A0A087Y821_POEFO Loading...

Sphingomyelin phosphodiesterase 2

AlphaFold DB , UniProt , Accession A0A087Y821, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 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
1M38.1Very low76.2Confident242 Ų24280.6 Ų80.6100%1.19247%0.471SS*.  0102.10-68.5171.7-17900105.8N3M1-N3 PolarHBondContact O-N 3.31Å
2A43Very low78.1Confident87 Ų8774.1 Ų74.172%0.71943%0.433SS*.  trans-73.3124.2176.100000107.4A4A2-A4 PolarHBondContact O-N 3.06Å; A2-A4 VanDerWaalsContact O-N 3.12Å
3N46.7Very low79.7Confident154 Ų15468.4 Ų68.482%0.82440%0.399SS*.  trans-60.4114.3172.9-89.8-6.6000107.6M1 D5M1-N3 PolarHBondContact O-N 3.31Å; N3-D5 PolarHBondContact O-N 3.01Å
4A59Low81Confident44 Ų4463.5 Ų63.536%0.36437%0.371SS..  trans-71.2119.9163.100000106.7A2 C6A2-A4 PolarHBondContact O-N 3.06Å; A2-A4 VanDerWaalsContact O-N 3.12Å; A4-C6 PolarHBondContact O-N 3.17Å
5D78Confident82.2Confident114 Ų11459.3 Ų59.361%0.6135%0.346SS*.  trans-69.7114.6171.1-73.5-25.3000107.3N3 S283N3-D5 PolarHBondContact O-N 3.01Å; D5-S283 PolarHBondContact O-N 2.92Å; D5-S283 PolarHBondContact O-OG 2.9Å
6C88.4Confident83.2Confident72 Ų7255.6 Ų55.649%0.48633%0.325SS..EExtended strand (participates in β ladder)trans-104126.9-178171.40000109.3A4 R280 L281A4-C6 PolarHBondContact O-N 3.17Å; C6-R280 WeakPolarHBondContact SG-CD 3.39Å; C6-R280 WeakPolarHBondContact SG-CG 3.38Å; C6-L281 CarbonylContact C-O 3.57Å; C6-L281 VanDerWaalsContact CA-O 3.31Å; C6-L281 WeakPolarHBondContact CA-O 3.07Å
7V94.4Very high84Confident42 Ų4254.1 Ų54.126%0.25531%0.312SS..EExtended strand (participates in β ladder)trans-130.8130.3-175.6178.50000109.5V9 I125 A126 L281V7-V9 HydrophobicContact CG1-CG2 4.45Å; V7-I125 HydrophobicContact CG1-CG2 4.42Å; V7-A126 HydrophobicContact CB-CB 4.23Å; V7-A126 HydrophobicContact CG1-CB 3.99Å; V7-A126 HydrophobicContact CG2-CB 3.54Å; V7-L281 HydrophobicContact CB-CB 4.43Å; V7-L281 PolarHBondContact N-O 3.07Å; V7-L281 PolarHBondContact O-N 3.18Å
8S95.5Very high84.6Confident72 Ų7251.2 Ų51.250%0.50330%0.296SS..EExtended strand (participates in β ladder)trans-93.6138.9174.1-175.20000110.4L279S8-L279 CarbonylContact C-O 3.54Å; S8-L279 WeakPolarHBondContact CA-O 3.45Å
9V97.6Very high84.9Confident2 Ų251.2 Ų51.21%0.01229%0.294CS..EExtended strand (participates in β ladder)trans-132.5122.8179.4-1770000108.8V7 V11 D43 I44 I125 L279 L281V7-V9 HydrophobicContact CG1-CG2 4.45Å; V9-V11 HydrophobicContact CG1-CG2 4.16Å; V9-D43 WeakPolarHBondContact CA-OD2 3.41Å; V9-D43 HydrophobicContact CG1-CB 3.99Å; V9-I44 HydrophobicContact CG1-CD1 3.98Å; V9-I125 HydrophobicContact CG1-CD1 4.34Å; V9-I125 HydrophobicContact CG2-CD1 4.43Å; V9-I125 HydrophobicContact CG2-CG2 3.61Å; V9-L279 PolarHBondContact N-O 2.94Å; V9-L279 PolarHBondContact O-N 3.15Å; V9-L281 HydrophobicContact CG2-CD1 3.5Å; V9-L281 HydrophobicContact CG2-CG 4.18Å
10R98.5Very high84.8Confident58 Ų5854.8 Ų54.822%0.21931%0.308CS..EExtended strand (participates in β ladder)trans-94.6117.7174.7-62-177.562.4-148.7-2.4110.1E40 H42 D43 I44 A277 E278R10-E40 PolarHBondContact NH1-O 2.84Å; R10-E40 IonicContact NH2-OE2 2.76Å; R10-E40 PolarHBondContact NH2-OE2 2.95Å; R10-H42 PolarHBondContact NH2-NE2 3.12Å; R10-D43 PolarHBondContact N-OD2 3.48Å; R10-D43 PolarHBondContact O-N 2.93Å; R10-I44 PolarHBondContact O-N 3.49Å; R10-A277 WeakPolarHBondContact CA-O 3.41Å; R10-E278 HydrophobicContact CG-CG 4.11Å; R10-E278 IonicContact NE-OE1 2.74Å
11V98.9Very high84.7Confident0 Ų062.2 Ų62.20%033%0.333CS..EExtended strand (participates in β ladder)trans-108.5130.7178.9-174.10000109.3V9 I44 L46 I174 I240 T276 A277 L279V9-V11 HydrophobicContact CG1-CG2 4.16Å; V11-I44 CarbonylContact C-O 3.58Å; V11-I44 WeakPolarHBondContact CA-O 3.36Å; V11-I44 HydrophobicContact CG1-CB 4.45Å; V11-I44 HydrophobicContact CG1-CG2 4.39Å; V11-I44 HydrophobicContact CG2-CB 4.49Å; V11-I44 HydrophobicContact CG2-CD1 4.37Å; V11-L46 HydrophobicContact CG1-CD1 3.98Å; V11-L46 HydrophobicContact CG1-CG 4.49Å; V11-I174 HydrophobicContact CG1-CG2 3.91Å; V11-I174 HydrophobicContact CG2-CD1 4.06Å; V11-I174 HydrophobicContact CG2-CG2 4.08Å; V11-I240 HydrophobicContact CB-CD1 4.44Å; V11-I240 HydrophobicContact CB-CG2 4.31Å; V11-I240 HydrophobicContact CG1-CD1 4.26Å; V11-I240 HydrophobicContact CG1-CG2 4.06Å; V11-I240 WeakPolarHBondContact O-CD1 3.14Å; V11-T276 CarbonylContact O-C 3.51Å; V11-T276 WeakPolarHBondContact O-CA 3.35Å; V11-A277 PolarHBondContact N-O 3.43Å; V11-A277 PolarHBondContact O-N 2.95Å; V11-L279 HydrophobicContact CG2-CD1 3.81Å; V11-L279 HydrophobicContact CG2-CG 4.38Å
12F98.9Very high87Confident2 Ų256.7 Ų56.71%0.00931%0.307CS..EExtended strand (participates in β ladder)trans-115.2138.9177.4176.2-85.2000110.8L14 M36 L37 H42 I44 V45 L46 L47 A274 L275F12-L14 HydrophobicContact CE1-CB 3.45Å; F12-L14 VanDerWaalsContact CE1-CB 3.45Å; F12-L14 HydrophobicContact CE1-CD2 4.36Å; F12-L14 HydrophobicContact CZ-CB 3.61Å; F12-L14 HydrophobicContact CZ-CD2 4.01Å; F12-L14 HydrophobicContact CZ-CG 4.43Å; F12-M36 HydrophobicContact CD2-CE 4.46Å; F12-M36 HydrophobicContact CE1-CE 4.21Å; F12-M36 HydrophobicContact CE2-CE 3.41Å; F12-M36 VanDerWaalsContact CE2-CE 3.41Å; F12-M36 HydrophobicContact CE2-SD 3.86Å; F12-M36 HydrophobicContact CZ-CE 3.27Å; F12-M36 HydrophobicContact CZ-SD 4.3Å; F12-L37 HydrophobicContact CD1-CD2 3.79Å; F12-L37 HydrophobicContact CD2-CD2 4.32Å; F12-L37 HydrophobicContact CE1-CD2 3.79Å; F12-L37 HydrophobicContact CE2-CD2 4.32Å; F12-L37 HydrophobicContact CG-CD2 4.05Å; F12-L37 HydrophobicContact CZ-CD2 4.08Å; F12-H42 HydrophobicContact CB-CB 3.95Å; F12-H42 AromaticContact CD2-CE1 3.46Å; F12-H42 VanDerWaalsContact CD2-CE1 3.46Å; F12-H42 WeakPolarHBondContact CD2-CE1 3.31Å; F12-H42 AromaticContact CD2-ND1 3.78Å; F12-H42 AromaticContact CD2-NE2 3.98Å; F12-H42 AromaticContact CG-ND1 3.91Å; F12-I44 PolarHBondContact N-O 2.87Å; F12-V45 HydrophobicContact CB-CG2 4.23Å; F12-V45 HydrophobicContact CD1-CB 4.47Å; F12-V45 HydrophobicContact CD1-CG1 3.86Å; F12-V45 HydrophobicContact CD1-CG2 4.5Å; F12-V45 HydrophobicContact CE1-CG1 4.44Å; F12-L46 PolarHBondContact O-N 2.94Å; F12-L47 HydrophobicContact CD1-CD2 4.22Å; F12-L47 HydrophobicContact CE1-CD2 3.79Å; F12-A274 HydrophobicContact CE2-CB 3.5Å; F12-A274 VanDerWaalsContact CE2-CB 3.5Å; F12-A274 HydrophobicContact CZ-CB 3.54Å; F12-L275 CarbonylContact C-O 3.56Å; F12-L275 VanDerWaalsContact CA-O 3.29Å; F12-L275 WeakPolarHBondContact CA-O 3.42Å
13S98.9Very high89.3Confident0 Ų053.2 Ų53.20%028%0.278CS..EExtended strand (participates in β ladder)trans-133.1139.5170.5-166.80000111.8L46 Q48 G177 L275S13-L46 VanDerWaalsContact CA-O 3.25Å; S13-L46 WeakPolarHBondContact CA-O 3.23Å; S13-L46 PolarHBondContact OG-O 3.17Å; S13-Q48 PolarHBondContact OG-NE2 2.87Å; S13-Q48 PolarHBondContact OG-OE1 3.49Å; S13-G177 WeakPolarHBondContact OG-CA 3.38Å; S13-G177 PolarHBondContact OG-N 3.11Å; S13-L275 PolarHBondContact N-O 2.97Å; S13-L275 PolarHBondContact O-N 3.23Å
14L98.8Very high91.5Very high0 Ų051.9 Ų51.90%027%0.265CS..EExtended strand (participates in β ladder)trans-155.5125.4174.3174.661.6000111.8F12 C16 I33 L46 L47 Q48 A274F12-L14 HydrophobicContact CE1-CB 3.45Å; F12-L14 VanDerWaalsContact CE1-CB 3.45Å; F12-L14 HydrophobicContact CE1-CD2 4.36Å; F12-L14 HydrophobicContact CZ-CB 3.61Å; F12-L14 HydrophobicContact CZ-CD2 4.01Å; F12-L14 HydrophobicContact CZ-CG 4.43Å; L14-C16 PolarHBondContact O-N 3.49Å; L14-I33 HydrophobicContact CD2-CD1 4.07Å; L14-I33 HydrophobicContact CD2-CG1 4.05Å; L14-L46 PolarHBondContact N-O 2.89Å; L14-L46 VanDerWaalsContact N-O 3.11Å; L14-L47 HydrophobicContact CB-CD2 4.22Å; L14-L47 WeakPolarHBondContact O-CA 3.49Å; L14-Q48 PolarHBondContact O-N 2.9Å; L14-Q48 PolarHBondContact O-OE1 2.93Å; L14-A274 HydrophobicContact CB-CB 4.17Å; L14-A274 HydrophobicContact CD1-CB 3.95Å; L14-A274 HydrophobicContact CD2-CB 4.36Å; L14-A274 HydrophobicContact CG-CB 4.38Å
15N98.6Very high93.2Very high0 Ų054.7 Ų54.70%027%0.27CS..EExtended strand (participates in β ladder)trans-70.2113.3157.4-178.5-25.2000108.6W17 Q48 E49 D178 S270 H272N15-W17 VanDerWaalsContact C-N 3.34Å; N15-W17 PolarHBondContact OD1-N 3Å; N15-Q48 HydrophobicContact CB-CB 4.25Å; N15-Q48 VanDerWaalsContact N-OE1 3.09Å; N15-E49 PolarHBondContact ND2-OE1 3.41Å; N15-E49 WeakPolarHBondContact OD1-CB 3.44Å; N15-E49 WeakPolarHBondContact OD1-CG 3.48Å; N15-E49 PolarHBondContact OD1-OE1 3.14Å; N15-D178 PolarHBondContact ND2-OD2 3.42Å; N15-S270 WeakPolarHBondContact O-CB 3.29Å; N15-S270 PolarHBondContact O-OG 2.92Å; N15-H272 HydrophobicContact CB-CB 4.03Å; N15-H272 PolarHBondContact ND2-NE2 3.4Å
16C98.1Very high94Very high0 Ų050.6 Ų50.60%025%0.25CC..  trans-84.5-6-171.9-67.60000114L14 G18 R29 I33 Q48 V50 S270L14-C16 PolarHBondContact O-N 3.49Å; C16-G18 VanDerWaalsContact C-N 3.31Å; C16-G18 PolarHBondContact O-N 2.95Å; C16-R29 PolarHBondContact O-NH1 3.05Å; C16-I33 HydrophobicContact CB-CD1 4.34Å; C16-Q48 WeakPolarHBondContact CB-O 3.44Å; C16-Q48 PolarHBondContact N-O 3.31Å; C16-V50 HydrophobicContact CB-CG2 4.36Å; C16-S270 PolarHBondContact O-OG 2.87Å
17W96.6Very high94.3Very high30 Ų3051.1 Ų51.111%0.11425%0.254CS..  trans46.953.9-177.7-166.358.1000112N15 I19 S23 K24 R29 F222 S270 D271N15-W17 VanDerWaalsContact C-N 3.34Å; N15-W17 PolarHBondContact OD1-N 3Å; W17-I19 VanDerWaalsContact C-N 3.26Å; W17-I19 PolarHBondContact O-N 3.02Å; W17-S23 WeakPolarHBondContact O-CB 3.44Å; W17-S23 PolarHBondContact O-OG 2.94Å; W17-K24 HydrophobicContact CH2-CB 4.25Å; W17-K24 HydrophobicContact CH2-CG 4.25Å; W17-K24 HydrophobicContact CZ3-CB 4.18Å; W17-K24 VanDerWaalsContact CZ3-N 3.32Å; W17-R29 PolarHBondContact O-NH2 3.3Å; W17-F222 HydrophobicContact CE3-CB 4.37Å; W17-F222 HydrophobicContact CE3-CD2 4.03Å; W17-F222 HydrophobicContact CE3-CG 4.16Å; W17-F222 HydrophobicContact CH2-CB 3.81Å; W17-F222 AromaticContact CH2-CD1 3.98Å; W17-F222 HydrophobicContact CH2-CD1 3.98Å; W17-F222 AromaticContact CH2-CG 3.87Å; W17-F222 HydrophobicContact CH2-CG 3.87Å; W17-F222 HydrophobicContact CZ2-CB 4.43Å; W17-F222 HydrophobicContact CZ3-CB 3.77Å; W17-F222 AromaticContact CZ3-CD1 3.7Å; W17-F222 HydrophobicContact CZ3-CD1 3.7Å; W17-F222 AromaticContact CZ3-CD2 3.69Å; W17-F222 HydrophobicContact CZ3-CD2 3.69Å; W17-F222 HydrophobicContact CZ3-CE1 4.19Å; W17-F222 HydrophobicContact CZ3-CE2 4.17Å; W17-F222 AromaticContact CZ3-CG 3.43Å; W17-F222 HydrophobicContact CZ3-CG 3.43Å; W17-F222 VanDerWaalsContact CZ3-CG 3.43Å; W17-F222 HydrophobicContact CZ3-CZ 4.41Å; W17-S270 WeakPolarHBondContact CB-OG 3.19Å; W17-S270 PolarHBondContact N-OG 3.01Å; W17-D271 WeakPolarHBondContact CB-OD1 3.42Å; W17-D271 VanDerWaalsContact CD1-CG 3.48Å; W17-D271 HydrophobicContact CD2-CB 4.14Å; W17-D271 HydrophobicContact CE3-CB 4.39Å; W17-D271 HydrophobicContact CG-CB 4.31Å; W17-D271 VanDerWaalsContact CG-CG 3.46Å; W17-D271 PolarHBondContact NE1-OD2 2.95Å
18G94.8Very high94.4Very high2 Ų252.8 Ų52.82%0.02126%0.259CS..  trans-90.627-175.400000113.3C16 H20 E49C16-G18 VanDerWaalsContact C-N 3.31Å; C16-G18 PolarHBondContact O-N 2.95Å; G18-H20 PolarHBondContact O-N 2.77Å; G18-E49 WeakPolarHBondContact CA-O 3.36Å; G18-E49 PolarHBondContact N-O 2.99Å
19I90.1Very high94.4Very high52 Ų5249.3 Ų49.327%0.26724%0.235SC..  trans-69119.3-171-48.7174000109W17 Y21 L22 S23 E49W17-I19 VanDerWaalsContact C-N 3.26Å; W17-I19 PolarHBondContact O-N 3.02Å; I19-Y21 PolarHBondContact O-N 3.39Å; I19-L22 HydrophobicContact CB-CB 4.15Å; I19-L22 HydrophobicContact CG2-CB 3.98Å; I19-L22 HydrophobicContact CG2-CD1 3.81Å; I19-L22 HydrophobicContact CG2-CG 4.34Å; I19-L22 PolarHBondContact O-N 3.26Å; I19-S23 WeakPolarHBondContact CB-OG 3.37Å; I19-S23 PolarHBondContact N-OG 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.33Å; I19-S23 PolarHBondContact O-N 3.17Å; I19-S23 PolarHBondContact O-OG 3.17Å; I19-E49 WeakPolarHBondContact CD1-OE2 3.43Å; I19-E49 WeakPolarHBondContact CG1-OE2 3.44Å
20H82.7Confident94.4Very high122 Ų12249.3 Ų49.357%0.56524%0.235SC*.THydrogen-bonded Turntrans-61.2135.8-177.2-161.451.2000110.8G18 L22G18-H20 PolarHBondContact O-N 2.77Å; H20-L22 PolarHBondContact O-N 3.23Å
21Y82.7Confident94.3Very high212 Ų21251.1 Ų51.183%0.83125%0.246SC*.THydrogen-bonded Turntrans65-20-175.1-50-59.9000117.8I19I19-Y21 PolarHBondContact O-N 3.39Å
22L87.7Confident94.3Very high126 Ų12651.4 Ų51.466%0.6625%0.247SC*.THydrogen-bonded Turntrans-94.9-43.7179-73.5170.6000112.3I19 H20 K24I19-L22 HydrophobicContact CB-CB 4.15Å; I19-L22 HydrophobicContact CG2-CB 3.98Å; I19-L22 HydrophobicContact CG2-CD1 3.81Å; I19-L22 HydrophobicContact CG2-CG 4.34Å; I19-L22 PolarHBondContact O-N 3.26Å; H20-L22 PolarHBondContact O-N 3.23Å; L22-K24 PolarHBondContact O-N 3.37Å
23S91.4Very high94.2Very high13 Ų1351.3 Ų51.39%0.09125%0.247CC..SBendtrans-76.6127.5-174.4-57.90000112W17 I19W17-S23 WeakPolarHBondContact O-CB 3.44Å; W17-S23 PolarHBondContact O-OG 2.94Å; I19-S23 WeakPolarHBondContact CB-OG 3.37Å; I19-S23 PolarHBondContact N-OG 3.23Å; I19-S23 WeakPolarHBondContact O-CB 3.33Å; I19-S23 PolarHBondContact O-N 3.17Å; I19-S23 PolarHBondContact O-OG 3.17Å
24K93Very high94.2Very high127 Ų12751.3 Ų51.355%0.55225%0.247SC*.THydrogen-bonded Turntrans-77.7147.1-176.6-62176-175.9167.90111W17 L22 C26 R29 F222W17-K24 HydrophobicContact CH2-CB 4.25Å; W17-K24 HydrophobicContact CH2-CG 4.25Å; W17-K24 HydrophobicContact CZ3-CB 4.18Å; W17-K24 VanDerWaalsContact CZ3-N 3.32Å; L22-K24 PolarHBondContact O-N 3.37Å; K24-C26 PolarHBondContact O-N 3.14Å; K24-R29 PolarHBondContact O-NE 2.89Å; K24-F222 HydrophobicContact CB-CD1 4.42Å; K24-F222 HydrophobicContact CB-CE1 4.01Å; K24-F222 HydrophobicContact CD-CD1 4.4Å; K24-F222 HydrophobicContact CD-CE1 4.48Å
25H94.5Very high94.1Very high103 Ų10355.6 Ų55.648%0.47727%0.267SS..THydrogen-bonded Turntrans52.130.4174.4-54-77.4000115S27 Q28 R29 L267H25-S27 PolarHBondContact O-N 2.88Å; H25-Q28 HydrophobicContact CB-CB 4.5Å; H25-Q28 PolarHBondContact O-N 3.4Å; H25-R29 PolarHBondContact O-N 2.97Å; H25-L267 HydrophobicContact CB-CD1 3.57Å
26C94.8Very high93.9Very high27 Ų2756.5 Ų56.518%0.18227%0.272CS..Hα-helixtrans-49.3-55-170.8-167.70000113K24 Q28 R29 Y30K24-C26 PolarHBondContact O-N 3.14Å; C26-Q28 VanDerWaalsContact C-N 3.32Å; C26-Q28 PolarHBondContact O-N 3.43Å; C26-R29 PolarHBondContact O-N 3.19Å; C26-R29 VanDerWaalsContact O-N 3.14Å; C26-Y30 WeakPolarHBondContact O-CD2 3.48Å; C26-Y30 PolarHBondContact O-N 2.91Å; C26-Y30 VanDerWaalsContact SG-CD2 3.59Å; C26-Y30 VanDerWaalsContact SG-CE2 3.53Å
27S94.5Very high93.9Very high84 Ų8456.5 Ų56.559%0.58727%0.272SS*.Hα-helixtrans-57-41.2-179.9-51.10000113.7H25 Q31H25-S27 PolarHBondContact O-N 2.88Å; S27-Q31 WeakPolarHBondContact O-CG 3.33Å; S27-Q31 PolarHBondContact O-N 2.89Å; S27-Q31 VanDerWaalsContact O-N 3.13Å
28Q95.6Very high94Very high76 Ų7656.5 Ų56.536%0.35528%0.276SS..Hα-helixtrans-68.9-41.5179.6-175.8179.2-0.500110.9H25 C26 Q31 M32 L267H25-Q28 HydrophobicContact CB-CB 4.5Å; H25-Q28 PolarHBondContact O-N 3.4Å; C26-Q28 VanDerWaalsContact C-N 3.32Å; C26-Q28 PolarHBondContact O-N 3.43Å; Q28-Q31 WeakPolarHBondContact O-CB 3.41Å; Q28-Q31 PolarHBondContact O-N 3.14Å; Q28-M32 HydrophobicContact CG-SD 4.35Å; Q28-M32 WeakPolarHBondContact O-CG 3.49Å; Q28-M32 PolarHBondContact O-N 3.47Å; Q28-L267 HydrophobicContact CG-CD1 4.44Å
29R96.6Very high94Very high0 Ų064.2 Ų64.20%031%0.309CS..Hα-helixtrans-65.7-42.2176.9-69-172.2-54.698.9-1112.1C16 W17 K24 H25 C26 Q31 M32 I33 Y269C16-R29 PolarHBondContact O-NH1 3.05Å; W17-R29 PolarHBondContact O-NH2 3.3Å; K24-R29 PolarHBondContact O-NE 2.89Å; H25-R29 PolarHBondContact O-N 2.97Å; C26-R29 PolarHBondContact O-N 3.19Å; C26-R29 VanDerWaalsContact O-N 3.14Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.86Å; R29-M32 CarbonylContact O-C 3.51Å; R29-M32 WeakPolarHBondContact O-CB 3.32Å; R29-M32 PolarHBondContact O-N 3.14Å; R29-M32 VanDerWaalsContact O-N 3.13Å; R29-I33 WeakPolarHBondContact O-CB 3.37Å; R29-I33 VanDerWaalsContact O-CG1 3.27Å; R29-I33 WeakPolarHBondContact O-CG1 3.14Å; R29-I33 PolarHBondContact O-N 3.24Å; R29-Y269 WeakPolarHBondContact CB-O 3.42Å; R29-Y269 WeakPolarHBondContact CD-O 3.35Å; R29-Y269 PolarHBondContact NH1-O 3.03Å
30Y97.5Very high94.2Very high1 Ų165.1 Ų65.10%0.00431%0.312CS..Hα-helixtrans-62.6-34.1174.5-89.8-88.6000112.7C26 G34 E49 V50 D55 L59C26-Y30 WeakPolarHBondContact O-CD2 3.48Å; C26-Y30 PolarHBondContact O-N 2.91Å; C26-Y30 VanDerWaalsContact SG-CD2 3.59Å; C26-Y30 VanDerWaalsContact SG-CE2 3.53Å; Y30-G34 PolarHBondContact O-N 2.86Å; Y30-E49 PolarHBondContact OH-O 3.34Å; Y30-V50 HydrophobicContact CE1-CG1 4.25Å; Y30-V50 WeakPolarHBondContact OH-CA 3.16Å; Y30-D55 HydrophobicContact CD1-CB 3.86Å; Y30-D55 HydrophobicContact CD2-CB 4.29Å; Y30-D55 HydrophobicContact CE1-CB 3.69Å; Y30-D55 HydrophobicContact CE2-CB 4.15Å; Y30-D55 HydrophobicContact CG-CB 4.16Å; Y30-L59 HydrophobicContact CD1-CD1 3.75Å; Y30-L59 HydrophobicContact CD1-CD2 4.28Å; Y30-L59 HydrophobicContact CD1-CG 3.93Å; Y30-L59 HydrophobicContact CE1-CD1 3.73Å; Y30-L59 HydrophobicContact CE1-CG 4.37Å
31Q96.8Very high94.8Very high97 Ų9763.9 Ų63.945%0.45331%0.306SS..Hα-helixtrans-61.5-49.5170.3-72.6172.5-3.700111.5S27 Q28 R29 G34 E35 Y58S27-Q31 WeakPolarHBondContact O-CG 3.33Å; S27-Q31 PolarHBondContact O-N 2.89Å; S27-Q31 VanDerWaalsContact O-N 3.13Å; Q28-Q31 WeakPolarHBondContact O-CB 3.41Å; Q28-Q31 PolarHBondContact O-N 3.14Å; R29-Q31 VanDerWaalsContact C-N 3.28Å; R29-Q31 PolarHBondContact O-N 2.86Å; Q31-G34 PolarHBondContact O-N 2.62Å; Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 3.16Å; Q31-Y58 WeakPolarHBondContact CG-OH 3.35Å
32M97.3Very high95.5Very high6 Ų653.9 Ų53.93%0.0327%0.267CS..Hα-helixtrans-61-44.4177.9-67.3170.554.700112.3Q28 R29 G34 E35 M36 V262 H265 L267 Y269Q28-M32 HydrophobicContact CG-SD 4.35Å; Q28-M32 WeakPolarHBondContact O-CG 3.49Å; Q28-M32 PolarHBondContact O-N 3.47Å; R29-M32 CarbonylContact O-C 3.51Å; R29-M32 WeakPolarHBondContact O-CB 3.32Å; R29-M32 PolarHBondContact O-N 3.14Å; R29-M32 VanDerWaalsContact O-N 3.13Å; M32-G34 PolarHBondContact O-N 3.32Å; M32-E35 PolarHBondContact O-N 3.21Å; M32-M36 WeakPolarHBondContact O-CB 3.35Å; M32-M36 PolarHBondContact O-N 3.37Å; M32-V262 HydrophobicContact CE-CB 4.27Å; M32-V262 HydrophobicContact CE-CG1 4.26Å; M32-V262 HydrophobicContact CE-CG2 4.31Å; M32-H265 HydrophobicContact CE-CB 3.47Å; M32-H265 VanDerWaalsContact CE-CB 3.47Å; M32-H265 HydrophobicContact SD-CB 4.24Å; M32-L267 VanDerWaalsContact CE-O 3.32Å; M32-L267 WeakPolarHBondContact CE-O 3.46Å; M32-Y269 HydrophobicContact CB-CD1 3.84Å; M32-Y269 HydrophobicContact CB-CE1 3.84Å; M32-Y269 HydrophobicContact CE-CD1 4.2Å; M32-Y269 HydrophobicContact CE-CE1 4.24Å
33I97.8Very high96Very high0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-59.1-48.2175.5-69.7163.9000109.8L14 C16 R29 E35 M36 L37 L59 Y269L14-I33 HydrophobicContact CD2-CD1 4.07Å; L14-I33 HydrophobicContact CD2-CG1 4.05Å; C16-I33 HydrophobicContact CB-CD1 4.34Å; R29-I33 WeakPolarHBondContact O-CB 3.37Å; R29-I33 VanDerWaalsContact O-CG1 3.27Å; R29-I33 WeakPolarHBondContact O-CG1 3.14Å; R29-I33 PolarHBondContact O-N 3.24Å; I33-E35 VanDerWaalsContact C-N 3.33Å; I33-E35 PolarHBondContact O-N 3.47Å; I33-M36 PolarHBondContact O-N 3.15Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.29Å; I33-L37 WeakPolarHBondContact O-CB 3.41Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 2.98Å; I33-L59 HydrophobicContact CG2-CD2 4.39Å; I33-Y269 HydrophobicContact CG1-CD1 4.05Å; I33-Y269 HydrophobicContact CG1-CG 4.43Å
34G97.9Very high96.4Very high0 Ų048.4 Ų48.40%024%0.237CC..Hα-helixtrans-62-37.8178.300000113.5Y30 Q31 M32 C38Y30-G34 PolarHBondContact O-N 2.86Å; Q31-G34 PolarHBondContact O-N 2.62Å; M32-G34 PolarHBondContact O-N 3.32Å; G34-C38 WeakPolarHBondContact O-CB 3.28Å; G34-C38 PolarHBondContact O-N 2.93Å; G34-C38 PolarHBondContact O-SG 3.32Å; G34-C38 VanDerWaalsContact O-SG 3.39Å
35E96.5Very high96.7Very high90 Ų9042.3 Ų42.342%0.42121%0.211SC..Hα-helixtrans-67.1-45.6175.3-74.1171.6-179.800112.5Q31 M32 I33 C38 K39Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 3.16Å; M32-E35 PolarHBondContact O-N 3.21Å; I33-E35 VanDerWaalsContact C-N 3.33Å; I33-E35 PolarHBondContact O-N 3.47Å; E35-C38 PolarHBondContact O-N 3Å; E35-K39 WeakPolarHBondContact O-CB 3.39Å; E35-K39 PolarHBondContact O-N 3.44Å
36M96.3Very high96.9Very high19 Ų1937.4 Ų37.49%0.09419%0.188CC..Hα-helixtrans-60.2-48.3175.9175.3-79.1-67.400111F12 M32 I33 C38 K39 E40 Y269F12-M36 HydrophobicContact CD2-CE 4.46Å; F12-M36 HydrophobicContact CE1-CE 4.21Å; F12-M36 HydrophobicContact CE2-CE 3.41Å; F12-M36 VanDerWaalsContact CE2-CE 3.41Å; F12-M36 HydrophobicContact CE2-SD 3.86Å; F12-M36 HydrophobicContact CZ-CE 3.27Å; F12-M36 HydrophobicContact CZ-SD 4.3Å; M32-M36 WeakPolarHBondContact O-CB 3.35Å; M32-M36 PolarHBondContact O-N 3.37Å; I33-M36 PolarHBondContact O-N 3.15Å; M36-C38 VanDerWaalsContact C-N 3.34Å; M36-C38 PolarHBondContact O-N 3.3Å; M36-K39 PolarHBondContact O-N 3.29Å; M36-K39 VanDerWaalsContact O-N 3.11Å; M36-E40 HydrophobicContact CG-CG 4.3Å; M36-E40 WeakPolarHBondContact O-CB 3.48Å; M36-E40 WeakPolarHBondContact O-CG 3.08Å; M36-E40 PolarHBondContact O-N 2.96Å; M36-E40 HydrophobicContact SD-CG 4.09Å; M36-Y269 HydrophobicContact CB-CE1 3.82Å; M36-Y269 HydrophobicContact CG-CE1 4.32Å; M36-Y269 HydrophobicContact CG-CE2 4.32Å
37L97.8Very high97.1Very high0 Ų036.1 Ų36.10%018%0.18CC..Hα-helixtrans-63.3-38.5178.9-70.5176.4000112.3F12 I33 K39 Q41 V45 L63 H67F12-L37 HydrophobicContact CD1-CD2 3.79Å; F12-L37 HydrophobicContact CD2-CD2 4.32Å; F12-L37 HydrophobicContact CE1-CD2 3.79Å; F12-L37 HydrophobicContact CE2-CD2 4.32Å; F12-L37 HydrophobicContact CG-CD2 4.05Å; F12-L37 HydrophobicContact CZ-CD2 4.08Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.29Å; I33-L37 WeakPolarHBondContact O-CB 3.41Å; I33-L37 VanDerWaalsContact O-CG 3.26Å; I33-L37 WeakPolarHBondContact O-CG 3.43Å; I33-L37 PolarHBondContact O-N 2.98Å; L37-K39 VanDerWaalsContact C-N 3.34Å; L37-Q41 PolarHBondContact O-N 2.78Å; L37-V45 HydrophobicContact CD1-CG1 3.94Å; L37-V45 HydrophobicContact CD2-CG1 3.91Å; L37-V45 HydrophobicContact CD2-CG2 3.83Å; L37-L63 HydrophobicContact CB-CD1 4.36Å; L37-L63 HydrophobicContact CB-CD2 3.58Å; L37-L63 HydrophobicContact CD1-CD1 3.9Å; L37-H67 PolarHBondContact O-CE1 3.49Å
38C96.9Very high97.3Very high30 Ų3032.1 Ų32.120%0.20315%0.152CC..Hα-helixtrans-63.4-37.9173.1-83.10000113G34 E35 M36 Q41 K62G34-C38 WeakPolarHBondContact O-CB 3.28Å; G34-C38 PolarHBondContact O-N 2.93Å; G34-C38 PolarHBondContact O-SG 3.32Å; G34-C38 VanDerWaalsContact O-SG 3.39Å; E35-C38 PolarHBondContact O-N 3Å; M36-C38 VanDerWaalsContact C-N 3.34Å; M36-C38 PolarHBondContact O-N 3.3Å; C38-Q41 WeakPolarHBondContact O-CG 3.49Å; C38-K62 PolarHBondContact SG-O 3.27Å; C38-K62 VanDerWaalsContact SG-O 3.36Å
39K95.6Very high97.3Very high164 Ų16429.3 Ų29.371%0.71314%0.139SC*.Hα-helixtrans-74.4-48.9-178.3-178.3-174.3173.3-167.50111.4E35 M36 L37E35-K39 WeakPolarHBondContact O-CB 3.39Å; E35-K39 PolarHBondContact O-N 3.44Å; M36-K39 PolarHBondContact O-N 3.29Å; M36-K39 VanDerWaalsContact O-N 3.11Å; L37-K39 VanDerWaalsContact C-N 3.34Å
40E95.1Very high97.4Very high71 Ų7129.3 Ų29.333%0.33214%0.139SC..Hα-helixtrans-74.2-30.4-174.5-68.5-58.4139.600112.5R10 M36 H42R10-E40 PolarHBondContact NH1-O 2.84Å; R10-E40 IonicContact NH2-OE2 2.76Å; R10-E40 PolarHBondContact NH2-OE2 2.95Å; M36-E40 HydrophobicContact CG-CG 4.3Å; M36-E40 WeakPolarHBondContact O-CB 3.48Å; M36-E40 WeakPolarHBondContact O-CG 3.08Å; M36-E40 PolarHBondContact O-N 2.96Å; M36-E40 HydrophobicContact SD-CG 4.09Å; E40-H42 WeakPolarHBondContact CB-CE1 3.29Å; E40-H42 PolarHBondContact O-N 3.38Å
41Q94.1Very high97.2Very high95 Ų9530.7 Ų30.744%0.44414%0.144SC..  trans49.956.6177.4-58.2-174.76100112.6L37 C38 T66 K87L37-Q41 PolarHBondContact O-N 2.78Å; C38-Q41 WeakPolarHBondContact O-CG 3.49Å; Q41-T66 HydrophobicContact CG-CG2 3.98Å; Q41-K87 WeakPolarHBondContact O-CE 3.39Å; Q41-K87 PolarHBondContact O-NZ 2.82Å
42H98.3Very high97Very high2 Ų227.4 Ų27.41%0.00913%0.131CC..  trans-61.1155.1170.7-57.3101.6000110.8R10 F12 E40 V45 H67 K87 T276R10-H42 PolarHBondContact NH2-NE2 3.12Å; F12-H42 HydrophobicContact CB-CB 3.95Å; F12-H42 AromaticContact CD2-CE1 3.46Å; F12-H42 VanDerWaalsContact CD2-CE1 3.46Å; F12-H42 WeakPolarHBondContact CD2-CE1 3.31Å; F12-H42 AromaticContact CD2-ND1 3.78Å; F12-H42 AromaticContact CD2-NE2 3.98Å; F12-H42 AromaticContact CG-ND1 3.91Å; E40-H42 WeakPolarHBondContact CB-CE1 3.29Å; E40-H42 PolarHBondContact O-N 3.38Å; H42-V45 HydrophobicContact CB-CG2 4.01Å; H42-H67 PolarHBondContact O-CD2 3.1Å; H42-H67 PolarHBondContact O-NE2 2.94Å; H42-K87 VanDerWaalsContact O-CE 3.23Å; H42-K87 WeakPolarHBondContact O-CE 3.27Å; H42-T276 WeakPolarHBondContact NE2-CG2 3.45Å; H42-T276 PolarHBondContact NE2-OG1 2.85Å
43D98.4Very high96.9Very high24 Ų2431.5 Ų31.513%0.12815%0.15CC..SBendtrans-79.3-32.5179.1-58.2-57.7000111.2V9 R10 A86 K87V9-D43 WeakPolarHBondContact CA-OD2 3.41Å; V9-D43 HydrophobicContact CG1-CB 3.99Å; R10-D43 PolarHBondContact N-OD2 3.48Å; R10-D43 PolarHBondContact O-N 2.93Å; D43-A86 WeakPolarHBondContact O-CA 3.27Å; D43-K87 PolarHBondContact O-N 2.9Å; D43-K87 VanDerWaalsContact OD1-CD 3.3Å; D43-K87 WeakPolarHBondContact OD1-CD 3.21Å; D43-K87 WeakPolarHBondContact OD1-CE 3.33Å; D43-K87 IonicContact OD1-NZ 3.27Å; D43-K87 PolarHBondContact OD1-NZ 3.48Å
44I98.8Very high96.7Very high0 Ų039.3 Ų39.30%018%0.184CC..EExtended strand (participates in β ladder)trans-136.4132.6179.9-59.6166.9000108.8V9 R10 V11 F12 L46 L123 I125 V132 I174V9-I44 HydrophobicContact CG1-CD1 3.98Å; R10-I44 PolarHBondContact O-N 3.49Å; V11-I44 CarbonylContact C-O 3.58Å; V11-I44 WeakPolarHBondContact CA-O 3.36Å; V11-I44 HydrophobicContact CG1-CB 4.45Å; V11-I44 HydrophobicContact CG1-CG2 4.39Å; V11-I44 HydrophobicContact CG2-CB 4.49Å; V11-I44 HydrophobicContact CG2-CD1 4.37Å; F12-I44 PolarHBondContact N-O 2.87Å; I44-L46 HydrophobicContact CG2-CD1 4.49Å; I44-L46 HydrophobicContact CG2-CD2 3.62Å; I44-L46 HydrophobicContact CG2-CG 3.99Å; I44-L123 HydrophobicContact CD1-CD1 3.89Å; I44-L123 HydrophobicContact CG1-CD1 3.87Å; I44-I125 HydrophobicContact CD1-CD1 3.89Å; I44-V132 HydrophobicContact CD1-CG2 3.95Å; I44-V132 HydrophobicContact CG2-CG1 3.79Å; I44-I174 HydrophobicContact CD1-CD1 4Å
45V98.9Very high96.7Very high0 Ų040.4 Ų40.40%019%0.19CC..EExtended strand (participates in β ladder)trans-127.1121.9179.8171.10000108.6F12 L37 H42 L47 H67 I84 F85F12-V45 HydrophobicContact CB-CG2 4.23Å; F12-V45 HydrophobicContact CD1-CB 4.47Å; F12-V45 HydrophobicContact CD1-CG1 3.86Å; F12-V45 HydrophobicContact CD1-CG2 4.5Å; F12-V45 HydrophobicContact CE1-CG1 4.44Å; L37-V45 HydrophobicContact CD1-CG1 3.94Å; L37-V45 HydrophobicContact CD2-CG1 3.91Å; L37-V45 HydrophobicContact CD2-CG2 3.83Å; H42-V45 HydrophobicContact CB-CG2 4.01Å; V45-L47 HydrophobicContact CG1-CD1 4.31Å; V45-L47 HydrophobicContact CG1-CD2 3.66Å; V45-L47 HydrophobicContact CG1-CG 3.85Å; V45-H67 WeakPolarHBondContact CG2-NE2 3.28Å; V45-I84 WeakPolarHBondContact O-CA 3.4Å; V45-F85 HydrophobicContact CB-CB 4.04Å; V45-F85 HydrophobicContact CG1-CB 4.41Å; V45-F85 HydrophobicContact CG1-CD2 4.33Å; V45-F85 PolarHBondContact N-O 2.8Å; V45-F85 PolarHBondContact O-N 2.93Å
46L98.9Very high96.7Very high0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-117.8107.2-174.3-52.1178.8000108.9V11 F12 S13 L14 I44 Q48 I84 V132 V134V11-L46 HydrophobicContact CG1-CD1 3.98Å; V11-L46 HydrophobicContact CG1-CG 4.49Å; F12-L46 PolarHBondContact O-N 2.94Å; S13-L46 VanDerWaalsContact CA-O 3.25Å; S13-L46 WeakPolarHBondContact CA-O 3.23Å; S13-L46 PolarHBondContact OG-O 3.17Å; L14-L46 PolarHBondContact N-O 2.89Å; L14-L46 VanDerWaalsContact N-O 3.11Å; I44-L46 HydrophobicContact CG2-CD1 4.49Å; I44-L46 HydrophobicContact CG2-CD2 3.62Å; I44-L46 HydrophobicContact CG2-CG 3.99Å; L46-Q48 PolarHBondContact O-NE2 2.81Å; L46-Q48 VanDerWaalsContact O-NE2 3.09Å; L46-I84 HydrophobicContact CD2-CD1 4.11Å; L46-I84 HydrophobicContact CD2-CG1 3.74Å; L46-I84 HydrophobicContact CD2-CG2 4.35Å; L46-V132 HydrophobicContact CD1-CG1 4.25Å; L46-V132 HydrophobicContact CD2-CG1 3.58Å; L46-V134 HydrophobicContact CB-CB 4.3Å; L46-V134 HydrophobicContact CB-CG2 3.98Å; L46-V134 HydrophobicContact CD2-CB 4.32Å
47L98.9Very high96.8Very high0 Ų039.7 Ų39.70%019%0.189CC..EExtended strand (participates in β ladder)trans-109.5139.3-175.1-53.4-177.4000111.2F12 L14 V45 V50 L59 L82 A83 F85F12-L47 HydrophobicContact CD1-CD2 4.22Å; F12-L47 HydrophobicContact CE1-CD2 3.79Å; L14-L47 HydrophobicContact CB-CD2 4.22Å; L14-L47 WeakPolarHBondContact O-CA 3.49Å; V45-L47 HydrophobicContact CG1-CD1 4.31Å; V45-L47 HydrophobicContact CG1-CD2 3.66Å; V45-L47 HydrophobicContact CG1-CG 3.85Å; L47-V50 HydrophobicContact CB-CG2 3.66Å; L47-V50 HydrophobicContact CD1-CG2 4.19Å; L47-L59 HydrophobicContact CD1-CD1 3.7Å; L47-L82 WeakPolarHBondContact O-CA 3.39Å; L47-A83 HydrophobicContact CB-CB 4.36Å; L47-A83 PolarHBondContact N-O 3.32Å; L47-A83 PolarHBondContact O-N 2.82Å; L47-F85 HydrophobicContact CD1-CD2 4.12Å; L47-F85 HydrophobicContact CD1-CE2 3.84Å
48Q98.6Very high96.8Very high0 Ų043.4 Ų43.40%020%0.203CC..EExtended strand (participates in β ladder)trans-113.6162170.8-52.174.851.900109.4S13 L14 N15 C16 L46 V50 G81 L82 V134 T135 H136 G177 D178S13-Q48 PolarHBondContact OG-NE2 2.87Å; S13-Q48 PolarHBondContact OG-OE1 3.49Å; L14-Q48 PolarHBondContact O-N 2.9Å; L14-Q48 PolarHBondContact O-OE1 2.93Å; N15-Q48 HydrophobicContact CB-CB 4.25Å; N15-Q48 VanDerWaalsContact N-OE1 3.09Å; C16-Q48 WeakPolarHBondContact CB-O 3.44Å; C16-Q48 PolarHBondContact N-O 3.31Å; L46-Q48 PolarHBondContact O-NE2 2.81Å; L46-Q48 VanDerWaalsContact O-NE2 3.09Å; Q48-V50 PolarHBondContact O-N 3.02Å; Q48-G81 CarbonylContact C-O 3.58Å; Q48-G81 WeakPolarHBondContact CA-O 3.36Å; Q48-L82 HydrophobicContact CB-CD2 4.36Å; Q48-L82 HydrophobicContact CG-CD2 4.07Å; Q48-V134 HydrophobicContact CG-CG2 4.4Å; Q48-V134 VanDerWaalsContact NE2-CG2 3.32Å; Q48-T135 WeakPolarHBondContact CG-O 3.31Å; Q48-H136 HydrophobicContact CB-CB 4.21Å; Q48-H136 HydrophobicContact CG-CB 4.1Å; Q48-G177 VanDerWaalsContact CD-CA 3.4Å; Q48-G177 VanDerWaalsContact NE2-CA 3.34Å; Q48-D178 HydrophobicContact CG-CB 4.42Å
49E97.3Very high96.9Very high17 Ų1742 Ų428%0.07919%0.194CC..  trans5628.8-179.4-64.1-152.4-156.500116.2N15 G18 I19 Y30 W51 G81 H136N15-E49 PolarHBondContact ND2-OE1 3.41Å; N15-E49 WeakPolarHBondContact OD1-CB 3.44Å; N15-E49 WeakPolarHBondContact OD1-CG 3.48Å; N15-E49 PolarHBondContact OD1-OE1 3.14Å; G18-E49 WeakPolarHBondContact CA-O 3.36Å; G18-E49 PolarHBondContact N-O 2.99Å; I19-E49 WeakPolarHBondContact CD1-OE2 3.43Å; I19-E49 WeakPolarHBondContact CG1-OE2 3.44Å; Y30-E49 PolarHBondContact OH-O 3.34Å; E49-W51 HydrophobicContact CB-CZ2 4.45Å; E49-W51 VanDerWaalsContact CB-NE1 3.34Å; E49-W51 HydrophobicContact CG-CZ2 3.82Å; E49-W51 VanDerWaalsContact O-CD1 3.25Å; E49-W51 PolarHBondContact O-N 3.4Å; E49-W51 PolarHBondContact OE2-NE1 3Å; E49-G81 PolarHBondContact N-O 2.93Å; E49-H136 VanDerWaalsContact CG-CE1 3.43Å; E49-H136 WeakPolarHBondContact CG-CE1 3.39Å; E49-H136 IonicContact OE1-CE1 3.24Å; E49-H136 PolarHBondContact OE1-CE1 3.27Å; E49-H136 VanDerWaalsContact OE1-CE1 3.26Å
50V97.3Very high97Very high0 Ų038.7 Ų38.70%018%0.179CC..  trans-81.166.9165-168.30000109C16 Y30 L47 Q48 S52 F56 Y72 G81 A83C16-V50 HydrophobicContact CB-CG2 4.36Å; Y30-V50 HydrophobicContact CE1-CG1 4.25Å; Y30-V50 WeakPolarHBondContact OH-CA 3.16Å; L47-V50 HydrophobicContact CB-CG2 3.66Å; L47-V50 HydrophobicContact CD1-CG2 4.19Å; Q48-V50 PolarHBondContact O-N 3.02Å; V50-S52 VanDerWaalsContact C-N 3.27Å; V50-S52 PolarHBondContact O-N 2.83Å; V50-F56 HydrophobicContact CG1-CB 3.86Å; V50-Y72 HydrophobicContact CB-CE2 4.35Å; V50-Y72 HydrophobicContact CG1-CE2 4.29Å; V50-Y72 WeakPolarHBondContact O-CE2 3.46Å; V50-Y72 PolarHBondContact O-OH 3.23Å; V50-G81 PolarHBondContact N-O 3.42Å; V50-A83 HydrophobicContact CG2-CB 4.4Å
51W94.4Very high97.2Very high30 Ų3040.9 Ų40.911%0.11420%0.197CC..  trans-70.2-23.7-173.1-57.9109.2000113.5E49 Y72 I78 G79 S80E49-W51 HydrophobicContact CB-CZ2 4.45Å; E49-W51 VanDerWaalsContact CB-NE1 3.34Å; E49-W51 HydrophobicContact CG-CZ2 3.82Å; E49-W51 VanDerWaalsContact O-CD1 3.25Å; E49-W51 PolarHBondContact O-N 3.4Å; E49-W51 PolarHBondContact OE2-NE1 3Å; W51-Y72 PolarHBondContact O-OH 2.94Å; W51-I78 HydrophobicContact CE3-CD1 4.17Å; W51-I78 HydrophobicContact CE3-CG1 4.12Å; W51-I78 HydrophobicContact CZ3-CD1 4.5Å; W51-I78 HydrophobicContact CZ3-CG1 4.45Å; W51-G79 WeakPolarHBondContact CZ3-O 3.49Å; W51-S80 VanDerWaalsContact CZ3-C 3.45Å
