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Tyrosine--tRNA ligase

Catalyzes the attachment of tyrosine to tRNA(Tyr) in a two-step reaction: tyrosine is first activated by ATP to form Tyr-AMP and then transferred to the acceptor end of tRNA(Tyr).

AlphaFold DB (Q2FXJ5), UniProt , Accession Q99TD5, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene tyrS, Length 420 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
1M63.2Low92.6Very high222 Ų22263.5 Ų63.5100%1.09432%0.32SS*.  0130.80-81.2-176.6-97.100105.5N29M1-N29 PolarHBondContact O-ND2 3.39Å
2T85.2Confident93Very high72 Ų7259.3 Ų59.344%0.44230%0.298SS..  trans-63139.2178.2-30.70000109.3E7 E25T2-E7 WeakPolarHBondContact CB-OE1 3.5Å; T2-E7 HydrophobicContact CG2-CG 3.41Å; T2-E7 VanDerWaalsContact CG2-CG 3.41Å; T2-E7 VanDerWaalsContact CG2-OE1 3.29Å; T2-E7 WeakPolarHBondContact CG2-OE1 3.36Å; T2-E7 PolarHBondContact OG1-OE1 3.07Å; T2-E7 VanDerWaalsContact OG1-OE1 3.07Å; T2-E25 WeakPolarHBondContact CA-OE1 3.37Å; T2-E25 WeakPolarHBondContact CG2-OE1 3.49Å
3N94.9Very high93.3Very high17 Ų1757.3 Ų57.39%0.09130%0.301CS..  trans-73.5128.8177.1-174.1-80.6000110.4L5 I6 E7 E25 N29N3-L5 VanDerWaalsContact C-N 3.29Å; N3-L5 PolarHBondContact O-N 3.08Å; N3-L5 WeakPolarHBondContact OD1-CB 3.36Å; N3-L5 PolarHBondContact OD1-N 3.09Å; N3-L5 VanDerWaalsContact OD1-N 3.09Å; N3-I6 HydrophobicContact CB-CB 4.26Å; N3-I6 HydrophobicContact CB-CG1 4.06Å; N3-I6 PolarHBondContact O-N 3.27Å; N3-I6 VanDerWaalsContact O-N 3.07Å; N3-E7 PolarHBondContact O-N 3.07Å; N3-E25 HydrophobicContact CB-CG 4.13Å; N3-E25 PolarHBondContact N-OE1 2.66Å; N3-N29 WeakPolarHBondContact CB-OD1 3.41Å; N3-N29 PolarHBondContact ND2-OD1 3.46Å
4V95.7Very high93.6Very high101 Ų10153.3 Ų53.361%0.61228%0.28SS*.Hα-helixtrans-57.6-39.5-175.3176.90000112.4E7 D8V4-E7 PolarHBondContact O-N 2.88Å; V4-D8 PolarHBondContact O-N 3.38Å
5L96.9Very high93.8Very high0 Ų052.3 Ų52.30%027%0.274CS..Hα-helixtrans-65.7-42177.8172.962.3000111.3N3 E7 D8 L9 R59 F60 H63N3-L5 VanDerWaalsContact C-N 3.29Å; N3-L5 PolarHBondContact O-N 3.08Å; N3-L5 WeakPolarHBondContact OD1-CB 3.36Å; N3-L5 PolarHBondContact OD1-N 3.09Å; N3-L5 VanDerWaalsContact OD1-N 3.09Å; L5-E7 VanDerWaalsContact C-N 3.32Å; L5-E7 PolarHBondContact O-N 2.82Å; L5-D8 PolarHBondContact O-N 2.8Å; L5-L9 HydrophobicContact CD1-CD1 4.07Å; L5-L9 HydrophobicContact CD1-CD2 4.36Å; L5-L9 HydrophobicContact CD1-CG 3.93Å; L5-L9 HydrophobicContact CG-CD1 4.07Å; L5-L9 HydrophobicContact CG-CG 4.32Å; L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.24Å; L5-L9 PolarHBondContact O-N 3.37Å; L5-R59 HydrophobicContact CD1-CB 4.14Å; L5-F60 HydrophobicContact CD2-CB 4.34Å; L5-F60 HydrophobicContact CD2-CD1 3.41Å; L5-F60 VanDerWaalsContact CD2-CD1 3.41Å; L5-F60 HydrophobicContact CD2-CD2 4.14Å; L5-F60 HydrophobicContact CD2-CE1 3.61Å; L5-F60 HydrophobicContact CD2-CE2 4.31Å; L5-F60 HydrophobicContact CD2-CG 3.69Å; L5-F60 HydrophobicContact CD2-CZ 4.05Å; L5-H63 HydrophobicContact CB-CB 4.28Å; L5-H63 HydrophobicContact CD2-CB 4.18Å
6I96.7Very high94Very high5 Ų557.4 Ų57.43%0.02629%0.29CS..Hα-helixtrans-63.9-40.2177.9-65.8-60.9000110.9N3 L9 K10 I24 L28N3-I6 HydrophobicContact CB-CB 4.26Å; N3-I6 HydrophobicContact CB-CG1 4.06Å; N3-I6 PolarHBondContact O-N 3.27Å; N3-I6 VanDerWaalsContact O-N 3.07Å; I6-L9 PolarHBondContact O-N 2.96Å; I6-K10 HydrophobicContact CG2-CD 4.04Å; I6-K10 HydrophobicContact CG2-CG 4.47Å; I6-K10 WeakPolarHBondContact O-CB 3.19Å; I6-K10 VanDerWaalsContact O-CG 3.28Å; I6-K10 WeakPolarHBondContact O-CG 3.15Å; I6-K10 PolarHBondContact O-N 3.11Å; I6-I24 HydrophobicContact CD1-CG2 4.15Å; I6-L28 HydrophobicContact CD1-CD1 3.56Å; I6-L28 HydrophobicContact CG1-CD1 3.72Å
7E96.4Very high94.2Very high99 Ų9957.9 Ų57.946%0.46329%0.291SS..Hα-helixtrans-62.5-43.9174.2-67.7-169.9154.700112.1T2 N3 V4 L5 K10 W11T2-E7 WeakPolarHBondContact CB-OE1 3.5Å; T2-E7 HydrophobicContact CG2-CG 3.41Å; T2-E7 VanDerWaalsContact CG2-CG 3.41Å; T2-E7 VanDerWaalsContact CG2-OE1 3.29Å; T2-E7 WeakPolarHBondContact CG2-OE1 3.36Å; T2-E7 PolarHBondContact OG1-OE1 3.07Å; T2-E7 VanDerWaalsContact OG1-OE1 3.07Å; N3-E7 PolarHBondContact O-N 3.07Å; V4-E7 PolarHBondContact O-N 2.88Å; L5-E7 VanDerWaalsContact C-N 3.32Å; L5-E7 PolarHBondContact O-N 2.82Å; E7-K10 PolarHBondContact O-N 2.91Å; E7-W11 WeakPolarHBondContact O-CB 3.44Å; E7-W11 PolarHBondContact O-N 3.19Å
8D97.3Very high94.3Very high34 Ų3456.7 Ų56.718%0.18228%0.284CS..Hα-helixtrans-62-48.1176.5179.771.7000111.5V4 L5 K10 W11 R12V4-D8 PolarHBondContact O-N 3.38Å; L5-D8 PolarHBondContact O-N 2.8Å; D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 3.23Å; D8-W11 PolarHBondContact O-N 2.85Å; D8-R12 WeakPolarHBondContact O-CB 3.27Å; D8-R12 VanDerWaalsContact O-CG 3.28Å; D8-R12 WeakPolarHBondContact O-CG 3.43Å; D8-R12 PolarHBondContact O-N 3.08Å; D8-R12 IonicContact OD1-CZ 3.93Å; D8-R12 IonicContact OD1-NE 2.55Å; D8-R12 PolarHBondContact OD1-NE 2.6Å; D8-R12 IonicContact OD1-NH2 2.69Å; D8-R12 PolarHBondContact OD1-NH2 2.64Å; D8-R12 WeakPolarHBondContact OD2-CD 3.41Å; D8-R12 IonicContact OD2-CZ 2.68Å; D8-R12 IonicContact OD2-NE 3.3Å; D8-R12 PolarHBondContact OD2-NE 2.84Å; D8-R12 IonicContact OD2-NH2 2.97Å
9L97.6Very high94.4Very high1 Ų155.4 Ų55.41%0.00528%0.28CS..Hα-helixtrans-62.2-39.7178.2-67.3177.9000112.1L5 I6 G13 L14 I15 T56 F60L5-L9 HydrophobicContact CD1-CD1 4.07Å; L5-L9 HydrophobicContact CD1-CD2 4.36Å; L5-L9 HydrophobicContact CD1-CG 3.93Å; L5-L9 HydrophobicContact CG-CD1 4.07Å; L5-L9 HydrophobicContact CG-CG 4.32Å; L5-L9 WeakPolarHBondContact O-CB 3.39Å; L5-L9 VanDerWaalsContact O-CG 3.28Å; L5-L9 WeakPolarHBondContact O-CG 3.24Å; L5-L9 PolarHBondContact O-N 3.37Å; I6-L9 PolarHBondContact O-N 2.96Å; L9-G13 PolarHBondContact O-N 2.89Å; L9-G13 VanDerWaalsContact O-N 3.15Å; L9-L14 HydrophobicContact CB-CB 4.48Å; L9-L14 HydrophobicContact CD2-CB 4.09Å; L9-L14 HydrophobicContact CD2-CD1 3.83Å; L9-L14 PolarHBondContact O-N 2.92Å; L9-I15 HydrophobicContact CB-CD1 4.02Å; L9-I15 HydrophobicContact CB-CG1 3.86Å; L9-T56 HydrophobicContact CD2-CG2 4.25Å; L9-F60 HydrophobicContact CD1-CE2 3.69Å; L9-F60 HydrophobicContact CD1-CZ 3.93Å
10K97Very high94.5Very high88 Ų8857.7 Ų57.738%0.38329%0.293SS..Hα-helixtrans-64.6-47.8174.1-76175.4177.3174.20111.5I6 E7 D8 R12 G13 I15 E21I6-K10 HydrophobicContact CG2-CD 4.04Å; I6-K10 HydrophobicContact CG2-CG 4.47Å; I6-K10 WeakPolarHBondContact O-CB 3.19Å; I6-K10 VanDerWaalsContact O-CG 3.28Å; I6-K10 WeakPolarHBondContact O-CG 3.15Å; I6-K10 PolarHBondContact O-N 3.11Å; E7-K10 PolarHBondContact O-N 2.91Å; D8-K10 VanDerWaalsContact C-N 3.34Å; D8-K10 PolarHBondContact O-N 3.23Å; K10-R12 VanDerWaalsContact C-N 3.31Å; K10-R12 PolarHBondContact O-N 3.26Å; K10-G13 PolarHBondContact O-N 2.95Å; K10-I15 HydrophobicContact CG-CD1 3.84Å; K10-E21 VanDerWaalsContact CE-OE1 3.31Å; K10-E21 WeakPolarHBondContact CE-OE1 3.31Å; K10-E21 IonicContact NZ-OE1 3.94Å; K10-E21 PolarHBondContact NZ-OE1 2.65Å
