact CG1-CB 3.75Å; Q499-N522 PolarHBondContact O-N 3.28Å; Y500-N522 HydrophobicContact CD1-CB 3.63Å; Y500-N522 HydrophobicContact CE1-CB 3.64Å; Y500-N522 WeakPolarHBondContact CE1-ND2 3.47Å; Y500-N522 HydrophobicContact CG-CB 4.29Å; N522-Q524 VanDerWaalsContact C-N 3.32Å; N522-Q524 PolarHBondContact O-N 3.07Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.4Å; N522-Q524 PolarHBondContact OD1-N 3.36Å; N522-T525 CarbonylContact O-C 3.52Å; N522-T525 WeakPolarHBondContact O-CA 3.32Å; N522-T525 VanDerWaalsContact O-CB 3.31Å; N522-T525 WeakPolarHBondContact O-CB 3.29Å; N522-T525 PolarHBondContact O-N 3.3Å; N522-T525 PolarHBondContact OD1-N 3.1Å; N522-T525 PolarHBondContact OD1-OG1 3.19Å; N522-E526 PolarHBondContact O-N 2.97Å
523R95.7Very high93.3Very high216 Ų21677.1 Ų77.182%0.81539%0.387SS*.Hα-helixtrans-52.9-38.3-176.9-69.7-177.1178.3173.1-1.1115.3A527R523-A527 PolarHBondContact O-N 2.91Å
524Q95.3Very high93.2Very high148 Ų14874.9 Ų74.969%0.69238%0.378SS*.Hα-helixtrans-72.5-38.9177.1-65.2173.5-24.600111.1N522 A527 I528N522-Q524 VanDerWaalsContact C-N 3.32Å; N522-Q524 PolarHBondContact O-N 3.07Å; N522-Q524 WeakPolarHBondContact OD1-CB 3.4Å; N522-Q524 PolarHBondContact OD1-N 3.36Å; Q524-A527 PolarHBondContact O-N 3.07Å; Q524-I528 WeakPolarHBondContact O-CD1 3.48Å; Q524-I528 VanDerWaalsContact O-CG1 3.24Å; Q524-I528 WeakPolarHBondContact O-CG1 3.44Å; Q524-I528 PolarHBondContact O-N 3.04Å
525T94.6Very high93Very high13 Ų1375.9 Ų75.98%0.0839%0.385CS..Hα-helixtrans-62-45.5173.2-58.10000110.7Y500 T521 N522 I528 R529Y500-T525 WeakPolarHBondContact CA-OG1 3.38Å; T521-T525 HydrophobicContact CG2-CG2 4.23Å; N522-T525 CarbonylContact O-C 3.52Å; N522-T525 WeakPolarHBondContact O-CA 3.32Å; N522-T525 VanDerWaalsContact O-CB 3.31Å; N522-T525 WeakPolarHBondContact O-CB 3.29Å; N522-T525 PolarHBondContact O-N 3.3Å; N522-T525 PolarHBondContact OD1-N 3.1Å; N522-T525 PolarHBondContact OD1-OG1 3.19Å; T525-I528 PolarHBondContact O-N 3.12Å; T525-R529 HydrophobicContact CG2-CG 4.2Å; T525-R529 VanDerWaalsContact O-CG 3.29Å; T525-R529 WeakPolarHBondContact O-CG 3.3Å; T525-R529 PolarHBondContact O-N 3.46Å
526E95.3Very high92.9Very high77 Ų7775.6 Ų75.636%0.3638%0.384SS..Hα-helixtrans-55.3-54.2174.9171.5164.3-121.500111.7P504 T521 N522 I528 R529 C530P504-E526 HydrophobicContact CG-CB 4.19Å; P504-E526 HydrophobicContact CG-CG 3.77Å; P504-E526 VanDerWaalsContact CG-OE1 3.28Å; P504-E526 WeakPolarHBondContact CG-OE1 3.32Å; T521-E526 HydrophobicContact CG2-CB 3.85Å; N522-E526 PolarHBondContact O-N 2.97Å; E526-I528 VanDerWaalsContact C-N 3.31Å; E526-I528 PolarHBondContact O-N 3.39Å; E526-R529 PolarHBondContact O-N 3.36Å; E526-R529 VanDerWaalsContact O-N 3.14Å; E526-C530 WeakPolarHBondContact O-CB 3.36Å; E526-C530 PolarHBondContact O-N 3.48Å; E526-C530 PolarHBondContact O-SG 2.76Å
527A94.7Very high93.1Very high67 Ų6772.1 Ų72.155%0.55436%0.363SS*.Hα-helixtrans-54.9-44.1176.400000112.8R523 Q524 S531R523-A527 PolarHBondContact O-N 2.91Å; Q524-A527 PolarHBondContact O-N 3.07Å; A527-S531 PolarHBondContact O-N 3.27Å
528I93.5Very high93.3Very high93 Ų9363.7 Ų63.748%0.47733%0.333SS..Hα-helixtrans-66.5-40.2178.4-67.7164.9000111.8Q524 T525 E526Q524-I528 WeakPolarHBondContact O-CD1 3.48Å; Q524-I528 VanDerWaalsContact O-CG1 3.24Å; Q524-I528 WeakPolarHBondContact O-CG1 3.44Å; Q524-I528 PolarHBondContact O-N 3.04Å; T525-I528 PolarHBondContact O-N 3.12Å; E526-I528 VanDerWaalsContact C-N 3.31Å; E526-I528 PolarHBondContact O-N 3.39Å
529R93.3Very high93.5Very high30 Ų3060.9 Ų60.911%0.11332%0.317CS..Hα-helixtrans-75.8-37.7-179.1-65-53.2-177.6-106.6-18112.7R501 H503 T525 E526 S531 K658 Y659R501-R529 PolarHBondContact O-NE 3.23Å; R501-R529 PolarHBondContact O-NH2 3.49Å; H503-R529 HydrophobicContact CB-CB 4.02Å; H503-R529 PolarHBondContact CD2-O 3.28Å; H503-R529 VanDerWaalsContact CD2-O 3.27Å; T525-R529 HydrophobicContact CG2-CG 4.2Å; T525-R529 VanDerWaalsContact O-CG 3.29Å; T525-R529 WeakPolarHBondContact O-CG 3.3Å; T525-R529 PolarHBondContact O-N 3.46Å; E526-R529 PolarHBondContact O-N 3.36Å; E526-R529 VanDerWaalsContact O-N 3.14Å; R529-S531 PolarHBondContact O-N 2.85Å; R529-K658 VanDerWaalsContact CD-O 3.25Å; R529-K658 WeakPolarHBondContact CD-O 3.41Å; R529-K658 PolarHBondContact NE-O 3.03Å; R529-Y659 HydrophobicContact CB-CD1 4.38Å; R529-Y659 VanDerWaalsContact CD-CD1 3.47Å; R529-Y659 VanDerWaalsContact CD-CE1 3.48Å; R529-Y659 VanDerWaalsContact NH1-CZ 3.33Å; R529-Y659 PolarHBondContact NH1-OH 2.83Å; R529-Y659 VanDerWaalsContact NH1-OH 3.11Å
530C91.6Very high93.6Very high55 Ų5561.3 Ų61.337%0.37232%0.32SS..Hα-helixtrans-71.2-19.8179-65.20000112.8E526 K735E526-C530 WeakPolarHBondContact O-CB 3.36Å; E526-C530 PolarHBondContact O-N 3.48Å; E526-C530 PolarHBondContact O-SG 2.76Å; C530-K735 PolarHBondContact O-NZ 3.47Å; C530-K735 VanDerWaalsContact O-NZ 3.11Å
531S88.6Confident93.6Very high35 Ų3555.5 Ų55.525%0.24530%0.295CS..  trans-43.7140.2-176.5-175.50000114.4A527 R529 D533 W534 K735A527-S531 PolarHBondContact O-N 3.27Å; R529-S531 PolarHBondContact O-N 2.85Å; S531-D533 PolarHBondContact O-N 2.87Å; S531-D533 VanDerWaalsContact OG-CG 3.24Å; S531-D533 PolarHBondContact OG-N 2.92Å; S531-D533 PolarHBondContact OG-OD2 3.31Å; S531-W534 PolarHBondContact O-N 3.16Å; S531-K735 PolarHBondContact O-NZ 3.36Å
532S84.4Confident93.7Very high105 Ų10554.3 Ų54.373%0.73429%0.287SS*.THydrogen-bonded Turntrans-63.5-19173.4-53.40000113.5W534S532-W534 PolarHBondContact O-N 3.19Å
533D86.3Confident93.6Very high122 Ų12253.9 Ų53.965%0.65229%0.285SS*.THydrogen-bonded Turntrans-54.9-40.5176-58.6-52.4000111.5S531 P535 R576S531-D533 PolarHBondContact O-N 2.87Å; S531-D533 VanDerWaalsContact OG-CG 3.24Å; S531-D533 PolarHBondContact OG-N 2.92Å; S531-D533 PolarHBondContact OG-OD2 3.31Å; D533-P535 VanDerWaalsContact O-CD 3.27Å; D533-P535 WeakPolarHBondContact O-CD 3.39Å; D533-R576 PolarHBondContact O-NH1 2.86Å
534W90.2Very high93.6Very high14 Ų1443.6 Ų43.65%0.05325%0.246CC..SBendtrans-85.2105.3174.4-171.8-98000108.7S531 S532 F536 V579 D625 C626 Y659 S660 K735S531-W534 PolarHBondContact O-N 3.16Å; S532-W534 PolarHBondContact O-N 3.19Å; W534-F536 HydrophobicContact CD2-CD2 4.08Å; W534-F536 AromaticContact CE2-CD2 3.63Å; W534-F536 HydrophobicContact CH2-CD2 4.29Å; W534-F536 AromaticContact CZ2-CD2 3.77Å; W534-F536 HydrophobicContact CZ2-CD2 3.77Å; W534-F536 HydrophobicContact CZ2-CE2 4.41Å; W534-F536 AromaticContact NE1-CD2 3.83Å; W534-F536 PolarHBondContact O-N 3Å; W534-V579 HydrophobicContact CH2-CG2 4.47Å; W534-V579 HydrophobicContact CZ3-CG2 4.17Å; W534-D625 HydrophobicContact CH2-CB 3.94Å; W534-D625 HydrophobicContact CZ3-CB 4.27Å; W534-C626 HydrophobicContact CH2-CB 4.29Å; W534-C626 HydrophobicContact CZ2-CB 4Å; W534-Y659 HydrophobicContact CB-CD1 3.99Å; W534-Y659 HydrophobicContact CB-CE1 4.44Å; W534-Y659 HydrophobicContact CD2-CD1 4.15Å; W534-Y659 AromaticContact CD2-CG 3.97Å; W534-Y659 HydrophobicContact CD2-CG 3.97Å; W534-Y659 VanDerWaalsContact CE2-CB 3.49Å; W534-Y659 HydrophobicContact CE3-CG 4.43Å; W534-Y659 AromaticContact CG-CD1 3.85Å; W534-Y659 HydrophobicContact CG-CD1 3.85Å; W534-Y659 HydrophobicContact CG-CG 4.08Å; W534-S660 PolarHBondContact NE1-OG 2.94Å; W534-K735 WeakPolarHBondContact O-CD 3.28Å; W534-K735 VanDerWaalsContact O-CE 3.24Å; W534-K735 WeakPolarHBondContact O-CE 3.38Å; W534-K735 PolarHBondContact O-NZ 3.32Å
535P90.9Very high93.3Very high36 Ų3638.9 Ų38.923%0.23424%0.237CC..  trans-84.35.6-166.537.2-37.9000112.9D533 R576 L734 K735D533-P535 VanDerWaalsContact O-CD 3.27Å; D533-P535 WeakPolarHBondContact O-CD 3.39Å; P535-R576 HydrophobicContact CG-CG 3.94Å; P535-L734 WeakPolarHBondContact O-CA 3.39Å; P535-K735 PolarHBondContact O-N 3.42Å
536F93.6Very high93.1Very high0 Ų040.7 Ų40.70%025%0.246CC..BIsolated β-bridgetrans-107146.2-173.3-47.2-72.3000111.6W534 I572 K575 R576 F662 I733 L734 K735W534-F536 HydrophobicContact CD2-CD2 4.08Å; W534-F536 AromaticContact CE2-CD2 3.63Å; W534-F536 HydrophobicContact CH2-CD2 4.29Å; W534-F536 AromaticContact CZ2-CD2 3.77Å; W534-F536 HydrophobicContact CZ2-CD2 3.77Å; W534-F536 HydrophobicContact CZ2-CE2 4.41Å; W534-F536 AromaticContact NE1-CD2 3.83Å; W534-F536 PolarHBondContact O-N 3Å; F536-I572 HydrophobicContact CD1-CG1 4.38Å; F536-I572 HydrophobicContact CE1-CB 4.39Å; F536-I572 HydrophobicContact CE1-CG1 3.95Å; F536-I572 HydrophobicContact CE2-CG1 4.5Å; F536-I572 HydrophobicContact CE2-CG2 4.12Å; F536-I572 HydrophobicContact CZ-CB 4.08Å; F536-I572 HydrophobicContact CZ-CG1 4.02Å; F536-I572 HydrophobicContact CZ-CG2 3.93Å; F536-K575 HydrophobicContact CE1-CB 4.08Å; F536-K575 HydrophobicContact CZ-CB 4.01Å; F536-R576 HydrophobicContact CE2-CB 4.35Å; F536-R576 HydrophobicContact CE2-CG 3.9Å; F536-R576 HydrophobicContact CZ-CB 4.41Å; F536-R576 HydrophobicContact CZ-CG 4.14Å; F536-F662 HydrophobicContact CB-CZ 4.24Å; F536-I733 CarbonylContact C-O 3.59Å; F536-I733 WeakPolarHBondContact CA-O 3.34Å; F536-I733 HydrophobicContact CD1-CD1 4.17Å; F536-I733 HydrophobicContact CD1-CG1 4.05Å; F536-I733 HydrophobicContact CE1-CD1 4.48Å; F536-L734 HydrophobicContact CD1-CD2 3.74Å; F536-L734 HydrophobicContact CE1-CD2 3.78Å; F536-K735 VanDerWaalsContact O-CE 3.27Å; F536-K735 WeakPolarHBondContact O-CE 3.26Å
537Q95.5Very high92.8Very high57 Ų5737.6 Ų37.627%0.26624%0.236SC..  trans-61146.5177.1-66.1-68.76.100110.9L540 S660 F662 I733 L734Q537-L540 HydrophobicContact CB-CD1 3.86Å; Q537-L540 HydrophobicContact CB-CG 4.06Å; Q537-L540 HydrophobicContact CG-CD1 4.17Å; Q537-S660 WeakPolarHBondContact O-CB 3.38Å; Q537-S660 PolarHBondContact O-OG 3.39Å; Q537-F662 WeakPolarHBondContact O-CE1 3.18Å; Q537-I733 PolarHBondContact N-O 3.13Å; Q537-L734 PolarHBondContact NE2-O 3.48Å
538P95.9Very high92.5Very high11 Ų1136.2 Ų36.27%0.07122%0.222CC..SBendtrans-79.4-29.6-173.631.6-36.1000113.7H503 D505 I506 Y659 S660 L661H503-P538 HydrophobicContact CB-CB 4.1Å; H503-P538 VanDerWaalsContact CG-CB 3.49Å; H503-P538 WeakPolarHBondContact ND1-CB 2.83Å; D505-P538 HydrophobicContact CB-CB 3.86Å; D505-P538 HydrophobicContact CB-CG 3.65Å; I506-P538 WeakPolarHBondContact CD1-O 3.06Å; I506-P538 VanDerWaalsContact CG1-O 3.26Å; I506-P538 WeakPolarHBondContact CG1-O 3.26Å; P538-Y659 VanDerWaalsContact CA-O 3.29Å; P538-Y659 WeakPolarHBondContact CA-O 3.48Å; P538-S660 CarbonylContact O-C 3.53Å; P538-S660 WeakPolarHBondContact O-CA 3.43Å; P538-L661 PolarHBondContact O-N 2.9Å
539Y97.4Very high92.3Very high10 Ų1033.6 Ų33.64%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-150123.2-176.4178.6-116.5000110.8V541 L661 I663 L708 A712 A717Y539-V541 HydrophobicContact CE1-CG2 4.44Å; Y539-V541 HydrophobicContact CE2-CG2 4.34Å; Y539-L661 WeakPolarHBondContact CA-O 3.19Å; Y539-L661 HydrophobicContact CD2-CB 4.4Å; Y539-L661 HydrophobicContact CD2-CD2 4.11Å; Y539-L661 HydrophobicContact CD2-CG 4.34Å; Y539-L661 HydrophobicContact CE2-CD2 4.18Å; Y539-I663 HydrophobicContact CE2-CD1 4.04Å; Y539-L708 WeakPolarHBondContact OH-CD2 3.14Å; Y539-L708 WeakPolarHBondContact OH-CG 3.35Å; Y539-A712 HydrophobicContact CE1-CB 3.94Å; Y539-A717 HydrophobicContact CD1-CB 4.01Å; Y539-A717 HydrophobicContact CE1-CB 4.3Å
540L97.9Very high92.2Very high16 Ų1639.6 Ų39.68%0.08423%0.23CC..EExtended strand (participates in β ladder)trans-143.3148.8173.3-65.3168.9000111Q537 F542 L661 F662 I663 A717 I719 I733Q537-L540 HydrophobicContact CB-CD1 3.86Å; Q537-L540 HydrophobicContact CB-CG 4.06Å; Q537-L540 HydrophobicContact CG-CD1 4.17Å; L540-F542 HydrophobicContact CB-CE2 4.03Å; L540-F542 HydrophobicContact CD1-CE2 4.31Å; L540-F542 HydrophobicContact CD1-CZ 4.42Å; L540-L661 PolarHBondContact N-O 3.35Å; L540-F662 HydrophobicContact CB-CD1 3.92Å; L540-F662 HydrophobicContact CB-CE1 4.42Å; L540-F662 HydrophobicContact CD1-CD1 4.17Å; L540-F662 HydrophobicContact CD1-CE1 3.96Å; L540-F662 HydrophobicContact CG-CD1 4.32Å; L540-F662 HydrophobicContact CG-CE1 4.32Å; L540-F662 WeakPolarHBondContact O-CA 3.42Å; L540-I663 PolarHBondContact O-N 3.08Å; L540-A717 WeakPolarHBondContact CA-O 3.5Å; L540-I719 HydrophobicContact CB-CD1 4.35Å; L540-I719 HydrophobicContact CD1-CD1 3.75Å; L540-I719 HydrophobicContact CD2-CD1 3.94Å; L540-I719 HydrophobicContact CG-CD1 4.23Å; L540-I733 HydrophobicContact CD1-CB 4.31Å; L540-I733 HydrophobicContact CD1-CG2 4.1Å
541V97.9Very high91.9Very high2 Ų244.9 Ų44.91%0.01224%0.242CC..EExtended strand (participates in β ladder)trans-120.8120.9172.5-1760000108.7Y539 I663 L667 L708 A712 A717 I718 I719Y539-V541 HydrophobicContact CE1-CG2 4.44Å; Y539-V541 HydrophobicContact CE2-CG2 4.34Å; V541-I663 CarbonylContact C-O 3.55Å; V541-I663 WeakPolarHBondContact CA-O 3.31Å; V541-I663 HydrophobicContact CG1-CB 4.47Å; V541-I663 HydrophobicContact CG2-CB 4.33Å; V541-L667 HydrophobicContact CG1-CD1 3.97Å; V541-L708 HydrophobicContact CG2-CD2 4.25Å; V541-A712 HydrophobicContact CB-CB 4.24Å; V541-A712 HydrophobicContact CG2-CB 3.58Å; V541-A717 PolarHBondContact N-O 3.09Å; V541-I718 HydrophobicContact CB-CG1 4.4Å; V541-I718 CarbonylContact O-C 3.51Å; V541-I718 VanDerWaalsContact O-CA 3.3Å; V541-I718 WeakPolarHBondContact O-CA 3.5Å; V541-I719 PolarHBondContact O-N 3.26Å
542F97.7Very high91.7Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-96.5119.3177-70.9-100.3000110L540 V544 L564 I568 F662 I663 L664 G665 I719 T721 I733L540-F542 HydrophobicContact CB-CE2 4.03Å; L540-F542 HydrophobicContact CD1-CE2 4.31Å; L540-F542 HydrophobicContact CD1-CZ 4.42Å; F542-V544 PolarHBondContact O-N 3.2Å; F542-L564 HydrophobicContact CB-CD2 3.84Å; F542-L564 HydrophobicContact CD1-CD1 4.43Å; F542-L564 HydrophobicContact CD1-CD2 4.01Å; F542-L564 HydrophobicContact CG-CD2 4.06Å; F542-I568 HydrophobicContact CE2-CD1 4.16Å; F542-I568 HydrophobicContact CZ-CD1 4.24Å; F542-F662 HydrophobicContact CE2-CB 4.39Å; F542-I663 PolarHBondContact N-O 3.09Å; F542-L664 HydrophobicContact CB-CD2 3.67Å; F542-L664 HydrophobicContact CD2-CD2 3.49Å; F542-L664 VanDerWaalsContact CD2-CD2 3.49Å; F542-L664 HydrophobicContact CE2-CD2 4.34Å; F542-L664 HydrophobicContact CG-CD2 3.74Å; F542-G665 PolarHBondContact O-N 3.04Å; F542-G665 VanDerWaalsContact O-N 3.14Å; F542-G665 VanDerWaalsContact O-O 3.08Å; F542-I719 CarbonylContact C-O 3.58Å; F542-I719 WeakPolarHBondContact CA-O 3.3Å; F542-I719 HydrophobicContact CD1-CB 3.89Å; F542-I719 HydrophobicContact CD1-CD1 4.28Å; F542-I719 HydrophobicContact CD1-CG2 3.79Å; F542-I719 HydrophobicContact CE1-CB 4.04Å; F542-I719 HydrophobicContact CE1-CD1 3.65Å; F542-I719 HydrophobicContact CE1-CG1 4.47Å; F542-I719 HydrophobicContact CE1-CG2 3.81Å; F542-I719 HydrophobicContact CE2-CD1 4.09Å; F542-I719 HydrophobicContact CG-CB 4.41Å; F542-I719 HydrophobicContact CZ-CD1 3.53Å; F542-T721 HydrophobicContact CB-CG2 4.38Å; F542-T721 HydrophobicContact CD1-CG2 4.16Å; F542-I733 HydrophobicContact CE2-CG2 4.05Å; F542-I733 HydrophobicContact CZ-CG2 3.65Å
543D96.3Very high91.7Very high25 Ų2547.5 Ų47.513%0.13425%0.245CC..EExtended strand (participates in β ladder)trans-85.796.8172.7-174.524.8000109.5G545 G665 L667 I718 I719 K720 T721D543-G545 PolarHBondContact O-N 3.3Å; D543-G665 WeakPolarHBondContact CA-O 2.96Å; D543-L667 HydrophobicContact CB-CB 4.48Å; D543-L667 HydrophobicContact CB-CD1 3.76Å; D543-L667 HydrophobicContact CB-CD2 3.94Å; D543-L667 HydrophobicContact CB-CG 4.26Å; D543-L667 WeakPolarHBondContact OD1-CB 3.29Å; D543-L667 PolarHBondContact OD1-N 2.99Å; D543-I718 HydrophobicContact CB-CG2 4.36Å; D543-I719 PolarHBondContact N-O 3.43Å; D543-K720 HydrophobicContact CB-CG 4.24Å; D543-T721 PolarHBondContact O-N 3.22Å; D543-T721 VanDerWaalsContact O-O 3.14Å
544V94.8Very high91.4Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-80.874.5178.4-170.70000107.3F542 D546 G547 Q560 E561 L564 L664 G665 T721 Y726F542-V544 PolarHBondContact O-N 3.2Å; V544-D546 PolarHBondContact O-N 2.85Å; V544-D546 VanDerWaalsContact O-N 3.12Å; V544-G547 PolarHBondContact O-N 2.81Å; V544-Q560 HydrophobicContact CG1-CB 3.82Å; V544-E561 HydrophobicContact CG1-CG 4.46Å; V544-E561 HydrophobicContact CG2-CG 4.19Å; V544-L564 HydrophobicContact CG2-CD2 3.79Å; V544-L664 HydrophobicContact CG2-CB 4.34Å; V544-G665 PolarHBondContact N-O 3.34Å; V544-T721 HydrophobicContact CG2-CG2 4.49Å; V544-Y726 HydrophobicContact CG1-CE1 4.31Å
545G88.4Confident91.2Very high49 Ų4948.7 Ų48.751%0.50525%0.254SS..THydrogen-bonded Turntrans-66-12.1-171.300000114.8D543 T721D543-G545 PolarHBondContact O-N 3.3Å; G545-T721 PolarHBondContact N-O 2.81Å
546D91.3Very high91.1Very high50 Ų5050 Ų5027%0.26726%0.255SS..THydrogen-bonded Turntrans-108.79.2174.664.1-18.6000113.3V544 Q560 C722 D723 Y726V544-D546 PolarHBondContact O-N 2.85Å; V544-D546 VanDerWaalsContact O-N 3.12Å; D546-Q560 WeakPolarHBondContact O-CG 3.14Å; D546-Q560 PolarHBondContact O-NE2 3.29Å; D546-C722 HydrophobicContact CB-CB 4.25Å; D546-C722 WeakPolarHBondContact OD2-CA 3.42Å; D546-C722 WeakPolarHBondContact OD2-CB 3.28Å; D546-D723 WeakPolarHBondContact OD2-CB 3.21Å; D546-D723 PolarHBondContact OD2-N 2.89Å; D546-Y726 VanDerWaalsContact CG-OH 3.27Å; D546-Y726 PolarHBondContact OD1-OH 3.41Å; D546-Y726 PolarHBondContact OD2-OH 3.4Å
547G88.9Confident91.1Very high13 Ų1351.2 Ų51.213%0.13426%0.261CS..  trans-58.5136.3177.100000112.1V544 A634V544-G547 PolarHBondContact O-N 2.81Å; G547-A634 WeakPolarHBondContact O-CB 3.37Å
548S88.6Confident91.1Very high37 Ų3748.5 Ų48.526%0.25925%0.248SC..  trans-130.4116.5178.764.10000110.3Q560S548-Q560 PolarHBondContact OG-NE2 3.05Å; S548-Q560 PolarHBondContact OG-OE1 3.48Å
549E89.6Confident91.1Very high39 Ų3950.6 Ų50.618%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-77.1137.6173.874.6-178.5-130.500110.2I557 R633 A634 N635E549-I557 WeakPolarHBondContact CA-O 3.2Å; E549-R633 VanDerWaalsContact CD-NE 3.26Å; E549-R633 IonicContact OE1-CZ 2.76Å; E549-R633 IonicContact OE1-NE 3.81Å; E549-R633 PolarHBondContact OE1-NE 3.4Å; E549-R633 VanDerWaalsContact OE1-NE 3.13Å; E549-R633 IonicContact OE1-NH2 3.13Å; E549-R633 PolarHBondContact OE1-NH2 3.48Å; E549-R633 VanDerWaalsContact OE2-CA 3.23Å; E549-R633 WeakPolarHBondContact OE2-CA 3.48Å; E549-R633 IonicContact OE2-CZ 3.74Å; E549-R633 IonicContact OE2-NE 2.78Å; E549-R633 PolarHBondContact OE2-NE 3.44Å; E549-R633 IonicContact OE2-NH2 2.82Å; E549-R633 PolarHBondContact OE2-NH2 3.06Å; E549-A634 HydrophobicContact CB-CB 4.47Å; E549-A634 PolarHBondContact OE2-N 3.3Å; E549-N635 HydrophobicContact CG-CB 4.13Å; E549-N635 WeakPolarHBondContact OE1-CB 3.43Å; E549-N635 WeakPolarHBondContact OE2-CB 3.35Å; E549-N635 PolarHBondContact OE2-N 3.41Å
550R90.1Very high91Very high155 Ų15552 Ų5259%0.58527%0.267SS*.EExtended strand (participates in β ladder)trans-127.5140.8170.7-55.8-176.6-175.9-159.4-1.6108.3Y556 I557R550-Y556 WeakPolarHBondContact O-CA 3.48Å; R550-I557 HydrophobicContact CB-CD1 4.45Å; R550-I557 HydrophobicContact CB-CG1 3.91Å; R550-I557 PolarHBondContact N-O 3.01Å; R550-I557 PolarHBondContact O-N 3.24Å
551R86.3Confident91Very high166 Ų16651.2 Ų51.263%0.62626%0.264SS*.EExtended strand (participates in β ladder)trans-80133.5173.9-172171.7177.7170.3-0.5109.3N553 D554 S555 Y556R551-N553 VanDerWaalsContact CG-O 3.25Å; R551-N553 WeakPolarHBondContact CG-O 3.32Å; R551-N553 PolarHBondContact NE-O 3.05Å; R551-D554 IonicContact NH2-OD1 3.48Å; R551-D554 PolarHBondContact NH2-OD1 3.14Å; R551-S555 WeakPolarHBondContact CA-O 3.3Å; R551-Y556 HydrophobicContact CB-CD1 4.45Å; R551-Y556 HydrophobicContact CB-CE1 4.25Å; R551-Y556 HydrophobicContact CG-CE1 4.44Å
552D84Confident90.9Very high66 Ų6651.2 Ų51.235%0.35326%0.264SS..EExtended strand (participates in β ladder)trans-126.5103.7171.6172.433.6000107.5D554 S555 I557 A592D552-D554 PolarHBondContact O-N 3.46Å; D552-S555 PolarHBondContact N-O 3.12Å; D552-S555 CarbonylContact O-C 3.51Å; D552-S555 WeakPolarHBondContact O-CA 3.45Å; D552-S555 PolarHBondContact O-N 3.12Å; D552-I557 HydrophobicContact CB-CG2 4.28Å; D552-A592 HydrophobicContact CB-CB 3.86Å; D552-A592 WeakPolarHBondContact OD2-CB 3.3Å
553N84.2Confident90.8Very high130 Ų13055.6 Ų55.670%0.69528%0.282SS*.THydrogen-bonded Turntrans50.2-122.5-171.1-59.9-84.1000110.7R551 S555R551-N553 VanDerWaalsContact CG-O 3.25Å; R551-N553 WeakPolarHBondContact CG-O 3.32Å; R551-N553 PolarHBondContact NE-O 3.05Å; N553-S555 VanDerWaalsContact C-N 3.3Å; N553-S555 PolarHBondContact O-N 2.78Å