52S93.1Very high97.4Very high27 Ų2739.9 Ų39.919%0.18919%0.191CC..  trans-99.8119.6-176.5159.80000111V50 K54 D55 F56V50-S52 VanDerWaalsContact C-N 3.27Å; V50-S52 PolarHBondContact O-N 2.83Å; S52-K54 PolarHBondContact O-N 2.99Å; S52-K54 PolarHBondContact OG-N 2.8Å; S52-D55 WeakPolarHBondContact CB-OD2 3.32Å; S52-D55 PolarHBondContact O-N 3.4Å; S52-D55 PolarHBondContact OG-N 2.81Å; S52-D55 PolarHBondContact OG-OD2 2.78Å; S52-F56 PolarHBondContact O-N 2.95Å; S52-F56 VanDerWaalsContact O-N 3.09Å
53E93.5Very high97.4Very high93 Ų9339.8 Ų39.844%0.43519%0.191SC..Hα-helixtrans-60.6-28.9175.1-176.2162.7-16000111.5F56 L57 Y72 K74E53-F56 PolarHBondContact O-N 2.79Å; E53-L57 HydrophobicContact CG-CD1 4.12Å; E53-L57 HydrophobicContact CG-CG 4.38Å; E53-L57 WeakPolarHBondContact O-CB 3.36Å; E53-L57 WeakPolarHBondContact O-CG 3.13Å; E53-L57 PolarHBondContact O-N 3.29Å; E53-Y72 HydrophobicContact CB-CE1 4.43Å; E53-K74 VanDerWaalsContact CD-NZ 3.27Å; E53-K74 WeakPolarHBondContact OE1-CE 3.47Å; E53-K74 IonicContact OE1-NZ 3.02Å; E53-K74 PolarHBondContact OE1-NZ 2.79Å; E53-K74 IonicContact OE2-NZ 3.54Å; E53-K74 PolarHBondContact OE2-NZ 2.97Å; E53-K74 VanDerWaalsContact OE2-NZ 3.1Å
54K94.8Very high97.4Very high164 Ų16441.3 Ų41.371%0.71321%0.207SC*.Hα-helixtrans-63-43.4173.5-180-173.9173.3-172.10111.7S52 L57 Y58S52-K54 PolarHBondContact O-N 2.99Å; S52-K54 PolarHBondContact OG-N 2.8Å; K54-L57 PolarHBondContact O-N 2.84Å; K54-Y58 PolarHBondContact O-N 2.82Å
55D96.6Very high97.3Very high22 Ų2246.6 Ų46.612%0.11824%0.244CC..Hα-helixtrans-72.3-36.2-179-63.5-46.4000111.2Y30 S52 Y58 L59Y30-D55 HydrophobicContact CD1-CB 3.86Å; Y30-D55 HydrophobicContact CD2-CB 4.29Å; Y30-D55 HydrophobicContact CE1-CB 3.69Å; Y30-D55 HydrophobicContact CE2-CB 4.15Å; Y30-D55 HydrophobicContact CG-CB 4.16Å; S52-D55 WeakPolarHBondContact CB-OD2 3.32Å; S52-D55 PolarHBondContact O-N 3.4Å; S52-D55 PolarHBondContact OG-N 2.81Å; S52-D55 PolarHBondContact OG-OD2 2.78Å; D55-Y58 PolarHBondContact O-N 3.27Å; D55-L59 PolarHBondContact O-N 3.02Å
56F97.7Very high97.2Very high10 Ų1047.4 Ų47.44%0.04425%0.249CC..Hα-helixtrans-58.4-49.4167.8170.1-100.8000112.1V50 S52 E53 Y58 L59 K60 Y72 A83 F85V50-F56 HydrophobicContact CG1-CB 3.86Å; S52-F56 PolarHBondContact O-N 2.95Å; S52-F56 VanDerWaalsContact O-N 3.09Å; E53-F56 PolarHBondContact O-N 2.79Å; F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 PolarHBondContact O-N 2.85Å; F56-L59 PolarHBondContact O-N 3.43Å; F56-K60 HydrophobicContact CE1-CD 4.07Å; F56-K60 HydrophobicContact CZ-CD 4.19Å; F56-K60 WeakPolarHBondContact O-CB 3.48Å; F56-K60 PolarHBondContact O-N 3.33Å; F56-Y72 HydrophobicContact CB-CD2 3.95Å; F56-Y72 HydrophobicContact CB-CE2 4.23Å; F56-Y72 HydrophobicContact CB-CG 4.39Å; F56-Y72 HydrophobicContact CD1-CD2 4.34Å; F56-Y72 HydrophobicContact CD1-CG 4.03Å; F56-Y72 AromaticContact CD2-CD2 3.79Å; F56-Y72 HydrophobicContact CD2-CD2 3.79Å; F56-Y72 HydrophobicContact CD2-CG 4.16Å; F56-Y72 HydrophobicContact CE1-CG 4.41Å; F56-Y72 HydrophobicContact CE2-CD2 4.44Å; F56-Y72 AromaticContact CG-CD2 3.73Å; F56-Y72 HydrophobicContact CG-CD2 3.73Å; F56-Y72 HydrophobicContact CG-CE2 4.49Å; F56-Y72 AromaticContact CG-CG 3.91Å; F56-Y72 HydrophobicContact CG-CG 3.91Å; F56-A83 HydrophobicContact CD2-CB 3.85Å; F56-A83 HydrophobicContact CE2-CB 4.1Å; F56-F85 HydrophobicContact CD2-CE2 4.13Å; F56-F85 AromaticContact CD2-CZ 3.61Å; F56-F85 HydrophobicContact CD2-CZ 3.61Å; F56-F85 HydrophobicContact CE2-CE1 4Å; F56-F85 HydrophobicContact CE2-CE2 4.03Å; F56-F85 AromaticContact CE2-CZ 3.43Å; F56-F85 HydrophobicContact CE2-CZ 3.43Å; F56-F85 VanDerWaalsContact CE2-CZ 3.43Å; F56-F85 HydrophobicContact CZ-CZ 4.42Å
57L97.9Very high97.1Very high85 Ų8547.5 Ų47.545%0.44525%0.25SC..Hα-helixtrans-63.8-36.8-179.9-72.9169.7000111.9E53 K54 K60 V61E53-L57 HydrophobicContact CG-CD1 4.12Å; E53-L57 HydrophobicContact CG-CG 4.38Å; E53-L57 WeakPolarHBondContact O-CB 3.36Å; E53-L57 WeakPolarHBondContact O-CG 3.13Å; E53-L57 PolarHBondContact O-N 3.29Å; K54-L57 PolarHBondContact O-N 2.84Å; L57-K60 PolarHBondContact O-N 2.77Å; L57-V61 WeakPolarHBondContact O-CG2 3.23Å; L57-V61 PolarHBondContact O-N 3.31Å
58Y98.4Very high97.1Very high77 Ų7751 Ų5130%0.30227%0.272SS..Hα-helixtrans-58.2-51.3171.6168.2-96.5000111.4Q31 K54 D55 F56 K60 V61 K62Q31-Y58 WeakPolarHBondContact CG-OH 3.35Å; K54-Y58 PolarHBondContact O-N 2.82Å; D55-Y58 PolarHBondContact O-N 3.27Å; F56-Y58 VanDerWaalsContact C-N 3.3Å; F56-Y58 PolarHBondContact O-N 2.85Å; Y58-K60 VanDerWaalsContact C-N 3.33Å; Y58-K60 PolarHBondContact O-N 2.74Å; Y58-V61 PolarHBondContact O-N 3.09Å; Y58-K62 WeakPolarHBondContact O-CB 3.3Å; Y58-K62 PolarHBondContact O-N 3.23Å
59L98.5Very high97.1Very high0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-61.1-41.5177.1-71.4177.7000111.7Y30 I33 L47 D55 F56 V61 K62 L63 F85Y30-L59 HydrophobicContact CD1-CD1 3.75Å; Y30-L59 HydrophobicContact CD1-CD2 4.28Å; Y30-L59 HydrophobicContact CD1-CG 3.93Å; Y30-L59 HydrophobicContact CE1-CD1 3.73Å; Y30-L59 HydrophobicContact CE1-CG 4.37Å; I33-L59 HydrophobicContact CG2-CD2 4.39Å; L47-L59 HydrophobicContact CD1-CD1 3.7Å; D55-L59 PolarHBondContact O-N 3.02Å; F56-L59 PolarHBondContact O-N 3.43Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 3.47Å; L59-K62 PolarHBondContact O-N 3.41Å; L59-L63 HydrophobicContact CB-CD1 4.36Å; L59-L63 VanDerWaalsContact O-CB 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 2.88Å; L59-F85 HydrophobicContact CB-CE1 4.26Å; L59-F85 HydrophobicContact CB-CE2 4.39Å; L59-F85 HydrophobicContact CB-CZ 3.75Å; L59-F85 HydrophobicContact CD1-CE2 4.48Å
60K98.5Very high97.1Very high96 Ų9654.5 Ų54.542%0.41729%0.291SS..Hα-helixtrans-58.1-42.7176.7-178.1173.7-178.7174.20113F56 L57 Y58 A64 F85F56-K60 HydrophobicContact CE1-CD 4.07Å; F56-K60 HydrophobicContact CZ-CD 4.19Å; F56-K60 WeakPolarHBondContact O-CB 3.48Å; F56-K60 PolarHBondContact O-N 3.33Å; L57-K60 PolarHBondContact O-N 2.77Å; Y58-K60 VanDerWaalsContact C-N 3.33Å; Y58-K60 PolarHBondContact O-N 2.74Å; K60-A64 PolarHBondContact O-N 3.04Å; K60-F85 HydrophobicContact CB-CE1 4.07Å
61V98.4Very high97.2Very high116 Ų11657.3 Ų57.370%0.70330%0.304SS*.Hα-helixtrans-69.7-46.3175.5173.40000110.6L57 Y58 L59 L63 A64L57-V61 WeakPolarHBondContact O-CG2 3.23Å; L57-V61 PolarHBondContact O-N 3.31Å; Y58-V61 PolarHBondContact O-N 3.09Å; L59-V61 VanDerWaalsContact C-N 3.33Å; L59-V61 PolarHBondContact O-N 3.47Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 2.93Å; V61-A64 WeakPolarHBondContact O-CB 3.48Å; V61-A64 PolarHBondContact O-N 3.41Å
62K98.3Very high97.4Very high74 Ų7457 Ų5732%0.32230%0.303SS..Hα-helixtrans-60.5-38.7-178.7-177.967.9174.2-166.50112.5C38 Y58 L59C38-K62 PolarHBondContact SG-O 3.27Å; C38-K62 VanDerWaalsContact SG-O 3.36Å; Y58-K62 WeakPolarHBondContact O-CB 3.3Å; Y58-K62 PolarHBondContact O-N 3.23Å; L59-K62 PolarHBondContact O-N 3.41Å
63L98.3Very high97.5Very high0 Ų055.8 Ų55.80%029%0.294CS..THydrogen-bonded Turntrans-93.73.3-175.7-59174.1000113.5L37 L59 V61 S65 T66 H67 F85L37-L63 HydrophobicContact CB-CD1 4.36Å; L37-L63 HydrophobicContact CB-CD2 3.58Å; L37-L63 HydrophobicContact CD1-CD1 3.9Å; L59-L63 HydrophobicContact CB-CD1 4.36Å; L59-L63 VanDerWaalsContact O-CB 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.33Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.31Å; L59-L63 PolarHBondContact O-N 2.88Å; V61-L63 VanDerWaalsContact C-N 3.3Å; V61-L63 PolarHBondContact O-N 2.93Å; L63-S65 PolarHBondContact O-N 3.31Å; L63-T66 PolarHBondContact O-N 2.92Å; L63-T66 PolarHBondContact O-OG1 3.13Å; L63-H67 HydrophobicContact CB-CB 4.25Å; L63-H67 CarbonylContact O-C 3.42Å; L63-H67 PolarHBondContact O-N 3.29Å; L63-F85 HydrophobicContact CD1-CB 4.46Å; L63-F85 HydrophobicContact CD1-CD1 3.84Å; L63-F85 HydrophobicContact CD1-CD2 4.41Å; L63-F85 HydrophobicContact CD1-CE1 4.19Å; L63-F85 HydrophobicContact CD1-CG 3.98Å
64A97.4Very high97.5Very high57 Ų5757.4 Ų57.447%0.47130%0.3SS..THydrogen-bonded Turntrans-56.7-30-171.500000114.5K60 V61K60-A64 PolarHBondContact O-N 3.04Å; V61-A64 WeakPolarHBondContact O-CB 3.48Å; V61-A64 PolarHBondContact O-N 3.41Å
65S96.8Very high97.1Very high111 Ų11150.3 Ų50.378%0.77627%0.271SS*.THydrogen-bonded Turntrans-85-23.4178.257.10000114.3L63L63-S65 PolarHBondContact O-N 3.31Å
66T97.3Very high96.4Very high17 Ų1751 Ų5110%0.10428%0.284CS..THydrogen-bonded Turntrans-105.7-35.9-175.254.40000112.4Q41 L63 K87Q41-T66 HydrophobicContact CG-CG2 3.98Å; L63-T66 PolarHBondContact O-N 2.92Å; L63-T66 PolarHBondContact O-OG1 3.13Å; T66-K87 VanDerWaalsContact O-CG 3.27Å; T66-K87 WeakPolarHBondContact O-CG 3.42Å
67H98.1Very high95.6Very high2 Ų255.9 Ų55.91%0.00931%0.314CS..  trans-13372.9179.1-52.174.7000109.3L37 H42 V45 L63 H69 F85 A86L37-H67 PolarHBondContact O-CE1 3.49Å; H42-H67 PolarHBondContact O-CD2 3.1Å; H42-H67 PolarHBondContact O-NE2 2.94Å; V45-H67 WeakPolarHBondContact CG2-NE2 3.28Å; L63-H67 HydrophobicContact CB-CB 4.25Å; L63-H67 CarbonylContact O-C 3.42Å; L63-H67 PolarHBondContact O-N 3.29Å; H67-H69 PolarHBondContact O-N 3.02Å; H67-H69 VanDerWaalsContact O-N 3.14Å; H67-F85 HydrophobicContact CB-CB 3.85Å; H67-A86 CarbonylContact C-O 3.55Å; H67-A86 WeakPolarHBondContact CA-O 3.38Å
68P97.8Very high94.9Very high73 Ų7355.6 Ų55.647%0.47431%0.312SS..  trans-65.1-19-172.325.4-34.8000113.6
69H98.5Very high94Very high66 Ų6652.4 Ų52.431%0.30630%0.302SS..EExtended strand (participates in β ladder)trans-104127.9-179.6-56.5-69.4000110.3H67 F85 A86 K87 H88 R89 I90H67-H69 PolarHBondContact O-N 3.02Å; H67-H69 VanDerWaalsContact O-N 3.14Å; H69-F85 CarbonylContact O-C 3.53Å; H69-F85 WeakPolarHBondContact O-CA 3.47Å; H69-A86 PolarHBondContact N-O 3.01Å; H69-A86 PolarHBondContact O-N 3.5Å; H69-K87 PolarHBondContact CD2-O 3.37Å; H69-H88 WeakPolarHBondContact CB-O 3.43Å; H69-H88 VanDerWaalsContact CD2-C 3.4Å; H69-H88 PolarHBondContact CD2-O 3.12Å; H69-H88 VanDerWaalsContact CD2-O 3.24Å; H69-R89 VanDerWaalsContact CD2-CA 3.49Å; H69-R89 WeakPolarHBondContact CD2-CA 3.43Å; H69-R89 PolarHBondContact CD2-N 2.83Å; H69-I90 HydrophobicContact CB-CD1 4.2Å; H69-I90 HydrophobicContact CB-CG1 4.11Å
70S98.4Very high93.6Very high24 Ų2452.4 Ų52.417%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-149.2152-179.852.50000112.4I84S70-I84 CarbonylContact C-O 3.46Å; S70-I84 WeakPolarHBondContact CA-O 3.31Å; S70-I84 WeakPolarHBondContact CB-O 3.48Å
71H98.4Very high93.4Very high60 Ų6047.8 Ų47.828%0.27828%0.282SS..EExtended strand (participates in β ladder)trans-141.3140.8174.6-168.383.3000111F73 A83 I84 I90 T93H71-F73 AromaticContact CD2-CD1 3.58Å; H71-F73 AromaticContact CD2-CD2 3.97Å; H71-F73 AromaticContact CD2-CE1 3.49Å; H71-F73 VanDerWaalsContact CD2-CE1 3.49Å; H71-F73 WeakPolarHBondContact CD2-CE1 3.4Å; H71-F73 AromaticContact CD2-CE2 3.86Å; H71-F73 AromaticContact CD2-CG 3.84Å; H71-F73 AromaticContact CD2-CZ 3.64Å; H71-F73 AromaticContact NE2-CD1 3.79Å; H71-F73 AromaticContact NE2-CE1 3.9Å; H71-A83 WeakPolarHBondContact O-CA 3.15Å; H71-I84 PolarHBondContact N-O 3.24Å; H71-I84 PolarHBondContact O-N 3.38Å; H71-I90 HydrophobicContact CB-CD1 4.16Å; H71-T93 HydrophobicContact CB-CG2 4.16Å; H71-T93 PolarHBondContact CE1-OG1 3.27Å
72Y97.8Very high93.4Very high23 Ų2342.3 Ų42.39%0.0925%0.249CC..EExtended strand (participates in β ladder)trans-116.3118.5176.9-175.6-115.4000109.6V50 W51 E53 F56 K74 A83V50-Y72 HydrophobicContact CB-CE2 4.35Å; V50-Y72 HydrophobicContact CG1-CE2 4.29Å; V50-Y72 WeakPolarHBondContact O-CE2 3.46Å; V50-Y72 PolarHBondContact O-OH 3.23Å; W51-Y72 PolarHBondContact O-OH 2.94Å; E53-Y72 HydrophobicContact CB-CE1 4.43Å; F56-Y72 HydrophobicContact CB-CD2 3.95Å; F56-Y72 HydrophobicContact CB-CE2 4.23Å; F56-Y72 HydrophobicContact CB-CG 4.39Å; F56-Y72 HydrophobicContact CD1-CD2 4.34Å; F56-Y72 HydrophobicContact CD1-CG 4.03Å; F56-Y72 AromaticContact CD2-CD2 3.79Å; F56-Y72 HydrophobicContact CD2-CD2 3.79Å; F56-Y72 HydrophobicContact CD2-CG 4.16Å; F56-Y72 HydrophobicContact CE1-CG 4.41Å; F56-Y72 HydrophobicContact CE2-CD2 4.44Å; F56-Y72 AromaticContact CG-CD2 3.73Å; F56-Y72 HydrophobicContact CG-CD2 3.73Å; F56-Y72 HydrophobicContact CG-CE2 4.49Å; F56-Y72 AromaticContact CG-CG 3.91Å; F56-Y72 HydrophobicContact CG-CG 3.91Å; Y72-K74 HydrophobicContact CD1-CG 3.91Å; Y72-K74 HydrophobicContact CE1-CG 4.14Å; Y72-K74 PolarHBondContact O-N 3.43Å; Y72-A83 HydrophobicContact CD2-CB 4.21Å
73F97.1Very high93.4Very high2 Ų238.8 Ų38.81%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-86.9114.3-175-64.2-85.1000110.4H71 S80 L82 I84 L95 G119 V134H71-F73 AromaticContact CD2-CD1 3.58Å; H71-F73 AromaticContact CD2-CD2 3.97Å; H71-F73 AromaticContact CD2-CE1 3.49Å; H71-F73 VanDerWaalsContact CD2-CE1 3.49Å; H71-F73 WeakPolarHBondContact CD2-CE1 3.4Å; H71-F73 AromaticContact CD2-CE2 3.86Å; H71-F73 AromaticContact CD2-CG 3.84Å; H71-F73 AromaticContact CD2-CZ 3.64Å; H71-F73 AromaticContact NE2-CD1 3.79Å; H71-F73 AromaticContact NE2-CE1 3.9Å; F73-S80 WeakPolarHBondContact CB-OG 3.37Å; F73-S80 WeakPolarHBondContact O-CB 3.37Å; F73-S80 PolarHBondContact O-OG 2.79Å; F73-L82 HydrophobicContact CB-CB 4.18Å; F73-L82 HydrophobicContact CD2-CB 3.99Å; F73-L82 HydrophobicContact CG-CB 4.46Å; F73-L82 PolarHBondContact N-O 2.91Å; F73-I84 HydrophobicContact CE2-CB 4.49Å; F73-I84 HydrophobicContact CE2-CD1 3.76Å; F73-I84 HydrophobicContact CE2-CG1 3.88Å; F73-I84 HydrophobicContact CZ-CD1 3.95Å; F73-L95 HydrophobicContact CB-CD1 3.88Å; F73-L95 HydrophobicContact CB-CD2 4.31Å; F73-L95 HydrophobicContact CD1-CB 4.11Å; F73-L95 HydrophobicContact CD1-CD1 4.02Å; F73-L95 HydrophobicContact CG-CD1 4.24Å; F73-G119 VanDerWaalsContact CE1-CA 3.47Å; F73-V134 HydrophobicContact CD2-CG1 4.03Å; F73-V134 HydrophobicContact CE2-CG1 3.72Å
74K92.3Very high93.5Very high126 Ų12638.8 Ų38.855%0.54823%0.234SC..  trans-90.9124.5-179.3-60.6-171179.2-160.80110.7E53 Y72 L95E53-K74 VanDerWaalsContact CD-NZ 3.27Å; E53-K74 WeakPolarHBondContact OE1-CE 3.47Å; E53-K74 IonicContact OE1-NZ 3.02Å; E53-K74 PolarHBondContact OE1-NZ 2.79Å; E53-K74 IonicContact OE2-NZ 3.54Å; E53-K74 PolarHBondContact OE2-NZ 2.97Å; E53-K74 VanDerWaalsContact OE2-NZ 3.1Å; Y72-K74 HydrophobicContact CD1-CG 3.91Å; Y72-K74 HydrophobicContact CE1-CG 4.14Å; Y72-K74 PolarHBondContact O-N 3.43Å; K74-L95 WeakPolarHBondContact O-CD2 3.27Å
75S87.4Confident93.5Very high16 Ų1636 Ų3611%0.11221%0.211CC..  trans-146.2165.2178.9-172.30000110.3G79 R97 G115S75-G79 CarbonylContact O-C 3.53Å; S75-G79 WeakPolarHBondContact O-CA 3.25Å; S75-G79 PolarHBondContact O-N 2.7Å; S75-R97 VanDerWaalsContact OG-CD 3.25Å; S75-R97 WeakPolarHBondContact OG-CD 3.38Å; S75-R97 WeakPolarHBondContact OG-CG 3.22Å; S75-G115 WeakPolarHBondContact CB-O 3.21Å; S75-G115 PolarHBondContact OG-O 2.76Å
76G81.6Confident93.6Very high37 Ų3730.8 Ų30.838%0.38117%0.174SC..THydrogen-bonded Turntrans59.2-153.317000000114.4
77V81.5Confident93.6Very high111 Ų11133.4 Ų33.467%0.67318%0.184SC*.THydrogen-bonded Turntrans-91.2-41.6176.6-179.50000110.5F113V77-F113 PolarHBondContact N-O 3.39Å
78I82.1Confident93.6Very high79 Ų7935.6 Ų35.641%0.40519%0.194SC..THydrogen-bonded Turntrans-102.53.4-175.466.4177.4000113.9W51 F113W51-I78 HydrophobicContact CE3-CD1 4.17Å; W51-I78 HydrophobicContact CE3-CG1 4.12Å; W51-I78 HydrophobicContact CZ3-CD1 4.5Å; W51-I78 HydrophobicContact CZ3-CG1 4.45Å; I78-F113 HydrophobicContact CD1-CB 4.06Å; I78-F113 HydrophobicContact CG1-CB 4.22Å; I78-F113 HydrophobicContact CG2-CB 4.32Å; I78-F113 PolarHBondContact N-O 2.94Å
79G80.4Confident93.5Very high10 Ų1040 Ų4010%0.10320%0.201CC..  trans98.9160.2-174.900000112.2W51 S75 G81 G114W51-G79 WeakPolarHBondContact CZ3-O 3.49Å; S75-G79 CarbonylContact O-C 3.53Å; S75-G79 WeakPolarHBondContact O-CA 3.25Å; S75-G79 PolarHBondContact O-N 2.7Å; G79-G81 VanDerWaalsContact C-N 3.26Å; G79-G81 PolarHBondContact O-N 2.76Å; G79-G114 CarbonylContact C-O 3.6Å; G79-G114 CarbonylContact O-C 3.47Å; G79-G114 WeakPolarHBondContact O-CA 3.3Å
80S89Confident93.5Very high0 Ų038.2 Ų38.20%019%0.194CC..  trans-74.7-16.9177.672.70000113.6W51 F73 L82W51-S80 VanDerWaalsContact CZ3-C 3.45Å; F73-S80 WeakPolarHBondContact CB-OG 3.37Å; F73-S80 WeakPolarHBondContact O-CB 3.37Å; F73-S80 PolarHBondContact O-OG 2.79Å; S80-L82 PolarHBondContact O-N 2.63Å; S80-L82 WeakPolarHBondContact OG-CB 3.24Å; S80-L82 WeakPolarHBondContact OG-CG 3.35Å; S80-L82 PolarHBondContact OG-N 2.85Å
81G95.2Very high93.5Very high0 Ų042.2 Ų42.20%021%0.21CC..  trans742.3-169.400000114.2Q48 E49 V50 G79Q48-G81 CarbonylContact C-O 3.58Å; Q48-G81 WeakPolarHBondContact CA-O 3.36Å; E49-G81 PolarHBondContact N-O 2.93Å; V50-G81 PolarHBondContact N-O 3.42Å; G79-G81 VanDerWaalsContact C-N 3.26Å; G79-G81 PolarHBondContact O-N 2.76Å
82L98.5Very high93.4Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-98.3134.1-173.2-49.2174.3000112.2L47 Q48 F73 S80 A117 V134 H136L47-L82 WeakPolarHBondContact O-CA 3.39Å; Q48-L82 HydrophobicContact CB-CD2 4.36Å; Q48-L82 HydrophobicContact CG-CD2 4.07Å; F73-L82 HydrophobicContact CB-CB 4.18Å; F73-L82 HydrophobicContact CD2-CB 3.99Å; F73-L82 HydrophobicContact CG-CB 4.46Å; F73-L82 PolarHBondContact N-O 2.91Å; S80-L82 PolarHBondContact O-N 2.63Å; S80-L82 WeakPolarHBondContact OG-CB 3.24Å; S80-L82 WeakPolarHBondContact OG-CG 3.35Å; S80-L82 PolarHBondContact OG-N 2.85Å; L82-A117 HydrophobicContact CD1-CB 4.2Å; L82-A117 WeakPolarHBondContact CD1-O 3.18Å; L82-V134 HydrophobicContact CB-CG1 3.9Å; L82-V134 HydrophobicContact CB-CG2 4.49Å; L82-V134 HydrophobicContact CD1-CG1 4.44Å; L82-V134 HydrophobicContact CD2-CG2 4.23Å; L82-H136 HydrophobicContact CD2-CB 3.73Å
83A98.6Very high93.5Very high0 Ų045.1 Ų45.10%023%0.231CC..EExtended strand (participates in β ladder)trans-140147.7173.800000111.8L47 V50 F56 H71 Y72 F85L47-A83 HydrophobicContact CB-CB 4.36Å; L47-A83 PolarHBondContact N-O 3.32Å; L47-A83 PolarHBondContact O-N 2.82Å; V50-A83 HydrophobicContact CG2-CB 4.4Å; F56-A83 HydrophobicContact CD2-CB 3.85Å; F56-A83 HydrophobicContact CE2-CB 4.1Å; H71-A83 WeakPolarHBondContact O-CA 3.15Å; Y72-A83 HydrophobicContact CD2-CB 4.21Å; A83-F85 HydrophobicContact CB-CE2 4Å
84I98.8Very high93.5Very high0 Ų050.3 Ų50.30%025%0.253CS..EExtended strand (participates in β ladder)trans-120.4136.1170.7-66.9175.5000108.8V45 L46 S70 H71 F73 I90 A121 V134V45-I84 WeakPolarHBondContact O-CA 3.4Å; L46-I84 HydrophobicContact CD2-CD1 4.11Å; L46-I84 HydrophobicContact CD2-CG1 3.74Å; L46-I84 HydrophobicContact CD2-CG2 4.35Å; S70-I84 CarbonylContact C-O 3.46Å; S70-I84 WeakPolarHBondContact CA-O 3.31Å; S70-I84 WeakPolarHBondContact CB-O 3.48Å; H71-I84 PolarHBondContact N-O 3.24Å; H71-I84 PolarHBondContact O-N 3.38Å; F73-I84 HydrophobicContact CE2-CB 4.49Å; F73-I84 HydrophobicContact CE2-CD1 3.76Å; F73-I84 HydrophobicContact CE2-CG1 3.88Å; F73-I84 HydrophobicContact CZ-CD1 3.95Å; I84-I90 HydrophobicContact CG2-CD1 4.43Å; I84-A121 HydrophobicContact CD1-CB 3.75Å; I84-V134 HydrophobicContact CD1-CB 4.33Å; I84-V134 HydrophobicContact CD1-CG1 3.86Å; I84-V134 HydrophobicContact CG1-CB 4.14Å; I84-V134 HydrophobicContact CG1-CG1 3.73Å
85F98.8Very high93.8Very high0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-123.5140.7164.4-59.2-100.1000108.9V45 L47 F56 L59 K60 L63 H67 H69 A83V45-F85 HydrophobicContact CB-CB 4.04Å; V45-F85 HydrophobicContact CG1-CB 4.41Å; V45-F85 HydrophobicContact CG1-CD2 4.33Å; V45-F85 PolarHBondContact N-O 2.8Å; V45-F85 PolarHBondContact O-N 2.93Å; L47-F85 HydrophobicContact CD1-CD2 4.12Å; L47-F85 HydrophobicContact CD1-CE2 3.84Å; F56-F85 HydrophobicContact CD2-CE2 4.13Å; F56-F85 AromaticContact CD2-CZ 3.61Å; F56-F85 HydrophobicContact CD2-CZ 3.61Å; F56-F85 HydrophobicContact CE2-CE1 4Å; F56-F85 HydrophobicContact CE2-CE2 4.03Å; F56-F85 AromaticContact CE2-CZ 3.43Å; F56-F85 HydrophobicContact CE2-CZ 3.43Å; F56-F85 VanDerWaalsContact CE2-CZ 3.43Å; F56-F85 HydrophobicContact CZ-CZ 4.42Å; L59-F85 HydrophobicContact CB-CE1 4.26Å; L59-F85 HydrophobicContact CB-CE2 4.39Å; L59-F85 HydrophobicContact CB-CZ 3.75Å; L59-F85 HydrophobicContact CD1-CE2 4.48Å; K60-F85 HydrophobicContact CB-CE1 4.07Å; L63-F85 HydrophobicContact CD1-CB 4.46Å; L63-F85 HydrophobicContact CD1-CD1 3.84Å; L63-F85 HydrophobicContact CD1-CD2 4.41Å; L63-F85 HydrophobicContact CD1-CE1 4.19Å; L63-F85 HydrophobicContact CD1-CG 3.98Å; H67-F85 HydrophobicContact CB-CB 3.85Å; H69-F85 CarbonylContact O-C 3.53Å; H69-F85 WeakPolarHBondContact O-CA 3.47Å; A83-F85 HydrophobicContact CB-CE2 4Å
86A98.5Very high94.3Very high0 Ų049.5 Ų49.50%025%0.248CC..EExtended strand (participates in β ladder)trans-147.1149-176.600000111.8D43 H67 H69 H88 L123D43-A86 WeakPolarHBondContact O-CA 3.27Å; H67-A86 CarbonylContact C-O 3.55Å; H67-A86 WeakPolarHBondContact CA-O 3.38Å; H69-A86 PolarHBondContact N-O 3.01Å; H69-A86 PolarHBondContact O-N 3.5Å; A86-H88 VanDerWaalsContact C-N 3.35Å; A86-H88 WeakPolarHBondContact CB-O 3.49Å; A86-L123 HydrophobicContact CB-CD1 4.27Å; A86-L123 HydrophobicContact CB-CD2 4.49Å
87K97.9Very high95Very high72 Ų7254.9 Ų54.931%0.31326%0.257SS..SBendtrans-70.7-35.9163.5-72.3-175.6-163.6158.20111.7Q41 H42 D43 T66 H69Q41-K87 WeakPolarHBondContact O-CE 3.39Å; Q41-K87 PolarHBondContact O-NZ 2.82Å; H42-K87 VanDerWaalsContact O-CE 3.23Å; H42-K87 WeakPolarHBondContact O-CE 3.27Å; D43-K87 PolarHBondContact O-N 2.9Å; D43-K87 VanDerWaalsContact OD1-CD 3.3Å; D43-K87 WeakPolarHBondContact OD1-CD 3.21Å; D43-K87 WeakPolarHBondContact OD1-CE 3.33Å; D43-K87 IonicContact OD1-NZ 3.27Å; D43-K87 PolarHBondContact OD1-NZ 3.48Å; T66-K87 VanDerWaalsContact O-CG 3.27Å; T66-K87 WeakPolarHBondContact O-CG 3.42Å; H69-K87 PolarHBondContact CD2-O 3.37Å
88H96.7Very high95.8Very high48 Ų4849.7 Ų49.722%0.22223%0.226CC..SBendtrans-80.2147.7-179.6-59.3-87.2000111H69 A86 I90 L123 N124H69-H88 WeakPolarHBondContact CB-O 3.43Å; H69-H88 VanDerWaalsContact CD2-C 3.4Å; H69-H88 PolarHBondContact CD2-O 3.12Å; H69-H88 VanDerWaalsContact CD2-O 3.24Å; A86-H88 VanDerWaalsContact C-N 3.35Å; A86-H88 WeakPolarHBondContact CB-O 3.49Å; H88-I90 PolarHBondContact O-N 2.91Å; H88-L123 HydrophobicContact CB-CB 4.35Å; H88-L123 HydrophobicContact CB-CD1 4.46Å; H88-N124 PolarHBondContact ND1-O 2.79Å
89R96.6Very high96.4Very high165 Ų16548.1 Ų48.162%0.62322%0.222SC*.PPolyproline II helixtrans-63.4129.8177-176.8173.6178.3169.9-0.9110.6H69 H91H69-R89 VanDerWaalsContact CD2-CA 3.49Å; H69-R89 WeakPolarHBondContact CD2-CA 3.43Å; H69-R89 PolarHBondContact CD2-N 2.83Å; R89-H91 PolarHBondContact O-CD2 2.69Å; R89-H91 PolarHBondContact O-N 3.38Å
90I98.3Very high97.1Very high30 Ų3048 Ų4815%0.15422%0.219CC..EExtended strand (participates in β ladder)trans-78.2116.7167.5-58.9167.2000108H69 H71 I84 H88 T93 A121 L123H69-I90 HydrophobicContact CB-CD1 4.2Å; H69-I90 HydrophobicContact CB-CG1 4.11Å; H71-I90 HydrophobicContact CB-CD1 4.16Å; I84-I90 HydrophobicContact CG2-CD1 4.43Å; H88-I90 PolarHBondContact O-N 2.91Å; I90-T93 HydrophobicContact CG2-CG2 3.53Å; I90-A121 HydrophobicContact CG2-CB 4.1Å; I90-L123 HydrophobicContact CB-CD2 4.19Å; I90-L123 HydrophobicContact CG1-CD2 3.63Å
91H97.8Very high97.3Very high107 Ų10748.8 Ų48.850%0.49522%0.223SC..EExtended strand (participates in β ladder)trans-88.1-40.4-178.7-71.6-78.4000112.5R89 I122R89-H91 PolarHBondContact O-CD2 2.69Å; R89-H91 PolarHBondContact O-N 3.38Å; H91-I122 PolarHBondContact N-O 2.96Å
92D97.8Very high97.2Very high101 Ų10148.9 Ų48.954%0.5422%0.224SC..EExtended strand (participates in β ladder)trans-152.1160.1179.2-1592000110.1A121 I122D92-A121 CarbonylContact O-C 3.6Å; D92-A121 WeakPolarHBondContact O-CA 3.14Å; D92-I122 HydrophobicContact CB-CB 4.43Å; D92-I122 HydrophobicContact CB-CD1 4.12Å; D92-I122 HydrophobicContact CB-CG1 4.34Å; D92-I122 PolarHBondContact O-N 2.99Å
93T98.3Very high96.8Very high43 Ų4349.9 Ų49.926%0.26423%0.228SC..EExtended strand (participates in β ladder)trans-140.9141.6179.956.80000111.4H71 I90 M120 A121H71-T93 HydrophobicContact CB-CG2 4.16Å; H71-T93 PolarHBondContact CE1-OG1 3.27Å; I90-T93 HydrophobicContact CG2-CG2 3.53Å; T93-M120 CarbonylContact C-O 3.51Å; T93-M120 WeakPolarHBondContact CA-O 3.26Å; T93-A121 HydrophobicContact CG2-CB 4.39Å
94F97.9Very high96.3Very high111 Ų11151.9 Ų51.949%0.48724%0.241SC..EExtended strand (participates in β ladder)trans-138.5130.7175.8-172.1-163.1000110.9M120 F162 T166F94-M120 HydrophobicContact CB-CB 4.42Å; F94-M120 PolarHBondContact N-O 2.76Å; F94-M120 PolarHBondContact O-N 3.34Å; F94-F162 HydrophobicContact CB-CZ 4.42Å; F94-F162 AromaticContact CD1-CE2 3.56Å; F94-F162 HydrophobicContact CD1-CE2 3.56Å; F94-F162 AromaticContact CD1-CZ 3.67Å; F94-F162 HydrophobicContact CD1-CZ 3.67Å; F94-F162 AromaticContact CE1-CE2 3.52Å; F94-F162 HydrophobicContact CE1-CE2 3.52Å; F94-F162 HydrophobicContact CE1-CZ 4.14Å; F94-F162 HydrophobicContact CG-CE2 4.26Å; F94-F162 HydrophobicContact CG-CZ 4.1Å; F94-F162 HydrophobicContact CZ-CE2 4.17Å; F94-T166 HydrophobicContact CD1-CG2 4.26Å; F94-T166 HydrophobicContact CE1-CG2 4.43Å
95L98.1Very high95.8Very high51 Ų5156.2 Ų56.227%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-108128.5176.6-178.461.3000110.4F73 K74 A117 V118F73-L95 HydrophobicContact CB-CD1 3.88Å; F73-L95 HydrophobicContact CB-CD2 4.31Å; F73-L95 HydrophobicContact CD1-CB 4.11Å; F73-L95 HydrophobicContact CD1-CD1 4.02Å; F73-L95 HydrophobicContact CG-CD1 4.24Å; K74-L95 WeakPolarHBondContact O-CD2 3.27Å; L95-A117 HydrophobicContact CD1-CB 3.64Å; L95-V118 WeakPolarHBondContact CD1-O 3.39Å
96Y97.8Very high95.2Very high74 Ų7460 Ų6029%0.2928%0.277SS..EExtended strand (participates in β ladder)trans-117.4112.4169.1-179.4-92000110.1Y98 A117 V118 E158 F162Y96-Y98 HydrophobicContact CD1-CD1 4.08Å; Y96-Y98 HydrophobicContact CD1-CE1 4.28Å; Y96-Y98 AromaticContact CE1-CD1 3.93Å; Y96-Y98 HydrophobicContact CE1-CD1 3.93Å; Y96-Y98 HydrophobicContact CE1-CE1 4.46Å; Y96-A117 CarbonylContact O-C 3.5Å; Y96-A117 VanDerWaalsContact O-CA 3.24Å; Y96-A117 WeakPolarHBondContact O-CA 3.35Å; Y96-A117 VanDerWaalsContact O-CB 3.25Å; Y96-A117 WeakPolarHBondContact O-CB 3.37Å; Y96-V118 HydrophobicContact CD1-CG1 4.26Å; Y96-V118 PolarHBondContact N-O 2.88Å; Y96-V118 PolarHBondContact O-N 3.29Å; Y96-E158 HydrophobicContact CE1-CB 3.83Å; Y96-E158 HydrophobicContact CE1-CG 4.32Å; Y96-E158 PolarHBondContact OH-OE1 3.42Å; Y96-F162 HydrophobicContact CD2-CD2 4.2Å; Y96-F162 AromaticContact CG-CD2 3.89Å; Y96-F162 HydrophobicContact CG-CD2 3.89Å; Y96-F162 HydrophobicContact CG-CE2 4.24Å; Y96-F162 HydrophobicContact CG-CG 4.45Å
97R97.3Very high94.3Very high150 Ų15063.3 Ų63.357%0.56630%0.304SS*.EExtended strand (participates in β ladder)trans-82.6129.6173.4-174.5-179.573.6172.9-0.7109.4S75S75-R97 VanDerWaalsContact OG-CD 3.25Å; S75-R97 WeakPolarHBondContact OG-CD 3.38Å; S75-R97 WeakPolarHBondContact OG-CG 3.22Å
98Y97.4Very high93.4Very high2 Ų268.6 Ų68.61%0.00833%0.329CS..  trans-65.7150.8179.2-58.5-58.6000112.4Y96 N101 K116 A117 V118 T135 L137 Q155 E158 L159Y96-Y98 HydrophobicContact CD1-CD1 4.08Å; Y96-Y98 HydrophobicContact CD1-CE1 4.28Å; Y96-Y98 AromaticContact CE1-CD1 3.93Å; Y96-Y98 HydrophobicContact CE1-CD1 3.93Å; Y96-Y98 HydrophobicContact CE1-CE1 4.46Å; Y98-N101 PolarHBondContact O-ND2 3.37Å; Y98-K116 HydrophobicContact CD2-CB 3.93Å; Y98-K116 VanDerWaalsContact CD2-O 3.28Å; Y98-K116 WeakPolarHBondContact CD2-O 3.23Å; Y98-K116 HydrophobicContact CE2-CB 4.48Å; Y98-K116 PolarHBondContact N-O 3.35Å; Y98-A117 VanDerWaalsContact CE2-CA 3.48Å; Y98-A117 WeakPolarHBondContact CE2-O 3.22Å; Y98-V118 HydrophobicContact CE1-CG1 4.24Å; Y98-V118 WeakPolarHBondContact OH-CB 3.48Å; Y98-T135 PolarHBondContact OH-OG1 2.72Å; Y98-L137 HydrophobicContact CD2-CD2 4.34Å; Y98-L137 HydrophobicContact CE1-CD2 4.44Å; Y98-L137 HydrophobicContact CE2-CD2 3.5Å; Y98-L137 WeakPolarHBondContact OH-CD2 3.14Å; Y98-Q155 HydrophobicContact CD1-CB 4.09Å; Y98-Q155 HydrophobicContact CD1-CG 4.29Å; Y98-Q155 HydrophobicContact CD2-CB 4.12Å; Y98-Q155 HydrophobicContact CD2-CG 3.9Å; Y98-Q155 HydrophobicContact CE1-CB 4.42Å; Y98-Q155 HydrophobicContact CE2-CB 4.46Å; Y98-Q155 HydrophobicContact CG-CB 3.96Å; Y98-Q155 HydrophobicContact CG-CG 3.71Å; Y98-E158 VanDerWaalsContact CA-OE2 3.23Å; Y98-E158 WeakPolarHBondContact CA-OE2 3.45Å; Y98-E158 WeakPolarHBondContact CB-OE2 3.28Å; Y98-E158 HydrophobicContact CD1-CB 3.97Å; Y98-E158 WeakPolarHBondContact CD1-OE2 3.39Å; Y98-E158 HydrophobicContact CE1-CB 4.33Å; Y98-L159 HydrophobicContact CE1-CB 4.13Å
99S95.8Very high92.9Very high47 Ų4768.6 Ų68.633%0.32933%0.329SS..SBendtrans-74.3-25.6-176.562.60000113.8E158S99-E158 WeakPolarHBondContact CB-OE1 3.25Å; S99-E158 PolarHBondContact N-OE2 3.18Å; S99-E158 PolarHBondContact OG-OE1 3.06Å
100L95.1Very high92.2Very high7 Ų762.2 Ų62.24%0.03732%0.315CS..  trans-123.2114.4180-65.6179.7000110.6H151 V154 Q155 E390 L394L100-H151 HydrophobicContact CB-CB 4.19Å; L100-V154 HydrophobicContact CD1-CB 3.92Å; L100-V154 HydrophobicContact CD1-CG1 3.94Å; L100-V154 HydrophobicContact CD1-CG2 3.9Å; L100-V154 HydrophobicContact CG-CG1 4.32Å; L100-Q155 PolarHBondContact O-NE2 3.09Å; L100-E390 HydrophobicContact CD2-CB 4.35Å; L100-E390 HydrophobicContact CD2-CG 3.9Å; L100-L394 HydrophobicContact CD1-CD2 3.65Å; L100-L394 HydrophobicContact CD1-CG 3.84Å
101N92.7Very high91.8Very high16 Ų1661 Ų619%0.08631%0.309CS..  trans-126.422.1-176.3-67.6-42.4000113.3Y98 D111 W112 K116 H138 Q155Y98-N101 PolarHBondContact O-ND2 3.37Å; N101-D111 CarbonylContact O-C 3.46Å; N101-D111 VanDerWaalsContact O-CB 3.27Å; N101-D111 WeakPolarHBondContact O-CB 3.24Å; N101-W112 WeakPolarHBondContact O-CA 3.35Å; N101-W112 PolarHBondContact O-N 3.09Å; N101-K116 VanDerWaalsContact OD1-CB 3.32Å; N101-K116 WeakPolarHBondContact OD1-CB 3.36Å; N101-K116 PolarHBondContact OD1-N 2.91Å; N101-K116 PolarHBondContact OD1-O 3.04Å; N101-H138 VanDerWaalsContact C-CD2 3.45Å; N101-Q155 PolarHBondContact OD1-NE2 2.99Å
102G92.5Very high91.3Very high3 Ų360.3 Ų60.33%0.03130%0.302CS..  trans94.8-159.5-179.700000112.9W112 H138 H151 F386G102-W112 VanDerWaalsContact O-CD1 3.31Å; G102-H138 WeakPolarHBondContact CA-NE2 3.4Å; G102-H138 PolarHBondContact N-NE2 2.83Å; G102-H151 WeakPolarHBondContact CA-ND1 3.26Å; G102-H151 PolarHBondContact N-ND1 3.44Å; G102-H151 VanDerWaalsContact N-ND1 3.14Å; G102-F386 VanDerWaalsContact O-CZ 3.27Å; G102-F386 WeakPolarHBondContact O-CZ 3.48Å
103Y90.4Very high90.7Very high21 Ų2158.4 Ų58.48%0.08229%0.289CS..  trans-116132.8-169.7-56.1-72.7000112.4Y105 M106 Y148 F386 Y387 E390Y103-Y105 VanDerWaalsContact C-N 3.27Å; Y103-Y105 AromaticContact CD1-CE1 3.99Å; Y103-Y105 HydrophobicContact CD1-CE1 3.99Å; Y103-Y105 HydrophobicContact CD1-CE2 4.48Å; Y103-Y105 AromaticContact CD1-CZ 3.63Å; Y103-Y105 WeakPolarHBondContact CD1-OH 3.27Å; Y103-Y105 HydrophobicContact CG-CE1 4.18Å; Y103-Y105 HydrophobicContact CG-CE2 4.05Å; Y103-Y105 AromaticContact CG-CZ 3.63Å; Y103-Y105 PolarHBondContact O-N 2.65Å; Y103-M106 HydrophobicContact CD2-CG 4.23Å; Y103-M106 PolarHBondContact O-N 3.14Å; Y103-Y148 HydrophobicContact CD2-CD1 4.33Å; Y103-Y148 AromaticContact CD2-CE1 3.3Å; Y103-Y148 HydrophobicContact CD2-CE1 3.3Å; Y103-Y148 AromaticContact CD2-CZ 3.73Å; Y103-Y148 WeakPolarHBondContact CD2-OH 3.41Å; Y103-Y148 AromaticContact CE2-CD1 3.97Å; Y103-Y148 HydrophobicContact CE2-CD1 3.97Å; Y103-Y148 AromaticContact CE2-CE1 3.32Å; Y103-Y148 HydrophobicContact CE2-CE1 3.32Å; Y103-Y148 AromaticContact CE2-CZ 3.92Å; Y103-Y148 HydrophobicContact CG-CE1 4.42Å; Y103-F386 HydrophobicContact CD1-CD1 4.36Å; Y103-F386 AromaticContact CD1-CE1 3.35Å; Y103-F386 HydrophobicContact CD1-CE1 3.35Å; Y103-F386 AromaticContact CD1-CZ 3.68Å; Y103-F386 HydrophobicContact CD1-CZ 3.68Å; Y103-F386 AromaticContact CE1-CE1 3.81Å; Y103-F386 HydrophobicContact CE1-CE1 3.81Å; Y103-F386 HydrophobicContact CE1-CZ 4.31Å; Y103-F386 HydrophobicContact CG-CE1 4.48Å; Y103-Y387 HydrophobicContact CE1-CE1 4.27Å; Y103-E390 WeakPolarHBondContact CE1-OE2 3.36Å; Y103-E390 PolarHBondContact OH-OE1 2.9Å
104P88.3Confident90.1Very high41 Ų4156.3 Ų56.327%0.26628%0.276SS..THydrogen-bonded Turntrans-66.2-26.9-179.324.3-33.2000113.6W112 F386P104-W112 HydrophobicContact CB-CD2 3.7Å; P104-W112 HydrophobicContact CB-CE3 3.87Å; P104-W112 HydrophobicContact CB-CG 4.27Å; P104-W112 HydrophobicContact CB-CH2 4.08Å; P104-W112 HydrophobicContact CB-CZ2 3.9Å; P104-W112 HydrophobicContact CB-CZ3 4.06Å; P104-W112 HydrophobicContact CG-CZ2 4.41Å; P104-F386 HydrophobicContact CG-CD2 3.76Å; P104-F386 HydrophobicContact CG-CE2 4.01Å; P104-F386 HydrophobicContact CG-CG 4.28Å