11W97.4Very high94.5Very high60 Ų6059.3 Ų59.323%0.22730%0.299CS..Hα-helixtrans-62.9-37.5179.6169.876.2000112.5E7 D8 G13 K269 K276 I279E7-W11 WeakPolarHBondContact O-CB 3.44Å; E7-W11 PolarHBondContact O-N 3.19Å; D8-W11 PolarHBondContact O-N 2.85Å; W11-G13 PolarHBondContact O-N 2.96Å; W11-K269 HydrophobicContact CH2-CG 4.09Å; W11-K269 HydrophobicContact CZ2-CD 4.41Å; W11-K269 HydrophobicContact CZ2-CG 4.42Å; W11-K269 HydrophobicContact CZ3-CG 4.4Å; W11-K276 HydrophobicContact CD2-CD 4.37Å; W11-K276 HydrophobicContact CD2-CG 4.43Å; W11-K276 HydrophobicContact CH2-CB 3.95Å; W11-K276 HydrophobicContact CH2-CG 4.22Å; W11-K276 HydrophobicContact CZ2-CB 3.85Å; W11-K276 HydrophobicContact CZ2-CD 4.34Å; W11-K276 HydrophobicContact CZ2-CG 3.59Å; W11-K276 HydrophobicContact CZ3-CB 4.35Å; W11-I279 HydrophobicContact CH2-CB 3.91Å; W11-I279 HydrophobicContact CH2-CD1 3.63Å; W11-I279 HydrophobicContact CH2-CG1 4.28Å; W11-I279 HydrophobicContact CH2-CG2 4.04Å; W11-I279 HydrophobicContact CZ2-CB 4.26Å; W11-I279 HydrophobicContact CZ2-CG2 4.1Å; W11-I279 HydrophobicContact CZ3-CD1 4.21Å
12R97.7Very high96Very high13 Ų1353.6 Ų53.65%0.04927%0.27CS..Hα-helixtrans-70.1-19.8173.7-69.3175.9-172-76-12.3112.9D8 K10 L14 K269 Y270 T272 L274D8-R12 WeakPolarHBondContact O-CB 3.27Å; D8-R12 VanDerWaalsContact O-CG 3.28Å; D8-R12 WeakPolarHBondContact O-CG 3.43Å; D8-R12 PolarHBondContact O-N 3.08Å; D8-R12 IonicContact OD1-CZ 3.93Å; D8-R12 IonicContact OD1-NE 2.55Å; D8-R12 PolarHBondContact OD1-NE 2.6Å; D8-R12 IonicContact OD1-NH2 2.69Å; D8-R12 PolarHBondContact OD1-NH2 2.64Å; D8-R12 WeakPolarHBondContact OD2-CD 3.41Å; D8-R12 IonicContact OD2-CZ 2.68Å; D8-R12 IonicContact OD2-NE 3.3Å; D8-R12 PolarHBondContact OD2-NE 2.84Å; D8-R12 IonicContact OD2-NH2 2.97Å; K10-R12 VanDerWaalsContact C-N 3.31Å; K10-R12 PolarHBondContact O-N 3.26Å; R12-L14 HydrophobicContact CB-CD1 3.81Å; R12-L14 HydrophobicContact CB-CG 3.79Å; R12-L14 HydrophobicContact CG-CD1 4.45Å; R12-K269 HydrophobicContact CB-CB 4.21Å; R12-K269 WeakPolarHBondContact CD-O 3.26Å; R12-K269 HydrophobicContact CG-CB 4.24Å; R12-K269 PolarHBondContact NH1-O 3.12Å; R12-K269 VanDerWaalsContact NH1-O 3.09Å; R12-Y270 WeakPolarHBondContact O-CD1 3.45Å; R12-Y270 WeakPolarHBondContact O-CE1 3.38Å; R12-T272 PolarHBondContact NH1-O 2.92Å; R12-L274 PolarHBondContact NH1-O 2.81Å; R12-L274 PolarHBondContact NH2-O 3.36Å
13G97Very high96.5Very high33 Ų3350.6 Ų50.634%0.3425%0.253SS..THydrogen-bonded Turntrans75.334.8-173.500000112.8L9 K10 W11 P222 Y270L9-G13 PolarHBondContact O-N 2.89Å; L9-G13 VanDerWaalsContact O-N 3.15Å; K10-G13 PolarHBondContact O-N 2.95Å; W11-G13 PolarHBondContact O-N 2.96Å; G13-P222 WeakPolarHBondContact O-CG 3.44Å; G13-Y270 WeakPolarHBondContact O-CE1 3.35Å; G13-Y270 PolarHBondContact O-OH 3.09Å
14L97.6Very high96.6Very high1 Ų150 Ų501%0.00525%0.249CC..  trans-96.2-3.6-178-68.5174.5000113.9L9 R12 L52 I221 Y270L9-L14 HydrophobicContact CB-CB 4.48Å; L9-L14 HydrophobicContact CD2-CB 4.09Å; L9-L14 HydrophobicContact CD2-CD1 3.83Å; L9-L14 PolarHBondContact O-N 2.92Å; R12-L14 HydrophobicContact CB-CD1 3.81Å; R12-L14 HydrophobicContact CB-CG 3.79Å; R12-L14 HydrophobicContact CG-CD1 4.45Å; L14-L52 HydrophobicContact CD2-CD1 3.77Å; L14-L52 HydrophobicContact CD2-CD2 3.89Å; L14-L52 HydrophobicContact CD2-CG 3.99Å; L14-I221 WeakPolarHBondContact O-CA 3.3Å; L14-I221 WeakPolarHBondContact O-CB 3.42Å; L14-I221 VanDerWaalsContact O-CG2 3.32Å; L14-I221 WeakPolarHBondContact O-CG2 3.24Å; L14-Y270 HydrophobicContact CD2-CD1 3.6Å; L14-Y270 HydrophobicContact CD2-CE1 3.89Å; L14-Y270 HydrophobicContact CD2-CG 4.12Å; L14-Y270 HydrophobicContact CG-CD1 4.26Å; L14-Y270 HydrophobicContact CG-CE1 4.46Å
15I97.1Very high96.7Very high38 Ų3846.2 Ų46.220%0.19523%0.225CC..  trans-100.6113.7173.8-54.8-170.9000108.6L9 K10 Q18 L219L9-I15 HydrophobicContact CB-CD1 4.02Å; L9-I15 HydrophobicContact CB-CG1 3.86Å; K10-I15 HydrophobicContact CG-CD1 3.84Å; I15-Q18 HydrophobicContact CG2-CG 4.39Å; I15-L219 HydrophobicContact CB-CD1 4.49Å; I15-L219 HydrophobicContact CD1-CD1 4.44Å; I15-L219 HydrophobicContact CG1-CD1 4.2Å; I15-L219 HydrophobicContact CG2-CD1 3.93Å
16Y96.7Very high96.6Very high135 Ų13550.5 Ų50.553%0.52925%0.248SC..SBendtrans-99.3-52.9174.9-178.3-107.4000112.1S194 T220 P222Y16-S194 VanDerWaalsContact CE1-CB 3.48Å; Y16-T220 WeakPolarHBondContact CA-O 3.44Å; Y16-T220 WeakPolarHBondContact CB-O 3.47Å; Y16-T220 PolarHBondContact N-O 2.85Å; Y16-P222 HydrophobicContact CD2-CB 4.32Å
17Q96.7Very high96.6Very high66 Ų6650.9 Ų50.931%0.30825%0.25SS..EExtended strand (participates in β ladder)trans-140.6150173.5-62.6172.4-79.700108.6W197 T220Q17-W197 HydrophobicContact CB-CD2 4.17Å; Q17-W197 HydrophobicContact CB-CE3 3.75Å; Q17-W197 HydrophobicContact CB-CH2 4.11Å; Q17-W197 HydrophobicContact CB-CZ2 4.49Å; Q17-W197 HydrophobicContact CB-CZ3 3.72Å; Q17-T220 WeakPolarHBondContact CB-OG1 3.32Å; Q17-T220 PolarHBondContact N-O 2.71Å; Q17-T220 PolarHBondContact N-OG1 3.23Å; Q17-T220 PolarHBondContact O-N 2.64Å; Q17-T220 PolarHBondContact O-OG1 3Å
18Q96.9Very high96.6Very high35 Ų3546.6 Ų46.616%0.16423%0.23CC..EExtended strand (participates in β ladder)trans-150.3148.9173.965-167.82.800111I15 E21 I24 G218 L219I15-Q18 HydrophobicContact CG2-CG 4.39Å; Q18-E21 HydrophobicContact CG-CB 4.28Å; Q18-E21 PolarHBondContact NE2-OE2 2.98Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.13Å; Q18-I24 HydrophobicContact CB-CD1 3.95Å; Q18-G218 CarbonylContact C-O 3.56Å; Q18-G218 VanDerWaalsContact CA-O 3.22Å; Q18-G218 WeakPolarHBondContact CA-O 3.46Å; Q18-L219 HydrophobicContact CB-CD1 3.83Å
19T96.5Very high96.6Very high32 Ų3248.9 Ų48.920%0.19624%0.243CC..SBendtrans-83.5134169.757.70000109.2I24 W197 I204 Y217 G218T19-I24 WeakPolarHBondContact O-CD1 3.37Å; T19-W197 HydrophobicContact CG2-CH2 3.66Å; T19-W197 HydrophobicContact CG2-CZ2 4.38Å; T19-W197 HydrophobicContact CG2-CZ3 4.32Å; T19-I204 HydrophobicContact CG2-CD1 3.82Å; T19-Y217 VanDerWaalsContact OG1-CA 3.26Å; T19-Y217 WeakPolarHBondContact OG1-CA 3.45Å; T19-Y217 WeakPolarHBondContact OG1-CB 3.38Å; T19-G218 PolarHBondContact N-O 3.19Å; T19-G218 PolarHBondContact OG1-N 2.8Å; T19-G218 PolarHBondContact OG1-O 2.88Å
20D95.2Very high96.5Very high102 Ų10256.4 Ų56.455%0.54528%0.275SS..  trans42.374.9173.2-170.63.7000113.6Q22 G23 I24 Y217D20-Q22 PolarHBondContact O-N 3.1Å; D20-G23 PolarHBondContact O-N 3.49Å; D20-G23 PolarHBondContact OD1-N 3.2Å; D20-I24 PolarHBondContact O-N 3.01Å; D20-Y217 HydrophobicContact CB-CD1 4.18Å; D20-Y217 HydrophobicContact CB-CE1 3.92Å