554D79.6Confident90.9Very high143 Ų14354.4 Ų54.477%0.76528%0.276SS*.THydrogen-bonded Turntrans-93.527.6176.2-60.4-49.9000113.9R551 D552R551-D554 IonicContact NH2-OD1 3.48Å; R551-D554 PolarHBondContact NH2-OD1 3.14Å; D552-D554 PolarHBondContact O-N 3.46Å
555S86.4Confident91Very high18 Ų1854.4 Ų54.413%0.12628%0.276CS..EExtended strand (participates in β ladder)trans-139.4179.4179.4-129.50000112R551 D552 N553 K591R551-S555 WeakPolarHBondContact CA-O 3.3Å; D552-S555 PolarHBondContact N-O 3.12Å; D552-S555 CarbonylContact O-C 3.51Å; D552-S555 WeakPolarHBondContact O-CA 3.45Å; D552-S555 PolarHBondContact O-N 3.12Å; N553-S555 VanDerWaalsContact C-N 3.3Å; N553-S555 PolarHBondContact O-N 2.78Å; S555-K591 PolarHBondContact OG-N 2.86Å
556Y89.2Confident91.3Very high63 Ų6352.8 Ų52.825%0.24726%0.256CS..EExtended strand (participates in β ladder)trans-128.6148.1-177.5-64.4-91.5000110.9R550 R551 Y590R550-Y556 WeakPolarHBondContact O-CA 3.48Å; R551-Y556 HydrophobicContact CB-CD1 4.45Å; R551-Y556 HydrophobicContact CB-CE1 4.25Å; R551-Y556 HydrophobicContact CG-CE1 4.44Å; Y556-Y590 AromaticContact CD2-CD1 3.86Å; Y556-Y590 HydrophobicContact CD2-CD1 3.86Å; Y556-Y590 AromaticContact CD2-CE1 3.74Å; Y556-Y590 HydrophobicContact CD2-CE1 3.74Å; Y556-Y590 HydrophobicContact CG-CD1 4.46Å; Y556-Y590 HydrophobicContact CG-CE1 4.49Å; Y556-Y590 WeakPolarHBondContact O-CB 3.37Å
557I93.8Very high91.5Very high25 Ų2552.2 Ų52.213%0.12825%0.252CS..EExtended strand (participates in β ladder)trans-128.9153.5172.265175.4000110.6E549 R550 D552 A592 Q593 M596E549-I557 WeakPolarHBondContact CA-O 3.2Å; R550-I557 HydrophobicContact CB-CD1 4.45Å; R550-I557 HydrophobicContact CB-CG1 3.91Å; R550-I557 PolarHBondContact N-O 3.01Å; R550-I557 PolarHBondContact O-N 3.24Å; D552-I557 HydrophobicContact CB-CG2 4.28Å; I557-A592 HydrophobicContact CG2-CB 3.43Å; I557-A592 VanDerWaalsContact CG2-CB 3.43Å; I557-Q593 VanDerWaalsContact CA-OE1 3.27Å; I557-M596 HydrophobicContact CG2-CG 4.19Å
558N95.2Very high91.8Very high1 Ų151.6 Ų51.61%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-142.7104.2173.7-179.8-28.1000107.9Q560 E561 I562 Q593 V632N558-Q560 WeakPolarHBondContact OD1-CB 3.21Å; N558-Q560 PolarHBondContact OD1-N 3.46Å; N558-Q560 PolarHBondContact OD1-OE1 3.45Å; N558-E561 HydrophobicContact CB-CB 4.45Å; N558-E561 HydrophobicContact CB-CG 4.46Å; N558-E561 PolarHBondContact ND2-OE1 3Å; N558-E561 VanDerWaalsContact ND2-OE1 3.09Å; N558-E561 PolarHBondContact O-N 3.29Å; N558-E561 PolarHBondContact OD1-N 3.44Å; N558-I562 WeakPolarHBondContact O-CG1 3.27Å; N558-I562 PolarHBondContact O-N 3.15Å; N558-Q593 PolarHBondContact O-NE2 2.98Å; N558-V632 HydrophobicContact CB-CB 4.32Å; N558-V632 HydrophobicContact CB-CG1 3.85Å; N558-V632 WeakPolarHBondContact CB-O 3.31Å; N558-V632 PolarHBondContact ND2-O 2.97Å
559V95.4Very high92Very high54 Ų5449.9 Ų49.933%0.32723%0.233SC..Hα-helixtrans-71.8-32.5-169.5-179.50000111.6I562 K563V559-I562 WeakPolarHBondContact O-CB 3.41Å; V559-I562 PolarHBondContact O-N 3.1Å; V559-I562 VanDerWaalsContact O-N 3.14Å; V559-K563 PolarHBondContact O-N 2.8Å
560Q96.5Very high92Very high39 Ų3950.7 Ų50.718%0.18224%0.236CC..Hα-helixtrans-59.3-45.9174.9-75.987.1-9.900111.8V544 D546 S548 N558 I562 K563 L564 Y726V544-Q560 HydrophobicContact CG1-CB 3.82Å; D546-Q560 WeakPolarHBondContact O-CG 3.14Å; D546-Q560 PolarHBondContact O-NE2 3.29Å; S548-Q560 PolarHBondContact OG-NE2 3.05Å; S548-Q560 PolarHBondContact OG-OE1 3.48Å; N558-Q560 WeakPolarHBondContact OD1-CB 3.21Å; N558-Q560 PolarHBondContact OD1-N 3.46Å; N558-Q560 PolarHBondContact OD1-OE1 3.45Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.38Å; Q560-K563 PolarHBondContact O-N 3.13Å; Q560-L564 PolarHBondContact O-N 2.86Å; Q560-Y726 WeakPolarHBondContact CB-OH 3.43Å; Q560-Y726 WeakPolarHBondContact CG-OH 3.27Å
561E96.8Very high92.2Very high0 Ų044.3 Ų44.30%021%0.213CC..Hα-helixtrans-60.4-40.3172.7-75178.2-143.600111.9V544 N558 L564 V565 T630 C631 V632 L664V544-E561 HydrophobicContact CG1-CG 4.46Å; V544-E561 HydrophobicContact CG2-CG 4.19Å; N558-E561 HydrophobicContact CB-CB 4.45Å; N558-E561 HydrophobicContact CB-CG 4.46Å; N558-E561 PolarHBondContact ND2-OE1 3Å; N558-E561 VanDerWaalsContact ND2-OE1 3.09Å; N558-E561 PolarHBondContact O-N 3.29Å; N558-E561 PolarHBondContact OD1-N 3.44Å; E561-L564 PolarHBondContact O-N 2.86Å; E561-V565 WeakPolarHBondContact O-CG2 3.3Å; E561-V565 PolarHBondContact O-N 2.95Å; E561-T630 HydrophobicContact CB-CG2 4.22Å; E561-T630 VanDerWaalsContact OE2-CA 3.24Å; E561-T630 WeakPolarHBondContact OE2-CA 3.15Å; E561-T630 WeakPolarHBondContact OE2-CB 3.21Å; E561-C631 PolarHBondContact OE2-N 2.94Å; E561-V632 VanDerWaalsContact CD-N 3.27Å; E561-V632 VanDerWaalsContact OE1-CA 3.24Å; E561-V632 WeakPolarHBondContact OE1-CA 3.41Å; E561-V632 PolarHBondContact OE1-N 3.5Å; E561-V632 PolarHBondContact OE2-N 3.11Å; E561-L664 HydrophobicContact CG-CB 4.29Å
562I96.1Very high92.4Very high3 Ų336.4 Ų36.42%0.01518%0.184CC..Hα-helixtrans-62.2-45.9177.7-55.7-177.6000111.2N558 V559 Q560 L564 V565 M566 M596 I597 D600N558-I562 WeakPolarHBondContact O-CG1 3.27Å; N558-I562 PolarHBondContact O-N 3.15Å; V559-I562 WeakPolarHBondContact O-CB 3.41Å; V559-I562 PolarHBondContact O-N 3.1Å; V559-I562 VanDerWaalsContact O-N 3.14Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.38Å; I562-L564 VanDerWaalsContact C-N 3.29Å; I562-L564 PolarHBondContact O-N 2.68Å; I562-V565 WeakPolarHBondContact O-CB 3.12Å; I562-V565 PolarHBondContact O-N 3.19Å; I562-M566 HydrophobicContact CG2-CG 4.48Å; I562-M566 WeakPolarHBondContact O-CG 3.31Å; I562-M566 PolarHBondContact O-N 3.21Å; I562-M596 HydrophobicContact CD1-CB 3.55Å; I562-I597 HydrophobicContact CB-CG1 4.41Å; I562-I597 HydrophobicContact CD1-CG1 4.03Å; I562-I597 HydrophobicContact CG1-CD1 4.44Å; I562-I597 HydrophobicContact CG1-CG1 3.72Å; I562-I597 HydrophobicContact CG2-CG1 4.15Å; I562-D600 HydrophobicContact CG2-CB 4.45Å
563K96.3Very high92.5Very high91 Ų9136.4 Ų36.440%0.39618%0.18SC..Hα-helixtrans-55.5-45.1176.4-70.9-176.8179.3-171.30111.7V559 Q560 M566 E567 D723 Y726V559-K563 PolarHBondContact O-N 2.8Å; Q560-K563 PolarHBondContact O-N 3.13Å; K563-M566 PolarHBondContact O-N 3.02Å; K563-E567 PolarHBondContact O-N 2.99Å; K563-E567 VanDerWaalsContact O-N 3.12Å; K563-D723 WeakPolarHBondContact CD-OD1 3.39Å; K563-D723 WeakPolarHBondContact CE-OD1 3.21Å; K563-D723 IonicContact NZ-OD1 3.39Å; K563-D723 PolarHBondContact NZ-OD1 3.37Å; K563-D723 IonicContact NZ-OD2 3.54Å; K563-D723 PolarHBondContact NZ-OD2 3.37Å; K563-Y726 HydrophobicContact CB-CD2 3.85Å; K563-Y726 HydrophobicContact CB-CE2 3.81Å; K563-Y726 HydrophobicContact CD-CE2 4.17Å
564L97.1Very high92.7Very high0 Ų035.8 Ų35.80%018%0.177CC..Hα-helixtrans-67.8-37.8178.6-17858.2000112.6F542 V544 Q560 E561 I562 M566 E567 I568 L664 T721 Y726F542-L564 HydrophobicContact CB-CD2 3.84Å; F542-L564 HydrophobicContact CD1-CD1 4.43Å; F542-L564 HydrophobicContact CD1-CD2 4.01Å; F542-L564 HydrophobicContact CG-CD2 4.06Å; V544-L564 HydrophobicContact CG2-CD2 3.79Å; Q560-L564 PolarHBondContact O-N 2.86Å; E561-L564 PolarHBondContact O-N 2.86Å; I562-L564 VanDerWaalsContact C-N 3.29Å; I562-L564 PolarHBondContact O-N 2.68Å; L564-M566 VanDerWaalsContact C-N 3.29Å; L564-M566 PolarHBondContact O-N 3.34Å; L564-E567 PolarHBondContact O-N 3.07Å; L564-I568 HydrophobicContact CD1-CD1 4.06Å; L564-I568 HydrophobicContact CD1-CG1 4.26Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CB 3.2Å; L564-I568 VanDerWaalsContact O-CG1 3.29Å; L564-I568 WeakPolarHBondContact O-CG1 3.29Å; L564-I568 PolarHBondContact O-N 2.91Å; L564-L664 HydrophobicContact CB-CD1 4.29Å; L564-L664 HydrophobicContact CD2-CD1 4.24Å; L564-L664 HydrophobicContact CD2-CD2 3.91Å; L564-L664 HydrophobicContact CD2-CG 4.48Å; L564-L664 HydrophobicContact CG-CD1 4.09Å; L564-L664 HydrophobicContact CG-CD2 4.24Å; L564-T721 HydrophobicContact CD2-CG2 3.82Å; L564-Y726 HydrophobicContact CB-CD1 4.16Å; L564-Y726 HydrophobicContact CB-CD2 4.3Å; L564-Y726 HydrophobicContact CB-CE1 4.46Å; L564-Y726 HydrophobicContact CB-CG 4.13Å; L564-Y726 HydrophobicContact CD1-CD1 3.99Å; L564-Y726 HydrophobicContact CD1-CG 4.07Å; L564-Y726 HydrophobicContact CD2-CD1 4.3Å; L564-Y726 HydrophobicContact CG-CD1 4.38Å
565V96.3Very high93.1Very high0 Ų034.5 Ų34.50%017%0.165CC..Hα-helixtrans-54.7-46.7169.6170.90000110.6E561 I562 I568 I569 I586 I597 I628 T630 L664E561-V565 WeakPolarHBondContact O-CG2 3.3Å; E561-V565 PolarHBondContact O-N 2.95Å; I562-V565 WeakPolarHBondContact O-CB 3.12Å; I562-V565 PolarHBondContact O-N 3.19Å; V565-I568 PolarHBondContact O-N 3.36Å; V565-I569 HydrophobicContact CG1-CD1 3.51Å; V565-I569 HydrophobicContact CG1-CG1 4.44Å; V565-I569 WeakPolarHBondContact O-CD1 3.34Å; V565-I569 VanDerWaalsContact O-CG1 3.26Å; V565-I569 WeakPolarHBondContact O-CG1 3.46Å; V565-I569 PolarHBondContact O-N 3.45Å; V565-I586 HydrophobicContact CG1-CD1 3.96Å; V565-I586 HydrophobicContact CG1-CG1 4.23Å; V565-I586 HydrophobicContact CG1-CG2 4.42Å; V565-I597 HydrophobicContact CG1-CG2 4.42Å; V565-I628 HydrophobicContact CG2-CG2 4.02Å; V565-T630 HydrophobicContact CG2-CG2 3.57Å; V565-L664 HydrophobicContact CB-CD1 4.48Å; V565-L664 HydrophobicContact CG2-CD1 3.5Å
566M94.8Very high93Very high15 Ų1536.8 Ų36.87%0.07417%0.17CC..Hα-helixtrans-65.6-44.6-177.1-64.9-59.4-75.500112.4I562 K563 L564 I569 K570 D600 L601 E604 F605I562-M566 HydrophobicContact CG2-CG 4.48Å; I562-M566 WeakPolarHBondContact O-CG 3.31Å; I562-M566 PolarHBondContact O-N 3.21Å; K563-M566 PolarHBondContact O-N 3.02Å; L564-M566 VanDerWaalsContact C-N 3.29Å; L564-M566 PolarHBondContact O-N 3.34Å; M566-I569 PolarHBondContact O-N 3.27Å; M566-K570 VanDerWaalsContact O-CG 3.31Å; M566-K570 WeakPolarHBondContact O-CG 3.47Å; M566-K570 PolarHBondContact O-N 3.21Å; M566-D600 HydrophobicContact CE-CB 4.48Å; M566-D600 WeakPolarHBondContact CE-O 3.25Å; M566-D600 HydrophobicContact SD-CB 4.47Å; M566-L601 HydrophobicContact CE-CD2 4.15Å; M566-L601 HydrophobicContact SD-CD2 3.57Å; M566-L601 VanDerWaalsContact SD-CD2 3.57Å; M566-L601 HydrophobicContact SD-CG 3.99Å; M566-E604 HydrophobicContact CE-CB 3.41Å; M566-E604 VanDerWaalsContact CE-CB 3.41Å; M566-E604 HydrophobicContact CE-CG 3.76Å; M566-F605 HydrophobicContact CE-CE2 4.05Å
567E95.6Very high92.2Very high39 Ų3943.2 Ų43.218%0.18220%0.2CC..Hα-helixtrans-66.6-36.7177.8-66-58.4110.900112.6K563 L564 K570 L571 R727 A730K563-E567 PolarHBondContact O-N 2.99Å; K563-E567 VanDerWaalsContact O-N 3.12Å; L564-E567 PolarHBondContact O-N 3.07Å; E567-K570 VanDerWaalsContact OE1-CD 3.32Å; E567-K570 WeakPolarHBondContact OE1-CD 3.38Å; E567-K570 WeakPolarHBondContact OE1-CE 3.22Å; E567-K570 IonicContact OE1-NZ 3.67Å; E567-K570 PolarHBondContact OE1-NZ 3.33Å; E567-L571 PolarHBondContact O-N 3.33Å; E567-L571 VanDerWaalsContact O-N 3.13Å; E567-R727 WeakPolarHBondContact OE2-CD 3.37Å; E567-R727 WeakPolarHBondContact OE2-CG 3.23Å; E567-A730 HydrophobicContact CB-CB 4.45Å
568I95.1Very high91.2Very high0 Ų046.6 Ų46.60%022%0.218CC..Hα-helixtrans-62.1-43.3172.4-71.7169.9000110.9F542 L564 V565 L571 I572 I628 F662 L664 A730 I733F542-I568 HydrophobicContact CE2-CD1 4.16Å; F542-I568 HydrophobicContact CZ-CD1 4.24Å; L564-I568 HydrophobicContact CD1-CD1 4.06Å; L564-I568 HydrophobicContact CD1-CG1 4.26Å; L564-I568 HydrophobicContact CG-CD1 3.99Å; L564-I568 WeakPolarHBondContact O-CB 3.2Å; L564-I568 VanDerWaalsContact O-CG1 3.29Å; L564-I568 WeakPolarHBondContact O-CG1 3.29Å; L564-I568 PolarHBondContact O-N 2.91Å; V565-I568 PolarHBondContact O-N 3.36Å; I568-L571 PolarHBondContact O-N 3.37Å; I568-I572 HydrophobicContact CG2-CD1 3.81Å; I568-I572 VanDerWaalsContact O-CG1 3.31Å; I568-I572 WeakPolarHBondContact O-CG1 3.33Å; I568-I572 PolarHBondContact O-N 2.91Å; I568-I628 HydrophobicContact CB-CD1 4.37Å; I568-I628 HydrophobicContact CG2-CD1 3.64Å; I568-I628 HydrophobicContact CG2-CG1 4.36Å; I568-F662 HydrophobicContact CG2-CD2 4.06Å; I568-F662 HydrophobicContact CG2-CE2 4.45Å; I568-L664 HydrophobicContact CD1-CD1 4.48Å; I568-L664 HydrophobicContact CD1-CD2 3.86Å; I568-A730 HydrophobicContact CG1-CB 4.04Å; I568-I733 HydrophobicContact CG1-CG2 4.5Å; I568-I733 HydrophobicContact CG2-CD1 4Å
569I92.6Very high90Very high0 Ų047.2 Ų47.20%022%0.222CC..Hα-helixtrans-69.4-39.2-178.3-71.1166.9000112.2V565 M566 I572 K573 I586 L601 F605 P610 A611 I628V565-I569 HydrophobicContact CG1-CD1 3.51Å; V565-I569 HydrophobicContact CG1-CG1 4.44Å; V565-I569 WeakPolarHBondContact O-CD1 3.34Å; V565-I569 VanDerWaalsContact O-CG1 3.26Å; V565-I569 WeakPolarHBondContact O-CG1 3.46Å; V565-I569 PolarHBondContact O-N 3.45Å; M566-I569 PolarHBondContact O-N 3.27Å; I569-I572 PolarHBondContact O-N 3.11Å; I569-K573 PolarHBondContact O-N 3.34Å; I569-I586 HydrophobicContact CD1-CD1 3.59Å; I569-I586 HydrophobicContact CD1-CG1 4.28Å; I569-L601 HydrophobicContact CD1-CD2 3.8Å; I569-F605 HydrophobicContact CG2-CE2 3.92Å; I569-F605 HydrophobicContact CG2-CZ 4.03Å; I569-P610 HydrophobicContact CG2-CB 4.26Å; I569-P610 HydrophobicContact CG2-CG 3.69Å; I569-A611 HydrophobicContact CD1-CB 4.46Å; I569-I628 HydrophobicContact CD1-CD1 4.16Å; I569-I628 HydrophobicContact CG1-CD1 3.75Å
570K91.2Very high88.5Confident57 Ų5746.8 Ų46.825%0.24822%0.221CC..Hα-helixtrans-56.7-51.4172-71.1168.6-170.7-1780110.5M566 E567 I572 K573 D574 E604 F605M566-K570 VanDerWaalsContact O-CG 3.31Å; M566-K570 WeakPolarHBondContact O-CG 3.47Å; M566-K570 PolarHBondContact O-N 3.21Å; E567-K570 VanDerWaalsContact OE1-CD 3.32Å; E567-K570 WeakPolarHBondContact OE1-CD 3.38Å; E567-K570 WeakPolarHBondContact OE1-CE 3.22Å; E567-K570 IonicContact OE1-NZ 3.67Å; E567-K570 PolarHBondContact OE1-NZ 3.33Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 2.81Å; K570-K573 WeakPolarHBondContact O-CB 3.38Å; K570-K573 PolarHBondContact O-N 2.77Å; K570-D574 PolarHBondContact O-N 2.87Å; K570-E604 WeakPolarHBondContact CE-OE1 3.45Å; K570-E604 IonicContact NZ-OE1 2.76Å; K570-E604 PolarHBondContact NZ-OE1 3.43Å; K570-F605 HydrophobicContact CG-CZ 4.24Å
571L92.6Very high86.9Confident20 Ų2050.4 Ų50.411%0.10524%0.237CC..Hα-helixtrans-61.4-38.8179179.462.6000113E567 I568 D574 K575 A730 V731 I733E567-L571 PolarHBondContact O-N 3.33Å; E567-L571 VanDerWaalsContact O-N 3.13Å; I568-L571 PolarHBondContact O-N 3.37Å; L571-D574 PolarHBondContact O-N 3.19Å; L571-K575 HydrophobicContact CD1-CG 4Å; L571-K575 WeakPolarHBondContact O-CG 3.27Å; L571-K575 PolarHBondContact O-N 3.26Å; L571-K575 VanDerWaalsContact O-N 3.14Å; L571-A730 VanDerWaalsContact CD2-C 3.46Å; L571-A730 HydrophobicContact CD2-CB 4.3Å; L571-A730 WeakPolarHBondContact CD2-O 3.16Å; L571-V731 HydrophobicContact CD2-CG2 4.49Å; L571-I733 HydrophobicContact CB-CD1 4.48Å; L571-I733 HydrophobicContact CD2-CD1 3.73Å; L571-I733 HydrophobicContact CD2-CG1 3.77Å; L571-I733 HydrophobicContact CG-CD1 4.18Å
572I91.3Very high85.5Confident1 Ų159 Ų591%0.00527%0.269CS..Hα-helixtrans-61.9-47.3175.6-69.9165.3000110.5F536 I568 I569 K570 D574 K575 R576 V579 I584 F662 I733F536-I572 HydrophobicContact CD1-CG1 4.38Å; F536-I572 HydrophobicContact CE1-CB 4.39Å; F536-I572 HydrophobicContact CE1-CG1 3.95Å; F536-I572 HydrophobicContact CE2-CG1 4.5Å; F536-I572 HydrophobicContact CE2-CG2 4.12Å; F536-I572 HydrophobicContact CZ-CB 4.08Å; F536-I572 HydrophobicContact CZ-CG1 4.02Å; F536-I572 HydrophobicContact CZ-CG2 3.93Å; I568-I572 HydrophobicContact CG2-CD1 3.81Å; I568-I572 VanDerWaalsContact O-CG1 3.31Å; I568-I572 WeakPolarHBondContact O-CG1 3.33Å; I568-I572 PolarHBondContact O-N 2.91Å; I569-I572 PolarHBondContact O-N 3.11Å; K570-I572 VanDerWaalsContact C-N 3.34Å; K570-I572 PolarHBondContact O-N 2.81Å; I572-D574 PolarHBondContact O-N 3.19Å; I572-K575 PolarHBondContact O-N 3.45Å; I572-R576 PolarHBondContact O-N 3.26Å; I572-V579 HydrophobicContact CG2-CG1 3.94Å; I572-I584 HydrophobicContact CB-CD1 4.46Å; I572-I584 HydrophobicContact CG2-CD1 3.79Å; I572-F662 HydrophobicContact CD1-CE2 4.42Å; I572-I733 HydrophobicContact CD1-CD1 4.4Å; I572-I733 HydrophobicContact CG1-CD1 3.89Å
573K87.4Confident84.9Confident66 Ų6660.8 Ų60.829%0.28728%0.279SS..Hα-helixtrans-59.8-43.6175.5-90.6-178.1155177.90112.8I569 K570 K575 F605 P610I569-K573 PolarHBondContact O-N 3.34Å; K570-K573 WeakPolarHBondContact O-CB 3.38Å; K570-K573 PolarHBondContact O-N 2.77Å; K573-K575 VanDerWaalsContact C-N 3.26Å; K573-K575 PolarHBondContact O-N 3Å; K573-F605 HydrophobicContact CD-CD1 4.29Å; K573-F605 HydrophobicContact CD-CE1 3.79Å; K573-F605 HydrophobicContact CD-CZ 4.22Å; K573-P610 HydrophobicContact CD-CB 4.32Å
574D88.1Confident84.8Confident116 Ų11656.5 Ų56.562%0.6226%0.26SS*.Hα-helixtrans-63.4-31.6-179.8-74.1-13.6000112.6K570 L571 I572K570-D574 PolarHBondContact O-N 2.87Å; L571-D574 PolarHBondContact O-N 3.19Å; I572-D574 PolarHBondContact O-N 3.19Å
575K87.9Confident84.7Confident117 Ų11756.5 Ų56.551%0.50926%0.26SS..Hα-helixtrans-94.8-27.3-178.3-60.7-51.2-176.8-167.30114.8F536 L571 I572 K573 L734F536-K575 HydrophobicContact CE1-CB 4.08Å; F536-K575 HydrophobicContact CZ-CB 4.01Å; L571-K575 HydrophobicContact CD1-CG 4Å; L571-K575 WeakPolarHBondContact O-CG 3.27Å; L571-K575 PolarHBondContact O-N 3.26Å; L571-K575 VanDerWaalsContact O-N 3.14Å; I572-K575 PolarHBondContact O-N 3.45Å; K573-K575 VanDerWaalsContact C-N 3.26Å; K573-K575 PolarHBondContact O-N 3Å; K575-L734 HydrophobicContact CG-CD2 3.97Å
576R83.3Confident84.7Confident65 Ų6556.5 Ų56.525%0.24526%0.26CS..  trans-136.789.8178.5-76.2-73.8-64.1-124.41.8110.4D533 P535 F536 I572 D578 V579D533-R576 PolarHBondContact O-NH1 2.86Å; P535-R576 HydrophobicContact CG-CG 3.94Å; F536-R576 HydrophobicContact CE2-CB 4.35Å; F536-R576 HydrophobicContact CE2-CG 3.9Å; F536-R576 HydrophobicContact CZ-CB 4.41Å; F536-R576 HydrophobicContact CZ-CG 4.14Å; I572-R576 PolarHBondContact O-N 3.26Å; R576-D578 WeakPolarHBondContact CB-OD1 3.38Å; R576-D578 WeakPolarHBondContact CD-OD1 3.4Å; R576-D578 IonicContact CZ-OD1 3.18Å; R576-D578 IonicContact CZ-OD2 3.34Å; R576-D578 IonicContact NE-OD1 3.9Å; R576-D578 PolarHBondContact NE-OD1 3.46Å; R576-D578 IonicContact NE-OD2 3.75Å; R576-D578 PolarHBondContact NE-OD2 3.29Å; R576-D578 IonicContact NH2-OD1 2.71Å; R576-D578 IonicContact NH2-OD2 3.89Å; R576-D578 PolarHBondContact NH2-OD2 2.8Å; R576-D578 PolarHBondContact O-N 3.1Å; R576-V579 HydrophobicContact CB-CB 4.27Å; R576-V579 HydrophobicContact CB-CG2 3.55Å; R576-V579 HydrophobicContact CG-CG2 4.37Å; R576-V579 WeakPolarHBondContact O-CB 3.47Å; R576-V579 PolarHBondContact O-N 2.92Å; R576-V579 VanDerWaalsContact O-N 3.12Å
577K73Confident84.7Confident198 Ų19855.8 Ų55.886%0.86126%0.257SS*.THydrogen-bonded Turntrans-66.1-13.8-179.7-65-174.2178.4-177.10114.3
578D72.3Confident84.7Confident96 Ų9654 Ų5451%0.51325%0.248SC..THydrogen-bonded Turntrans-85-13.2175.665.7-64.4000113.6R576 S580R576-D578 WeakPolarHBondContact CB-OD1 3.38Å; R576-D578 WeakPolarHBondContact CD-OD1 3.4Å; R576-D578 IonicContact CZ-OD1 3.18Å; R576-D578 IonicContact CZ-OD2 3.34Å; R576-D578 IonicContact NE-OD1 3.9Å; R576-D578 PolarHBondContact NE-OD1 3.46Å; R576-D578 IonicContact NE-OD2 3.75Å; R576-D578 PolarHBondContact NE-OD2 3.29Å; R576-D578 IonicContact NH2-OD1 2.71Å; R576-D578 IonicContact NH2-OD2 3.89Å; R576-D578 PolarHBondContact NH2-OD2 2.8Å; R576-D578 PolarHBondContact O-N 3.1Å; D578-S580 PolarHBondContact O-N 3.25Å
579V69.2Low84.3Confident15 Ų1554.8 Ų54.89%0.09125%0.252CS..  trans-70.4104.7178.5167.20000109.5W534 I572 R576 N583 I584W534-V579 HydrophobicContact CH2-CG2 4.47Å; W534-V579 HydrophobicContact CZ3-CG2 4.17Å; I572-V579 HydrophobicContact CG2-CG1 3.94Å; R576-V579 HydrophobicContact CB-CB 4.27Å; R576-V579 HydrophobicContact CB-CG2 3.55Å; R576-V579 HydrophobicContact CG-CG2 4.37Å; R576-V579 WeakPolarHBondContact O-CB 3.47Å; R576-V579 PolarHBondContact O-N 2.92Å; R576-V579 VanDerWaalsContact O-N 3.12Å; V579-N583 HydrophobicContact CG1-CB 3.99Å; V579-I584 HydrophobicContact CG1-CD1 3.76Å; V579-I584 HydrophobicContact CG1-CG1 3.63Å
580S65.9Low84.2Confident45 Ų4555.2 Ų55.232%0.31525%0.253SS..  trans-85.6170.2179.780.40000112.4D578 R582 N583D578-S580 PolarHBondContact O-N 3.25Å; S580-R582 PolarHBondContact O-N 3.45Å; S580-R582 PolarHBondContact OG-N 2.88Å; S580-N583 WeakPolarHBondContact CB-OD1 3.36Å; S580-N583 PolarHBondContact N-OD1 3.47Å; S580-N583 WeakPolarHBondContact O-CB 3.47Å; S580-N583 PolarHBondContact O-N 2.9Å; S580-N583 PolarHBondContact O-OD1 3.4Å; S580-N583 PolarHBondContact OG-OD1 2.94Å