105Y87.7Confident89.7Confident92 Ų9251.1 Ų51.136%0.36125%0.254SS..THydrogen-bonded Turntrans-82.9-12.7179.653.5-100.8000113.3Y103 A107 L383 Y387Y103-Y105 VanDerWaalsContact C-N 3.27Å; Y103-Y105 AromaticContact CD1-CE1 3.99Å; Y103-Y105 HydrophobicContact CD1-CE1 3.99Å; Y103-Y105 HydrophobicContact CD1-CE2 4.48Å; Y103-Y105 AromaticContact CD1-CZ 3.63Å; Y103-Y105 WeakPolarHBondContact CD1-OH 3.27Å; Y103-Y105 HydrophobicContact CG-CE1 4.18Å; Y103-Y105 HydrophobicContact CG-CE2 4.05Å; Y103-Y105 AromaticContact CG-CZ 3.63Å; Y103-Y105 PolarHBondContact O-N 2.65Å; Y105-A107 VanDerWaalsContact C-N 3.26Å; Y105-A107 PolarHBondContact O-N 3.39Å; Y105-A107 VanDerWaalsContact O-N 3.14Å; Y105-L383 HydrophobicContact CD1-CD2 3.43Å; Y105-L383 VanDerWaalsContact CD1-CD2 3.43Å; Y105-L383 HydrophobicContact CE1-CD2 3.56Å; Y105-L383 HydrophobicContact CG-CD2 4.4Å; Y105-Y387 HydrophobicContact CE1-CE1 4.42Å; Y105-Y387 WeakPolarHBondContact CE1-OH 3.47Å; Y105-Y387 VanDerWaalsContact CZ-OH 3.29Å; Y105-Y387 PolarHBondContact OH-OH 2.97Å
106M86.3Confident89.6Confident80 Ų8049 Ų4939%0.39424%0.242SC..  trans-87.468172.4-67.3-61.8-163.800109Y103 H108 H109Y103-M106 HydrophobicContact CD2-CG 4.23Å; Y103-M106 PolarHBondContact O-N 3.14Å; M106-H108 PolarHBondContact O-N 3.45Å; M106-H109 HydrophobicContact CB-CB 4.06Å; M106-H109 WeakPolarHBondContact O-CA 3.46Å; M106-H109 WeakPolarHBondContact O-CB 3.42Å; M106-H109 PolarHBondContact O-N 3.11Å
107A79.8Confident89.6Confident69 Ų6945.5 Ų45.557%0.5723%0.229SC*.THydrogen-bonded Turntrans-58-26.9-171.900000114.3Y105 H109Y105-A107 VanDerWaalsContact C-N 3.26Å; Y105-A107 PolarHBondContact O-N 3.39Å; Y105-A107 VanDerWaalsContact O-N 3.14Å; A107-H109 PolarHBondContact O-N 3.13Å
108H79.4Confident89.6Confident182 Ų18238.3 Ų38.384%0.84320%0.202SC*.THydrogen-bonded Turntrans-75.8-10.6175.2-61.2-61.7000113.5M106M106-H108 PolarHBondContact O-N 3.45Å
109H85.4Confident89.7Confident48 Ų4838.2 Ų38.222%0.22220%0.201CC..SBendtrans-106.996.4176.7-63.3-165.3000108.7M106 A107 D111 Y141 Y148M106-H109 HydrophobicContact CB-CB 4.06Å; M106-H109 WeakPolarHBondContact O-CA 3.46Å; M106-H109 WeakPolarHBondContact O-CB 3.42Å; M106-H109 PolarHBondContact O-N 3.11Å; A107-H109 PolarHBondContact O-N 3.13Å; H109-D111 PolarHBondContact O-N 2.94Å; H109-D111 VanDerWaalsContact O-N 3.16Å; H109-Y141 VanDerWaalsContact CA-CZ 3.48Å; H109-Y141 WeakPolarHBondContact CA-OH 3.29Å; H109-Y141 HydrophobicContact CB-CD2 4.27Å; H109-Y141 HydrophobicContact CB-CE1 3.98Å; H109-Y141 HydrophobicContact CB-CE2 3.62Å; H109-Y141 VanDerWaalsContact CB-CZ 3.47Å; H109-Y141 AromaticContact CD2-CD1 3.59Å; H109-Y141 AromaticContact CD2-CE1 3.62Å; H109-Y141 AromaticContact CD2-CG 3.95Å; H109-Y141 AromaticContact CE1-CD1 3.95Å; H109-Y141 AromaticContact CE1-CD2 3.83Å; H109-Y141 AromaticContact CE1-CG 3.55Å; H109-Y141 AromaticContact CG-CD1 3.85Å; H109-Y141 AromaticContact CG-CD2 3.79Å; H109-Y141 AromaticContact CG-CE1 3.7Å; H109-Y141 AromaticContact CG-CE2 3.65Å; H109-Y141 AromaticContact CG-CG 3.89Å; H109-Y141 AromaticContact CG-CZ 3.61Å; H109-Y141 AromaticContact ND1-CD2 3.42Å; H109-Y141 WeakPolarHBondContact ND1-CD2 3.46Å; H109-Y141 AromaticContact ND1-CE2 3.7Å; H109-Y141 AromaticContact ND1-CG 3.61Å; H109-Y141 AromaticContact NE2-CD1 3.72Å; H109-Y141 AromaticContact NE2-CG 3.79Å; H109-Y148 AromaticContact CE1-CE2 3.69Å; H109-Y148 AromaticContact ND1-CE2 3.26Å; H109-Y148 VanDerWaalsContact ND1-CE2 3.26Å; H109-Y148 WeakPolarHBondContact ND1-CE2 3.26Å; H109-Y148 AromaticContact ND1-CZ 3.34Å; H109-Y148 VanDerWaalsContact ND1-CZ 3.34Å; H109-Y148 PolarHBondContact ND1-OH 2.85Å
110G82.4Confident89.8Confident32 Ų3236.6 Ų36.633%0.3319%0.188SC..THydrogen-bonded Turntrans-69.7-11.6-164.900000116.2W112 F113 G114 Y141G110-W112 VanDerWaalsContact C-N 3.28Å; G110-W112 PolarHBondContact O-N 2.94Å; G110-F113 PolarHBondContact O-N 2.73Å; G110-F113 VanDerWaalsContact O-N 3.11Å; G110-G114 PolarHBondContact O-N 3.04Å; G110-Y141 PolarHBondContact N-OH 3.05Å; G110-Y141 VanDerWaalsContact N-OH 3.1Å
111D89.3Confident90Very high3 Ų336.2 Ų36.22%0.01619%0.187CC..Hα-helixtrans-55.6-39.1-171-59.9-108.5000113.6N101 H109 F113 G114 G115 K116 H138 A139 Y141N101-D111 CarbonylContact O-C 3.46Å; N101-D111 VanDerWaalsContact O-CB 3.27Å; N101-D111 WeakPolarHBondContact O-CB 3.24Å; H109-D111 PolarHBondContact O-N 2.94Å; H109-D111 VanDerWaalsContact O-N 3.16Å; D111-F113 VanDerWaalsContact C-N 3.32Å; D111-F113 PolarHBondContact O-N 2.92Å; D111-G114 PolarHBondContact O-N 3.28Å; D111-G115 PolarHBondContact O-N 2.89Å; D111-K116 HydrophobicContact CB-CG 4.28Å; D111-K116 WeakPolarHBondContact OD1-CE 3.48Å; D111-K116 IonicContact OD1-NZ 2.93Å; D111-K116 PolarHBondContact OD1-NZ 3.4Å; D111-H138 WeakPolarHBondContact OD1-CA 3.41Å; D111-H138 IonicContact OD1-CD2 3.89Å; D111-H138 IonicContact OD1-CE1 3.09Å; D111-H138 IonicContact OD1-CG 2.95Å; D111-H138 IonicContact OD1-ND1 3.81Å; D111-H138 IonicContact OD2-CE1 3.52Å; D111-A139 PolarHBondContact OD1-N 2.85Å; D111-Y141 WeakPolarHBondContact OD2-CE2 3.41Å; D111-Y141 VanDerWaalsContact OD2-CZ 3.23Å; D111-Y141 PolarHBondContact OD2-OH 2.94Å
112W87.9Confident90.3Very high94 Ų9437.6 Ų37.636%0.35619%0.193SC..Hα-helixtrans-66.7-39.2-177.1-175.389.7000111N101 G102 P104 G110 F386N101-W112 WeakPolarHBondContact O-CA 3.35Å; N101-W112 PolarHBondContact O-N 3.09Å; G102-W112 VanDerWaalsContact O-CD1 3.31Å; P104-W112 HydrophobicContact CB-CD2 3.7Å; P104-W112 HydrophobicContact CB-CE3 3.87Å; P104-W112 HydrophobicContact CB-CG 4.27Å; P104-W112 HydrophobicContact CB-CH2 4.08Å; P104-W112 HydrophobicContact CB-CZ2 3.9Å; P104-W112 HydrophobicContact CB-CZ3 4.06Å; P104-W112 HydrophobicContact CG-CZ2 4.41Å; G110-W112 VanDerWaalsContact C-N 3.28Å; G110-W112 PolarHBondContact O-N 2.94Å; W112-F386 AromaticContact NE1-CE2 3.72Å
113F85.6Confident90.5Very high60 Ų6037.5 Ų37.526%0.26319%0.192SC..Hα-helixtrans-73-36.7177.9-58.5-77000111.7V77 I78 G110 D111 G115V77-F113 PolarHBondContact N-O 3.39Å; I78-F113 HydrophobicContact CD1-CB 4.06Å; I78-F113 HydrophobicContact CG1-CB 4.22Å; I78-F113 HydrophobicContact CG2-CB 4.32Å; I78-F113 PolarHBondContact N-O 2.94Å; G110-F113 PolarHBondContact O-N 2.73Å; G110-F113 VanDerWaalsContact O-N 3.11Å; D111-F113 VanDerWaalsContact C-N 3.32Å; D111-F113 PolarHBondContact O-N 2.92Å; F113-G115 VanDerWaalsContact C-N 3.35Å
114G84.9Confident90.8Very high0 Ų039.8 Ų39.80%021%0.206CC..Hα-helixtrans-66.7-35.2176.100000112.8G79 G110 D111G79-G114 CarbonylContact C-O 3.6Å; G79-G114 CarbonylContact O-C 3.47Å; G79-G114 WeakPolarHBondContact O-CA 3.3Å; G110-G114 PolarHBondContact O-N 3.04Å; D111-G114 PolarHBondContact O-N 3.28Å
115G90.3Very high91.1Very high1 Ų137.9 Ų37.91%0.0119%0.193CC..THydrogen-bonded Turntrans61.566.3-175.200000110.5S75 D111 F113S75-G115 WeakPolarHBondContact CB-O 3.21Å; S75-G115 PolarHBondContact OG-O 2.76Å; D111-G115 PolarHBondContact O-N 2.89Å; F113-G115 VanDerWaalsContact C-N 3.35Å
116K94.8Very high91.2Very high7 Ų736.7 Ų36.73%0.0320%0.203CC..  trans-47.1145.7179.8-58.7-70.8-166.9166.10111.5Y98 N101 D111 H136 L137Y98-K116 HydrophobicContact CD2-CB 3.93Å; Y98-K116 VanDerWaalsContact CD2-O 3.28Å; Y98-K116 WeakPolarHBondContact CD2-O 3.23Å; Y98-K116 HydrophobicContact CE2-CB 4.48Å; Y98-K116 PolarHBondContact N-O 3.35Å; N101-K116 VanDerWaalsContact OD1-CB 3.32Å; N101-K116 WeakPolarHBondContact OD1-CB 3.36Å; N101-K116 PolarHBondContact OD1-N 2.91Å; N101-K116 PolarHBondContact OD1-O 3.04Å; D111-K116 HydrophobicContact CB-CG 4.28Å; D111-K116 WeakPolarHBondContact OD1-CE 3.48Å; D111-K116 IonicContact OD1-NZ 2.93Å; D111-K116 PolarHBondContact OD1-NZ 3.4Å; K116-H136 WeakPolarHBondContact CB-O 3.26Å; K116-H136 HydrophobicContact CD-CB 4.45Å; K116-H136 WeakPolarHBondContact CD-O 3.41Å; K116-H136 PolarHBondContact NZ-CD2 3.02Å; K116-H136 PolarHBondContact NZ-CE1 2.84Å; K116-H136 PolarHBondContact NZ-ND1 3.22Å; K116-H136 PolarHBondContact NZ-NE2 2.74Å; K116-L137 WeakPolarHBondContact CE-O 3.38Å; K116-L137 PolarHBondContact NZ-O 2.93Å
117A97.6Very high91.5Very high0 Ų035.5 Ų35.50%021%0.211CC..EExtended strand (participates in β ladder)trans-158.4173.1-166.200000112.1L82 L95 Y96 Y98 T135 H136L82-A117 HydrophobicContact CD1-CB 4.2Å; L82-A117 WeakPolarHBondContact CD1-O 3.18Å; L95-A117 HydrophobicContact CD1-CB 3.64Å; Y96-A117 CarbonylContact O-C 3.5Å; Y96-A117 VanDerWaalsContact O-CA 3.24Å; Y96-A117 WeakPolarHBondContact O-CA 3.35Å; Y96-A117 VanDerWaalsContact O-CB 3.25Å; Y96-A117 WeakPolarHBondContact O-CB 3.37Å; Y98-A117 VanDerWaalsContact CE2-CA 3.48Å; Y98-A117 WeakPolarHBondContact CE2-O 3.22Å; A117-T135 PolarHBondContact O-OG1 2.91Å; A117-H136 PolarHBondContact O-N 2.8Å
118V98.7Very high92.1Very high0 Ų033.1 Ų33.10%019%0.188CC..EExtended strand (participates in β ladder)trans-118.2127.5160.1540000109.4L95 Y96 Y98 Y133 V134 L159 F162L95-V118 WeakPolarHBondContact CD1-O 3.39Å; Y96-V118 HydrophobicContact CD1-CG1 4.26Å; Y96-V118 PolarHBondContact N-O 2.88Å; Y96-V118 PolarHBondContact O-N 3.29Å; Y98-V118 HydrophobicContact CE1-CG1 4.24Å; Y98-V118 WeakPolarHBondContact OH-CB 3.48Å; V118-Y133 HydrophobicContact CG2-CD1 4.02Å; V118-V134 CarbonylContact C-O 3.58Å; V118-V134 WeakPolarHBondContact CA-O 3.47Å; V118-L159 HydrophobicContact CB-CD1 3.85Å; V118-L159 HydrophobicContact CG1-CD1 4.05Å; V118-L159 HydrophobicContact CG2-CD1 3.75Å; V118-F162 HydrophobicContact CG1-CB 4.45Å; V118-F162 HydrophobicContact CG1-CD1 3.49Å; V118-F162 VanDerWaalsContact CG1-CD1 3.49Å; V118-F162 HydrophobicContact CG1-CE1 3.82Å; V118-F162 HydrophobicContact CG1-CG 3.98Å; V118-F162 HydrophobicContact CG2-CD1 4.18Å; V118-F162 HydrophobicContact CG2-CE1 4.19Å
119G98.6Very high93Very high0 Ų027 Ų270%016%0.164CC..EExtended strand (participates in β ladder)trans-98.9135.116900000110.1F73 Y133 V134F73-G119 VanDerWaalsContact CE1-CA 3.47Å; G119-Y133 CarbonylContact O-C 3.5Å; G119-Y133 VanDerWaalsContact O-CA 3.26Å; G119-Y133 WeakPolarHBondContact O-CA 3.43Å; G119-V134 PolarHBondContact N-O 2.85Å; G119-V134 PolarHBondContact O-N 3.14Å
120M98.6Very high93.6Very high12 Ų1224.7 Ų24.76%0.05915%0.153CC..EExtended strand (participates in β ladder)trans-114143.2174.9175.8-178.4152.600109.8T93 F94 I122 N131 V132 Y133 F162 T166T93-M120 CarbonylContact C-O 3.51Å; T93-M120 WeakPolarHBondContact CA-O 3.26Å; F94-M120 HydrophobicContact CB-CB 4.42Å; F94-M120 PolarHBondContact N-O 2.76Å; F94-M120 PolarHBondContact O-N 3.34Å; M120-I122 HydrophobicContact CE-CD1 3.73Å; M120-I122 HydrophobicContact CE-CG1 3.43Å; M120-I122 VanDerWaalsContact CE-CG1 3.43Å; M120-N131 HydrophobicContact CE-CB 4.13Å; M120-N131 VanDerWaalsContact CE-CG 3.46Å; M120-N131 WeakPolarHBondContact CE-ND2 3.43Å; M120-V132 CarbonylContact C-O 3.51Å; M120-V132 WeakPolarHBondContact CA-O 3.37Å; M120-Y133 HydrophobicContact CB-CD1 3.74Å; M120-Y133 HydrophobicContact CB-CE1 3.76Å; M120-Y133 HydrophobicContact CG-CD1 3.94Å; M120-Y133 HydrophobicContact CG-CE1 3.56Å; M120-Y133 HydrophobicContact SD-CD1 4.42Å; M120-Y133 HydrophobicContact SD-CE1 3.48Å; M120-Y133 WeakPolarHBondContact SD-CE1 3.49Å; M120-F162 HydrophobicContact CB-CE1 3.99Å; M120-F162 HydrophobicContact CB-CZ 4.21Å; M120-T166 HydrophobicContact SD-CG2 4.22Å
121A98.7Very high94.3Very high0 Ų023.5 Ų23.50%014%0.139CC..EExtended strand (participates in β ladder)trans-130.9139.716800000110.2I84 I90 D92 T93 V132I84-A121 HydrophobicContact CD1-CB 3.75Å; I90-A121 HydrophobicContact CG2-CB 4.1Å; D92-A121 CarbonylContact O-C 3.6Å; D92-A121 WeakPolarHBondContact O-CA 3.14Å; T93-A121 HydrophobicContact CG2-CB 4.39Å; A121-V132 PolarHBondContact N-O 3.32Å; A121-V132 PolarHBondContact O-N 2.82Å
122I98.6Very high94.8Very high44 Ų4423.3 Ų23.323%0.22614%0.138CC..EExtended strand (participates in β ladder)trans-98.3122.3172.5-55.6-177.1000108.8H91 D92 M120 T129H91-I122 PolarHBondContact N-O 2.96Å; D92-I122 HydrophobicContact CB-CB 4.43Å; D92-I122 HydrophobicContact CB-CD1 4.12Å; D92-I122 HydrophobicContact CB-CG1 4.34Å; D92-I122 PolarHBondContact O-N 2.99Å; M120-I122 HydrophobicContact CE-CD1 3.73Å; M120-I122 HydrophobicContact CE-CG1 3.43Å; M120-I122 VanDerWaalsContact CE-CG1 3.43Å; I122-T129 HydrophobicContact CG2-CG2 3.88Å
123L98.1Very high95.3Very high1 Ų118.9 Ų18.91%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-118154.9177.7-49.4-177.9000110.5I44 A86 H88 I90 I125 A130 V132I44-L123 HydrophobicContact CD1-CD1 3.89Å; I44-L123 HydrophobicContact CG1-CD1 3.87Å; A86-L123 HydrophobicContact CB-CD1 4.27Å; A86-L123 HydrophobicContact CB-CD2 4.49Å; H88-L123 HydrophobicContact CB-CB 4.35Å; H88-L123 HydrophobicContact CB-CD1 4.46Å; I90-L123 HydrophobicContact CB-CD2 4.19Å; I90-L123 HydrophobicContact CG1-CD2 3.63Å; L123-I125 HydrophobicContact CB-CG1 4.32Å; L123-A130 HydrophobicContact CB-CB 4.47Å; L123-A130 PolarHBondContact N-O 2.99Å; L123-A130 PolarHBondContact O-N 2.76Å; L123-V132 HydrophobicContact CD1-CB 4.48Å; L123-V132 HydrophobicContact CD1-CG2 3.67Å; L123-V132 HydrophobicContact CG-CG2 4.04Å
124N95.7Very high95.9Very high69 Ų6916 Ų1637%0.36911%0.109SC..EExtended strand (participates in β ladder)trans-104.3117.3163.8-172.2-63.8000109.5H88 G127 L128H88-N124 PolarHBondContact ND1-O 2.79Å; N124-G127 WeakPolarHBondContact OD1-CA 3.5Å; N124-G127 PolarHBondContact OD1-N 2.93Å; N124-L128 WeakPolarHBondContact CA-O 3.43Å
125I94.1Very high96.6Very high1 Ų116 Ų161%0.00511%0.109CC..EExtended strand (participates in β ladder)trans-117.3104.1178.9-53.5177.4000107.6V7 V9 I44 L123 G127 L128 A130 L281V7-I125 HydrophobicContact CG1-CG2 4.42Å; V9-I125 HydrophobicContact CG1-CD1 4.34Å; V9-I125 HydrophobicContact CG2-CD1 4.43Å; V9-I125 HydrophobicContact CG2-CG2 3.61Å; I44-I125 HydrophobicContact CD1-CD1 3.89Å; L123-I125 HydrophobicContact CB-CG1 4.32Å; I125-G127 VanDerWaalsContact C-N 3.26Å; I125-G127 PolarHBondContact O-N 3.37Å; I125-L128 PolarHBondContact N-O 2.88Å; I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 3.48Å; I125-A130 HydrophobicContact CD1-CB 3.6Å; I125-A130 HydrophobicContact CG1-CB 4.01Å; I125-L281 HydrophobicContact CB-CD1 4.47Å; I125-L281 HydrophobicContact CG2-CD1 3.89Å
126A90.6Very high97Very high68 Ų6816 Ų1656%0.56211%0.109SC*.THydrogen-bonded Turntrans50.144-179.500000113.9V7 L128V7-A126 HydrophobicContact CB-CB 4.23Å; V7-A126 HydrophobicContact CG1-CB 3.99Å; V7-A126 HydrophobicContact CG2-CB 3.54Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 3.42Å
127G91.6Very high97.1Very high54 Ų5415.8 Ų15.856%0.55711%0.108SC*.THydrogen-bonded Turntrans86.8-11.6-18000000114.7N124 I125N124-G127 WeakPolarHBondContact OD1-CA 3.5Å; N124-G127 PolarHBondContact OD1-N 2.93Å; I125-G127 VanDerWaalsContact C-N 3.26Å; I125-G127 PolarHBondContact O-N 3.37Å
128L94.1Very high97.1Very high20 Ų2015.8 Ų15.811%0.10511%0.108CC..EExtended strand (participates in β ladder)trans-89.2138176.8-58.2172.2000111.1N124 I125 A126 A130 D171 V172 A248 L281N124-L128 WeakPolarHBondContact CA-O 3.43Å; I125-L128 PolarHBondContact N-O 2.88Å; I125-L128 WeakPolarHBondContact O-CB 3.42Å; I125-L128 PolarHBondContact O-N 3.48Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 3.42Å; L128-A130 PolarHBondContact O-N 3.06Å; L128-D171 HydrophobicContact CB-CB 4.03Å; L128-D171 HydrophobicContact CD2-CB 4.06Å; L128-V172 HydrophobicContact CB-CG2 4.5Å; L128-V172 HydrophobicContact CD1-CG2 4.31Å; L128-A248 HydrophobicContact CD1-CB 4.13Å; L128-A248 HydrophobicContact CD2-CB 4.2Å; L128-L281 HydrophobicContact CD1-CB 4.23Å; L128-L281 HydrophobicContact CD1-CD1 4.35Å
129T96.8Very high96.9Very high52 Ų5216.7 Ų16.732%0.31912%0.115SC..EExtended strand (participates in β ladder)trans-81.3111.9174-56.80000109.3I122 D171 V172I122-T129 HydrophobicContact CG2-CG2 3.88Å; T129-D171 PolarHBondContact N-OD2 3.03Å; T129-D171 PolarHBondContact O-N 2.93Å; T129-V172 PolarHBondContact O-N 2.92Å; T129-V172 VanDerWaalsContact O-N 3.14Å
130A97.9Very high96.7Very high1 Ų119.1 Ų19.11%0.00813%0.127CC..EExtended strand (participates in β ladder)trans-106.1119.817900000110.7L123 I125 L128 V132 V172L123-A130 HydrophobicContact CB-CB 4.47Å; L123-A130 PolarHBondContact N-O 2.99Å; L123-A130 PolarHBondContact O-N 2.76Å; I125-A130 HydrophobicContact CD1-CB 3.6Å; I125-A130 HydrophobicContact CG1-CB 4.01Å; L128-A130 PolarHBondContact O-N 3.06Å; A130-V132 HydrophobicContact CB-CG2 4.44Å; A130-V172 CarbonylContact C-O 3.58Å; A130-V172 WeakPolarHBondContact CA-O 3.33Å; A130-V172 HydrophobicContact CB-CB 4.18Å
131N98.6Very high96.2Very high6 Ų622.8 Ų22.83%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-91.3115.9167.2-71.610.1000108.8M120 Y133 T166 A170 V172 V173 I174M120-N131 HydrophobicContact CE-CB 4.13Å; M120-N131 VanDerWaalsContact CE-CG 3.46Å; M120-N131 WeakPolarHBondContact CE-ND2 3.43Å; N131-Y133 HydrophobicContact CB-CE2 3.56Å; N131-Y133 WeakPolarHBondContact CB-OH 3.21Å; N131-Y133 PolarHBondContact ND2-OH 2.81Å; N131-Y133 WeakPolarHBondContact O-CE2 3.32Å; N131-T166 PolarHBondContact ND2-O 3.36Å; N131-A170 HydrophobicContact CB-CB 4.01Å; N131-V172 PolarHBondContact N-O 2.83Å; N131-V173 WeakPolarHBondContact O-CA 3.42Å; N131-I174 PolarHBondContact O-N 3Å
132V98.9Very high95.7Very high0 Ų025 Ų250%016%0.156CC..EExtended strand (participates in β ladder)trans-109.9127.6-177-1780000109I44 L46 M120 A121 L123 A130 I174I44-V132 HydrophobicContact CD1-CG2 3.95Å; I44-V132 HydrophobicContact CG2-CG1 3.79Å; L46-V132 HydrophobicContact CD1-CG1 4.25Å; L46-V132 HydrophobicContact CD2-CG1 3.58Å; M120-V132 CarbonylContact C-O 3.51Å; M120-V132 WeakPolarHBondContact CA-O 3.37Å; A121-V132 PolarHBondContact N-O 3.32Å; A121-V132 PolarHBondContact O-N 2.82Å; L123-V132 HydrophobicContact CD1-CB 4.48Å; L123-V132 HydrophobicContact CD1-CG2 3.67Å; L123-V132 HydrophobicContact CG-CG2 4.04Å; A130-V132 HydrophobicContact CB-CG2 4.44Å; V132-I174 CarbonylContact C-O 3.57Å; V132-I174 VanDerWaalsContact CA-O 3.31Å; V132-I174 WeakPolarHBondContact CA-O 3.16Å; V132-I174 HydrophobicContact CG2-CB 4.48Å
133Y98.9Very high95.2Very high0 Ų026.8 Ų26.80%016%0.16CC..EExtended strand (participates in β ladder)trans-118.1135.3-177-54.9-98.4000109.9V118 G119 M120 N131 F162 I163 T166 V173 I174 V175 G176V118-Y133 HydrophobicContact CG2-CD1 4.02Å; G119-Y133 CarbonylContact O-C 3.5Å; G119-Y133 VanDerWaalsContact O-CA 3.26Å; G119-Y133 WeakPolarHBondContact O-CA 3.43Å; M120-Y133 HydrophobicContact CB-CD1 3.74Å; M120-Y133 HydrophobicContact CB-CE1 3.76Å; M120-Y133 HydrophobicContact CG-CD1 3.94Å; M120-Y133 HydrophobicContact CG-CE1 3.56Å; M120-Y133 HydrophobicContact SD-CD1 4.42Å; M120-Y133 HydrophobicContact SD-CE1 3.48Å; M120-Y133 WeakPolarHBondContact SD-CE1 3.49Å; N131-Y133 HydrophobicContact CB-CE2 3.56Å; N131-Y133 WeakPolarHBondContact CB-OH 3.21Å; N131-Y133 PolarHBondContact ND2-OH 2.81Å; N131-Y133 WeakPolarHBondContact O-CE2 3.32Å; Y133-F162 HydrophobicContact CD1-CD1 4.13Å; Y133-F162 AromaticContact CD1-CE1 3.86Å; Y133-F162 HydrophobicContact CD1-CE1 3.86Å; Y133-F162 AromaticContact CE1-CD1 3.99Å; Y133-F162 HydrophobicContact CE1-CD1 3.99Å; Y133-F162 AromaticContact CE1-CE1 3.71Å; Y133-F162 HydrophobicContact CE1-CE1 3.71Å; Y133-I163 HydrophobicContact CD1-CG1 4.15Å; Y133-I163 HydrophobicContact CE1-CG1 4.19Å; Y133-I163 HydrophobicContact CG-CG1 4.33Å; Y133-T166 WeakPolarHBondContact CE1-OG1 3.41Å; Y133-T166 PolarHBondContact OH-OG1 3.48Å; Y133-V173 HydrophobicContact CD2-CG1 4.13Å; Y133-V173 HydrophobicContact CE2-CG1 3.81Å; Y133-I174 WeakPolarHBondContact CD2-O 3.22Å; Y133-I174 PolarHBondContact N-O 3.2Å; Y133-V175 HydrophobicContact CD2-CG2 3.9Å; Y133-V175 HydrophobicContact CG-CG2 4.26Å; Y133-V175 CarbonylContact O-C 3.21Å; Y133-V175 WeakPolarHBondContact O-CA 3.31Å; Y133-G176 PolarHBondContact O-N 2.91Å
134V98.9Very high94.7Very high0 Ų034.8 Ų34.80%020%0.197CC..EExtended strand (participates in β ladder)trans-115.9130.9167.664.20000108.6L46 Q48 F73 L82 I84 V118 G119 G176L46-V134 HydrophobicContact CB-CB 4.3Å; L46-V134 HydrophobicContact CB-CG2 3.98Å; L46-V134 HydrophobicContact CD2-CB 4.32Å; Q48-V134 HydrophobicContact CG-CG2 4.4Å; Q48-V134 VanDerWaalsContact NE2-CG2 3.32Å; F73-V134 HydrophobicContact CD2-CG1 4.03Å; F73-V134 HydrophobicContact CE2-CG1 3.72Å; L82-V134 HydrophobicContact CB-CG1 3.9Å; L82-V134 HydrophobicContact CB-CG2 4.49Å; L82-V134 HydrophobicContact CD1-CG1 4.44Å; L82-V134 HydrophobicContact CD2-CG2 4.23Å; I84-V134 HydrophobicContact CD1-CB 4.33Å; I84-V134 HydrophobicContact CD1-CG1 3.86Å; I84-V134 HydrophobicContact CG1-CB 4.14Å; I84-V134 HydrophobicContact CG1-CG1 3.73Å; V118-V134 CarbonylContact C-O 3.58Å; V118-V134 WeakPolarHBondContact CA-O 3.47Å; G119-V134 PolarHBondContact N-O 2.85Å; G119-V134 PolarHBondContact O-N 3.14Å; V134-G176 VanDerWaalsContact CA-O 3.27Å; V134-G176 WeakPolarHBondContact CA-O 3.4Å
135T98.8Very high94.3Very high0 Ų039.6 Ų39.60%022%0.215CC..EExtended strand (participates in β ladder)trans-138.5154.9-179.3-175.90000111.3Q48 Y98 A117 L159 V175 G176 G177 D178 L179Q48-T135 WeakPolarHBondContact CG-O 3.31Å; Y98-T135 PolarHBondContact OH-OG1 2.72Å; A117-T135 PolarHBondContact O-OG1 2.91Å; T135-L159 HydrophobicContact CG2-CD2 3.99Å; T135-V175 HydrophobicContact CG2-CG1 4.38Å; T135-G176 PolarHBondContact N-O 2.87Å; T135-G176 VanDerWaalsContact N-O 3.09Å; T135-G177 WeakPolarHBondContact O-CA 3.3Å; T135-D178 PolarHBondContact O-N 3.44Å; T135-L179 HydrophobicContact CG2-CD2 3.73Å
136H98.3Very high94.2Very high2 Ų241.3 Ų41.31%0.00922%0.224CC..EExtended strand (participates in β ladder)trans-139.4112.9166.8-173.9178.1000107.2Q48 E49 L82 K116 A117 D178 N180Q48-H136 HydrophobicContact CB-CB 4.21Å; Q48-H136 HydrophobicContact CG-CB 4.1Å; E49-H136 VanDerWaalsContact CG-CE1 3.43Å; E49-H136 WeakPolarHBondContact CG-CE1 3.39Å; E49-H136 IonicContact OE1-CE1 3.24Å; E49-H136 PolarHBondContact OE1-CE1 3.27Å; E49-H136 VanDerWaalsContact OE1-CE1 3.26Å; L82-H136 HydrophobicContact CD2-CB 3.73Å; K116-H136 WeakPolarHBondContact CB-O 3.26Å; K116-H136 HydrophobicContact CD-CB 4.45Å; K116-H136 WeakPolarHBondContact CD-O 3.41Å; K116-H136 PolarHBondContact NZ-CD2 3.02Å; K116-H136 PolarHBondContact NZ-CE1 2.84Å; K116-H136 PolarHBondContact NZ-ND1 3.22Å; K116-H136 PolarHBondContact NZ-NE2 2.74Å; A117-H136 PolarHBondContact O-N 2.8Å; H136-D178 CarbonylContact C-O 3.13Å; H136-D178 VanDerWaalsContact CA-O 3.27Å; H136-D178 WeakPolarHBondContact CA-O 3.45Å; H136-D178 IonicContact CD2-OD2 3.19Å; H136-D178 IonicContact CE1-OD2 3.46Å; H136-D178 IonicContact NE2-OD2 3.22Å; H136-D178 PolarHBondContact NE2-OD2 2.86Å; H136-N180 PolarHBondContact CD2-ND2 3.4Å; H136-N180 VanDerWaalsContact CD2-ND2 3.33Å; H136-N180 PolarHBondContact NE2-ND2 2.85Å
137L97.8Very high94.2Very high1 Ų141 Ų411%0.00522%0.218CC..PPolyproline II helixtrans-80.5171.2177.3-60.7-172.5000111.2Y98 K116 Q155 L159 D178 L179 N180 M181Y98-L137 HydrophobicContact CD2-CD2 4.34Å; Y98-L137 HydrophobicContact CE1-CD2 4.44Å; Y98-L137 HydrophobicContact CE2-CD2 3.5Å; Y98-L137 WeakPolarHBondContact OH-CD2 3.14Å; K116-L137 WeakPolarHBondContact CE-O 3.38Å; K116-L137 PolarHBondContact NZ-O 2.93Å; L137-Q155 HydrophobicContact CD2-CB 3.81Å; L137-L159 HydrophobicContact CD2-CD2 4.37Å; L137-D178 PolarHBondContact N-O 2.84Å; L137-L179 WeakPolarHBondContact CB-O 3Å; L137-L179 HydrophobicContact CD1-CB 4.15Å; L137-L179 HydrophobicContact CD1-CD2 3.91Å; L137-L179 HydrophobicContact CG-CD2 4.1Å; L137-N180 PolarHBondContact O-ND2 3.39Å; L137-M181 HydrophobicContact CD1-CE 3.39Å
138H96.9Very high94.4Very high1 Ų138.6 Ų38.61%0.00519%0.192CC..PPolyproline II helixtrans-59.4139.5179.4-167.2-62.7000110N101 G102 D111 Y141 Y148 R152 N180N101-H138 VanDerWaalsContact C-CD2 3.45Å; G102-H138 WeakPolarHBondContact CA-NE2 3.4Å; G102-H138 PolarHBondContact N-NE2 2.83Å; D111-H138 WeakPolarHBondContact OD1-CA 3.41Å; D111-H138 IonicContact OD1-CD2 3.89Å; D111-H138 IonicContact OD1-CE1 3.09Å; D111-H138 IonicContact OD1-CG 2.95Å; D111-H138 IonicContact OD1-ND1 3.81Å; D111-H138 IonicContact OD2-CE1 3.52Å; H138-Y141 AromaticContact CE1-CE2 3.87Å; H138-Y148 AromaticContact CE1-CD1 3.24Å; H138-Y148 WeakPolarHBondContact CE1-CD1 3.43Å; H138-Y148 AromaticContact CE1-CD2 3.82Å; H138-Y148 AromaticContact CE1-CE1 3.7Å; H138-Y148 AromaticContact CE1-CG 3.29Å; H138-Y148 AromaticContact ND1-CG 3.88Å; H138-Y148 AromaticContact NE2-CD1 3.29Å; H138-Y148 VanDerWaalsContact NE2-CD1 3.29Å; H138-Y148 WeakPolarHBondContact NE2-CD1 3.23Å; H138-Y148 AromaticContact NE2-CE1 3.67Å; H138-Y148 AromaticContact NE2-CG 3.83Å; H138-R152 HydrophobicContact CB-CG 3.82Å; H138-R152 WeakPolarHBondContact O-CD 3.42Å; H138-R152 WeakPolarHBondContact O-CG 3.49Å; H138-N180 WeakPolarHBondContact O-CB 3.28Å
139A94.6Very high94.5Very high19 Ų1940.1 Ų40.116%0.15720%0.2CC..PPolyproline II helixtrans-68.4147179.300000112.7D111 Y141D111-A139 PolarHBondContact OD1-N 2.85Å; A139-Y141 HydrophobicContact CB-CD2 4.29Å; A139-Y141 HydrophobicContact CB-CE2 3.77Å
140E93.6Very high94.5Very high51 Ų5138.1 Ų38.124%0.23819%0.188CC..  trans-90.696.7168.2-177.8173.5-102.200109.4S142 R143 R152E140-S142 VanDerWaalsContact C-N 3.34Å; E140-R143 WeakPolarHBondContact OE1-CD 3.13Å; E140-R143 IonicContact OE1-CZ 3.98Å; E140-R143 IonicContact OE1-NH1 3.25Å; E140-R143 PolarHBondContact OE1-NH1 2.98Å; E140-R143 WeakPolarHBondContact OE2-CD 3.3Å; E140-R143 IonicContact OE2-NH1 3.19Å; E140-R143 PolarHBondContact OE2-NH1 3.33Å; E140-R152 IonicContact OE1-CZ 3.49Å; E140-R152 IonicContact OE1-NH2 3.93Å; E140-R152 PolarHBondContact OE1-NH2 3.22Å
141Y89.4Confident94.5Very high88 Ų8838.1 Ų38.135%0.34519%0.188SC..SBendtrans-76.2-20.3-178.5-70.8-83.5000114H109 G110 D111 H138 A139 Y148H109-Y141 VanDerWaalsContact CA-CZ 3.48Å; H109-Y141 WeakPolarHBondContact CA-OH 3.29Å; H109-Y141 HydrophobicContact CB-CD2 4.27Å; H109-Y141 HydrophobicContact CB-CE1 3.98Å; H109-Y141 HydrophobicContact CB-CE2 3.62Å; H109-Y141 VanDerWaalsContact CB-CZ 3.47Å; H109-Y141 AromaticContact CD2-CD1 3.59Å; H109-Y141 AromaticContact CD2-CE1 3.62Å; H109-Y141 AromaticContact CD2-CG 3.95Å; H109-Y141 AromaticContact CE1-CD1 3.95Å; H109-Y141 AromaticContact CE1-CD2 3.83Å; H109-Y141 AromaticContact CE1-CG 3.55Å; H109-Y141 AromaticContact CG-CD1 3.85Å; H109-Y141 AromaticContact CG-CD2 3.79Å; H109-Y141 AromaticContact CG-CE1 3.7Å; H109-Y141 AromaticContact CG-CE2 3.65Å; H109-Y141 AromaticContact CG-CG 3.89Å; H109-Y141 AromaticContact CG-CZ 3.61Å; H109-Y141 AromaticContact ND1-CD2 3.42Å; H109-Y141 WeakPolarHBondContact ND1-CD2 3.46Å; H109-Y141 AromaticContact ND1-CE2 3.7Å; H109-Y141 AromaticContact ND1-CG 3.61Å; H109-Y141 AromaticContact NE2-CD1 3.72Å; H109-Y141 AromaticContact NE2-CG 3.79Å; G110-Y141 PolarHBondContact N-OH 3.05Å; G110-Y141 VanDerWaalsContact N-OH 3.1Å; D111-Y141 WeakPolarHBondContact OD2-CE2 3.41Å; D111-Y141 VanDerWaalsContact OD2-CZ 3.23Å; D111-Y141 PolarHBondContact OD2-OH 2.94Å; H138-Y141 AromaticContact CE1-CE2 3.87Å; A139-Y141 HydrophobicContact CB-CD2 4.29Å; A139-Y141 HydrophobicContact CB-CE2 3.77Å; Y141-Y148 HydrophobicContact CD2-CD2 4.04Å; Y141-Y148 AromaticContact CD2-CE2 3.9Å; Y141-Y148 HydrophobicContact CD2-CE2 3.9Å
142S88.8Confident94.4Very high47 Ų4737.9 Ų37.933%0.32919%0.187SC..  trans-160.5119.6178.31800000110.3E140 K145 D146E140-S142 VanDerWaalsContact C-N 3.34Å; S142-K145 CarbonylContact O-C 3.6Å; S142-K145 PolarHBondContact OG-N 3.06Å; S142-D146 WeakPolarHBondContact O-CA 3.36Å; S142-D146 VanDerWaalsContact O-CB 3.31Å; S142-D146 WeakPolarHBondContact O-CB 3.48Å; S142-D146 PolarHBondContact O-N 3.43Å
143R87.4Confident94.4Very high81 Ų8137.9 Ų37.931%0.30619%0.187SC..SBendtrans-64.5-39.8176.6-168.769.5175.1-163.71.7113.1E140 D185E140-R143 WeakPolarHBondContact OE1-CD 3.13Å; E140-R143 IonicContact OE1-CZ 3.98Å; E140-R143 IonicContact OE1-NH1 3.25Å; E140-R143 PolarHBondContact OE1-NH1 2.98Å; E140-R143 WeakPolarHBondContact OE2-CD 3.3Å; E140-R143 IonicContact OE2-NH1 3.19Å; E140-R143 PolarHBondContact OE2-NH1 3.33Å; R143-D185 IonicContact CZ-OD1 3.63Å; R143-D185 IonicContact CZ-OD2 3.91Å; R143-D185 IonicContact NH1-OD1 3.82Å; R143-D185 PolarHBondContact NH1-OD1 3.26Å; R143-D185 IonicContact NH1-OD2 3.46Å; R143-D185 PolarHBondContact NH1-OD2 3.34Å; R143-D185 IonicContact NH2-OD1 2.78Å; R143-D185 PolarHBondContact NH2-OD1 3.01Å; R143-D185 IonicContact NH2-OD2 3.5Å
144E86.7Confident94.4Very high170 Ų17037.9 Ų37.979%0.79419%0.187SC*.SBendtrans-75.5-34.5-178.8-68.1-173.5168.700113
145K88.4Confident94.4Very high170 Ų17037.9 Ų37.974%0.73919%0.187SC*.SBendtrans-128.361.1-174.1-67.2-178.3-175.9170.80110.8S142 S147S142-K145 CarbonylContact O-C 3.6Å; S142-K145 PolarHBondContact OG-N 3.06Å; K145-S147 PolarHBondContact O-N 3.47Å; K145-S147 VanDerWaalsContact O-N 3.14Å
146D91.5Very high94.4Very high36 Ų3637.9 Ų37.919%0.19319%0.187CC..  trans-82.595.2-176.7-175.922.5000112.7S142 Y148 L149 R152S142-D146 WeakPolarHBondContact O-CA 3.36Å; S142-D146 VanDerWaalsContact O-CB 3.31Å; S142-D146 WeakPolarHBondContact O-CB 3.48Å; S142-D146 PolarHBondContact O-N 3.43Å; D146-Y148 PolarHBondContact O-N 2.8Å; D146-Y148 WeakPolarHBondContact OD1-CA 3.45Å; D146-Y148 PolarHBondContact OD1-N 3.29Å; D146-L149 PolarHBondContact OD1-N 3.05Å; D146-L149 WeakPolarHBondContact OD2-CA 2.97Å; D146-L149 WeakPolarHBondContact OD2-CB 3.48Å; D146-L149 PolarHBondContact OD2-N 3.48Å; D146-L149 VanDerWaalsContact OD2-N 3.08Å; D146-R152 VanDerWaalsContact CG-NH1 3.28Å; D146-R152 VanDerWaalsContact CG-NH2 3.34Å; D146-R152 IonicContact OD1-CZ 3.74Å; D146-R152 IonicContact OD1-NH1 3.5Å; D146-R152 PolarHBondContact OD1-NH1 3.03Å; D146-R152 IonicContact OD1-NH2 2.78Å; D146-R152 IonicContact OD2-CZ 3.81Å; D146-R152 IonicContact OD2-NH1 2.7Å; D146-R152 PolarHBondContact OD2-NH1 3.34Å; D146-R152 IonicContact OD2-NH2 3.77Å; D146-R152 PolarHBondContact OD2-NH2 3.03Å
147S91.1Very high94.4Very high63 Ų6337.9 Ų37.944%0.44119%0.187SC..THydrogen-bonded Turntrans-72.5-5.8172.658.10000114.2K145K145-S147 PolarHBondContact O-N 3.47Å; K145-S147 VanDerWaalsContact O-N 3.14Å
148Y95Very high94.4Very high2 Ų238.8 Ų38.81%0.00819%0.191CC..THydrogen-bonded Turntrans-114.77.3-172.2-56.6-76.9000113.2Y103 H109 H138 Y141 D146 S150 H151 R152Y103-Y148 HydrophobicContact CD2-CD1 4.33Å; Y103-Y148 AromaticContact CD2-CE1 3.3Å; Y103-Y148 HydrophobicContact CD2-CE1 3.3Å; Y103-Y148 AromaticContact CD2-CZ 3.73Å; Y103-Y148 WeakPolarHBondContact CD2-OH 3.41Å; Y103-Y148 AromaticContact CE2-CD1 3.97Å; Y103-Y148 HydrophobicContact CE2-CD1 3.97Å; Y103-Y148 AromaticContact CE2-CE1 3.32Å; Y103-Y148 HydrophobicContact CE2-CE1 3.32Å; Y103-Y148 AromaticContact CE2-CZ 3.92Å; Y103-Y148 HydrophobicContact CG-CE1 4.42Å; H109-Y148 AromaticContact CE1-CE2 3.69Å; H109-Y148 AromaticContact ND1-CE2 3.26Å; H109-Y148 VanDerWaalsContact ND1-CE2 3.26Å; H109-Y148 WeakPolarHBondContact ND1-CE2 3.26Å; H109-Y148 AromaticContact ND1-CZ 3.34Å; H109-Y148 VanDerWaalsContact ND1-CZ 3.34Å; H109-Y148 PolarHBondContact ND1-OH 2.85Å; H138-Y148 AromaticContact CE1-CD1 3.24Å; H138-Y148 WeakPolarHBondContact CE1-CD1 3.43Å; H138-Y148 AromaticContact CE1-CD2 3.82Å; H138-Y148 AromaticContact CE1-CE1 3.7Å; H138-Y148 AromaticContact CE1-CG 3.29Å; H138-Y148 AromaticContact ND1-CG 3.88Å; H138-Y148 AromaticContact NE2-CD1 3.29Å; H138-Y148 VanDerWaalsContact NE2-CD1 3.29Å; H138-Y148 WeakPolarHBondContact NE2-CD1 3.23Å; H138-Y148 AromaticContact NE2-CE1 3.67Å; H138-Y148 AromaticContact NE2-CG 3.83Å; Y141-Y148 HydrophobicContact CD2-CD2 4.04Å; Y141-Y148 AromaticContact CD2-CE2 3.9Å; Y141-Y148 HydrophobicContact CD2-CE2 3.9Å; D146-Y148 PolarHBondContact O-N 2.8Å; D146-Y148 WeakPolarHBondContact OD1-CA 3.45Å; D146-Y148 PolarHBondContact OD1-N 3.29Å; Y148-S150 VanDerWaalsContact C-N 3.33Å; Y148-S150 PolarHBondContact O-N 2.93Å; Y148-H151 AromaticContact CD1-ND1 3.99Å; Y148-H151 WeakPolarHBondContact O-CA 3.25Å; Y148-H151 WeakPolarHBondContact O-CB 3.45Å; Y148-H151 PolarHBondContact O-N 3.22Å; Y148-R152 PolarHBondContact O-N 2.84Å
149L96.2Very high94.5Very high52 Ų5238.7 Ų38.727%0.27219%0.191SC..Hα-helixtrans-56.7-48.1-180-174.554.5000111.4D146 H151 R152 V153 E315D146-L149 PolarHBondContact OD1-N 3.05Å; D146-L149 WeakPolarHBondContact OD2-CA 2.97Å; D146-L149 WeakPolarHBondContact OD2-CB 3.48Å; D146-L149 PolarHBondContact OD2-N 3.48Å; D146-L149 VanDerWaalsContact OD2-N 3.08Å; L149-H151 PolarHBondContact O-N 3.07Å; L149-R152 PolarHBondContact O-N 3.1Å; L149-R152 VanDerWaalsContact O-N 3.15Å; L149-V153 HydrophobicContact CD1-CG2 4.24Å; L149-V153 HydrophobicContact CG-CG2 4.39Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.92Å; L149-E315 HydrophobicContact CD2-CG 4.34Å
150S96.9Very high94.7Very high11 Ų1137.8 Ų37.88%0.07718%0.183CC..Hα-helixtrans-59.5-36.6177.259.20000112Y148 V154Y148-S150 VanDerWaalsContact C-N 3.33Å; Y148-S150 PolarHBondContact O-N 2.93Å; S150-V154 VanDerWaalsContact O-CG2 3.31Å; S150-V154 WeakPolarHBondContact O-CG2 3.37Å; S150-V154 PolarHBondContact O-N 3.22Å