21E95.1Very high96.3Very high92 Ų9255 Ų5543%0.4327%0.27SS..Hα-helixtrans-49.3-44.2-179.5172.8160-178.600113.4K10 Q18 I24 E25K10-E21 VanDerWaalsContact CE-OE1 3.31Å; K10-E21 WeakPolarHBondContact CE-OE1 3.31Å; K10-E21 IonicContact NZ-OE1 3.94Å; K10-E21 PolarHBondContact NZ-OE1 2.65Å; Q18-E21 HydrophobicContact CG-CB 4.28Å; Q18-E21 PolarHBondContact NE2-OE2 2.98Å; Q18-E21 VanDerWaalsContact NE2-OE2 3.13Å; E21-I24 PolarHBondContact O-N 2.99Å; E21-E25 PolarHBondContact O-N 3.49Å; E21-E25 VanDerWaalsContact O-N 3.11Å
22Q95.2Very high96.3Very high102 Ų10256.7 Ų56.748%0.47728%0.281SS..Hα-helixtrans-68.8-41.9179.9-169.162.659.500110.9D20 I24 E25 D26D20-Q22 PolarHBondContact O-N 3.1Å; Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 3.03Å; Q22-E25 PolarHBondContact O-N 2.67Å; Q22-D26 PolarHBondContact NE2-OD1 3.25Å; Q22-D26 WeakPolarHBondContact O-CB 3.34Å; Q22-D26 VanDerWaalsContact O-CG 3.22Å; Q22-D26 PolarHBondContact O-N 3.37Å
23G95.8Very high96.2Very high8 Ų856.1 Ų56.18%0.08228%0.279CS..Hα-helixtrans-60.1-39.9176.400000113.3D20 L27D20-G23 PolarHBondContact O-N 3.49Å; D20-G23 PolarHBondContact OD1-N 3.2Å; G23-L27 VanDerWaalsContact O-CB 3.26Å; G23-L27 WeakPolarHBondContact O-CB 3.39Å; G23-L27 PolarHBondContact O-N 3.27Å
24I96.7Very high96.3Very high4 Ų454.8 Ų54.82%0.02126%0.264CS..Hα-helixtrans-64.1-47.9174-67.8175.5000110.7I6 Q18 T19 D20 E21 Q22 L27 L28 I189 Y217I6-I24 HydrophobicContact CD1-CG2 4.15Å; Q18-I24 HydrophobicContact CB-CD1 3.95Å; T19-I24 WeakPolarHBondContact O-CD1 3.37Å; D20-I24 PolarHBondContact O-N 3.01Å; E21-I24 PolarHBondContact O-N 2.99Å; Q22-I24 VanDerWaalsContact C-N 3.33Å; Q22-I24 PolarHBondContact O-N 3.03Å; I24-L27 PolarHBondContact O-N 3.04Å; I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.33Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 2.77Å; I24-I189 HydrophobicContact CG2-CD1 4.25Å; I24-Y217 HydrophobicContact CD1-CD1 4.48Å; I24-Y217 HydrophobicContact CD1-CG 4.4Å; I24-Y217 HydrophobicContact CG1-CD1 3.68Å; I24-Y217 HydrophobicContact CG1-CD2 4.31Å; I24-Y217 HydrophobicContact CG1-CE1 4.42Å; I24-Y217 HydrophobicContact CG1-CG 3.62Å
25E96.3Very high96.3Very high23 Ų2354.7 Ų54.711%0.10726%0.263CS..Hα-helixtrans-63-43.9-179.4177.9163.4-128.900112.3T2 N3 E21 Q22 L27 L28 N29T2-E25 WeakPolarHBondContact CA-OE1 3.37Å; T2-E25 WeakPolarHBondContact CG2-OE1 3.49Å; N3-E25 HydrophobicContact CB-CG 4.13Å; N3-E25 PolarHBondContact N-OE1 2.66Å; E21-E25 PolarHBondContact O-N 3.49Å; E21-E25 VanDerWaalsContact O-N 3.11Å; Q22-E25 PolarHBondContact O-N 2.67Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 2.72Å; E25-L28 PolarHBondContact O-N 2.86Å; E25-N29 WeakPolarHBondContact O-CB 3.36Å; E25-N29 PolarHBondContact O-N 3.01Å; E25-N29 PolarHBondContact O-ND2 2.86Å
26D96.3Very high96.4Very high90 Ų9053 Ų5348%0.48125%0.254SS..Hα-helixtrans-62.2-40.4176.8-70.8-8.4000111Q22 K30Q22-D26 PolarHBondContact NE2-OD1 3.25Å; Q22-D26 WeakPolarHBondContact O-CB 3.34Å; Q22-D26 VanDerWaalsContact O-CG 3.22Å; Q22-D26 PolarHBondContact O-N 3.37Å; D26-K30 VanDerWaalsContact O-CB 3.24Å; D26-K30 WeakPolarHBondContact O-CB 3.39Å; D26-K30 PolarHBondContact O-N 3.13Å; D26-K30 VanDerWaalsContact O-N 3.16Å
27L96.2Very high96.5Very high12 Ų1246.8 Ų46.86%0.06323%0.231CC..Hα-helixtrans-63.1-48.8176.9-178.969.4000111.7G23 I24 E25 N29 K30 E31 V33 K188 I189 Y217G23-L27 VanDerWaalsContact O-CB 3.26Å; G23-L27 WeakPolarHBondContact O-CB 3.39Å; G23-L27 PolarHBondContact O-N 3.27Å; I24-L27 PolarHBondContact O-N 3.04Å; E25-L27 VanDerWaalsContact C-N 3.31Å; E25-L27 PolarHBondContact O-N 2.72Å; L27-N29 VanDerWaalsContact C-N 3.28Å; L27-N29 PolarHBondContact O-N 3.39Å; L27-K30 PolarHBondContact O-N 3.44Å; L27-K30 VanDerWaalsContact O-N 3.1Å; L27-E31 HydrophobicContact CD1-CG 4.02Å; L27-E31 WeakPolarHBondContact CD1-OE1 3.24Å; L27-E31 PolarHBondContact O-N 3.17Å; L27-V33 HydrophobicContact CD1-CG2 4.34Å; L27-V33 HydrophobicContact CD2-CG1 3.93Å; L27-V33 HydrophobicContact CD2-CG2 3.83Å; L27-V33 HydrophobicContact CG-CG2 3.59Å; L27-K188 HydrophobicContact CD1-CD 3.81Å; L27-K188 HydrophobicContact CD2-CB 3.9Å; L27-K188 HydrophobicContact CD2-CD 3.92Å; L27-K188 HydrophobicContact CG-CD 4.49Å; L27-I189 HydrophobicContact CD2-CD1 4.36Å; L27-I189 HydrophobicContact CD2-CG1 4.37Å; L27-Y217 HydrophobicContact CD2-CD2 3.98Å; L27-Y217 HydrophobicContact CD2-CE2 3.86Å
28L96.8Very high96.4Very high9 Ų945.3 Ų45.35%0.04723%0.234CC..Hα-helixtrans-66.6-29.2-178.6-65.8170000112.9I6 I24 E25 V33 F60 H65 I189I6-L28 HydrophobicContact CD1-CD1 3.56Å; I6-L28 HydrophobicContact CG1-CD1 3.72Å; I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.33Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.39Å; I24-L28 PolarHBondContact O-N 2.77Å; E25-L28 PolarHBondContact O-N 2.86Å; L28-V33 HydrophobicContact CD2-CB 4.03Å; L28-V33 HydrophobicContact CD2-CG2 3.7Å; L28-V33 HydrophobicContact CG-CG2 4.49Å; L28-F60 HydrophobicContact CD1-CE1 4.17Å; L28-F60 HydrophobicContact CD2-CD1 4.18Å; L28-F60 HydrophobicContact CD2-CE1 3.79Å; L28-H65 WeakPolarHBondContact CD2-NE2 3.39Å; L28-I189 HydrophobicContact CD2-CD1 4.33Å
29N96.1Very high96.3Very high82 Ų8244.3 Ų44.344%0.43923%0.231SC..Hα-helixtrans-77.2-21.4173.8-76.2-38.4000113.4M1 N3 E25 L27M1-N29 PolarHBondContact O-ND2 3.39Å; N3-N29 WeakPolarHBondContact CB-OD1 3.41Å; N3-N29 PolarHBondContact ND2-OD1 3.46Å; E25-N29 WeakPolarHBondContact O-CB 3.36Å; E25-N29 PolarHBondContact O-N 3.01Å; E25-N29 PolarHBondContact O-ND2 2.86Å; L27-N29 VanDerWaalsContact C-N 3.28Å; L27-N29 PolarHBondContact O-N 3.39Å
30K95.4Very high96.2Very high159 Ų15943.9 Ų43.969%0.69123%0.228SC*.Hα-helixtrans-90.3-41.5-172.8-179.9-172.3170.6-161.80112.9D26 L27D26-K30 VanDerWaalsContact O-CB 3.24Å; D26-K30 WeakPolarHBondContact O-CB 3.39Å; D26-K30 PolarHBondContact O-N 3.13Å; D26-K30 VanDerWaalsContact O-N 3.16Å; L27-K30 PolarHBondContact O-N 3.44Å; L27-K30 VanDerWaalsContact O-N 3.1Å
31E94.6Very high96.1Very high60 Ų6039 Ų3928%0.2820%0.202SC..SBendtrans-152.2165-168.362.3-171-146.700113.3L27 V33 K188L27-E31 HydrophobicContact CD1-CG 4.02Å; L27-E31 WeakPolarHBondContact CD1-OE1 3.24Å; L27-E31 PolarHBondContact O-N 3.17Å; E31-V33 HydrophobicContact CG-CG2 4.48Å; E31-V33 PolarHBondContact O-N 3Å; E31-K188 WeakPolarHBondContact OE1-CE 3.47Å; E31-K188 IonicContact OE1-NZ 3.96Å; E31-K188 PolarHBondContact OE1-NZ 3.49Å
32Q95.7Very high95.9Very high95 Ų9537.4 Ų37.444%0.44420%0.198SC..  trans-66.2112.9165.1175.4179.563.300109.3G64Q32-G64 VanDerWaalsContact CG-O 3.29Å; Q32-G64 WeakPolarHBondContact CG-O 3.47Å; Q32-G64 PolarHBondContact NE2-O 2.84Å