581F62.9Low84.2Confident115 Ų11559.9 Ų59.950%0.50427%0.274SS..THydrogen-bonded Turntrans-51.5-23.9170.174.6-84.6000114.5N583 G609 P610 K624F581-N583 VanDerWaalsContact C-N 3.31Å; F581-G609 WeakPolarHBondContact CB-O 3.46Å; F581-P610 WeakPolarHBondContact CA-O 3.44Å; F581-K624 PolarHBondContact O-NZ 3.33Å
582R67.3Low84.2Confident179 Ų17959.2 Ų59.268%0.67527%0.271SS*.THydrogen-bonded Turntrans-75.8-19.6177.5-61.8-168.3175.8-152.2-1.6112.9S580 K624S580-R582 PolarHBondContact O-N 3.45Å; S580-R582 PolarHBondContact OG-N 2.88Å; R582-K624 WeakPolarHBondContact O-CD 3.48Å; R582-K624 PolarHBondContact O-NZ 3.08Å
583N83.6Confident84.3Confident41 Ų4159.2 Ų59.222%0.21927%0.271CS..THydrogen-bonded Turntrans-93.5-28.5-172-58.297.5000113.6V579 S580 F581 D625 C626V579-N583 HydrophobicContact CG1-CB 3.99Å; S580-N583 WeakPolarHBondContact CB-OD1 3.36Å; S580-N583 PolarHBondContact N-OD1 3.47Å; S580-N583 WeakPolarHBondContact O-CB 3.47Å; S580-N583 PolarHBondContact O-N 2.9Å; S580-N583 PolarHBondContact O-OD1 3.4Å; S580-N583 PolarHBondContact OG-OD1 2.94Å; F581-N583 VanDerWaalsContact C-N 3.31Å; N583-D625 HydrophobicContact CB-CB 4.3Å; N583-D625 PolarHBondContact ND2-OD2 3.17Å; N583-D625 WeakPolarHBondContact O-CA 3.34Å; N583-D625 PolarHBondContact O-N 2.95Å; N583-C626 PolarHBondContact O-N 2.97Å
584I92.7Very high84.7Confident2 Ų258.8 Ų58.81%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-102.4140.7177-46.9178.9000110.6I572 V579 A611 E612 K624 C626I572-I584 HydrophobicContact CB-CD1 4.46Å; I572-I584 HydrophobicContact CG2-CD1 3.79Å; V579-I584 HydrophobicContact CG1-CD1 3.76Å; V579-I584 HydrophobicContact CG1-CG1 3.63Å; I584-A611 HydrophobicContact CB-CB 3.78Å; I584-A611 HydrophobicContact CG2-CB 3.62Å; I584-E612 PolarHBondContact O-N 2.74Å; I584-E612 VanDerWaalsContact O-N 3.16Å; I584-K624 WeakPolarHBondContact O-CD 3.34Å; I584-K624 WeakPolarHBondContact O-CE 3.23Å; I584-K624 PolarHBondContact O-NZ 3.49Å; I584-C626 WeakPolarHBondContact CA-O 3.3Å; I584-C626 HydrophobicContact CG1-CB 4.49Å
585G94.8Very high85Confident0 Ų057.4 Ų57.40%027%0.265CS..EExtended strand (participates in β ladder)trans-131.7151.116300000111.9E612 C626 V627 I628G585-E612 CarbonylContact C-O 3.58Å; G585-E612 VanDerWaalsContact CA-O 3.31Å; G585-E612 WeakPolarHBondContact CA-O 3.3Å; G585-C626 PolarHBondContact N-O 3.08Å; G585-V627 WeakPolarHBondContact O-CA 3.4Å; G585-I628 PolarHBondContact O-N 2.77Å
586I96.4Very high85.3Confident0 Ų054.5 Ų54.50%025%0.254CS..EExtended strand (participates in β ladder)trans-122.8123.8175.7-57.9146.7000107.7V565 I569 I597 L601 A611 E612 V613 D614 I628V565-I586 HydrophobicContact CG1-CD1 3.96Å; V565-I586 HydrophobicContact CG1-CG1 4.23Å; V565-I586 HydrophobicContact CG1-CG2 4.42Å; I569-I586 HydrophobicContact CD1-CD1 3.59Å; I569-I586 HydrophobicContact CD1-CG1 4.28Å; I586-I597 HydrophobicContact CD1-CG2 3.99Å; I586-I597 HydrophobicContact CG2-CD1 4.02Å; I586-I597 HydrophobicContact CG2-CG2 4.22Å; I586-L601 HydrophobicContact CD1-CD1 3.66Å; I586-A611 HydrophobicContact CD1-CB 3.48Å; I586-A611 VanDerWaalsContact CD1-CB 3.48Å; I586-A611 HydrophobicContact CG1-CB 4.05Å; I586-E612 PolarHBondContact N-O 3.39Å; I586-V613 HydrophobicContact CB-CG1 4.29Å; I586-V613 HydrophobicContact CD1-CG2 4.1Å; I586-V613 HydrophobicContact CG2-CG1 4.39Å; I586-V613 WeakPolarHBondContact O-CA 3.42Å; I586-D614 PolarHBondContact O-N 3.35Å; I586-I628 CarbonylContact C-O 3.59Å; I586-I628 VanDerWaalsContact CA-O 3.3Å; I586-I628 WeakPolarHBondContact CA-O 3.42Å; I586-I628 HydrophobicContact CG1-CB 4.32Å; I586-I628 HydrophobicContact CG1-CD1 4.49Å
587I96.3Very high85.8Confident0 Ų051.4 Ų51.40%024%0.243CC..EExtended strand (participates in β ladder)trans-117.1132.7-172.3-56.4-178.4000109.1D614 V616 F619 V627 I628 V629 T630 T653 R656I587-D614 WeakPolarHBondContact CA-O 3.28Å; I587-V616 HydrophobicContact CG2-CB 4.27Å; I587-V616 HydrophobicContact CG2-CG2 3.59Å; I587-F619 HydrophobicContact CD1-CB 4.33Å; I587-F619 HydrophobicContact CD1-CD1 3.66Å; I587-F619 HydrophobicContact CD1-CE1 4.07Å; I587-F619 HydrophobicContact CD1-CG 3.95Å; I587-F619 HydrophobicContact CG1-CD1 4.2Å; I587-F619 HydrophobicContact CG1-CD2 4.26Å; I587-F619 HydrophobicContact CG1-CE1 4.5Å; I587-F619 HydrophobicContact CG1-CG 4.07Å; I587-V627 HydrophobicContact CD1-CG1 3.66Å; I587-V627 HydrophobicContact CG1-CG1 3.98Å; I587-I628 PolarHBondContact N-O 2.97Å; I587-V629 CarbonylContact O-C 3.03Å; I587-V629 WeakPolarHBondContact O-CA 3.45Å; I587-T630 PolarHBondContact O-N 3.29Å; I587-T653 HydrophobicContact CG2-CG2 4.23Å; I587-R656 HydrophobicContact CD1-CB 3.82Å; I587-R656 HydrophobicContact CD1-CG 3.55Å
588T94.8Very high86.8Confident0 Ų044.7 Ų44.70%021%0.214CC..EExtended strand (participates in β ladder)trans-133.5164.1175.7-168.80000111.2Y590 Q593 K594 D614 T615 V616 T630T588-Y590 WeakPolarHBondContact CG2-O 3.37Å; T588-Y590 PolarHBondContact OG1-N 3.19Å; T588-Q593 HydrophobicContact CG2-CB 4.38Å; T588-K594 HydrophobicContact CG2-CB 3.88Å; T588-D614 PolarHBondContact N-O 2.7Å; T588-D614 VanDerWaalsContact N-O 3.12Å; T588-T615 CarbonylContact O-C 3.21Å; T588-T615 VanDerWaalsContact O-CA 3.22Å; T588-T615 WeakPolarHBondContact O-CA 3.25Å; T588-V616 PolarHBondContact O-N 3.42Å; T588-T630 WeakPolarHBondContact CB-OG1 3.24Å; T588-T630 PolarHBondContact OG1-OG1 2.81Å; T588-T630 VanDerWaalsContact OG1-OG1 3.13Å
589H87.6Confident87.7Confident18 Ų1846.5 Ų46.58%0.08322%0.218CC..SBendtrans-93.4-8.6172-69.268.5000112.5V616 L644H589-V616 VanDerWaalsContact CE1-CG2 3.44Å; H589-V616 WeakPolarHBondContact CE1-CG2 3.23Å; H589-L644 HydrophobicContact CB-CD2 4.3Å; H589-L644 HydrophobicContact CB-CG 4.43Å; H589-L644 WeakPolarHBondContact ND1-CD2 3.48Å
590Y89.5Confident88.8Confident8 Ų848.1 Ų48.13%0.03123%0.226CC..  trans-124.6131.4-169-58.5-79.2000113.1Y556 T588 A592 Q593 K594 V632 R633 I641 L644Y556-Y590 AromaticContact CD2-CD1 3.86Å; Y556-Y590 HydrophobicContact CD2-CD1 3.86Å; Y556-Y590 AromaticContact CD2-CE1 3.74Å; Y556-Y590 HydrophobicContact CD2-CE1 3.74Å; Y556-Y590 HydrophobicContact CG-CD1 4.46Å; Y556-Y590 HydrophobicContact CG-CE1 4.49Å; Y556-Y590 WeakPolarHBondContact O-CB 3.37Å; T588-Y590 WeakPolarHBondContact CG2-O 3.37Å; T588-Y590 PolarHBondContact OG1-N 3.19Å; Y590-A592 PolarHBondContact O-N 3.28Å; Y590-Q593 PolarHBondContact O-N 2.84Å; Y590-K594 PolarHBondContact O-N 2.7Å; Y590-K594 VanDerWaalsContact O-N 3.12Å; Y590-V632 HydrophobicContact CD2-CB 3.61Å; Y590-V632 HydrophobicContact CD2-CG1 4.08Å; Y590-V632 HydrophobicContact CD2-CG2 3.67Å; Y590-V632 HydrophobicContact CE2-CB 3.95Å; Y590-V632 HydrophobicContact CE2-CG2 4.4Å; Y590-R633 HydrophobicContact CE2-CG 4.02Å; Y590-R633 WeakPolarHBondContact OH-CD 3.41Å; Y590-R633 WeakPolarHBondContact OH-CG 3.17Å; Y590-I641 PolarHBondContact OH-O 3.3Å; Y590-I641 VanDerWaalsContact OH-O 3.11Å; Y590-L644 HydrophobicContact CE2-CD1 4.4Å
591K90.4Very high89.9Confident156 Ų15646 Ų4668%0.67821%0.211SC*.Hα-helixtrans-65.7-37.4-175-173.1-177.9175.2-171.60112.2S555 K594 T595S555-K591 PolarHBondContact OG-N 2.86Å; K591-K594 WeakPolarHBondContact O-CB 3.44Å; K591-K594 PolarHBondContact O-N 3.23Å; K591-T595 PolarHBondContact O-N 2.95Å; K591-T595 VanDerWaalsContact O-N 3.15Å; K591-T595 PolarHBondContact O-OG1 3.33Å; K591-T595 VanDerWaalsContact O-OG1 3.1Å
592A92.9Very high91.2Very high6 Ų643 Ų435%0.0520%0.2CC..Hα-helixtrans-64.7-45.8176.100000112D552 I557 Y590 K594 T595 M596D552-A592 HydrophobicContact CB-CB 3.86Å; D552-A592 WeakPolarHBondContact OD2-CB 3.3Å; I557-A592 HydrophobicContact CG2-CB 3.43Å; I557-A592 VanDerWaalsContact CG2-CB 3.43Å; Y590-A592 PolarHBondContact O-N 3.28Å; A592-K594 VanDerWaalsContact C-N 3.3Å; A592-K594 PolarHBondContact O-N 3.1Å; A592-T595 PolarHBondContact O-N 3.2Å; A592-T595 VanDerWaalsContact O-N 3.11Å; A592-M596 PolarHBondContact O-N 3.45Å
593Q94.8Very high92.2Very high0 Ų042.4 Ų42.40%020%0.202CC..Hα-helixtrans-58.5-40.8175.7-170.477.8-16.400111.6I557 N558 T588 Y590 T595 M596 I597 V632I557-Q593 VanDerWaalsContact CA-OE1 3.27Å; N558-Q593 PolarHBondContact O-NE2 2.98Å; T588-Q593 HydrophobicContact CG2-CB 4.38Å; Y590-Q593 PolarHBondContact O-N 2.84Å; Q593-T595 PolarHBondContact O-N 2.96Å; Q593-M596 PolarHBondContact O-N 2.85Å; Q593-I597 HydrophobicContact CG-CD1 3.81Å; Q593-I597 HydrophobicContact CG-CG1 4.41Å; Q593-I597 WeakPolarHBondContact O-CB 3.45Å; Q593-I597 VanDerWaalsContact O-CG1 3.27Å; Q593-I597 WeakPolarHBondContact O-CG1 3.48Å; Q593-I597 PolarHBondContact O-N 3.38Å; Q593-V632 HydrophobicContact CB-CG2 3.81Å; Q593-V632 HydrophobicContact CG-CG2 3.49Å; Q593-V632 VanDerWaalsContact CG-CG2 3.49Å
594K95Very high92.4Very high58 Ų5844.8 Ų44.825%0.25221%0.212SC..Hα-helixtrans-55.6-52.4172.8176.6-170.8176172.30111T588 Y590 K591 A592 M596 I597 Q598 V613 D614T588-K594 HydrophobicContact CG2-CB 3.88Å; Y590-K594 PolarHBondContact O-N 2.7Å; Y590-K594 VanDerWaalsContact O-N 3.12Å; K591-K594 WeakPolarHBondContact O-CB 3.44Å; K591-K594 PolarHBondContact O-N 3.23Å; A592-K594 VanDerWaalsContact C-N 3.3Å; A592-K594 PolarHBondContact O-N 3.1Å; K594-M596 VanDerWaalsContact C-N 3.35Å; K594-M596 PolarHBondContact O-N 3.35Å; K594-I597 PolarHBondContact O-N 3.21Å; K594-Q598 WeakPolarHBondContact O-CB 3.38Å; K594-Q598 PolarHBondContact O-N 3.25Å; K594-V613 HydrophobicContact CB-CG1 4.37Å; K594-V613 VanDerWaalsContact CE-O 3.24Å; K594-V613 WeakPolarHBondContact CE-O 3.4Å; K594-V613 HydrophobicContact CG-CB 4.37Å; K594-V613 HydrophobicContact CG-CG1 3.9Å; K594-D614 WeakPolarHBondContact CE-OD1 3.34Å; K594-D614 IonicContact NZ-OD1 3.83Å; K594-D614 PolarHBondContact NZ-OD1 3.4Å; K594-D614 IonicContact NZ-OD2 3.8Å
595T94Very high91.9Very high87 Ų8746.1 Ų46.153%0.53422%0.218SC..Hα-helixtrans-61.5-42.2-177.6-55.20000111.9K591 A592 Q593 Q598 K599K591-T595 PolarHBondContact O-N 2.95Å; K591-T595 VanDerWaalsContact O-N 3.15Å; K591-T595 PolarHBondContact O-OG1 3.33Å; K591-T595 VanDerWaalsContact O-OG1 3.1Å; A592-T595 PolarHBondContact O-N 3.2Å; A592-T595 VanDerWaalsContact O-N 3.11Å; Q593-T595 PolarHBondContact O-N 2.96Å; T595-Q598 PolarHBondContact O-N 2.9Å; T595-K599 WeakPolarHBondContact O-CB 3.19Å; T595-K599 PolarHBondContact O-N 3.47Å
596M94.4Very high90.9Very high56 Ų5652.3 Ų52.328%0.27625%0.251SS..Hα-helixtrans-67.5-45.7178.6-72-62.2-63.200112.5I557 I562 A592 Q593 K594 Q598 K599 D600I557-M596 HydrophobicContact CG2-CG 4.19Å; I562-M596 HydrophobicContact CD1-CB 3.55Å; A592-M596 PolarHBondContact O-N 3.45Å; Q593-M596 PolarHBondContact O-N 2.85Å; K594-M596 VanDerWaalsContact C-N 3.35Å; K594-M596 PolarHBondContact O-N 3.35Å; M596-Q598 VanDerWaalsContact C-N 3.33Å; M596-Q598 PolarHBondContact O-N 2.82Å; M596-K599 PolarHBondContact O-N 2.76Å; M596-D600 PolarHBondContact O-N 2.85Å
597I94.1Very high89.5Confident0 Ų062.7 Ų62.70%029%0.29CS..Hα-helixtrans-60.3-44.3175.4-67.4169.2000110.7I562 V565 I586 Q593 K594 K599 D600 L601 V613 T630I562-I597 HydrophobicContact CB-CG1 4.41Å; I562-I597 HydrophobicContact CD1-CG1 4.03Å; I562-I597 HydrophobicContact CG1-CD1 4.44Å; I562-I597 HydrophobicContact CG1-CG1 3.72Å; I562-I597 HydrophobicContact CG2-CG1 4.15Å; V565-I597 HydrophobicContact CG1-CG2 4.42Å; I586-I597 HydrophobicContact CD1-CG2 3.99Å; I586-I597 HydrophobicContact CG2-CD1 4.02Å; I586-I597 HydrophobicContact CG2-CG2 4.22Å; Q593-I597 HydrophobicContact CG-CD1 3.81Å; Q593-I597 HydrophobicContact CG-CG1 4.41Å; Q593-I597 WeakPolarHBondContact O-CB 3.45Å; Q593-I597 VanDerWaalsContact O-CG1 3.27Å; Q593-I597 WeakPolarHBondContact O-CG1 3.48Å; Q593-I597 PolarHBondContact O-N 3.38Å; K594-I597 PolarHBondContact O-N 3.21Å; I597-K599 PolarHBondContact O-N 2.76Å; I597-D600 PolarHBondContact O-N 3.41Å; I597-L601 HydrophobicContact CG2-CD1 3.79Å; I597-L601 HydrophobicContact CG2-CG 4.32Å; I597-L601 WeakPolarHBondContact O-CB 3.44Å; I597-L601 VanDerWaalsContact O-CG 3.25Å; I597-L601 WeakPolarHBondContact O-CG 3.36Å; I597-L601 PolarHBondContact O-N 3.49Å; I597-V613 HydrophobicContact CB-CG1 4.11Å; I597-V613 HydrophobicContact CG2-CG1 3.93Å; I597-V613 HydrophobicContact CG2-CG2 3.83Å; I597-T630 HydrophobicContact CD1-CG2 3.95Å
598Q92.9Very high88Confident56 Ų5670.7 Ų70.726%0.26233%0.325SS..Hα-helixtrans-61.2-44.8178.3-17461.95900111.6K594 T595 M596 D600 L601 D602 V613K594-Q598 WeakPolarHBondContact O-CB 3.38Å; K594-Q598 PolarHBondContact O-N 3.25Å; T595-Q598 PolarHBondContact O-N 2.9Å; M596-Q598 VanDerWaalsContact C-N 3.33Å; M596-Q598 PolarHBondContact O-N 2.82Å; Q598-D600 PolarHBondContact O-N 3.14Å; Q598-L601 PolarHBondContact O-N 3.05Å; Q598-D602 VanDerWaalsContact NE2-CG 3.26Å; Q598-D602 PolarHBondContact NE2-OD1 3.18Å; Q598-D602 PolarHBondContact NE2-OD2 2.93Å; Q598-D602 WeakPolarHBondContact O-CB 3.44Å; Q598-D602 VanDerWaalsContact O-CG 3.24Å; Q598-D602 PolarHBondContact O-N 3.01Å; Q598-V613 HydrophobicContact CB-CG2 4.35Å
599K92.1Very high86.4Confident135 Ų13571.6 Ų71.659%0.58733%0.334SS*.Hα-helixtrans-59.3-43.7177.5-179.8-178.8176.8-177.80112.7T595 M596 I597 K603T595-K599 WeakPolarHBondContact O-CB 3.19Å; T595-K599 PolarHBondContact O-N 3.47Å; M596-K599 PolarHBondContact O-N 2.76Å; I597-K599 PolarHBondContact O-N 2.76Å; K599-K603 WeakPolarHBondContact O-CB 3.21Å; K599-K603 PolarHBondContact O-N 3.13Å; K599-K603 VanDerWaalsContact O-N 3.11Å
600D92.4Very high85.7Confident49 Ų4971 Ų7126%0.26233%0.332SS..Hα-helixtrans-73.9-34-179.6-72.5-10.5000111.9I562 M566 M596 I597 Q598 K603 E604I562-D600 HydrophobicContact CG2-CB 4.45Å; M566-D600 HydrophobicContact CE-CB 4.48Å; M566-D600 WeakPolarHBondContact CE-O 3.25Å; M566-D600 HydrophobicContact SD-CB 4.47Å; M596-D600 PolarHBondContact O-N 2.85Å; I597-D600 PolarHBondContact O-N 3.41Å; Q598-D600 PolarHBondContact O-N 3.14Å; D600-K603 PolarHBondContact O-N 2.87Å; D600-E604 WeakPolarHBondContact O-CB 3.45Å; D600-E604 PolarHBondContact O-N 2.92Å
601L89.9Confident85.4Confident0 Ų071 Ų710%033%0.333CS..Hα-helixtrans-64.8-42.8170.5-71.8169.4000112.8M566 I569 I586 I597 Q598 K603 E604 F605 P610 V613M566-L601 HydrophobicContact CE-CD2 4.15Å; M566-L601 HydrophobicContact SD-CD2 3.57Å; M566-L601 VanDerWaalsContact SD-CD2 3.57Å; M566-L601 HydrophobicContact SD-CG 3.99Å; I569-L601 HydrophobicContact CD1-CD2 3.8Å; I586-L601 HydrophobicContact CD1-CD1 3.66Å; I597-L601 HydrophobicContact CG2-CD1 3.79Å; I597-L601 HydrophobicContact CG2-CG 4.32Å; I597-L601 WeakPolarHBondContact O-CB 3.44Å; I597-L601 VanDerWaalsContact O-CG 3.25Å; I597-L601 WeakPolarHBondContact O-CG 3.36Å; I597-L601 PolarHBondContact O-N 3.49Å; Q598-L601 PolarHBondContact O-N 3.05Å; L601-K603 VanDerWaalsContact C-N 3.26Å; L601-K603 PolarHBondContact O-N 2.82Å; L601-E604 PolarHBondContact O-N 3.43Å; L601-F605 HydrophobicContact CD2-CD2 4.07Å; L601-F605 HydrophobicContact CD2-CE2 3.95Å; L601-F605 WeakPolarHBondContact O-CB 3.16Å; L601-F605 WeakPolarHBondContact O-CD2 3.3Å; L601-F605 PolarHBondContact O-N 3.33Å; L601-F605 VanDerWaalsContact O-N 3.07Å; L601-P610 HydrophobicContact CD2-CG 3.88Å; L601-V613 HydrophobicContact CD1-CG2 3.5Å; L601-V613 VanDerWaalsContact CD1-CG2 3.5Å
602D88.9Confident85.5Confident52 Ų5266.5 Ų66.528%0.27831%0.314SS..Hα-helixtrans-68.6-28.5-180-71.5-28.3000112Q598 R607Q598-D602 VanDerWaalsContact NE2-CG 3.26Å; Q598-D602 PolarHBondContact NE2-OD1 3.18Å; Q598-D602 PolarHBondContact NE2-OD2 2.93Å; Q598-D602 WeakPolarHBondContact O-CB 3.44Å; Q598-D602 VanDerWaalsContact O-CG 3.24Å; Q598-D602 PolarHBondContact O-N 3.01Å; D602-R607 HydrophobicContact CB-CG 4.37Å; D602-R607 PolarHBondContact O-N 2.99Å
603K89.6Confident85.5Confident167 Ų16766.5 Ų66.573%0.72631%0.314SS*.Hα-helixtrans-74.5-46.2173.1-176.4-170.3173.4-1660112.8K599 D600 L601 F605K599-K603 WeakPolarHBondContact O-CB 3.21Å; K599-K603 PolarHBondContact O-N 3.13Å; K599-K603 VanDerWaalsContact O-N 3.11Å; D600-K603 PolarHBondContact O-N 2.87Å; L601-K603 VanDerWaalsContact C-N 3.26Å; L601-K603 PolarHBondContact O-N 2.82Å; K603-F605 VanDerWaalsContact C-N 3.35Å
604E86.1Confident85.4Confident91 Ų9167.5 Ų67.543%0.42532%0.319SS..Hα-helixtrans-77.4-20.1-175.5-162.380.9158.600112.9M566 K570 D600 L601M566-E604 HydrophobicContact CE-CB 3.41Å; M566-E604 VanDerWaalsContact CE-CB 3.41Å; M566-E604 HydrophobicContact CE-CG 3.76Å; K570-E604 WeakPolarHBondContact CE-OE1 3.45Å; K570-E604 IonicContact NZ-OE1 2.76Å; K570-E604 PolarHBondContact NZ-OE1 3.43Å; D600-E604 WeakPolarHBondContact O-CB 3.45Å; D600-E604 PolarHBondContact O-N 2.92Å; L601-E604 PolarHBondContact O-N 3.43Å
605F82.4Confident85.3Confident30 Ų3066.3 Ų66.313%0.13232%0.317CS..THydrogen-bonded Turntrans-131.933.3-171-57-63.8000114.4M566 I569 K570 K573 L601 K603 R607 K608 P610M566-F605 HydrophobicContact CE-CE2 4.05Å; I569-F605 HydrophobicContact CG2-CE2 3.92Å; I569-F605 HydrophobicContact CG2-CZ 4.03Å; K570-F605 HydrophobicContact CG-CZ 4.24Å; K573-F605 HydrophobicContact CD-CD1 4.29Å; K573-F605 HydrophobicContact CD-CE1 3.79Å; K573-F605 HydrophobicContact CD-CZ 4.22Å; L601-F605 HydrophobicContact CD2-CD2 4.07Å; L601-F605 HydrophobicContact CD2-CE2 3.95Å; L601-F605 WeakPolarHBondContact O-CB 3.16Å; L601-F605 WeakPolarHBondContact O-CD2 3.3Å; L601-F605 PolarHBondContact O-N 3.33Å; L601-F605 VanDerWaalsContact O-N 3.07Å; K603-F605 VanDerWaalsContact C-N 3.35Å; F605-R607 VanDerWaalsContact C-N 3.3Å; F605-R607 PolarHBondContact O-N 3.3Å; F605-K608 WeakPolarHBondContact O-CA 3.33Å; F605-K608 WeakPolarHBondContact O-CB 3.4Å; F605-K608 PolarHBondContact O-N 3.2Å; F605-P610 HydrophobicContact CD2-CG 3.49Å; F605-P610 VanDerWaalsContact CD2-CG 3.49Å; F605-P610 HydrophobicContact CE2-CG 3.69Å; F605-P610 HydrophobicContact CG-CG 4.11Å; F605-P610 HydrophobicContact CZ-CG 4.45Å
606D74.9Confident85Confident130 Ų13062.2 Ų62.270%0.69529%0.292SS*.THydrogen-bonded Turntrans50.641.4171.5-58.3-41.7000114.7K608D606-K608 PolarHBondContact O-N 3.34Å
607R66.8Low84.6Confident218 Ų21862 Ų6282%0.82329%0.291SS*.THydrogen-bonded Turntrans56.46.6-172.3-54.3178.2-179.5172.50.4115.3D602 F605 G609D602-R607 HydrophobicContact CB-CG 4.37Å; D602-R607 PolarHBondContact O-N 2.99Å; F605-R607 VanDerWaalsContact C-N 3.3Å; F605-R607 PolarHBondContact O-N 3.3Å; R607-G609 PolarHBondContact O-N 3.42Å; R607-G609 VanDerWaalsContact O-N 3.12Å
608K63.8Low84.3Confident168 Ų16863.9 Ų63.973%0.7331%0.308SS*.  trans-87.558.3169.9-64.9168.2-174.5161.90108.7F605 D606F605-K608 WeakPolarHBondContact O-CA 3.33Å; F605-K608 WeakPolarHBondContact O-CB 3.4Å; F605-K608 PolarHBondContact O-N 3.2Å; D606-K608 PolarHBondContact O-N 3.34Å
609G62.2Low84Confident18 Ų1861.3 Ų61.319%0.18630%0.295CS..  trans-47.1119.7-171.500000112.3F581 R607 A611F581-G609 WeakPolarHBondContact CB-O 3.46Å; R607-G609 PolarHBondContact O-N 3.42Å; R607-G609 VanDerWaalsContact O-N 3.12Å; G609-A611 VanDerWaalsContact C-N 3.26Å; G609-A611 PolarHBondContact O-N 2.98Å
610P72.9Confident83.6Confident7 Ų756.4 Ų56.45%0.04528%0.275CS..SBendtrans-82.2-4.3-170.436.2-40.8000114I569 K573 F581 L601 F605I569-P610 HydrophobicContact CG2-CB 4.26Å; I569-P610 HydrophobicContact CG2-CG 3.69Å; K573-P610 HydrophobicContact CD-CB 4.32Å; F581-P610 WeakPolarHBondContact CA-O 3.44Å; L601-P610 HydrophobicContact CD2-CG 3.88Å; F605-P610 HydrophobicContact CD2-CG 3.49Å; F605-P610 VanDerWaalsContact CD2-CG 3.49Å; F605-P610 HydrophobicContact CE2-CG 3.69Å; F605-P610 HydrophobicContact CG-CG 4.11Å; F605-P610 HydrophobicContact CZ-CG 4.45Å
611A83.8Confident82.9Confident6 Ų656.9 Ų56.95%0.0529%0.291CS..SBendtrans-148.4152.5-175.500000109.2I569 I584 I586 G609I569-A611 HydrophobicContact CD1-CB 4.46Å; I584-A611 HydrophobicContact CB-CB 3.78Å; I584-A611 HydrophobicContact CG2-CB 3.62Å; I586-A611 HydrophobicContact CD1-CB 3.48Å; I586-A611 VanDerWaalsContact CD1-CB 3.48Å; I586-A611 HydrophobicContact CG1-CB 4.05Å; G609-A611 VanDerWaalsContact C-N 3.26Å; G609-A611 PolarHBondContact O-N 2.98Å