151H97.4Very high94.9Very high1 Ų137.5 Ų37.51%0.00518%0.182CC..Hα-helixtrans-64.4-51174.6-69.1-158.4000110.3L100 G102 Y148 L149 V153 V154 Q155 E390L100-H151 HydrophobicContact CB-CB 4.19Å; G102-H151 WeakPolarHBondContact CA-ND1 3.26Å; G102-H151 PolarHBondContact N-ND1 3.44Å; G102-H151 VanDerWaalsContact N-ND1 3.14Å; Y148-H151 AromaticContact CD1-ND1 3.99Å; Y148-H151 WeakPolarHBondContact O-CA 3.25Å; Y148-H151 WeakPolarHBondContact O-CB 3.45Å; Y148-H151 PolarHBondContact O-N 3.22Å; L149-H151 PolarHBondContact O-N 3.07Å; H151-V153 VanDerWaalsContact C-N 3.31Å; H151-V153 PolarHBondContact O-N 2.66Å; H151-V154 PolarHBondContact O-N 3.18Å; H151-Q155 VanDerWaalsContact O-CG 3.28Å; H151-Q155 WeakPolarHBondContact O-CG 3.41Å; H151-Q155 PolarHBondContact O-N 2.82Å; H151-E390 IonicContact NE2-OE1 2.57Å
152R97.9Very high95.4Very high1 Ų134 Ų340%0.00417%0.169CC..Hα-helixtrans-59.9-40178.7-70.7-162.9-54.7-76.810.4112.2H138 E140 D146 Y148 L149 Q155 A156 M181H138-R152 HydrophobicContact CB-CG 3.82Å; H138-R152 WeakPolarHBondContact O-CD 3.42Å; H138-R152 WeakPolarHBondContact O-CG 3.49Å; E140-R152 IonicContact OE1-CZ 3.49Å; E140-R152 IonicContact OE1-NH2 3.93Å; E140-R152 PolarHBondContact OE1-NH2 3.22Å; D146-R152 VanDerWaalsContact CG-NH1 3.28Å; D146-R152 VanDerWaalsContact CG-NH2 3.34Å; D146-R152 IonicContact OD1-CZ 3.74Å; D146-R152 IonicContact OD1-NH1 3.5Å; D146-R152 PolarHBondContact OD1-NH1 3.03Å; D146-R152 IonicContact OD1-NH2 2.78Å; D146-R152 IonicContact OD2-CZ 3.81Å; D146-R152 IonicContact OD2-NH1 2.7Å; D146-R152 PolarHBondContact OD2-NH1 3.34Å; D146-R152 IonicContact OD2-NH2 3.77Å; D146-R152 PolarHBondContact OD2-NH2 3.03Å; Y148-R152 PolarHBondContact O-N 2.84Å; L149-R152 PolarHBondContact O-N 3.1Å; L149-R152 VanDerWaalsContact O-N 3.15Å; R152-Q155 PolarHBondContact O-N 2.91Å; R152-A156 WeakPolarHBondContact O-CB 3.42Å; R152-A156 PolarHBondContact O-N 3.45Å; R152-M181 HydrophobicContact CB-SD 4.14Å
153V98.3Very high95.8Very high0 Ų032 Ų320%015%0.154CC..Hα-helixtrans-64.1-44175.8173.10000111.6L149 H151 A156 W157 L186 A312 E315 V316 M401L149-V153 HydrophobicContact CD1-CG2 4.24Å; L149-V153 HydrophobicContact CG-CG2 4.39Å; L149-V153 VanDerWaalsContact O-CG2 3.31Å; L149-V153 WeakPolarHBondContact O-CG2 3.37Å; L149-V153 PolarHBondContact O-N 2.92Å; H151-V153 VanDerWaalsContact C-N 3.31Å; H151-V153 PolarHBondContact O-N 2.66Å; V153-A156 PolarHBondContact O-N 3.3Å; V153-W157 WeakPolarHBondContact O-CB 3.41Å; V153-W157 PolarHBondContact O-N 2.94Å; V153-L186 HydrophobicContact CG2-CB 4.47Å; V153-L186 HydrophobicContact CG2-CD2 4Å; V153-L186 HydrophobicContact CG2-CG 4.18Å; V153-A312 HydrophobicContact CG1-CB 3.81Å; V153-E315 HydrophobicContact CG2-CB 4.47Å; V153-V316 HydrophobicContact CG1-CG2 3.94Å; V153-M401 HydrophobicContact CG1-CE 4.2Å
154V98.6Very high96.3Very high0 Ų033.1 Ų33.10%016%0.158CC..Hα-helixtrans-64.4-42.5175.1169.50000111.2L100 S150 H151 A156 W157 E158 V316 L394 A397L100-V154 HydrophobicContact CD1-CB 3.92Å; L100-V154 HydrophobicContact CD1-CG1 3.94Å; L100-V154 HydrophobicContact CD1-CG2 3.9Å; L100-V154 HydrophobicContact CG-CG1 4.32Å; S150-V154 VanDerWaalsContact O-CG2 3.31Å; S150-V154 WeakPolarHBondContact O-CG2 3.37Å; S150-V154 PolarHBondContact O-N 3.22Å; H151-V154 PolarHBondContact O-N 3.18Å; V154-A156 PolarHBondContact O-N 3.47Å; V154-W157 WeakPolarHBondContact O-CB 3.36Å; V154-W157 PolarHBondContact O-N 3.46Å; V154-E158 HydrophobicContact CG1-CG 4.36Å; V154-E158 WeakPolarHBondContact O-CG 3.46Å; V154-E158 PolarHBondContact O-N 2.7Å; V154-V316 HydrophobicContact CG2-CG1 4.48Å; V154-V316 HydrophobicContact CG2-CG2 3.85Å; V154-L394 HydrophobicContact CG2-CD2 4.04Å; V154-A397 HydrophobicContact CG1-CB 4.11Å; V154-A397 HydrophobicContact CG2-CB 3.79Å
155Q98.6Very high96.7Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-64.5-40.1177-64.4-176.3-2200112.2Y98 L100 N101 L137 H151 R152 W157 E158 L159Y98-Q155 HydrophobicContact CD1-CB 4.09Å; Y98-Q155 HydrophobicContact CD1-CG 4.29Å; Y98-Q155 HydrophobicContact CD2-CB 4.12Å; Y98-Q155 HydrophobicContact CD2-CG 3.9Å; Y98-Q155 HydrophobicContact CE1-CB 4.42Å; Y98-Q155 HydrophobicContact CE2-CB 4.46Å; Y98-Q155 HydrophobicContact CG-CB 3.96Å; Y98-Q155 HydrophobicContact CG-CG 3.71Å; L100-Q155 PolarHBondContact O-NE2 3.09Å; N101-Q155 PolarHBondContact OD1-NE2 2.99Å; L137-Q155 HydrophobicContact CD2-CB 3.81Å; H151-Q155 VanDerWaalsContact O-CG 3.28Å; H151-Q155 WeakPolarHBondContact O-CG 3.41Å; H151-Q155 PolarHBondContact O-N 2.82Å; R152-Q155 PolarHBondContact O-N 2.91Å; Q155-W157 VanDerWaalsContact C-N 3.31Å; Q155-W157 PolarHBondContact O-N 3.44Å; Q155-E158 PolarHBondContact O-N 3.3Å; Q155-L159 VanDerWaalsContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CB 3.41Å; Q155-L159 PolarHBondContact O-N 2.73Å
156A98.6Very high97.2Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-62.9-39.1173.800000111.9R152 V153 V154 L159 Q160 M181R152-A156 WeakPolarHBondContact O-CB 3.42Å; R152-A156 PolarHBondContact O-N 3.45Å; V153-A156 PolarHBondContact O-N 3.3Å; V154-A156 PolarHBondContact O-N 3.47Å; A156-L159 PolarHBondContact O-N 3.07Å; A156-Q160 WeakPolarHBondContact O-CG 3.26Å; A156-Q160 PolarHBondContact O-N 2.7Å; A156-M181 HydrophobicContact CB-CE 4.31Å
157W98.6Very high97.4Very high2 Ų224 Ų241%0.00812%0.121CC..Hα-helixtrans-62.2-46172.7174.8-101.5000112.2V153 V154 Q155 Q160 Q161 L190 Y194 L309 Q400 M401 A404V153-W157 WeakPolarHBondContact O-CB 3.41Å; V153-W157 PolarHBondContact O-N 2.94Å; V154-W157 WeakPolarHBondContact O-CB 3.36Å; V154-W157 PolarHBondContact O-N 3.46Å; Q155-W157 VanDerWaalsContact C-N 3.31Å; Q155-W157 PolarHBondContact O-N 3.44Å; W157-Q160 VanDerWaalsContact CD2-NE2 3.34Å; W157-Q160 VanDerWaalsContact O-CG 3.23Å; W157-Q160 WeakPolarHBondContact O-CG 3.46Å; W157-Q160 PolarHBondContact O-NE2 2.84Å; W157-Q161 HydrophobicContact CZ2-CG 4.24Å; W157-Q161 WeakPolarHBondContact O-CG 3.25Å; W157-Q161 PolarHBondContact O-N 3.5Å; W157-Q161 VanDerWaalsContact O-N 3.12Å; W157-L190 HydrophobicContact CB-CD2 4.21Å; W157-L190 HydrophobicContact CE3-CD1 4.38Å; W157-L190 HydrophobicContact CE3-CD2 4.33Å; W157-Y194 HydrophobicContact CH2-CE2 4.13Å; W157-Y194 HydrophobicContact CZ3-CD2 4.12Å; W157-Y194 AromaticContact CZ3-CE2 3.8Å; W157-Y194 HydrophobicContact CZ3-CE2 3.8Å; W157-L309 HydrophobicContact CE3-CD1 3.85Å; W157-L309 HydrophobicContact CH2-CD1 4.24Å; W157-L309 HydrophobicContact CZ3-CD1 3.42Å; W157-L309 VanDerWaalsContact CZ3-CD1 3.42Å; W157-L309 HydrophobicContact CZ3-CD2 4.45Å; W157-Q400 HydrophobicContact CZ2-CB 3.97Å; W157-M401 HydrophobicContact CB-CE 3.45Å; W157-M401 VanDerWaalsContact CB-CE 3.45Å; W157-M401 HydrophobicContact CD2-CE 3.77Å; W157-M401 HydrophobicContact CD2-CG 3.63Å; W157-M401 HydrophobicContact CE3-CE 4.06Å; W157-M401 HydrophobicContact CE3-CG 3.77Å; W157-M401 HydrophobicContact CG-CE 3.48Å; W157-M401 VanDerWaalsContact CG-CE 3.48Å; W157-M401 HydrophobicContact CG-CG 4.2Å; W157-M401 HydrophobicContact CH2-CG 4.22Å; W157-M401 HydrophobicContact CZ2-CG 4.07Å; W157-M401 HydrophobicContact CZ3-CG 4.07Å; W157-A404 HydrophobicContact CH2-CB 3.57Å; W157-A404 HydrophobicContact CZ2-CB 4.35Å; W157-A404 HydrophobicContact CZ3-CB 4.44Å
158E98.8Very high97.5Very high19 Ų1927 Ų279%0.08914%0.137CC..Hα-helixtrans-65.8-41176.9-71-177.6154.400112Y96 Y98 S99 V154 Q155 Q161 F162Y96-E158 HydrophobicContact CE1-CB 3.83Å; Y96-E158 HydrophobicContact CE1-CG 4.32Å; Y96-E158 PolarHBondContact OH-OE1 3.42Å; Y98-E158 VanDerWaalsContact CA-OE2 3.23Å; Y98-E158 WeakPolarHBondContact CA-OE2 3.45Å; Y98-E158 WeakPolarHBondContact CB-OE2 3.28Å; Y98-E158 HydrophobicContact CD1-CB 3.97Å; Y98-E158 WeakPolarHBondContact CD1-OE2 3.39Å; Y98-E158 HydrophobicContact CE1-CB 4.33Å; S99-E158 WeakPolarHBondContact CB-OE1 3.25Å; S99-E158 PolarHBondContact N-OE2 3.18Å; S99-E158 PolarHBondContact OG-OE1 3.06Å; V154-E158 HydrophobicContact CG1-CG 4.36Å; V154-E158 WeakPolarHBondContact O-CG 3.46Å; V154-E158 PolarHBondContact O-N 2.7Å; Q155-E158 PolarHBondContact O-N 3.3Å; E158-Q161 PolarHBondContact O-N 3Å; E158-F162 VanDerWaalsContact O-CB 3.28Å; E158-F162 WeakPolarHBondContact O-CB 3.46Å; E158-F162 PolarHBondContact O-N 3.34Å
159L98.8Very high97.3Very high0 Ų030.1 Ų30.10%017%0.17CC..Hα-helixtrans-60-47.6177.3176.856.9000111.4Y98 V118 T135 L137 Q155 A156 Q161 F162 I163 L179 L191Y98-L159 HydrophobicContact CE1-CB 4.13Å; V118-L159 HydrophobicContact CB-CD1 3.85Å; V118-L159 HydrophobicContact CG1-CD1 4.05Å; V118-L159 HydrophobicContact CG2-CD1 3.75Å; T135-L159 HydrophobicContact CG2-CD2 3.99Å; L137-L159 HydrophobicContact CD2-CD2 4.37Å; Q155-L159 VanDerWaalsContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CB 3.41Å; Q155-L159 PolarHBondContact O-N 2.73Å; A156-L159 PolarHBondContact O-N 3.07Å; L159-Q161 PolarHBondContact O-N 2.96Å; L159-F162 PolarHBondContact O-N 3.48Å; L159-I163 HydrophobicContact CD1-CD1 3.6Å; L159-I163 HydrophobicContact CD1-CG1 4.07Å; L159-I163 HydrophobicContact CG-CD1 3.82Å; L159-I163 WeakPolarHBondContact O-CD1 3.44Å; L159-I163 VanDerWaalsContact O-CG1 3.31Å; L159-I163 WeakPolarHBondContact O-CG1 3.29Å; L159-I163 PolarHBondContact O-N 2.87Å; L159-L179 HydrophobicContact CD2-CD2 4.21Å; L159-L191 HydrophobicContact CD2-CD1 4.07Å; L159-L191 HydrophobicContact CD2-CD2 3.8Å; L159-L191 HydrophobicContact CG-CD1 3.91Å
160Q98.3Very high97.3Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-65.3-38.6177.367.373.917.800112.3A156 W157 F162 R164 L191 Y194 T195A156-Q160 WeakPolarHBondContact O-CG 3.26Å; A156-Q160 PolarHBondContact O-N 2.7Å; W157-Q160 VanDerWaalsContact CD2-NE2 3.34Å; W157-Q160 VanDerWaalsContact O-CG 3.23Å; W157-Q160 WeakPolarHBondContact O-CG 3.46Å; W157-Q160 PolarHBondContact O-NE2 2.84Å; Q160-F162 VanDerWaalsContact C-N 3.34Å; Q160-R164 WeakPolarHBondContact O-CB 3.43Å; Q160-R164 VanDerWaalsContact O-CG 3.28Å; Q160-R164 WeakPolarHBondContact O-CG 3.23Å; Q160-R164 PolarHBondContact O-N 2.89Å; Q160-L191 HydrophobicContact CB-CD1 3.85Å; Q160-Y194 HydrophobicContact CG-CD1 4.43Å; Q160-Y194 HydrophobicContact CG-CG 4.39Å; Q160-T195 HydrophobicContact CB-CG2 3.56Å
161Q98.1Very high97.3Very high45 Ų4529.3 Ų29.321%0.2117%0.167CC..Hα-helixtrans-62.4-46.7175.8-74.5-61-82.800110.1W157 E158 L159 R164 H165W157-Q161 HydrophobicContact CZ2-CG 4.24Å; W157-Q161 WeakPolarHBondContact O-CG 3.25Å; W157-Q161 PolarHBondContact O-N 3.5Å; W157-Q161 VanDerWaalsContact O-N 3.12Å; E158-Q161 PolarHBondContact O-N 3Å; L159-Q161 PolarHBondContact O-N 2.96Å; Q161-R164 PolarHBondContact O-N 3.43Å; Q161-H165 WeakPolarHBondContact O-CB 3.36Å; Q161-H165 PolarHBondContact O-N 3.07Å; Q161-H165 PolarHBondContact O-ND1 3.36Å; Q161-H165 PolarHBondContact OE1-CE1 3.28Å; Q161-H165 VanDerWaalsContact OE1-CE1 3.29Å
162F98.6Very high97.2Very high15 Ų1529.3 Ų29.37%0.06617%0.167CC..Hα-helixtrans-59.2-52-179.6-177.2-102.2000110.9F94 Y96 V118 M120 Y133 E158 L159 Q160 R164 H165 T166F94-F162 HydrophobicContact CB-CZ 4.42Å; F94-F162 AromaticContact CD1-CE2 3.56Å; F94-F162 HydrophobicContact CD1-CE2 3.56Å; F94-F162 AromaticContact CD1-CZ 3.67Å; F94-F162 HydrophobicContact CD1-CZ 3.67Å; F94-F162 AromaticContact CE1-CE2 3.52Å; F94-F162 HydrophobicContact CE1-CE2 3.52Å; F94-F162 HydrophobicContact CE1-CZ 4.14Å; F94-F162 HydrophobicContact CG-CE2 4.26Å; F94-F162 HydrophobicContact CG-CZ 4.1Å; F94-F162 HydrophobicContact CZ-CE2 4.17Å; Y96-F162 HydrophobicContact CD2-CD2 4.2Å; Y96-F162 AromaticContact CG-CD2 3.89Å; Y96-F162 HydrophobicContact CG-CD2 3.89Å; Y96-F162 HydrophobicContact CG-CE2 4.24Å; Y96-F162 HydrophobicContact CG-CG 4.45Å; V118-F162 HydrophobicContact CG1-CB 4.45Å; V118-F162 HydrophobicContact CG1-CD1 3.49Å; V118-F162 VanDerWaalsContact CG1-CD1 3.49Å; V118-F162 HydrophobicContact CG1-CE1 3.82Å; V118-F162 HydrophobicContact CG1-CG 3.98Å; V118-F162 HydrophobicContact CG2-CD1 4.18Å; V118-F162 HydrophobicContact CG2-CE1 4.19Å; M120-F162 HydrophobicContact CB-CE1 3.99Å; M120-F162 HydrophobicContact CB-CZ 4.21Å; Y133-F162 HydrophobicContact CD1-CD1 4.13Å; Y133-F162 AromaticContact CD1-CE1 3.86Å; Y133-F162 HydrophobicContact CD1-CE1 3.86Å; Y133-F162 AromaticContact CE1-CD1 3.99Å; Y133-F162 HydrophobicContact CE1-CD1 3.99Å; Y133-F162 AromaticContact CE1-CE1 3.71Å; Y133-F162 HydrophobicContact CE1-CE1 3.71Å; E158-F162 VanDerWaalsContact O-CB 3.28Å; E158-F162 WeakPolarHBondContact O-CB 3.46Å; E158-F162 PolarHBondContact O-N 3.34Å; L159-F162 PolarHBondContact O-N 3.48Å; Q160-F162 VanDerWaalsContact C-N 3.34Å; F162-R164 PolarHBondContact O-N 2.94Å; F162-H165 PolarHBondContact O-N 3.33Å; F162-T166 HydrophobicContact CD2-CG2 4.14Å; F162-T166 HydrophobicContact CE1-CG2 4.45Å; F162-T166 HydrophobicContact CE2-CG2 3.88Å; F162-T166 HydrophobicContact CZ-CG2 4.05Å; F162-T166 WeakPolarHBondContact O-CB 3.1Å; F162-T166 WeakPolarHBondContact O-CG2 3.23Å; F162-T166 PolarHBondContact O-N 3.38Å; F162-T166 PolarHBondContact O-OG1 3.45Å
163I98.6Very high97.3Very high3 Ų329.6 Ų29.62%0.01517%0.168CC..Hα-helixtrans-57.3-50178.3-69161.8000110.4Y133 L159 H165 T166 S167 V173 V175 L191 T195 L197Y133-I163 HydrophobicContact CD1-CG1 4.15Å; Y133-I163 HydrophobicContact CE1-CG1 4.19Å; Y133-I163 HydrophobicContact CG-CG1 4.33Å; L159-I163 HydrophobicContact CD1-CD1 3.6Å; L159-I163 HydrophobicContact CD1-CG1 4.07Å; L159-I163 HydrophobicContact CG-CD1 3.82Å; L159-I163 WeakPolarHBondContact O-CD1 3.44Å; L159-I163 VanDerWaalsContact O-CG1 3.31Å; L159-I163 WeakPolarHBondContact O-CG1 3.29Å; L159-I163 PolarHBondContact O-N 2.87Å; I163-H165 PolarHBondContact O-N 3.29Å; I163-T166 PolarHBondContact O-N 3.03Å; I163-T166 PolarHBondContact O-OG1 3.09Å; I163-S167 WeakPolarHBondContact O-CB 3.41Å; I163-S167 PolarHBondContact O-N 2.86Å; I163-S167 PolarHBondContact O-OG 2.82Å; I163-V173 HydrophobicContact CG2-CG1 4.18Å; I163-V175 HydrophobicContact CD1-CG2 3.86Å; I163-V175 HydrophobicContact CG1-CG2 4.48Å; I163-L191 HydrophobicContact CD1-CD1 4.1Å; I163-T195 HydrophobicContact CG2-CG2 4.41Å; I163-L197 HydrophobicContact CD1-CD1 4.08Å
164R96.4Very high97.3Very high105 Ų10529.6 Ų29.640%0.39617%0.169SC..Hα-helixtrans-61.5-44.1-176.6-76.4175.356.2131.6-3.6113.3Q160 Q161 F162 T168 Y194 T195Q160-R164 WeakPolarHBondContact O-CB 3.43Å; Q160-R164 VanDerWaalsContact O-CG 3.28Å; Q160-R164 WeakPolarHBondContact O-CG 3.23Å; Q160-R164 PolarHBondContact O-N 2.89Å; Q161-R164 PolarHBondContact O-N 3.43Å; F162-R164 PolarHBondContact O-N 2.94Å; R164-T168 PolarHBondContact O-OG1 3.39Å; R164-Y194 PolarHBondContact NH1-O 2.93Å; R164-T195 HydrophobicContact CG-CG2 4.36Å
165H96.9Very high97.3Very high130 Ų13029.8 Ų29.860%0.60217%0.169SC*.Hα-helixtrans-72.7-33.4-178.5-68.6116.6000112.3Q161 F162 I163Q161-H165 WeakPolarHBondContact O-CB 3.36Å; Q161-H165 PolarHBondContact O-N 3.07Å; Q161-H165 PolarHBondContact O-ND1 3.36Å; Q161-H165 PolarHBondContact OE1-CE1 3.28Å; Q161-H165 VanDerWaalsContact OE1-CE1 3.29Å; F162-H165 PolarHBondContact O-N 3.33Å; I163-H165 PolarHBondContact O-N 3.29Å
166T97.8Very high97.3Very high35 Ų3529.8 Ų29.822%0.21517%0.17CC..Hα-helixtrans-88.7-20.7-177.757.40000113.4F94 M120 N131 Y133 F162 I163F94-T166 HydrophobicContact CD1-CG2 4.26Å; F94-T166 HydrophobicContact CE1-CG2 4.43Å; M120-T166 HydrophobicContact SD-CG2 4.22Å; N131-T166 PolarHBondContact ND2-O 3.36Å; Y133-T166 WeakPolarHBondContact CE1-OG1 3.41Å; Y133-T166 PolarHBondContact OH-OG1 3.48Å; F162-T166 HydrophobicContact CD2-CG2 4.14Å; F162-T166 HydrophobicContact CE1-CG2 4.45Å; F162-T166 HydrophobicContact CE2-CG2 3.88Å; F162-T166 HydrophobicContact CZ-CG2 4.05Å; F162-T166 WeakPolarHBondContact O-CB 3.1Å; F162-T166 WeakPolarHBondContact O-CG2 3.23Å; F162-T166 PolarHBondContact O-N 3.38Å; F162-T166 PolarHBondContact O-OG1 3.45Å; I163-T166 PolarHBondContact O-N 3.03Å; I163-T166 PolarHBondContact O-OG1 3.09Å
167S96.4Very high97.3Very high20 Ų2029.9 Ų29.914%0.1417%0.171CC..SBendtrans-94.14.5-176.783.10000115.7I163 G169 A170 V173I163-S167 WeakPolarHBondContact O-CB 3.41Å; I163-S167 PolarHBondContact O-N 2.86Å; I163-S167 PolarHBondContact O-OG 2.82Å; S167-G169 PolarHBondContact O-N 2.74Å; S167-A170 PolarHBondContact O-N 2.57Å; S167-A170 VanDerWaalsContact O-N 3.14Å; S167-V173 VanDerWaalsContact CB-CG2 3.49Å
168T91.9Very high97.3Very high125 Ų12529.9 Ų29.977%0.76717%0.171SC*.THydrogen-bonded Turntrans-61.3-32.3-173.4-64.10000112.7R164R164-T168 PolarHBondContact O-OG1 3.39Å
169G91.2Very high97.3Very high68 Ų6829.1 Ų29.170%0.70117%0.167SC*.THydrogen-bonded Turntrans-975.8178.200000115.3S167S167-G169 PolarHBondContact O-N 2.74Å
170A96.2Very high97.3Very high11 Ų1129.8 Ų29.89%0.09117%0.171CC..  trans-89.8139.8-177.400000111.4N131 S167 V173N131-A170 HydrophobicContact CB-CB 4.01Å; S167-A170 PolarHBondContact O-N 2.57Å; S167-A170 VanDerWaalsContact O-N 3.14Å; A170-V173 HydrophobicContact CB-CG2 4.4Å
171D96.5Very high97.2Very high36 Ų3629.9 Ų29.919%0.19317%0.172CC..SBendtrans-73.6-35.4169.7-64-64.1000110.8L128 T129 S245 T247 A248L128-D171 HydrophobicContact CB-CB 4.03Å; L128-D171 HydrophobicContact CD2-CB 4.06Å; T129-D171 PolarHBondContact N-OD2 3.03Å; T129-D171 PolarHBondContact O-N 2.93Å; D171-S245 WeakPolarHBondContact O-CB 3.46Å; D171-S245 PolarHBondContact O-N 3.02Å; D171-S245 PolarHBondContact O-OG 3.5Å; D171-T247 PolarHBondContact OD1-OG1 3.29Å; D171-A248 HydrophobicContact CB-CB 4.04Å
172V97Very high97.1Very high1 Ų129.7 Ų29.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-134.8137.9-175-179.20000110L128 T129 A130 N131 I174 A248 I250 L281L128-V172 HydrophobicContact CB-CG2 4.5Å; L128-V172 HydrophobicContact CD1-CG2 4.31Å; T129-V172 PolarHBondContact O-N 2.92Å; T129-V172 VanDerWaalsContact O-N 3.14Å; A130-V172 CarbonylContact C-O 3.58Å; A130-V172 WeakPolarHBondContact CA-O 3.33Å; A130-V172 HydrophobicContact CB-CB 4.18Å; N131-V172 PolarHBondContact N-O 2.83Å; V172-I174 HydrophobicContact CG1-CD1 4.18Å; V172-I174 HydrophobicContact CG1-CG1 4Å; V172-A248 HydrophobicContact CG2-CB 4.22Å; V172-I250 HydrophobicContact CG1-CD1 3.84Å; V172-L281 HydrophobicContact CB-CD2 4.41Å; V172-L281 HydrophobicContact CG1-CD2 3.93Å; V172-L281 HydrophobicContact CG2-CD2 3.56Å
173V98.6Very high97Very high6 Ų629.9 Ų29.94%0.03617%0.173CC..EExtended strand (participates in β ladder)trans-119.5128.1171.81760000108.6N131 Y133 I163 S167 A170 V175 L197 F242 K243N131-V173 WeakPolarHBondContact O-CA 3.42Å; Y133-V173 HydrophobicContact CD2-CG1 4.13Å; Y133-V173 HydrophobicContact CE2-CG1 3.81Å; I163-V173 HydrophobicContact CG2-CG1 4.18Å; S167-V173 VanDerWaalsContact CB-CG2 3.49Å; A170-V173 HydrophobicContact CB-CG2 4.4Å; V173-V175 HydrophobicContact CG1-CG2 4.09Å; V173-L197 HydrophobicContact CG1-CD2 3.83Å; V173-F242 CarbonylContact O-C 3.42Å; V173-F242 WeakPolarHBondContact O-CA 3.46Å; V173-K243 HydrophobicContact CB-CB 4.29Å; V173-K243 PolarHBondContact N-O 2.95Å; V173-K243 PolarHBondContact O-N 2.88Å
174I98.8Very high96.8Very high1 Ų135.6 Ų35.61%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-128.4127.7173.9-62.5166.1000107.5V11 I44 N131 V132 Y133 V172 L241 L279V11-I174 HydrophobicContact CG1-CG2 3.91Å; V11-I174 HydrophobicContact CG2-CD1 4.06Å; V11-I174 HydrophobicContact CG2-CG2 4.08Å; I44-I174 HydrophobicContact CD1-CD1 4Å; N131-I174 PolarHBondContact O-N 3Å; V132-I174 CarbonylContact C-O 3.57Å; V132-I174 VanDerWaalsContact CA-O 3.31Å; V132-I174 WeakPolarHBondContact CA-O 3.16Å; V132-I174 HydrophobicContact CG2-CB 4.48Å; Y133-I174 WeakPolarHBondContact CD2-O 3.22Å; Y133-I174 PolarHBondContact N-O 3.2Å; V172-I174 HydrophobicContact CG1-CD1 4.18Å; V172-I174 HydrophobicContact CG1-CG1 4Å; I174-L241 CarbonylContact C-O 3.55Å; I174-L241 WeakPolarHBondContact CA-O 3.32Å; I174-L279 HydrophobicContact CD1-CD1 4.15Å; I174-L279 HydrophobicContact CG1-CD1 4.13Å
175V98.9Very high96.8Very high3 Ų331.6 Ų31.62%0.01819%0.187CC..EExtended strand (participates in β ladder)trans-122.9127.7177.3-175.40000107.7Y133 T135 I163 V173 L197 I240 L241Y133-V175 HydrophobicContact CD2-CG2 3.9Å; Y133-V175 HydrophobicContact CG-CG2 4.26Å; Y133-V175 CarbonylContact O-C 3.21Å; Y133-V175 WeakPolarHBondContact O-CA 3.31Å; T135-V175 HydrophobicContact CG2-CG1 4.38Å; I163-V175 HydrophobicContact CD1-CG2 3.86Å; I163-V175 HydrophobicContact CG1-CG2 4.48Å; V173-V175 HydrophobicContact CG1-CG2 4.09Å; V175-L197 HydrophobicContact CG2-CD1 3.79Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å; V175-I240 CarbonylContact O-C 3.52Å; V175-I240 WeakPolarHBondContact O-CA 3.37Å; V175-L241 HydrophobicContact CB-CB 4.24Å; V175-L241 PolarHBondContact N-O 3.4Å; V175-L241 PolarHBondContact O-N 3.35Å
176G98.8Very high96.8Very high1 Ų126 Ų261%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-130146.2174.100000112.4Y133 V134 T135 Y239Y133-G176 PolarHBondContact O-N 2.91Å; V134-G176 VanDerWaalsContact CA-O 3.27Å; V134-G176 WeakPolarHBondContact CA-O 3.4Å; T135-G176 PolarHBondContact N-O 2.87Å; T135-G176 VanDerWaalsContact N-O 3.09Å; G176-Y239 VanDerWaalsContact CA-O 3.29Å; G176-Y239 WeakPolarHBondContact CA-O 3.28Å
177G98.4Very high96.8Very high2 Ų224.3 Ų24.32%0.02115%0.151CC..EExtended strand (participates in β ladder)trans143.4-166.4164.900000114.2S13 Q48 T135 D238 Y239S13-G177 WeakPolarHBondContact OG-CA 3.38Å; S13-G177 PolarHBondContact OG-N 3.11Å; Q48-G177 VanDerWaalsContact CD-CA 3.4Å; Q48-G177 VanDerWaalsContact NE2-CA 3.34Å; T135-G177 WeakPolarHBondContact O-CA 3.3Å; G177-D238 WeakPolarHBondContact O-CA 3.4Å; G177-Y239 PolarHBondContact N-O 2.99Å; G177-Y239 PolarHBondContact O-N 3Å
178D98.7Very high96.9Very high1 Ų123.4 Ų23.41%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-91.8110.8-173-176.3-8.3000109.9N15 Q48 T135 H136 L137 N180 D238 H272N15-D178 PolarHBondContact ND2-OD2 3.42Å; Q48-D178 HydrophobicContact CG-CB 4.42Å; T135-D178 PolarHBondContact O-N 3.44Å; H136-D178 CarbonylContact C-O 3.13Å; H136-D178 VanDerWaalsContact CA-O 3.27Å; H136-D178 WeakPolarHBondContact CA-O 3.45Å; H136-D178 IonicContact CD2-OD2 3.19Å; H136-D178 IonicContact CE1-OD2 3.46Å; H136-D178 IonicContact NE2-OD2 3.22Å; H136-D178 PolarHBondContact NE2-OD2 2.86Å; L137-D178 PolarHBondContact N-O 2.84Å; D178-N180 WeakPolarHBondContact OD1-CA 3.39Å; D178-N180 PolarHBondContact OD1-N 3.11Å; D178-N180 PolarHBondContact OD1-ND2 3.44Å; D178-D238 WeakPolarHBondContact CB-OD1 3.33Å; D178-H272 IonicContact OD2-CE1 3.48Å; D178-H272 PolarHBondContact OD2-CE1 3.26Å; D178-H272 IonicContact OD2-ND1 3.9Å; D178-H272 IonicContact OD2-NE2 2.66Å
179L98.5Very high97.2Very high3 Ų320.4 Ų20.42%0.01612%0.119CC..  trans-88.9-6.4177.5-58.8-172.9000112.6T135 L137 L159 M181 L191 I237 Y239T135-L179 HydrophobicContact CG2-CD2 3.73Å; L137-L179 WeakPolarHBondContact CB-O 3Å; L137-L179 HydrophobicContact CD1-CB 4.15Å; L137-L179 HydrophobicContact CD1-CD2 3.91Å; L137-L179 HydrophobicContact CG-CD2 4.1Å; L159-L179 HydrophobicContact CD2-CD2 4.21Å; L179-M181 WeakPolarHBondContact O-CE 3.02Å; L179-M181 PolarHBondContact O-N 3.09Å; L179-L191 HydrophobicContact CD1-CD2 3.87Å; L179-L191 HydrophobicContact CD2-CD2 4.37Å; L179-I237 PolarHBondContact N-O 3.35Å; L179-Y239 HydrophobicContact CB-CD2 3.91Å; L179-Y239 HydrophobicContact CB-CE2 3.89Å; L179-Y239 HydrophobicContact CD1-CD2 3.49Å; L179-Y239 VanDerWaalsContact CD1-CD2 3.49Å; L179-Y239 HydrophobicContact CD1-CE2 3.87Å; L179-Y239 HydrophobicContact CD1-CG 4.04Å; L179-Y239 HydrophobicContact CG-CD2 3.57Å; L179-Y239 HydrophobicContact CG-CE2 4.04Å; L179-Y239 HydrophobicContact CG-CG 4.44Å
180N97.7Very high97.5Very high15 Ų1517.1 Ų17.18%0.089%0.085CC..SBendtrans49.530.9-177-87.6-65.8000113.5H136 L137 H138 D178H136-N180 PolarHBondContact CD2-ND2 3.4Å; H136-N180 VanDerWaalsContact CD2-ND2 3.33Å; H136-N180 PolarHBondContact NE2-ND2 2.85Å; L137-N180 PolarHBondContact O-ND2 3.39Å; H138-N180 WeakPolarHBondContact O-CB 3.28Å; D178-N180 WeakPolarHBondContact OD1-CA 3.39Å; D178-N180 PolarHBondContact OD1-N 3.11Å; D178-N180 PolarHBondContact OD1-ND2 3.44Å
181M96.9Very high97.6Very high2 Ų216.7 Ų16.71%0.018%0.081CC..SBendtrans-146.9134.5-173.8-79.8-174.2-69.600110.1L137 R152 A156 L179 D185 G187 C188 Y239L137-M181 HydrophobicContact CD1-CE 3.39Å; R152-M181 HydrophobicContact CB-SD 4.14Å; A156-M181 HydrophobicContact CB-CE 4.31Å; L179-M181 WeakPolarHBondContact O-CE 3.02Å; L179-M181 PolarHBondContact O-N 3.09Å; M181-D185 HydrophobicContact CB-CB 4Å; M181-D185 HydrophobicContact CG-CB 4.2Å; M181-D185 HydrophobicContact SD-CB 4.42Å; M181-G187 VanDerWaalsContact SD-CA 3.52Å; M181-C188 WeakPolarHBondContact CB-SG 3.45Å; M181-Y239 WeakPolarHBondContact O-CE2 3.42Å; M181-Y239 PolarHBondContact O-OH 3.04Å
182H96.6Very high97.6Very high40 Ų4016.6 Ų16.619%0.1858%0.08CC..  trans-65.2154.1172-169.6-105.5000110Q184 D185 F231 I235 R236H182-Q184 PolarHBondContact CE1-OE1 2.56Å; H182-Q184 PolarHBondContact ND1-OE1 2.96Å; H182-Q184 PolarHBondContact O-N 3.32Å; H182-D185 WeakPolarHBondContact CB-OD2 3.36Å; H182-D185 PolarHBondContact N-OD2 2.8Å; H182-D185 VanDerWaalsContact O-CB 3.28Å; H182-D185 WeakPolarHBondContact O-CB 3.43Å; H182-D185 PolarHBondContact O-N 2.72Å; H182-F231 HydrophobicContact CB-CZ 4.41Å; H182-F231 AromaticContact CD2-CE1 3.88Å; H182-F231 AromaticContact CD2-CZ 3.93Å; H182-F231 AromaticContact CG-CZ 3.93Å; H182-F231 AromaticContact NE2-CE1 3.77Å; H182-I235 HydrophobicContact CB-CD1 4.17Å; H182-I235 HydrophobicContact CB-CG1 4.29Å; H182-R236 WeakPolarHBondContact CA-O 3.4Å
183P95.4Very high97.4Very high19 Ų1918.6 Ų18.612%0.1239%0.094CC..THydrogen-bonded Turntrans-59.2-27.1-173-24.232.5000114.3Y239P183-Y239 WeakPolarHBondContact CA-OH 3.45Å; P183-Y239 WeakPolarHBondContact CD-OH 2.78Å; P183-Y239 HydrophobicContact CG-CE1 4.1Å; P183-Y239 WeakPolarHBondContact CG-OH 3.27Å; P183-Y239 VanDerWaalsContact N-OH 3.08Å
184Q94.8Very high97.2Very high123 Ų12319.5 Ų19.558%0.57510%0.097SC*.THydrogen-bonded Turntrans-86.6-9.3-179-73.564.825.800112.7H182 R189H182-Q184 PolarHBondContact CE1-OE1 2.56Å; H182-Q184 PolarHBondContact ND1-OE1 2.96Å; H182-Q184 PolarHBondContact O-N 3.32Å; Q184-R189 PolarHBondContact O-NE 3.27Å
185D97Very high97.1Very high22 Ų2219.7 Ų19.712%0.11810%0.098CC..SBendtrans-69.5150.6179.4-65.2-14.9000110.9R143 M181 H182 G187 C188 R189R143-D185 IonicContact CZ-OD1 3.63Å; R143-D185 IonicContact CZ-OD2 3.91Å; R143-D185 IonicContact NH1-OD1 3.82Å; R143-D185 PolarHBondContact NH1-OD1 3.26Å; R143-D185 IonicContact NH1-OD2 3.46Å; R143-D185 PolarHBondContact NH1-OD2 3.34Å; R143-D185 IonicContact NH2-OD1 2.78Å; R143-D185 PolarHBondContact NH2-OD1 3.01Å; R143-D185 IonicContact NH2-OD2 3.5Å; M181-D185 HydrophobicContact CB-CB 4Å; M181-D185 HydrophobicContact CG-CB 4.2Å; M181-D185 HydrophobicContact SD-CB 4.42Å; H182-D185 WeakPolarHBondContact CB-OD2 3.36Å; H182-D185 PolarHBondContact N-OD2 2.8Å; H182-D185 VanDerWaalsContact O-CB 3.28Å; H182-D185 WeakPolarHBondContact O-CB 3.43Å; H182-D185 PolarHBondContact O-N 2.72Å; D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.09Å; D185-C188 PolarHBondContact O-N 3.49Å; D185-C188 VanDerWaalsContact O-N 3.12Å; D185-R189 PolarHBondContact O-N 2.93Å; D185-R189 VanDerWaalsContact O-N 3.09Å
186L97.4Very high96.9Very high12 Ų1221.6 Ų21.66%0.06312%0.119CC..Hα-helixtrans-56.2-42.3-171.3179.651.9000113.4V153 L190 T308 E311 A312 E315V153-L186 HydrophobicContact CG2-CB 4.47Å; V153-L186 HydrophobicContact CG2-CD2 4Å; V153-L186 HydrophobicContact CG2-CG 4.18Å; L186-L190 WeakPolarHBondContact O-CB 3.22Å; L186-L190 PolarHBondContact O-N 2.86Å; L186-T308 HydrophobicContact CD1-CG2 4.01Å; L186-E311 HydrophobicContact CD1-CB 3.97Å; L186-E311 HydrophobicContact CD1-CG 3.93Å; L186-E311 HydrophobicContact CD2-CB 4.47Å; L186-E311 HydrophobicContact CD2-CG 3.92Å; L186-A312 HydrophobicContact CD1-CB 4.21Å; L186-A312 HydrophobicContact CD2-CB 4.35Å; L186-A312 HydrophobicContact CG-CB 4.33Å; L186-E315 HydrophobicContact CD2-CB 4.16Å; L186-E315 HydrophobicContact CD2-CG 3.51Å
187G97.3Very high96.9Very high0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-67-36.9179.500000113.3M181 D185 L191M181-G187 VanDerWaalsContact SD-CA 3.52Å; D185-G187 VanDerWaalsContact C-N 3.32Å; D185-G187 PolarHBondContact O-N 3.09Å; G187-L191 VanDerWaalsContact O-CB 3.32Å; G187-L191 WeakPolarHBondContact O-CB 3.33Å; G187-L191 PolarHBondContact O-N 3.18Å
188C97.8Very high96.9Very high0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-65.1-50.2175.1-77.40000111.4M181 D185 L190 L191 M192M181-C188 WeakPolarHBondContact CB-SG 3.45Å; D185-C188 PolarHBondContact O-N 3.49Å; D185-C188 VanDerWaalsContact O-N 3.12Å; C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 2.94Å; C188-L191 PolarHBondContact O-N 3.35Å; C188-M192 HydrophobicContact CB-CE 4.41Å; C188-M192 WeakPolarHBondContact O-CG 3.31Å; C188-M192 PolarHBondContact O-N 3.48Å
189R97.8Very high96.8Very high62 Ų6226.4 Ų26.423%0.23414%0.14CC..Hα-helixtrans-57.9-46.8175.5-70.1-174.6-72113.9-7.3111.5Q184 D185 L191 M192 S193 T308 E311Q184-R189 PolarHBondContact O-NE 3.27Å; D185-R189 PolarHBondContact O-N 2.93Å; D185-R189 VanDerWaalsContact O-N 3.09Å; R189-L191 PolarHBondContact O-N 2.88Å; R189-M192 PolarHBondContact O-N 2.91Å; R189-S193 VanDerWaalsContact O-CB 3.27Å; R189-S193 WeakPolarHBondContact O-CB 3.45Å; R189-S193 PolarHBondContact O-N 3.48Å; R189-S193 PolarHBondContact O-OG 2.88Å; R189-S193 VanDerWaalsContact O-OG 3.09Å; R189-T308 HydrophobicContact CB-CG2 3.99Å; R189-E311 IonicContact CZ-OE1 3.53Å; R189-E311 IonicContact CZ-OE2 3.92Å; R189-E311 VanDerWaalsContact CZ-OE2 3.31Å; R189-E311 IonicContact NH1-OE2 3.58Å; R189-E311 PolarHBondContact NH1-OE2 3.01Å; R189-E311 IonicContact NH2-OE1 2.79Å; R189-E311 PolarHBondContact NH2-OE1 2.85Å; R189-E311 IonicContact NH2-OE2 3.23Å; R189-E311 PolarHBondContact NH2-OE2 2.98Å
190L97.8Very high96.8Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-58.6-48.1178.2179.664.8000111.6W157 L186 C188 Y194 T308 L309 A312W157-L190 HydrophobicContact CB-CD2 4.21Å; W157-L190 HydrophobicContact CE3-CD1 4.38Å; W157-L190 HydrophobicContact CE3-CD2 4.33Å; L186-L190 WeakPolarHBondContact O-CB 3.22Å; L186-L190 PolarHBondContact O-N 2.86Å; C188-L190 VanDerWaalsContact C-N 3.34Å; C188-L190 PolarHBondContact O-N 2.94Å; L190-Y194 WeakPolarHBondContact O-CB 3.47Å; L190-Y194 PolarHBondContact O-N 3.4Å; L190-Y194 VanDerWaalsContact O-N 3.13Å; L190-T308 HydrophobicContact CB-CG2 4.12Å; L190-T308 HydrophobicContact CD1-CG2 4.45Å; L190-L309 HydrophobicContact CD1-CD1 3.95Å; L190-A312 HydrophobicContact CD1-CB 4.45Å; L190-A312 HydrophobicContact CD2-CB 3.95Å
191L98.1Very high96.9Very high1 Ų127.9 Ų27.91%0.00514%0.144CC..Hα-helixtrans-59.9-53.8179174.262.2000111.4L159 Q160 I163 L179 G187 C188 R189 T195 L241L159-L191 HydrophobicContact CD2-CD1 4.07Å; L159-L191 HydrophobicContact CD2-CD2 3.8Å; L159-L191 HydrophobicContact CG-CD1 3.91Å; Q160-L191 HydrophobicContact CB-CD1 3.85Å; I163-L191 HydrophobicContact CD1-CD1 4.1Å; L179-L191 HydrophobicContact CD1-CD2 3.87Å; L179-L191 HydrophobicContact CD2-CD2 4.37Å; G187-L191 VanDerWaalsContact O-CB 3.32Å; G187-L191 WeakPolarHBondContact O-CB 3.33Å; G187-L191 PolarHBondContact O-N 3.18Å; C188-L191 PolarHBondContact O-N 3.35Å; R189-L191 PolarHBondContact O-N 2.88Å; L191-T195 HydrophobicContact CD1-CG2 3.96Å; L191-T195 WeakPolarHBondContact O-CB 3.47Å; L191-T195 VanDerWaalsContact O-CG2 3.3Å; L191-T195 WeakPolarHBondContact O-CG2 3.44Å; L191-T195 PolarHBondContact O-N 2.86Å; L191-T195 VanDerWaalsContact O-N 3.11Å; L191-T195 PolarHBondContact O-OG1 2.94Å; L191-L241 HydrophobicContact CD2-CD1 4Å
192M96.5Very high96.9Very high34 Ų3433.2 Ų33.217%0.16717%0.172CC..Hα-helixtrans-67.1-48.3-174.1-65-179.4-160.700111.5C188 R189 Y194 T195 G196 D199 Y239 L241C188-M192 HydrophobicContact CB-CE 4.41Å; C188-M192 WeakPolarHBondContact O-CG 3.31Å; C188-M192 PolarHBondContact O-N 3.48Å; R189-M192 PolarHBondContact O-N 2.91Å; M192-Y194 VanDerWaalsContact C-N 3.35Å; M192-Y194 PolarHBondContact O-N 3.37Å; M192-T195 PolarHBondContact O-N 2.86Å; M192-T195 PolarHBondContact O-OG1 3.05Å; M192-G196 WeakPolarHBondContact O-CA 3.18Å; M192-G196 PolarHBondContact O-N 2.66Å; M192-D199 HydrophobicContact SD-CB 4.47Å; M192-Y239 HydrophobicContact CE-CD1 4.19Å; M192-Y239 HydrophobicContact CE-CE1 4.15Å; M192-L241 HydrophobicContact CE-CD1 4.48Å; M192-L241 HydrophobicContact CE-CD2 3.99Å
193S94.2Very high97Very high44 Ų4435.3 Ų35.331%0.30818%0.181SC..Hα-helixtrans-66.4-35-177.5-58.50000112.6R189R189-S193 VanDerWaalsContact O-CB 3.27Å; R189-S193 WeakPolarHBondContact O-CB 3.45Å; R189-S193 PolarHBondContact O-N 3.48Å; R189-S193 PolarHBondContact O-OG 2.88Å; R189-S193 VanDerWaalsContact O-OG 3.09Å