33V97.1Very high95.8Very high1 Ų133.4 Ų33.41%0.00618%0.182CC..  trans-87.7137.9179.5-177.20000111.2L27 L28 E31 H65 R66 K188 I189L27-V33 HydrophobicContact CD1-CG2 4.34Å; L27-V33 HydrophobicContact CD2-CG1 3.93Å; L27-V33 HydrophobicContact CD2-CG2 3.83Å; L27-V33 HydrophobicContact CG-CG2 3.59Å; L28-V33 HydrophobicContact CD2-CB 4.03Å; L28-V33 HydrophobicContact CD2-CG2 3.7Å; L28-V33 HydrophobicContact CG-CG2 4.49Å; E31-V33 HydrophobicContact CG-CG2 4.48Å; E31-V33 PolarHBondContact O-N 3Å; V33-H65 PolarHBondContact N-ND1 2.87Å; V33-H65 WeakPolarHBondContact O-CB 3.3Å; V33-R66 PolarHBondContact O-N 3.44Å; V33-K188 HydrophobicContact CG1-CB 4.2Å; V33-I189 HydrophobicContact CG1-CD1 3.84Å; V33-I189 HydrophobicContact CG1-CG1 3.92Å
34T98.1Very high95.7Very high4 Ų434.8 Ų34.83%0.02519%0.188CC..EExtended strand (participates in β ladder)trans-95.2130.7165-59.80000109.4R66 I68 C187 K188T34-R66 WeakPolarHBondContact CA-O 3.48Å; T34-R66 PolarHBondContact OG1-NE 3.17Å; T34-R66 PolarHBondContact OG1-NH2 2.83Å; T34-I68 HydrophobicContact CG2-CD1 3.33Å; T34-I68 HydrophobicContact CG2-CG1 3.7Å; T34-C187 HydrophobicContact CG2-CB 4.22Å; T34-K188 PolarHBondContact O-N 2.92Å
35L98.6Very high95.7Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-136.8156.1-17768.9156000110.7L57 F60 H65 R66 P67 I68 I189 V191L35-L57 HydrophobicContact CD1-CD1 4.25Å; L35-L57 HydrophobicContact CD1-CG 4.23Å; L35-F60 HydrophobicContact CD1-CB 3.73Å; L35-F60 HydrophobicContact CD1-CD1 3.56Å; L35-F60 HydrophobicContact CD1-CD2 3.51Å; L35-F60 HydrophobicContact CD1-CE1 4Å; L35-F60 HydrophobicContact CD1-CE2 3.96Å; L35-F60 HydrophobicContact CD1-CG 3.31Å; L35-F60 HydrophobicContact CD1-CZ 4.19Å; L35-F60 HydrophobicContact CD2-CB 3.7Å; L35-F60 HydrophobicContact CD2-CD1 3.93Å; L35-F60 HydrophobicContact CD2-CG 3.98Å; L35-F60 HydrophobicContact CG-CB 4.36Å; L35-F60 HydrophobicContact CG-CD1 4.38Å; L35-F60 HydrophobicContact CG-CG 4.31Å; L35-H65 HydrophobicContact CD2-CB 3.95Å; L35-R66 WeakPolarHBondContact CD2-O 3.49Å; L35-R66 PolarHBondContact N-O 2.92Å; L35-P67 CarbonylContact O-C 3.45Å; L35-P67 WeakPolarHBondContact O-CA 3.5Å; L35-I68 PolarHBondContact O-N 3.1Å; L35-I189 CarbonylContact C-O 3.5Å; L35-I189 WeakPolarHBondContact CA-O 3.35Å; L35-I189 HydrophobicContact CB-CB 3.79Å; L35-I189 HydrophobicContact CB-CG2 4.47Å; L35-I189 WeakPolarHBondContact CB-O 3.44Å; L35-V191 HydrophobicContact CD1-CG2 3.83Å
36Y98.6Very high95.7Very high2 Ų233.8 Ų33.81%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-135156.1179.992-78.9000114.7I68 L70 F178 L181 C187 I189 Q190 V191Y36-I68 WeakPolarHBondContact CA-O 3.27Å; Y36-I68 WeakPolarHBondContact CB-O 3.47Å; Y36-L70 HydrophobicContact CD2-CB 4.07Å; Y36-L70 HydrophobicContact CD2-CD1 4.29Å; Y36-L70 HydrophobicContact CE2-CD1 4.11Å; Y36-F178 HydrophobicContact CD1-CD2 4.27Å; Y36-F178 HydrophobicContact CD1-CE2 4.48Å; Y36-F178 HydrophobicContact CE1-CB 4.03Å; Y36-F178 HydrophobicContact CE1-CD1 4.4Å; Y36-F178 AromaticContact CE1-CD2 3.58Å; Y36-F178 HydrophobicContact CE1-CD2 3.58Å; Y36-F178 HydrophobicContact CE1-CE2 4.1Å; Y36-F178 AromaticContact CE1-CG 3.76Å; Y36-F178 HydrophobicContact CE1-CG 3.76Å; Y36-F178 WeakPolarHBondContact OH-CB 3.49Å; Y36-F178 PolarHBondContact OH-N 2.91Å; Y36-L181 HydrophobicContact CD1-CD1 3.88Å; Y36-L181 HydrophobicContact CD2-CD1 3.53Å; Y36-L181 HydrophobicContact CE1-CD1 4.16Å; Y36-L181 HydrophobicContact CE2-CD1 3.87Å; Y36-L181 HydrophobicContact CG-CD1 3.51Å; Y36-C187 VanDerWaalsContact CD1-SG 3.55Å; Y36-I189 PolarHBondContact N-O 3.36Å; Y36-Q190 HydrophobicContact CD1-CB 3.9Å; Y36-Q190 HydrophobicContact CD1-CG 3.9Å; Y36-Q190 HydrophobicContact CE1-CB 3.46Å; Y36-Q190 VanDerWaalsContact CE1-CB 3.46Å; Y36-Q190 HydrophobicContact CE1-CG 3.32Å; Y36-Q190 HydrophobicContact CE2-CG 4.14Å; Y36-Q190 VanDerWaalsContact CZ-CG 3.48Å; Y36-Q190 WeakPolarHBondContact O-CA 3.45Å; Y36-Q190 PolarHBondContact OH-NE2 3.14Å; Y36-Q190 PolarHBondContact OH-OE1 3.13Å; Y36-V191 PolarHBondContact O-N 3.05Å
37C98Very high95.6Very high4 Ų431.7 Ų31.73%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-136.3139.8164.9179.90000108.1P53 F54 L57 I68 L70 V191C37-P53 VanDerWaalsContact SG-CB 3.52Å; C37-F54 HydrophobicContact CB-CE1 4.38Å; C37-L57 HydrophobicContact CB-CD1 3.5Å; C37-L57 VanDerWaalsContact CB-CD1 3.5Å; C37-L57 HydrophobicContact CB-CD2 3.62Å; C37-L57 HydrophobicContact CB-CG 4.21Å; C37-I68 PolarHBondContact N-O 3.06Å; C37-I68 VanDerWaalsContact N-O 3.16Å; C37-L70 PolarHBondContact O-N 2.7Å; C37-V191 WeakPolarHBondContact CB-O 3.38Å; C37-V191 PolarHBondContact SG-O 3.44Å
38G96.2Very high95.4Very high36 Ų3631.1 Ų31.137%0.37117%0.168SC..EExtended strand (participates in β ladder)trans-99.7150.1177.200000112.6L70G38-L70 CarbonylContact C-O 3.51Å; G38-L70 VanDerWaalsContact CA-O 3.24Å; G38-L70 WeakPolarHBondContact CA-O 3.42Å
39A94.3Very high95.1Very high13 Ų1332.3 Ų32.311%0.10718%0.182CC..EExtended strand (participates in β ladder)trans-133.8128160.700000111.1L46 F54 L70 G72A39-L46 HydrophobicContact CB-CD2 4.3Å; A39-F54 HydrophobicContact CB-CE2 3.97Å; A39-F54 HydrophobicContact CB-CZ 3.59Å; A39-L70 PolarHBondContact N-O 2.91Å; A39-G72 PolarHBondContact O-N 2.8Å
40D94.2Very high94.9Very high24 Ų2431.3 Ų31.313%0.12818%0.175CC..  trans-75132.9171.7-83-6.6000110.7T42 T75 G76 Y170D40-T42 HydrophobicContact CB-CG2 4.19Å; D40-T42 PolarHBondContact O-N 2.6Å; D40-T75 VanDerWaalsContact OD1-CB 3.3Å; D40-T75 WeakPolarHBondContact OD1-CB 3.31Å; D40-T75 PolarHBondContact OD1-OG1 3.1Å; D40-G76 PolarHBondContact OD1-N 3.38Å; D40-Y170 WeakPolarHBondContact OD2-CE2 3.22Å; D40-Y170 PolarHBondContact OD2-OH 3.39Å
41P93.3Very high94.8Very high0 Ų023.7 Ų23.70%014%0.142CC..  trans-78.265-176.335-38.4000112.3A43 I71 G72 Q91 V96 N99 I100 I103P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 3.07Å; P41-I71 HydrophobicContact CB-CG2 4.38Å; P41-I71 HydrophobicContact CG-CG2 4.43Å; P41-G72 WeakPolarHBondContact CD-O 3.39Å; P41-Q91 PolarHBondContact O-OE1 2.99Å; P41-V96 HydrophobicContact CG-CG1 3.96Å; P41-N99 HydrophobicContact CB-CB 3.7Å; P41-N99 VanDerWaalsContact O-CB 3.3Å; P41-N99 WeakPolarHBondContact O-CB 3.47Å; P41-N99 PolarHBondContact O-ND2 2.86Å; P41-I100 HydrophobicContact CB-CG1 3.97Å; P41-I100 HydrophobicContact CG-CG1 3.96Å; P41-I103 HydrophobicContact CB-CD1 3.94Å
42T90.7Very high94.9Very high57 Ų5721 Ų2135%0.3513%0.129SC..SBendtrans-76.1-17.7-17859.40000114D40 Q91D40-T42 HydrophobicContact CB-CG2 4.19Å; D40-T42 PolarHBondContact O-N 2.6Å; T42-Q91 PolarHBondContact O-NE2 3.41Å
43A93Very high94.9Very high18 Ų1817.3 Ų17.315%0.14911%0.113CC..SBendtrans-150164.4174.700000109P41 S45 N99 W241P41-A43 VanDerWaalsContact C-N 3.3Å; P41-A43 PolarHBondContact O-N 3.07Å; A43-S45 PolarHBondContact O-N 3.26Å; A43-N99 VanDerWaalsContact C-OD1 3.29Å; A43-N99 WeakPolarHBondContact O-CB 3.34Å; A43-W241 HydrophobicContact CB-CH2 3.86Å; A43-W241 HydrophobicContact CB-CZ3 3.72Å