612E90.7Very high82.8Confident62 Ų6260.7 Ų60.729%0.2931%0.305SS..EExtended strand (participates in β ladder)trans-94.5112.5176.1-173-175.1136.700109.6I584 G585 I586 F619 R622 K624I584-E612 PolarHBondContact O-N 2.74Å; I584-E612 VanDerWaalsContact O-N 3.16Å; G585-E612 CarbonylContact C-O 3.58Å; G585-E612 VanDerWaalsContact CA-O 3.31Å; G585-E612 WeakPolarHBondContact CA-O 3.3Å; I586-E612 PolarHBondContact N-O 3.39Å; E612-F619 HydrophobicContact CB-CE2 4.42Å; E612-F619 HydrophobicContact CG-CE2 4.14Å; E612-R622 WeakPolarHBondContact OE1-CD 3.3Å; E612-R622 IonicContact OE1-CZ 3.49Å; E612-R622 IonicContact OE1-NE 3.39Å; E612-R622 IonicContact OE1-NH1 3.47Å; E612-R622 PolarHBondContact OE1-NH1 3.14Å; E612-K624 WeakPolarHBondContact OE2-CE 3.35Å; E612-K624 IonicContact OE2-NZ 2.86Å; E612-K624 PolarHBondContact OE2-NZ 3.43Å
613V92.9Very high82.9Confident6 Ų662.5 Ų62.54%0.03631%0.312CS..EExtended strand (participates in β ladder)trans-92.2127.5179.3-159.70000110.3I586 K594 I597 Q598 L601I586-V613 HydrophobicContact CB-CG1 4.29Å; I586-V613 HydrophobicContact CD1-CG2 4.1Å; I586-V613 HydrophobicContact CG2-CG1 4.39Å; I586-V613 WeakPolarHBondContact O-CA 3.42Å; K594-V613 HydrophobicContact CB-CG1 4.37Å; K594-V613 VanDerWaalsContact CE-O 3.24Å; K594-V613 WeakPolarHBondContact CE-O 3.4Å; K594-V613 HydrophobicContact CG-CB 4.37Å; K594-V613 HydrophobicContact CG-CG1 3.9Å; I597-V613 HydrophobicContact CB-CG1 4.11Å; I597-V613 HydrophobicContact CG2-CG1 3.93Å; I597-V613 HydrophobicContact CG2-CG2 3.83Å; Q598-V613 HydrophobicContact CB-CG2 4.35Å; L601-V613 HydrophobicContact CD1-CG2 3.5Å; L601-V613 VanDerWaalsContact CD1-CG2 3.5Å
614D93.9Very high83.1Confident21 Ų2154.9 Ų54.911%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-153.9173.1169.3-131.8-35.1000114.7I586 I587 T588 K594 A618 F619 R622I586-D614 PolarHBondContact O-N 3.35Å; I587-D614 WeakPolarHBondContact CA-O 3.28Å; T588-D614 PolarHBondContact N-O 2.7Å; T588-D614 VanDerWaalsContact N-O 3.12Å; K594-D614 WeakPolarHBondContact CE-OD1 3.34Å; K594-D614 IonicContact NZ-OD1 3.83Å; K594-D614 PolarHBondContact NZ-OD1 3.4Å; K594-D614 IonicContact NZ-OD2 3.8Å; D614-A618 HydrophobicContact CB-CB 4.41Å; D614-A618 WeakPolarHBondContact OD1-CB 3.37Å; D614-F619 HydrophobicContact CB-CD2 3.73Å; D614-R622 IonicContact OD2-CZ 2.85Å; D614-R622 VanDerWaalsContact OD2-CZ 3.25Å; D614-R622 IonicContact OD2-NH1 3.72Å; D614-R622 PolarHBondContact OD2-NH1 3.41Å; D614-R622 IonicContact OD2-NH2 3.39Å; D614-R622 PolarHBondContact OD2-NH2 3.12Å
615T92.1Very high83.5Confident33 Ų3351.3 Ų51.320%0.20226%0.263CS..EExtended strand (participates in β ladder)trans-77.7153.7168.761.30000111.4T588 D617 A618 F619T588-T615 CarbonylContact O-C 3.21Å; T588-T615 VanDerWaalsContact O-CA 3.22Å; T588-T615 WeakPolarHBondContact O-CA 3.25Å; T615-D617 VanDerWaalsContact C-N 3.31Å; T615-D617 PolarHBondContact O-N 3.2Å; T615-A618 PolarHBondContact O-N 2.96Å; T615-A618 VanDerWaalsContact O-N 3.14Å; T615-A618 WeakPolarHBondContact OG1-CB 3.43Å; T615-F619 WeakPolarHBondContact O-CB 3.46Å; T615-F619 PolarHBondContact O-N 3.45Å
616V89.1Confident84.1Confident1 Ų149.9 Ų49.91%0.00626%0.257CS..THydrogen-bonded Turntrans-47.9-52.7178.3-179.30000112.3L453 I587 T588 H589 A618 F619 Q620 R649 V652 T653L453-V616 HydrophobicContact CD1-CG1 4.41Å; I587-V616 HydrophobicContact CG2-CB 4.27Å; I587-V616 HydrophobicContact CG2-CG2 3.59Å; T588-V616 PolarHBondContact O-N 3.42Å; H589-V616 VanDerWaalsContact CE1-CG2 3.44Å; H589-V616 WeakPolarHBondContact CE1-CG2 3.23Å; V616-A618 VanDerWaalsContact C-N 3.31Å; V616-A618 PolarHBondContact O-N 3.49Å; V616-F619 CarbonylContact O-C 3.52Å; V616-F619 PolarHBondContact O-N 3.35Å; V616-F619 VanDerWaalsContact O-N 3.09Å; V616-Q620 PolarHBondContact O-N 2.56Å; V616-R649 HydrophobicContact CG1-CB 4.13Å; V616-R649 HydrophobicContact CG1-CG 4.23Å; V616-V652 HydrophobicContact CG1-CB 4.14Å; V616-V652 HydrophobicContact CG1-CG1 3.85Å; V616-T653 VanDerWaalsContact CG1-OG1 3.31Å; V616-T653 WeakPolarHBondContact CG1-OG1 3.46Å; V616-T653 VanDerWaalsContact CG2-OG1 3.24Å; V616-T653 WeakPolarHBondContact CG2-OG1 3.43Å
617D85.9Confident85.1Confident51 Ų5143.7 Ų43.727%0.27322%0.223SC..THydrogen-bonded Turntrans-62.2-38.2-175.8-54.1-129.2000111.1L453 T615 Q620 R649L453-D617 HydrophobicContact CD1-CB 4.17Å; T615-D617 VanDerWaalsContact C-N 3.31Å; T615-D617 PolarHBondContact O-N 3.2Å; D617-Q620 WeakPolarHBondContact O-CB 3.32Å; D617-R649 IonicContact OD1-CZ 2.74Å; D617-R649 IonicContact OD1-NE 3.33Å; D617-R649 PolarHBondContact OD1-NE 3.36Å; D617-R649 VanDerWaalsContact OD1-NE 3.14Å; D617-R649 IonicContact OD1-NH2 3.53Å; D617-R649 PolarHBondContact OD1-NH2 3.36Å; D617-R649 IonicContact OD2-CZ 3.07Å; D617-R649 IonicContact OD2-NE 3.48Å; D617-R649 PolarHBondContact OD2-NE 3.12Å; D617-R649 IonicContact OD2-NH2 2.93Å
618A86.9Confident86.6Confident41 Ų4133.3 Ų33.334%0.33918%0.184SC..THydrogen-bonded Turntrans-74.3-31.5174.100000113.1D614 T615 V616 Q620 R622D614-A618 HydrophobicContact CB-CB 4.41Å; D614-A618 WeakPolarHBondContact OD1-CB 3.37Å; T615-A618 PolarHBondContact O-N 2.96Å; T615-A618 VanDerWaalsContact O-N 3.14Å; T615-A618 WeakPolarHBondContact OG1-CB 3.43Å; V616-A618 VanDerWaalsContact C-N 3.31Å; V616-A618 PolarHBondContact O-N 3.49Å; A618-Q620 PolarHBondContact O-N 2.97Å; A618-R622 VanDerWaalsContact C-NH2 3.33Å; A618-R622 VanDerWaalsContact O-CZ 3.28Å; A618-R622 PolarHBondContact O-NE 3.11Å; A618-R622 VanDerWaalsContact O-NE 3.12Å; A618-R622 PolarHBondContact O-NH2 3.42Å
619F87.5Confident88.2Confident1 Ų125.4 Ų25.40%0.00415%0.15CC..THydrogen-bonded Turntrans-78.21178.8-141.8-88.7000113.4I587 E612 D614 T615 V616 R622 K624 R656I587-F619 HydrophobicContact CD1-CB 4.33Å; I587-F619 HydrophobicContact CD1-CD1 3.66Å; I587-F619 HydrophobicContact CD1-CE1 4.07Å; I587-F619 HydrophobicContact CD1-CG 3.95Å; I587-F619 HydrophobicContact CG1-CD1 4.2Å; I587-F619 HydrophobicContact CG1-CD2 4.26Å; I587-F619 HydrophobicContact CG1-CE1 4.5Å; I587-F619 HydrophobicContact CG1-CG 4.07Å; E612-F619 HydrophobicContact CB-CE2 4.42Å; E612-F619 HydrophobicContact CG-CE2 4.14Å; D614-F619 HydrophobicContact CB-CD2 3.73Å; T615-F619 WeakPolarHBondContact O-CB 3.46Å; T615-F619 PolarHBondContact O-N 3.45Å; V616-F619 CarbonylContact O-C 3.52Å; V616-F619 PolarHBondContact O-N 3.35Å; V616-F619 VanDerWaalsContact O-N 3.09Å; F619-R622 HydrophobicContact CD1-CB 3.73Å; F619-R622 HydrophobicContact CD1-CG 4.48Å; F619-R622 HydrophobicContact CE1-CB 3.73Å; F619-R622 HydrophobicContact CG-CB 4.29Å; F619-R622 HydrophobicContact CZ-CB 4.29Å; F619-R622 WeakPolarHBondContact O-CB 3.49Å; F619-R622 PolarHBondContact O-N 3.21Å; F619-K624 HydrophobicContact CE1-CG 3.95Å; F619-K624 HydrophobicContact CZ-CD 4.36Å; F619-K624 HydrophobicContact CZ-CG 3.6Å; F619-R656 HydrophobicContact CD1-CB 4.21Å; F619-R656 HydrophobicContact CD1-CG 3.79Å; F619-R656 HydrophobicContact CE1-CB 4.26Å; F619-R656 HydrophobicContact CE1-CG 4.34Å
620Q83.2Confident89.8Confident33 Ų3324.5 Ų24.515%0.15414%0.141CC..THydrogen-bonded Turntrans-56.6147.8171.9-166.9168.16.700111.1V616 D617 A618 R622V616-Q620 PolarHBondContact O-N 2.56Å; D617-Q620 WeakPolarHBondContact O-CB 3.32Å; A618-Q620 PolarHBondContact O-N 2.97Å; Q620-R622 PolarHBondContact O-N 3.37Å
621G77.8Confident90.8Very high58 Ų5824.2 Ų24.260%0.59814%0.139SC*.THydrogen-bonded Turntrans73.9-35.7-171.900000115.4
622R86.7Confident91.2Very high80 Ų8023.9 Ų23.930%0.30214%0.136SC..  trans-68.4165.3-179.6-44.6-173.7-149.4173.77.5112.2E612 D614 A618 F619 Q620 R656E612-R622 WeakPolarHBondContact OE1-CD 3.3Å; E612-R622 IonicContact OE1-CZ 3.49Å; E612-R622 IonicContact OE1-NE 3.39Å; E612-R622 IonicContact OE1-NH1 3.47Å; E612-R622 PolarHBondContact OE1-NH1 3.14Å; D614-R622 IonicContact OD2-CZ 2.85Å; D614-R622 VanDerWaalsContact OD2-CZ 3.25Å; D614-R622 IonicContact OD2-NH1 3.72Å; D614-R622 PolarHBondContact OD2-NH1 3.41Å; D614-R622 IonicContact OD2-NH2 3.39Å; D614-R622 PolarHBondContact OD2-NH2 3.12Å; A618-R622 VanDerWaalsContact C-NH2 3.33Å; A618-R622 VanDerWaalsContact O-CZ 3.28Å; A618-R622 PolarHBondContact O-NE 3.11Å; A618-R622 VanDerWaalsContact O-NE 3.12Å; A618-R622 PolarHBondContact O-NH2 3.42Å; F619-R622 HydrophobicContact CD1-CB 3.73Å; F619-R622 HydrophobicContact CD1-CG 4.48Å; F619-R622 HydrophobicContact CE1-CB 3.73Å; F619-R622 HydrophobicContact CG-CB 4.29Å; F619-R622 HydrophobicContact CZ-CB 4.29Å; F619-R622 WeakPolarHBondContact O-CB 3.49Å; F619-R622 PolarHBondContact O-N 3.21Å; Q620-R622 PolarHBondContact O-N 3.37Å; R622-R656 WeakPolarHBondContact O-CD 3.31Å; R622-R656 PolarHBondContact O-NH1 3.01Å
623Q90.9Very high91Very high91 Ų9121.8 Ų21.843%0.42513%0.126SC..  trans-157.1147.3175.659.8-179.219.500110.9R656Q623-R656 CarbonylContact C-O 3.49Å; Q623-R656 VanDerWaalsContact CA-O 3.29Å; Q623-R656 WeakPolarHBondContact CA-O 3.32Å
624K94.3Very high90.5Very high6 Ų622.1 Ų22.13%0.02613%0.129CC..EExtended strand (participates in β ladder)trans-136.4164-176.2-67.4-71-168.3169.70111.6F581 R582 I584 E612 F619 C626 V627 R656 A657 K658F581-K624 PolarHBondContact O-NZ 3.33Å; R582-K624 WeakPolarHBondContact O-CD 3.48Å; R582-K624 PolarHBondContact O-NZ 3.08Å; I584-K624 WeakPolarHBondContact O-CD 3.34Å; I584-K624 WeakPolarHBondContact O-CE 3.23Å; I584-K624 PolarHBondContact O-NZ 3.49Å; E612-K624 WeakPolarHBondContact OE2-CE 3.35Å; E612-K624 IonicContact OE2-NZ 2.86Å; E612-K624 PolarHBondContact OE2-NZ 3.43Å; F619-K624 HydrophobicContact CE1-CG 3.95Å; F619-K624 HydrophobicContact CZ-CD 4.36Å; F619-K624 HydrophobicContact CZ-CG 3.6Å; K624-C626 WeakPolarHBondContact CB-O 3.44Å; K624-V627 HydrophobicContact CB-CG2 3.86Å; K624-R656 PolarHBondContact N-O 2.71Å; K624-A657 CarbonylContact O-C 3.29Å; K624-K658 WeakPolarHBondContact O-CB 3.12Å; K624-K658 WeakPolarHBondContact O-CE 3.42Å; K624-K658 WeakPolarHBondContact O-CG 3.3Å; K624-K658 PolarHBondContact O-N 3.44Å
625D93.9Very high89.7Confident17 Ų1722.7 Ų22.79%0.09113%0.132CC..EExtended strand (participates in β ladder)trans-79.7-47178.6-63.1-51.8000111.2W534 N583 K658 Y659 S660W534-D625 HydrophobicContact CH2-CB 3.94Å; W534-D625 HydrophobicContact CZ3-CB 4.27Å; N583-D625 HydrophobicContact CB-CB 4.3Å; N583-D625 PolarHBondContact ND2-OD2 3.17Å; N583-D625 WeakPolarHBondContact O-CA 3.34Å; N583-D625 PolarHBondContact O-N 2.95Å; D625-K658 VanDerWaalsContact CG-NZ 3.32Å; D625-K658 WeakPolarHBondContact OD1-CD 3.24Å; D625-K658 WeakPolarHBondContact OD1-CE 3.31Å; D625-K658 IonicContact OD1-NZ 2.74Å; D625-K658 PolarHBondContact OD1-NZ 3.31Å; D625-K658 IonicContact OD2-NZ 2.8Å; D625-K658 PolarHBondContact OD2-NZ 3.39Å; D625-Y659 HydrophobicContact CB-CD2 3.79Å; D625-Y659 HydrophobicContact CB-CE2 4.26Å; D625-Y659 PolarHBondContact O-N 3.49Å; D625-Y659 WeakPolarHBondContact OD1-CD2 3.46Å; D625-Y659 WeakPolarHBondContact OD1-CE2 3.33Å; D625-S660 PolarHBondContact O-N 2.89Å
626C95.3Very high88.2Confident0 Ų023.5 Ų23.50%014%0.139CC..EExtended strand (participates in β ladder)trans-109.7137164.7-163.50000110.2W534 N583 I584 G585 K624 S660W534-C626 HydrophobicContact CH2-CB 4.29Å; W534-C626 HydrophobicContact CZ2-CB 4Å; N583-C626 PolarHBondContact O-N 2.97Å; I584-C626 WeakPolarHBondContact CA-O 3.3Å; I584-C626 HydrophobicContact CG1-CB 4.49Å; G585-C626 PolarHBondContact N-O 3.08Å; K624-C626 WeakPolarHBondContact CB-O 3.44Å; C626-S660 CarbonylContact C-O 3.59Å; C626-S660 WeakPolarHBondContact CA-O 3.45Å
627V97.2Very high86.8Confident0 Ų031 Ų310%018%0.177CC..EExtended strand (participates in β ladder)trans-123.5132.1168.3175.40000109.5G585 I587 K624 V629 R656 A657 S660 L661 F662G585-V627 WeakPolarHBondContact O-CA 3.4Å; I587-V627 HydrophobicContact CD1-CG1 3.66Å; I587-V627 HydrophobicContact CG1-CG1 3.98Å; K624-V627 HydrophobicContact CB-CG2 3.86Å; V627-V629 HydrophobicContact CG1-CG2 4Å; V627-R656 HydrophobicContact CG2-CB 4.03Å; V627-A657 HydrophobicContact CB-CB 4.04Å; V627-A657 HydrophobicContact CG2-CB 3.88Å; V627-S660 PolarHBondContact N-O 3.47Å; V627-L661 HydrophobicContact CB-CD1 4.05Å; V627-L661 HydrophobicContact CG1-CD1 3.98Å; V627-L661 WeakPolarHBondContact O-CA 3.23Å; V627-F662 PolarHBondContact O-N 2.83Å
628I97.8Very high85.5Confident0 Ų035.7 Ų35.70%020%0.198CC..EExtended strand (participates in β ladder)trans-109.6134169.1-50172000107.7V565 I568 I569 G585 I586 I587 F662 L664V565-I628 HydrophobicContact CG2-CG2 4.02Å; I568-I628 HydrophobicContact CB-CD1 4.37Å; I568-I628 HydrophobicContact CG2-CD1 3.64Å; I568-I628 HydrophobicContact CG2-CG1 4.36Å; I569-I628 HydrophobicContact CD1-CD1 4.16Å; I569-I628 HydrophobicContact CG1-CD1 3.75Å; G585-I628 PolarHBondContact O-N 2.77Å; I586-I628 CarbonylContact C-O 3.59Å; I586-I628 VanDerWaalsContact CA-O 3.3Å; I586-I628 WeakPolarHBondContact CA-O 3.42Å; I586-I628 HydrophobicContact CG1-CB 4.32Å; I586-I628 HydrophobicContact CG1-CD1 4.49Å; I587-I628 PolarHBondContact N-O 2.97Å; I628-F662 CarbonylContact C-O 3.56Å; I628-F662 VanDerWaalsContact CA-O 3.31Å; I628-F662 WeakPolarHBondContact CA-O 3.08Å; I628-F662 HydrophobicContact CG1-CD2 4.42Å; I628-L664 HydrophobicContact CG2-CD1 3.83Å; I628-L664 HydrophobicContact CG2-CD2 4.49Å; I628-L664 HydrophobicContact CG2-CG 4.01Å
629V97.5Very high83.9Confident1 Ų134.7 Ų34.71%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-116129.3-179.2-1760000109.1I587 V627 T653 L661 F662 I663 L664I587-V629 CarbonylContact O-C 3.03Å; I587-V629 WeakPolarHBondContact O-CA 3.45Å; V627-V629 HydrophobicContact CG1-CG2 4Å; V629-T653 HydrophobicContact CB-CG2 4.29Å; V629-T653 HydrophobicContact CG1-CG2 3.66Å; V629-T653 HydrophobicContact CG2-CG2 3.55Å; V629-L661 HydrophobicContact CG2-CD1 3.75Å; V629-F662 PolarHBondContact N-O 2.85Å; V629-I663 HydrophobicContact CB-CG1 4.23Å; V629-I663 HydrophobicContact CG2-CG1 4.26Å; V629-L664 PolarHBondContact O-N 2.98Å
630T95.9Very high82.8Confident0 Ų036.7 Ų36.70%021%0.205CC..EExtended strand (participates in β ladder)trans-106.3117.9171540000109.9E561 V565 I587 T588 I597 L664E561-T630 HydrophobicContact CB-CG2 4.22Å; E561-T630 VanDerWaalsContact OE2-CA 3.24Å; E561-T630 WeakPolarHBondContact OE2-CA 3.15Å; E561-T630 WeakPolarHBondContact OE2-CB 3.21Å; V565-T630 HydrophobicContact CG2-CG2 3.57Å; I587-T630 PolarHBondContact O-N 3.29Å; T588-T630 WeakPolarHBondContact CB-OG1 3.24Å; T588-T630 PolarHBondContact OG1-OG1 2.81Å; T588-T630 VanDerWaalsContact OG1-OG1 3.13Å; I597-T630 HydrophobicContact CD1-CG2 3.95Å; T630-L664 HydrophobicContact CG2-CD1 4.43Å
631C93.1Very high82.1Confident0 Ų035.1 Ų35.10%020%0.198CC..  trans-79.9-27.7178.9-69.20000112.3E561 R633 L644 L664 L670 W705E561-C631 PolarHBondContact OE2-N 2.94Å; C631-R633 PolarHBondContact O-N 2.94Å; C631-L644 WeakPolarHBondContact O-CD1 3.47Å; C631-L664 WeakPolarHBondContact CB-O 3.45Å; C631-L664 PolarHBondContact N-O 3.36Å; C631-L664 PolarHBondContact SG-O 3.4Å; C631-L670 HydrophobicContact CB-CD1 3.93Å; C631-L670 HydrophobicContact CB-CD2 4.2Å; C631-W705 WeakPolarHBondContact SG-CH2 3.45Å; C631-W705 VanDerWaalsContact SG-CZ3 3.51Å
632V91.6Very high81.9Confident0 Ų033.9 Ų33.90%019%0.186CC..  trans66.3-46.5-179.8-173.80000115.2N558 E561 Y590 Q593 A634N558-V632 HydrophobicContact CB-CB 4.32Å; N558-V632 HydrophobicContact CB-CG1 3.85Å; N558-V632 WeakPolarHBondContact CB-O 3.31Å; N558-V632 PolarHBondContact ND2-O 2.97Å; E561-V632 VanDerWaalsContact CD-N 3.27Å; E561-V632 VanDerWaalsContact OE1-CA 3.24Å; E561-V632 WeakPolarHBondContact OE1-CA 3.41Å; E561-V632 PolarHBondContact OE1-N 3.5Å; E561-V632 PolarHBondContact OE2-N 3.11Å; Y590-V632 HydrophobicContact CD2-CB 3.61Å; Y590-V632 HydrophobicContact CD2-CG1 4.08Å; Y590-V632 HydrophobicContact CD2-CG2 3.67Å; Y590-V632 HydrophobicContact CE2-CB 3.95Å; Y590-V632 HydrophobicContact CE2-CG2 4.4Å; Q593-V632 HydrophobicContact CB-CG2 3.81Å; Q593-V632 HydrophobicContact CG-CG2 3.49Å; Q593-V632 VanDerWaalsContact CG-CG2 3.49Å; V632-A634 PolarHBondContact O-N 3.07Å
633R88.1Confident81Confident18 Ų1836.4 Ų36.47%0.06820%0.199CC..  trans-69.5126.4-170.5-58.6-54.6-55.2-702.9112.1E549 Y590 C631 S640 I641 L644 T669E549-R633 VanDerWaalsContact CD-NE 3.26Å; E549-R633 IonicContact OE1-CZ 2.76Å; E549-R633 IonicContact OE1-NE 3.81Å; E549-R633 PolarHBondContact OE1-NE 3.4Å; E549-R633 VanDerWaalsContact OE1-NE 3.13Å; E549-R633 IonicContact OE1-NH2 3.13Å; E549-R633 PolarHBondContact OE1-NH2 3.48Å; E549-R633 VanDerWaalsContact OE2-CA 3.23Å; E549-R633 WeakPolarHBondContact OE2-CA 3.48Å; E549-R633 IonicContact OE2-CZ 3.74Å; E549-R633 IonicContact OE2-NE 2.78Å; E549-R633 PolarHBondContact OE2-NE 3.44Å; E549-R633 IonicContact OE2-NH2 2.82Å; E549-R633 PolarHBondContact OE2-NH2 3.06Å; Y590-R633 HydrophobicContact CE2-CG 4.02Å; Y590-R633 WeakPolarHBondContact OH-CD 3.41Å; Y590-R633 WeakPolarHBondContact OH-CG 3.17Å; C631-R633 PolarHBondContact O-N 2.94Å; R633-S640 PolarHBondContact NH1-O 3.37Å; R633-S640 PolarHBondContact NH2-O 3.11Å; R633-I641 PolarHBondContact NH1-O 3.24Å; R633-L644 HydrophobicContact CB-CD1 3.99Å; R633-L644 HydrophobicContact CG-CD1 3.51Å; R633-T669 HydrophobicContact CB-CG2 4.16Å
634A81.1Confident80.3Confident12 Ų1232 Ų3210%0.09918%0.179CC..  trans-142.28.1-174.800000113.9G547 E549 V632 S636 H666 T669G547-A634 WeakPolarHBondContact O-CB 3.37Å; E549-A634 HydrophobicContact CB-CB 4.47Å; E549-A634 PolarHBondContact OE2-N 3.3Å; V632-A634 PolarHBondContact O-N 3.07Å; A634-S636 PolarHBondContact O-N 3.25Å; A634-H666 HydrophobicContact CB-CB 3.71Å; A634-H666 PolarHBondContact O-ND1 3Å; A634-T669 WeakPolarHBondContact CA-OG1 3.21Å; A634-T669 PolarHBondContact O-OG1 3.32Å
635N77.8Confident79.4Confident34 Ų3433 Ų3318%0.18219%0.188CC..  trans-71.7120.7171.7-179.6-21.5000110.7E549 I637 Q638 T669E549-N635 HydrophobicContact CG-CB 4.13Å; E549-N635 WeakPolarHBondContact OE1-CB 3.43Å; E549-N635 WeakPolarHBondContact OE2-CB 3.35Å; E549-N635 PolarHBondContact OE2-N 3.41Å; N635-I637 PolarHBondContact OD1-N 3.13Å; N635-Q638 PolarHBondContact ND2-OE1 2.96Å; N635-Q638 PolarHBondContact OD1-N 3.35Å; N635-T669 VanDerWaalsContact C-OG1 3.24Å; N635-T669 PolarHBondContact N-OG1 3.47Å; N635-T669 VanDerWaalsContact O-CG2 3.27Å; N635-T669 WeakPolarHBondContact O-CG2 3.19Å; N635-T669 PolarHBondContact O-OG1 3.02Å
636S61.4Low79Confident50 Ų5033.6 Ų33.635%0.3519%0.193SC..SBendtrans-100.31.5-178.157.10000114.2A634 Q672A634-S636 PolarHBondContact O-N 3.25Å; S636-Q672 PolarHBondContact O-NE2 2.78Å; S636-Q672 PolarHBondContact O-OE1 3.08Å
637I59.5Low78.7Confident158 Ų15836 Ų3681%0.8121%0.205SC*.SBendtrans-101.7-43.9-175.7-57.2175.6000110.6N635N635-I637 PolarHBondContact OD1-N 3.13Å
638Q57.3Low78.4Confident150 Ų15039.1 Ų39.170%0.70122%0.22SC*.SBendtrans-93.5-14-175.4-71175.8-36.200114.5N635 S640N635-Q638 PolarHBondContact ND2-OE1 2.96Å; N635-Q638 PolarHBondContact OD1-N 3.35Å; Q638-S640 PolarHBondContact O-N 3.38Å
639G54.6Low78.1Confident19 Ų1941.4 Ų41.420%0.19623%0.229CC..  trans68.8-31.1169.700000117.7I641 N702G639-I641 PolarHBondContact O-N 3.09Å; G639-N702 PolarHBondContact O-ND2 3.01Å
640S63.1Low77.9Confident43 Ų4341.4 Ų41.430%0.30123%0.229SC..  trans-72.8119.3-176.8178.80000112.2R633 Q638 G642 E701R633-S640 PolarHBondContact NH1-O 3.37Å; R633-S640 PolarHBondContact NH2-O 3.11Å; Q638-S640 PolarHBondContact O-N 3.38Å; S640-G642 PolarHBondContact OG-N 2.99Å; S640-E701 VanDerWaalsContact CA-OE2 3.32Å; S640-E701 WeakPolarHBondContact CA-OE2 3.4Å; S640-E701 WeakPolarHBondContact CB-OE2 3.44Å; S640-E701 PolarHBondContact OG-OE2 3.1Å
641I68.8Low77.8Confident0 Ų041.5 Ų41.50%023%0.229CC..  trans-82.9-12.5173.867179.8000112.7Y590 R633 G639 F643 L644 A645 T669 L670 N702 W705Y590-I641 PolarHBondContact OH-O 3.3Å; Y590-I641 VanDerWaalsContact OH-O 3.11Å; R633-I641 PolarHBondContact NH1-O 3.24Å; G639-I641 PolarHBondContact O-N 3.09Å; I641-F643 PolarHBondContact O-N 3.42Å; I641-L644 HydrophobicContact CB-CB 3.91Å; I641-L644 HydrophobicContact CB-CD1 3.88Å; I641-L644 HydrophobicContact CD1-CB 3.71Å; I641-L644 HydrophobicContact CG1-CB 3.77Å; I641-A645 HydrophobicContact CD1-CB 4.34Å; I641-A645 HydrophobicContact CG1-CB 4.12Å; I641-T669 HydrophobicContact CG2-CG2 4.15Å; I641-L670 HydrophobicContact CG2-CD2 4.21Å; I641-N702 WeakPolarHBondContact CD1-OD1 2.95Å; I641-N702 WeakPolarHBondContact CG1-OD1 3.12Å; I641-N702 VanDerWaalsContact CG2-OD1 3.28Å; I641-N702 WeakPolarHBondContact CG2-OD1 3.39Å; I641-W705 VanDerWaalsContact CD1-CD1 3.45Å; I641-W705 HydrophobicContact CD1-CG 4.23Å