194Y94.3Very high97Very high24 Ų2435.2 Ų35.29%0.09418%0.181CC..Hα-helixtrans-80.4-30.9-178.7-148.4-75000113.1W157 Q160 R164 L190 M192 L305 L309 A404 L408W157-Y194 HydrophobicContact CH2-CE2 4.13Å; W157-Y194 HydrophobicContact CZ3-CD2 4.12Å; W157-Y194 AromaticContact CZ3-CE2 3.8Å; W157-Y194 HydrophobicContact CZ3-CE2 3.8Å; Q160-Y194 HydrophobicContact CG-CD1 4.43Å; Q160-Y194 HydrophobicContact CG-CG 4.39Å; R164-Y194 PolarHBondContact NH1-O 2.93Å; L190-Y194 WeakPolarHBondContact O-CB 3.47Å; L190-Y194 PolarHBondContact O-N 3.4Å; L190-Y194 VanDerWaalsContact O-N 3.13Å; M192-Y194 VanDerWaalsContact C-N 3.35Å; M192-Y194 PolarHBondContact O-N 3.37Å; Y194-L305 HydrophobicContact CD2-CD1 3.64Å; Y194-L305 HydrophobicContact CD2-CD2 4.15Å; Y194-L305 HydrophobicContact CD2-CG 4.2Å; Y194-L305 HydrophobicContact CE2-CD2 4.49Å; Y194-L305 HydrophobicContact CG-CD1 4.15Å; Y194-L309 HydrophobicContact CE2-CD2 4.15Å; Y194-A404 HydrophobicContact CE2-CB 4.42Å; Y194-A404 WeakPolarHBondContact OH-CB 3.03Å; Y194-L408 HydrophobicContact CE2-CD1 4.07Å
195T96.1Very high96.9Very high5 Ų534.3 Ų34.33%0.03119%0.194CC..Hα-helixtrans-91.1-26.8179.459.10000113.4Q160 I163 R164 L191 M192 L197 K243Q160-T195 HydrophobicContact CB-CG2 3.56Å; I163-T195 HydrophobicContact CG2-CG2 4.41Å; R164-T195 HydrophobicContact CG-CG2 4.36Å; L191-T195 HydrophobicContact CD1-CG2 3.96Å; L191-T195 WeakPolarHBondContact O-CB 3.47Å; L191-T195 VanDerWaalsContact O-CG2 3.3Å; L191-T195 WeakPolarHBondContact O-CG2 3.44Å; L191-T195 PolarHBondContact O-N 2.86Å; L191-T195 VanDerWaalsContact O-N 3.11Å; L191-T195 PolarHBondContact O-OG1 2.94Å; M192-T195 PolarHBondContact O-N 2.86Å; M192-T195 PolarHBondContact O-OG1 3.05Å; T195-L197 HydrophobicContact CG2-CD1 4.21Å; T195-L197 WeakPolarHBondContact OG1-CB 3.31Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.42Å; T195-L197 VanDerWaalsContact OG1-CG 3.24Å; T195-L197 WeakPolarHBondContact OG1-CG 3.48Å; T195-L197 PolarHBondContact OG1-N 3.11Å; T195-L197 VanDerWaalsContact OG1-N 3.14Å; T195-K243 WeakPolarHBondContact O-CD 3.2Å; T195-K243 PolarHBondContact O-NZ 3.18Å
196G95.3Very high96.9Very high44 Ų4440.1 Ų40.145%0.45422%0.218SC..THydrogen-bonded Turntrans68.522-16700000112.9M192M192-G196 WeakPolarHBondContact O-CA 3.18Å; M192-G196 PolarHBondContact O-N 2.66Å
197L97.9Very high96.9Very high10 Ų1042.8 Ų42.85%0.05223%0.229CC..  trans-66.2143.1169.6-75.4167.3000109.8I163 V173 V175 T195 L241 K243I163-L197 HydrophobicContact CD1-CD1 4.08Å; V173-L197 HydrophobicContact CG1-CD2 3.83Å; V175-L197 HydrophobicContact CG2-CD1 3.79Å; V175-L197 HydrophobicContact CG2-CD2 4.15Å; T195-L197 HydrophobicContact CG2-CD1 4.21Å; T195-L197 WeakPolarHBondContact OG1-CB 3.31Å; T195-L197 WeakPolarHBondContact OG1-CD1 3.42Å; T195-L197 VanDerWaalsContact OG1-CG 3.24Å; T195-L197 WeakPolarHBondContact OG1-CG 3.48Å; T195-L197 PolarHBondContact OG1-N 3.11Å; T195-L197 VanDerWaalsContact OG1-N 3.14Å; L197-L241 HydrophobicContact CB-CB 4.14Å; L197-L241 HydrophobicContact CB-CD1 4.47Å; L197-L241 HydrophobicContact CD1-CB 4.35Å; L197-L241 HydrophobicContact CD1-CD1 4.22Å; L197-L241 HydrophobicContact CD2-CB 4.39Å; L197-K243 HydrophobicContact CD2-CB 3.81Å
198K98.2Very high96.9Very high85 Ų8546.7 Ų46.737%0.3725%0.251SS..EExtended strand (participates in β ladder)trans-104.5141.1177-63.7176.8154.9-145.30110.2E203 L241 F242K198-E203 HydrophobicContact CB-CG 3.77Å; K198-E203 HydrophobicContact CD-CG 4.18Å; K198-E203 HydrophobicContact CG-CG 4.4Å; K198-E203 IonicContact NZ-OE1 2.77Å; K198-E203 IonicContact NZ-OE2 2.82Å; K198-E203 PolarHBondContact NZ-OE2 2.98Å; K198-L241 CarbonylContact O-C 3.2Å; K198-L241 WeakPolarHBondContact O-CA 3.3Å; K198-F242 HydrophobicContact CB-CD2 4.38Å; K198-F242 HydrophobicContact CB-CE1 4.35Å; K198-F242 HydrophobicContact CB-CE2 4.05Å; K198-F242 HydrophobicContact CB-CZ 4.03Å; K198-F242 HydrophobicContact CD-CE2 3.86Å; K198-F242 HydrophobicContact CD-CZ 4.28Å; K198-F242 PolarHBondContact N-O 2.93Å; K198-F242 PolarHBondContact O-N 2.82Å
199D98.4Very high96.9Very high9 Ų947.6 Ų47.65%0.04826%0.26CS..EExtended strand (participates in β ladder)trans-85.5120.6177-179.6-4.4000110.3M192 Y201 I202 E203 R236 L241M192-D199 HydrophobicContact SD-CB 4.47Å; D199-Y201 PolarHBondContact O-N 3.15Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.33Å; D199-Y201 PolarHBondContact OD1-N 2.87Å; D199-I202 HydrophobicContact CB-CB 4.15Å; D199-I202 HydrophobicContact CB-CG1 3.92Å; D199-I202 PolarHBondContact O-N 2.96Å; D199-I202 WeakPolarHBondContact OD2-CG1 3.45Å; D199-E203 WeakPolarHBondContact O-CG 3.21Å; D199-E203 PolarHBondContact O-N 3.19Å; D199-R236 IonicContact OD1-NH1 3.3Å; D199-R236 PolarHBondContact OD1-NH1 3.12Å; D199-R236 IonicContact OD2-CZ 2.84Å; D199-R236 VanDerWaalsContact OD2-CZ 3.24Å; D199-R236 IonicContact OD2-NH1 2.73Å; D199-R236 PolarHBondContact OD2-NH1 3.26Å; D199-R236 IonicContact OD2-NH2 3.1Å; D199-R236 PolarHBondContact OD2-NH2 2.71Å; D199-L241 HydrophobicContact CB-CD2 3.89Å
200S98.4Very high96.7Very high0 Ų045.3 Ų45.30%025%0.253CS..Hα-helixtrans-56.8-33.3-179.6-57.60000112.9I202 T204 I240 F242 M255S200-I202 VanDerWaalsContact C-N 3.33Å; S200-T204 WeakPolarHBondContact O-CB 3.28Å; S200-T204 WeakPolarHBondContact O-CG2 3.19Å; S200-T204 PolarHBondContact O-N 3.4Å; S200-I240 VanDerWaalsContact CB-O 3.22Å; S200-I240 WeakPolarHBondContact CB-O 3.44Å; S200-I240 PolarHBondContact N-O 3.37Å; S200-I240 PolarHBondContact OG-O 3.44Å; S200-F242 WeakPolarHBondContact OG-CD1 3.46Å; S200-M255 WeakPolarHBondContact CB-SD 2.96Å
201Y98.1Very high96.5Very high50 Ų5050.1 Ų50.120%0.19628%0.276CS..Hα-helixtrans-68.6-36.7179.8175.6-102.4000111.7D199 F207 N212 R236 M255D199-Y201 PolarHBondContact O-N 3.15Å; D199-Y201 WeakPolarHBondContact OD1-CB 3.33Å; D199-Y201 PolarHBondContact OD1-N 2.87Å; Y201-F207 AromaticContact CD2-CD2 3.75Å; Y201-F207 HydrophobicContact CD2-CD2 3.75Å; Y201-F207 AromaticContact CD2-CE2 3.68Å; Y201-F207 HydrophobicContact CD2-CE2 3.68Å; Y201-F207 HydrophobicContact CD2-CG 4.29Å; Y201-F207 HydrophobicContact CD2-CZ 4.17Å; Y201-F207 HydrophobicContact CE2-CD1 4.01Å; Y201-F207 AromaticContact CE2-CD2 3.83Å; Y201-F207 HydrophobicContact CE2-CD2 3.83Å; Y201-F207 AromaticContact CE2-CE1 3.95Å; Y201-F207 HydrophobicContact CE2-CE1 3.95Å; Y201-F207 AromaticContact CE2-CE2 3.76Å; Y201-F207 HydrophobicContact CE2-CE2 3.76Å; Y201-F207 AromaticContact CE2-CG 3.95Å; Y201-F207 HydrophobicContact CE2-CG 3.95Å; Y201-F207 AromaticContact CE2-CZ 3.83Å; Y201-F207 HydrophobicContact CE2-CZ 3.83Å; Y201-N212 VanDerWaalsContact CZ-C 3.41Å; Y201-N212 VanDerWaalsContact OH-C 3.27Å; Y201-N212 WeakPolarHBondContact OH-CA 3.45Å; Y201-R236 VanDerWaalsContact CB-NH1 3.34Å; Y201-R236 VanDerWaalsContact CD1-CZ 3.49Å; Y201-M255 WeakPolarHBondContact CA-SD 3.15Å; Y201-M255 PolarHBondContact N-SD 3.27Å
202I97.6Very high96.3Very high113 Ų11355 Ų5558%0.57930%0.302SS*.Hα-helixtrans-79.8-35.8-179.3-58.8-63.2000111D199 S200D199-I202 HydrophobicContact CB-CB 4.15Å; D199-I202 HydrophobicContact CB-CG1 3.92Å; D199-I202 PolarHBondContact O-N 2.96Å; D199-I202 WeakPolarHBondContact OD2-CG1 3.45Å; S200-I202 VanDerWaalsContact C-N 3.33Å
203E97.7Very high96.3Very high84 Ų8453.5 Ų53.539%0.39330%0.295SS..Hα-helixtrans-81.3-25-177.2-66-76136.600113.7K198 D199 F242 C252K198-E203 HydrophobicContact CB-CG 3.77Å; K198-E203 HydrophobicContact CD-CG 4.18Å; K198-E203 HydrophobicContact CG-CG 4.4Å; K198-E203 IonicContact NZ-OE1 2.77Å; K198-E203 IonicContact NZ-OE2 2.82Å; K198-E203 PolarHBondContact NZ-OE2 2.98Å; D199-E203 WeakPolarHBondContact O-CG 3.21Å; D199-E203 PolarHBondContact O-N 3.19Å; E203-F242 HydrophobicContact CB-CE1 4.43Å; E203-F242 HydrophobicContact CB-CZ 4.09Å; E203-F242 HydrophobicContact CG-CE1 4.43Å; E203-F242 HydrophobicContact CG-CZ 3.99Å; E203-C252 HydrophobicContact CB-CB 4.36Å
204T96.7Very high96.4Very high18 Ų1852.2 Ų52.211%0.1128%0.284CS..  trans-70.2138.1-178.1-171.60000111.9S200 K206 F207 F254 M255S200-T204 WeakPolarHBondContact O-CB 3.28Å; S200-T204 WeakPolarHBondContact O-CG2 3.19Å; S200-T204 PolarHBondContact O-N 3.4Å; T204-K206 PolarHBondContact OG1-N 3.49Å; T204-K206 PolarHBondContact OG1-O 2.96Å; T204-F207 HydrophobicContact CG2-CB 4.14Å; T204-F254 WeakPolarHBondContact OG1-CA 3.47Å; T204-M255 HydrophobicContact CG2-CB 3.89Å
205A92.2Very high96.5Very high103 Ų10351.1 Ų51.185%0.85128%0.28SS*.SBendtrans-84.7-15.4167.700000112.7
206K97.4Very high96.5Very high144 Ų14452 Ų5263%0.62628%0.284SS*.  trans-129115.4-175.1-64.3178.4-176.6172.80109.6T204 F254 M255T204-K206 PolarHBondContact OG1-N 3.49Å; T204-K206 PolarHBondContact OG1-O 2.96Å; K206-F254 HydrophobicContact CB-CD2 3.84Å; K206-F254 WeakPolarHBondContact O-CD2 3.47Å; K206-M255 PolarHBondContact O-N 3.03Å; K206-M255 VanDerWaalsContact O-N 3.1Å
207F97.8Very high96.6Very high68 Ų6850.4 Ų50.430%0.29827%0.265SS..EExtended strand (participates in β ladder)trans-128.2133.6-178.7177.1-101.9000110.9Y201 T204 C210 M255 T257Y201-F207 AromaticContact CD2-CD2 3.75Å; Y201-F207 HydrophobicContact CD2-CD2 3.75Å; Y201-F207 AromaticContact CD2-CE2 3.68Å; Y201-F207 HydrophobicContact CD2-CE2 3.68Å; Y201-F207 HydrophobicContact CD2-CG 4.29Å; Y201-F207 HydrophobicContact CD2-CZ 4.17Å; Y201-F207 HydrophobicContact CE2-CD1 4.01Å; Y201-F207 AromaticContact CE2-CD2 3.83Å; Y201-F207 HydrophobicContact CE2-CD2 3.83Å; Y201-F207 AromaticContact CE2-CE1 3.95Å; Y201-F207 HydrophobicContact CE2-CE1 3.95Å; Y201-F207 AromaticContact CE2-CE2 3.76Å; Y201-F207 HydrophobicContact CE2-CE2 3.76Å; Y201-F207 AromaticContact CE2-CG 3.95Å; Y201-F207 HydrophobicContact CE2-CG 3.95Å; Y201-F207 AromaticContact CE2-CZ 3.83Å; Y201-F207 HydrophobicContact CE2-CZ 3.83Å; T204-F207 HydrophobicContact CG2-CB 4.14Å; F207-C210 WeakPolarHBondContact CE1-O 3.4Å; F207-C210 WeakPolarHBondContact CZ-O 3.43Å; F207-M255 VanDerWaalsContact CA-O 3.28Å; F207-M255 WeakPolarHBondContact CA-O 3.06Å; F207-M255 HydrophobicContact CD2-CB 4.29Å; F207-M255 HydrophobicContact CD2-CG 4.43Å; F207-M255 WeakPolarHBondContact CD2-O 3.48Å; F207-T257 HydrophobicContact CE2-CG2 4.04Å; F207-T257 HydrophobicContact CZ-CG2 4.06Å
208D97.6Very high96.4Very high83 Ų8350.7 Ų50.744%0.44427%0.269SS..EExtended strand (participates in β ladder)trans-129.2109.4170.9-177.730.9000110.7F254 M255 S256 T257 K259D208-F254 HydrophobicContact CB-CE2 4.13Å; D208-F254 HydrophobicContact CB-CZ 3.86Å; D208-M255 PolarHBondContact N-O 3.33Å; D208-M255 VanDerWaalsContact N-O 3.11Å; D208-S256 CarbonylContact O-C 3.5Å; D208-S256 WeakPolarHBondContact O-CA 3.44Å; D208-S256 WeakPolarHBondContact O-CB 3.07Å; D208-T257 PolarHBondContact O-N 2.96Å; D208-K259 WeakPolarHBondContact OD1-CE 3.38Å; D208-K259 IonicContact OD1-NZ 3.26Å; D208-K259 PolarHBondContact OD1-NZ 3.49Å; D208-K259 IonicContact OD2-NZ 3.97Å
209G96Very high96Very high19 Ų1953.6 Ų53.620%0.19629%0.288CS..SBendtrans174.1-161.1-173.700000113.3T257 K259G209-T257 VanDerWaalsContact CA-OG1 3.24Å; G209-T257 WeakPolarHBondContact CA-OG1 3.31Å; G209-K259 VanDerWaalsContact CA-CE 3.42Å
210C95Very high95.8Very high13 Ų1353.4 Ų53.49%0.08829%0.288CS..SBendtrans-64.5147.1174-64.40000111.2F207 N212 G213 M214 I217 T257 T258F207-C210 WeakPolarHBondContact CE1-O 3.4Å; F207-C210 WeakPolarHBondContact CZ-O 3.43Å; C210-N212 PolarHBondContact O-N 3.33Å; C210-G213 PolarHBondContact O-N 2.94Å; C210-M214 HydrophobicContact CB-CB 4.19Å; C210-M214 VanDerWaalsContact CB-O 3.31Å; C210-M214 WeakPolarHBondContact CB-O 2.96Å; C210-I217 HydrophobicContact CB-CG2 4.15Å; C210-T257 PolarHBondContact N-OG1 3.43Å; C210-T258 PolarHBondContact SG-O 3.01Å
211E93.4Very high95.5Very high102 Ų10259.2 Ų59.248%0.47732%0.318SS..G310 helixtrans-49.8140174.6-170.7-176.1171.500110.2G213 M214 K233E211-G213 PolarHBondContact O-N 3.09Å; E211-M214 HydrophobicContact CB-CE 3.97Å; E211-M214 WeakPolarHBondContact O-CE 3.4Å; E211-M214 WeakPolarHBondContact O-CG 3.15Å; E211-M214 PolarHBondContact O-N 3.28Å; E211-M214 VanDerWaalsContact O-N 3.1Å; E211-K233 IonicContact OE1-NZ 3.25Å; E211-K233 PolarHBondContact OE1-NZ 3.06Å; E211-K233 IonicContact OE2-NZ 2.74Å; E211-K233 PolarHBondContact OE2-NZ 3.41Å
212N93.9Very high95.3Very high103 Ų10358.1 Ų58.155%0.55131%0.314SS*.G310 helixtrans55.117.5-179.5-57.3-36.1000115.6Y201 C210 M214 R236Y201-N212 VanDerWaalsContact CZ-C 3.41Å; Y201-N212 VanDerWaalsContact OH-C 3.27Å; Y201-N212 WeakPolarHBondContact OH-CA 3.45Å; C210-N212 PolarHBondContact O-N 3.33Å; N212-M214 PolarHBondContact O-N 3.44Å; N212-R236 WeakPolarHBondContact O-CD 3.3Å
213G95.2Very high94.9Very high2 Ų253.7 Ų53.72%0.02129%0.292CS..G310 helixtrans66.923.6-177.100000113.6C210 E211 T215 R236C210-G213 PolarHBondContact O-N 2.94Å; E211-G213 PolarHBondContact O-N 3.09Å; G213-T215 PolarHBondContact O-N 2.92Å; G213-R236 WeakPolarHBondContact O-CD 3.39Å; G213-R236 WeakPolarHBondContact O-CG 3.34Å
214M97.2Very high94.4Very high18 Ų1852 Ų529%0.08929%0.289CS..  trans-56.3136.7-178.8-67.5173.5-47.700111.5C210 E211 N212 I217 K233 G234C210-M214 HydrophobicContact CB-CB 4.19Å; C210-M214 VanDerWaalsContact CB-O 3.31Å; C210-M214 WeakPolarHBondContact CB-O 2.96Å; E211-M214 HydrophobicContact CB-CE 3.97Å; E211-M214 WeakPolarHBondContact O-CE 3.4Å; E211-M214 WeakPolarHBondContact O-CG 3.15Å; E211-M214 PolarHBondContact O-N 3.28Å; E211-M214 VanDerWaalsContact O-N 3.1Å; N212-M214 PolarHBondContact O-N 3.44Å; M214-I217 HydrophobicContact CB-CG2 3.85Å; M214-I217 HydrophobicContact CE-CG2 4.45Å; M214-K233 HydrophobicContact CE-CB 4.08Å; M214-K233 HydrophobicContact SD-CB 3.94Å; M214-G234 VanDerWaalsContact SD-CA 3.5Å
215T97.3Very high93.9Very high0 Ų057.9 Ų57.90%031%0.313CS..SBendtrans-116.4-20.6-177.758.70000112.5G213 I235 I237 D238 H272 E273 L275G213-T215 PolarHBondContact O-N 2.92Å; T215-I235 PolarHBondContact N-O 2.93Å; T215-I237 PolarHBondContact OG1-N 2.93Å; T215-D238 WeakPolarHBondContact CB-OD2 3.32Å; T215-D238 HydrophobicContact CG2-CB 3.89Å; T215-D238 PolarHBondContact OG1-N 3.21Å; T215-D238 PolarHBondContact OG1-OD2 3.09Å; T215-H272 CarbonylContact O-C 3.36Å; T215-H272 VanDerWaalsContact O-CA 3.28Å; T215-H272 WeakPolarHBondContact O-CA 3.45Å; T215-E273 PolarHBondContact O-N 3.36Å; T215-L275 HydrophobicContact CG2-CD1 4.03Å; T215-L275 HydrophobicContact CG2-CD2 4.09Å; T215-L275 HydrophobicContact CG2-CG 4.15Å
216L96.3Very high93.5Very high25 Ų2559 Ų5913%0.13131%0.305CS..EExtended strand (participates in β ladder)trans-107.3115.4159.4-71.6-176.2000108.1I223 L228 G234 I235 I237 D271 H272L216-I223 HydrophobicContact CD2-CD1 3.61Å; L216-I223 HydrophobicContact CD2-CG1 4.23Å; L216-L228 HydrophobicContact CB-CD2 4.04Å; L216-G234 CarbonylContact O-C 3.51Å; L216-G234 WeakPolarHBondContact O-CA 3.1Å; L216-I235 HydrophobicContact CB-CG2 3.7Å; L216-I235 HydrophobicContact CD1-CG2 3.85Å; L216-I235 HydrophobicContact CG-CG2 4.27Å; L216-I235 PolarHBondContact N-O 2.83Å; L216-I235 PolarHBondContact O-N 2.77Å; L216-I237 HydrophobicContact CD1-CD1 3.35Å; L216-I237 HydrophobicContact CD1-CG1 4.11Å; L216-I237 HydrophobicContact CG-CD1 3.79Å; L216-I237 HydrophobicContact CG-CG1 4.09Å; L216-D271 WeakPolarHBondContact CD2-O 3.35Å; L216-H272 HydrophobicContact CD2-CB 4.48Å; L216-H272 WeakPolarHBondContact CD2-CD2 3.48Å
217I95.6Very high92.8Very high10 Ų1059 Ų595%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-116.2145.1-175.464.6174.6000112.1C210 M214 D219 N220 E273C210-I217 HydrophobicContact CB-CG2 4.15Å; M214-I217 HydrophobicContact CB-CG2 3.85Å; M214-I217 HydrophobicContact CE-CG2 4.45Å; I217-D219 PolarHBondContact O-N 3.03Å; I217-N220 HydrophobicContact CG1-CB 3.82Å; I217-N220 WeakPolarHBondContact O-CB 3.38Å; I217-N220 PolarHBondContact O-N 2.91Å; I217-E273 HydrophobicContact CD1-CG 4.21Å; I217-E273 WeakPolarHBondContact CD1-OE1 2.97Å; I217-E273 HydrophobicContact CG1-CG 4.35Å; I217-E273 HydrophobicContact CG2-CG 4.25Å
218A93.9Very high92.3Very high16 Ų1655.9 Ų55.913%0.13229%0.293CS..THydrogen-bonded Turntrans-65.1-20.7-178.100000114.1N220 L228 E232 K233A218-N220 VanDerWaalsContact C-N 3.35Å; A218-L228 HydrophobicContact CB-CD1 3.65Å; A218-E232 VanDerWaalsContact CB-O 3.26Å; A218-E232 WeakPolarHBondContact CB-O 3.41Å; A218-K233 PolarHBondContact N-O 3.43Å; A218-K233 VanDerWaalsContact N-O 3.12Å
219D91.1Very high91.8Very high145 Ų14556.2 Ų56.278%0.77529%0.294SS*.THydrogen-bonded Turntrans-86.7-4.9177.7-68.2-21.2000112.9I217 L221I217-D219 PolarHBondContact O-N 3.03Å; D219-L221 PolarHBondContact O-N 3.1Å
220N93.6Very high91.5Very high6 Ų659.5 Ų59.53%0.03231%0.312CS..  trans-72.3128.4176.3-168.2-54.9000110I217 A218 F222 I223 S270 D271 E273I217-N220 HydrophobicContact CG1-CB 3.82Å; I217-N220 WeakPolarHBondContact O-CB 3.38Å; I217-N220 PolarHBondContact O-N 2.91Å; A218-N220 VanDerWaalsContact C-N 3.35Å; N220-F222 PolarHBondContact O-N 2.73Å; N220-F222 VanDerWaalsContact O-N 3.08Å; N220-F222 PolarHBondContact OD1-N 2.84Å; N220-I223 HydrophobicContact CB-CB 4.38Å; N220-I223 HydrophobicContact CB-CG1 4.03Å; N220-I223 PolarHBondContact O-N 3.5Å; N220-S270 PolarHBondContact ND2-O 3.06Å; N220-D271 PolarHBondContact ND2-O 3.3Å; N220-E273 PolarHBondContact ND2-OE1 2.8Å
221L92Very high91.3Very high121 Ų12161.3 Ų61.363%0.63432%0.318SS*.THydrogen-bonded Turntrans-62.8-16.7-176.1-65.7172.3000114.3D219D219-L221 PolarHBondContact O-N 3.1Å
222F93.2Very high91.2Very high28 Ų2864.7 Ų64.712%0.12333%0.334CS..THydrogen-bonded Turntrans-101.5-10.5-177.2-58.5-43.1000113.9W17 K24 N220 L267 P268 D271W17-F222 HydrophobicContact CE3-CB 4.37Å; W17-F222 HydrophobicContact CE3-CD2 4.03Å; W17-F222 HydrophobicContact CE3-CG 4.16Å; W17-F222 HydrophobicContact CH2-CB 3.81Å; W17-F222 AromaticContact CH2-CD1 3.98Å; W17-F222 HydrophobicContact CH2-CD1 3.98Å; W17-F222 AromaticContact CH2-CG 3.87Å; W17-F222 HydrophobicContact CH2-CG 3.87Å; W17-F222 HydrophobicContact CZ2-CB 4.43Å; W17-F222 HydrophobicContact CZ3-CB 3.77Å; W17-F222 AromaticContact CZ3-CD1 3.7Å; W17-F222 HydrophobicContact CZ3-CD1 3.7Å; W17-F222 AromaticContact CZ3-CD2 3.69Å; W17-F222 HydrophobicContact CZ3-CD2 3.69Å; W17-F222 HydrophobicContact CZ3-CE1 4.19Å; W17-F222 HydrophobicContact CZ3-CE2 4.17Å; W17-F222 AromaticContact CZ3-CG 3.43Å; W17-F222 HydrophobicContact CZ3-CG 3.43Å; W17-F222 VanDerWaalsContact CZ3-CG 3.43Å; W17-F222 HydrophobicContact CZ3-CZ 4.41Å; K24-F222 HydrophobicContact CB-CD1 4.42Å; K24-F222 HydrophobicContact CB-CE1 4.01Å; K24-F222 HydrophobicContact CD-CD1 4.4Å; K24-F222 HydrophobicContact CD-CE1 4.48Å; N220-F222 PolarHBondContact O-N 2.73Å; N220-F222 VanDerWaalsContact O-N 3.08Å; N220-F222 PolarHBondContact OD1-N 2.84Å; F222-L267 HydrophobicContact CZ-CD2 4.17Å; F222-P268 HydrophobicContact CD2-CG 3.63Å; F222-P268 HydrophobicContact CE2-CG 3.44Å; F222-P268 VanDerWaalsContact CE2-CG 3.44Å; F222-P268 HydrophobicContact CZ-CG 4.25Å; F222-D271 HydrophobicContact CB-CB 3.57Å; F222-D271 HydrophobicContact CD2-CB 4.43Å; F222-D271 HydrophobicContact CG-CB 4.49Å
223I90.9Very high91.2Very high20 Ų2065.8 Ų65.810%0.10333%0.334CS..  trans-93.6137-178.1-64.2-62.5000111.4L216 N220 L228 D271L216-I223 HydrophobicContact CD2-CD1 3.61Å; L216-I223 HydrophobicContact CD2-CG1 4.23Å; N220-I223 HydrophobicContact CB-CB 4.38Å; N220-I223 HydrophobicContact CB-CG1 4.03Å; N220-I223 PolarHBondContact O-N 3.5Å; I223-L228 HydrophobicContact CG2-CD1 3.81Å; I223-L228 HydrophobicContact CG2-CD2 4.05Å; I223-L228 HydrophobicContact CG2-CG 3.78Å; I223-D271 HydrophobicContact CD1-CB 3.68Å; I223-D271 HydrophobicContact CG1-CB 4.11Å; I223-D271 WeakPolarHBondContact CG1-O 3.19Å
224S87.3Confident91.1Very high48 Ų4866 Ų6634%0.33634%0.336SS..  trans-84.3128.5169.8179.90000110.2N226 E227S224-N226 PolarHBondContact O-N 2.91Å; S224-N226 VanDerWaalsContact O-N 3.08Å; S224-E227 VanDerWaalsContact CB-OE1 3.3Å; S224-E227 WeakPolarHBondContact CB-OE1 3.48Å; S224-E227 WeakPolarHBondContact O-CB 3.39Å; S224-E227 PolarHBondContact O-N 2.91Å
225K85.8Confident91.1Very high142 Ų14265.7 Ų65.762%0.61734%0.335SS*.THydrogen-bonded Turntrans-58.8-26.1177.7-65.4-172.9177.5-171.20113.5E227 L228K225-E227 VanDerWaalsContact C-N 3.28Å; K225-E227 PolarHBondContact O-N 3.42Å; K225-L228 PolarHBondContact O-N 3.39Å
226N84.1Confident91.1Very high127 Ų12766.5 Ų66.568%0.67934%0.338SS*.THydrogen-bonded Turntrans-69.2-28.1176.7-67.3-16.9000112.4S224 L228S224-N226 PolarHBondContact O-N 2.91Å; S224-N226 VanDerWaalsContact O-N 3.08Å; N226-L228 PolarHBondContact O-N 3.37Å
227E82.6Confident91.2Very high142 Ų14265.6 Ų65.666%0.66433%0.333SS*.THydrogen-bonded Turntrans-73-21.8177-67.1164.1-15700111.6S224 K225S224-E227 VanDerWaalsContact CB-OE1 3.3Å; S224-E227 WeakPolarHBondContact CB-OE1 3.48Å; S224-E227 WeakPolarHBondContact O-CB 3.39Å; S224-E227 PolarHBondContact O-N 2.91Å; K225-E227 VanDerWaalsContact C-N 3.28Å; K225-E227 PolarHBondContact O-N 3.42Å
228L87.4Confident91.4Very high4 Ų465.2 Ų65.22%0.02133%0.331CS..THydrogen-bonded Turntrans-86.3-12.2-179-64.7179000113.6L216 A218 I223 K225 N226 P230 F231 I235L216-L228 HydrophobicContact CB-CD2 4.04Å; A218-L228 HydrophobicContact CB-CD1 3.65Å; I223-L228 HydrophobicContact CG2-CD1 3.81Å; I223-L228 HydrophobicContact CG2-CD2 4.05Å; I223-L228 HydrophobicContact CG2-CG 3.78Å; K225-L228 PolarHBondContact O-N 3.39Å; N226-L228 PolarHBondContact O-N 3.37Å; L228-P230 CarbonylContact O-C 3.56Å; L228-F231 CarbonylContact O-C 3.31Å; L228-F231 VanDerWaalsContact O-C 3.31Å; L228-F231 WeakPolarHBondContact O-CA 3.41Å; L228-F231 VanDerWaalsContact O-CB 3.3Å; L228-F231 WeakPolarHBondContact O-CB 3.35Å; L228-F231 PolarHBondContact O-N 3.35Å; L228-I235 HydrophobicContact CD2-CG2 4.02Å
229I85.9Confident91.6Very high90 Ų9064.5 Ų64.546%0.46233%0.325SS..THydrogen-bonded Turntrans-62.1129.3-178.3-63.6174.4000109.9
230P89.7Confident92Very high87 Ų8757.6 Ų57.657%0.56529%0.288SS*.THydrogen-bonded Turncis-93.23.711.137-37.4000116L228 E232L228-P230 CarbonylContact O-C 3.56Å; P230-E232 PolarHBondContact O-N 3.22Å; P230-E232 VanDerWaalsContact O-N 3.12Å
231F91.7Very high92.2Very high51 Ų5157.4 Ų57.422%0.22429%0.287CS..  trans-82.972.9-179.2-51.6-79.4000112.9H182 L228 K233 G234 I235H182-F231 HydrophobicContact CB-CZ 4.41Å; H182-F231 AromaticContact CD2-CE1 3.88Å; H182-F231 AromaticContact CD2-CZ 3.93Å; H182-F231 AromaticContact CG-CZ 3.93Å; H182-F231 AromaticContact NE2-CE1 3.77Å; L228-F231 CarbonylContact O-C 3.31Å; L228-F231 VanDerWaalsContact O-C 3.31Å; L228-F231 WeakPolarHBondContact O-CA 3.41Å; L228-F231 VanDerWaalsContact O-CB 3.3Å; L228-F231 WeakPolarHBondContact O-CB 3.35Å; L228-F231 PolarHBondContact O-N 3.35Å; F231-K233 PolarHBondContact O-N 2.92Å; F231-G234 VanDerWaalsContact CB-O 3.31Å; F231-G234 WeakPolarHBondContact CB-O 3.42Å; F231-G234 PolarHBondContact O-N 3.44Å; F231-I235 HydrophobicContact CB-CB 4.27Å; F231-I235 HydrophobicContact CD2-CB 4.05Å; F231-I235 HydrophobicContact CD2-CD1 3.62Å; F231-I235 HydrophobicContact CD2-CG1 3.84Å; F231-I235 HydrophobicContact CE2-CD1 3.47Å; F231-I235 VanDerWaalsContact CE2-CD1 3.47Å; F231-I235 HydrophobicContact CE2-CG1 3.94Å; F231-I235 HydrophobicContact CG-CB 4.19Å; F231-I235 HydrophobicContact CG-CD1 4.48Å; F231-I235 HydrophobicContact CG-CG1 4.22Å; F231-I235 HydrophobicContact CZ-CD1 4.24Å; F231-I235 HydrophobicContact CZ-CG1 4.42Å
232E90.9Very high92.5Very high173 Ų17351.6 Ų51.681%0.80826%0.257SS*.THydrogen-bonded Turntrans-50.8-31-173-63.5-178.2174.100115.8A218 P230A218-E232 VanDerWaalsContact CB-O 3.26Å; A218-E232 WeakPolarHBondContact CB-O 3.41Å; P230-E232 PolarHBondContact O-N 3.22Å; P230-E232 VanDerWaalsContact O-N 3.12Å
233K92.8Very high92.7Very high126 Ų12654.3 Ų54.355%0.54827%0.269SS..THydrogen-bonded Turntrans-88.9-24.5179.1-66.8-175.1175.8-176.50113.7E211 M214 A218 F231E211-K233 IonicContact OE1-NZ 3.25Å; E211-K233 PolarHBondContact OE1-NZ 3.06Å; E211-K233 IonicContact OE2-NZ 2.74Å; E211-K233 PolarHBondContact OE2-NZ 3.41Å; M214-K233 HydrophobicContact CE-CB 4.08Å; M214-K233 HydrophobicContact SD-CB 3.94Å; A218-K233 PolarHBondContact N-O 3.43Å; A218-K233 VanDerWaalsContact N-O 3.12Å; F231-K233 PolarHBondContact O-N 2.92Å
234G95.1Very high92.9Very high7 Ų754.5 Ų54.57%0.07228%0.276CS..EExtended strand (participates in β ladder)trans140.5166.1-171.700000113.6M214 L216 F231M214-G234 VanDerWaalsContact SD-CA 3.5Å; L216-G234 CarbonylContact O-C 3.51Å; L216-G234 WeakPolarHBondContact O-CA 3.1Å; F231-G234 VanDerWaalsContact CB-O 3.31Å; F231-G234 WeakPolarHBondContact CB-O 3.42Å; F231-G234 PolarHBondContact O-N 3.44Å
235I96.3Very high93.2Very high12 Ų1253.7 Ų53.76%0.06227%0.27CS..EExtended strand (participates in β ladder)trans-129146.5-177.4-167.7-178.8000109.5H182 T215 L216 L228 F231 I237H182-I235 HydrophobicContact CB-CD1 4.17Å; H182-I235 HydrophobicContact CB-CG1 4.29Å; T215-I235 PolarHBondContact N-O 2.93Å; L216-I235 HydrophobicContact CB-CG2 3.7Å; L216-I235 HydrophobicContact CD1-CG2 3.85Å; L216-I235 HydrophobicContact CG-CG2 4.27Å; L216-I235 PolarHBondContact N-O 2.83Å; L216-I235 PolarHBondContact O-N 2.77Å; L228-I235 HydrophobicContact CD2-CG2 4.02Å; F231-I235 HydrophobicContact CB-CB 4.27Å; F231-I235 HydrophobicContact CD2-CB 4.05Å; F231-I235 HydrophobicContact CD2-CD1 3.62Å; F231-I235 HydrophobicContact CD2-CG1 3.84Å; F231-I235 HydrophobicContact CE2-CD1 3.47Å; F231-I235 VanDerWaalsContact CE2-CD1 3.47Å; F231-I235 HydrophobicContact CE2-CG1 3.94Å; F231-I235 HydrophobicContact CG-CB 4.19Å; F231-I235 HydrophobicContact CG-CD1 4.48Å; F231-I235 HydrophobicContact CG-CG1 4.22Å; F231-I235 HydrophobicContact CZ-CD1 4.24Å; F231-I235 HydrophobicContact CZ-CG1 4.42Å; I235-I237 HydrophobicContact CD1-CG2 3.91Å; I235-I237 HydrophobicContact CG1-CG2 3.96Å; I235-I237 HydrophobicContact CG2-CG2 4.17Å
236R97.6Very high93.3Very high16 Ų1652.1 Ų52.16%0.0628%0.277CS..  trans-99113.5174.7-176.5164.578.1107.8-3.6109.5H182 D199 Y201 N212 G213 Y239H182-R236 WeakPolarHBondContact CA-O 3.4Å; D199-R236 IonicContact OD1-NH1 3.3Å; D199-R236 PolarHBondContact OD1-NH1 3.12Å; D199-R236 IonicContact OD2-CZ 2.84Å; D199-R236 VanDerWaalsContact OD2-CZ 3.24Å; D199-R236 IonicContact OD2-NH1 2.73Å; D199-R236 PolarHBondContact OD2-NH1 3.26Å; D199-R236 IonicContact OD2-NH2 3.1Å; D199-R236 PolarHBondContact OD2-NH2 2.71Å; Y201-R236 VanDerWaalsContact CB-NH1 3.34Å; Y201-R236 VanDerWaalsContact CD1-CZ 3.49Å; N212-R236 WeakPolarHBondContact O-CD 3.3Å; G213-R236 WeakPolarHBondContact O-CD 3.39Å; G213-R236 WeakPolarHBondContact O-CG 3.34Å; R236-Y239 HydrophobicContact CG-CE1 4.47Å; R236-Y239 PolarHBondContact O-OH 2.98Å
237I98.1Very high93.5Very high7 Ų749 Ų494%0.03626%0.262CS..  trans-132.1-7.8-178.562.1168.9000114L179 T215 L216 I235 Y239L179-I237 PolarHBondContact N-O 3.35Å; T215-I237 PolarHBondContact OG1-N 2.93Å; L216-I237 HydrophobicContact CD1-CD1 3.35Å; L216-I237 HydrophobicContact CD1-CG1 4.11Å; L216-I237 HydrophobicContact CG-CD1 3.79Å; L216-I237 HydrophobicContact CG-CG1 4.09Å; I235-I237 HydrophobicContact CD1-CG2 3.91Å; I235-I237 HydrophobicContact CG1-CG2 3.96Å; I235-I237 HydrophobicContact CG2-CG2 4.17Å; I237-Y239 VanDerWaalsContact O-CD2 3.3Å; I237-Y239 WeakPolarHBondContact O-CD2 3.41Å; I237-Y239 WeakPolarHBondContact O-CE2 3.48Å
238D98.8Very high94Very high1 Ų142.2 Ų42.21%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-105.5144.6174.1-52-102.3000110.6G177 D178 T215 H272 L275G177-D238 WeakPolarHBondContact O-CA 3.4Å; D178-D238 WeakPolarHBondContact CB-OD1 3.33Å; T215-D238 WeakPolarHBondContact CB-OD2 3.32Å; T215-D238 HydrophobicContact CG2-CB 3.89Å; T215-D238 PolarHBondContact OG1-N 3.21Å; T215-D238 PolarHBondContact OG1-OD2 3.09Å; D238-H272 IonicContact OD1-CE1 3.93Å; D238-H272 IonicContact OD1-ND1 3.54Å; D238-H272 PolarHBondContact OD1-ND1 3.04Å; D238-H272 IonicContact OD2-CE1 2.84Å; D238-H272 IonicContact OD2-CG 3.3Å; D238-H272 IonicContact OD2-ND1 2.7Å; D238-H272 PolarHBondContact OD2-ND1 3.24Å; D238-L275 HydrophobicContact CB-CD1 3.42Å; D238-L275 VanDerWaalsContact CB-CD1 3.42Å; D238-L275 HydrophobicContact CB-CD2 4.06Å; D238-L275 HydrophobicContact CB-CG 4.41Å; D238-L275 WeakPolarHBondContact O-CD2 3.42Å
239Y98.8Very high94.3Very high2 Ų246.3 Ų46.31%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-141.2149.3-171.3-58.6-95.6000112G176 G177 L179 M181 P183 M192 R236 I237 L241G176-Y239 VanDerWaalsContact CA-O 3.29Å; G176-Y239 WeakPolarHBondContact CA-O 3.28Å; G177-Y239 PolarHBondContact N-O 2.99Å; G177-Y239 PolarHBondContact O-N 3Å; L179-Y239 HydrophobicContact CB-CD2 3.91Å; L179-Y239 HydrophobicContact CB-CE2 3.89Å; L179-Y239 HydrophobicContact CD1-CD2 3.49Å; L179-Y239 VanDerWaalsContact CD1-CD2 3.49Å; L179-Y239 HydrophobicContact CD1-CE2 3.87Å; L179-Y239 HydrophobicContact CD1-CG 4.04Å; L179-Y239 HydrophobicContact CG-CD2 3.57Å; L179-Y239 HydrophobicContact CG-CE2 4.04Å; L179-Y239 HydrophobicContact CG-CG 4.44Å; M181-Y239 WeakPolarHBondContact O-CE2 3.42Å; M181-Y239 PolarHBondContact O-OH 3.04Å; P183-Y239 WeakPolarHBondContact CA-OH 3.45Å; P183-Y239 WeakPolarHBondContact CD-OH 2.78Å; P183-Y239 HydrophobicContact CG-CE1 4.1Å; P183-Y239 WeakPolarHBondContact CG-OH 3.27Å; P183-Y239 VanDerWaalsContact N-OH 3.08Å; M192-Y239 HydrophobicContact CE-CD1 4.19Å; M192-Y239 HydrophobicContact CE-CE1 4.15Å; R236-Y239 HydrophobicContact CG-CE1 4.47Å; R236-Y239 PolarHBondContact O-OH 2.98Å; I237-Y239 VanDerWaalsContact O-CD2 3.3Å; I237-Y239 WeakPolarHBondContact O-CD2 3.41Å; I237-Y239 WeakPolarHBondContact O-CE2 3.48Å; Y239-L241 HydrophobicContact CD1-CD2 4.23Å; Y239-L241 HydrophobicContact CG-CD2 4.37Å
240I98.9Very high94.8Very high0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-117.9110.2157.9-60.8173.4000106.4V11 V175 S200 L275 A277V11-I240 HydrophobicContact CB-CD1 4.44Å; V11-I240 HydrophobicContact CB-CG2 4.31Å; V11-I240 HydrophobicContact CG1-CD1 4.26Å; V11-I240 HydrophobicContact CG1-CG2 4.06Å; V11-I240 WeakPolarHBondContact O-CD1 3.14Å; V175-I240 CarbonylContact O-C 3.52Å; V175-I240 WeakPolarHBondContact O-CA 3.37Å; S200-I240 VanDerWaalsContact CB-O 3.22Å; S200-I240 WeakPolarHBondContact CB-O 3.44Å; S200-I240 PolarHBondContact N-O 3.37Å; S200-I240 PolarHBondContact OG-O 3.44Å; I240-L275 HydrophobicContact CD1-CB 3.83Å; I240-L275 HydrophobicContact CG1-CB 4.2Å; I240-A277 HydrophobicContact CB-CB 4.29Å; I240-A277 HydrophobicContact CD1-CB 3.89Å; I240-A277 HydrophobicContact CG2-CB 3.96Å
241L98.9Very high95.2Very high1 Ų142.7 Ų42.71%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-108.6151.2179.9-46.8177.8000110.3I174 V175 L191 M192 L197 K198 D199 Y239I174-L241 CarbonylContact C-O 3.55Å; I174-L241 WeakPolarHBondContact CA-O 3.32Å; V175-L241 HydrophobicContact CB-CB 4.24Å; V175-L241 PolarHBondContact N-O 3.4Å; V175-L241 PolarHBondContact O-N 3.35Å; L191-L241 HydrophobicContact CD2-CD1 4Å; M192-L241 HydrophobicContact CE-CD1 4.48Å; M192-L241 HydrophobicContact CE-CD2 3.99Å; L197-L241 HydrophobicContact CB-CB 4.14Å; L197-L241 HydrophobicContact CB-CD1 4.47Å; L197-L241 HydrophobicContact CD1-CB 4.35Å; L197-L241 HydrophobicContact CD1-CD1 4.22Å; L197-L241 HydrophobicContact CD2-CB 4.39Å; K198-L241 CarbonylContact O-C 3.2Å; K198-L241 WeakPolarHBondContact O-CA 3.3Å; D199-L241 HydrophobicContact CB-CD2 3.89Å; Y239-L241 HydrophobicContact CD1-CD2 4.23Å; Y239-L241 HydrophobicContact CG-CD2 4.37Å
242F98.6Very high95.5Very high0 Ų040.7 Ų40.70%021%0.211CC..EExtended strand (participates in β ladder)trans-149.1160.4-18066.4-94.7000114.2V173 K198 S200 E203 I250 C252 L279V173-F242 CarbonylContact O-C 3.42Å; V173-F242 WeakPolarHBondContact O-CA 3.46Å; K198-F242 HydrophobicContact CB-CD2 4.38Å; K198-F242 HydrophobicContact CB-CE1 4.35Å; K198-F242 HydrophobicContact CB-CE2 4.05Å; K198-F242 HydrophobicContact CB-CZ 4.03Å; K198-F242 HydrophobicContact CD-CE2 3.86Å; K198-F242 HydrophobicContact CD-CZ 4.28Å; K198-F242 PolarHBondContact N-O 2.93Å; K198-F242 PolarHBondContact O-N 2.82Å; S200-F242 WeakPolarHBondContact OG-CD1 3.46Å; E203-F242 HydrophobicContact CB-CE1 4.43Å; E203-F242 HydrophobicContact CB-CZ 4.09Å; E203-F242 HydrophobicContact CG-CE1 4.43Å; E203-F242 HydrophobicContact CG-CZ 3.99Å; F242-I250 HydrophobicContact CB-CD1 4Å; F242-I250 HydrophobicContact CD2-CB 4.19Å; F242-I250 HydrophobicContact CD2-CD1 4.05Å; F242-I250 HydrophobicContact CD2-CG1 3.85Å; F242-I250 HydrophobicContact CD2-CG2 3.42Å; F242-I250 VanDerWaalsContact CD2-CG2 3.42Å; F242-I250 HydrophobicContact CE2-CG1 4.26Å; F242-I250 HydrophobicContact CE2-CG2 3.88Å; F242-I250 HydrophobicContact CG-CD1 4.18Å; F242-I250 HydrophobicContact CG-CG1 4.38Å; F242-I250 HydrophobicContact CG-CG2 4.47Å; F242-C252 HydrophobicContact CE1-CB 3.7Å; F242-C252 HydrophobicContact CZ-CB 3.94Å; F242-L279 HydrophobicContact CB-CD1 4.27Å; F242-L279 HydrophobicContact CD1-CD2 3.83Å; F242-L279 HydrophobicContact CE1-CD2 4.05Å; F242-L279 HydrophobicContact CG-CD2 4.4Å
243K97.1Very high95.8Very high84 Ų8435.4 Ų35.437%0.36519%0.189SC..EExtended strand (participates in β ladder)trans-154.5138.7173.6174.6178.9179.5-176.90110.5V173 T195 L197V173-K243 HydrophobicContact CB-CB 4.29Å; V173-K243 PolarHBondContact N-O 2.95Å; V173-K243 PolarHBondContact O-N 2.88Å; T195-K243 WeakPolarHBondContact O-CD 3.2Å; T195-K243 PolarHBondContact O-NZ 3.18Å; L197-K243 HydrophobicContact CD2-CB 3.81Å