44D93.8Very high94.9Very high37 Ų3717.4 Ų17.420%0.19811%0.114CC..SBendtrans-75.48.2176.457.6-19.3000114.6K98 N99 G102 K246D44-K98 HydrophobicContact CB-CG 4.49Å; D44-K98 IonicContact OD2-NZ 2.71Å; D44-N99 PolarHBondContact N-OD1 3.18Å; D44-G102 WeakPolarHBondContact O-CA 3.49Å; D44-K246 WeakPolarHBondContact OD1-CE 3.47Å; D44-K246 IonicContact OD1-NZ 3.79Å; D44-K246 PolarHBondContact OD1-NZ 3.01Å
45S96.5Very high94.8Very high2 Ų217.2 Ų17.21%0.01411%0.113CC..SBendtrans-150.9144.9171.1173.30000109.2A43 Q106 W241 D243A43-S45 PolarHBondContact O-N 3.26Å; S45-Q106 PolarHBondContact OG-NE2 3.22Å; S45-W241 WeakPolarHBondContact O-CZ3 3.45Å; S45-D243 WeakPolarHBondContact OG-CB 3.26Å; S45-D243 PolarHBondContact OG-N 2.93Å
46L95.3Very high94.8Very high4 Ų417.3 Ų17.32%0.02111%0.113CC..  trans-71.4164.5159.3-61.4-177.1000110.5A39 H50 F54 I103 M107 L242A39-L46 HydrophobicContact CB-CD2 4.3Å; L46-H50 HydrophobicContact CB-CB 4.22Å; L46-H50 HydrophobicContact CD1-CB 4.3Å; L46-H50 HydrophobicContact CD2-CB 4.05Å; L46-H50 HydrophobicContact CG-CB 4.44Å; L46-F54 HydrophobicContact CD1-CD2 3.92Å; L46-F54 HydrophobicContact CD1-CE2 3.55Å; L46-F54 HydrophobicContact CD1-CZ 4.48Å; L46-I103 HydrophobicContact CD1-CG2 4.37Å; L46-I103 HydrophobicContact CD2-CD1 4Å; L46-I103 HydrophobicContact CD2-CG1 4.14Å; L46-I103 HydrophobicContact CD2-CG2 4.42Å; L46-I103 HydrophobicContact CG-CG1 4.18Å; L46-I103 HydrophobicContact CG-CG2 4.26Å; L46-M107 HydrophobicContact CD1-CE 3.24Å; L46-M107 HydrophobicContact CG-CE 4.41Å; L46-L242 HydrophobicContact CB-CD1 3.88Å; L46-L242 HydrophobicContact CB-CG 4.28Å; L46-L242 PolarHBondContact O-N 3.34Å
47H94.1Very high94.8Very high47 Ų4717.2 Ų17.222%0.21811%0.112CC..BIsolated β-bridgetrans-126.3167.7171.458.844.3000108.7G49 H50 A239 V240 W241H47-G49 PolarHBondContact ND1-N 3.15Å; H47-G49 PolarHBondContact O-N 3.09Å; H47-H50 AromaticContact CD2-CE1 3.74Å; H47-H50 AromaticContact CE1-CD2 3.78Å; H47-H50 AromaticContact CE1-CE1 3.14Å; H47-H50 PolarHBondContact CE1-CE1 3Å; H47-H50 AromaticContact CE1-CG 3.81Å; H47-H50 AromaticContact CE1-ND1 3.44Å; H47-H50 PolarHBondContact CE1-ND1 3.45Å; H47-H50 AromaticContact CE1-NE2 3.35Å; H47-H50 PolarHBondContact CE1-NE2 3.08Å; H47-H50 AromaticContact CG-CE1 3.95Å; H47-H50 AromaticContact CG-ND1 3.84Å; H47-H50 PolarHBondContact N-ND1 3.09Å; H47-H50 AromaticContact ND1-CE1 3.59Å; H47-H50 AromaticContact ND1-CG 3.84Å; H47-H50 AromaticContact ND1-ND1 3.41Å; H47-H50 PolarHBondContact ND1-ND1 3.47Å; H47-H50 AromaticContact NE2-CE1 3.25Å; H47-H50 PolarHBondContact NE2-CE1 3.36Å; H47-H50 AromaticContact NE2-ND1 3.87Å; H47-H50 AromaticContact NE2-NE2 3.67Å; H47-H50 PolarHBondContact O-N 2.88Å; H47-A239 HydrophobicContact CB-CB 4.19Å; H47-V240 CarbonylContact C-O 3.55Å; H47-V240 WeakPolarHBondContact CA-O 3.24Å; H47-V240 WeakPolarHBondContact CB-O 3.16Å; H47-W241 HydrophobicContact CB-CE3 4.13Å
48I93.9Very high94.7Very high0 Ų018.8 Ų18.80%012%0.118CC..G310 helixtrans-55.7-24.5-174.166.5174.3000114.8H50 L51 F232 V240 L242 F252 F255 W256I48-H50 PolarHBondContact O-N 2.98Å; I48-L51 VanDerWaalsContact O-CB 3.3Å; I48-L51 WeakPolarHBondContact O-CB 3.33Å; I48-L51 PolarHBondContact O-N 3.49Å; I48-L51 VanDerWaalsContact O-N 3.13Å; I48-F232 HydrophobicContact CB-CE1 4.22Å; I48-F232 HydrophobicContact CD1-CD1 4.43Å; I48-F232 HydrophobicContact CD1-CE1 3.72Å; I48-F232 HydrophobicContact CD1-CE2 4.35Å; I48-F232 HydrophobicContact CD1-CZ 3.67Å; I48-F232 HydrophobicContact CG1-CD1 4.4Å; I48-F232 HydrophobicContact CG1-CE1 3.76Å; I48-F232 HydrophobicContact CG1-CZ 4.22Å; I48-V240 HydrophobicContact CD1-CB 3.96Å; I48-V240 HydrophobicContact CD1-CG1 4.3Å; I48-V240 HydrophobicContact CD1-CG2 4.27Å; I48-V240 HydrophobicContact CG1-CB 4.1Å; I48-V240 HydrophobicContact CG2-CB 4.16Å; I48-V240 HydrophobicContact CG2-CG1 3.84Å; I48-V240 PolarHBondContact N-O 3.35Å; I48-L242 HydrophobicContact CG2-CD2 4.01Å; I48-F252 HydrophobicContact CG2-CD2 4.41Å; I48-F252 HydrophobicContact CG2-CE2 3.51Å; I48-F252 HydrophobicContact CG2-CZ 4.06Å; I48-F255 HydrophobicContact CD1-CD1 3.78Å; I48-F255 HydrophobicContact CD1-CE1 3.07Å; I48-F255 HydrophobicContact CD1-CE2 4.01Å; I48-F255 HydrophobicContact CD1-CZ 3.2Å; I48-W256 HydrophobicContact CB-CZ2 4.26Å; I48-W256 HydrophobicContact CD1-CH2 4.38Å; I48-W256 HydrophobicContact CD1-CZ2 4.3Å; I48-W256 HydrophobicContact CG2-CZ2 3.88Å
49G90.5Very high94.8Very high34 Ų3417.3 Ų17.335%0.35110%0.101SC..G310 helixtrans-63.7-22.7173.600000114.7H47H47-G49 PolarHBondContact ND1-N 3.15Å; H47-G49 PolarHBondContact O-N 3.09Å
50H91.4Very high94.9Very high60 Ų6016.7 Ų16.728%0.27810%0.096SC..G310 helixtrans-91.8-8.5175.6-56.6132.8000112.5L46 H47 I48 P53 F54L46-H50 HydrophobicContact CB-CB 4.22Å; L46-H50 HydrophobicContact CD1-CB 4.3Å; L46-H50 HydrophobicContact CD2-CB 4.05Å; L46-H50 HydrophobicContact CG-CB 4.44Å; H47-H50 AromaticContact CD2-CE1 3.74Å; H47-H50 AromaticContact CE1-CD2 3.78Å; H47-H50 AromaticContact CE1-CE1 3.14Å; H47-H50 PolarHBondContact CE1-CE1 3Å; H47-H50 AromaticContact CE1-CG 3.81Å; H47-H50 AromaticContact CE1-ND1 3.44Å; H47-H50 PolarHBondContact CE1-ND1 3.45Å; H47-H50 AromaticContact CE1-NE2 3.35Å; H47-H50 PolarHBondContact CE1-NE2 3.08Å; H47-H50 AromaticContact CG-CE1 3.95Å; H47-H50 AromaticContact CG-ND1 3.84Å; H47-H50 PolarHBondContact N-ND1 3.09Å; H47-H50 AromaticContact ND1-CE1 3.59Å; H47-H50 AromaticContact ND1-CG 3.84Å; H47-H50 AromaticContact ND1-ND1 3.41Å; H47-H50 PolarHBondContact ND1-ND1 3.47Å; H47-H50 AromaticContact NE2-CE1 3.25Å; H47-H50 PolarHBondContact NE2-CE1 3.36Å; H47-H50 AromaticContact NE2-ND1 3.87Å; H47-H50 AromaticContact NE2-NE2 3.67Å; H47-H50 PolarHBondContact O-N 2.88Å; I48-H50 PolarHBondContact O-N 2.98Å; H50-P53 WeakPolarHBondContact O-CD 3.32Å; H50-F54 WeakPolarHBondContact O-CD2 3.34Å
51L93.9Very high95.1Very high0 Ų015.7 Ų15.70%09%0.091CC..Hα-helixtrans-72.8-35.6-168.1-175.757.1000112I48 F54 L55 I110 L242 F271 V303 I307I48-L51 VanDerWaalsContact O-CB 3.3Å; I48-L51 WeakPolarHBondContact O-CB 3.33Å; I48-L51 PolarHBondContact O-N 3.49Å; I48-L51 VanDerWaalsContact O-N 3.13Å; L51-F54 PolarHBondContact O-N 2.98Å; L51-L55 HydrophobicContact CD1-CD1 4.28Å; L51-L55 HydrophobicContact CD1-CD2 4.05Å; L51-L55 HydrophobicContact CD1-CG 3.87Å; L51-L55 HydrophobicContact CD2-CD1 4.07Å; L51-L55 HydrophobicContact CG-CD1 3.71Å; L51-L55 HydrophobicContact CG-CD2 4.39Å; L51-L55 HydrophobicContact CG-CG 3.78Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 2.63Å; L51-I110 HydrophobicContact CD1-CD1 3.99Å; L51-L242 HydrophobicContact CD1-CD1 4.31Å; L51-F271 HydrophobicContact CB-CE1 4.34Å; L51-F271 HydrophobicContact CD2-CD1 4.11Å; L51-F271 HydrophobicContact CG-CD1 4.37Å; L51-V303 HydrophobicContact CD2-CG1 4.36Å; L51-I307 HydrophobicContact CD1-CD1 3.85Å; L51-I307 HydrophobicContact CD2-CD1 4.07Å; L51-I307 HydrophobicContact CD2-CG1 4.39Å