642G73.8Confident77.9Confident33 Ų3341.5 Ų41.534%0.3423%0.229SC..G310 helixtrans61.9-123.3176.900000113.1S640 L644 A645S640-G642 PolarHBondContact OG-N 2.99Å; G642-L644 PolarHBondContact O-N 2.73Å; G642-A645 VanDerWaalsContact O-CB 3.27Å; G642-A645 WeakPolarHBondContact O-CB 3.11Å; G642-A645 PolarHBondContact O-N 2.81Å
643F69.1Low78Confident132 Ų13241.6 Ų41.658%0.57923%0.23SC*.G310 helixtrans-51.1-25.6-175.8-78.5-95.4000115.6I641 A645 R649I641-F643 PolarHBondContact O-N 3.42Å; F643-A645 VanDerWaalsContact C-N 3.3Å; F643-A645 PolarHBondContact O-N 2.86Å; F643-R649 PolarHBondContact O-NH1 3.17Å
644L74.8Confident78.3Confident0 Ų041 Ų410%023%0.228CC..G310 helixtrans-66.2-23.5174.9-74.6159000114.1H589 Y590 C631 R633 I641 G642 S646 L670 W705H589-L644 HydrophobicContact CB-CD2 4.3Å; H589-L644 HydrophobicContact CB-CG 4.43Å; H589-L644 WeakPolarHBondContact ND1-CD2 3.48Å; Y590-L644 HydrophobicContact CE2-CD1 4.4Å; C631-L644 WeakPolarHBondContact O-CD1 3.47Å; R633-L644 HydrophobicContact CB-CD1 3.99Å; R633-L644 HydrophobicContact CG-CD1 3.51Å; I641-L644 HydrophobicContact CB-CB 3.91Å; I641-L644 HydrophobicContact CB-CD1 3.88Å; I641-L644 HydrophobicContact CD1-CB 3.71Å; I641-L644 HydrophobicContact CG1-CB 3.77Å; G642-L644 PolarHBondContact O-N 2.73Å; L644-S646 PolarHBondContact O-N 2.89Å; L644-S646 VanDerWaalsContact O-N 3.13Å; L644-L670 HydrophobicContact CD1-CD2 4.22Å; L644-W705 HydrophobicContact CD2-CH2 4.32Å; L644-W705 HydrophobicContact CD2-CZ2 3.52Å; L644-W705 PolarHBondContact O-NE1 3.33Å
645A75.8Confident79Confident27 Ų2740.4 Ų40.422%0.22322%0.223CC..G310 helixtrans-68-9.1-173.600000114.3I641 G642 F643 L647 E701 H704I641-A645 HydrophobicContact CD1-CB 4.34Å; I641-A645 HydrophobicContact CG1-CB 4.12Å; G642-A645 VanDerWaalsContact O-CB 3.27Å; G642-A645 WeakPolarHBondContact O-CB 3.11Å; G642-A645 PolarHBondContact O-N 2.81Å; F643-A645 VanDerWaalsContact C-N 3.3Å; F643-A645 PolarHBondContact O-N 2.86Å; A645-L647 PolarHBondContact O-N 3.02Å; A645-E701 HydrophobicContact CB-CB 4.24Å; A645-E701 VanDerWaalsContact CB-O 3.3Å; A645-E701 WeakPolarHBondContact CB-O 3.21Å; A645-H704 PolarHBondContact O-CD2 3.33Å
646S85.4Confident79.9Confident29 Ų2938.9 Ų38.920%0.20322%0.215CC..  trans-75.5114.8178174.10000112L644 Q648 R649 L650L644-S646 PolarHBondContact O-N 2.89Å; L644-S646 VanDerWaalsContact O-N 3.13Å; S646-Q648 PolarHBondContact O-N 3.23Å; S646-Q648 PolarHBondContact OG-N 3.35Å; S646-R649 PolarHBondContact O-N 2.7Å; S646-R649 VanDerWaalsContact O-N 3.1Å; S646-R649 PolarHBondContact OG-N 3.26Å; S646-L650 PolarHBondContact O-N 2.85Å
647L89.8Confident81.5Confident49 Ų4936.5 Ų36.526%0.25720%0.198SC..Hα-helixtrans-53.3-36169.8-177.956.3000112.4Y513 V514 A645 L650 N651 H704Y513-L647 HydrophobicContact CD1-CD1 3.97Å; Y513-L647 HydrophobicContact CE1-CD1 3.67Å; V514-L647 HydrophobicContact CG2-CD1 4.07Å; A645-L647 PolarHBondContact O-N 3.02Å; L647-L650 PolarHBondContact O-N 2.96Å; L647-N651 VanDerWaalsContact O-CB 3.25Å; L647-N651 WeakPolarHBondContact O-CB 3.45Å; L647-N651 PolarHBondContact O-N 3.41Å; L647-H704 HydrophobicContact CD1-CB 4.17Å
648Q91.2Very high83.3Confident66 Ų6630.8 Ų30.831%0.30817%0.168SC..Hα-helixtrans-68.5-40.2179-67.3161.3-47.300111.6Q452 S646 V652Q452-Q648 VanDerWaalsContact O-CG 3.32Å; Q452-Q648 WeakPolarHBondContact O-CG 3.49Å; Q452-Q648 PolarHBondContact O-NE2 3.08Å; S646-Q648 PolarHBondContact O-N 3.23Å; S646-Q648 PolarHBondContact OG-N 3.35Å; Q648-V652 WeakPolarHBondContact O-CB 3.12Å; Q648-V652 VanDerWaalsContact O-CG2 3.31Å; Q648-V652 WeakPolarHBondContact O-CG2 3.46Å; Q648-V652 PolarHBondContact O-N 3.01Å
649R90.9Very high85.1Confident49 Ų4925.8 Ų25.819%0.18514%0.143CC..Hα-helixtrans-64.4-43.6170.9-76.3-168.6178.5101.612.6111.9L453 V616 D617 F643 S646 V652 T653L453-R649 HydrophobicContact CD1-CG 4.5Å; L453-R649 HydrophobicContact CD2-CG 3.69Å; L453-R649 HydrophobicContact CG-CG 4.32Å; V616-R649 HydrophobicContact CG1-CB 4.13Å; V616-R649 HydrophobicContact CG1-CG 4.23Å; D617-R649 IonicContact OD1-CZ 2.74Å; D617-R649 IonicContact OD1-NE 3.33Å; D617-R649 PolarHBondContact OD1-NE 3.36Å; D617-R649 VanDerWaalsContact OD1-NE 3.14Å; D617-R649 IonicContact OD1-NH2 3.53Å; D617-R649 PolarHBondContact OD1-NH2 3.36Å; D617-R649 IonicContact OD2-CZ 3.07Å; D617-R649 IonicContact OD2-NE 3.48Å; D617-R649 PolarHBondContact OD2-NE 3.12Å; D617-R649 IonicContact OD2-NH2 2.93Å; F643-R649 PolarHBondContact O-NH1 3.17Å; S646-R649 PolarHBondContact O-N 2.7Å; S646-R649 VanDerWaalsContact O-N 3.1Å; S646-R649 PolarHBondContact OG-N 3.26Å; R649-V652 PolarHBondContact O-N 3.39Å; R649-T653 VanDerWaalsContact O-CB 3.3Å; R649-T653 WeakPolarHBondContact O-CB 3.35Å; R649-T653 PolarHBondContact O-N 2.9Å; R649-T653 PolarHBondContact O-OG1 2.86Å
650L92.5Very high87.1Confident1 Ų124.9 Ų24.91%0.00513%0.133CC..Hα-helixtrans-59.2-48.8177.2-176.859.8000111.3F509 S646 L647 T653 I654 H704 W705 L708F509-L650 HydrophobicContact CE1-CD2 4.25Å; F509-L650 HydrophobicContact CZ-CD2 4.41Å; S646-L650 PolarHBondContact O-N 2.85Å; L647-L650 PolarHBondContact O-N 2.96Å; L650-T653 WeakPolarHBondContact O-CB 3.5Å; L650-T653 PolarHBondContact O-N 3.16Å; L650-I654 HydrophobicContact CD1-CD1 3.82Å; L650-I654 HydrophobicContact CD1-CG1 4.27Å; L650-I654 HydrophobicContact CG-CD1 3.84Å; L650-I654 VanDerWaalsContact O-CG1 3.32Å; L650-I654 WeakPolarHBondContact O-CG1 3.38Å; L650-I654 PolarHBondContact O-N 2.83Å; L650-H704 HydrophobicContact CD2-CB 3.78Å; L650-W705 HydrophobicContact CD1-CD2 4.14Å; L650-W705 HydrophobicContact CD1-CE3 4.27Å; L650-W705 HydrophobicContact CD1-CH2 3.75Å; L650-W705 HydrophobicContact CD1-CZ2 3.59Å; L650-W705 HydrophobicContact CD1-CZ3 4.09Å; L650-L708 HydrophobicContact CD1-CD1 4.12Å
651N94.7Very high88.8Confident2 Ų222.9 Ų22.91%0.01112%0.119CC..Hα-helixtrans-60.5-46.9176.4-178.826.6000112.2K451 V514 Y515 L647 T653 T655K451-N651 PolarHBondContact O-ND2 3.27Å; V514-N651 HydrophobicContact CG1-CB 4.45Å; V514-N651 HydrophobicContact CG2-CB 4.39Å; Y515-N651 PolarHBondContact OH-ND2 2.95Å; L647-N651 VanDerWaalsContact O-CB 3.25Å; L647-N651 WeakPolarHBondContact O-CB 3.45Å; L647-N651 PolarHBondContact O-N 3.41Å; N651-T653 PolarHBondContact O-N 3.17Å; N651-T655 WeakPolarHBondContact O-CB 3.33Å; N651-T655 WeakPolarHBondContact O-CG2 3.32Å; N651-T655 PolarHBondContact O-N 3.13Å; N651-T655 PolarHBondContact O-OG1 3.44Å
652V94.3Very high90.2Very high0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-56.6-52173.5168.40000110.1Q452 L453 V616 Q648 R649 I654 T655 R656Q452-V652 HydrophobicContact CB-CG2 3.94Å; Q452-V652 HydrophobicContact CG-CG2 3.74Å; L453-V652 HydrophobicContact CB-CG2 4.13Å; L453-V652 HydrophobicContact CD1-CG1 4.44Å; L453-V652 HydrophobicContact CD1-CG2 4.17Å; L453-V652 HydrophobicContact CG-CG2 3.95Å; V616-V652 HydrophobicContact CG1-CB 4.14Å; V616-V652 HydrophobicContact CG1-CG1 3.85Å; Q648-V652 WeakPolarHBondContact O-CB 3.12Å; Q648-V652 VanDerWaalsContact O-CG2 3.31Å; Q648-V652 WeakPolarHBondContact O-CG2 3.46Å; Q648-V652 PolarHBondContact O-N 3.01Å; R649-V652 PolarHBondContact O-N 3.39Å; V652-I654 PolarHBondContact O-N 3.33Å; V652-T655 PolarHBondContact O-N 2.78Å; V652-T655 PolarHBondContact O-OG1 3.35Å; V652-R656 WeakPolarHBondContact O-CD 3.46Å; V652-R656 VanDerWaalsContact O-CG 3.3Å; V652-R656 WeakPolarHBondContact O-CG 3.49Å; V652-R656 PolarHBondContact O-N 2.86Å; V652-R656 PolarHBondContact O-NE 2.82Å; V652-R656 PolarHBondContact O-NH2 3.35Å
653T94.3Very high91.3Very high2 Ų221.5 Ų21.51%0.01210%0.104CC..Hα-helixtrans-54.5-55.7-175.9-59.50000112.6I587 V616 V629 R649 L650 N651 T655 R656I587-T653 HydrophobicContact CG2-CG2 4.23Å; V616-T653 VanDerWaalsContact CG1-OG1 3.31Å; V616-T653 WeakPolarHBondContact CG1-OG1 3.46Å; V616-T653 VanDerWaalsContact CG2-OG1 3.24Å; V616-T653 WeakPolarHBondContact CG2-OG1 3.43Å; V629-T653 HydrophobicContact CB-CG2 4.29Å; V629-T653 HydrophobicContact CG1-CG2 3.66Å; V629-T653 HydrophobicContact CG2-CG2 3.55Å; R649-T653 VanDerWaalsContact O-CB 3.3Å; R649-T653 WeakPolarHBondContact O-CB 3.35Å; R649-T653 PolarHBondContact O-N 2.9Å; R649-T653 PolarHBondContact O-OG1 2.86Å; L650-T653 WeakPolarHBondContact O-CB 3.5Å; L650-T653 PolarHBondContact O-N 3.16Å; N651-T653 PolarHBondContact O-N 3.17Å; T653-T655 VanDerWaalsContact C-N 3.29Å; T653-T655 PolarHBondContact O-N 2.95Å; T653-R656 PolarHBondContact O-N 2.67Å
654I95.1Very high92.6Very high4 Ų415.2 Ų15.22%0.0218%0.076CC..Hα-helixtrans-59.5-43.6-178.2-65.3165.2000110.6I506 F509 P510 L650 V652 R656 A657 L661 L708I506-I654 HydrophobicContact CG2-CG2 4.09Å; F509-I654 HydrophobicContact CD1-CD1 3.62Å; F509-I654 HydrophobicContact CE1-CD1 3.71Å; P510-I654 HydrophobicContact CG-CB 4.4Å; P510-I654 HydrophobicContact CG-CG2 3.6Å; L650-I654 HydrophobicContact CD1-CD1 3.82Å; L650-I654 HydrophobicContact CD1-CG1 4.27Å; L650-I654 HydrophobicContact CG-CD1 3.84Å; L650-I654 VanDerWaalsContact O-CG1 3.32Å; L650-I654 WeakPolarHBondContact O-CG1 3.38Å; L650-I654 PolarHBondContact O-N 2.83Å; V652-I654 PolarHBondContact O-N 3.33Å; I654-R656 PolarHBondContact O-N 2.98Å; I654-R656 VanDerWaalsContact O-N 3.12Å; I654-A657 PolarHBondContact O-N 3.14Å; I654-L661 HydrophobicContact CB-CD2 4.09Å; I654-L661 HydrophobicContact CG1-CD2 4.22Å; I654-L661 HydrophobicContact CG2-CD2 3.7Å; I654-L708 HydrophobicContact CD1-CD1 3.46Å; I654-L708 VanDerWaalsContact CD1-CD1 3.46Å; I654-L708 HydrophobicContact CG1-CD1 4.18Å
655T96.1Very high93.5Very high0 Ų015.2 Ų15.20%08%0.077CC..THydrogen-bonded Turntrans-82.111.7-170.563.70000114.2P207 R501 M502 P510 N651 V652 T653P207-T655 HydrophobicContact CB-CG2 4.08Å; P207-T655 HydrophobicContact CG-CG2 3.85Å; P207-T655 WeakPolarHBondContact CG-OG1 3.47Å; R501-T655 VanDerWaalsContact CD-O 3.28Å; R501-T655 WeakPolarHBondContact CD-O 3.17Å; R501-T655 PolarHBondContact NH1-O 2.95Å; M502-T655 HydrophobicContact CE-CG2 4.3Å; M502-T655 HydrophobicContact SD-CG2 3.79Å; P510-T655 HydrophobicContact CB-CG2 4.12Å; P510-T655 HydrophobicContact CG-CG2 3.89Å; N651-T655 WeakPolarHBondContact O-CB 3.33Å; N651-T655 WeakPolarHBondContact O-CG2 3.32Å; N651-T655 PolarHBondContact O-N 3.13Å; N651-T655 PolarHBondContact O-OG1 3.44Å; V652-T655 PolarHBondContact O-N 2.78Å; V652-T655 PolarHBondContact O-OG1 3.35Å; T653-T655 VanDerWaalsContact C-N 3.29Å; T653-T655 PolarHBondContact O-N 2.95Å
656R95.3Very high94.3Very high3 Ų314.8 Ų14.81%0.0117%0.07CC..THydrogen-bonded Turntrans-81.8-25.1170.7-59-48.887.3174.213.7113I587 F619 R622 Q623 K624 V627 V652 T653 I654I587-R656 HydrophobicContact CD1-CB 3.82Å; I587-R656 HydrophobicContact CD1-CG 3.55Å; F619-R656 HydrophobicContact CD1-CB 4.21Å; F619-R656 HydrophobicContact CD1-CG 3.79Å; F619-R656 HydrophobicContact CE1-CB 4.26Å; F619-R656 HydrophobicContact CE1-CG 4.34Å; R622-R656 WeakPolarHBondContact O-CD 3.31Å; R622-R656 PolarHBondContact O-NH1 3.01Å; Q623-R656 CarbonylContact C-O 3.49Å; Q623-R656 VanDerWaalsContact CA-O 3.29Å; Q623-R656 WeakPolarHBondContact CA-O 3.32Å; K624-R656 PolarHBondContact N-O 2.71Å; V627-R656 HydrophobicContact CG2-CB 4.03Å; V652-R656 WeakPolarHBondContact O-CD 3.46Å; V652-R656 VanDerWaalsContact O-CG 3.3Å; V652-R656 WeakPolarHBondContact O-CG 3.49Å; V652-R656 PolarHBondContact O-N 2.86Å; V652-R656 PolarHBondContact O-NE 2.82Å; V652-R656 PolarHBondContact O-NH2 3.35Å; T653-R656 PolarHBondContact O-N 2.67Å; I654-R656 PolarHBondContact O-N 2.98Å; I654-R656 VanDerWaalsContact O-N 3.12Å
657A96.4Very high94.5Very high0 Ų014 Ų140%06%0.063CC..EExtended strand (participates in β ladder)trans-76.8150.5-17800000112.9M502 I506 K624 V627 I654 S660 L661M502-A657 WeakPolarHBondContact CG-O 3.33Å; I506-A657 HydrophobicContact CD1-CB 3.87Å; I506-A657 HydrophobicContact CG2-CB 4.37Å; K624-A657 CarbonylContact O-C 3.29Å; V627-A657 HydrophobicContact CB-CB 4.04Å; V627-A657 HydrophobicContact CG2-CB 3.88Å; I654-A657 PolarHBondContact O-N 3.14Å; A657-S660 WeakPolarHBondContact CB-O 3.06Å; A657-L661 HydrophobicContact CB-CB 3.96Å
658K95.8Very high94.4Very high38 Ų3819.6 Ų19.617%0.1658%0.081CC..EExtended strand (participates in β ladder)trans-108.3-49.9171.2-73.9178.8-97.2153.80112R501 M502 H503 R529 K624 D625R501-K658 HydrophobicContact CG-CG 3.85Å; M502-K658 CarbonylContact C-O 3.46Å; H503-K658 PolarHBondContact N-O 2.93Å; R529-K658 VanDerWaalsContact CD-O 3.25Å; R529-K658 WeakPolarHBondContact CD-O 3.41Å; R529-K658 PolarHBondContact NE-O 3.03Å; K624-K658 WeakPolarHBondContact O-CB 3.12Å; K624-K658 WeakPolarHBondContact O-CE 3.42Å; K624-K658 WeakPolarHBondContact O-CG 3.3Å; K624-K658 PolarHBondContact O-N 3.44Å; D625-K658 VanDerWaalsContact CG-NZ 3.32Å; D625-K658 WeakPolarHBondContact OD1-CD 3.24Å; D625-K658 WeakPolarHBondContact OD1-CE 3.31Å; D625-K658 IonicContact OD1-NZ 2.74Å; D625-K658 PolarHBondContact OD1-NZ 3.31Å; D625-K658 IonicContact OD2-NZ 2.8Å; D625-K658 PolarHBondContact OD2-NZ 3.39Å
659Y95.4Very high94.1Very high45 Ų4516.5 Ų16.518%0.1767%0.067CC..EExtended strand (participates in β ladder)trans-110-49.3-176.7-65.2-97.6000113I506 R529 W534 P538 D625I506-Y659 WeakPolarHBondContact CD1-O 3.34Å; R529-Y659 HydrophobicContact CB-CD1 4.38Å; R529-Y659 VanDerWaalsContact CD-CD1 3.47Å; R529-Y659 VanDerWaalsContact CD-CE1 3.48Å; R529-Y659 VanDerWaalsContact NH1-CZ 3.33Å; R529-Y659 PolarHBondContact NH1-OH 2.83Å; R529-Y659 VanDerWaalsContact NH1-OH 3.11Å; W534-Y659 HydrophobicContact CB-CD1 3.99Å; W534-Y659 HydrophobicContact CB-CE1 4.44Å; W534-Y659 HydrophobicContact CD2-CD1 4.15Å; W534-Y659 AromaticContact CD2-CG 3.97Å; W534-Y659 HydrophobicContact CD2-CG 3.97Å; W534-Y659 VanDerWaalsContact CE2-CB 3.49Å; W534-Y659 HydrophobicContact CE3-CG 4.43Å; W534-Y659 AromaticContact CG-CD1 3.85Å; W534-Y659 HydrophobicContact CG-CD1 3.85Å; W534-Y659 HydrophobicContact CG-CG 4.08Å; P538-Y659 VanDerWaalsContact CA-O 3.29Å; P538-Y659 WeakPolarHBondContact CA-O 3.48Å; D625-Y659 HydrophobicContact CB-CD2 3.79Å; D625-Y659 HydrophobicContact CB-CE2 4.26Å; D625-Y659 PolarHBondContact O-N 3.49Å; D625-Y659 WeakPolarHBondContact OD1-CD2 3.46Å; D625-Y659 WeakPolarHBondContact OD1-CE2 3.33Å
660S96.6Very high93.8Very high0 Ų014.3 Ų14.30%06%0.059CC..EExtended strand (participates in β ladder)trans-128.9137.4-176.8-700000112.9W534 Q537 P538 D625 C626 V627 A657W534-S660 PolarHBondContact NE1-OG 2.94Å; Q537-S660 WeakPolarHBondContact O-CB 3.38Å; Q537-S660 PolarHBondContact O-OG 3.39Å; P538-S660 CarbonylContact O-C 3.53Å; P538-S660 WeakPolarHBondContact O-CA 3.43Å; D625-S660 PolarHBondContact O-N 2.89Å; C626-S660 CarbonylContact C-O 3.59Å; C626-S660 WeakPolarHBondContact CA-O 3.45Å; V627-S660 PolarHBondContact N-O 3.47Å; A657-S660 WeakPolarHBondContact CB-O 3.06Å
661L98Very high93.1Very high0 Ų017.2 Ų17.20%07%0.073CC..EExtended strand (participates in β ladder)trans-127.5119.2171.6175.862.8000109.9I506 P538 Y539 L540 V627 V629 I654 A657 I663I506-L661 HydrophobicContact CD1-CB 4.09Å; I506-L661 HydrophobicContact CG1-CB 4.17Å; I506-L661 HydrophobicContact CG2-CB 4.48Å; I506-L661 HydrophobicContact CG2-CD2 4.16Å; P538-L661 PolarHBondContact O-N 2.9Å; Y539-L661 WeakPolarHBondContact CA-O 3.19Å; Y539-L661 HydrophobicContact CD2-CB 4.4Å; Y539-L661 HydrophobicContact CD2-CD2 4.11Å; Y539-L661 HydrophobicContact CD2-CG 4.34Å; Y539-L661 HydrophobicContact CE2-CD2 4.18Å; L540-L661 PolarHBondContact N-O 3.35Å; V627-L661 HydrophobicContact CB-CD1 4.05Å; V627-L661 HydrophobicContact CG1-CD1 3.98Å; V627-L661 WeakPolarHBondContact O-CA 3.23Å; V629-L661 HydrophobicContact CG2-CD1 3.75Å; I654-L661 HydrophobicContact CB-CD2 4.09Å; I654-L661 HydrophobicContact CG1-CD2 4.22Å; I654-L661 HydrophobicContact CG2-CD2 3.7Å; A657-L661 HydrophobicContact CB-CB 3.96Å; L661-I663 HydrophobicContact CD1-CG1 4.32Å; L661-I663 HydrophobicContact CD2-CD1 4.3Å; L661-I663 HydrophobicContact CG-CD1 4.47Å; L661-I663 HydrophobicContact CG-CG1 4.17Å
662F98.3Very high91.6Very high0 Ų019.5 Ų19.50%08%0.083CC..EExtended strand (participates in β ladder)trans-117.1119.7176-53-39.3000109.7F536 Q537 L540 F542 I568 I572 V627 I628 V629 I733F536-F662 HydrophobicContact CB-CZ 4.24Å; Q537-F662 WeakPolarHBondContact O-CE1 3.18Å; L540-F662 HydrophobicContact CB-CD1 3.92Å; L540-F662 HydrophobicContact CB-CE1 4.42Å; L540-F662 HydrophobicContact CD1-CD1 4.17Å; L540-F662 HydrophobicContact CD1-CE1 3.96Å; L540-F662 HydrophobicContact CG-CD1 4.32Å; L540-F662 HydrophobicContact CG-CE1 4.32Å; L540-F662 WeakPolarHBondContact O-CA 3.42Å; F542-F662 HydrophobicContact CE2-CB 4.39Å; I568-F662 HydrophobicContact CG2-CD2 4.06Å; I568-F662 HydrophobicContact CG2-CE2 4.45Å; I572-F662 HydrophobicContact CD1-CE2 4.42Å; V627-F662 PolarHBondContact O-N 2.83Å; I628-F662 CarbonylContact C-O 3.56Å; I628-F662 VanDerWaalsContact CA-O 3.31Å; I628-F662 WeakPolarHBondContact CA-O 3.08Å; I628-F662 HydrophobicContact CG1-CD2 4.42Å; V629-F662 PolarHBondContact N-O 2.85Å; F662-I733 HydrophobicContact CD1-CG2 4.46Å; F662-I733 HydrophobicContact CD2-CG2 4.23Å; F662-I733 HydrophobicContact CE1-CB 4.21Å; F662-I733 HydrophobicContact CE1-CG2 4.22Å; F662-I733 HydrophobicContact CE2-CB 4Å; F662-I733 HydrophobicContact CE2-CD1 4.21Å; F662-I733 HydrophobicContact CE2-CG2 3.97Å; F662-I733 HydrophobicContact CG-CG2 4.48Å; F662-I733 HydrophobicContact CZ-CB 3.71Å; F662-I733 HydrophobicContact CZ-CG2 3.98Å
663I97.9Very high89.6Confident4 Ų422.8 Ų22.82%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-106.6126.5-179-59.8175.7000108.5Y539 L540 V541 F542 V629 L661 W705 L708Y539-I663 HydrophobicContact CE2-CD1 4.04Å; L540-I663 PolarHBondContact O-N 3.08Å; V541-I663 CarbonylContact C-O 3.55Å; V541-I663 WeakPolarHBondContact CA-O 3.31Å; V541-I663 HydrophobicContact CG1-CB 4.47Å; V541-I663 HydrophobicContact CG2-CB 4.33Å; F542-I663 PolarHBondContact N-O 3.09Å; V629-I663 HydrophobicContact CB-CG1 4.23Å; V629-I663 HydrophobicContact CG2-CG1 4.26Å; L661-I663 HydrophobicContact CD1-CG1 4.32Å; L661-I663 HydrophobicContact CD2-CD1 4.3Å; L661-I663 HydrophobicContact CG-CD1 4.47Å; L661-I663 HydrophobicContact CG-CG1 4.17Å; I663-W705 HydrophobicContact CG2-CZ3 3.99Å; I663-L708 HydrophobicContact CD1-CD1 3.94Å; I663-L708 HydrophobicContact CD1-CD2 4Å
664L97.3Very high87Confident0 Ų026.8 Ų26.80%012%0.121CC..EExtended strand (participates in β ladder)trans-114.8129.9-179.8-39.7-178.6000109.3F542 V544 E561 L564 V565 I568 I628 V629 T630 C631F542-L664 HydrophobicContact CB-CD2 3.67Å; F542-L664 HydrophobicContact CD2-CD2 3.49Å; F542-L664 VanDerWaalsContact CD2-CD2 3.49Å; F542-L664 HydrophobicContact CE2-CD2 4.34Å; F542-L664 HydrophobicContact CG-CD2 3.74Å; V544-L664 HydrophobicContact CG2-CB 4.34Å; E561-L664 HydrophobicContact CG-CB 4.29Å; L564-L664 HydrophobicContact CB-CD1 4.29Å; L564-L664 HydrophobicContact CD2-CD1 4.24Å; L564-L664 HydrophobicContact CD2-CD2 3.91Å; L564-L664 HydrophobicContact CD2-CG 4.48Å; L564-L664 HydrophobicContact CG-CD1 4.09Å; L564-L664 HydrophobicContact CG-CD2 4.24Å; V565-L664 HydrophobicContact CB-CD1 4.48Å; V565-L664 HydrophobicContact CG2-CD1 3.5Å; I568-L664 HydrophobicContact CD1-CD1 4.48Å; I568-L664 HydrophobicContact CD1-CD2 3.86Å; I628-L664 HydrophobicContact CG2-CD1 3.83Å; I628-L664 HydrophobicContact CG2-CD2 4.49Å; I628-L664 HydrophobicContact CG2-CG 4.01Å; V629-L664 PolarHBondContact O-N 2.98Å; T630-L664 HydrophobicContact CG2-CD1 4.43Å; C631-L664 WeakPolarHBondContact CB-O 3.45Å; C631-L664 PolarHBondContact N-O 3.36Å; C631-L664 PolarHBondContact SG-O 3.4Å
665G93.6Very high84.4Confident1 Ų129.8 Ų29.81%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-179.5171.6175.600000113.8F542 D543 V544 L667F542-G665 PolarHBondContact O-N 3.04Å; F542-G665 VanDerWaalsContact O-N 3.14Å; F542-G665 VanDerWaalsContact O-O 3.08Å; D543-G665 WeakPolarHBondContact CA-O 2.96Å; V544-G665 PolarHBondContact N-O 3.34Å; G665-L667 PolarHBondContact O-N 2.61Å
666H91.9Very high81.4Confident18 Ų1840.6 Ų40.68%0.08318%0.182CC..  trans-86.2101.4175178.4-123.1000109.9A634 R668 T669 L670A634-H666 HydrophobicContact CB-CB 3.71Å; A634-H666 PolarHBondContact O-ND1 3Å; H666-R668 VanDerWaalsContact C-N 3.25Å; H666-R668 PolarHBondContact O-N 3.36Å; H666-T669 PolarHBondContact ND1-OG1 3.09Å; H666-T669 PolarHBondContact O-N 2.98Å; H666-T669 VanDerWaalsContact O-N 3.15Å; H666-L670 PolarHBondContact O-N 2.86Å