244G95.4Very high96.1Very high25 Ų2532 Ų3226%0.25817%0.174SC..EExtended strand (participates in β ladder)trans-99.4162.3171.400000111.7A248G244-A248 CarbonylContact C-O 3.49Å; G244-A248 WeakPolarHBondContact CA-O 3.44Å
245S93.4Very high96.2Very high31 Ų3131.9 Ų31.922%0.21717%0.172CC..  trans-84.1-168173.672.80000111.9D171 T247 A248D171-S245 WeakPolarHBondContact O-CB 3.46Å; D171-S245 PolarHBondContact O-N 3.02Å; D171-S245 PolarHBondContact O-OG 3.5Å; S245-T247 VanDerWaalsContact C-N 3.3Å; S245-T247 PolarHBondContact OG-N 3.35Å; S245-T247 PolarHBondContact OG-OG1 2.99Å; S245-A248 PolarHBondContact N-O 3.43Å; S245-A248 VanDerWaalsContact N-O 3.14Å; S245-A248 VanDerWaalsContact O-O 3.12Å; S245-A248 PolarHBondContact OG-N 2.92Å
246S87.6Confident96.3Very high109 Ų10932.4 Ų32.476%0.76218%0.176SC*.SBendtrans-71.7-25.2167.449.60000112.8
247T87.2Confident96.3Very high60 Ų6032.1 Ų32.137%0.36818%0.176SC..SBendtrans-95.6-21.7-175.8500000113.2D171 S245 H284D171-T247 PolarHBondContact OD1-OG1 3.29Å; S245-T247 VanDerWaalsContact C-N 3.3Å; S245-T247 PolarHBondContact OG-N 3.35Å; S245-T247 PolarHBondContact OG-OG1 2.99Å; T247-H284 PolarHBondContact O-N 3.41Å
248A93.2Very high96.2Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-129.2124.717800000111.4L128 D171 V172 G244 S245 E282L128-A248 HydrophobicContact CD1-CB 4.13Å; L128-A248 HydrophobicContact CD2-CB 4.2Å; D171-A248 HydrophobicContact CB-CB 4.04Å; V172-A248 HydrophobicContact CG2-CB 4.22Å; G244-A248 CarbonylContact C-O 3.49Å; G244-A248 WeakPolarHBondContact CA-O 3.44Å; S245-A248 PolarHBondContact N-O 3.43Å; S245-A248 VanDerWaalsContact N-O 3.14Å; S245-A248 VanDerWaalsContact O-O 3.12Å; S245-A248 PolarHBondContact OG-N 2.92Å; A248-E282 WeakPolarHBondContact CA-O 3.17Å
249K94.8Very high95.9Very high91 Ų9138.6 Ų38.640%0.39621%0.207SC..EExtended strand (participates in β ladder)trans-92148.5168.7-62.1-60.5-179.5-166.40109.7Y251 L281 E282K249-Y251 HydrophobicContact CB-CE2 3.65Å; K249-L281 WeakPolarHBondContact O-CA 3.39Å; K249-E282 HydrophobicContact CB-CB 4.39Å; K249-E282 PolarHBondContact N-O 2.99Å; K249-E282 PolarHBondContact O-N 3.48Å
250I96.2Very high95.3Very high11 Ų1139 Ų396%0.05621%0.212CC..EExtended strand (participates in β ladder)trans-137.4138177.7-175.2167.1000109.4V172 F242 L279 R280 L281V172-I250 HydrophobicContact CG1-CD1 3.84Å; F242-I250 HydrophobicContact CB-CD1 4Å; F242-I250 HydrophobicContact CD2-CB 4.19Å; F242-I250 HydrophobicContact CD2-CD1 4.05Å; F242-I250 HydrophobicContact CD2-CG1 3.85Å; F242-I250 HydrophobicContact CD2-CG2 3.42Å; F242-I250 VanDerWaalsContact CD2-CG2 3.42Å; F242-I250 HydrophobicContact CE2-CG1 4.26Å; F242-I250 HydrophobicContact CE2-CG2 3.88Å; F242-I250 HydrophobicContact CG-CD1 4.18Å; F242-I250 HydrophobicContact CG-CG1 4.38Å; F242-I250 HydrophobicContact CG-CG2 4.47Å; I250-L279 HydrophobicContact CD1-CB 4.07Å; I250-L279 HydrophobicContact CD1-CD1 3.88Å; I250-L279 HydrophobicContact CD1-CG 4.48Å; I250-L279 HydrophobicContact CG1-CB 4.21Å; I250-R280 CarbonylContact C-O 3.58Å; I250-R280 VanDerWaalsContact CA-O 3.29Å; I250-R280 WeakPolarHBondContact CA-O 3.48Å; I250-L281 HydrophobicContact CB-CD2 3.9Å; I250-L281 HydrophobicContact CD1-CD2 3.52Å; I250-L281 HydrophobicContact CG1-CD2 3.73Å
251Y97.4Very high94.7Very high89 Ų8943.7 Ų43.735%0.34925%0.245SC..EExtended strand (participates in β ladder)trans-132.9150.3-178.6-56.3-84.9000109.2K249 L279 R280 E282K249-Y251 HydrophobicContact CB-CE2 3.65Å; Y251-L279 CarbonylContact O-C 3.57Å; Y251-L279 VanDerWaalsContact O-CA 3.25Å; Y251-L279 WeakPolarHBondContact O-CA 3.27Å; Y251-R280 PolarHBondContact N-O 3.46Å; Y251-R280 PolarHBondContact O-N 2.94Å; Y251-E282 HydrophobicContact CE2-CG 4.39Å; Y251-E282 WeakPolarHBondContact CE2-OE2 3.34Å
252C98.2Very high94.2Very high9 Ų944.1 Ų44.16%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-100.5109.5169.1-175.40000108.5E203 F242 F254 L279E203-C252 HydrophobicContact CB-CB 4.36Å; F242-C252 HydrophobicContact CE1-CB 3.7Å; F242-C252 HydrophobicContact CZ-CB 3.94Å; C252-F254 PolarHBondContact SG-O 2.88Å; C252-F254 VanDerWaalsContact SG-O 3.38Å; C252-L279 HydrophobicContact CB-CD2 3.87Å
253D97.8Very high93.5Very high62 Ų6249.9 Ų49.933%0.33229%0.285SS..EExtended strand (participates in β ladder)trans-86-28.5-177.5-73.5-15.4000111.7E278 R280D253-E278 PolarHBondContact N-O 3.37Å; D253-R280 IonicContact OD1-CZ 2.62Å; D253-R280 IonicContact OD1-NE 3.82Å; D253-R280 PolarHBondContact OD1-NE 3.04Å; D253-R280 IonicContact OD1-NH2 3.77Å; D253-R280 PolarHBondContact OD1-NH2 2.62Å; D253-R280 VanDerWaalsContact OD2-CB 3.27Å; D253-R280 WeakPolarHBondContact OD2-CB 3.34Å; D253-R280 WeakPolarHBondContact OD2-CD 3.08Å; D253-R280 IonicContact OD2-CZ 3.92Å; D253-R280 IonicContact OD2-NE 3.45Å; D253-R280 PolarHBondContact OD2-NE 2.79Å; D253-R280 IonicContact OD2-NH2 3.81Å
254F98.3Very high93Very high56 Ų5650 Ų5025%0.24631%0.31CS..EExtended strand (participates in β ladder)trans-153.6145.7178.9179.7-102.6000110.9T204 K206 D208 C252 E278T204-F254 WeakPolarHBondContact OG1-CA 3.47Å; K206-F254 HydrophobicContact CB-CD2 3.84Å; K206-F254 WeakPolarHBondContact O-CD2 3.47Å; D208-F254 HydrophobicContact CB-CE2 4.13Å; D208-F254 HydrophobicContact CB-CZ 3.86Å; C252-F254 PolarHBondContact SG-O 2.88Å; C252-F254 VanDerWaalsContact SG-O 3.38Å; F254-E278 HydrophobicContact CB-CB 4.14Å; F254-E278 HydrophobicContact CB-CG 4.14Å; F254-E278 HydrophobicContact CD1-CG 4.05Å; F254-E278 PolarHBondContact O-N 3.19Å
255M97.9Very high92.6Very high4 Ų452.4 Ų52.42%0.0231%0.314CS..EExtended strand (participates in β ladder)trans-138.1146.8167.8-173.7171.7177.900110.5S200 Y201 T204 K206 F207 D208 L275 T276S200-M255 WeakPolarHBondContact CB-SD 2.96Å; Y201-M255 WeakPolarHBondContact CA-SD 3.15Å; Y201-M255 PolarHBondContact N-SD 3.27Å; T204-M255 HydrophobicContact CG2-CB 3.89Å; K206-M255 PolarHBondContact O-N 3.03Å; K206-M255 VanDerWaalsContact O-N 3.1Å; F207-M255 VanDerWaalsContact CA-O 3.28Å; F207-M255 WeakPolarHBondContact CA-O 3.06Å; F207-M255 HydrophobicContact CD2-CB 4.29Å; F207-M255 HydrophobicContact CD2-CG 4.43Å; F207-M255 WeakPolarHBondContact CD2-O 3.48Å; D208-M255 PolarHBondContact N-O 3.33Å; D208-M255 VanDerWaalsContact N-O 3.11Å; M255-L275 HydrophobicContact CE-CB 4.28Å; M255-L275 HydrophobicContact CE-CD2 3.66Å; M255-L275 HydrophobicContact CE-CG 4.39Å; M255-T276 CarbonylContact C-O 3.52Å; M255-T276 VanDerWaalsContact CA-O 3.26Å; M255-T276 WeakPolarHBondContact CA-O 3.41Å; M255-T276 WeakPolarHBondContact CG-O 3.41Å
256S98.2Very high92.3Very high22 Ų2255.6 Ų55.615%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-138.5158.2172.858.80000112.7D208 T276D208-S256 CarbonylContact O-C 3.5Å; D208-S256 WeakPolarHBondContact O-CA 3.44Å; D208-S256 WeakPolarHBondContact O-CB 3.07Å; S256-T276 PolarHBondContact N-O 2.57Å; S256-T276 PolarHBondContact O-N 2.88Å
257T97.9Very high92.6Very high11 Ų1151.4 Ų51.47%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-120156.7162.972.50000110.4F207 D208 G209 C210 A274F207-T257 HydrophobicContact CE2-CG2 4.04Å; F207-T257 HydrophobicContact CZ-CG2 4.06Å; D208-T257 PolarHBondContact O-N 2.96Å; G209-T257 VanDerWaalsContact CA-OG1 3.24Å; G209-T257 WeakPolarHBondContact CA-OG1 3.31Å; C210-T257 PolarHBondContact N-OG1 3.43Å; T257-A274 CarbonylContact C-O 3.59Å; T257-A274 WeakPolarHBondContact CA-O 3.42Å
258T96Very high93Very high38 Ų3848.8 Ų48.823%0.23329%0.287CS..  trans-64.8165.9158.455.40000110.2C210 Y269 E273 A274C210-T258 PolarHBondContact SG-O 3.01Å; T258-Y269 HydrophobicContact CG2-CD2 4.21Å; T258-Y269 HydrophobicContact CG2-CE2 4.18Å; T258-E273 WeakPolarHBondContact CB-OE2 3.24Å; T258-E273 VanDerWaalsContact OG1-CA 3.3Å; T258-E273 WeakPolarHBondContact OG1-CA 3.35Å; T258-E273 WeakPolarHBondContact OG1-CB 3.38Å; T258-E273 PolarHBondContact OG1-OE2 3.21Å; T258-A274 HydrophobicContact CG2-CB 3.95Å; T258-A274 PolarHBondContact N-O 2.91Å; T258-A274 PolarHBondContact OG1-N 3.26Å
259K92.8Very high93.2Very high106 Ų10650.4 Ų50.446%0.46129%0.293SS..  trans-125.535.6-171.1-61.2178.6-178.9172.10112.1D208 G209 S261 E273D208-K259 WeakPolarHBondContact OD1-CE 3.38Å; D208-K259 IonicContact OD1-NZ 3.26Å; D208-K259 PolarHBondContact OD1-NZ 3.49Å; D208-K259 IonicContact OD2-NZ 3.97Å; G209-K259 VanDerWaalsContact CA-CE 3.42Å; K259-S261 PolarHBondContact O-N 3.01Å; K259-E273 PolarHBondContact N-OE2 2.94Å
260G86Confident93.3Very high9 Ų946.1 Ų46.19%0.09328%0.275CS..SBendtrans75.9-66.5-175.600000112.5P268 E273G260-P268 WeakPolarHBondContact O-CA 3.39Å; G260-P268 WeakPolarHBondContact O-CB 3.45Å; G260-E273 WeakPolarHBondContact CA-OE1 3.46Å; G260-E273 WeakPolarHBondContact CA-OE2 3.36Å; G260-E273 PolarHBondContact N-OE1 3.33Å; G260-E273 PolarHBondContact N-OE2 3.13Å
261S85.4Confident93.3Very high100 Ų10046.3 Ų46.370%0.69928%0.276SS*.  trans-72.1136.6-178.867.10000112.1K259K259-S261 PolarHBondContact O-N 3.01Å
262V88.4Confident93.3Very high10 Ų1042.6 Ų42.66%0.06126%0.262CS..  trans-105.3119.4173.6-179.80000108.2M32 G264 H265 Y269M32-V262 HydrophobicContact CE-CB 4.27Å; M32-V262 HydrophobicContact CE-CG1 4.26Å; M32-V262 HydrophobicContact CE-CG2 4.31Å; V262-G264 PolarHBondContact O-N 2.97Å; V262-H265 HydrophobicContact CB-CB 4.09Å; V262-H265 HydrophobicContact CG1-CB 4.1Å; V262-H265 PolarHBondContact O-N 2.79Å; V262-H265 VanDerWaalsContact O-O 3.1Å; V262-Y269 HydrophobicContact CB-CE2 4.33Å; V262-Y269 HydrophobicContact CG1-CE1 4.16Å; V262-Y269 HydrophobicContact CG1-CE2 3.99Å; V262-Y269 WeakPolarHBondContact CG1-OH 3.18Å; V262-Y269 HydrophobicContact CG2-CD1 4.37Å; V262-Y269 HydrophobicContact CG2-CD2 3.53Å; V262-Y269 HydrophobicContact CG2-CE1 4.22Å; V262-Y269 HydrophobicContact CG2-CE2 3.36Å; V262-Y269 HydrophobicContact CG2-CG 4.04Å
263P84.8Confident93.3Very high121 Ų12142.2 Ų42.279%0.78626%0.259SS*.THydrogen-bonded Turntrans-54.2126.6-179.2-2835.2000112.4H265P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 PolarHBondContact O-N 3.14Å
264G85.2Confident93.3Very high86 Ų8639.4 Ų39.489%0.88724%0.244SC*.THydrogen-bonded Turntrans801.7-179.900000115.3V262V262-G264 PolarHBondContact O-N 2.97Å
265H88.3Confident93.3Very high76 Ų7636.9 Ų36.935%0.35223%0.233SC..  trans-124.5144.6177.3-66.9-91.5000111.9M32 V262 P263 L267M32-H265 HydrophobicContact CE-CB 3.47Å; M32-H265 VanDerWaalsContact CE-CB 3.47Å; M32-H265 HydrophobicContact SD-CB 4.24Å; V262-H265 HydrophobicContact CB-CB 4.09Å; V262-H265 HydrophobicContact CG1-CB 4.1Å; V262-H265 PolarHBondContact O-N 2.79Å; V262-H265 VanDerWaalsContact O-O 3.1Å; P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 PolarHBondContact O-N 3.14Å; H265-L267 VanDerWaalsContact C-N 3.32Å; H265-L267 PolarHBondContact O-N 2.99Å
266P87.5Confident93.4Very high98 Ų9837.4 Ų37.464%0.63624%0.237SC*.SBendtrans-81.9-7.1-178.331.7-34.1000114.1
267L93.9Very high93.4Very high20 Ų2036.4 Ų36.411%0.10523%0.23CC..SBendtrans-125.7148.7-173.8-59.9174.8000110.4H25 Q28 M32 F222 H265H25-L267 HydrophobicContact CB-CD1 3.57Å; Q28-L267 HydrophobicContact CG-CD1 4.44Å; M32-L267 VanDerWaalsContact CE-O 3.32Å; M32-L267 WeakPolarHBondContact CE-O 3.46Å; F222-L267 HydrophobicContact CZ-CD2 4.17Å; H265-L267 VanDerWaalsContact C-N 3.32Å; H265-L267 PolarHBondContact O-N 2.99Å
268P95.9Very high93.4Very high5 Ų538.9 Ų38.93%0.03224%0.241CC..  trans-69.6161.6163.731.8-34.7000110.4F222 G260 S270F222-P268 HydrophobicContact CD2-CG 3.63Å; F222-P268 HydrophobicContact CE2-CG 3.44Å; F222-P268 VanDerWaalsContact CE2-CG 3.44Å; F222-P268 HydrophobicContact CZ-CG 4.25Å; G260-P268 WeakPolarHBondContact O-CA 3.39Å; G260-P268 WeakPolarHBondContact O-CB 3.45Å; P268-S270 VanDerWaalsContact C-N 3.3Å; P268-S270 WeakPolarHBondContact CB-O 3.48Å; P268-S270 PolarHBondContact O-N 3.41Å
269Y96.3Very high93.5Very high35 Ų3537 Ų3714%0.13723%0.229CC..SBendtrans-64.7-37.2175.7-65.4-66.7000112.1R29 M32 I33 M36 T258 V262R29-Y269 WeakPolarHBondContact CB-O 3.42Å; R29-Y269 WeakPolarHBondContact CD-O 3.35Å; R29-Y269 PolarHBondContact NH1-O 3.03Å; M32-Y269 HydrophobicContact CB-CD1 3.84Å; M32-Y269 HydrophobicContact CB-CE1 3.84Å; M32-Y269 HydrophobicContact CE-CD1 4.2Å; M32-Y269 HydrophobicContact CE-CE1 4.24Å; I33-Y269 HydrophobicContact CG1-CD1 4.05Å; I33-Y269 HydrophobicContact CG1-CG 4.43Å; M36-Y269 HydrophobicContact CB-CE1 3.82Å; M36-Y269 HydrophobicContact CG-CE1 4.32Å; M36-Y269 HydrophobicContact CG-CE2 4.32Å; T258-Y269 HydrophobicContact CG2-CD2 4.21Å; T258-Y269 HydrophobicContact CG2-CE2 4.18Å; V262-Y269 HydrophobicContact CB-CE2 4.33Å; V262-Y269 HydrophobicContact CG1-CE1 4.16Å; V262-Y269 HydrophobicContact CG1-CE2 3.99Å; V262-Y269 WeakPolarHBondContact CG1-OH 3.18Å; V262-Y269 HydrophobicContact CG2-CD1 4.37Å; V262-Y269 HydrophobicContact CG2-CD2 3.53Å; V262-Y269 HydrophobicContact CG2-CE1 4.22Å; V262-Y269 HydrophobicContact CG2-CE2 3.36Å; V262-Y269 HydrophobicContact CG2-CG 4.04Å
270S97.2Very high93.7Very high0 Ų034.9 Ų34.90%022%0.218CC..SBendtrans-152.3175.6-179.3-157.40000109.9N15 C16 W17 N220 P268 H272N15-S270 WeakPolarHBondContact O-CB 3.29Å; N15-S270 PolarHBondContact O-OG 2.92Å; C16-S270 PolarHBondContact O-OG 2.87Å; W17-S270 WeakPolarHBondContact CB-OG 3.19Å; W17-S270 PolarHBondContact N-OG 3.01Å; N220-S270 PolarHBondContact ND2-O 3.06Å; P268-S270 VanDerWaalsContact C-N 3.3Å; P268-S270 WeakPolarHBondContact CB-O 3.48Å; P268-S270 PolarHBondContact O-N 3.41Å; S270-H272 WeakPolarHBondContact CB-O 3.18Å
271D96.1Very high94.2Very high16 Ų1634.6 Ų34.69%0.08622%0.215CC..SBendtrans-72.5-17.2165.466.4-26.5000111.9W17 L216 N220 F222 I223W17-D271 WeakPolarHBondContact CB-OD1 3.42Å; W17-D271 VanDerWaalsContact CD1-CG 3.48Å; W17-D271 HydrophobicContact CD2-CB 4.14Å; W17-D271 HydrophobicContact CE3-CB 4.39Å; W17-D271 HydrophobicContact CG-CB 4.31Å; W17-D271 VanDerWaalsContact CG-CG 3.46Å; W17-D271 PolarHBondContact NE1-OD2 2.95Å; L216-D271 WeakPolarHBondContact CD2-O 3.35Å; N220-D271 PolarHBondContact ND2-O 3.3Å; F222-D271 HydrophobicContact CB-CB 3.57Å; F222-D271 HydrophobicContact CD2-CB 4.43Å; F222-D271 HydrophobicContact CG-CB 4.49Å; I223-D271 HydrophobicContact CD1-CB 3.68Å; I223-D271 HydrophobicContact CG1-CB 4.11Å; I223-D271 WeakPolarHBondContact CG1-O 3.19Å
272H97.9Very high94.6Very high10 Ų1031.7 Ų31.75%0.04619%0.19CC..SBendtrans-96.6151.1165.8-69.6-126.7000113.3N15 D178 T215 L216 D238 S270N15-H272 HydrophobicContact CB-CB 4.03Å; N15-H272 PolarHBondContact ND2-NE2 3.4Å; D178-H272 IonicContact OD2-CE1 3.48Å; D178-H272 PolarHBondContact OD2-CE1 3.26Å; D178-H272 IonicContact OD2-ND1 3.9Å; D178-H272 IonicContact OD2-NE2 2.66Å; T215-H272 CarbonylContact O-C 3.36Å; T215-H272 VanDerWaalsContact O-CA 3.28Å; T215-H272 WeakPolarHBondContact O-CA 3.45Å; L216-H272 HydrophobicContact CD2-CB 4.48Å; L216-H272 WeakPolarHBondContact CD2-CD2 3.48Å; D238-H272 IonicContact OD1-CE1 3.93Å; D238-H272 IonicContact OD1-ND1 3.54Å; D238-H272 PolarHBondContact OD1-ND1 3.04Å; D238-H272 IonicContact OD2-CE1 2.84Å; D238-H272 IonicContact OD2-CG 3.3Å; D238-H272 IonicContact OD2-ND1 2.7Å; D238-H272 PolarHBondContact OD2-ND1 3.24Å; S270-H272 WeakPolarHBondContact CB-O 3.18Å
273E97.9Very high94.4Very high2 Ų233.1 Ų33.11%0.00920%0.201CC..PPolyproline II helixtrans-82136.8168.6-56.7-52.6135.900111.1T215 I217 N220 T258 K259 G260 L275T215-E273 PolarHBondContact O-N 3.36Å; I217-E273 HydrophobicContact CD1-CG 4.21Å; I217-E273 WeakPolarHBondContact CD1-OE1 2.97Å; I217-E273 HydrophobicContact CG1-CG 4.35Å; I217-E273 HydrophobicContact CG2-CG 4.25Å; N220-E273 PolarHBondContact ND2-OE1 2.8Å; T258-E273 WeakPolarHBondContact CB-OE2 3.24Å; T258-E273 VanDerWaalsContact OG1-CA 3.3Å; T258-E273 WeakPolarHBondContact OG1-CA 3.35Å; T258-E273 WeakPolarHBondContact OG1-CB 3.38Å; T258-E273 PolarHBondContact OG1-OE2 3.21Å; K259-E273 PolarHBondContact N-OE2 2.94Å; G260-E273 WeakPolarHBondContact CA-OE1 3.46Å; G260-E273 WeakPolarHBondContact CA-OE2 3.36Å; G260-E273 PolarHBondContact N-OE1 3.33Å; G260-E273 PolarHBondContact N-OE2 3.13Å; E273-L275 WeakPolarHBondContact O-CD1 3.17Å
274A98.1Very high94Very high3 Ų331.6 Ų31.63%0.02518%0.183CC..PPolyproline II helixtrans-74.7149.117600000111.2F12 L14 T257 T258F12-A274 HydrophobicContact CE2-CB 3.5Å; F12-A274 VanDerWaalsContact CE2-CB 3.5Å; F12-A274 HydrophobicContact CZ-CB 3.54Å; L14-A274 HydrophobicContact CB-CB 4.17Å; L14-A274 HydrophobicContact CD1-CB 3.95Å; L14-A274 HydrophobicContact CD2-CB 4.36Å; L14-A274 HydrophobicContact CG-CB 4.38Å; T257-A274 CarbonylContact C-O 3.59Å; T257-A274 WeakPolarHBondContact CA-O 3.42Å; T258-A274 HydrophobicContact CG2-CB 3.95Å; T258-A274 PolarHBondContact N-O 2.91Å; T258-A274 PolarHBondContact OG1-N 3.26Å
275L98.7Very high92.7Very high2 Ų234.5 Ų34.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-114.8136.5-178.6-58.886.2000109F12 S13 T215 D238 I240 M255 E273F12-L275 CarbonylContact C-O 3.56Å; F12-L275 VanDerWaalsContact CA-O 3.29Å; F12-L275 WeakPolarHBondContact CA-O 3.42Å; S13-L275 PolarHBondContact N-O 2.97Å; S13-L275 PolarHBondContact O-N 3.23Å; T215-L275 HydrophobicContact CG2-CD1 4.03Å; T215-L275 HydrophobicContact CG2-CD2 4.09Å; T215-L275 HydrophobicContact CG2-CG 4.15Å; D238-L275 HydrophobicContact CB-CD1 3.42Å; D238-L275 VanDerWaalsContact CB-CD1 3.42Å; D238-L275 HydrophobicContact CB-CD2 4.06Å; D238-L275 HydrophobicContact CB-CG 4.41Å; D238-L275 WeakPolarHBondContact O-CD2 3.42Å; I240-L275 HydrophobicContact CD1-CB 3.83Å; I240-L275 HydrophobicContact CG1-CB 4.2Å; M255-L275 HydrophobicContact CE-CB 4.28Å; M255-L275 HydrophobicContact CE-CD2 3.66Å; M255-L275 HydrophobicContact CE-CG 4.39Å; E273-L275 WeakPolarHBondContact O-CD1 3.17Å
276T98.6Very high90.9Very high16 Ų1636.7 Ų36.710%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-128.8127.7170.1-59.70000109.3V11 H42 M255 S256V11-T276 CarbonylContact O-C 3.51Å; V11-T276 WeakPolarHBondContact O-CA 3.35Å; H42-T276 WeakPolarHBondContact NE2-CG2 3.45Å; H42-T276 PolarHBondContact NE2-OG1 2.85Å; M255-T276 CarbonylContact C-O 3.52Å; M255-T276 VanDerWaalsContact CA-O 3.26Å; M255-T276 WeakPolarHBondContact CA-O 3.41Å; M255-T276 WeakPolarHBondContact CG-O 3.41Å; S256-T276 PolarHBondContact N-O 2.57Å; S256-T276 PolarHBondContact O-N 2.88Å
277A98.7Very high88.7Confident0 Ų036.4 Ų36.40%020%0.203CC..EExtended strand (participates in β ladder)trans-119.9131.7173.300000110R10 V11 I240 L279R10-A277 WeakPolarHBondContact CA-O 3.41Å; V11-A277 PolarHBondContact N-O 3.43Å; V11-A277 PolarHBondContact O-N 2.95Å; I240-A277 HydrophobicContact CB-CB 4.29Å; I240-A277 HydrophobicContact CD1-CB 3.89Å; I240-A277 HydrophobicContact CG2-CB 3.96Å; A277-L279 HydrophobicContact CB-CD2 4.08Å; A277-L279 HydrophobicContact CB-CG 4.35Å
278E98.4Very high86.2Confident63 Ų6345 Ų4529%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-98.2108.2169.8-52.9-165163.500108.4R10 D253 F254R10-E278 HydrophobicContact CG-CG 4.11Å; R10-E278 IonicContact NE-OE1 2.74Å; D253-E278 PolarHBondContact N-O 3.37Å; F254-E278 HydrophobicContact CB-CB 4.14Å; F254-E278 HydrophobicContact CB-CG 4.14Å; F254-E278 HydrophobicContact CD1-CG 4.05Å; F254-E278 PolarHBondContact O-N 3.19Å
279L98.3Very high83.4Confident0 Ų049.9 Ų49.90%028%0.284CS..EExtended strand (participates in β ladder)trans-104.2127.7-176-55.1-178.4000109.8S8 V9 V11 I174 F242 I250 Y251 C252 A277S8-L279 CarbonylContact C-O 3.54Å; S8-L279 WeakPolarHBondContact CA-O 3.45Å; V9-L279 PolarHBondContact N-O 2.94Å; V9-L279 PolarHBondContact O-N 3.15Å; V11-L279 HydrophobicContact CG2-CD1 3.81Å; V11-L279 HydrophobicContact CG2-CG 4.38Å; I174-L279 HydrophobicContact CD1-CD1 4.15Å; I174-L279 HydrophobicContact CG1-CD1 4.13Å; F242-L279 HydrophobicContact CB-CD1 4.27Å; F242-L279 HydrophobicContact CD1-CD2 3.83Å; F242-L279 HydrophobicContact CE1-CD2 4.05Å; F242-L279 HydrophobicContact CG-CD2 4.4Å; I250-L279 HydrophobicContact CD1-CB 4.07Å; I250-L279 HydrophobicContact CD1-CD1 3.88Å; I250-L279 HydrophobicContact CD1-CG 4.48Å; I250-L279 HydrophobicContact CG1-CB 4.21Å; Y251-L279 CarbonylContact O-C 3.57Å; Y251-L279 VanDerWaalsContact O-CA 3.25Å; Y251-L279 WeakPolarHBondContact O-CA 3.27Å; C252-L279 HydrophobicContact CB-CD2 3.87Å; A277-L279 HydrophobicContact CB-CD2 4.08Å; A277-L279 HydrophobicContact CB-CG 4.35Å
280R97.1Very high80.5Confident61 Ų6151.7 Ų51.723%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-100.1120.8174.3175.1167.446.88013.2110.2C6 I250 Y251 D253 E282C6-R280 WeakPolarHBondContact SG-CD 3.39Å; C6-R280 WeakPolarHBondContact SG-CG 3.38Å; I250-R280 CarbonylContact C-O 3.58Å; I250-R280 VanDerWaalsContact CA-O 3.29Å; I250-R280 WeakPolarHBondContact CA-O 3.48Å; Y251-R280 PolarHBondContact N-O 3.46Å; Y251-R280 PolarHBondContact O-N 2.94Å; D253-R280 IonicContact OD1-CZ 2.62Å; D253-R280 IonicContact OD1-NE 3.82Å; D253-R280 PolarHBondContact OD1-NE 3.04Å; D253-R280 IonicContact OD1-NH2 3.77Å; D253-R280 PolarHBondContact OD1-NH2 2.62Å; D253-R280 VanDerWaalsContact OD2-CB 3.27Å; D253-R280 WeakPolarHBondContact OD2-CB 3.34Å; D253-R280 WeakPolarHBondContact OD2-CD 3.08Å; D253-R280 IonicContact OD2-CZ 3.92Å; D253-R280 IonicContact OD2-NE 3.45Å; D253-R280 PolarHBondContact OD2-NE 2.79Å; D253-R280 IonicContact OD2-NH2 3.81Å; R280-E282 HydrophobicContact CG-CG 4.36Å; R280-E282 IonicContact CZ-OE1 2.91Å; R280-E282 VanDerWaalsContact NH1-CD 3.33Å; R280-E282 IonicContact NH1-OE1 3.31Å; R280-E282 PolarHBondContact NH1-OE1 3.17Å; R280-E282 IonicContact NH1-OE2 2.66Å
281L95.2Very high77.8Confident2 Ų257.2 Ų57.21%0.0135%0.351CS..EExtended strand (participates in β ladder)trans-97.8131.5176.8-60.9173.3000109.7C6 V7 V9 I125 L128 V172 K249 I250C6-L281 CarbonylContact C-O 3.57Å; C6-L281 VanDerWaalsContact CA-O 3.31Å; C6-L281 WeakPolarHBondContact CA-O 3.07Å; V7-L281 HydrophobicContact CB-CB 4.43Å; V7-L281 PolarHBondContact N-O 3.07Å; V7-L281 PolarHBondContact O-N 3.18Å; V9-L281 HydrophobicContact CG2-CD1 3.5Å; V9-L281 HydrophobicContact CG2-CG 4.18Å; I125-L281 HydrophobicContact CB-CD1 4.47Å; I125-L281 HydrophobicContact CG2-CD1 3.89Å; L128-L281 HydrophobicContact CD1-CB 4.23Å; L128-L281 HydrophobicContact CD1-CD1 4.35Å; V172-L281 HydrophobicContact CB-CD2 4.41Å; V172-L281 HydrophobicContact CG1-CD2 3.93Å; V172-L281 HydrophobicContact CG2-CD2 3.56Å; K249-L281 WeakPolarHBondContact O-CA 3.39Å; I250-L281 HydrophobicContact CB-CD2 3.9Å; I250-L281 HydrophobicContact CD1-CD2 3.52Å; I250-L281 HydrophobicContact CG1-CD2 3.73Å
282E93.4Very high74.9Confident40 Ų4059.7 Ų59.719%0.18738%0.38CS..EExtended strand (participates in β ladder)trans-125.5117.8174.8-63.2-175.3161.200109.3A248 K249 Y251 R280A248-E282 WeakPolarHBondContact CA-O 3.17Å; K249-E282 HydrophobicContact CB-CB 4.39Å; K249-E282 PolarHBondContact N-O 2.99Å; K249-E282 PolarHBondContact O-N 3.48Å; Y251-E282 HydrophobicContact CE2-CG 4.39Å; Y251-E282 WeakPolarHBondContact CE2-OE2 3.34Å; R280-E282 HydrophobicContact CG-CG 4.36Å; R280-E282 IonicContact CZ-OE1 2.91Å; R280-E282 VanDerWaalsContact NH1-CD 3.33Å; R280-E282 IonicContact NH1-OE1 3.31Å; R280-E282 PolarHBondContact NH1-OE1 3.17Å; R280-E282 IonicContact NH1-OE2 2.66Å
283S85.9Confident72.2Confident40 Ų4068.5 Ų68.528%0.2842%0.419SS..EExtended strand (participates in β ladder)trans-84132.317362.20000110.1D5D5-S283 PolarHBondContact O-N 2.92Å; D5-S283 PolarHBondContact O-OG 2.9Å
284H75Confident69.5Low89 Ų8973.5 Ų73.541%0.41245%0.45SS..  trans-117.1129.4174.3-73.8-63.7000111.1T247T247-H284 PolarHBondContact O-N 3.41Å
285I57.8Low67.1Low147 Ų14782.3 Ų82.375%0.75449%0.49SS*.  trans-76124.9157-56.9173.6000106A287I285-A287 PolarHBondContact O-N 3.24Å
286P50.3Low64.9Low122 Ų12286.5 Ų86.579%0.79251%0.512SS*.  trans-64105.9-170.224.9-34.3000111.2
287A41.6Very low63.6Low92 Ų9289.2 Ų89.276%0.7653%0.529SS*.  trans-98.1140.4155.600000108I285 A289I285-A287 PolarHBondContact O-N 3.24Å; A287-A289 PolarHBondContact O-N 2.88Å
288Q40.8Very low62.7Low201 Ų20194.7 Ų94.794%0.93956%0.564SS**  trans-32.5125.6-170.9-71.3-179.5-6.700114.3G290Q288-G290 PolarHBondContact O-N 3.34Å
289A38.7Very low62Low107 Ų10794.2 Ų94.288%0.88457%0.571SS**  trans-56.4105.6-175.700000112A287 S291A287-A289 PolarHBondContact O-N 2.88Å; A289-S291 PolarHBondContact O-N 3.16Å
290G35.6Very low61.5Low72 Ų7299.3 Ų99.374%0.74260%0.595SS**  trans-74.3116.3159.200000109.2Q288 G292Q288-G290 PolarHBondContact O-N 3.34Å; G290-G292 PolarHBondContact O-N 3.39Å
291S39.5Very low61.1Low116 Ų116101.2 Ų101.281%0.81161%0.605SS**  trans-58.896.5174.3165.60000111.1A289A289-S291 PolarHBondContact O-N 3.16Å
292G35.8Very low60.9Low68 Ų68102.7 Ų102.770%0.70161%0.613SS**  trans-71.9123.2169.100000110.9G290 T294G290-G292 PolarHBondContact O-N 3.39Å; G292-T294 PolarHBondContact O-N 2.88Å
293K41Very low60.8Low196 Ų196102.3 Ų102.385%0.85262%0.616SS**  trans-67.2117180-71175.6175.11790111.2
294T41.1Very low61.2Low107 Ų107105.3 Ų105.366%0.65663%0.626SS**  trans-107.3140.8152.343.50000108.7G292 D296G292-T294 PolarHBondContact O-N 2.88Å; T294-D296 VanDerWaalsContact C-N 3.29Å; T294-D296 PolarHBondContact O-N 3.19Å
295H46.5Very low62.1Low187 Ų187101.8 Ų101.887%0.86661%0.61SS**SBendtrans-76.7-4-167.6-98.4-87.3000115.8
296D53.1Low64Low91 Ų9195.2 Ų95.249%0.48758%0.577SS.*SBendtrans-107.8134.5173.5-46.7-44.2000110.2T294 K301T294-D296 VanDerWaalsContact C-N 3.29Å; T294-D296 PolarHBondContact O-N 3.19Å; D296-K301 HydrophobicContact CB-CG 4.42Å
297T70.9Confident66.1Low72 Ų7294.6 Ų94.644%0.44257%0.567SS.*  trans-67.2146.5176.363.10000110.1A299 E300 K301T297-A299 PolarHBondContact O-N 3.1Å; T297-E300 PolarHBondContact N-OE2 3.29Å; T297-E300 PolarHBondContact O-N 3.3Å; T297-E300 WeakPolarHBondContact OG1-CG 3.08Å; T297-E300 PolarHBondContact OG1-N 3.04Å; T297-E300 PolarHBondContact OG1-OE2 3.37Å; T297-K301 PolarHBondContact O-N 2.95Å
298P80.9Confident68.8Low116 Ų11690.5 Ų90.575%0.75353%0.532SS*.Hα-helixtrans-53.5-25.1174.6-28.235.3000114.2L302P298-L302 WeakPolarHBondContact O-CB 3.43Å; P298-L302 PolarHBondContact O-N 2.8Å
299A84.5Confident71.4Confident53 Ų5380.9 Ų80.944%0.43849%0.487SS..Hα-helixtrans-71.8-39.5176.900000112.9T297 L302 A303T297-A299 PolarHBondContact O-N 3.1Å; A299-L302 PolarHBondContact O-N 3.46Å; A299-A303 PolarHBondContact O-N 3.48Å
300E86.6Confident74.2Confident106 Ų10678.3 Ų78.350%0.49546%0.461SS..Hα-helixtrans-65.1-46.2178.9-75157.9156.600111.4T297 L302 A303 E304T297-E300 PolarHBondContact N-OE2 3.29Å; T297-E300 PolarHBondContact O-N 3.3Å; T297-E300 WeakPolarHBondContact OG1-CG 3.08Å; T297-E300 PolarHBondContact OG1-N 3.04Å; T297-E300 PolarHBondContact OG1-OE2 3.37Å; E300-L302 PolarHBondContact O-N 2.72Å; E300-A303 WeakPolarHBondContact O-CB 3.18Å; E300-A303 PolarHBondContact O-N 3.01Å; E300-A303 VanDerWaalsContact O-N 3.13Å; E300-E304 PolarHBondContact O-N 3.39Å
301K88.3Confident77.2Confident102 Ų10278.6 Ų78.644%0.44344%0.443SS..Hα-helixtrans-61.3-35.3175.2-65.7-172178.9-173.60112.5D296 T297 L305D296-K301 HydrophobicContact CB-CG 4.42Å; T297-K301 PolarHBondContact O-N 2.95Å; K301-L305 WeakPolarHBondContact O-CB 3.09Å; K301-L305 PolarHBondContact O-N 3.05Å; K301-L305 VanDerWaalsContact O-N 3.1Å
302L91.4Very high80Confident32 Ų3273 Ų7317%0.16840%0.404CS..Hα-helixtrans-69.9-39.3176.5-177.260.8000111.5P298 A299 E300 L305 V306 L408 K411 L412P298-L302 WeakPolarHBondContact O-CB 3.43Å; P298-L302 PolarHBondContact O-N 2.8Å; A299-L302 PolarHBondContact O-N 3.46Å; E300-L302 PolarHBondContact O-N 2.72Å; L302-L305 PolarHBondContact O-N 3.39Å; L302-V306 WeakPolarHBondContact O-CG2 3.19Å; L302-V306 PolarHBondContact O-N 3.02Å; L302-L408 HydrophobicContact CD1-CB 4.19Å; L302-L408 HydrophobicContact CD1-CD2 3.53Å; L302-L408 HydrophobicContact CD1-CG 4.41Å; L302-K411 HydrophobicContact CD2-CB 3.88Å; L302-L412 HydrophobicContact CB-CD1 4.24Å; L302-L412 HydrophobicContact CD2-CB 3.86Å; L302-L412 HydrophobicContact CD2-CD1 3.95Å; L302-L412 HydrophobicContact CG-CB 4.31Å; L302-L412 HydrophobicContact CG-CD1 4.09Å
303A92.5Very high82.9Confident32 Ų3271.6 Ų71.626%0.26438%0.377SS..Hα-helixtrans-64-47.7175.300000111.4A299 E300 L305 V306 D307 L412A299-A303 PolarHBondContact O-N 3.48Å; E300-A303 WeakPolarHBondContact O-CB 3.18Å; E300-A303 PolarHBondContact O-N 3.01Å; E300-A303 VanDerWaalsContact O-N 3.13Å; A303-L305 VanDerWaalsContact C-N 3.25Å; A303-L305 PolarHBondContact O-N 2.79Å; A303-V306 WeakPolarHBondContact O-CB 3.13Å; A303-V306 PolarHBondContact O-N 3.48Å; A303-D307 PolarHBondContact O-N 2.75Å; A303-L412 HydrophobicContact CB-CD2 4.48Å
304E92.8Very high85.7Confident104 Ų10465.9 Ų65.949%0.48636%0.359SS..Hα-helixtrans-58.3-38.4175.9-173.5-173.3174.300112.2E300 D307 T308E300-E304 PolarHBondContact O-N 3.39Å; E304-D307 PolarHBondContact O-N 3.27Å; E304-T308 WeakPolarHBondContact O-CB 3.36Å; E304-T308 PolarHBondContact O-N 2.95Å; E304-T308 PolarHBondContact O-OG1 3.17Å
305L95.2Very high88.4Confident14 Ų1463.5 Ų63.57%0.07334%0.34CS..Hα-helixtrans-65.6-40.5175.2-17759.1000112.2Y194 K301 L302 A303 D307 L309 L408Y194-L305 HydrophobicContact CD2-CD1 3.64Å; Y194-L305 HydrophobicContact CD2-CD2 4.15Å; Y194-L305 HydrophobicContact CD2-CG 4.2Å; Y194-L305 HydrophobicContact CE2-CD2 4.49Å; Y194-L305 HydrophobicContact CG-CD1 4.15Å; K301-L305 WeakPolarHBondContact O-CB 3.09Å; K301-L305 PolarHBondContact O-N 3.05Å; K301-L305 VanDerWaalsContact O-N 3.1Å; L302-L305 PolarHBondContact O-N 3.39Å; A303-L305 VanDerWaalsContact C-N 3.25Å; A303-L305 PolarHBondContact O-N 2.79Å; L305-D307 VanDerWaalsContact C-N 3.34Å; L305-L309 WeakPolarHBondContact O-CB 3.32Å; L305-L309 PolarHBondContact O-N 2.66Å; L305-L408 HydrophobicContact CD2-CD1 3.94Å; L305-L408 HydrophobicContact CD2-CD2 3.9Å; L305-L408 HydrophobicContact CG-CD1 3.88Å
306V96.1Very high90.8Very high10 Ų1054.6 Ų54.66%0.06130%0.299CS..Hα-helixtrans-62.9-43175.3169.80000110.5L302 A303 L309 T310 L408 Q409L302-V306 WeakPolarHBondContact O-CG2 3.19Å; L302-V306 PolarHBondContact O-N 3.02Å; A303-V306 WeakPolarHBondContact O-CB 3.13Å; A303-V306 PolarHBondContact O-N 3.48Å; V306-L309 PolarHBondContact O-N 3.13Å; V306-T310 WeakPolarHBondContact O-CB 3.41Å; V306-T310 PolarHBondContact O-N 3.47Å; V306-T310 PolarHBondContact O-OG1 3.23Å; V306-L408 HydrophobicContact CG2-CB 3.58Å; V306-L408 HydrophobicContact CG2-CD1 4.38Å; V306-Q409 HydrophobicContact CG1-CG 4.15Å
307D95.7Very high93Very high109 Ų10954.3 Ų54.358%0.58329%0.293SS*.Hα-helixtrans-65.1-50.5179.1-69.9-18000111A303 E304 L305 L309 T310 E311A303-D307 PolarHBondContact O-N 2.75Å; E304-D307 PolarHBondContact O-N 3.27Å; L305-D307 VanDerWaalsContact C-N 3.34Å; D307-L309 VanDerWaalsContact C-N 3.31Å; D307-L309 PolarHBondContact O-N 3.36Å; D307-T310 WeakPolarHBondContact O-CB 3.37Å; D307-T310 PolarHBondContact O-N 2.95Å; D307-E311 PolarHBondContact O-N 3.18Å
308T97Very high94.2Very high5 Ų555 Ų553%0.03130%0.297CS..Hα-helixtrans-58.4-42.1177.1-60.60000111.7L186 R189 L190 E304 T310 E311 A312L186-T308 HydrophobicContact CD1-CG2 4.01Å; R189-T308 HydrophobicContact CB-CG2 3.99Å; L190-T308 HydrophobicContact CB-CG2 4.12Å; L190-T308 HydrophobicContact CD1-CG2 4.45Å; E304-T308 WeakPolarHBondContact O-CB 3.36Å; E304-T308 PolarHBondContact O-N 2.95Å; E304-T308 PolarHBondContact O-OG1 3.17Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T308-E311 PolarHBondContact O-N 3.05Å; T308-A312 WeakPolarHBondContact O-CB 3.27Å; T308-A312 PolarHBondContact O-N 3.37Å
309L97.1Very high95Very high0 Ų049.8 Ų49.80%027%0.265CS..Hα-helixtrans-69.4-33.8177.5-17660.3000112.2W157 L190 Y194 L305 V306 D307 A312 R313 M401 A404 V405 L408W157-L309 HydrophobicContact CE3-CD1 3.85Å; W157-L309 HydrophobicContact CH2-CD1 4.24Å; W157-L309 HydrophobicContact CZ3-CD1 3.42Å; W157-L309 VanDerWaalsContact CZ3-CD1 3.42Å; W157-L309 HydrophobicContact CZ3-CD2 4.45Å; L190-L309 HydrophobicContact CD1-CD1 3.95Å; Y194-L309 HydrophobicContact CE2-CD2 4.15Å; L305-L309 WeakPolarHBondContact O-CB 3.32Å; L305-L309 PolarHBondContact O-N 2.66Å; V306-L309 PolarHBondContact O-N 3.13Å; D307-L309 VanDerWaalsContact C-N 3.31Å; D307-L309 PolarHBondContact O-N 3.36Å; L309-A312 PolarHBondContact O-N 3.28Å; L309-R313 VanDerWaalsContact O-CG 3.3Å; L309-R313 WeakPolarHBondContact O-CG 3.45Å; L309-R313 PolarHBondContact O-N 2.96Å; L309-M401 HydrophobicContact CD1-CB 3.98Å; L309-M401 HydrophobicContact CD1-CG 3.86Å; L309-M401 HydrophobicContact CD1-SD 4.45Å; L309-A404 HydrophobicContact CD2-CB 3.75Å; L309-V405 HydrophobicContact CB-CG2 4.18Å; L309-V405 HydrophobicContact CD2-CB 4.32Å; L309-V405 HydrophobicContact CD2-CG2 3.42Å; L309-V405 VanDerWaalsContact CD2-CG2 3.42Å; L309-V405 HydrophobicContact CG-CG2 3.54Å; L309-L408 HydrophobicContact CD2-CD1 3.83Å