52L95.5Very high95.2Very high2 Ų220.9 Ų20.91%0.0112%0.115CC..Hα-helixtrans-61.9-45.8-171.4-164.164.5000114.1L14 F54 L55 T56 I221 V224 Y270 F271L14-L52 HydrophobicContact CD2-CD1 3.77Å; L14-L52 HydrophobicContact CD2-CD2 3.89Å; L14-L52 HydrophobicContact CD2-CG 3.99Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.83Å; L52-L55 PolarHBondContact O-N 3.39Å; L52-T56 PolarHBondContact O-N 2.93Å; L52-T56 PolarHBondContact O-OG1 2.85Å; L52-T56 VanDerWaalsContact O-OG1 3.14Å; L52-I221 HydrophobicContact CB-CD1 3.79Å; L52-I221 HydrophobicContact CD2-CD1 3.85Å; L52-I221 HydrophobicContact CD2-CG1 4.44Å; L52-I221 HydrophobicContact CG-CD1 3.65Å; L52-V224 HydrophobicContact CB-CG2 4.32Å; L52-V224 HydrophobicContact CD2-CG2 3.59Å; L52-Y270 HydrophobicContact CD1-CD2 4.47Å; L52-Y270 HydrophobicContact CD1-CG 4.11Å; L52-Y270 VanDerWaalsContact CD1-O 3.26Å; L52-Y270 WeakPolarHBondContact CD1-O 3.39Å; L52-Y270 HydrophobicContact CD2-CD2 3.84Å; L52-Y270 HydrophobicContact CD2-CE2 4.23Å; L52-Y270 HydrophobicContact CD2-CG 4.18Å; L52-F271 HydrophobicContact CB-CE1 4.13Å; L52-F271 HydrophobicContact CD1-CD1 4.33Å; L52-F271 HydrophobicContact CD1-CE1 4.18Å
53P95.7Very high95.5Very high18 Ų1821.9 Ų21.912%0.11712%0.115CC..Hα-helixtrans-57.7-41173.9-22.931.8000113.6C37 H50 T56 L57 I221C37-P53 VanDerWaalsContact SG-CB 3.52Å; H50-P53 WeakPolarHBondContact O-CD 3.32Å; P53-T56 WeakPolarHBondContact O-CB 3.43Å; P53-T56 PolarHBondContact O-N 2.9Å; P53-L57 WeakPolarHBondContact O-CD1 3.26Å; P53-L57 PolarHBondContact O-N 3.22Å; P53-I221 HydrophobicContact CB-CD1 4.03Å; P53-I221 VanDerWaalsContact CD-CD1 3.47Å; P53-I221 HydrophobicContact CG-CD1 3.52Å; P53-I221 HydrophobicContact CG-CG1 4.5Å; P53-I221 VanDerWaalsContact N-CD1 3.28Å
54F96.8Very high95.6Very high4 Ų422.5 Ų22.52%0.01812%0.123CC..Hα-helixtrans-70.7-38.3178.8-67.1-59.4000112.6C37 A39 L46 H50 L51 L52 T56 L57 R58 V69 M107 I110 F111C37-F54 HydrophobicContact CB-CE1 4.38Å; A39-F54 HydrophobicContact CB-CE2 3.97Å; A39-F54 HydrophobicContact CB-CZ 3.59Å; L46-F54 HydrophobicContact CD1-CD2 3.92Å; L46-F54 HydrophobicContact CD1-CE2 3.55Å; L46-F54 HydrophobicContact CD1-CZ 4.48Å; H50-F54 WeakPolarHBondContact O-CD2 3.34Å; L51-F54 PolarHBondContact O-N 2.98Å; L52-F54 VanDerWaalsContact C-N 3.31Å; L52-F54 PolarHBondContact O-N 2.83Å; F54-T56 VanDerWaalsContact C-N 3.3Å; F54-T56 PolarHBondContact O-N 2.87Å; F54-L57 WeakPolarHBondContact O-CB 3.34Å; F54-L57 PolarHBondContact O-N 2.85Å; F54-R58 PolarHBondContact O-N 3.49Å; F54-V69 HydrophobicContact CE1-CG1 3.89Å; F54-M107 HydrophobicContact CD1-SD 4.07Å; F54-M107 HydrophobicContact CD2-CE 4.17Å; F54-M107 HydrophobicContact CE1-SD 4.03Å; F54-M107 HydrophobicContact CE2-CE 4.13Å; F54-M107 HydrophobicContact CG-CE 4.44Å; F54-M107 HydrophobicContact CG-SD 4.37Å; F54-M107 HydrophobicContact CZ-CE 4.37Å; F54-M107 HydrophobicContact CZ-SD 4.26Å; F54-I110 HydrophobicContact CB-CG2 4.37Å; F54-F111 HydrophobicContact CB-CE2 4.1Å; F54-F111 HydrophobicContact CB-CZ 4.07Å; F54-F111 AromaticContact CD1-CE2 3.96Å; F54-F111 HydrophobicContact CD1-CE2 3.96Å; F54-F111 HydrophobicContact CD1-CZ 4.11Å; F54-F111 HydrophobicContact CG-CE2 4.38Å; F54-F111 VanDerWaalsContact O-CZ 3.28Å; F54-F111 WeakPolarHBondContact O-CZ 3.35Å
55L97.4Very high95.8Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-64.6-36.7171.9-66.9-177.3000111.8L51 L52 R58 R59 F271 F273 F306L51-L55 HydrophobicContact CD1-CD1 4.28Å; L51-L55 HydrophobicContact CD1-CD2 4.05Å; L51-L55 HydrophobicContact CD1-CG 3.87Å; L51-L55 HydrophobicContact CD2-CD1 4.07Å; L51-L55 HydrophobicContact CG-CD1 3.71Å; L51-L55 HydrophobicContact CG-CD2 4.39Å; L51-L55 HydrophobicContact CG-CG 3.78Å; L51-L55 WeakPolarHBondContact O-CG 3.35Å; L51-L55 PolarHBondContact O-N 2.63Å; L52-L55 PolarHBondContact O-N 3.39Å; L55-R58 PolarHBondContact O-N 2.9Å; L55-R59 WeakPolarHBondContact O-CG 3.11Å; L55-R59 PolarHBondContact O-N 2.91Å; L55-F271 HydrophobicContact CD1-CB 4.23Å; L55-F271 HydrophobicContact CD1-CD1 3.9Å; L55-F271 WeakPolarHBondContact CD1-O 3.33Å; L55-F273 HydrophobicContact CD2-CE2 3.93Å; L55-F273 HydrophobicContact CD2-CZ 3.97Å; L55-F306 HydrophobicContact CD2-CD1 4.09Å; L55-F306 HydrophobicContact CD2-CE1 3.44Å; L55-F306 VanDerWaalsContact CD2-CE1 3.44Å; L55-F306 HydrophobicContact CD2-CZ 4.03Å
56T97.7Very high95.8Very high1 Ų124.3 Ų24.31%0.00613%0.128CC..Hα-helixtrans-60-48171.5-63.30000110.4L9 L52 P53 F54 R58 R59 F60 V191 I221L9-T56 HydrophobicContact CD2-CG2 4.25Å; L52-T56 PolarHBondContact O-N 2.93Å; L52-T56 PolarHBondContact O-OG1 2.85Å; L52-T56 VanDerWaalsContact O-OG1 3.14Å; P53-T56 WeakPolarHBondContact O-CB 3.43Å; P53-T56 PolarHBondContact O-N 2.9Å; F54-T56 VanDerWaalsContact C-N 3.3Å; F54-T56 PolarHBondContact O-N 2.87Å; T56-R58 VanDerWaalsContact C-N 3.29Å; T56-R58 PolarHBondContact O-N 3.1Å; T56-R59 WeakPolarHBondContact O-CB 3.49Å; T56-R59 PolarHBondContact O-N 3.42Å; T56-R59 VanDerWaalsContact O-N 3.08Å; T56-F60 HydrophobicContact CG2-CD2 4.33Å; T56-F60 HydrophobicContact CG2-CE2 4.06Å; T56-F60 WeakPolarHBondContact O-CD2 3.17Å; T56-F60 PolarHBondContact O-N 3.19Å; T56-V191 HydrophobicContact CG2-CG1 4.06Å; T56-I221 HydrophobicContact CG2-CG2 4.15Å
57L97.8Very high96Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-56.8-40.9172.7-99.866.5000112.7L35 C37 P53 F54 R59 F60 Q61 P67 F111 V191L35-L57 HydrophobicContact CD1-CD1 4.25Å; L35-L57 HydrophobicContact CD1-CG 4.23Å; C37-L57 HydrophobicContact CB-CD1 3.5Å; C37-L57 VanDerWaalsContact CB-CD1 3.5Å; C37-L57 HydrophobicContact CB-CD2 3.62Å; C37-L57 HydrophobicContact CB-CG 4.21Å; P53-L57 WeakPolarHBondContact O-CD1 3.26Å; P53-L57 PolarHBondContact O-N 3.22Å; F54-L57 WeakPolarHBondContact O-CB 3.34Å; F54-L57 PolarHBondContact O-N 2.85Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 3.15Å; L57-F60 WeakPolarHBondContact O-CB 3.37Å; L57-F60 PolarHBondContact O-N 2.95Å; L57-F60 VanDerWaalsContact O-N 3.17Å; L57-Q61 PolarHBondContact O-N 2.93Å; L57-P67 HydrophobicContact CB-CB 4.11Å; L57-P67 HydrophobicContact CD2-CB 4Å; L57-P67 HydrophobicContact CG-CB 4.12Å; L57-F111 HydrophobicContact CB-CE1 3.73Å; L57-F111 HydrophobicContact CB-CZ 3.71Å; L57-F111 HydrophobicContact CD2-CZ 4.33Å; L57-V191 HydrophobicContact CD1-CB 3.64Å; L57-V191 HydrophobicContact CD1-CG1 4.09Å; L57-V191 HydrophobicContact CD1-CG2 3.9Å