667L90.1Very high78.6Confident11 Ų1144 Ų446%0.05821%0.206CC..Hα-helixtrans-62.2-33.1-169.5-90.254000112.5V541 D543 G665 T669 L670 M671 I709 I718V541-L667 HydrophobicContact CG1-CD1 3.97Å; D543-L667 HydrophobicContact CB-CB 4.48Å; D543-L667 HydrophobicContact CB-CD1 3.76Å; D543-L667 HydrophobicContact CB-CD2 3.94Å; D543-L667 HydrophobicContact CB-CG 4.26Å; D543-L667 WeakPolarHBondContact OD1-CB 3.29Å; D543-L667 PolarHBondContact OD1-N 2.99Å; G665-L667 PolarHBondContact O-N 2.61Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 2.93Å; L667-L670 PolarHBondContact O-N 2.82Å; L667-L670 VanDerWaalsContact O-N 3.17Å; L667-M671 HydrophobicContact CB-SD 4.35Å; L667-M671 VanDerWaalsContact O-CB 3.29Å; L667-M671 WeakPolarHBondContact O-CB 3.35Å; L667-M671 VanDerWaalsContact O-CG 3.22Å; L667-M671 WeakPolarHBondContact O-CG 3.38Å; L667-M671 PolarHBondContact O-N 3.11Å; L667-I709 HydrophobicContact CD2-CG2 3.63Å; L667-I709 HydrophobicContact CG-CD1 4.06Å; L667-I709 HydrophobicContact CG-CG1 4.28Å; L667-I709 HydrophobicContact CG-CG2 3.9Å; L667-I718 HydrophobicContact CD2-CD1 3.91Å; L667-I718 HydrophobicContact CD2-CG1 4.45Å; L667-I718 HydrophobicContact CD2-CG2 3.86Å
668R86.2Confident75.9Confident168 Ų16849.8 Ų49.863%0.63423%0.232SC*.Hα-helixtrans-57-43.2178.5-178.4-179.7-66.71760.9111.6H666 Q672H666-R668 VanDerWaalsContact C-N 3.25Å; H666-R668 PolarHBondContact O-N 3.36Å; R668-Q672 VanDerWaalsContact O-CB 3.22Å; R668-Q672 WeakPolarHBondContact O-CB 3.42Å; R668-Q672 VanDerWaalsContact O-CG 3.23Å; R668-Q672 WeakPolarHBondContact O-CG 3.48Å; R668-Q672 PolarHBondContact O-N 3.38Å; R668-Q672 PolarHBondContact O-OE1 2.74Å
669T85.7Confident73.1Confident1 Ų152.2 Ų52.21%0.00625%0.252CS..Hα-helixtrans-68.6-44.9175.4-660000111.4R633 A634 N635 I641 H666 L667 M671 Q672R633-T669 HydrophobicContact CB-CG2 4.16Å; A634-T669 WeakPolarHBondContact CA-OG1 3.21Å; A634-T669 PolarHBondContact O-OG1 3.32Å; N635-T669 VanDerWaalsContact C-OG1 3.24Å; N635-T669 PolarHBondContact N-OG1 3.47Å; N635-T669 VanDerWaalsContact O-CG2 3.27Å; N635-T669 WeakPolarHBondContact O-CG2 3.19Å; N635-T669 PolarHBondContact O-OG1 3.02Å; I641-T669 HydrophobicContact CG2-CG2 4.15Å; H666-T669 PolarHBondContact ND1-OG1 3.09Å; H666-T669 PolarHBondContact O-N 2.98Å; H666-T669 VanDerWaalsContact O-N 3.15Å; L667-T669 VanDerWaalsContact C-N 3.29Å; L667-T669 PolarHBondContact O-N 2.93Å; T669-M671 VanDerWaalsContact C-N 3.3Å; T669-M671 PolarHBondContact O-N 3.31Å; T669-Q672 PolarHBondContact O-N 3.33Å
670L83.6Confident70.4Confident3 Ų354.2 Ų54.22%0.01627%0.269CS..Hα-helixtrans-70-22.1-178.1-61.6174.2000114.2C631 I641 L644 H666 L667 W705 I709C631-L670 HydrophobicContact CB-CD1 3.93Å; C631-L670 HydrophobicContact CB-CD2 4.2Å; I641-L670 HydrophobicContact CG2-CD2 4.21Å; L644-L670 HydrophobicContact CD1-CD2 4.22Å; H666-L670 PolarHBondContact O-N 2.86Å; L667-L670 PolarHBondContact O-N 2.82Å; L667-L670 VanDerWaalsContact O-N 3.17Å; L670-W705 HydrophobicContact CB-CB 4.39Å; L670-W705 HydrophobicContact CD1-CE3 4.29Å; L670-W705 HydrophobicContact CD2-CD2 4.42Å; L670-W705 WeakPolarHBondContact O-CB 3.37Å; L670-I709 HydrophobicContact CB-CD1 3.56Å; L670-I709 HydrophobicContact CD1-CD1 4.39Å
671M78.4Confident67.6Low61 Ų6160.4 Ų60.430%0.330%0.298SS..Hα-helixtrans-96.1-13.4177.3-66.8-179.478.300113.9L667 T669 L673 I709L667-M671 HydrophobicContact CB-SD 4.35Å; L667-M671 VanDerWaalsContact O-CB 3.29Å; L667-M671 WeakPolarHBondContact O-CB 3.35Å; L667-M671 VanDerWaalsContact O-CG 3.22Å; L667-M671 WeakPolarHBondContact O-CG 3.38Å; L667-M671 PolarHBondContact O-N 3.11Å; T669-M671 VanDerWaalsContact C-N 3.3Å; T669-M671 PolarHBondContact O-N 3.31Å; M671-L673 PolarHBondContact O-N 2.72Å; M671-I709 HydrophobicContact CE-CG2 4.17Å; M671-I709 HydrophobicContact CG-CB 4.13Å; M671-I709 HydrophobicContact CG-CD1 3.68Å; M671-I709 HydrophobicContact CG-CG2 3.83Å; M671-I709 HydrophobicContact SD-CB 4.44Å; M671-I709 HydrophobicContact SD-CG2 3.55Å; M671-I709 VanDerWaalsContact SD-CG2 3.55Å
672Q64.4Low64.9Low50 Ų5063.3 Ų63.323%0.23432%0.315CS..  trans-69.292.8-164.4-114174.7-54.100112.5S636 R668 T669 N702S636-Q672 PolarHBondContact O-NE2 2.78Å; S636-Q672 PolarHBondContact O-OE1 3.08Å; R668-Q672 VanDerWaalsContact O-CB 3.22Å; R668-Q672 WeakPolarHBondContact O-CB 3.42Å; R668-Q672 VanDerWaalsContact O-CG 3.23Å; R668-Q672 WeakPolarHBondContact O-CG 3.48Å; R668-Q672 PolarHBondContact O-N 3.38Å; R668-Q672 PolarHBondContact O-OE1 2.74Å; T669-Q672 PolarHBondContact O-N 3.33Å; Q672-N702 PolarHBondContact O-ND2 3.42Å
673L50.9Low62Low69 Ų6969.5 Ų69.536%0.36135%0.348SS..PPolyproline II helixtrans-71.1152.8143.1-62.2171000108M671 L699M671-L673 PolarHBondContact O-N 2.72Å; L673-L699 HydrophobicContact CD2-CD2 4.14Å; L673-L699 VanDerWaalsContact CD2-O 3.23Å; L673-L699 WeakPolarHBondContact CD2-O 3.45Å
674L41Very low59.2Low86 Ų8676.9 Ų76.945%0.4538%0.382SS..PPolyproline II helixtrans-51.4139.7-178.8-74.4164.7000111.8A698L674-A698 HydrophobicContact CD1-CB 4.02Å
675P39.6Very low56.3Low68 Ų6879.6 Ų79.644%0.44240%0.402SS..PPolyproline II helixtrans-62.9140-174.326.1-34.6000111.5S677 F678P675-S677 PolarHBondContact O-N 3.18Å; P675-F678 WeakPolarHBondContact O-CB 3.24Å; P675-F678 PolarHBondContact O-N 3.24Å
676R33.9Very low53.8Low227 Ų22785.8 Ų85.886%0.85744%0.441SS*.Hα-helixtrans-51.4-30.8-176.3-80.8-177.9169.7173.3-4.7114.1F678 C679 V680R676-F678 PolarHBondContact O-N 3.43Å; R676-C679 WeakPolarHBondContact O-CB 3.4Å; R676-C679 PolarHBondContact O-N 2.67Å; R676-V680 PolarHBondContact O-N 2.9Å; R676-V680 VanDerWaalsContact O-N 3.13Å
677S36.6Very low51.2Low74 Ų7494.3 Ų94.352%0.51748%0.479SS..Hα-helixtrans-58.1-28.617633.50000114P675 V680 H681P675-S677 PolarHBondContact O-N 3.18Å; S677-V680 PolarHBondContact O-N 2.87Å; S677-H681 PolarHBondContact O-N 3.35Å; S677-H681 PolarHBondContact O-ND1 3.49Å
678F39.7Very low48.6Very low122 Ų122102 Ų10254%0.53551%0.512SS..Hα-helixtrans-70.5-37.4174-144.3-88.7000111.6P675 R676 V680 H681 V682P675-F678 WeakPolarHBondContact O-CB 3.24Å; P675-F678 PolarHBondContact O-N 3.24Å; R676-F678 PolarHBondContact O-N 3.43Å; F678-V680 VanDerWaalsContact C-N 3.33Å; F678-H681 PolarHBondContact O-N 2.96Å; F678-V682 WeakPolarHBondContact O-CG2 3.47Å; F678-V682 PolarHBondContact O-N 2.79Å
679C36Very low46.2Very low88 Ų8899.7 Ų99.760%0.59552%0.521SS*.Hα-helixtrans-71.4-28176.4-164.20000112.4R676R676-C679 WeakPolarHBondContact O-CB 3.4Å; R676-C679 PolarHBondContact O-N 2.67Å
680V38.7Very low44Very low88 Ų88102.3 Ų102.353%0.53354%0.539SS..Hα-helixtrans-74.5-38.8174177.10000112R676 S677 F678 N683R676-V680 PolarHBondContact O-N 2.9Å; R676-V680 VanDerWaalsContact O-N 3.13Å; S677-V680 PolarHBondContact O-N 2.87Å; F678-V680 VanDerWaalsContact C-N 3.33Å; V680-N683 PolarHBondContact O-N 2.88Å
681H37.1Very low41.8Very low130 Ų130107.1 Ų107.160%0.60256%0.561SS**Hα-helixtrans-66.2-37.5179.9-89.971.5000113.5S677 F678 N683 H684 S685S677-H681 PolarHBondContact O-N 3.35Å; S677-H681 PolarHBondContact O-ND1 3.49Å; F678-H681 PolarHBondContact O-N 2.96Å; H681-N683 PolarHBondContact O-N 2.89Å; H681-H684 PolarHBondContact O-N 3.25Å; H681-H684 VanDerWaalsContact O-N 3.14Å; H681-S685 PolarHBondContact O-N 2.85Å
682V42.8Very low40Very low61 Ų61109.4 Ų109.437%0.3758%0.58SS.*Hα-helixtrans-62.7-29.6177.5174.70000112F678 H684F678-V682 WeakPolarHBondContact O-CG2 3.47Å; F678-V682 PolarHBondContact O-N 2.79Å; V682-H684 VanDerWaalsContact C-N 3.33Å; V682-H684 PolarHBondContact O-N 3.44Å
683N36.9Very low38.7Very low129 Ų129114 Ų11469%0.6960%0.6SS**THydrogen-bonded Turntrans-81.4-5177.8-75.10.5000114.6V680 H681V680-N683 PolarHBondContact O-N 2.88Å; H681-N683 PolarHBondContact O-N 2.89Å
684H37.9Very low38Very low159 Ų159117.7 Ų117.774%0.73661%0.61SS**THydrogen-bonded Turntrans-129.18.2-174.1-83.3-66.4000115.1H681 V682H681-H684 PolarHBondContact O-N 3.25Å; H681-H684 VanDerWaalsContact O-N 3.14Å; V682-H684 VanDerWaalsContact C-N 3.33Å; V682-H684 PolarHBondContact O-N 3.44Å
685S37.1Very low37.8Very low58 Ų58117 Ų11741%0.40661%0.606SS.*  trans-121.5108.1178.6-69.60000111.6H681 F687H681-S685 PolarHBondContact O-N 2.85Å; S685-F687 PolarHBondContact O-N 2.96Å
686P40.8Very low37.6Very low130 Ų130120 Ų12084%0.84461%0.614SS**THydrogen-bonded Turntrans-65.4-4.2-177.3-23.634.3000116.4
687F38Very low37.8Very low198 Ų198115.9 Ų115.987%0.86860%0.598SS**THydrogen-bonded Turntrans-119.65.6-165.7-96.6-85.7000115.6S685S685-F687 PolarHBondContact O-N 2.96Å
688F36.1Very low37.7Very low171 Ų171113.4 Ų113.475%0.7558%0.583SS**  trans-129.6100.9175.5-98.3-90.4000112.1P690F688-P690 VanDerWaalsContact O-CD 3.26Å; F688-P690 WeakPolarHBondContact O-CD 3.33Å
689S34.3Very low37.8Very low120 Ų120111.3 Ų111.384%0.83958%0.577SS**  trans-10692.5168.8-173.70000109.9
690P39.4Very low38.5Very low57 Ų57112.2 Ų112.237%0.3757%0.571SS.*  trans-72.8134.6168.730.3-32.7000109.7F688F688-P690 VanDerWaalsContact O-CD 3.26Å; F688-P690 WeakPolarHBondContact O-CD 3.33Å
691E37.3Very low39.4Very low104 Ų104110.7 Ų110.749%0.48656%0.557SS.*  trans-53.1132.1177.4-81.4-160.6122.400111.2K693 Y694E691-K693 PolarHBondContact O-N 2.78Å; E691-K693 IonicContact OE1-NZ 3.5Å; E691-Y694 HydrophobicContact CB-CD2 4Å; E691-Y694 HydrophobicContact CB-CE2 4.45Å; E691-Y694 PolarHBondContact O-N 3.39Å; E691-Y694 WeakPolarHBondContact OE2-CE2 3.32Å
692P41.9Very low41.1Very low108 Ų108104.7 Ų104.770%0.70153%0.53SS*.Hα-helixtrans-62.6-17.5-173.322.8-33.5000114.1Y694 H696P692-Y694 VanDerWaalsContact C-N 3.28Å; P692-Y694 PolarHBondContact O-N 2.81Å; P692-H696 PolarHBondContact O-N 3.41Å
693K36.7Very low43Very low147 Ų147106 Ų10664%0.63953%0.532SS*.Hα-helixtrans-58.7-37171.2-65.1171.1-173.5157.20112.2E691 H696E691-K693 PolarHBondContact O-N 2.78Å; E691-K693 IonicContact OE1-NZ 3.5Å; K693-H696 PolarHBondContact O-N 3.31Å
694Y36.4Very low45.4Very low147 Ų147101.7 Ų101.758%0.57651%0.508SS*.Hα-helixtrans-80.3-25.4-174.7-71.7-91000113.9E691 P692 W697E691-Y694 HydrophobicContact CB-CD2 4Å; E691-Y694 HydrophobicContact CB-CE2 4.45Å; E691-Y694 PolarHBondContact O-N 3.39Å; E691-Y694 WeakPolarHBondContact OE2-CE2 3.32Å; P692-Y694 VanDerWaalsContact C-N 3.28Å; P692-Y694 PolarHBondContact O-N 2.81Å; Y694-W697 AromaticContact CD1-NE1 3.56Å; Y694-W697 VanDerWaalsContact O-CD1 3.27Å; Y694-W697 PolarHBondContact O-NE1 3.02Å
695L35.4Very low47.8Very low71 Ų7194.2 Ų94.237%0.37247%0.473SS..Hα-helixtrans-72.6-31.6169.6-112.168.3000112L699L695-L699 WeakPolarHBondContact O-CD1 3.43Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.46Å; L695-L699 PolarHBondContact O-N 2.93Å
696H36.8Very low50.3Low132 Ų13292.4 Ų92.461%0.61146%0.459SS*.Hα-helixtrans-75.4-27.4-170.4-165.376.6000114.7P692 K693P692-H696 PolarHBondContact O-N 3.41Å; K693-H696 PolarHBondContact O-N 3.31Å
697W37Very low52.7Low139 Ų13989.6 Ų89.653%0.52743%0.434SS..Hα-helixtrans-77.6-44.517568.2-97.8000112Y694 L699 K700Y694-W697 AromaticContact CD1-NE1 3.56Å; Y694-W697 VanDerWaalsContact O-CD1 3.27Å; Y694-W697 PolarHBondContact O-NE1 3.02Å; W697-L699 PolarHBondContact O-N 3.28Å; W697-K700 PolarHBondContact O-N 3.43Å
698A35.9Very low55.4Low23 Ų2380.1 Ų80.119%0.1939%0.393CS..Hα-helixtrans-63-25.4-179.300000112.9L674 K700L674-A698 HydrophobicContact CD1-CB 4.02Å; A698-K700 VanDerWaalsContact C-N 3.33Å
699L41Very low58.1Low77 Ų7772.1 Ų72.140%0.40336%0.358SS..THydrogen-bonded Turntrans-78.7-8.3173.8-71.1170.9000114.4L673 L695 W697L673-L699 HydrophobicContact CD2-CD2 4.14Å; L673-L699 VanDerWaalsContact CD2-O 3.23Å; L673-L699 WeakPolarHBondContact CD2-O 3.45Å; L695-L699 WeakPolarHBondContact O-CD1 3.43Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.46Å; L695-L699 PolarHBondContact O-N 2.93Å; W697-L699 PolarHBondContact O-N 3.28Å
700K50.8Low60.9Low108 Ų10869.2 Ų69.247%0.4733%0.331SS..THydrogen-bonded Turntrans-103.4-37.4-174.1-83.8177.7164.2173.20115.2W697 A698 N702 Q703W697-K700 PolarHBondContact O-N 3.43Å; A698-K700 VanDerWaalsContact C-N 3.33Å; K700-N702 VanDerWaalsContact C-N 3.27Å; K700-N702 PolarHBondContact O-N 3.38Å; K700-N702 VanDerWaalsContact O-N 3.12Å; K700-Q703 WeakPolarHBondContact O-CB 3.37Å; K700-Q703 PolarHBondContact O-N 3.33Å; K700-Q703 VanDerWaalsContact O-N 3.1Å
701E58.4Low63.4Low55 Ų5567.7 Ų67.726%0.25732%0.32SS..THydrogen-bonded Turntrans-54.1-40.3-170.5-64.8-166.8-179.300114.2S640 A645S640-E701 VanDerWaalsContact CA-OE2 3.32Å; S640-E701 WeakPolarHBondContact CA-OE2 3.4Å; S640-E701 WeakPolarHBondContact CB-OE2 3.44Å; S640-E701 PolarHBondContact OG-OE2 3.1Å; A645-E701 HydrophobicContact CB-CB 4.24Å; A645-E701 VanDerWaalsContact CB-O 3.3Å; A645-E701 WeakPolarHBondContact CB-O 3.21Å
702N71.4Confident66.1Low4 Ų462.8 Ų62.82%0.02130%0.297CS..THydrogen-bonded Turntrans-93.42.2-173.6-63.7-17.8000113.6G639 I641 Q672 K700 H704 W705 N706G639-N702 PolarHBondContact O-ND2 3.01Å; I641-N702 WeakPolarHBondContact CD1-OD1 2.95Å; I641-N702 WeakPolarHBondContact CG1-OD1 3.12Å; I641-N702 VanDerWaalsContact CG2-OD1 3.28Å; I641-N702 WeakPolarHBondContact CG2-OD1 3.39Å; Q672-N702 PolarHBondContact O-ND2 3.42Å; K700-N702 VanDerWaalsContact C-N 3.27Å; K700-N702 PolarHBondContact O-N 3.38Å; K700-N702 VanDerWaalsContact O-N 3.12Å; N702-H704 PolarHBondContact O-N 2.86Å; N702-W705 PolarHBondContact O-N 3.02Å; N702-N706 VanDerWaalsContact O-CB 3.32Å; N702-N706 WeakPolarHBondContact O-CB 3.45Å; N702-N706 PolarHBondContact O-N 2.82Å
703Q82.9Confident68.6Low90 Ų9063.6 Ų63.642%0.42129%0.291SS..Hα-helixtrans-58.6-45.4-170.7-173.2-178.22.200112.9K700 Q707K700-Q703 WeakPolarHBondContact O-CB 3.37Å; K700-Q703 PolarHBondContact O-N 3.33Å; K700-Q703 VanDerWaalsContact O-N 3.1Å; Q703-Q707 WeakPolarHBondContact O-CG 3.25Å; Q703-Q707 PolarHBondContact O-N 3.17Å; Q703-Q707 VanDerWaalsContact O-N 3.1Å
704H88.4Confident71.3Confident38 Ų3864.3 Ų64.318%0.17629%0.294CS..Hα-helixtrans-70.6-37.9-174.2-52.1-54.7000112.8Y513 A645 L647 L650 N702 L708Y513-H704 HydrophobicContact CE1-CB 4.08Å; Y513-H704 AromaticContact CE1-ND1 3.64Å; Y513-H704 AromaticContact CZ-ND1 3.66Å; Y513-H704 PolarHBondContact OH-ND1 3.1Å; A645-H704 PolarHBondContact O-CD2 3.33Å; L647-H704 HydrophobicContact CD1-CB 4.17Å; L650-H704 HydrophobicContact CD2-CB 3.78Å; N702-H704 PolarHBondContact O-N 2.86Å; H704-L708 PolarHBondContact O-N 3.19Å; H704-L708 VanDerWaalsContact O-N 3.16Å
705W88.8Confident74.1Confident2 Ų260.5 Ų60.51%0.00828%0.279CS..Hα-helixtrans-72-39.9175.7-76.793.8000112.1C631 I641 L644 L650 I663 L670 N702 Q707 L708 I709C631-W705 WeakPolarHBondContact SG-CH2 3.45Å; C631-W705 VanDerWaalsContact SG-CZ3 3.51Å; I641-W705 VanDerWaalsContact CD1-CD1 3.45Å; I641-W705 HydrophobicContact CD1-CG 4.23Å; L644-W705 HydrophobicContact CD2-CH2 4.32Å; L644-W705 HydrophobicContact CD2-CZ2 3.52Å; L644-W705 PolarHBondContact O-NE1 3.33Å; L650-W705 HydrophobicContact CD1-CD2 4.14Å; L650-W705 HydrophobicContact CD1-CE3 4.27Å; L650-W705 HydrophobicContact CD1-CH2 3.75Å; L650-W705 HydrophobicContact CD1-CZ2 3.59Å; L650-W705 HydrophobicContact CD1-CZ3 4.09Å; I663-W705 HydrophobicContact CG2-CZ3 3.99Å; L670-W705 HydrophobicContact CB-CB 4.39Å; L670-W705 HydrophobicContact CD1-CE3 4.29Å; L670-W705 HydrophobicContact CD2-CD2 4.42Å; L670-W705 WeakPolarHBondContact O-CB 3.37Å; N702-W705 PolarHBondContact O-N 3.02Å; W705-Q707 VanDerWaalsContact C-N 3.3Å; W705-Q707 PolarHBondContact O-N 3.15Å; W705-L708 HydrophobicContact CE3-CD2 4.5Å; W705-L708 PolarHBondContact O-N 3.24Å; W705-L708 VanDerWaalsContact O-N 3.17Å; W705-I709 WeakPolarHBondContact O-CD1 3.44Å; W705-I709 VanDerWaalsContact O-CG1 3.28Å; W705-I709 WeakPolarHBondContact O-CG1 3.2Å; W705-I709 PolarHBondContact O-N 3.36Å
706N89.1Confident76.9Confident19 Ų1960.3 Ų60.310%0.10229%0.294CS..Hα-helixtrans-57.4-42.7172.9-170.7-2.6000111.4N702 I709 Q710N702-N706 VanDerWaalsContact O-CB 3.32Å; N702-N706 WeakPolarHBondContact O-CB 3.45Å; N702-N706 PolarHBondContact O-N 2.82Å; N706-I709 PolarHBondContact O-N 3.12Å; N706-Q710 WeakPolarHBondContact O-CB 3.35Å; N706-Q710 VanDerWaalsContact O-CG 3.29Å; N706-Q710 WeakPolarHBondContact O-CG 3.34Å; N706-Q710 PolarHBondContact O-N 2.95Å; N706-Q710 PolarHBondContact OD1-NE2 3.44Å
707Q91.7Very high79.7Confident71 Ų7154.5 Ų54.533%0.33227%0.269SS..Hα-helixtrans-64.3-40.9174.7-70.2-64.9-33.200113.2F509 Y513 Q703 W705 Q710 D711F509-Q707 HydrophobicContact CE2-CB 4.28Å; Y513-Q707 HydrophobicContact CD2-CB 4.36Å; Y513-Q707 HydrophobicContact CD2-CG 4.49Å; Y513-Q707 HydrophobicContact CE1-CB 4.34Å; Y513-Q707 HydrophobicContact CE2-CB 3.97Å; Y513-Q707 HydrophobicContact CE2-CG 3.75Å; Q703-Q707 WeakPolarHBondContact O-CG 3.25Å; Q703-Q707 PolarHBondContact O-N 3.17Å; Q703-Q707 VanDerWaalsContact O-N 3.1Å; W705-Q707 VanDerWaalsContact C-N 3.3Å; W705-Q707 PolarHBondContact O-N 3.15Å; Q707-Q710 PolarHBondContact O-N 2.9Å; Q707-D711 PolarHBondContact O-N 2.76Å
708L93.5Very high82.5Confident0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-62.9-42.7174.9178.7142.4000112.3F509 Y539 V541 L650 I654 I663 H704 W705 Q710 D711 A712F509-L708 HydrophobicContact CD1-CD1 4.15Å; F509-L708 HydrophobicContact CD2-CB 4.42Å; F509-L708 HydrophobicContact CE1-CB 4.16Å; F509-L708 HydrophobicContact CE1-CD1 4.03Å; F509-L708 VanDerWaalsContact CE2-CA 3.43Å; F509-L708 HydrophobicContact CE2-CB 3.87Å; F509-L708 HydrophobicContact CZ-CB 3.7Å; F509-L708 HydrophobicContact CZ-CD1 4.43Å; F509-L708 HydrophobicContact CZ-CG 4.49Å; Y539-L708 WeakPolarHBondContact OH-CD2 3.14Å; Y539-L708 WeakPolarHBondContact OH-CG 3.35Å; V541-L708 HydrophobicContact CG2-CD2 4.25Å; L650-L708 HydrophobicContact CD1-CD1 4.12Å; I654-L708 HydrophobicContact CD1-CD1 3.46Å; I654-L708 VanDerWaalsContact CD1-CD1 3.46Å; I654-L708 HydrophobicContact CG1-CD1 4.18Å; I663-L708 HydrophobicContact CD1-CD1 3.94Å; I663-L708 HydrophobicContact CD1-CD2 4Å; H704-L708 PolarHBondContact O-N 3.19Å; H704-L708 VanDerWaalsContact O-N 3.16Å; W705-L708 HydrophobicContact CE3-CD2 4.5Å; W705-L708 PolarHBondContact O-N 3.24Å; W705-L708 VanDerWaalsContact O-N 3.17Å; L708-Q710 VanDerWaalsContact C-N 3.34Å; L708-D711 PolarHBondContact O-N 3.41Å; L708-A712 PolarHBondContact O-N 3.37Å
709I93.1Very high85.4Confident2 Ų249.7 Ų49.71%0.0125%0.249CC..Hα-helixtrans-70.8-34.9-178.6-64.8160.8000110.1L667 L670 M671 W705 N706 A712 Q713 I718L667-I709 HydrophobicContact CD2-CG2 3.63Å; L667-I709 HydrophobicContact CG-CD1 4.06Å; L667-I709 HydrophobicContact CG-CG1 4.28Å; L667-I709 HydrophobicContact CG-CG2 3.9Å; L670-I709 HydrophobicContact CB-CD1 3.56Å; L670-I709 HydrophobicContact CD1-CD1 4.39Å; M671-I709 HydrophobicContact CE-CG2 4.17Å; M671-I709 HydrophobicContact CG-CB 4.13Å; M671-I709 HydrophobicContact CG-CD1 3.68Å; M671-I709 HydrophobicContact CG-CG2 3.83Å; M671-I709 HydrophobicContact SD-CB 4.44Å; M671-I709 HydrophobicContact SD-CG2 3.55Å; M671-I709 VanDerWaalsContact SD-CG2 3.55Å; W705-I709 WeakPolarHBondContact O-CD1 3.44Å; W705-I709 VanDerWaalsContact O-CG1 3.28Å; W705-I709 WeakPolarHBondContact O-CG1 3.2Å; W705-I709 PolarHBondContact O-N 3.36Å; N706-I709 PolarHBondContact O-N 3.12Å; I709-A712 PolarHBondContact O-N 3.37Å; I709-Q713 WeakPolarHBondContact O-CB 3.29Å; I709-Q713 PolarHBondContact O-N 2.76Å; I709-I718 HydrophobicContact CG2-CD1 4.05Å
710Q92.3Very high88Confident59 Ų5953.6 Ų53.628%0.27626%0.263SS..Hα-helixtrans-65.3-37.1170.4-73.5179.139.800113.2N706 Q707 L708 K714N706-Q710 WeakPolarHBondContact O-CB 3.35Å; N706-Q710 VanDerWaalsContact O-CG 3.29Å; N706-Q710 WeakPolarHBondContact O-CG 3.34Å; N706-Q710 PolarHBondContact O-N 2.95Å; N706-Q710 PolarHBondContact OD1-NE2 3.44Å; Q707-Q710 PolarHBondContact O-N 2.9Å; L708-Q710 VanDerWaalsContact C-N 3.34Å; Q710-K714 WeakPolarHBondContact O-CB 3.45Å; Q710-K714 WeakPolarHBondContact O-CD 3.34Å; Q710-K714 WeakPolarHBondContact O-CG 3.4Å; Q710-K714 PolarHBondContact O-N 2.95Å
711D92.9Very high90.1Very high26 Ų2648.9 Ų48.914%0.13924%0.244CC..Hα-helixtrans-62.9-49.1171.8-177.281.7000110.9F509 Q707 L708 Q713 K714 R715F509-D711 HydrophobicContact CD2-CB 4.01Å; Q707-D711 PolarHBondContact O-N 2.76Å; L708-D711 PolarHBondContact O-N 3.41Å; D711-Q713 VanDerWaalsContact C-N 3.31Å; D711-Q713 PolarHBondContact O-N 3.19Å; D711-K714 PolarHBondContact O-N 3.48Å; D711-R715 WeakPolarHBondContact O-CB 3.44Å; D711-R715 WeakPolarHBondContact O-CD 3.22Å; D711-R715 VanDerWaalsContact O-CG 3.31Å; D711-R715 WeakPolarHBondContact O-CG 3.28Å; D711-R715 PolarHBondContact O-N 2.82Å; D711-R715 VanDerWaalsContact O-N 3.08Å; D711-R715 WeakPolarHBondContact OD2-CD 3.32Å; D711-R715 IonicContact OD2-CZ 3.01Å; D711-R715 IonicContact OD2-NE 2.81Å; D711-R715 IonicContact OD2-NH1 2.76Å; D711-R715 PolarHBondContact OD2-NH1 2.85Å