310T97.2Very high95.6Very high53 Ų5347.9 Ų47.933%0.32525%0.247SC..Hα-helixtrans-69.1-39176.4-59.90000111.4V306 D307 T308 R313 T314V306-T310 WeakPolarHBondContact O-CB 3.41Å; V306-T310 PolarHBondContact O-N 3.47Å; V306-T310 PolarHBondContact O-OG1 3.23Å; D307-T310 WeakPolarHBondContact O-CB 3.37Å; D307-T310 PolarHBondContact O-N 2.95Å; T308-T310 VanDerWaalsContact C-N 3.34Å; T310-R313 PolarHBondContact O-N 3.48Å; T310-T314 PolarHBondContact O-N 2.78Å; T310-T314 VanDerWaalsContact O-N 3.09Å; T310-T314 PolarHBondContact O-OG1 3.26Å
311E97.9Very high96Very high77 Ų7748.6 Ų48.636%0.3625%0.25SS..Hα-helixtrans-60.2-50.4170.2-168.2-170.5163.900110.6L186 R189 D307 T308 R313 T314 E315L186-E311 HydrophobicContact CD1-CB 3.97Å; L186-E311 HydrophobicContact CD1-CG 3.93Å; L186-E311 HydrophobicContact CD2-CB 4.47Å; L186-E311 HydrophobicContact CD2-CG 3.92Å; R189-E311 IonicContact CZ-OE1 3.53Å; R189-E311 IonicContact CZ-OE2 3.92Å; R189-E311 VanDerWaalsContact CZ-OE2 3.31Å; R189-E311 IonicContact NH1-OE2 3.58Å; R189-E311 PolarHBondContact NH1-OE2 3.01Å; R189-E311 IonicContact NH2-OE1 2.79Å; R189-E311 PolarHBondContact NH2-OE1 2.85Å; R189-E311 IonicContact NH2-OE2 3.23Å; R189-E311 PolarHBondContact NH2-OE2 2.98Å; D307-E311 PolarHBondContact O-N 3.18Å; T308-E311 PolarHBondContact O-N 3.05Å; E311-R313 VanDerWaalsContact C-N 3.3Å; E311-R313 PolarHBondContact O-N 3.24Å; E311-T314 WeakPolarHBondContact O-CA 3.27Å; E311-T314 WeakPolarHBondContact O-CB 3.05Å; E311-T314 PolarHBondContact O-N 3.13Å; E311-E315 PolarHBondContact O-N 3.32Å
312A98.1Very high96.4Very high0 Ų046.9 Ų46.90%025%0.25CS..Hα-helixtrans-55.5-43.2176.700000112.6V153 L186 L190 T308 L309 T314 E315 V316 M401V153-A312 HydrophobicContact CG1-CB 3.81Å; L186-A312 HydrophobicContact CD1-CB 4.21Å; L186-A312 HydrophobicContact CD2-CB 4.35Å; L186-A312 HydrophobicContact CG-CB 4.33Å; L190-A312 HydrophobicContact CD1-CB 4.45Å; L190-A312 HydrophobicContact CD2-CB 3.95Å; T308-A312 WeakPolarHBondContact O-CB 3.27Å; T308-A312 PolarHBondContact O-N 3.37Å; L309-A312 PolarHBondContact O-N 3.28Å; A312-T314 VanDerWaalsContact C-N 3.29Å; A312-T314 PolarHBondContact O-N 3.05Å; A312-E315 PolarHBondContact O-N 3.06Å; A312-V316 WeakPolarHBondContact O-CG2 3.24Å; A312-V316 PolarHBondContact O-N 3.45Å; A312-M401 HydrophobicContact CB-CE 4.39Å; A312-M401 HydrophobicContact CB-SD 4.38Å
313R98.1Very high96.6Very high38 Ų3845.4 Ų45.414%0.14324%0.243CC..Hα-helixtrans-62-37.5174.8-75.9179.670.4-130.1-0.6112.9L309 T310 E311 V316 K317 E398 M401L309-R313 VanDerWaalsContact O-CG 3.3Å; L309-R313 WeakPolarHBondContact O-CG 3.45Å; L309-R313 PolarHBondContact O-N 2.96Å; T310-R313 PolarHBondContact O-N 3.48Å; E311-R313 VanDerWaalsContact C-N 3.3Å; E311-R313 PolarHBondContact O-N 3.24Å; R313-V316 PolarHBondContact O-N 2.92Å; R313-K317 WeakPolarHBondContact O-CB 3.27Å; R313-K317 VanDerWaalsContact O-CG 3.31Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å; R313-K317 PolarHBondContact O-N 2.88Å; R313-E398 IonicContact CZ-OE1 3.93Å; R313-E398 IonicContact NE-OE1 3.13Å; R313-E398 PolarHBondContact NE-OE1 3.46Å; R313-E398 IonicContact NH2-OE1 3.78Å; R313-E398 PolarHBondContact NH2-OE1 2.99Å; R313-M401 HydrophobicContact CG-CB 3.34Å; R313-M401 HydrophobicContact CG-CG 4.15Å; R313-M401 HydrophobicContact CG-SD 3.77Å
314T98.1Very high96.8Very high76 Ų7647.6 Ų47.647%0.46625%0.248SC..Hα-helixtrans-65.1-45.3178.8-57.30000110T310 E311 A312 V316 K317 V318T310-T314 PolarHBondContact O-N 2.78Å; T310-T314 VanDerWaalsContact O-N 3.09Å; T310-T314 PolarHBondContact O-OG1 3.26Å; E311-T314 WeakPolarHBondContact O-CA 3.27Å; E311-T314 WeakPolarHBondContact O-CB 3.05Å; E311-T314 PolarHBondContact O-N 3.13Å; A312-T314 VanDerWaalsContact C-N 3.29Å; A312-T314 PolarHBondContact O-N 3.05Å; T314-V316 PolarHBondContact O-N 3.11Å; T314-K317 WeakPolarHBondContact O-CB 3.19Å; T314-K317 PolarHBondContact O-N 3.06Å; T314-V318 WeakPolarHBondContact O-CG2 3.28Å; T314-V318 PolarHBondContact O-N 3.43Å
315E97.9Very high97Very high56 Ų5651.5 Ų51.526%0.26226%0.258SS..Hα-helixtrans-63.8-41.4175.8-66.7-51.9144.100113L149 V153 L186 E311 A312 K317 V318 G319L149-E315 HydrophobicContact CD2-CG 4.34Å; V153-E315 HydrophobicContact CG2-CB 4.47Å; L186-E315 HydrophobicContact CD2-CB 4.16Å; L186-E315 HydrophobicContact CD2-CG 3.51Å; E311-E315 PolarHBondContact O-N 3.32Å; A312-E315 PolarHBondContact O-N 3.06Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 3.28Å; E315-V318 WeakPolarHBondContact O-CB 3.38Å; E315-V318 PolarHBondContact O-N 3Å; E315-G319 PolarHBondContact O-N 3.37Å
316V98.1Very high97Very high0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-61.6-39.9174.5172.40000111V153 V154 A312 R313 T314 G319 L320 L394 E398 M401V153-V316 HydrophobicContact CG1-CG2 3.94Å; V154-V316 HydrophobicContact CG2-CG1 4.48Å; V154-V316 HydrophobicContact CG2-CG2 3.85Å; A312-V316 WeakPolarHBondContact O-CG2 3.24Å; A312-V316 PolarHBondContact O-N 3.45Å; R313-V316 PolarHBondContact O-N 2.92Å; T314-V316 PolarHBondContact O-N 3.11Å; V316-G319 PolarHBondContact O-N 3.2Å; V316-L320 WeakPolarHBondContact O-CB 3.43Å; V316-L320 PolarHBondContact O-N 2.88Å; V316-L394 HydrophobicContact CG1-CD2 4.14Å; V316-L394 WeakPolarHBondContact CG1-O 3.25Å; V316-E398 HydrophobicContact CG1-CB 4.06Å; V316-M401 HydrophobicContact CG2-CE 3.85Å; V316-M401 HydrophobicContact CG2-SD 3.98Å
317K98Very high97Very high85 Ų8557.2 Ų57.237%0.3728%0.281SS..Hα-helixtrans-64-40.2174.2-76.5176178.4-1760112.2R313 T314 E315 G319 L320 H321 E398R313-K317 WeakPolarHBondContact O-CB 3.27Å; R313-K317 VanDerWaalsContact O-CG 3.31Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å; R313-K317 PolarHBondContact O-N 2.88Å; T314-K317 WeakPolarHBondContact O-CB 3.19Å; T314-K317 PolarHBondContact O-N 3.06Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 3.28Å; K317-G319 VanDerWaalsContact C-N 3.31Å; K317-G319 PolarHBondContact O-N 3.48Å; K317-L320 WeakPolarHBondContact O-CB 3.42Å; K317-L320 PolarHBondContact O-N 3.49Å; K317-L320 VanDerWaalsContact O-N 3.16Å; K317-H321 PolarHBondContact O-N 3.17Å; K317-H321 PolarHBondContact O-ND1 3.27Å; K317-E398 WeakPolarHBondContact CE-OE1 3.32Å; K317-E398 HydrophobicContact CG-CG 4.02Å; K317-E398 IonicContact NZ-OE1 3.71Å
318V97.1Very high97Very high86 Ų8659.4 Ų59.452%0.52128%0.283SS..Hα-helixtrans-58.2-47174.2172.40000110.2T314 E315 L320 H321 C322T314-V318 WeakPolarHBondContact O-CG2 3.28Å; T314-V318 PolarHBondContact O-N 3.43Å; E315-V318 WeakPolarHBondContact O-CB 3.38Å; E315-V318 PolarHBondContact O-N 3Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 3.44Å; V318-H321 PolarHBondContact O-N 2.87Å; V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.09Å
319G96.8Very high97Very high7 Ų761.4 Ų61.47%0.07230%0.295CS..Hα-helixtrans-57.4-42.4173.600000112.8E315 V316 K317 C322 A323E315-G319 PolarHBondContact O-N 3.37Å; V316-G319 PolarHBondContact O-N 3.2Å; K317-G319 VanDerWaalsContact C-N 3.31Å; K317-G319 PolarHBondContact O-N 3.48Å; G319-C322 WeakPolarHBondContact O-CB 3.45Å; G319-C322 PolarHBondContact O-N 2.66Å; G319-A323 PolarHBondContact O-N 2.8Å
320L96.9Very high96.9Very high13 Ų1361.7 Ų61.77%0.06830%0.297CS..Hα-helixtrans-60.6-49.5179.6-160.4151.2000111.8V316 K317 V318 C322 A323 E324 L391 L394 Q395V316-L320 WeakPolarHBondContact O-CB 3.43Å; V316-L320 PolarHBondContact O-N 2.88Å; K317-L320 WeakPolarHBondContact O-CB 3.42Å; K317-L320 PolarHBondContact O-N 3.49Å; K317-L320 VanDerWaalsContact O-N 3.16Å; V318-L320 VanDerWaalsContact C-N 3.31Å; V318-L320 PolarHBondContact O-N 3.44Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 2.69Å; L320-A323 PolarHBondContact O-N 2.97Å; L320-E324 HydrophobicContact CD2-CG 4.02Å; L320-E324 WeakPolarHBondContact O-CG 3.34Å; L320-E324 PolarHBondContact O-N 3.22Å; L320-L391 HydrophobicContact CD2-CD1 3.8Å; L320-L391 HydrophobicContact CG-CD1 3.8Å; L320-L394 HydrophobicContact CB-CB 4.47Å; L320-L394 HydrophobicContact CD1-CB 4.44Å; L320-L394 HydrophobicContact CG-CB 4.49Å; L320-Q395 HydrophobicContact CD1-CB 4.14Å
321H96.8Very high96.9Very high121 Ų12160.8 Ų60.856%0.5630%0.295SS*.Hα-helixtrans-62.1-35.8176.4-67.590000112K317 V318 R325K317-H321 PolarHBondContact O-N 3.17Å; K317-H321 PolarHBondContact O-ND1 3.27Å; V318-H321 PolarHBondContact O-N 2.87Å; H321-R325 WeakPolarHBondContact O-CB 3.36Å; H321-R325 PolarHBondContact O-N 3.16Å; H321-R325 VanDerWaalsContact O-N 3.07Å
322C95.3Very high96.8Very high66 Ų6663.6 Ų63.645%0.44630%0.303SS..Hα-helixtrans-63.3-51.2174.5-169.60000111.2V318 G319 L320 E324 R325 M326V318-C322 PolarHBondContact O-N 3.14Å; V318-C322 VanDerWaalsContact O-N 3.09Å; G319-C322 WeakPolarHBondContact O-CB 3.45Å; G319-C322 PolarHBondContact O-N 2.66Å; L320-C322 VanDerWaalsContact C-N 3.27Å; L320-C322 PolarHBondContact O-N 2.69Å; C322-E324 VanDerWaalsContact C-N 3.34Å; C322-E324 PolarHBondContact O-N 2.8Å; C322-R325 WeakPolarHBondContact O-CB 3.47Å; C322-R325 PolarHBondContact O-N 2.96Å; C322-M326 WeakPolarHBondContact O-CG 3.18Å; C322-M326 PolarHBondContact O-N 3.44Å
323A95.5Very high96.6Very high1 Ų166.1 Ų66.11%0.00832%0.318CS..Hα-helixtrans-60.9-40.4178.800000112.2G319 L320 M326 R327 E390 L391 L394G319-A323 PolarHBondContact O-N 2.8Å; L320-A323 PolarHBondContact O-N 2.97Å; A323-M326 PolarHBondContact O-N 2.49Å; A323-R327 WeakPolarHBondContact O-CB 3.46Å; A323-R327 PolarHBondContact O-N 3.29Å; A323-E390 HydrophobicContact CB-CG 4.27Å; A323-L391 HydrophobicContact CB-CD1 4.44Å; A323-L394 HydrophobicContact CB-CD1 3.95Å
324E96.8Very high96.5Very high79 Ų7964.9 Ų64.937%0.36932%0.317SS..Hα-helixtrans-60.3-46.8174.2-74.4-173.2152.800112.2L320 C322 M326 R327 Y328 L391L320-E324 HydrophobicContact CD2-CG 4.02Å; L320-E324 WeakPolarHBondContact O-CG 3.34Å; L320-E324 PolarHBondContact O-N 3.22Å; C322-E324 VanDerWaalsContact C-N 3.34Å; C322-E324 PolarHBondContact O-N 2.8Å; E324-M326 VanDerWaalsContact C-N 3.32Å; E324-M326 PolarHBondContact O-N 3.46Å; E324-R327 PolarHBondContact O-N 2.75Å; E324-Y328 WeakPolarHBondContact O-CB 3.44Å; E324-Y328 PolarHBondContact O-N 2.87Å; E324-L391 HydrophobicContact CG-CD1 3.39Å; E324-L391 HydrophobicContact CG-CD2 4.13Å; E324-L391 HydrophobicContact CG-CG 4.42Å
325R96.8Very high96.4Very high186 Ų18666 Ų6670%0.70232%0.323SS*.Hα-helixtrans-61.4-42.2177.4-179-178.9176.6179.7-0.4111.4H321 C322 Y328 T329H321-R325 WeakPolarHBondContact O-CB 3.36Å; H321-R325 PolarHBondContact O-N 3.16Å; H321-R325 VanDerWaalsContact O-N 3.07Å; C322-R325 WeakPolarHBondContact O-CB 3.47Å; C322-R325 PolarHBondContact O-N 2.96Å; R325-Y328 PolarHBondContact O-N 2.75Å; R325-T329 WeakPolarHBondContact O-CB 3.29Å; R325-T329 PolarHBondContact O-N 3.18Å; R325-T329 PolarHBondContact O-OG1 2.89Å
326M95.2Very high96.1Very high72 Ų7268.7 Ų68.736%0.35534%0.338SS..Hα-helixtrans-67.2-43.1178.5-68.7-56.5-68.600111.7C322 A323 E324 Y328 T329 A330 Y387C322-M326 WeakPolarHBondContact O-CG 3.18Å; C322-M326 PolarHBondContact O-N 3.44Å; A323-M326 PolarHBondContact O-N 2.49Å; E324-M326 VanDerWaalsContact C-N 3.32Å; E324-M326 PolarHBondContact O-N 3.46Å; M326-Y328 PolarHBondContact O-N 3.49Å; M326-T329 PolarHBondContact O-N 2.78Å; M326-A330 PolarHBondContact O-N 3.28Å; M326-Y387 HydrophobicContact CB-CD1 3.83Å; M326-Y387 HydrophobicContact CB-CD2 3.97Å; M326-Y387 HydrophobicContact CB-CE1 3.68Å; M326-Y387 HydrophobicContact CB-CE2 3.8Å; M326-Y387 HydrophobicContact CB-CG 4Å; M326-Y387 HydrophobicContact CE-CE1 4.48Å; M326-Y387 HydrophobicContact CE-CE2 4.28Å; M326-Y387 WeakPolarHBondContact CE-OH 3.32Å; M326-Y387 HydrophobicContact CG-CE1 4.26Å
327R96.6Very high95.8Very high71 Ų7168.9 Ų68.927%0.26834%0.339SS..Hα-helixtrans-59.6-45.2173.5-169.5179.465.496.40.7112.2A323 E324 T329 A330 A331 Y384 T388A323-R327 WeakPolarHBondContact O-CB 3.46Å; A323-R327 PolarHBondContact O-N 3.29Å; E324-R327 PolarHBondContact O-N 2.75Å; R327-T329 VanDerWaalsContact C-N 3.33Å; R327-A330 PolarHBondContact O-N 3.37Å; R327-A331 WeakPolarHBondContact O-CB 3.24Å; R327-A331 PolarHBondContact O-N 3.45Å; R327-Y384 HydrophobicContact CG-CD2 3.76Å; R327-Y384 HydrophobicContact CG-CE2 3.7Å; R327-Y384 PolarHBondContact NH1-OH 3.14Å; R327-T388 WeakPolarHBondContact CD-OG1 3.34Å
328Y96.9Very high95.6Very high155 Ų15569.1 Ų69.161%0.60834%0.344SS*.Hα-helixtrans-62.4-42176.2179.2-99.7000111.6E324 R325 M326 A331 R332E324-Y328 WeakPolarHBondContact O-CB 3.44Å; E324-Y328 PolarHBondContact O-N 2.87Å; R325-Y328 PolarHBondContact O-N 2.75Å; M326-Y328 PolarHBondContact O-N 3.49Å; Y328-A331 PolarHBondContact O-N 2.96Å; Y328-R332 WeakPolarHBondContact O-CB 3.09Å; Y328-R332 PolarHBondContact O-N 3.47Å
329T95.8Very high95.5Very high47 Ų4767.9 Ų67.929%0.28834%0.343SS..Hα-helixtrans-62.4-46.1176.4-57.80000111.2R325 M326 R327 A331 R332 T333R325-T329 WeakPolarHBondContact O-CB 3.29Å; R325-T329 PolarHBondContact O-N 3.18Å; R325-T329 PolarHBondContact O-OG1 2.89Å; M326-T329 PolarHBondContact O-N 2.78Å; R327-T329 VanDerWaalsContact C-N 3.33Å; T329-A331 PolarHBondContact O-N 3.21Å; T329-R332 PolarHBondContact O-N 3.46Å; T329-T333 WeakPolarHBondContact O-CB 3.36Å; T329-T333 PolarHBondContact O-N 3.19Å; T329-T333 PolarHBondContact O-OG1 3.07Å
330A95.5Very high95.2Very high6 Ų672 Ų725%0.0536%0.362CS..Hα-helixtrans-60-45.4175.900000111.8M326 R327 T333 G334 L383 Y387M326-A330 PolarHBondContact O-N 3.28Å; R327-A330 PolarHBondContact O-N 3.37Å; A330-T333 PolarHBondContact O-N 2.86Å; A330-G334 PolarHBondContact O-N 3.4Å; A330-L383 HydrophobicContact CB-CB 4.14Å; A330-Y387 HydrophobicContact CB-CD2 4.25Å; A330-Y387 HydrophobicContact CB-CE2 4.43Å
331A96.3Very high94.9Very high35 Ų3573.2 Ų73.229%0.28937%0.369SS..Hα-helixtrans-61-47.8177.100000112.1R327 Y328 T329 T333 G334 V335 Y384R327-A331 WeakPolarHBondContact O-CB 3.24Å; R327-A331 PolarHBondContact O-N 3.45Å; Y328-A331 PolarHBondContact O-N 2.96Å; T329-A331 PolarHBondContact O-N 3.21Å; A331-T333 PolarHBondContact O-N 2.89Å; A331-G334 PolarHBondContact O-N 3.33Å; A331-V335 WeakPolarHBondContact O-CG2 3.48Å; A331-V335 PolarHBondContact O-N 2.95Å; A331-Y384 HydrophobicContact CB-CD2 3.92Å; A331-Y384 HydrophobicContact CB-CE2 3.97Å
332R96.6Very high94.8Very high135 Ų13571.5 Ų71.551%0.50937%0.367SS..Hα-helixtrans-61.3-45.2178.9-173.8-179.166.7175-0.5111.6Y328 T329 G334 V335 M336Y328-R332 WeakPolarHBondContact O-CB 3.09Å; Y328-R332 PolarHBondContact O-N 3.47Å; T329-R332 PolarHBondContact O-N 3.46Å; R332-G334 VanDerWaalsContact C-N 3.32Å; R332-G334 PolarHBondContact O-N 2.94Å; R332-V335 PolarHBondContact O-N 2.93Å; R332-M336 WeakPolarHBondContact O-CG 3.18Å; R332-M336 PolarHBondContact O-N 3.35Å
333T94.6Very high94.5Very high54 Ų5473.1 Ų73.133%0.33137%0.371SS..Hα-helixtrans-63.9-39.1177-560000111.4T329 A330 A331 M336 G337 I376 T380T329-T333 WeakPolarHBondContact O-CB 3.36Å; T329-T333 PolarHBondContact O-N 3.19Å; T329-T333 PolarHBondContact O-OG1 3.07Å; A330-T333 PolarHBondContact O-N 2.86Å; A331-T333 PolarHBondContact O-N 2.89Å; T333-M336 PolarHBondContact O-N 2.57Å; T333-G337 PolarHBondContact O-N 2.78Å; T333-I376 HydrophobicContact CG2-CG2 4.29Å; T333-T380 HydrophobicContact CG2-CG2 3.71Å
334G94.9Very high94.2Very high11 Ų1173.5 Ų73.511%0.11337%0.372CS..Hα-helixtrans-62-44.3173.800000112.7A330 A331 R332 M336 G337 L338 L377 T380A330-G334 PolarHBondContact O-N 3.4Å; A331-G334 PolarHBondContact O-N 3.33Å; R332-G334 VanDerWaalsContact C-N 3.32Å; R332-G334 PolarHBondContact O-N 2.94Å; G334-M336 VanDerWaalsContact C-N 3.35Å; G334-M336 PolarHBondContact O-N 2.91Å; G334-G337 PolarHBondContact O-N 3.3Å; G334-L338 PolarHBondContact O-N 3.19Å; G334-L377 VanDerWaalsContact O-CD2 3.23Å; G334-L377 WeakPolarHBondContact O-CD2 3.35Å; G334-T380 WeakPolarHBondContact CA-OG1 3.42Å
335V95.3Very high93.8Very high99 Ų9974.7 Ų74.760%0.638%0.381SS*.Hα-helixtrans-62.3-41.3175.3171.90000111.5A331 R332 L338 A339A331-V335 WeakPolarHBondContact O-CG2 3.48Å; A331-V335 PolarHBondContact O-N 2.95Å; R332-V335 PolarHBondContact O-N 2.93Å; V335-L338 PolarHBondContact O-N 3.25Å; V335-A339 WeakPolarHBondContact O-CB 3.35Å; V335-A339 PolarHBondContact O-N 3.08Å
336M93Very high93.4Very high114 Ų11468.5 Ų68.556%0.56237%0.369SS*.Hα-helixtrans-62.6-44.2174.4-70.3176.567.100111.6R332 T333 G334 L338 A339 L340R332-M336 WeakPolarHBondContact O-CG 3.18Å; R332-M336 PolarHBondContact O-N 3.35Å; T333-M336 PolarHBondContact O-N 2.57Å; G334-M336 VanDerWaalsContact C-N 3.35Å; G334-M336 PolarHBondContact O-N 2.91Å; M336-L338 VanDerWaalsContact C-N 3.3Å; M336-L338 PolarHBondContact O-N 2.86Å; M336-A339 PolarHBondContact O-N 2.91Å; M336-L340 WeakPolarHBondContact O-CG 3.44Å; M336-L340 PolarHBondContact O-N 3.09Å
337G91.8Very high92.9Very high3 Ų369.5 Ų69.53%0.03138%0.375CS..Hα-helixtrans-60.5-38.6174.700000112.8T333 G334 L340 L341T333-G337 PolarHBondContact O-N 2.78Å; G334-G337 PolarHBondContact O-N 3.3Å; G337-L340 PolarHBondContact O-N 2.74Å; G337-L341 PolarHBondContact O-N 3.25Å
338L94.3Very high92.2Very high90 Ų9067.6 Ų67.647%0.47137%0.374SS..Hα-helixtrans-67.1-44.3176.1-176.861000111.5G334 V335 M336 L340 L341 V342 L377G334-L338 PolarHBondContact O-N 3.19Å; V335-L338 PolarHBondContact O-N 3.25Å; M336-L338 VanDerWaalsContact C-N 3.3Å; M336-L338 PolarHBondContact O-N 2.86Å; L338-L340 VanDerWaalsContact C-N 3.3Å; L338-L340 PolarHBondContact O-N 3.25Å; L338-L341 PolarHBondContact O-N 3.07Å; L338-V342 HydrophobicContact CD1-CG2 4.46Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.4Å; L338-L377 HydrophobicContact CB-CD2 3.96Å; L338-L377 HydrophobicContact CD1-CD1 4.48Å
339A93.8Very high91.6Very high60 Ų6061.9 Ų61.950%0.49636%0.359SS..Hα-helixtrans-61.3-39.8177.200000111.7V335 M336 V342 L343V335-A339 WeakPolarHBondContact O-CB 3.35Å; V335-A339 PolarHBondContact O-N 3.08Å; M336-A339 PolarHBondContact O-N 2.91Å; A339-V342 PolarHBondContact O-N 2.96Å; A339-L343 WeakPolarHBondContact O-CB 3.31Å; A339-L343 PolarHBondContact O-N 3Å
340L91.1Very high90.9Very high93 Ų9364 Ų6449%0.48737%0.371SS..Hα-helixtrans-63.8-43.9174.3-71.6172.7000112M336 G337 L338 V342 L343 E344M336-L340 WeakPolarHBondContact O-CG 3.44Å; M336-L340 PolarHBondContact O-N 3.09Å; G337-L340 PolarHBondContact O-N 2.74Å; L338-L340 VanDerWaalsContact C-N 3.3Å; L338-L340 PolarHBondContact O-N 3.25Å; L340-V342 PolarHBondContact O-N 3.33Å; L340-L343 PolarHBondContact O-N 3.3Å; L340-E344 WeakPolarHBondContact O-CB 3.31Å; L340-E344 PolarHBondContact O-N 3.24Å
341L91.6Very high89.8Confident39 Ų3967.2 Ų67.220%0.20439%0.392CS..Hα-helixtrans-63-41.5176.4-174.866.2000112G337 L338 E344 L345 C373 L377G337-L341 PolarHBondContact O-N 3.25Å; L338-L341 PolarHBondContact O-N 3.07Å; L341-E344 PolarHBondContact O-N 3.28Å; L341-L345 HydrophobicContact CG-CD1 4.49Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.4Å; L341-L345 PolarHBondContact O-N 3.29Å; L341-C373 HydrophobicContact CB-CB 4.08Å; L341-C373 HydrophobicContact CD1-CB 4.01Å; L341-L377 HydrophobicContact CD2-CD1 3.79Å
342V92.7Very high88.5Confident86 Ų8670.8 Ų70.852%0.52141%0.414SS..Hα-helixtrans-65.4-42.3176.51710000111.1L338 A339 L340 E344 L345 A346L338-V342 HydrophobicContact CD1-CG2 4.46Å; L338-V342 WeakPolarHBondContact O-CG2 3.41Å; L338-V342 PolarHBondContact O-N 3.4Å; A339-V342 PolarHBondContact O-N 2.96Å; L340-V342 PolarHBondContact O-N 3.33Å; V342-E344 VanDerWaalsContact C-N 3.31Å; V342-E344 PolarHBondContact O-N 3.05Å; V342-L345 PolarHBondContact O-N 3.14Å; V342-A346 WeakPolarHBondContact O-CB 3.13Å; V342-A346 PolarHBondContact O-N 3Å
343L90.7Very high87.1Confident100 Ų10072.7 Ų72.752%0.52443%0.426SS..Hα-helixtrans-60.7-42.8175.2177.562.6000111.2A339 L340 A346 I347A339-L343 WeakPolarHBondContact O-CB 3.31Å; A339-L343 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 3.3Å; L343-A346 WeakPolarHBondContact O-CB 3.49Å; L343-A346 PolarHBondContact O-N 3.36Å; L343-I347 HydrophobicContact CD1-CD1 4.39Å; L343-I347 HydrophobicContact CG-CD1 4.15Å; L343-I347 WeakPolarHBondContact O-CG1 2.93Å; L343-I347 PolarHBondContact O-N 2.7Å
344E88.4Confident85.8Confident8 Ų872.7 Ų72.74%0.03743%0.431CS..Hα-helixtrans-61.9-46.9176.5178.7170.8-155.800111.8L340 L341 V342 A346 I347 A348 F366 L369 A370L340-E344 WeakPolarHBondContact O-CB 3.31Å; L340-E344 PolarHBondContact O-N 3.24Å; L341-E344 PolarHBondContact O-N 3.28Å; V342-E344 VanDerWaalsContact C-N 3.31Å; V342-E344 PolarHBondContact O-N 3.05Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 2.95Å; E344-I347 PolarHBondContact O-N 2.94Å; E344-A348 PolarHBondContact O-N 3Å; E344-F366 HydrophobicContact CB-CE2 4.41Å; E344-F366 HydrophobicContact CG-CD2 3.65Å; E344-F366 HydrophobicContact CG-CE2 3.14Å; E344-F366 HydrophobicContact CG-CZ 3.77Å; E344-F366 WeakPolarHBondContact O-CE2 3.47Å; E344-F366 WeakPolarHBondContact OE1-CD2 3.47Å; E344-L369 HydrophobicContact CG-CD2 4.45Å; E344-L369 WeakPolarHBondContact OE1-CB 3.3Å; E344-A370 PolarHBondContact OE1-N 3.4Å; E344-A370 VanDerWaalsContact OE1-N 3.14Å; E344-A370 VanDerWaalsContact OE2-CA 3.25Å; E344-A370 WeakPolarHBondContact OE2-CA 3.42Å; E344-A370 PolarHBondContact OE2-N 2.96Å; E344-A370 VanDerWaalsContact OE2-N 3.17Å
345L88.6Confident84Confident105 Ų10580.9 Ų80.955%0.5547%0.472SS..Hα-helixtrans-60.9-37.8174.2-70.5172.3000112.3L341 V342 A348 A349L341-L345 HydrophobicContact CG-CD1 4.49Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.4Å; L341-L345 PolarHBondContact O-N 3.29Å; V342-L345 PolarHBondContact O-N 3.14Å; L345-A348 PolarHBondContact O-N 3.48Å; L345-A349 PolarHBondContact O-N 3.48Å; L345-A349 VanDerWaalsContact O-N 3.07Å
346A88.2Confident82.1Confident55 Ų5580.1 Ų80.146%0.45548%0.484SS..Hα-helixtrans-64.4-43.9175.400000111.7V342 L343 E344 A348 A349 V350V342-A346 WeakPolarHBondContact O-CB 3.13Å; V342-A346 PolarHBondContact O-N 3Å; L343-A346 WeakPolarHBondContact O-CB 3.49Å; L343-A346 PolarHBondContact O-N 3.36Å; E344-A346 VanDerWaalsContact C-N 3.29Å; E344-A346 PolarHBondContact O-N 2.95Å; A346-A348 VanDerWaalsContact C-N 3.34Å; A346-A348 PolarHBondContact O-N 2.79Å; A346-A349 PolarHBondContact O-N 2.99Å; A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 3.39Å
347I84.9Confident80.3Confident94 Ų9478 Ų7848%0.48248%0.484SS..Hα-helixtrans-61.3-42.6174.9-67.8165000110.7L343 E344 A349 V350L343-I347 HydrophobicContact CD1-CD1 4.39Å; L343-I347 HydrophobicContact CG-CD1 4.15Å; L343-I347 WeakPolarHBondContact O-CG1 2.93Å; L343-I347 PolarHBondContact O-N 2.7Å; E344-I347 PolarHBondContact O-N 2.94Å; I347-A349 PolarHBondContact O-N 3.23Å; I347-V350 WeakPolarHBondContact O-CB 3.16Å; I347-V350 PolarHBondContact O-N 2.84Å
348A82Confident78.8Confident30 Ų3087.8 Ų87.825%0.24853%0.529CS..Hα-helixtrans-64.3-27.4177.800000113.7E344 L345 A346 P351 F361 F366E344-A348 PolarHBondContact O-N 3Å; L345-A348 PolarHBondContact O-N 3.48Å; A346-A348 VanDerWaalsContact C-N 3.34Å; A346-A348 PolarHBondContact O-N 2.79Å; A348-P351 WeakPolarHBondContact O-CD 3.32Å; A348-F361 HydrophobicContact CB-CZ 4.39Å; A348-F366 HydrophobicContact CB-CE1 4.41Å; A348-F366 HydrophobicContact CB-CE2 3.56Å; A348-F366 HydrophobicContact CB-CZ 3.44Å; A348-F366 VanDerWaalsContact CB-CZ 3.44Å
349A82.9Confident77.3Confident35 Ų3591.1 Ų91.129%0.28954%0.542SS..Hα-helixtrans-80.5-19.9178.300000113L345 A346 I347 C352 F353L345-A349 PolarHBondContact O-N 3.48Å; L345-A349 VanDerWaalsContact O-N 3.07Å; A346-A349 PolarHBondContact O-N 2.99Å; I347-A349 PolarHBondContact O-N 3.23Å; A349-C352 VanDerWaalsContact O-CB 3.3Å; A349-C352 WeakPolarHBondContact O-CB 3.44Å; A349-C352 PolarHBondContact O-N 3.44Å; A349-F353 HydrophobicContact CB-CD2 4.47Å; A349-F353 HydrophobicContact CB-CE2 4.14Å; A349-F353 WeakPolarHBondContact O-CD2 3.36Å; A349-F353 PolarHBondContact O-N 3.28Å
350V81.1Confident76.2Confident91 Ų9194 Ų9455%0.55256%0.557SS**Hα-helixtrans-53.3-46.4-178.3175.90000112.9A346 I347 C352 F353 A354A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 3.39Å; I347-V350 WeakPolarHBondContact O-CB 3.16Å; I347-V350 PolarHBondContact O-N 2.84Å; V350-C352 PolarHBondContact O-N 2.92Å; V350-F353 PolarHBondContact O-N 3.06Å; V350-F353 VanDerWaalsContact O-N 3.08Å; V350-A354 PolarHBondContact O-N 3.1Å
351P73.9Confident75.4Confident75 Ų7593 Ų9349%0.48755%0.548SS..Hα-helixtrans-62.2-27.9176.8-23.235.4000114.1A348 F353 A354A348-P351 WeakPolarHBondContact O-CD 3.32Å; P351-F353 PolarHBondContact O-N 2.8Å; P351-A354 PolarHBondContact O-N 3.18Å
352C68Low74.9Confident110 Ų11095 Ų9574%0.74356%0.563SS**Hα-helixtrans-69.7-22.6176.3-59.80000112.7A349 V350A349-C352 VanDerWaalsContact O-CB 3.3Å; A349-C352 WeakPolarHBondContact O-CB 3.44Å; A349-C352 PolarHBondContact O-N 3.44Å; V350-C352 PolarHBondContact O-N 2.92Å
353F67.9Low74.4Confident174 Ų17499.2 Ų99.276%0.76357%0.57SS**Hα-helixtrans-102.8-13.1177.7-63.8-72000113.2A349 V350 P351 L355A349-F353 HydrophobicContact CB-CD2 4.47Å; A349-F353 HydrophobicContact CB-CE2 4.14Å; A349-F353 WeakPolarHBondContact O-CD2 3.36Å; A349-F353 PolarHBondContact O-N 3.28Å; V350-F353 PolarHBondContact O-N 3.06Å; V350-F353 VanDerWaalsContact O-N 3.08Å; P351-F353 PolarHBondContact O-N 2.8Å; F353-L355 PolarHBondContact O-N 3.19Å
354A66.1Low74.1Confident54 Ų54100.7 Ų100.745%0.44658%0.577SS.*  trans-83.794.9176.500000110.6V350 P351 G356V350-A354 PolarHBondContact O-N 3.1Å; P351-A354 PolarHBondContact O-N 3.18Å; A354-G356 PolarHBondContact O-N 3.47Å
355L56.9Low74Confident184 Ų184104.1 Ų104.196%0.96360%0.602SS**THydrogen-bonded Turntrans-63.999.2170-77.1156.1000109.9F353F353-L355 PolarHBondContact O-N 3.19Å
356G55.4Low73.9Confident82 Ų82100.8 Ų100.885%0.84558%0.583SS**THydrogen-bonded Turntrans115.11815400000119.8A354A354-G356 PolarHBondContact O-N 3.47Å
357A55.3Low73.9Confident70 Ų70105.4 Ų105.458%0.57959%0.59SS**  trans-135.7113.717200000112.8Q359A357-Q359 VanDerWaalsContact C-N 3.34Å; A357-Q359 HydrophobicContact CB-CG 4.46Å; A357-Q359 PolarHBondContact O-N 2.98Å
358E61Low74.1Confident208 Ų208106.5 Ų106.597%0.97260%0.596SS**  trans-72.788.5167.7-69.5-145.5169.300109.9
359Q62.9Low74.5Confident160 Ų160109 Ų10975%0.74861%0.605SS**  trans-86.7135.1170.7-71.7-88.5-21.300109.5A357 F361A357-Q359 VanDerWaalsContact C-N 3.34Å; A357-Q359 HydrophobicContact CB-CG 4.46Å; A357-Q359 PolarHBondContact O-N 2.98Å; Q359-F361 PolarHBondContact O-N 3.31Å; Q359-F361 VanDerWaalsContact O-N 3.08Å
360P69.8Low74.8Confident122 Ų122108.5 Ų108.579%0.79260%0.6SS**  trans-66110.2175.625.5-31.4000110.4
361F75.9Confident75.3Confident72 Ų72106.9 Ų106.932%0.31660%0.597SS.*  trans-83.1129.6178.2-173.1-97.2000111.1A348 Q359 R363 F366A348-F361 HydrophobicContact CB-CZ 4.39Å; Q359-F361 PolarHBondContact O-N 3.31Å; Q359-F361 VanDerWaalsContact O-N 3.08Å; F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 HydrophobicContact CD1-CG 3.91Å; F361-R363 PolarHBondContact O-N 3.48Å; F361-F366 HydrophobicContact CE1-CB 3.63Å; F361-F366 HydrophobicContact CE1-CD1 4.04Å; F361-F366 AromaticContact CE1-CD2 3.87Å; F361-F366 HydrophobicContact CE1-CD2 3.87Å; F361-F366 AromaticContact CE1-CG 3.57Å; F361-F366 HydrophobicContact CE1-CG 3.57Å; F361-F366 HydrophobicContact CZ-CB 4.01Å; F361-F366 HydrophobicContact CZ-CD1 4.34Å; F361-F366 AromaticContact CZ-CD2 3.42Å; F361-F366 HydrophobicContact CZ-CD2 3.42Å; F361-F366 VanDerWaalsContact CZ-CD2 3.42Å; F361-F366 AromaticContact CZ-CE2 3.88Å; F361-F366 HydrophobicContact CZ-CE2 3.88Å; F361-F366 AromaticContact CZ-CG 3.66Å; F361-F366 HydrophobicContact CZ-CG 3.66Å
362P80.4Confident76.2Confident80 Ų80108.1 Ų108.152%0.51960%0.598SS.*  trans-7672.9-178.432.5-36000111.7I364 S365 F366P362-I364 VanDerWaalsContact C-N 3.31Å; P362-I364 PolarHBondContact O-N 3.37Å; P362-S365 PolarHBondContact O-N 2.9Å; P362-F366 WeakPolarHBondContact O-CB 3.32Å; P362-F366 PolarHBondContact O-N 3.48Å
363R82Confident77.3Confident175 Ų175103 Ų10366%0.6656%0.564SS**Hα-helixtrans-54.2-41.3-174-67.5179.3-177.11791.4113.8F361 F366 Y367F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 HydrophobicContact CD1-CG 3.91Å; F361-R363 PolarHBondContact O-N 3.48Å; R363-F366 PolarHBondContact O-N 3.37Å; R363-Y367 HydrophobicContact CB-CD2 4.46Å; R363-Y367 HydrophobicContact CB-CE2 4.11Å; R363-Y367 WeakPolarHBondContact O-CD2 3.44Å; R363-Y367 PolarHBondContact O-N 2.94Å
364I84.5Confident78.5Confident131 Ų131100.9 Ų100.967%0.67255%0.554SS**Hα-helixtrans-66.3-51.1-177.8-62.1173.9000110.4P362 F366 Y367 L368P362-I364 VanDerWaalsContact C-N 3.31Å; P362-I364 PolarHBondContact O-N 3.37Å; I364-F366 VanDerWaalsContact C-N 3.25Å; I364-F366 PolarHBondContact O-N 3.43Å; I364-Y367 PolarHBondContact O-N 3.23Å; I364-L368 HydrophobicContact CG2-CD1 3.96Å; I364-L368 HydrophobicContact CG2-CG 4.41Å; I364-L368 WeakPolarHBondContact O-CB 3.17Å; I364-L368 VanDerWaalsContact O-CG 3.31Å; I364-L368 WeakPolarHBondContact O-CG 2.93Å; I364-L368 PolarHBondContact O-N 3.47Å
365S85.3Confident79.8Confident79 Ų79100.5 Ų100.555%0.55255%0.551SS**Hα-helixtrans-61.3-36.7179-530000112.1P362 L369P362-S365 PolarHBondContact O-N 2.9Å; S365-L369 WeakPolarHBondContact O-CB 3.45Å; S365-L369 PolarHBondContact O-N 3.05Å
366F87.3Confident81.6Confident36 Ų3694.2 Ų94.216%0.15852%0.518CS..Hα-helixtrans-62.3-54.3173.1-175.7-96.4000111.8E344 A348 F361 P362 R363 I364 L368 L369 A370E344-F366 HydrophobicContact CB-CE2 4.41Å; E344-F366 HydrophobicContact CG-CD2 3.65Å; E344-F366 HydrophobicContact CG-CE2 3.14Å; E344-F366 HydrophobicContact CG-CZ 3.77Å; E344-F366 WeakPolarHBondContact O-CE2 3.47Å; E344-F366 WeakPolarHBondContact OE1-CD2 3.47Å; A348-F366 HydrophobicContact CB-CE1 4.41Å; A348-F366 HydrophobicContact CB-CE2 3.56Å; A348-F366 HydrophobicContact CB-CZ 3.44Å; A348-F366 VanDerWaalsContact CB-CZ 3.44Å; F361-F366 HydrophobicContact CE1-CB 3.63Å; F361-F366 HydrophobicContact CE1-CD1 4.04Å; F361-F366 AromaticContact CE1-CD2 3.87Å; F361-F366 HydrophobicContact CE1-CD2 3.87Å; F361-F366 AromaticContact CE1-CG 3.57Å; F361-F366 HydrophobicContact CE1-CG 3.57Å; F361-F366 HydrophobicContact CZ-CB 4.01Å; F361-F366 HydrophobicContact CZ-CD1 4.34Å; F361-F366 AromaticContact CZ-CD2 3.42Å; F361-F366 HydrophobicContact CZ-CD2 3.42Å; F361-F366 VanDerWaalsContact CZ-CD2 3.42Å; F361-F366 AromaticContact CZ-CE2 3.88Å; F361-F366 HydrophobicContact CZ-CE2 3.88Å; F361-F366 AromaticContact CZ-CG 3.66Å; F361-F366 HydrophobicContact CZ-CG 3.66Å; P362-F366 WeakPolarHBondContact O-CB 3.32Å; P362-F366 PolarHBondContact O-N 3.48Å; R363-F366 PolarHBondContact O-N 3.37Å; I364-F366 VanDerWaalsContact C-N 3.25Å; I364-F366 PolarHBondContact O-N 3.43Å; F366-L368 VanDerWaalsContact C-N 3.25Å; F366-L368 PolarHBondContact O-N 2.76Å; F366-L369 PolarHBondContact O-N 3.37Å; F366-L369 VanDerWaalsContact O-N 3.11Å; F366-A370 WeakPolarHBondContact O-CB 3.26Å; F366-A370 PolarHBondContact O-N 2.87Å
367Y88.3Confident83.5Confident152 Ų15292.1 Ų92.160%0.59649%0.487SS*.Hα-helixtrans-61.8-34179-65.1-47.1000113.2R363 I364 A371R363-Y367 HydrophobicContact CB-CD2 4.46Å; R363-Y367 HydrophobicContact CB-CE2 4.11Å; R363-Y367 WeakPolarHBondContact O-CD2 3.44Å; R363-Y367 PolarHBondContact O-N 2.94Å; I364-Y367 PolarHBondContact O-N 3.23Å; Y367-A371 VanDerWaalsContact O-CB 3.27Å; Y367-A371 WeakPolarHBondContact O-CB 3.46Å; Y367-A371 PolarHBondContact O-N 3.14Å
368L90.1Very high85.4Confident116 Ų11692.8 Ų92.861%0.60748%0.481SS*.Hα-helixtrans-66.5-42.2174.5-71.4174.5000112.3I364 F366 A371 L372I364-L368 HydrophobicContact CG2-CD1 3.96Å; I364-L368 HydrophobicContact CG2-CG 4.41Å; I364-L368 WeakPolarHBondContact O-CB 3.17Å; I364-L368 VanDerWaalsContact O-CG 3.31Å; I364-L368 WeakPolarHBondContact O-CG 2.93Å; I364-L368 PolarHBondContact O-N 3.47Å; F366-L368 VanDerWaalsContact C-N 3.25Å; F366-L368 PolarHBondContact O-N 2.76Å; L368-A371 PolarHBondContact O-N 3.25Å; L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.85Å
369L89.3Confident87Confident84 Ų8486.5 Ų86.544%0.4446%0.457SS..Hα-helixtrans-68.3-42.6177.5-178.464.4000111.4E344 S365 F366 A371 L372 C373E344-L369 HydrophobicContact CG-CD2 4.45Å; E344-L369 WeakPolarHBondContact OE1-CB 3.3Å; S365-L369 WeakPolarHBondContact O-CB 3.45Å; S365-L369 PolarHBondContact O-N 3.05Å; F366-L369 PolarHBondContact O-N 3.37Å; F366-L369 VanDerWaalsContact O-N 3.11Å; L369-A371 PolarHBondContact O-N 3.24Å; L369-L372 WeakPolarHBondContact O-CB 3.16Å; L369-L372 PolarHBondContact O-N 3.18Å; L369-C373 PolarHBondContact O-N 3.12Å; L369-C373 PolarHBondContact O-SG 2.95Å
370A89.3Confident88.6Confident24 Ų2479.5 Ų79.520%0.19843%0.425CS..Hα-helixtrans-60.6-43.4174.300000112E344 F366 L372 C373 F374E344-A370 PolarHBondContact OE1-N 3.4Å; E344-A370 VanDerWaalsContact OE1-N 3.14Å; E344-A370 VanDerWaalsContact OE2-CA 3.25Å; E344-A370 WeakPolarHBondContact OE2-CA 3.42Å; E344-A370 PolarHBondContact OE2-N 2.96Å; E344-A370 VanDerWaalsContact OE2-N 3.17Å; F366-A370 WeakPolarHBondContact O-CB 3.26Å; F366-A370 PolarHBondContact O-N 2.87Å; A370-L372 VanDerWaalsContact C-N 3.35Å; A370-C373 PolarHBondContact O-N 2.78Å; A370-F374 WeakPolarHBondContact O-CB 3.41Å; A370-F374 PolarHBondContact O-N 2.93Å