58R97.2Very high96.2Very high37 Ų3721.9 Ų21.914%0.1412%0.116CC..Hα-helixtrans-63.5-36.7176.5178.561.6-171.8-168.8-2.3111.3F54 L55 T56 F60 Q61 E62 I110 F111 E112 F273 F306F54-R58 PolarHBondContact O-N 3.49Å; L55-R58 PolarHBondContact O-N 2.9Å; T56-R58 VanDerWaalsContact C-N 3.29Å; T56-R58 PolarHBondContact O-N 3.1Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.46Å; R58-Q61 WeakPolarHBondContact O-CA 3.36Å; R58-Q61 VanDerWaalsContact O-CB 3.26Å; R58-Q61 WeakPolarHBondContact O-CB 3.1Å; R58-Q61 PolarHBondContact O-N 3.24Å; R58-E62 IonicContact CZ-OE1 3.79Å; R58-E62 IonicContact NE-OE1 2.98Å; R58-E62 PolarHBondContact NE-OE1 3.36Å; R58-E62 IonicContact NH2-OE1 3.02Å; R58-E62 PolarHBondContact NH2-OE1 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.46Å; R58-E62 PolarHBondContact O-N 3.45Å; R58-I110 WeakPolarHBondContact CD-O 3.5Å; R58-F111 HydrophobicContact CB-CD1 4.4Å; R58-F111 HydrophobicContact CB-CE1 4Å; R58-E112 VanDerWaalsContact NH1-N 3.15Å; R58-F273 HydrophobicContact CB-CE1 4.33Å; R58-F273 HydrophobicContact CB-CZ 3.88Å; R58-F273 HydrophobicContact CG-CE1 3.89Å; R58-F273 HydrophobicContact CG-CE2 4.33Å; R58-F273 HydrophobicContact CG-CZ 3.46Å; R58-F273 VanDerWaalsContact CG-CZ 3.46Å; R58-F306 HydrophobicContact CG-CZ 4.46Å
59R97.7Very high96.4Very high5 Ų521.9 Ų21.92%0.01912%0.116CC..Hα-helixtrans-61.2-39.2172.6-66.5177.9-161.4-67.1-4.4112.4L5 L55 T56 L57 Q61 E62 H63 K269 Y270 T272 F273L5-R59 HydrophobicContact CD1-CB 4.14Å; L55-R59 WeakPolarHBondContact O-CG 3.11Å; L55-R59 PolarHBondContact O-N 2.91Å; T56-R59 WeakPolarHBondContact O-CB 3.49Å; T56-R59 PolarHBondContact O-N 3.42Å; T56-R59 VanDerWaalsContact O-N 3.08Å; L57-R59 VanDerWaalsContact C-N 3.32Å; L57-R59 PolarHBondContact O-N 3.15Å; R59-Q61 VanDerWaalsContact C-N 3.29Å; R59-E62 PolarHBondContact O-N 3.47Å; R59-H63 PolarHBondContact O-N 3.26Å; R59-H63 PolarHBondContact O-ND1 3.43Å; R59-K269 PolarHBondContact NH2-O 3.31Å; R59-Y270 PolarHBondContact NH2-O 2.86Å; R59-T272 PolarHBondContact NH1-O 3.43Å; R59-T272 VanDerWaalsContact NH1-O 3.12Å; R59-T272 PolarHBondContact NH2-O 3.12Å; R59-F273 HydrophobicContact CG-CD1 4.16Å; R59-F273 HydrophobicContact CG-CE1 3.63Å
60F97.6Very high96.7Very high1 Ų120.5 Ų20.50%0.00410%0.101CC..Hα-helixtrans-61.7-40.7171.7-82.7-98.2000111L5 L9 L28 L35 T56 L57 R58 H63 G64 H65 L219L5-F60 HydrophobicContact CD2-CB 4.34Å; L5-F60 HydrophobicContact CD2-CD1 3.41Å; L5-F60 VanDerWaalsContact CD2-CD1 3.41Å; L5-F60 HydrophobicContact CD2-CD2 4.14Å; L5-F60 HydrophobicContact CD2-CE1 3.61Å; L5-F60 HydrophobicContact CD2-CE2 4.31Å; L5-F60 HydrophobicContact CD2-CG 3.69Å; L5-F60 HydrophobicContact CD2-CZ 4.05Å; L9-F60 HydrophobicContact CD1-CE2 3.69Å; L9-F60 HydrophobicContact CD1-CZ 3.93Å; L28-F60 HydrophobicContact CD1-CE1 4.17Å; L28-F60 HydrophobicContact CD2-CD1 4.18Å; L28-F60 HydrophobicContact CD2-CE1 3.79Å; L35-F60 HydrophobicContact CD1-CB 3.73Å; L35-F60 HydrophobicContact CD1-CD1 3.56Å; L35-F60 HydrophobicContact CD1-CD2 3.51Å; L35-F60 HydrophobicContact CD1-CE1 4Å; L35-F60 HydrophobicContact CD1-CE2 3.96Å; L35-F60 HydrophobicContact CD1-CG 3.31Å; L35-F60 HydrophobicContact CD1-CZ 4.19Å; L35-F60 HydrophobicContact CD2-CB 3.7Å; L35-F60 HydrophobicContact CD2-CD1 3.93Å; L35-F60 HydrophobicContact CD2-CG 3.98Å; L35-F60 HydrophobicContact CG-CB 4.36Å; L35-F60 HydrophobicContact CG-CD1 4.38Å; L35-F60 HydrophobicContact CG-CG 4.31Å; T56-F60 HydrophobicContact CG2-CD2 4.33Å; T56-F60 HydrophobicContact CG2-CE2 4.06Å; T56-F60 WeakPolarHBondContact O-CD2 3.17Å; T56-F60 PolarHBondContact O-N 3.19Å; L57-F60 WeakPolarHBondContact O-CB 3.37Å; L57-F60 PolarHBondContact O-N 2.95Å; L57-F60 VanDerWaalsContact O-N 3.17Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.46Å; F60-H63 CarbonylContact O-C 3.43Å; F60-H63 PolarHBondContact O-N 3.06Å; F60-H63 VanDerWaalsContact O-N 3.16Å; F60-G64 PolarHBondContact O-N 2.87Å; F60-H65 HydrophobicContact CB-CB 4.05Å; F60-H65 HydrophobicContact CD1-CB 4.3Å; F60-H65 AromaticContact CD1-CD2 3.65Å; F60-H65 VanDerWaalsContact O-CB 3.28Å; F60-H65 WeakPolarHBondContact O-CB 3.45Å; F60-H65 PolarHBondContact O-CD2 2.82Å; F60-H65 PolarHBondContact O-N 2.84Å; F60-L219 HydrophobicContact CE2-CD2 4.07Å; F60-L219 HydrophobicContact CZ-CD2 4.05Å
61Q97.4Very high97Very high3 Ų317.9 Ų17.91%0.0149%0.089CC..Hα-helixtrans-61.3-45.2175.7-165.4175.132.100113.2L57 R58 R59 H63 G64 H65 P67 E112 H117L57-Q61 PolarHBondContact O-N 2.93Å; R58-Q61 WeakPolarHBondContact O-CA 3.36Å; R58-Q61 VanDerWaalsContact O-CB 3.26Å; R58-Q61 WeakPolarHBondContact O-CB 3.1Å; R58-Q61 PolarHBondContact O-N 3.24Å; R59-Q61 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 3.34Å; Q61-G64 PolarHBondContact O-N 2.83Å; Q61-H65 WeakPolarHBondContact CA-O 3.02Å; Q61-P67 HydrophobicContact CB-CG 3.96Å; Q61-P67 HydrophobicContact CG-CG 4.11Å; Q61-E112 PolarHBondContact NE2-O 3.16Å; Q61-H117 PolarHBondContact NE2-O 2.88Å
62E95.6Very high97.2Very high109 Ų10917.9 Ų17.951%0.5099%0.089SC..Hα-helixtrans-59.9-24.7175.3-66.2-63.2155.500112.8R58 R59 G64R58-E62 IonicContact CZ-OE1 3.79Å; R58-E62 IonicContact NE-OE1 2.98Å; R58-E62 PolarHBondContact NE-OE1 3.36Å; R58-E62 IonicContact NH2-OE1 3.02Å; R58-E62 PolarHBondContact NH2-OE1 3.32Å; R58-E62 WeakPolarHBondContact O-CG 3.46Å; R58-E62 PolarHBondContact O-N 3.45Å; R59-E62 PolarHBondContact O-N 3.47Å; E62-G64 VanDerWaalsContact C-N 3.33Å
63H95.9Very high97.1Very high77 Ų7717.8 Ų17.836%0.3569%0.088SC..THydrogen-bonded Turntrans-95.916.5175.7-67.574.5000112.7L5 R59 F60 Q61L5-H63 HydrophobicContact CB-CB 4.28Å; L5-H63 HydrophobicContact CD2-CB 4.18Å; R59-H63 PolarHBondContact O-N 3.26Å; R59-H63 PolarHBondContact O-ND1 3.43Å; F60-H63 CarbonylContact O-C 3.43Å; F60-H63 PolarHBondContact O-N 3.06Å; F60-H63 VanDerWaalsContact O-N 3.16Å; Q61-H63 PolarHBondContact O-N 3.34Å
64G95.9Very high97.1Very high31 Ų3117.5 Ų17.532%0.329%0.089SC..THydrogen-bonded Turntrans83.87172.500000115.1Q32 F60 Q61 E62Q32-G64 VanDerWaalsContact CG-O 3.29Å; Q32-G64 WeakPolarHBondContact CG-O 3.47Å; Q32-G64 PolarHBondContact NE2-O 2.84Å; F60-G64 PolarHBondContact O-N 2.87Å; Q61-G64 PolarHBondContact O-N 2.83Å; E62-G64 VanDerWaalsContact C-N 3.33Å
65H97.4Very high96.9Very high9 Ų917.4 Ų17.44%0.0429%0.089CC..  trans-85163.4174.8-55-53.2000111.6L28 V33 L35 F60 Q61 P67L28-H65 WeakPolarHBondContact CD2-NE2 3.39Å; V33-H65 PolarHBondContact N-ND1 2.87Å; V33-H65 WeakPolarHBondContact O-CB 3.3Å; L35-H65 HydrophobicContact CD2-CB 3.95Å; F60-H65 HydrophobicContact CB-CB 4.05Å; F60-H65 HydrophobicContact CD1-CB 4.3Å; F60-H65 AromaticContact CD1-CD2 3.65Å; F60-H65 VanDerWaalsContact O-CB 3.28Å; F60-H65 WeakPolarHBondContact O-CB 3.45Å; F60-H65 PolarHBondContact O-CD2 2.82Å; F60-H65 PolarHBondContact O-N 2.84Å; Q61-H65 WeakPolarHBondContact CA-O 3.02Å; H65-P67 WeakPolarHBondContact O-CD 3.35Å
66R97.9Very high96.6Very high68 Ų6817.9 Ų17.926%0.2579%0.094SC..EExtended strand (participates in β ladder)trans-106.2107.6-174.4-173.9171.864-179.94.3111.7V33 T34 L35 G118 L185V33-R66 PolarHBondContact O-N 3.44Å; T34-R66 WeakPolarHBondContact CA-O 3.48Å; T34-R66 PolarHBondContact OG1-NE 3.17Å; T34-R66 PolarHBondContact OG1-NH2 2.83Å; L35-R66 WeakPolarHBondContact CD2-O 3.49Å; L35-R66 PolarHBondContact N-O 2.92Å; R66-G118 WeakPolarHBondContact CG-O 3.24Å; R66-L185 PolarHBondContact NH2-O 3.27Å