712A93.8Very high91.7Very high0 Ų048.3 Ų48.30%025%0.245CC..Hα-helixtrans-58.9-40.9176.500000112.4Y539 V541 L708 I709 R715 G716 A717 I718Y539-A712 HydrophobicContact CE1-CB 3.94Å; V541-A712 HydrophobicContact CB-CB 4.24Å; V541-A712 HydrophobicContact CG2-CB 3.58Å; L708-A712 PolarHBondContact O-N 3.37Å; I709-A712 PolarHBondContact O-N 3.37Å; A712-R715 PolarHBondContact O-N 2.78Å; A712-G716 PolarHBondContact O-N 2.83Å; A712-A717 HydrophobicContact CB-CB 4.37Å; A712-A717 PolarHBondContact O-N 2.92Å; A712-I718 HydrophobicContact CB-CD1 4.29Å; A712-I718 HydrophobicContact CB-CG1 3.82Å
713Q94.1Very high92.6Very high125 Ų12551.7 Ų51.758%0.58426%0.263SS*.Hα-helixtrans-65.4-46.7177.5-169.8174.8-11.800111.8I709 D711 R715 G716 I718I709-Q713 WeakPolarHBondContact O-CB 3.29Å; I709-Q713 PolarHBondContact O-N 2.76Å; D711-Q713 VanDerWaalsContact C-N 3.31Å; D711-Q713 PolarHBondContact O-N 3.19Å; Q713-R715 PolarHBondContact O-N 3.13Å; Q713-G716 PolarHBondContact O-N 2.85Å; Q713-G716 VanDerWaalsContact O-N 3.12Å; Q713-I718 HydrophobicContact CB-CD1 3.63Å; Q713-I718 HydrophobicContact CG-CD1 4.24Å
714K94.1Very high92.9Very high163 Ų16356.8 Ų56.871%0.70928%0.284SS*.Hα-helixtrans-60.7-27.8177.2-72.9164-171.8167.60112.6Q710 D711Q710-K714 WeakPolarHBondContact O-CB 3.45Å; Q710-K714 WeakPolarHBondContact O-CD 3.34Å; Q710-K714 WeakPolarHBondContact O-CG 3.4Å; Q710-K714 PolarHBondContact O-N 2.95Å; D711-K714 PolarHBondContact O-N 3.48Å
715R94Very high93.2Very high67 Ų6758.5 Ų58.525%0.25329%0.294SS..THydrogen-bonded Turntrans-94.11179.5-66.516663-167.8-1.1114.1D505 D711 A712 Q713 A717D505-R715 VanDerWaalsContact CA-NH2 3.32Å; D505-R715 PolarHBondContact O-NH1 3.05Å; D505-R715 VanDerWaalsContact O-NH1 3.1Å; D505-R715 PolarHBondContact O-NH2 3.4Å; D505-R715 IonicContact OD2-CZ 2.81Å; D505-R715 IonicContact OD2-NH2 2.81Å; D505-R715 PolarHBondContact OD2-NH2 2.84Å; D711-R715 WeakPolarHBondContact O-CB 3.44Å; D711-R715 WeakPolarHBondContact O-CD 3.22Å; D711-R715 VanDerWaalsContact O-CG 3.31Å; D711-R715 WeakPolarHBondContact O-CG 3.28Å; D711-R715 PolarHBondContact O-N 2.82Å; D711-R715 VanDerWaalsContact O-N 3.08Å; D711-R715 WeakPolarHBondContact OD2-CD 3.32Å; D711-R715 IonicContact OD2-CZ 3.01Å; D711-R715 IonicContact OD2-NE 2.81Å; D711-R715 IonicContact OD2-NH1 2.76Å; D711-R715 PolarHBondContact OD2-NH1 2.85Å; A712-R715 PolarHBondContact O-N 2.78Å; Q713-R715 PolarHBondContact O-N 3.13Å; R715-A717 HydrophobicContact CB-CB 4.47Å; R715-A717 PolarHBondContact O-N 3.18Å
716G94Very high93.4Very high67 Ų6758.7 Ų58.769%0.69130%0.295SS*.THydrogen-bonded Turntrans66.616.1-176.200000114.5A712 Q713 I718A712-G716 PolarHBondContact O-N 2.83Å; Q713-G716 PolarHBondContact O-N 2.85Å; Q713-G716 VanDerWaalsContact O-N 3.12Å; G716-I718 VanDerWaalsContact C-N 3.29Å; G716-I718 PolarHBondContact O-N 3.12Å
717A95.6Very high93.6Very high9 Ų967.2 Ų67.27%0.07433%0.326CS..  trans-85.58.6-172.700000114.2Y539 L540 V541 A712 R715Y539-A717 HydrophobicContact CD1-CB 4.01Å; Y539-A717 HydrophobicContact CE1-CB 4.3Å; L540-A717 WeakPolarHBondContact CA-O 3.5Å; V541-A717 PolarHBondContact N-O 3.09Å; A712-A717 HydrophobicContact CB-CB 4.37Å; A712-A717 PolarHBondContact O-N 2.92Å; R715-A717 HydrophobicContact CB-CB 4.47Å; R715-A717 PolarHBondContact O-N 3.18Å
718I96.7Very high93.7Very high44 Ų4469.7 Ų69.723%0.22634%0.337CS..EExtended strand (participates in β ladder)trans-95.3124.5-179.5-61.2176.6000110.8V541 D543 L667 I709 A712 Q713 G716V541-I718 HydrophobicContact CB-CG1 4.4Å; V541-I718 CarbonylContact O-C 3.51Å; V541-I718 VanDerWaalsContact O-CA 3.3Å; V541-I718 WeakPolarHBondContact O-CA 3.5Å; D543-I718 HydrophobicContact CB-CG2 4.36Å; L667-I718 HydrophobicContact CD2-CD1 3.91Å; L667-I718 HydrophobicContact CD2-CG1 4.45Å; L667-I718 HydrophobicContact CD2-CG2 3.86Å; I709-I718 HydrophobicContact CG2-CD1 4.05Å; A712-I718 HydrophobicContact CB-CD1 4.29Å; A712-I718 HydrophobicContact CB-CG1 3.82Å; Q713-I718 HydrophobicContact CB-CD1 3.63Å; Q713-I718 HydrophobicContact CG-CD1 4.24Å; G716-I718 VanDerWaalsContact C-N 3.29Å; G716-I718 PolarHBondContact O-N 3.12Å
719I96.6Very high93.7Very high17 Ų1769.9 Ų69.99%0.08734%0.338CS..EExtended strand (participates in β ladder)trans-110.1111173.7-63.6162.2000108.6L540 V541 F542 D543 D729 K732L540-I719 HydrophobicContact CB-CD1 4.35Å; L540-I719 HydrophobicContact CD1-CD1 3.75Å; L540-I719 HydrophobicContact CD2-CD1 3.94Å; L540-I719 HydrophobicContact CG-CD1 4.23Å; V541-I719 PolarHBondContact O-N 3.26Å; F542-I719 CarbonylContact C-O 3.58Å; F542-I719 WeakPolarHBondContact CA-O 3.3Å; F542-I719 HydrophobicContact CD1-CB 3.89Å; F542-I719 HydrophobicContact CD1-CD1 4.28Å; F542-I719 HydrophobicContact CD1-CG2 3.79Å; F542-I719 HydrophobicContact CE1-CB 4.04Å; F542-I719 HydrophobicContact CE1-CD1 3.65Å; F542-I719 HydrophobicContact CE1-CG1 4.47Å; F542-I719 HydrophobicContact CE1-CG2 3.81Å; F542-I719 HydrophobicContact CE2-CD1 4.09Å; F542-I719 HydrophobicContact CG-CB 4.41Å; F542-I719 HydrophobicContact CZ-CD1 3.53Å; D543-I719 PolarHBondContact N-O 3.43Å; I719-D729 HydrophobicContact CG2-CB 4.02Å; I719-K732 HydrophobicContact CD1-CB 3.65Å; I719-K732 HydrophobicContact CD1-CD 4.23Å; I719-K732 HydrophobicContact CG1-CB 4.4Å; I719-K732 HydrophobicContact CG1-CD 4.15Å; I719-K732 HydrophobicContact CG2-CD 3.76Å
720K95.3Very high93.8Very high160 Ų16069.9 Ų69.970%0.69634%0.338SS*.EExtended strand (participates in β ladder)trans-73.9133.8168-64.9-175.4176.4-179.20110.1D543D543-K720 HydrophobicContact CB-CG 4.24Å
721T94.7Very high93.9Very high9 Ų970.7 Ų70.76%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-152.1164.9-175.3-163.30000112.9F542 D543 V544 G545 L564 Y726 D729F542-T721 HydrophobicContact CB-CG2 4.38Å; F542-T721 HydrophobicContact CD1-CG2 4.16Å; D543-T721 PolarHBondContact O-N 3.22Å; D543-T721 VanDerWaalsContact O-O 3.14Å; V544-T721 HydrophobicContact CG2-CG2 4.49Å; G545-T721 PolarHBondContact N-O 2.81Å; L564-T721 HydrophobicContact CD2-CG2 3.82Å; T721-Y726 HydrophobicContact CG2-CD1 3.95Å; T721-Y726 HydrophobicContact CG2-CE1 4Å; T721-Y726 WeakPolarHBondContact OG1-CD1 3.27Å; T721-D729 WeakPolarHBondContact CA-OD2 3.29Å; T721-D729 WeakPolarHBondContact CB-OD2 3.23Å; T721-D729 WeakPolarHBondContact OG1-CB 3.42Å; T721-D729 PolarHBondContact OG1-OD2 3.03Å
722C93.6Very high94Very high42 Ų4273.8 Ų73.828%0.28436%0.359SS..  trans-158.4170.817763.90000110.5D546 K724 N725 Y726D546-C722 HydrophobicContact CB-CB 4.25Å; D546-C722 WeakPolarHBondContact OD2-CA 3.42Å; D546-C722 WeakPolarHBondContact OD2-CB 3.28Å; C722-K724 PolarHBondContact O-N 2.57Å; C722-K724 VanDerWaalsContact O-N 3.08Å; C722-N725 CarbonylContact O-C 3.6Å; C722-N725 WeakPolarHBondContact O-CA 3.16Å; C722-N725 PolarHBondContact O-N 3.37Å; C722-Y726 VanDerWaalsContact C-CD1 3.45Å; C722-Y726 VanDerWaalsContact CA-CE1 3.46Å; C722-Y726 WeakPolarHBondContact O-CD1 3.43Å; C722-Y726 WeakPolarHBondContact O-CE1 3.26Å; C722-Y726 PolarHBondContact O-N 2.83Å
723D88.8Confident94.1Very high75 Ų7573.8 Ų73.840%0.40136%0.359SS..THydrogen-bonded Turntrans-51.5-38.2-169.9-156.949.2000114.3D546 K563 N725 Y726D546-D723 WeakPolarHBondContact OD2-CB 3.21Å; D546-D723 PolarHBondContact OD2-N 2.89Å; K563-D723 WeakPolarHBondContact CD-OD1 3.39Å; K563-D723 WeakPolarHBondContact CE-OD1 3.21Å; K563-D723 IonicContact NZ-OD1 3.39Å; K563-D723 PolarHBondContact NZ-OD1 3.37Å; K563-D723 IonicContact NZ-OD2 3.54Å; K563-D723 PolarHBondContact NZ-OD2 3.37Å; D723-N725 PolarHBondContact O-N 3.47Å; D723-Y726 HydrophobicContact CB-CE2 4.14Å; D723-Y726 WeakPolarHBondContact OD1-CE2 3.4Å
724K90.6Very high94.1Very high197 Ų19769.7 Ų69.786%0.85734%0.341SS*.THydrogen-bonded Turntrans-67.3-23.5177.7-61.6-175.5-179.7-177.60113.1C722C722-K724 PolarHBondContact O-N 2.57Å; C722-K724 VanDerWaalsContact O-N 3.08Å
725N93.2Very high93.8Very high75 Ų7564.5 Ų64.540%0.40132%0.319SS..THydrogen-bonded Turntrans-116.8-11.8-169-64.1-0.6000114.1C722 D723 R727 H728 D729C722-N725 CarbonylContact O-C 3.6Å; C722-N725 WeakPolarHBondContact O-CA 3.16Å; C722-N725 PolarHBondContact O-N 3.37Å; D723-N725 PolarHBondContact O-N 3.47Å; N725-R727 PolarHBondContact O-N 2.78Å; N725-H728 WeakPolarHBondContact O-CA 3.47Å; N725-H728 WeakPolarHBondContact O-CB 3.35Å; N725-H728 PolarHBondContact O-N 2.91Å; N725-D729 VanDerWaalsContact CB-OD2 3.23Å; N725-D729 WeakPolarHBondContact CB-OD2 3.23Å; N725-D729 PolarHBondContact O-N 3.42Å
726Y93.9Very high93Very high5 Ų568.7 Ų68.72%0.0235%0.345CS..Hα-helixtrans-47.6-43.4-174-67.3-25.4000113.6V544 D546 Q560 K563 L564 T721 C722 D723 H728 D729 A730V544-Y726 HydrophobicContact CG1-CE1 4.31Å; D546-Y726 VanDerWaalsContact CG-OH 3.27Å; D546-Y726 PolarHBondContact OD1-OH 3.41Å; D546-Y726 PolarHBondContact OD2-OH 3.4Å; Q560-Y726 WeakPolarHBondContact CB-OH 3.43Å; Q560-Y726 WeakPolarHBondContact CG-OH 3.27Å; K563-Y726 HydrophobicContact CB-CD2 3.85Å; K563-Y726 HydrophobicContact CB-CE2 3.81Å; K563-Y726 HydrophobicContact CD-CE2 4.17Å; L564-Y726 HydrophobicContact CB-CD1 4.16Å; L564-Y726 HydrophobicContact CB-CD2 4.3Å; L564-Y726 HydrophobicContact CB-CE1 4.46Å; L564-Y726 HydrophobicContact CB-CG 4.13Å; L564-Y726 HydrophobicContact CD1-CD1 3.99Å; L564-Y726 HydrophobicContact CD1-CG 4.07Å; L564-Y726 HydrophobicContact CD2-CD1 4.3Å; L564-Y726 HydrophobicContact CG-CD1 4.38Å; T721-Y726 HydrophobicContact CG2-CD1 3.95Å; T721-Y726 HydrophobicContact CG2-CE1 4Å; T721-Y726 WeakPolarHBondContact OG1-CD1 3.27Å; C722-Y726 VanDerWaalsContact C-CD1 3.45Å; C722-Y726 VanDerWaalsContact CA-CE1 3.46Å; C722-Y726 WeakPolarHBondContact O-CD1 3.43Å; C722-Y726 WeakPolarHBondContact O-CE1 3.26Å; C722-Y726 PolarHBondContact O-N 2.83Å; D723-Y726 HydrophobicContact CB-CE2 4.14Å; D723-Y726 WeakPolarHBondContact OD1-CE2 3.4Å; Y726-H728 PolarHBondContact O-N 3.39Å; Y726-D729 PolarHBondContact O-N 2.9Å; Y726-A730 WeakPolarHBondContact O-CB 3.22Å; Y726-A730 PolarHBondContact O-N 2.97Å
727R92.6Very high91.2Very high199 Ų19974.4 Ų74.475%0.75135%0.351SS*.Hα-helixtrans-67.3-34179.4-172.6173.5-178.6-160.72113.6E567 N725E567-R727 WeakPolarHBondContact OE2-CD 3.37Å; E567-R727 WeakPolarHBondContact OE2-CG 3.23Å; N725-R727 PolarHBondContact O-N 2.78Å
728H94.3Very high88.6Confident123 Ų12379.8 Ų79.857%0.56939%0.385SS*.Hα-helixtrans-73.7-46.3173.1167.7-89.3000110.9N725 Y726 A730 V731N725-H728 WeakPolarHBondContact O-CA 3.47Å; N725-H728 WeakPolarHBondContact O-CB 3.35Å; N725-H728 PolarHBondContact O-N 2.91Å; Y726-H728 PolarHBondContact O-N 3.39Å; H728-A730 VanDerWaalsContact C-N 3.33Å; H728-A730 PolarHBondContact O-N 3.44Å; H728-V731 VanDerWaalsContact O-CB 3.27Å; H728-V731 WeakPolarHBondContact O-CB 3.32Å; H728-V731 PolarHBondContact O-N 2.94Å
729D94.2Very high85.5Confident4 Ų483.4 Ų83.42%0.02141%0.409CS..Hα-helixtrans-72.2-28.1-175.6-66.1-27.3000112.4I719 T721 N725 Y726 V731 K732I719-D729 HydrophobicContact CG2-CB 4.02Å; T721-D729 WeakPolarHBondContact CA-OD2 3.29Å; T721-D729 WeakPolarHBondContact CB-OD2 3.23Å; T721-D729 WeakPolarHBondContact OG1-CB 3.42Å; T721-D729 PolarHBondContact OG1-OD2 3.03Å; N725-D729 VanDerWaalsContact CB-OD2 3.23Å; N725-D729 WeakPolarHBondContact CB-OD2 3.23Å; N725-D729 PolarHBondContact O-N 3.42Å; Y726-D729 PolarHBondContact O-N 2.9Å; D729-V731 PolarHBondContact O-N 2.92Å; D729-K732 HydrophobicContact CB-CD 4.4Å; D729-K732 VanDerWaalsContact O-CB 3.23Å; D729-K732 WeakPolarHBondContact O-CB 3.45Å; D729-K732 PolarHBondContact O-N 3.41Å; D729-K732 VanDerWaalsContact O-N 3.08Å; D729-K732 WeakPolarHBondContact OD1-CE 3.3Å; D729-K732 IonicContact OD1-NZ 2.66Å; D729-K732 PolarHBondContact OD1-NZ 2.97Å
730A94.4Very high82.6Confident1 Ų190.9 Ų90.91%0.00845%0.448CS..Hα-helixtrans-56.7-33.9167.200000111.9E567 I568 L571 Y726 H728 K732 I733E567-A730 HydrophobicContact CB-CB 4.45Å; I568-A730 HydrophobicContact CG1-CB 4.04Å; L571-A730 VanDerWaalsContact CD2-C 3.46Å; L571-A730 HydrophobicContact CD2-CB 4.3Å; L571-A730 WeakPolarHBondContact CD2-O 3.16Å; Y726-A730 WeakPolarHBondContact O-CB 3.22Å; Y726-A730 PolarHBondContact O-N 2.97Å; H728-A730 VanDerWaalsContact C-N 3.33Å; H728-A730 PolarHBondContact O-N 3.44Å; A730-K732 PolarHBondContact O-N 2.93Å; A730-K732 VanDerWaalsContact O-N 3.09Å; A730-I733 WeakPolarHBondContact O-CG1 3.39Å; A730-I733 WeakPolarHBondContact O-CG2 3.47Å; A730-I733 PolarHBondContact O-N 3.48Å
731V95.3Very high79.5Confident76 Ų7691.7 Ų91.746%0.46146%0.455SS..G310 helixtrans-60.1-24.6177.6-172.90000112.2L571 H728 D729 I733 L734L571-V731 HydrophobicContact CD2-CG2 4.49Å; H728-V731 VanDerWaalsContact O-CB 3.27Å; H728-V731 WeakPolarHBondContact O-CB 3.32Å; H728-V731 PolarHBondContact O-N 2.94Å; D729-V731 PolarHBondContact O-N 2.92Å; V731-I733 PolarHBondContact O-N 2.99Å; V731-L734 HydrophobicContact CG1-CD1 4.01Å; V731-L734 WeakPolarHBondContact O-CB 3.4Å; V731-L734 WeakPolarHBondContact O-CG 3.49Å; V731-L734 PolarHBondContact O-N 3.03Å; V731-L734 VanDerWaalsContact O-N 3.1Å
732K94.4Very high76.4Confident92 Ų92102.5 Ų102.540%0.449%0.494SS..G310 helixtrans-68.4-10.1176.3-57.5166.9176.3166.70113.5I719 D729 A730 L734I719-K732 HydrophobicContact CD1-CB 3.65Å; I719-K732 HydrophobicContact CD1-CD 4.23Å; I719-K732 HydrophobicContact CG1-CB 4.4Å; I719-K732 HydrophobicContact CG1-CD 4.15Å; I719-K732 HydrophobicContact CG2-CD 3.76Å; D729-K732 HydrophobicContact CB-CD 4.4Å; D729-K732 VanDerWaalsContact O-CB 3.23Å; D729-K732 WeakPolarHBondContact O-CB 3.45Å; D729-K732 PolarHBondContact O-N 3.41Å; D729-K732 VanDerWaalsContact O-N 3.08Å; D729-K732 WeakPolarHBondContact OD1-CE 3.3Å; D729-K732 IonicContact OD1-NZ 2.66Å; D729-K732 PolarHBondContact OD1-NZ 2.97Å; A730-K732 PolarHBondContact O-N 2.93Å; A730-K732 VanDerWaalsContact O-N 3.09Å; K732-L734 PolarHBondContact O-N 3.48Å
733I95.1Very high73.1Confident0 Ų0105.6 Ų105.60%052%0.516CS..G310 helixtrans-68-12.5168.377.4-174.6000112.9F536 Q537 L540 F542 I568 L571 I572 F662 A730 V731F536-I733 CarbonylContact C-O 3.59Å; F536-I733 WeakPolarHBondContact CA-O 3.34Å; F536-I733 HydrophobicContact CD1-CD1 4.17Å; F536-I733 HydrophobicContact CD1-CG1 4.05Å; F536-I733 HydrophobicContact CE1-CD1 4.48Å; Q537-I733 PolarHBondContact N-O 3.13Å; L540-I733 HydrophobicContact CD1-CB 4.31Å; L540-I733 HydrophobicContact CD1-CG2 4.1Å; F542-I733 HydrophobicContact CE2-CG2 4.05Å; F542-I733 HydrophobicContact CZ-CG2 3.65Å; I568-I733 HydrophobicContact CG1-CG2 4.5Å; I568-I733 HydrophobicContact CG2-CD1 4Å; L571-I733 HydrophobicContact CB-CD1 4.48Å; L571-I733 HydrophobicContact CD2-CD1 3.73Å; L571-I733 HydrophobicContact CD2-CG1 3.77Å; L571-I733 HydrophobicContact CG-CD1 4.18Å; I572-I733 HydrophobicContact CD1-CD1 4.4Å; I572-I733 HydrophobicContact CG1-CD1 3.89Å; F662-I733 HydrophobicContact CD1-CG2 4.46Å; F662-I733 HydrophobicContact CD2-CG2 4.23Å; F662-I733 HydrophobicContact CE1-CB 4.21Å; F662-I733 HydrophobicContact CE1-CG2 4.22Å; F662-I733 HydrophobicContact CE2-CB 4Å; F662-I733 HydrophobicContact CE2-CD1 4.21Å; F662-I733 HydrophobicContact CE2-CG2 3.97Å; F662-I733 HydrophobicContact CG-CG2 4.48Å; F662-I733 HydrophobicContact CZ-CB 3.71Å; F662-I733 HydrophobicContact CZ-CG2 3.98Å; A730-I733 WeakPolarHBondContact O-CG1 3.39Å; A730-I733 WeakPolarHBondContact O-CG2 3.47Å; A730-I733 PolarHBondContact O-N 3.48Å; V731-I733 PolarHBondContact O-N 2.99Å
734L93.9Very high70.5Confident38 Ų38110.4 Ų110.420%0.19954%0.541CS..BIsolated β-bridgetrans-79.5139.9178.8-57.7177.4000111P535 F536 Q537 K575 V731 K732 L736P535-L734 WeakPolarHBondContact O-CA 3.39Å; F536-L734 HydrophobicContact CD1-CD2 3.74Å; F536-L734 HydrophobicContact CE1-CD2 3.78Å; Q537-L734 PolarHBondContact NE2-O 3.48Å; K575-L734 HydrophobicContact CG-CD2 3.97Å; V731-L734 HydrophobicContact CG1-CD1 4.01Å; V731-L734 WeakPolarHBondContact O-CB 3.4Å; V731-L734 WeakPolarHBondContact O-CG 3.49Å; V731-L734 PolarHBondContact O-N 3.03Å; V731-L734 VanDerWaalsContact O-N 3.1Å; K732-L734 PolarHBondContact O-N 3.48Å; L734-L736 PolarHBondContact O-N 3.18Å
735K89.3Confident67.5Low55 Ų55106.2 Ų106.224%0.23953%0.532CS..PPolyproline II helixtrans-58.5126.3162.3-70.6179.9-179.6170.80107.4C530 S531 W534 P535 F536 K737C530-K735 PolarHBondContact O-NZ 3.47Å; C530-K735 VanDerWaalsContact O-NZ 3.11Å; S531-K735 PolarHBondContact O-NZ 3.36Å; W534-K735 WeakPolarHBondContact O-CD 3.28Å; W534-K735 VanDerWaalsContact O-CE 3.24Å; W534-K735 WeakPolarHBondContact O-CE 3.38Å; W534-K735 PolarHBondContact O-NZ 3.32Å; P535-K735 PolarHBondContact O-N 3.42Å; F536-K735 VanDerWaalsContact O-CE 3.27Å; F536-K735 WeakPolarHBondContact O-CE 3.26Å; K735-K737 PolarHBondContact O-N 3.2Å
736L77.6Confident64.5Low155 Ų155111.4 Ų111.481%0.81255%0.554SS**PPolyproline II helixtrans-56.8132.9168-65.2175.9000107.6L734L734-L736 PolarHBondContact O-N 3.18Å
737K55.5Low61.5Low187 Ų187116.3 Ų116.381%0.81359%0.586SS**PPolyproline II helixtrans-56.8137.8170.7-74.7-172.5175.9-175.20108K735 V739K735-K737 PolarHBondContact O-N 3.2Å; K737-V739 PolarHBondContact O-N 3.25Å
738P41.5Very low58.5Low122 Ų122113 Ų11379%0.79259%0.59SS**  trans-61.4103.7167.826.4-32.4000107.7L740P738-L740 PolarHBondContact O-N 3.31Å
739V31.7Very low55.3Low119 Ų119113.5 Ų113.572%0.72160%0.602SS**  trans-62.9134.5167.2177.70000106.2K737 Q741K737-V739 PolarHBondContact O-N 3.25Å; V739-Q741 PolarHBondContact O-N 3.47Å
740L34.8Very low52.3Low174 Ų174121.2 Ų121.291%0.91164%0.642SS**  trans-66.578.7171.7-83.2158.8000109.5P738 R742P738-L740 PolarHBondContact O-N 3.31Å; L740-R742 PolarHBondContact O-N 3.14Å
741Q29.5Very low49.1Very low178 Ų178125.1 Ų125.183%0.83267%0.674SS**  trans-64.9116.3167.3-75.4-171.4-53.800107.9V739 S743V739-Q741 PolarHBondContact O-N 3.47Å; Q741-S743 PolarHBondContact O-N 3.3Å
742R29.5Very low46Very low236 Ų236127.5 Ų127.589%0.89169%0.691SS**  trans-53.4139.2163.2-80.5176.9163.5161.8-6.6108.7L740 L744L740-R742 PolarHBondContact O-N 3.14Å; R742-L744 PolarHBondContact O-N 3.36Å
743S26.2Very low42.8Very low106 Ų106132.8 Ų132.874%0.74172%0.717SS**  trans-58.1108.9-179.548.90000111.7Q741Q741-S743 PolarHBondContact O-N 3.3Å
744L33Very low39.6Very low176 Ų176136 Ų13692%0.92175%0.751SS**  trans-109.673.5162.2-81.1172.4000108.9R742R742-L744 PolarHBondContact O-N 3.36Å
745T28.7Very low36.4Very low110 Ų110140.1 Ų140.168%0.67578%0.782SS**  trans-118.498.4171.747.80000108.5
746H28.7Very low33.5Very low184 Ų184148.1 Ų148.185%0.85281%0.811SS**  trans-179.4128.8137.3-86.8-56.7000108.4
747P31.7Very low31.3Very low107 Ų107147 Ų14770%0.69581%0.814SS**PPolyproline II helixtrans-76.2155.1169.333.3-34000110.5T749P747-T749 PolarHBondContact O-N 2.98Å
748P28.6Very low30Very low129 Ų129146.8 Ų146.884%0.83882%0.815SS**PPolyproline II helixtrans-71.3127.5177.929.2-33.8000111.3
749T27.9Very low29.3Very low135 Ų135145.2 Ų145.283%0.82882%0.821SS**PPolyproline II helixtrans-92.4144.8168.3-54.50000109.9P747P747-T749 PolarHBondContact O-N 2.98Å
750I31.3Very low29.1Very low165 Ų165143.2 Ų143.285%0.84682%0.824SS**PPolyproline II helixtrans-63.9137.1-178.9-61.3164.4000110.2
751A26.2Very low29Very low84 Ų84143.3 Ų143.369%0.69483%0.825SS**  trans-105.6138173.900000111.2
752P30.9Very low30.1Very low125 Ų125140.5 Ų140.581%0.81282%0.822SS**  trans-79.4167.1160.734.8-33.2000111.2
753E27.7Very low29.9Very low203 Ų203134.5 Ų134.595%0.94982%0.816SS**  trans-76.3152.7-175.3-59.5178.910800113.9
754G27.3Very low29.9Very low68 Ų68133.5 Ų133.570%0.70181%0.809SS**  trans178.986.5176.200000116.3
755S26.9Very low29.7Very low124 Ų124133.9 Ų133.987%0.86780%0.804SS**  trans46.5129.6159.352.20000122.2
756R27.6Very low29.7Very low223 Ų223134.9 Ų134.984%0.84280%0.804SS**  trans-69.6159.3159-63.5175.7169.3167.1-3.9111
757P31.4Very low29.6Very low133 Ų133132.1 Ų132.186%0.86480%0.795SS**  -133.8-168.589.333.4-18.3000114.1
758Q27.8Very low29.4Very low182 Ų182133 Ų13385%0.8580%0.804SS**  trans-110.8159.9-165.7-59.6168-42.900113.8
759G28Very low29.2Very low89 Ų89129.8 Ų129.892%0.91880%0.795SS**  trans106.6138.1142.700000117.7
760G27.1Very low29.3Very low76 Ų76133.2 Ų133.278%0.78480%0.799SS**  trans151.1117172.300000112.7