371A91.8Very high89.8Confident57 Ų5779.6 Ų79.647%0.47141%0.413SS..Hα-helixtrans-62.8-41.1175.400000111.9Y367 L368 L369 F374 A375Y367-A371 VanDerWaalsContact O-CB 3.27Å; Y367-A371 WeakPolarHBondContact O-CB 3.46Å; Y367-A371 PolarHBondContact O-N 3.14Å; L368-A371 PolarHBondContact O-N 3.25Å; L369-A371 PolarHBondContact O-N 3.24Å; A371-F374 PolarHBondContact O-N 3.48Å; A371-A375 WeakPolarHBondContact O-CB 3.42Å; A371-A375 PolarHBondContact O-N 3.28Å
372L92.1Very high90.8Very high100 Ų10081 Ų8152%0.52442%0.423SS..Hα-helixtrans-63.8-46.2175.1179.563.5000111.6L368 L369 A370 F374 A375 I376L368-L372 WeakPolarHBondContact O-CB 3.39Å; L368-L372 PolarHBondContact O-N 2.85Å; L369-L372 WeakPolarHBondContact O-CB 3.16Å; L369-L372 PolarHBondContact O-N 3.18Å; A370-L372 VanDerWaalsContact C-N 3.35Å; L372-F374 VanDerWaalsContact C-N 3.33Å; L372-F374 PolarHBondContact O-N 2.64Å; L372-A375 PolarHBondContact O-N 3.5Å; L372-I376 HydrophobicContact CD1-CD1 4.17Å; L372-I376 HydrophobicContact CD1-CG1 4.41Å; L372-I376 HydrophobicContact CG-CD1 3.98Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 3.4Å
373C92.4Very high91.5Very high2 Ų279.3 Ų79.31%0.01441%0.41CS..Hα-helixtrans-59.8-44.5176.6-690000111.2L341 L369 A370 I376 L377L341-C373 HydrophobicContact CB-CB 4.08Å; L341-C373 HydrophobicContact CD1-CB 4.01Å; L369-C373 PolarHBondContact O-N 3.12Å; L369-C373 PolarHBondContact O-SG 2.95Å; A370-C373 PolarHBondContact O-N 2.78Å; C373-I376 PolarHBondContact O-N 3.12Å; C373-L377 WeakPolarHBondContact O-CB 3.41Å; C373-L377 VanDerWaalsContact O-CG 3.3Å; C373-L377 WeakPolarHBondContact O-CG 3.36Å; C373-L377 PolarHBondContact O-N 2.86Å
374F92.8Very high92.2Very high130 Ų13075.1 Ų75.157%0.5739%0.394SS*.Hα-helixtrans-61.5-44.8175.2-179.2-97.9000112.1A370 A371 L372 I376 L377 L378A370-F374 WeakPolarHBondContact O-CB 3.41Å; A370-F374 PolarHBondContact O-N 2.93Å; A371-F374 PolarHBondContact O-N 3.48Å; L372-F374 VanDerWaalsContact C-N 3.33Å; L372-F374 PolarHBondContact O-N 2.64Å; F374-I376 PolarHBondContact O-N 2.99Å; F374-L377 PolarHBondContact O-N 3.12Å; F374-L378 HydrophobicContact CE1-CD2 4.32Å; F374-L378 WeakPolarHBondContact O-CB 3.26Å; F374-L378 PolarHBondContact O-N 2.92Å
375A93.8Very high92.7Very high46 Ų4672.2 Ų72.238%0.3838%0.38SS..Hα-helixtrans-62.3-41.1177.500000112.3A371 L372 T379A371-A375 WeakPolarHBondContact O-CB 3.42Å; A371-A375 PolarHBondContact O-N 3.28Å; L372-A375 PolarHBondContact O-N 3.5Å; A375-T379 VanDerWaalsContact O-CB 3.28Å; A375-T379 WeakPolarHBondContact O-CB 3.4Å; A375-T379 PolarHBondContact O-N 3.46Å; A375-T379 PolarHBondContact O-OG1 2.93Å
376I93.6Very high93.1Very high52 Ų5269.9 Ų69.927%0.26736%0.36SS..Hα-helixtrans-62.7-47174.6-69.5166.7000110.3T333 L372 C373 F374 T379 T380T333-I376 HydrophobicContact CG2-CG2 4.29Å; L372-I376 HydrophobicContact CD1-CD1 4.17Å; L372-I376 HydrophobicContact CD1-CG1 4.41Å; L372-I376 HydrophobicContact CG-CD1 3.98Å; L372-I376 VanDerWaalsContact O-CG1 3.31Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 3.4Å; C373-I376 PolarHBondContact O-N 3.12Å; F374-I376 PolarHBondContact O-N 2.99Å; I376-T379 PolarHBondContact O-N 3.45Å; I376-T380 HydrophobicContact CG2-CG2 4.2Å; I376-T380 WeakPolarHBondContact O-CB 3.23Å; I376-T380 VanDerWaalsContact O-CG2 3.26Å; I376-T380 WeakPolarHBondContact O-CG2 3.3Å; I376-T380 PolarHBondContact O-N 3.3Å; I376-T380 PolarHBondContact O-OG1 3.43Å
377L95.6Very high93.6Very high38 Ų3868.5 Ų68.520%0.19935%0.354CS..Hα-helixtrans-61.1-47.6178.7-76.1171.7000112G334 L338 L341 C373 F374 T379 T380 F381G334-L377 VanDerWaalsContact O-CD2 3.23Å; G334-L377 WeakPolarHBondContact O-CD2 3.35Å; L338-L377 HydrophobicContact CB-CD2 3.96Å; L338-L377 HydrophobicContact CD1-CD1 4.48Å; L341-L377 HydrophobicContact CD2-CD1 3.79Å; C373-L377 WeakPolarHBondContact O-CB 3.41Å; C373-L377 VanDerWaalsContact O-CG 3.3Å; C373-L377 WeakPolarHBondContact O-CG 3.36Å; C373-L377 PolarHBondContact O-N 2.86Å; F374-L377 PolarHBondContact O-N 3.12Å; L377-T379 PolarHBondContact O-N 3.47Å; L377-T380 PolarHBondContact O-OG1 2.91Å; L377-T380 VanDerWaalsContact O-OG1 3.12Å; L377-F381 WeakPolarHBondContact O-CB 3.44Å; L377-F381 PolarHBondContact O-N 3.27Å
378L95.4Very high93.9Very high84 Ų8462.9 Ų62.944%0.4434%0.335SS..Hα-helixtrans-60.7-48.1177.6-179.562.1000111.1F374 F381 L382F374-L378 HydrophobicContact CE1-CD2 4.32Å; F374-L378 WeakPolarHBondContact O-CB 3.26Å; F374-L378 PolarHBondContact O-N 2.92Å; L378-F381 PolarHBondContact O-N 2.73Å; L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.48Å; L378-L382 HydrophobicContact CG-CD1 4.32Å; L378-L382 VanDerWaalsContact O-CG 3.32Å; L378-L382 WeakPolarHBondContact O-CG 3.18Å; L378-L382 PolarHBondContact O-N 2.91Å
379T94.9Very high94.2Very high76 Ų7663.1 Ų63.147%0.46633%0.334SS..Hα-helixtrans-64.2-47.6-178.6-55.60000111.4A375 I376 L377 F381 L382 L383A375-T379 VanDerWaalsContact O-CB 3.28Å; A375-T379 WeakPolarHBondContact O-CB 3.4Å; A375-T379 PolarHBondContact O-N 3.46Å; A375-T379 PolarHBondContact O-OG1 2.93Å; I376-T379 PolarHBondContact O-N 3.45Å; L377-T379 PolarHBondContact O-N 3.47Å; T379-F381 VanDerWaalsContact C-N 3.32Å; T379-F381 PolarHBondContact O-N 2.89Å; T379-L382 PolarHBondContact O-N 3.24Å; T379-L383 HydrophobicContact CG2-CD1 4.13Å; T379-L383 HydrophobicContact CG2-CG 4.5Å; T379-L383 WeakPolarHBondContact O-CB 3.48Å; T379-L383 WeakPolarHBondContact O-CG 3.26Å; T379-L383 PolarHBondContact O-N 2.91Å
380T95.9Very high94.5Very high14 Ų1459.4 Ų59.49%0.08632%0.315CS..Hα-helixtrans-66.2-34.3179.352.80000112.4T333 G334 I376 L377 Y384T333-T380 HydrophobicContact CG2-CG2 3.71Å; G334-T380 WeakPolarHBondContact CA-OG1 3.42Å; I376-T380 HydrophobicContact CG2-CG2 4.2Å; I376-T380 WeakPolarHBondContact O-CB 3.23Å; I376-T380 VanDerWaalsContact O-CG2 3.26Å; I376-T380 WeakPolarHBondContact O-CG2 3.3Å; I376-T380 PolarHBondContact O-N 3.3Å; I376-T380 PolarHBondContact O-OG1 3.43Å; L377-T380 PolarHBondContact O-OG1 2.91Å; L377-T380 VanDerWaalsContact O-OG1 3.12Å; T380-Y384 VanDerWaalsContact O-CB 3.27Å; T380-Y384 WeakPolarHBondContact O-CB 3.33Å; T380-Y384 PolarHBondContact O-N 2.71Å
381F95.9Very high94.9Very high124 Ų12459.4 Ų59.454%0.54431%0.311SS..Hα-helixtrans-64.1-47172.7178.1-107.5000112.1L377 L378 T379 Y384 I385L377-F381 WeakPolarHBondContact O-CB 3.44Å; L377-F381 PolarHBondContact O-N 3.27Å; L378-F381 PolarHBondContact O-N 2.73Å; T379-F381 VanDerWaalsContact C-N 3.32Å; T379-F381 PolarHBondContact O-N 2.89Å; F381-Y384 WeakPolarHBondContact O-CB 3.4Å; F381-Y384 PolarHBondContact O-N 2.92Å; F381-I385 HydrophobicContact CD1-CD1 4Å; F381-I385 HydrophobicContact CE1-CD1 3.45Å; F381-I385 VanDerWaalsContact CE1-CD1 3.45Å; F381-I385 HydrophobicContact CE2-CD1 4.16Å; F381-I385 HydrophobicContact CZ-CD1 3.56Å; F381-I385 HydrophobicContact CZ-CG1 4.37Å; F381-I385 WeakPolarHBondContact O-CG1 3.37Å; F381-I385 PolarHBondContact O-N 3.31Å
382L95.8Very high95.1Very high101 Ų10163.9 Ų63.953%0.52932%0.32SS..Hα-helixtrans-61.9-44.3176-68.9174.4000111.7L378 T379 Y384 I385 F386L378-L382 HydrophobicContact CD1-CD1 4.39Å; L378-L382 HydrophobicContact CD1-CG 4.48Å; L378-L382 HydrophobicContact CG-CD1 4.32Å; L378-L382 VanDerWaalsContact O-CG 3.32Å; L378-L382 WeakPolarHBondContact O-CG 3.18Å; L378-L382 PolarHBondContact O-N 2.91Å; T379-L382 PolarHBondContact O-N 3.24Å; L382-Y384 VanDerWaalsContact C-N 3.34Å; L382-Y384 PolarHBondContact O-N 3.47Å; L382-I385 PolarHBondContact O-N 3.49Å; L382-F386 WeakPolarHBondContact O-CB 3.28Å; L382-F386 PolarHBondContact O-N 3.24Å
383L95.6Very high95.4Very high44 Ų4460.7 Ų60.723%0.2331%0.306CS..Hα-helixtrans-61.5-41.3174.6-72.3174.2000111.9Y105 A330 T379 F386 Y387Y105-L383 HydrophobicContact CD1-CD2 3.43Å; Y105-L383 VanDerWaalsContact CD1-CD2 3.43Å; Y105-L383 HydrophobicContact CE1-CD2 3.56Å; Y105-L383 HydrophobicContact CG-CD2 4.4Å; A330-L383 HydrophobicContact CB-CB 4.14Å; T379-L383 HydrophobicContact CG2-CD1 4.13Å; T379-L383 HydrophobicContact CG2-CG 4.5Å; T379-L383 WeakPolarHBondContact O-CB 3.48Å; T379-L383 WeakPolarHBondContact O-CG 3.26Å; T379-L383 PolarHBondContact O-N 2.91Å; L383-F386 PolarHBondContact O-N 3.08Å; L383-Y387 HydrophobicContact CB-CD2 4.27Å; L383-Y387 HydrophobicContact CB-CE2 3.97Å; L383-Y387 HydrophobicContact CD2-CE2 4.21Å; L383-Y387 WeakPolarHBondContact O-CD2 3.33Å; L383-Y387 PolarHBondContact O-N 3.34Å
384Y96.1Very high95.6Very high87 Ų8760.6 Ų60.634%0.34131%0.305SS..Hα-helixtrans-61.4-45.2177.2-179.5-88.3000111.9R327 A331 T380 F381 L382 F386 T388R327-Y384 HydrophobicContact CG-CD2 3.76Å; R327-Y384 HydrophobicContact CG-CE2 3.7Å; R327-Y384 PolarHBondContact NH1-OH 3.14Å; A331-Y384 HydrophobicContact CB-CD2 3.92Å; A331-Y384 HydrophobicContact CB-CE2 3.97Å; T380-Y384 VanDerWaalsContact O-CB 3.27Å; T380-Y384 WeakPolarHBondContact O-CB 3.33Å; T380-Y384 PolarHBondContact O-N 2.71Å; F381-Y384 WeakPolarHBondContact O-CB 3.4Å; F381-Y384 PolarHBondContact O-N 2.92Å; L382-Y384 VanDerWaalsContact C-N 3.34Å; L382-Y384 PolarHBondContact O-N 3.47Å; Y384-F386 VanDerWaalsContact C-N 3.33Å; Y384-T388 VanDerWaalsContact O-CB 3.3Å; Y384-T388 WeakPolarHBondContact O-CB 3.41Å; Y384-T388 PolarHBondContact O-N 2.85Å; Y384-T388 PolarHBondContact O-OG1 3.48Å
385I95.8Very high95.9Very high71 Ų7157.7 Ų57.736%0.36429%0.294SS..Hα-helixtrans-59.5-48.5174.9-69.4171.5000109.8F381 L382 T388 M389F381-I385 HydrophobicContact CD1-CD1 4Å; F381-I385 HydrophobicContact CE1-CD1 3.45Å; F381-I385 VanDerWaalsContact CE1-CD1 3.45Å; F381-I385 HydrophobicContact CE2-CD1 4.16Å; F381-I385 HydrophobicContact CZ-CD1 3.56Å; F381-I385 HydrophobicContact CZ-CG1 4.37Å; F381-I385 WeakPolarHBondContact O-CG1 3.37Å; F381-I385 PolarHBondContact O-N 3.31Å; L382-I385 PolarHBondContact O-N 3.49Å; I385-T388 WeakPolarHBondContact O-CB 3.39Å; I385-T388 PolarHBondContact O-N 2.96Å; I385-T388 VanDerWaalsContact O-N 3.17Å; I385-M389 HydrophobicContact CG2-SD 4.29Å; I385-M389 WeakPolarHBondContact O-CG 3.31Å; I385-M389 PolarHBondContact O-N 2.94Å
386F94.5Very high96.1Very high29 Ų2956.9 Ų56.913%0.12729%0.289CS..Hα-helixtrans-58.7-53.8-179177.4-87.4000111.9G102 Y103 P104 W112 L382 L383 Y384 T388 M389 E390G102-F386 VanDerWaalsContact O-CZ 3.27Å; G102-F386 WeakPolarHBondContact O-CZ 3.48Å; Y103-F386 HydrophobicContact CD1-CD1 4.36Å; Y103-F386 AromaticContact CD1-CE1 3.35Å; Y103-F386 HydrophobicContact CD1-CE1 3.35Å; Y103-F386 AromaticContact CD1-CZ 3.68Å; Y103-F386 HydrophobicContact CD1-CZ 3.68Å; Y103-F386 AromaticContact CE1-CE1 3.81Å; Y103-F386 HydrophobicContact CE1-CE1 3.81Å; Y103-F386 HydrophobicContact CE1-CZ 4.31Å; Y103-F386 HydrophobicContact CG-CE1 4.48Å; P104-F386 HydrophobicContact CG-CD2 3.76Å; P104-F386 HydrophobicContact CG-CE2 4.01Å; P104-F386 HydrophobicContact CG-CG 4.28Å; W112-F386 AromaticContact NE1-CE2 3.72Å; L382-F386 WeakPolarHBondContact O-CB 3.28Å; L382-F386 PolarHBondContact O-N 3.24Å; L383-F386 PolarHBondContact O-N 3.08Å; Y384-F386 VanDerWaalsContact C-N 3.33Å; F386-T388 PolarHBondContact O-N 2.97Å; F386-M389 WeakPolarHBondContact O-CB 3.44Å; F386-M389 PolarHBondContact O-N 3.08Å; F386-E390 HydrophobicContact CE1-CB 4.44Å; F386-E390 PolarHBondContact O-N 3.45Å
387Y96.1Very high96.3Very high8 Ų854.6 Ų54.63%0.03128%0.278CS..Hα-helixtrans-64.4-26178.6-64.9-52.5000112.5Y103 Y105 M326 A330 L383 E390 L391Y103-Y387 HydrophobicContact CE1-CE1 4.27Å; Y105-Y387 HydrophobicContact CE1-CE1 4.42Å; Y105-Y387 WeakPolarHBondContact CE1-OH 3.47Å; Y105-Y387 VanDerWaalsContact CZ-OH 3.29Å; Y105-Y387 PolarHBondContact OH-OH 2.97Å; M326-Y387 HydrophobicContact CB-CD1 3.83Å; M326-Y387 HydrophobicContact CB-CD2 3.97Å; M326-Y387 HydrophobicContact CB-CE1 3.68Å; M326-Y387 HydrophobicContact CB-CE2 3.8Å; M326-Y387 HydrophobicContact CB-CG 4Å; M326-Y387 HydrophobicContact CE-CE1 4.48Å; M326-Y387 HydrophobicContact CE-CE2 4.28Å; M326-Y387 WeakPolarHBondContact CE-OH 3.32Å; M326-Y387 HydrophobicContact CG-CE1 4.26Å; A330-Y387 HydrophobicContact CB-CD2 4.25Å; A330-Y387 HydrophobicContact CB-CE2 4.43Å; L383-Y387 HydrophobicContact CB-CD2 4.27Å; L383-Y387 HydrophobicContact CB-CE2 3.97Å; L383-Y387 HydrophobicContact CD2-CE2 4.21Å; L383-Y387 WeakPolarHBondContact O-CD2 3.33Å; L383-Y387 PolarHBondContact O-N 3.34Å; Y387-E390 WeakPolarHBondContact CD1-OE2 3.3Å; Y387-L391 WeakPolarHBondContact O-CB 3.36Å; Y387-L391 PolarHBondContact O-N 3.35Å
388T96Very high96.4Very high33 Ų3353.2 Ų53.220%0.20227%0.271CS..Hα-helixtrans-69.6-39.1172.4-600000111.7R327 Y384 I385 F386 K392R327-T388 WeakPolarHBondContact CD-OG1 3.34Å; Y384-T388 VanDerWaalsContact O-CB 3.3Å; Y384-T388 WeakPolarHBondContact O-CB 3.41Å; Y384-T388 PolarHBondContact O-N 2.85Å; Y384-T388 PolarHBondContact O-OG1 3.48Å; I385-T388 WeakPolarHBondContact O-CB 3.39Å; I385-T388 PolarHBondContact O-N 2.96Å; I385-T388 VanDerWaalsContact O-N 3.17Å; F386-T388 PolarHBondContact O-N 2.97Å; T388-K392 WeakPolarHBondContact O-CG 3.47Å; T388-K392 PolarHBondContact O-N 3.23Å; T388-K392 VanDerWaalsContact O-N 3.14Å
389M95.3Very high96.6Very high121 Ų12151.5 Ų51.560%0.59626%0.262SS*.Hα-helixtrans-65.9-47.6174.3-68.617759.500111I385 F386 L391 K392 S393I385-M389 HydrophobicContact CG2-SD 4.29Å; I385-M389 WeakPolarHBondContact O-CG 3.31Å; I385-M389 PolarHBondContact O-N 2.94Å; F386-M389 WeakPolarHBondContact O-CB 3.44Å; F386-M389 PolarHBondContact O-N 3.08Å; M389-L391 VanDerWaalsContact C-N 3.34Å; M389-L391 PolarHBondContact O-N 2.9Å; M389-K392 PolarHBondContact O-N 3.37Å; M389-S393 PolarHBondContact O-N 2.91Å; M389-S393 PolarHBondContact O-OG 2.94Å
390E96.1Very high96.7Very high6 Ų652.3 Ų52.33%0.02826%0.261CS..Hα-helixtrans-56.2-48.5176.5-173.8-171.6164.400111.4L100 Y103 H151 A323 F386 Y387 K392 S393 L394L100-E390 HydrophobicContact CD2-CB 4.35Å; L100-E390 HydrophobicContact CD2-CG 3.9Å; Y103-E390 WeakPolarHBondContact CE1-OE2 3.36Å; Y103-E390 PolarHBondContact OH-OE1 2.9Å; H151-E390 IonicContact NE2-OE1 2.57Å; A323-E390 HydrophobicContact CB-CG 4.27Å; F386-E390 HydrophobicContact CE1-CB 4.44Å; F386-E390 PolarHBondContact O-N 3.45Å; Y387-E390 WeakPolarHBondContact CD1-OE2 3.3Å; E390-K392 VanDerWaalsContact C-N 3.32Å; E390-K392 PolarHBondContact O-N 3.43Å; E390-S393 PolarHBondContact O-N 2.9Å; E390-L394 HydrophobicContact CG-CD1 3.9Å; E390-L394 WeakPolarHBondContact O-CG 3.27Å; E390-L394 PolarHBondContact O-N 3.36Å
391L97Very high96.8Very high24 Ų2451.7 Ų51.713%0.12626%0.257CS..Hα-helixtrans-57.6-43.7178-175.667.1000112.1L320 A323 E324 Y387 M389 L394 Q395L320-L391 HydrophobicContact CD2-CD1 3.8Å; L320-L391 HydrophobicContact CG-CD1 3.8Å; A323-L391 HydrophobicContact CB-CD1 4.44Å; E324-L391 HydrophobicContact CG-CD1 3.39Å; E324-L391 HydrophobicContact CG-CD2 4.13Å; E324-L391 HydrophobicContact CG-CG 4.42Å; Y387-L391 WeakPolarHBondContact O-CB 3.36Å; Y387-L391 PolarHBondContact O-N 3.35Å; M389-L391 VanDerWaalsContact C-N 3.34Å; M389-L391 PolarHBondContact O-N 2.9Å; L391-L394 PolarHBondContact O-N 3.47Å; L391-Q395 WeakPolarHBondContact O-CB 3.21Å; L391-Q395 PolarHBondContact O-N 3.48Å
392K97.2Very high96.9Very high152 Ų15251.7 Ų51.766%0.66125%0.253SS*.Hα-helixtrans-65.5-40.4178.2-76.3179.6177.4-176.10112.2T388 M389 E390 G396T388-K392 WeakPolarHBondContact O-CG 3.47Å; T388-K392 PolarHBondContact O-N 3.23Å; T388-K392 VanDerWaalsContact O-N 3.14Å; M389-K392 PolarHBondContact O-N 3.37Å; E390-K392 VanDerWaalsContact C-N 3.32Å; E390-K392 PolarHBondContact O-N 3.43Å; K392-G396 PolarHBondContact O-N 2.84Å
393S97.3Very high96.9Very high32 Ų3253 Ų5322%0.22426%0.26CS..Hα-helixtrans-65.2-45.7176.3-61.80000111.5M389 E390 G396 A397M389-S393 PolarHBondContact O-N 2.91Å; M389-S393 PolarHBondContact O-OG 2.94Å; E390-S393 PolarHBondContact O-N 2.9Å; S393-G396 PolarHBondContact O-N 2.91Å; S393-A397 PolarHBondContact O-N 3.32Å
394L98.1Very high97Very high0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-62.2-46176.3-72.8164.8000112L100 V154 V316 L320 A323 E390 L391 A397 E398L100-L394 HydrophobicContact CD1-CD2 3.65Å; L100-L394 HydrophobicContact CD1-CG 3.84Å; V154-L394 HydrophobicContact CG2-CD2 4.04Å; V316-L394 HydrophobicContact CG1-CD2 4.14Å; V316-L394 WeakPolarHBondContact CG1-O 3.25Å; L320-L394 HydrophobicContact CB-CB 4.47Å; L320-L394 HydrophobicContact CD1-CB 4.44Å; L320-L394 HydrophobicContact CG-CB 4.49Å; A323-L394 HydrophobicContact CB-CD1 3.95Å; E390-L394 HydrophobicContact CG-CD1 3.9Å; E390-L394 WeakPolarHBondContact O-CG 3.27Å; E390-L394 PolarHBondContact O-N 3.36Å; L391-L394 PolarHBondContact O-N 3.47Å; L394-A397 PolarHBondContact O-N 2.92Å; L394-E398 PolarHBondContact O-N 3.02Å
395Q97.9Very high96.9Very high70 Ų7047.5 Ų47.533%0.32724%0.239SC..Hα-helixtrans-61.1-45.6177-177.46153.400111.2L320 L391 A397 E398 D399L320-Q395 HydrophobicContact CD1-CB 4.14Å; L391-Q395 WeakPolarHBondContact O-CB 3.21Å; L391-Q395 PolarHBondContact O-N 3.48Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 3.24Å; Q395-E398 PolarHBondContact O-N 3.45Å; Q395-D399 PolarHBondContact NE2-OD1 3.21Å; Q395-D399 PolarHBondContact NE2-OD2 2.97Å; Q395-D399 WeakPolarHBondContact O-CB 3.4Å; Q395-D399 PolarHBondContact O-N 3.37Å
396G98Very high96.9Very high28 Ų2845.4 Ų45.429%0.28923%0.234SC..Hα-helixtrans-59.9-42.9176.900000112.6K392 S393 Q400K392-G396 PolarHBondContact O-N 2.84Å; S393-G396 PolarHBondContact O-N 2.91Å; G396-Q400 VanDerWaalsContact O-CG 3.22Å; G396-Q400 WeakPolarHBondContact O-CG 3.35Å; G396-Q400 PolarHBondContact O-N 3.24Å
397A97.9Very high96.9Very high4 Ų446.5 Ų46.53%0.03325%0.245CC..Hα-helixtrans-64.7-43.2174.800000111.9V154 S393 L394 Q395 D399 Q400 M401V154-A397 HydrophobicContact CG1-CB 4.11Å; V154-A397 HydrophobicContact CG2-CB 3.79Å; S393-A397 PolarHBondContact O-N 3.32Å; L394-A397 PolarHBondContact O-N 2.92Å; Q395-A397 VanDerWaalsContact C-N 3.34Å; Q395-A397 PolarHBondContact O-N 3.24Å; A397-D399 PolarHBondContact O-N 3.3Å; A397-Q400 PolarHBondContact O-N 3.46Å; A397-M401 WeakPolarHBondContact O-CB 3.47Å; A397-M401 WeakPolarHBondContact O-CG 3.48Å; A397-M401 PolarHBondContact O-N 3.48Å
398E98.3Very high96.8Very high10 Ų1046.7 Ų46.75%0.04725%0.247CC..Hα-helixtrans-60.3-45.2176.9-164.8-77.2151.100111.9R313 V316 K317 L394 Q395 M401 R402R313-E398 IonicContact CZ-OE1 3.93Å; R313-E398 IonicContact NE-OE1 3.13Å; R313-E398 PolarHBondContact NE-OE1 3.46Å; R313-E398 IonicContact NH2-OE1 3.78Å; R313-E398 PolarHBondContact NH2-OE1 2.99Å; V316-E398 HydrophobicContact CG1-CB 4.06Å; K317-E398 WeakPolarHBondContact CE-OE1 3.32Å; K317-E398 HydrophobicContact CG-CG 4.02Å; K317-E398 IonicContact NZ-OE1 3.71Å; L394-E398 PolarHBondContact O-N 3.02Å; Q395-E398 PolarHBondContact O-N 3.45Å; E398-M401 PolarHBondContact O-N 3.21Å; E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 PolarHBondContact O-N 3.43Å; E398-R402 IonicContact OE2-NH1 2.69Å
399D98.1Very high96.6Very high47 Ų4748.7 Ų48.725%0.25125%0.254SS..Hα-helixtrans-62.5-43.7179-75.8-45.3000111.1Q395 A397 R402 L403Q395-D399 PolarHBondContact NE2-OD1 3.21Å; Q395-D399 PolarHBondContact NE2-OD2 2.97Å; Q395-D399 WeakPolarHBondContact O-CB 3.4Å; Q395-D399 PolarHBondContact O-N 3.37Å; A397-D399 PolarHBondContact O-N 3.3Å; D399-R402 PolarHBondContact O-N 2.9Å; D399-R402 IonicContact OD1-CZ 3.93Å; D399-R402 IonicContact OD1-NH1 2.8Å; D399-R402 PolarHBondContact OD1-NH1 3.07Å; D399-R402 IonicContact OD1-NH2 3.76Å; D399-R402 PolarHBondContact OD1-NH2 3.27Å; D399-L403 WeakPolarHBondContact O-CG 3.02Å; D399-L403 PolarHBondContact O-N 3.33Å; D399-L403 VanDerWaalsContact O-N 3.09Å
400Q97.8Very high96.5Very high94 Ų9448.2 Ų48.244%0.43925%0.25SS..Hα-helixtrans-62.7-47.4175.2-72.5171.32.900112W157 G396 A397 R402 L403 A404W157-Q400 HydrophobicContact CZ2-CB 3.97Å; G396-Q400 VanDerWaalsContact O-CG 3.22Å; G396-Q400 WeakPolarHBondContact O-CG 3.35Å; G396-Q400 PolarHBondContact O-N 3.24Å; A397-Q400 PolarHBondContact O-N 3.46Å; Q400-R402 VanDerWaalsContact C-N 3.29Å; Q400-R402 PolarHBondContact O-N 3.49Å; Q400-L403 PolarHBondContact O-N 3.36Å; Q400-A404 PolarHBondContact O-N 3.37Å
401M97.9Very high96.2Very high0 Ų053.4 Ų53.40%027%0.273CS..Hα-helixtrans-63.4-37.2177.8-69.3175.8178.700111.2V153 W157 L309 A312 R313 V316 A397 E398 A404 V405V153-M401 HydrophobicContact CG1-CE 4.2Å; W157-M401 HydrophobicContact CB-CE 3.45Å; W157-M401 VanDerWaalsContact CB-CE 3.45Å; W157-M401 HydrophobicContact CD2-CE 3.77Å; W157-M401 HydrophobicContact CD2-CG 3.63Å; W157-M401 HydrophobicContact CE3-CE 4.06Å; W157-M401 HydrophobicContact CE3-CG 3.77Å; W157-M401 HydrophobicContact CG-CE 3.48Å; W157-M401 VanDerWaalsContact CG-CE 3.48Å; W157-M401 HydrophobicContact CG-CG 4.2Å; W157-M401 HydrophobicContact CH2-CG 4.22Å; W157-M401 HydrophobicContact CZ2-CG 4.07Å; W157-M401 HydrophobicContact CZ3-CG 4.07Å; L309-M401 HydrophobicContact CD1-CB 3.98Å; L309-M401 HydrophobicContact CD1-CG 3.86Å; L309-M401 HydrophobicContact CD1-SD 4.45Å; A312-M401 HydrophobicContact CB-CE 4.39Å; A312-M401 HydrophobicContact CB-SD 4.38Å; R313-M401 HydrophobicContact CG-CB 3.34Å; R313-M401 HydrophobicContact CG-CG 4.15Å; R313-M401 HydrophobicContact CG-SD 3.77Å; V316-M401 HydrophobicContact CG2-CE 3.85Å; V316-M401 HydrophobicContact CG2-SD 3.98Å; A397-M401 WeakPolarHBondContact O-CB 3.47Å; A397-M401 WeakPolarHBondContact O-CG 3.48Å; A397-M401 PolarHBondContact O-N 3.48Å; E398-M401 PolarHBondContact O-N 3.21Å; M401-A404 PolarHBondContact O-N 2.93Å; M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 2.94Å
402R97.4Very high95.8Very high124 Ų12455.9 Ų55.947%0.46829%0.286SS..Hα-helixtrans-61-45.6175.8-177.7179.667.6-150.1-6111.5E398 D399 Q400 A404 V405 G406E398-R402 WeakPolarHBondContact O-CB 3.47Å; E398-R402 PolarHBondContact O-N 3.43Å; E398-R402 IonicContact OE2-NH1 2.69Å; D399-R402 PolarHBondContact O-N 2.9Å; D399-R402 IonicContact OD1-CZ 3.93Å; D399-R402 IonicContact OD1-NH1 2.8Å; D399-R402 PolarHBondContact OD1-NH1 3.07Å; D399-R402 IonicContact OD1-NH2 3.76Å; D399-R402 PolarHBondContact OD1-NH2 3.27Å; Q400-R402 VanDerWaalsContact C-N 3.29Å; Q400-R402 PolarHBondContact O-N 3.49Å; R402-A404 VanDerWaalsContact C-N 3.33Å; R402-V405 PolarHBondContact O-N 3.39Å; R402-G406 PolarHBondContact O-N 2.9Å; R402-G406 VanDerWaalsContact O-N 3.09Å
403L97.3Very high95.3Very high128 Ų12857.5 Ų57.567%0.6729%0.288SS*.Hα-helixtrans-61-43.8175.3-68.9171.6000111.2D399 Q400 G406 S407D399-L403 WeakPolarHBondContact O-CG 3.02Å; D399-L403 PolarHBondContact O-N 3.33Å; D399-L403 VanDerWaalsContact O-N 3.09Å; Q400-L403 PolarHBondContact O-N 3.36Å; L403-G406 PolarHBondContact O-N 3.17Å; L403-S407 PolarHBondContact O-N 3.2Å
404A96.4Very high94.3Very high10 Ų1058.9 Ų58.98%0.08331%0.307CS..Hα-helixtrans-63.3-42.9177.500000112.9W157 Y194 L309 Q400 M401 R402 G406 S407 L408W157-A404 HydrophobicContact CH2-CB 3.57Å; W157-A404 HydrophobicContact CZ2-CB 4.35Å; W157-A404 HydrophobicContact CZ3-CB 4.44Å; Y194-A404 HydrophobicContact CE2-CB 4.42Å; Y194-A404 WeakPolarHBondContact OH-CB 3.03Å; L309-A404 HydrophobicContact CD2-CB 3.75Å; Q400-A404 PolarHBondContact O-N 3.37Å; M401-A404 PolarHBondContact O-N 2.93Å; R402-A404 VanDerWaalsContact C-N 3.33Å; A404-G406 VanDerWaalsContact C-N 3.34Å; A404-G406 PolarHBondContact O-N 3.14Å; A404-S407 PolarHBondContact O-N 2.98Å; A404-L408 WeakPolarHBondContact O-CB 3.3Å; A404-L408 VanDerWaalsContact O-CG 3.23Å; A404-L408 WeakPolarHBondContact O-CG 3.37Å; A404-L408 PolarHBondContact O-N 3Å
405V95.6Very high92.3Very high7 Ų765.3 Ų65.34%0.04234%0.335CS..Hα-helixtrans-58.1-47.5174.1170.20000110.5L309 M401 R402 S407 L408 Q409L309-V405 HydrophobicContact CB-CG2 4.18Å; L309-V405 HydrophobicContact CD2-CB 4.32Å; L309-V405 HydrophobicContact CD2-CG2 3.42Å; L309-V405 VanDerWaalsContact CD2-CG2 3.42Å; L309-V405 HydrophobicContact CG-CG2 3.54Å; M401-V405 WeakPolarHBondContact O-CG2 3.42Å; M401-V405 PolarHBondContact O-N 2.94Å; R402-V405 PolarHBondContact O-N 3.39Å; V405-S407 PolarHBondContact O-N 3.26Å; V405-L408 PolarHBondContact O-N 3.4Å; V405-Q409 HydrophobicContact CG1-CG 4.16Å; V405-Q409 WeakPolarHBondContact O-CB 3.45Å; V405-Q409 VanDerWaalsContact O-CG 3.31Å; V405-Q409 WeakPolarHBondContact O-CG 3.5Å; V405-Q409 PolarHBondContact O-N 3.48Å
406G94.6Very high90Very high27 Ų2767.7 Ų67.728%0.27836%0.357SS..Hα-helixtrans-56.6-48.9177.900000112.1R402 L403 A404 L408 Q409 E410R402-G406 PolarHBondContact O-N 2.9Å; R402-G406 VanDerWaalsContact O-N 3.09Å; L403-G406 PolarHBondContact O-N 3.17Å; A404-G406 VanDerWaalsContact C-N 3.34Å; A404-G406 PolarHBondContact O-N 3.14Å; G406-L408 PolarHBondContact O-N 3.08Å; G406-Q409 PolarHBondContact O-N 3.27Å; G406-E410 WeakPolarHBondContact O-CG 3.31Å; G406-E410 PolarHBondContact O-N 2.98Å
407S94.3Very high87.5Confident51 Ų5171.6 Ų71.636%0.35738%0.375SS..Hα-helixtrans-62.5-39177.9-174.80000113.1L403 A404 V405 K411L403-S407 PolarHBondContact O-N 3.2Å; A404-S407 PolarHBondContact O-N 2.98Å; V405-S407 PolarHBondContact O-N 3.26Å; S407-K411 WeakPolarHBondContact O-CG 3.45Å; S407-K411 PolarHBondContact O-N 3.47Å; S407-K411 VanDerWaalsContact O-N 3.16Å
408L93.4Very high84.8Confident13 Ų1375.8 Ų75.87%0.06841%0.41CS..Hα-helixtrans-69.7-38.2177.5-67.4171.2000111.8Y194 L302 L305 V306 L309 A404 V405 G406 K411 L412Y194-L408 HydrophobicContact CE2-CD1 4.07Å; L302-L408 HydrophobicContact CD1-CB 4.19Å; L302-L408 HydrophobicContact CD1-CD2 3.53Å; L302-L408 HydrophobicContact CD1-CG 4.41Å; L305-L408 HydrophobicContact CD2-CD1 3.94Å; L305-L408 HydrophobicContact CD2-CD2 3.9Å; L305-L408 HydrophobicContact CG-CD1 3.88Å; V306-L408 HydrophobicContact CG2-CB 3.58Å; V306-L408 HydrophobicContact CG2-CD1 4.38Å; L309-L408 HydrophobicContact CD2-CD1 3.83Å; A404-L408 WeakPolarHBondContact O-CB 3.3Å; A404-L408 VanDerWaalsContact O-CG 3.23Å; A404-L408 WeakPolarHBondContact O-CG 3.37Å; A404-L408 PolarHBondContact O-N 3Å; V405-L408 PolarHBondContact O-N 3.4Å; G406-L408 PolarHBondContact O-N 3.08Å; L408-K411 PolarHBondContact O-N 3.34Å; L408-L412 WeakPolarHBondContact O-CB 3.37Å; L408-L412 PolarHBondContact O-N 2.96Å
409Q92.9Very high81.9Confident75 Ų7582.1 Ų82.135%0.3544%0.439SS..Hα-helixtrans-66.6-38.4175.6-74.1178.4-22.100112.4V306 V405 G406 L412 R413V306-Q409 HydrophobicContact CG1-CG 4.15Å; V405-Q409 HydrophobicContact CG1-CG 4.16Å; V405-Q409 WeakPolarHBondContact O-CB 3.45Å; V405-Q409 VanDerWaalsContact O-CG 3.31Å; V405-Q409 WeakPolarHBondContact O-CG 3.5Å; V405-Q409 PolarHBondContact O-N 3.48Å; G406-Q409 PolarHBondContact O-N 3.27Å; Q409-L412 PolarHBondContact O-N 3.26Å; Q409-R413 WeakPolarHBondContact O-CB 3.38Å; Q409-R413 WeakPolarHBondContact O-CG 3.49Å; Q409-R413 PolarHBondContact O-N 3.27Å
410E92.5Very high79.4Confident110 Ų11086.2 Ų86.251%0.51447%0.468SS..Hα-helixtrans-61-45.4173-75.2174.5176.800111.6G406 L412 R413 G414 F415G406-E410 WeakPolarHBondContact O-CG 3.31Å; G406-E410 PolarHBondContact O-N 2.98Å; E410-L412 VanDerWaalsContact C-N 3.33Å; E410-L412 PolarHBondContact O-N 3.11Å; E410-R413 PolarHBondContact O-N 3.49Å; E410-G414 PolarHBondContact O-N 3.05Å; E410-G414 VanDerWaalsContact O-N 3.15Å; E410-F415 PolarHBondContact O-N 2.88Å
411K89.6Confident76.6Confident116 Ų11688.5 Ų88.550%0.50448%0.484SS..Hα-helixtrans-60.8-41.7174.7-73.2175.1-176.5178.90112L302 S407 L408 R413 G414L302-K411 HydrophobicContact CD2-CB 3.88Å; S407-K411 WeakPolarHBondContact O-CG 3.45Å; S407-K411 PolarHBondContact O-N 3.47Å; S407-K411 VanDerWaalsContact O-N 3.16Å; L408-K411 PolarHBondContact O-N 3.34Å; K411-R413 VanDerWaalsContact C-N 3.32Å; K411-R413 PolarHBondContact O-N 2.95Å; K411-G414 PolarHBondContact O-N 3.22Å
412L88.4Confident73.8Confident76 Ų7695.3 Ų95.340%0.39852%0.52SS..Hα-helixtrans-66.7-34.4179.5-170.766.7000112.1L302 A303 L408 Q409 E410 G414L302-L412 HydrophobicContact CB-CD1 4.24Å; L302-L412 HydrophobicContact CD2-CB 3.86Å; L302-L412 HydrophobicContact CD2-CD1 3.95Å; L302-L412 HydrophobicContact CG-CB 4.31Å; L302-L412 HydrophobicContact CG-CD1 4.09Å; A303-L412 HydrophobicContact CB-CD2 4.48Å; L408-L412 WeakPolarHBondContact O-CB 3.37Å; L408-L412 PolarHBondContact O-N 2.96Å; Q409-L412 PolarHBondContact O-N 3.26Å; E410-L412 VanDerWaalsContact C-N 3.33Å; E410-L412 PolarHBondContact O-N 3.11Å; L412-G414 VanDerWaalsContact C-N 3.3Å
413R86.9Confident70.9Confident186 Ų18693.5 Ų93.570%0.70253%0.531SS*.Hα-helixtrans-79.5-8.6176.1-69.8176.5-176.8-177.30.5113.8Q409 E410 K411 F415Q409-R413 WeakPolarHBondContact O-CB 3.38Å; Q409-R413 WeakPolarHBondContact O-CG 3.49Å; Q409-R413 PolarHBondContact O-N 3.27Å; E410-R413 PolarHBondContact O-N 3.49Å; K411-R413 VanDerWaalsContact C-N 3.32Å; K411-R413 PolarHBondContact O-N 2.95Å; R413-F415 HydrophobicContact CB-CD2 3.69Å; R413-F415 HydrophobicContact CB-CE2 3.73Å; R413-F415 HydrophobicContact CG-CE2 4.47Å
414G77.7Confident68.1Low61 Ų6193.3 Ų93.363%0.62954%0.538SS*.THydrogen-bonded Turntrans75.523.3178.500000114.9E410 K411 L412E410-G414 PolarHBondContact O-N 3.05Å; E410-G414 VanDerWaalsContact O-N 3.15Å; K411-G414 PolarHBondContact O-N 3.22Å; L412-G414 VanDerWaalsContact C-N 3.3Å
415F55.3Low65.3Low134 Ų134101.8 Ų101.859%0.58858%0.576SS**  trans-67.7127173-75.7-80.8000109.9E410 R413 V417E410-F415 PolarHBondContact O-N 2.88Å; R413-F415 HydrophobicContact CB-CD2 3.69Å; R413-F415 HydrophobicContact CB-CE2 3.73Å; R413-F415 HydrophobicContact CG-CE2 4.47Å; F415-V417 PolarHBondContact O-N 3.22Å
416P49.3Very low62.5Low120 Ų120113 Ų11378%0.77962%0.617SS**  trans-65.6119.5175.724.7-30.7000109.2A418P416-A418 PolarHBondContact O-N 2.98Å; P416-A418 VanDerWaalsContact O-N 3.14Å
417V46.8Very low59.6Low110 Ų110117.1 Ų117.167%0.66764%0.642SS**  trans-60.7115.1166.2177.90000106.3F415 Q419F415-V417 PolarHBondContact O-N 3.22Å; V417-Q419 PolarHBondContact O-N 2.99Å
418A39.8Very low57.5Low93 Ų93120.1 Ų120.177%0.76966%0.66SS**  trans-56.1108.7177.500000109.1P416P416-A418 PolarHBondContact O-N 2.98Å; P416-A418 VanDerWaalsContact O-N 3.14Å
419Q38.1Very low54.8Low143 Ų143129.3 Ų129.367%0.66870%0.703SS**  trans-72.4139169.9-71.3-163.5-0.300108.4V417 N421V417-Q419 PolarHBondContact O-N 2.99Å; Q419-N421 PolarHBondContact O-N 3.08Å
420P44.6Very low52Low133 Ų133128.9 Ų128.986%0.86472%0.719SS**THydrogen-bonded Turntrans-65.7-2-178.7-18.130.3000115.1
421N39.5Very low49.3Very low142 Ų142133.1 Ų133.176%0.75974%0.739SS**THydrogen-bonded Turntrans-111-2.3-168-85.1-1.4000116.3Q419 A423Q419-N421 PolarHBondContact O-N 3.08Å; N421-A423 VanDerWaalsContact C-N 3.31Å; N421-A423 PolarHBondContact O-N 2.81Å; N421-A423 VanDerWaalsContact O-N 3.17Å
422D38.5Very low46.8Very low143 Ų143136.6 Ų136.677%0.76576%0.756SS**  trans-92.368.7173.7-74-27.2000110.8
423A38.1Very low44.5Very low85 Ų85139.2 Ų139.270%0.70278%0.778SS**  trans-73.5125.4155.100000107.6N421 Q425N421-A423 VanDerWaalsContact C-N 3.31Å; N421-A423 PolarHBondContact O-N 2.81Å; N421-A423 VanDerWaalsContact O-N 3.17Å; A423-Q425 PolarHBondContact O-N 3.29Å
424P37.4Very low42Very low124 Ų124136 Ų13681%0.80578%0.784SS**  trans-67.1115177.99.9-5000109.2R426P424-R426 PolarHBondContact O-N 3.24Å
425Q37.4Very low40.1Very low189 Ų189137.2 Ų137.288%0.88379%0.788SS**  trans-55.8106.9162.8-101.7176.6-28.900108.3A423 S427A423-Q425 PolarHBondContact O-N 3.29Å; Q425-S427 PolarHBondContact O-N 2.98Å
426R37.4Very low39.3Very low242 Ų242139.5 Ų139.591%0.91381%0.806SS**  trans-71.9112164.4-90.1-176.2174.3178.3-1.4108.4P424P424-R426 PolarHBondContact O-N 3.24Å
427S32.8Very low38.8Very low113 Ų113141 Ų14179%0.7981%0.807SS**  trans-70.9140.9163.7-43.80000110Q425Q425-S427 PolarHBondContact O-N 2.98Å
428P50.2Low39Very low114 Ų114140.8 Ų140.874%0.7481%0.808SS**  trans-93.4131.9175.434.1-27000110.5
429E36.9Very low38.9Very low206 Ų206145.1 Ų145.196%0.96381%0.812SS**  trans161133.6156.1-92.9164.2-162.500107.6
430G35.4Very low38.7Very low67 Ų67151.4 Ų151.469%0.69184%0.842SS**  cis177.2-178.14.200000110.8
431Q35Very low38.4Very low199 Ų199152.4 Ų152.493%0.9384%0.841SS**  trans80.4107.3155.9-71.6168.8-22.400120.1
432Q37.3Very low38.4Very low188 Ų188152.9 Ų152.988%0.87985%0.845SS**PPolyproline II helixtrans-64.2147156.5-78.1176.6-36.200111.3
433P40Very low38.4Very low132 Ų132153.4 Ų153.486%0.85785%0.849SS**PPolyproline II helixtrans-89.3135.8171.333.6-29.4000111.6
434S33.8Very low38.4Very low118 Ų118157.5 Ų157.583%0.82586%0.858SS**PPolyproline II helixtrans-103.3121.2171.7175.80000110.8
435A38.4Very low38.5Very low87 Ų87159.6 Ų159.672%0.71986%0.861SS**  trans43.8114.7145.300000120.4
436L37.7Very low38.5Very low181 Ų181157.6 Ų157.695%0.94886%0.86SS**  trans-134.5109.4142.2-82.4165.2000107.8
437D38.7Very low38.6Very low152 Ų152151.6 Ų151.681%0.81386%0.856SS**  trans-91.4173.9160.2-101.4-17.7000108
438P52.2Low39.1Very low105 Ų105154.5 Ų154.568%0.68286%0.861SS**  -131.1-165.6-54.734.2-13.4000110.4
439E36.9Very low38.1Very low185 Ų185157.9 Ų157.986%0.86487%0.871SS**  trans114.6126.9156.4-61.9-165.1150.600118.5
440E35.1Very low38.2Very low275 Ų275153.5 Ų153.5100%1.28586%0.863SS**  trans730171.7-65.3-166.7153.200120.8

Retrieved 440 of 440 residues in 897.9 ms (Link to these results)

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