761L32.7Very low29.1Very low176 Ų176129.5 Ų129.592%0.92179%0.793SS**  trans-92.6161.3176.5-105.980.6000112.4
762P52Low29.3Very low120 Ų120134.4 Ų134.478%0.77980%0.798SS**  trans-96145.5-170.336.8-34.8000114.7
763S26.6Very low29.1Very low110 Ų110134 Ų13477%0.76979%0.793SS**  trans-174.8152.1162.6177.90000109
764S26.8Very low29Very low84 Ų84128.8 Ų128.859%0.58778%0.779SS**  cis-170164-36.358.60000107.4
765K28.4Very low29Very low185 Ų185132.3 Ų132.380%0.80479%0.787SS**  trans64.1171.5166.5-60.5177176.71800115.6
766L28.6Very low28.9Very low130 Ų130130.1 Ų130.168%0.68178%0.777SS**  cis-151.8166.2-40.1-106.8171.8000108.4
767D25.6Very low28.9Very low126 Ų126124 Ų12467%0.67477%0.773SS**  trans47.2130.4148.5-62-34.6000123
768S27.9Very low28.6Very low125 Ų125123.2 Ų123.287%0.87477%0.771SS**  trans72.9148.1144.377.70000118.7
769G25.6Very low28.6Very low63 Ų63120.6 Ų120.665%0.64976%0.763SS**  cis173166.6-800000114.1
770F28.6Very low28.5Very low207 Ų207125.5 Ų125.591%0.90876%0.755SS**  trans44.8110.3161.4-76.7-83.6000120.3
771A28.6Very low28.6Very low87 Ų87130.8 Ų130.872%0.71976%0.758SS**  trans78.5167.713500000116.3
772K28.8Very low28.5Very low186 Ų186128 Ų12881%0.80975%0.749SS**  cis-149.6178.87.2-145155.9-175.3178.70110
773T26.6Very low27.9Very low116 Ų116128.5 Ų128.571%0.71275%0.752SS**  trans-0.9146.515049.30000119.1
774S26.3Very low27.9Very low94 Ų94127.9 Ų127.966%0.65775%0.748SS**  cis167.8158.74.649.30000110.4
775V26.9Very low28.1Very low143 Ų143131.3 Ų131.387%0.86776%0.76SS**  trans64.7155.4152.6168.60000114.8
776A26.1Very low28.2Very low78 Ų78126.9 Ų126.965%0.64575%0.752SS**  cis-125.3161.8-9.700000107.8
777A26.8Very low28.2Very low93 Ų93130.1 Ų130.177%0.76976%0.761SS**  61.6151.367.400000115.5
778S25.8Very low28.4Very low117 Ų117132.7 Ų132.782%0.81877%0.768SS**  trans79.8145.7-176.8-148.40000116
779L26.8Very low28.3Very low128 Ų128135 Ų13567%0.6777%0.769SS**  -166.7168.5-51.6-109.3170.7000108.3
780Y26.7Very low28.3Very low192 Ų192137.5 Ų137.575%0.75377%0.772SS**  trans30.1131.4163.5-59.4-60.8000121.3
781H27.9Very low28.2Very low186 Ų186135.6 Ų135.686%0.86177%0.77SS**  -168.7144.4105-108.5-77.3000113.2
782T30.3Very low28.1Very low118 Ų118136.6 Ų136.672%0.72477%0.768SS**  trans-106.1160.7154.147.60000109.1
783P39.3Very low28Very low131 Ų131133.9 Ų133.985%0.85177%0.767SS**  -134.5-171.5120.838.8-28.9000113.2
784S28.2Very low28Very low97 Ų97135.2 Ų135.268%0.67878%0.775SS**  trans-121.4-170.8-166-53.50000113.1
785D30.3Very low28Very low156 Ų156135.9 Ų135.983%0.83478%0.779SS**  trans79.5149.9154.1-60.4-14.6000119
786S30Very low28.1Very low91 Ų91138.4 Ų138.464%0.63678%0.779SS**  cis-168.7175.1-22.458.10000112
787K28.5Very low28.4Very low199 Ų199142 Ų14287%0.86579%0.787SS**  trans86.9152.4155.7-70.6174.2-177.5178.30121.3
788E30.2Very low29.3Very low179 Ų179143 Ų14384%0.83679%0.785SS**  trans-101.9171.6-176.6-52.6153.9109.800111.3
789I26.1Very low29.4Very low173 Ų173146 Ų14689%0.88779%0.787SS**  trans-163.5150.2136.3-104.6154.8000110.6
790T26.4Very low29.5Very low117 Ų117151 Ų15172%0.71880%0.797SS**  trans-100.6153.7-174.9-39.80000111.4
791L25.3Very low30.3Very low166 Ų166147 Ų14787%0.86979%0.794SS**  177.6177.1130-95.1165.2000114.5
792T26.2Very low31.6Very low109 Ų109143.1 Ų143.167%0.66979%0.785SS**  trans-119.9149.2-145.145.10000117.3
793V27.7Very low31.5Very low129 Ų129143.4 Ų143.478%0.78279%0.787SS**  trans67.2118.7138.2173.20000120.8
794T26.2Very low31.1Very low143 Ų143144 Ų14488%0.87778%0.778SS**  -172.9-173.112520.20000110.8
795S27.1Very low31.1Very low108 Ų108144.9 Ų144.976%0.75578%0.775SS**  trans-147.2165.2-154.657.40000117.6
796K28.2Very low31Very low196 Ų196144.4 Ų144.485%0.85277%0.768SS**  trans116.7138154.5-69.1-173.4173.9-1770118.5
797D32.4Very low30.9Very low153 Ų153147.4 Ų147.482%0.81878%0.776SS**  trans-82.4172.1169.1-41.1-84.6000112.6
798P46Very low31Very low114 Ų114145.5 Ų145.574%0.7477%0.77SS**  -126.5179.591.840.6-33.6000112.4
799E27.5Very low31Very low180 Ų180143.8 Ų143.884%0.84177%0.766SS**  cis-157.2-176.225.2-151.5152.4-118.400113.5
800R28Very low31.8Very low235 Ų235140.2 Ų140.289%0.88776%0.755SS**  trans-166.8-170.8-170.3-121.6-174.8-175.8-163.94.8109.3
801P44.2Very low31.7Very low108 Ų108145.7 Ų145.770%0.70176%0.762SS**  cis-130.5-123.1-2736.5-13.3000109.6
802P55.5Low31.8Very low103 Ų103145.1 Ų145.167%0.66976%0.759SS**  cis-128.2-175.2-44.338.2-20.9000114.9
803V27.3Very low31.8Very low124 Ų124146.7 Ų146.775%0.75276%0.763SS**  -173.9121.2121.6148.90000110.8
804H30.8Very low31.7Very low145 Ų145149.2 Ų149.267%0.67176%0.763SS**  trans25.3145.9149.6-59.6-73.7000123.6
805D29.1Very low31.7Very low114 Ų114153.1 Ų153.161%0.6176%0.762SS**  cis-159.9175.1-4.6-124.2-22.4000119
806Q29.1Very low31.7Very low147 Ų147156.2 Ų156.269%0.68777%0.766SS**  trans-29.5156172.1-68.3156.374.700120.1
807L27.6Very low31.5Very low153 Ų153149.6 Ų149.680%0.80175%0.754SS**  cis73.7145.243.1-61.5168.2000113.4
808Q29.8Very low31.3Very low159 Ų159150 Ų15074%0.74376%0.755SS**  cis-162.4160.110.4-149.1174.9-15.100114.1
809D29.8Very low30.2Very low143 Ų143152.6 Ų152.677%0.76576%0.757SS**  trans61.9165.6148.6-94.127.5000125.3
810P43Very low30.2Very low99 Ų99150.9 Ų150.964%0.64376%0.758SS**  trans-132.2176.9-159.842.4-25.9000118.8
811R25.3Very low30.1Very low232 Ų232149 Ų14988%0.87576%0.757SS**  trans110.6148.9160.3-59.9170.9173.8176.5-0.6117.6
812L26.4Very low29.2Very low154 Ų154147.8 Ų147.881%0.80676%0.764SS**  trans87.398.9160.4-52.7-176.3000122.7
813L26.3Very low27.7Very low141 Ų141146.3 Ų146.374%0.73877%0.767SS**  74.3110.9129.4-93.584.7000125.9
814K26.3Very low27.7Very low182 Ų182147.7 Ų147.779%0.79177%0.769SS**  54.6121.2121.9-71.8-174.1178.2-176.70123.2
815R26.1Very low27.3Very low226 Ų226149.9 Ų149.985%0.85378%0.777SS**  154.3147.5124.7-87.8173.3-167.7-1715.1109.3
816M26.1Very low27.1Very low172 Ų172150.8 Ų150.885%0.84778%0.781SS**  cis-138.1169-11-80.8121.2146.100106.7
817G25.9Very low26.9Very low58 Ų58155.3 Ų155.360%0.59879%0.792SS**  cis-154.3163.9-200000109.5
818I26.2Very low26.7Very low162 Ų162154.6 Ų154.683%0.83179%0.789SS**  60.8119.794.4-57.4173.5000112.6
819E24.8Very low26.8Very low167 Ų167152.9 Ų152.978%0.7879%0.792SS**  cis-164.5161.2-8.4-121.7-171.5172.600109.7
820V26.6Very low26.6Very low145 Ų145154.9 Ų154.988%0.87980%0.796SS**  trans-177.6150.2130.4146.60000110.4
821K26.8Very low26Very low195 Ų195155.7 Ų155.785%0.84880%0.802SS**  trans-75.6159.5-162-58.3162.9180172.20115.9
822G25.1Very low26.1Very low83 Ų83150.6 Ų150.686%0.85680%0.802SS**  trans129.9130.215100000114
823G24.3Very low26.1Very low72 Ų72148.3 Ų148.374%0.74280%0.798SS**  trans-160.4157.9179.700000115.7
824I26.3Very low26.7Very low152 Ų152147.9 Ų147.978%0.77980%0.804SS**  trans63.3114.4163.4-50.9174.7000116.5
825F22.6Very low26.8Very low191 Ų191147.3 Ų147.384%0.83880%0.804SS**  -167.8175.6115.2-110.8-75.9000111.8
826L24.4Very low27.1Very low133 Ų133144.5 Ų144.570%0.69680%0.801SS**  trans-79.9152.7-173.8-71.871.4000112.8
827W24.2Very low27.8Very low242 Ų242142.5 Ų142.592%0.91780%0.8SS**  -173.9179.1110.5-114.8-41.1000115.2
828D24.6Very low27.7Very low138 Ų138142.9 Ų142.974%0.73880%0.804SS**  trans-77.1162-176.2-57.2-81.9000115.1
829P31.9Very low27.7Very low124 Ų124140.3 Ų140.381%0.80581%0.807SS**  trans-10811416535.3-25.8000113.8
830Q24.9Very low27.7Very low185 Ų185138.8 Ų138.886%0.86481%0.809SS**PPolyproline II helixtrans-86.7141.2154.9-90.7-90.1-34.100109.9
831P31.1Very low28.4Very low116 Ų116137.3 Ų137.375%0.75380%0.803SS**PPolyproline II helixtrans-91.6133.1164.333.9-29.1000111.3
832S26.2Very low29.1Very low125 Ų125133 Ų13387%0.87480%0.795SS**PPolyproline II helixtrans-91.1164.9-174.549.30000114.7
833S26.8Very low29.2Very low105 Ų105135.8 Ų135.873%0.73480%0.795SS**PPolyproline II helixtrans-101.5155.8175.147.10000113
834P39.3Very low29.3Very low133 Ų133136.2 Ų136.286%0.86480%0.8SS**PPolyproline II helixtrans-84166.6176.334.5-35.3000113.4
835Q28.4Very low29.3Very low169 Ų169138.1 Ų138.179%0.7981%0.805SS**  trans-116.7138.5-165.5-69.7-179.4-21.100115.3
836H31.6Very low30.2Very low168 Ų168135.1 Ų135.178%0.77881%0.805SS**  trans58171.8138.3-69.3-47.8000120.3
837P41.7Very low30.1Very low130 Ų130131.6 Ų131.684%0.84480%0.801SS**  cis-114.2-179.83.142.1-29.3000114.4
838G24.9Very low30.1Very low65 Ų65130.2 Ų130.267%0.6780%0.802SS**  cis173.7-161.6-2.500000112.7
839A25.6Very low30.5Very low109 Ų109129 Ų12990%0.90180%0.802SS**  trans85155.1177.400000119.3
840T24.2Very low30.2Very low134 Ų134129.3 Ų129.382%0.82280%0.801SS**  trans-134.9-177.3-159.935.70000111
841P40.5Very low30.2Very low115 Ų115126.7 Ų126.775%0.74780%0.797SS**  cis-126-137.3-25.438.6-17.5000109.3
842P43.5Very low29.9Very low105 Ų105129.4 Ų129.468%0.68280%0.799SS**  cis-130.9164.5-27.739.7-22.9000117.1
843T27.1Very low30Very low141 Ų141132.5 Ų132.587%0.86580%0.8SS**  trans18.2134.6149.659.90000123.9
844G25.2Very low29.8Very low81 Ų81134.5 Ų134.584%0.83580%0.803SS**  trans173.4101.1154.900000116
845E27.4Very low29.2Very low192 Ų192135.1 Ų135.190%0.89780%0.798SS**  trans-95.9175.7165.5-90.6-168.1176.700110.8
846P40.6Very low29Very low127 Ų127131.4 Ų131.483%0.82579%0.791SS**  cis-122.9-173.43.640.8-25000113
847G22.7Very low28.8Very low60 Ų60131.4 Ų131.462%0.61979%0.791SS**  cis147.2146-6.600000111.9
848F24.2Very low28.1Very low213 Ų213131.4 Ų131.493%0.93478%0.782SS**  trans-151143.7170.3-94.4-77.2000110.4
849P33.1Very low28Very low113 Ų113137 Ų13773%0.73479%0.791SS**  trans-94.9156.8-166.436.5-35.6000115.2
850V25.5Very low27.9Very low129 Ų129140.2 Ų140.278%0.78279%0.787SS**  trans-106.2142161.3173.50000108.4
851V25.1Very low28.8Very low131 Ų131139.1 Ų139.179%0.79478%0.782SS**  trans-126.1110.6167.4179.50000109.4
852H25Very low28.1Very low172 Ų172138.2 Ų138.280%0.79679%0.785SS**  trans-80.1154.1156.4-93.7-94.9000109.2
853Q27Very low27.3Very low190 Ų190137.6 Ų137.689%0.88879%0.788SS**  trans-151.9142146.5-126.4172.313.200112.5
854D23.8Very low27.3Very low148 Ų148137.1 Ų137.179%0.79179%0.785SS**  trans-155167.9167.6-157.6-14.3000107.2
855L26.5Very low27.4Very low145 Ų145139.6 Ų139.676%0.75978%0.784SS**  trans74100.6170.8-58172.3000120.4
856S23.8Very low27.3Very low92 Ų92134.9 Ų134.964%0.64378%0.778SS**  97.7141113.479.90000122.8
857H27.3Very low26.6Very low168 Ų168133 Ų13378%0.77877%0.772SS**  trans63.7152.9159-63-58.1000118.3
858I26.8Very low26.8Very low130 Ų130137.9 Ų137.967%0.66778%0.783SS**  cis-154.9147-8.4-113.4162.6000105.8
859Q22.5Very low26.8Very low183 Ų183133.2 Ų133.286%0.85578%0.777SS**  178.417985.3-153.4145.9-5.900112.3
860Q23.3Very low26.5Very low175 Ų175132.7 Ų132.782%0.81878%0.776SS**  trans-110.3-163.1-175.8-47.2177.1-2900111.2
861P43.9Very low26.5Very low111 Ų111135.4 Ų135.472%0.72178%0.78SS**  cis-140.5175.4-8.939.5-20.1000117.9
862A25.4Very low26.4Very low97 Ų97138.3 Ų138.380%0.80278%0.782SS**  trans66146.3151.700000120.6
863A27.8Very low27.3Very low91 Ų91135.5 Ų135.575%0.75278%0.779SS**  cis-167.4-176.1-14.300000111.5
864V27.3Very low28.2Very low132 Ų132131.3 Ų131.380%0.877%0.768SS**  trans94.995158.3-1720000120.4
865V25.8Very low28.4Very low133 Ų133130.2 Ų130.281%0.80677%0.767SS**  trans69127.3130.1178.90000123.6
866A26.6Very low28.6Very low93 Ų93135.3 Ų135.377%0.76978%0.776SS**  trans69.1148.7152.100000121.4
867A25.3Very low28.7Very low86 Ų86134.7 Ų134.771%0.71178%0.784SS**  cis-167.2161.1-20.500000113.5
868L26.2Very low28.6Very low163 Ų163135.8 Ų135.885%0.85379%0.79SS**  trans68.2119.1149-76.7161.9000124
869S24.7Very low29.7Very low115 Ų115135.2 Ų135.280%0.80479%0.794SS**  trans75.1154.4145.885.70000118.6
870S26.1Very low30.5Very low102 Ų102132.5 Ų132.571%0.71379%0.793SS**  cis-146.6153.67.555.30000114.8
871H26.6Very low30.8Very low187 Ų187129 Ų12987%0.86679%0.794SS**  trans28.4122.7161-65.5-73.1000126
872K23.3Very low30.1Very low192 Ų192128.8 Ų128.884%0.83580%0.801SS**  trans-103.4-174.4145.4-100.4-176.9178.2176.40108.1
873P44.3Very low30.1Very low112 Ų112129.5 Ų129.573%0.72780%0.8SS**  cis-128.5-105.4-41.736.4-18.2000115.5
874P45.3Very low30.7Very low102 Ų102130.2 Ų130.266%0.66280%0.797SS**  -122.3169.5-89.942.5-27000118.8
875V28.1Very low30.6Very low126 Ų126133 Ų13376%0.76480%0.802SS**  trans50.4123.5132.8175.60000123.9
876R31Very low30.7Very low251 Ų251131.5 Ų131.595%0.94780%0.803SS**  trans45136.5146.2-72179.9168.6-174.5-4.5123.3
877G24.4Very low30.7Very low79 Ų79132.5 Ų132.581%0.81480%0.804SS**  trans-166.1143.7150.200000113.6
878E27Very low30.7Very low192 Ų192134.7 Ų134.790%0.89781%0.809SS**  trans-127.3172.1166-76.1-174.1153.600107.6
879P48.2Very low30.7Very low118 Ų118133 Ų13377%0.76681%0.809SS**  cis-106.1-112.5-12.638-21.3000108.4
880P40.1Very low30.7Very low126 Ų126135.5 Ų135.582%0.81881%0.808SS**  cis-104.8-143.9-1543.3-31.2000111.9
881A30.6Very low30.8Very low102 Ų102136.3 Ų136.384%0.84381%0.814SS**  trans-148.9151.5174.200000112.9
882A27.6Very low30.8Very low105 Ų105135.7 Ų135.787%0.86881%0.809SS**  trans-156143.7162.900000111.2
883S25.9Very low30.9Very low113 Ų113131.7 Ų131.779%0.7980%0.804SS**  trans-93.3172.2164.850.40000109.1
884P40Very low30.1Very low105 Ų105133.1 Ų133.168%0.68281%0.805SS**  cis-146.9-155.527.444.8-22.8000116.5
885E25Very low29.3Very low192 Ų192135.9 Ų135.990%0.89781%0.814SS**  trans84.4164.7158.2-81.7171.5-14600120.1
886A28.3Very low30.1Very low100 Ų100134.7 Ų134.783%0.82681%0.809SS**  trans-120.7155.8-15200000112.5
887S26.3Very low29.9Very low114 Ų114131.2 Ų131.280%0.79780%0.804SS**  trans-14412516550.80000111.6
888T25.7Very low30.1Very low133 Ų133135.7 Ų135.782%0.81680%0.804SS**  trans-77.2132.9166.445.10000110
889C26.3Very low30Very low128 Ų128134.9 Ų134.987%0.86580%0.8SS**  trans-109.2111.5161.5-76.50000109.6
890Q25.5Very low29Very low166 Ų166136.3 Ų136.378%0.77680%0.8SS**  trans-80.9142.4166.9-64.6174.5-14.600109.3
891S27.9Very low28.2Very low120 Ų120135.6 Ų135.684%0.83980%0.797SS**  trans-114.1114.3157.755.60000108.1
892K25.2Very low28.1Very low174 Ų174140.3 Ų140.376%0.75780%0.801SS**  trans-83.2179.2170.2-78.4-170.9172.6-171.50110.7
893C26.9Very low28Very low107 Ų107146.3 Ų146.372%0.72380%0.801SS**  trans89.6129.7164.9-54.80000117.1
894D26.6Very low28Very low142 Ų142151.8 Ų151.876%0.75981%0.805SS**  cis-159.3139.4-24.8-92.5-38.4000106.5
895D29.1Very low27.4Very low160 Ų160155.6 Ų155.686%0.85681%0.813SS**  trans-89.8158.1165.1-71.3-51.1000109.3
896P45.4Very low27.4Very low102 Ų102150.8 Ų150.866%0.66281%0.807SS**  -145154.798.938.8-25.1000115.7
897E26.9Very low27.3Very low177 Ų177156.9 Ų156.983%0.82781%0.808SS**  trans59.7148.9140.1-69.8162.3-155.600120.8
898E26.9Very low27.2Very low174 Ų174156.1 Ų156.181%0.81381%0.809SS**  cis-160.1163.2-32.9-137-173.2-17700108.5
899E25.7Very low27.1Very low175 Ų175158.3 Ų158.382%0.81881%0.807SS**  trans144.690.6150.9-78.4-157140.600114.6
900L26.2Very low27.1Very low147 Ų147156.7 Ų156.777%0.7780%0.797SS**  42.499.7128.8-65.5166.4000120.5
901C24.7Very low27.2Very low111 Ų111157.7 Ų157.775%0.7580%0.802SS**  40.1129.7115.1-77.40000121
902H27.1Very low27.1Very low202 Ų202155.2 Ų155.294%0.93580%0.795SS**  -153.2160.7114-102.9-51.7000113.6
903R27Very low27.1Very low230 Ų230155.3 Ų155.387%0.86880%0.799SS**  trans-136.2120.8-169177.8-168.7-171-177.65.1109.8
904R25.6Very low27Very low229 Ų229157.1 Ų157.186%0.86480%0.796SS**  trans-167.5128.3163.1-99.2149.9-174.5-1763106.3
905E26.1Very low26.9Very low185 Ų185159.5 Ų159.586%0.86480%0.803SS**  73.6125.859.5-68-167.8147.600114.9
906A26.5Very low26.8Very low91 Ų91160.9 Ų160.975%0.75280%0.801SS**  trans-24.6142.4178.300000120.1
907R24.8Very low25.8Very low227 Ų227162.4 Ų162.486%0.85781%0.813SS**  -177.8129.5120.4-98.2159.3-169.6-161.84.1113.7F909R907-F909 HydrophobicContact CG-CD2 4.45Å
908A24.9Very low25.5Very low98 Ų98156.5 Ų156.581%0.8180%0.8SS**  trans-17383.4152.200000105.3
909F24.3Very low25.5Very low180 Ų180153.7 Ų153.779%0.78980%0.799SS**  56.6136.983.3-97.5-80.9000115.1R907R907-F909 HydrophobicContact CG-CD2 4.45Å
910S26.5Very low25.4Very low93 Ų93153.8 Ų153.865%0.6580%0.8SS**  trans-114.2-165.2-164.451.30000112
911E26.5Very low25.5Very low188 Ų188152 Ų15288%0.87980%0.795SS**  trans80.9133.8176.7-55.5172.4-165.400114.9
912G25.2Very low25.5Very low68 Ų68155.9 Ų155.970%0.70180%0.802SS**  cis163.3132.9-11.800000113.8
913E25.9Very low25.5Very low176 Ų176154.3 Ų154.382%0.82279%0.794SS**  trans60.1166.7164-62.5-166.7-179.700115.8
914Q24.5Very low25.4Very low145 Ų145149.3 Ų149.368%0.67879%0.79SS**  cis-135.2159.1-15.2-125.51697200105.8
915E25.7Very low25.3Very low191 Ų191148.3 Ų148.389%0.89379%0.786SS**  -171.717093-92.7-163.2136.100111.5
916K25.5Very low25.3Very low190 Ų190149.1 Ų149.183%0.82678%0.781SS**  trans-118.4134.9-174.2-60.4164.7-177.7162.90112.2
917C24.4Very low25.2Very low133 Ų133151.5 Ų151.590%0.89978%0.781SS**  trans-169.2143.6137.5-112.60000109.9
918G22.5Very low25.3Very low54 Ų54145.5 Ų145.556%0.55777%0.774SS**  cis116.4109-4.500000113.2
919S24.9Very low25.3Very low115 Ų115151.1 Ų151.180%0.80477%0.774SS**  trans62.1161.7167.519.50000116.4
920E24.3Very low25.4Very low176 Ų176153.8 Ų153.882%0.82278%0.779SS**  cis-154.4-169.9-27.7-125.1177.7166.400110.3
921T27.8Very low25.4Very low111 Ų111154.7 Ų154.768%0.68178%0.777SS**  trans-44154.4175.358.60000116.5
922H25Very low25.5Very low191 Ų191154.5 Ų154.588%0.88477%0.773SS**  -147.3147.8125.1-108.9-73.8000112.6
923H26.8Very low25.5Very low169 Ų169162.5 Ų162.578%0.78278%0.782SS**  trans-120.4174.3-174.8-122.3-9.9000110.7
924T26.2Very low25.5Very low126 Ų126159.6 Ų159.677%0.77378%0.777SS**  trans78.8154171.585.10000116.2
925R23.7Very low25.6Very low207 Ų207159 Ų15978%0.78178%0.777SS**  cis-158.5139.50.5-136.3166.1-170.7-169.15.7113.3
926R25.4Very low25.6Very low202 Ų202157.2 Ų157.276%0.76277%0.769SS**  trans46.5143.7140.4-86.4-174.4172.9169.6-2.3124.5
927N24.4Very low25.6Very low141 Ų141156.2 Ų156.275%0.75477%0.767SS**  trans73.8153.9145.5-66.29.6000118
928S27.1Very low25.7Very low101 Ų101158.3 Ų158.371%0.70676%0.764SS**  cis-163.7131.4-10.937.80000110.1
929R25.1Very low25.8Very low216 Ų216162.8 Ų162.882%0.81578%0.775SS**  61.6109.199.7-169.4-165.6-176.8174.85.1117.8
930W25.7Very low25.9Very low237 Ų237162.2 Ų162.290%0.89877%0.771SS**  trans-169.1126.7137.8-85-15.2000106.8
931D26.3Very low26Very low112 Ų112158.7 Ų158.760%0.59977%0.766SS**  66.8115.176.6-70.5-60.3000113
932K29.6Very low25.9Very low184 Ų184157.9 Ų157.980%0.877%0.765SS**  88105.354.2-91.5-167169.5-175.10115.1
933R24.4Very low26Very low235 Ų235157.6 Ų157.689%0.88776%0.761SS**  trans167.7140.1145.9-88.7151-169.3-137.21.7107.1
934T26.2Very low26.2Very low116 Ų116158.8 Ų158.871%0.71276%0.764SS**  60.4138.754.858.10000114.8
935L26.6Very low26.4Very low131 Ų131163.2 Ų163.269%0.68677%0.766SS**  cis-106-146-6.4-77.891.9000108.6
936E25.8Very low26.6Very low155 Ų155161.5 Ų161.572%0.72477%0.765SS**  cis-129.1178.40-10068.5-151.500107.6
937Q26.3Very low26.8Very low168 Ų168158.7 Ų158.779%0.78576%0.764SS**  cis95.8150.218.3-153.1165-69.300117.1
938E25.6Very low27Very low178 Ų178163.6 Ų163.683%0.83279%0.789SS**  trans67.7162.3-175.6-62.1-167.3174.500118.8
939D25.1Very low27Very low148 Ų148166.7 Ų166.779%0.79179%0.793SS**  -159.5173.6-65-148.3-27.6000109.3
940S26.1Very low27.1Very low102 Ų102164.1 Ų164.171%0.71379%0.792SS**  trans67.8141.8173790000115.4
941S26.1Very low27.2Very low102 Ų102160.1 Ų160.171%0.71379%0.786SS**  cis88.8105.330.9-173.60000115.3
942S26.6Very low27.3Very low94 Ų94162.9 Ų162.966%0.65780%0.797SS**  trans85.3132.9138.5-61.90000122
943K27.5Very low27.1Very low185 Ų185161.6 Ų161.680%0.80480%0.796SS**  trans78.4118.5151.5-65156.7-176172.60119.3
944K30.6Very low27.3Very low194 Ų194156.7 Ų156.784%0.84379%0.79SS**  26.2132.9119.5-61.3175.1179.6176.30115.6
945R29.4Very low27.4Very low220 Ų220159.6 Ų159.683%0.8380%0.796SS**  cis-177.7163.343.6-141.4174.9-177.5171.4-1.2112
946K28.9Very low27.5Very low171 Ų171161.8 Ų161.874%0.74381%0.805SS**  trans74.1130152.2-85.4-173.2168.1-168.80121.2
947L29.5Very low27.6Very low143 Ų143162.3 Ų162.375%0.74981%0.811SS**  trans64.893.4139.3-61.8168.1000118.8
948L29.2Very low27.7Very low243 Ų243161.8 Ų161.8100%1.27281%0.814SS**  -140.9077-105.7161.9000110.5

Retrieved 948 of 948 residues in 276.4 ms (Link to these results)

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