67P98.4Very high96.2Very high0 Ų020 Ų200%010%0.104CC..EExtended strand (participates in β ladder)trans-77.2139175.431.5-34.3000111.7L35 L57 Q61 H65 F111 A119 V120L35-P67 CarbonylContact O-C 3.45Å; L35-P67 WeakPolarHBondContact O-CA 3.5Å; L57-P67 HydrophobicContact CB-CB 4.11Å; L57-P67 HydrophobicContact CD2-CB 4Å; L57-P67 HydrophobicContact CG-CB 4.12Å; Q61-P67 HydrophobicContact CB-CG 3.96Å; Q61-P67 HydrophobicContact CG-CG 4.11Å; H65-P67 WeakPolarHBondContact O-CD 3.35Å; P67-F111 HydrophobicContact CB-CD1 4.3Å; P67-F111 HydrophobicContact CB-CE1 3.98Å; P67-F111 HydrophobicContact CG-CD1 3.87Å; P67-F111 HydrophobicContact CG-CE1 4.02Å; P67-A119 HydrophobicContact CG-CB 3.73Å; P67-A119 CarbonylContact O-C 3.58Å; P67-A119 VanDerWaalsContact O-CA 3.23Å; P67-A119 WeakPolarHBondContact O-CA 3.4Å; P67-V120 PolarHBondContact O-N 3.24Å
68I98.6Very high95.9Very high0 Ų021.9 Ų21.90%011%0.114CC..EExtended strand (participates in β ladder)trans-107.2122.5164-62.6168.1000106.9T34 L35 Y36 C37 V120 V122 L181 L185 C187T34-I68 HydrophobicContact CG2-CD1 3.33Å; T34-I68 HydrophobicContact CG2-CG1 3.7Å; L35-I68 PolarHBondContact O-N 3.1Å; Y36-I68 WeakPolarHBondContact CA-O 3.27Å; Y36-I68 WeakPolarHBondContact CB-O 3.47Å; C37-I68 PolarHBondContact N-O 3.06Å; C37-I68 VanDerWaalsContact N-O 3.16Å; I68-V120 CarbonylContact C-O 3.53Å; I68-V120 WeakPolarHBondContact CA-O 3.45Å; I68-V120 HydrophobicContact CG1-CB 4.4Å; I68-V122 HydrophobicContact CG2-CG1 4.34Å; I68-V122 HydrophobicContact CG2-CG2 3.61Å; I68-L181 HydrophobicContact CD1-CD2 4.45Å; I68-L181 HydrophobicContact CG2-CD1 4.24Å; I68-L181 HydrophobicContact CG2-CD2 4.27Å; I68-L185 HydrophobicContact CD1-CB 3.8Å; I68-L185 HydrophobicContact CD1-CD1 3.68Å; I68-L185 HydrophobicContact CD1-CG 4.41Å; I68-L185 HydrophobicContact CG1-CD1 4.28Å; I68-C187 HydrophobicContact CD1-CB 3.92Å
69V97.8Very high95.4Very high1 Ų120.2 Ų20.21%0.00611%0.109CC..EExtended strand (participates in β ladder)trans-96.7111.9170.7-179.90000107.3F54 M107 F111 V120 L121 V122F54-V69 HydrophobicContact CE1-CG1 3.89Å; V69-M107 HydrophobicContact CB-SD 4.46Å; V69-M107 HydrophobicContact CG1-CB 4.41Å; V69-M107 HydrophobicContact CG1-CG 3.65Å; V69-M107 HydrophobicContact CG1-SD 3.38Å; V69-M107 WeakPolarHBondContact CG1-SD 3.37Å; V69-M107 HydrophobicContact CG2-SD 4.3Å; V69-F111 HydrophobicContact CG2-CD2 3.67Å; V69-F111 HydrophobicContact CG2-CE2 3.45Å; V69-F111 VanDerWaalsContact CG2-CE2 3.45Å; V69-F111 HydrophobicContact CG2-CG 4.31Å; V69-F111 HydrophobicContact CG2-CZ 3.93Å; V69-V120 PolarHBondContact N-O 3.47Å; V69-L121 HydrophobicContact CB-CD1 3.77Å; V69-L121 HydrophobicContact CG1-CD1 3.56Å; V69-L121 WeakPolarHBondContact O-CA 3.47Å; V69-V122 PolarHBondContact O-N 3.01Å
70L98.3Very high95.1Very high5 Ų520.3 Ų20.33%0.02611%0.109CC..EExtended strand (participates in β ladder)trans-96.4121.3177.3179.4152.2000109.7Y36 C37 G38 A39 V122 N124 W127 D177 L181Y36-L70 HydrophobicContact CD2-CB 4.07Å; Y36-L70 HydrophobicContact CD2-CD1 4.29Å; Y36-L70 HydrophobicContact CE2-CD1 4.11Å; C37-L70 PolarHBondContact O-N 2.7Å; G38-L70 CarbonylContact C-O 3.51Å; G38-L70 VanDerWaalsContact CA-O 3.24Å; G38-L70 WeakPolarHBondContact CA-O 3.42Å; A39-L70 PolarHBondContact N-O 2.91Å; L70-V122 HydrophobicContact CB-CG2 3.94Å; L70-V122 HydrophobicContact CD1-CG2 4.43Å; L70-V122 HydrophobicContact CG-CG2 4.2Å; L70-N124 HydrophobicContact CD1-CB 4.19Å; L70-N124 HydrophobicContact CD2-CB 4.29Å; L70-N124 HydrophobicContact CG-CB 4.39Å; L70-W127 HydrophobicContact CD1-CH2 3.84Å; L70-W127 HydrophobicContact CD1-CZ2 3.69Å; L70-D177 HydrophobicContact CD1-CB 3.87Å; L70-L181 HydrophobicContact CD1-CD1 3.83Å
71I97.4Very high94.7Very high4 Ų420.3 Ų20.32%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-89.4125.6166.2-56.7-179.7000108.4P41 G73 I100 I103 S104 L121 V122 N123 N124P41-I71 HydrophobicContact CB-CG2 4.38Å; P41-I71 HydrophobicContact CG-CG2 4.43Å; I71-G73 PolarHBondContact O-N 3.13Å; I71-I100 HydrophobicContact CD1-CG2 4.1Å; I71-I100 HydrophobicContact CG2-CB 4.29Å; I71-I100 HydrophobicContact CG2-CG1 3.73Å; I71-I100 HydrophobicContact CG2-CG2 4.16Å; I71-I103 HydrophobicContact CD1-CG2 4.37Å; I71-I103 HydrophobicContact CG1-CG2 4.45Å; I71-S104 WeakPolarHBondContact CD1-OG 3.2Å; I71-L121 HydrophobicContact CD1-CD1 3.84Å; I71-L121 HydrophobicContact CD1-CD2 4.27Å; I71-L121 HydrophobicContact CD1-CG 4.26Å; I71-L121 HydrophobicContact CG1-CD1 3.87Å; I71-V122 PolarHBondContact N-O 2.82Å; I71-N123 WeakPolarHBondContact O-CA 3.49Å; I71-N123 PolarHBondContact O-OD1 3.31Å; I71-N124 PolarHBondContact O-N 3.38Å; I71-N124 VanDerWaalsContact O-N 3.09Å
72G96.4Very high94Very high0 Ų020.3 Ų20.30%011%0.11CC..  trans-78.954.8-177.600000113.6A39 P41 G74 T75 G76 N124A39-G72 PolarHBondContact O-N 2.8Å; P41-G72 WeakPolarHBondContact CD-O 3.39Å; G72-G74 VanDerWaalsContact C-N 3.28Å; G72-G74 PolarHBondContact O-N 2.99Å; G72-T75 WeakPolarHBondContact CA-OG1 3.4Å; G72-T75 PolarHBondContact O-N 2.91Å; G72-T75 PolarHBondContact O-OG1 2.76Å; G72-G76 WeakPolarHBondContact O-CA 3.45Å; G72-G76 PolarHBondContact O-N 2.93Å; G72-N124 WeakPolarHBondContact CA-OD1 3.38Å
73G95Very high93.2Very high0 Ų018.3 Ų18.30%012%0.119CC..THydrogen-bonded Turntrans-61.8-33.7-178.200000114I71 M77 N123 N124I71-G73 PolarHBondContact O-N 3.13Å; G73-M77 WeakPolarHBondContact O-CG 3.37Å; G73-N123 VanDerWaalsContact CA-OD1 3.25Å; G73-N123 WeakPolarHBondContact CA-OD1 3.49Å; G73-N123 PolarHBondContact N-OD1 3.41Å; G73-N123 VanDerWaalsContact N-OD1 3.13Å; G73-N124 PolarHBondContact N-OD1 3.31Å
74G94.3Very high92.4Very high13 Ų1319.5 Ų19.513%0.13412%0.123CC..THydrogen-bonded Turntrans-82.8-47.4172.100000112.8G72 G76 M77 N124G72-G74 VanDerWaalsContact C-N 3.28Å; G72-G74 PolarHBondContact O-N 2.99Å; G74-G76 VanDerWaalsContact C-N 3.33Å; G74-G76 PolarHBondContact O-N 2.99Å; G74-M77 WeakPolarHBondContact O-CB 3.46Å; G74-M77 PolarHBondContact O-N 3.43Å; G74-N124 PolarHBondContact N-OD1 3.48Å
75T93.9Very high91.6Very high1 Ų121.5 Ų21.51%0.00613%0.132CC..G310 helixtrans-65.7-33.8-179.644.40000113.1D40 G72 M77 I78 G79 N124 L128 Y170 L173D40-T75 VanDerWaalsContact OD1-CB 3.3Å; D40-T75 WeakPolarHBondContact OD1-CB 3.31Å; D40-T75 PolarHBondContact OD1-OG1 3.1Å; G72-T75 WeakPolarHBondContact CA-OG1 3.4Å; G72-T75 PolarHBondContact O-N 2.91Å; G72-T75 PolarHBondContact O-OG1 2.76Å; T75-M77 PolarHBondContact O-N 2.79Å; T75-I78 WeakPolarHBondContact O-CB 3.41Å; T75-I78 PolarHBondContact O-N 3.37Å; T75-G79 PolarHBondContact O-N 3.21Å; T75-N124 WeakPolarHBondContact CG2-ND2 3.3Å; T75-N124 PolarHBondContact OG1-ND2 3.3Å; T75-L128 HydrophobicContact CG2-CD1 4.13Å; T75-Y170 HydrophobicContact CG2-CE2 4.05Å; T75-L173 HydrophobicContact CG2-CB 3.95Å
76G91.3Very high90.9Very high11 Ų1128.4 Ų28.411%0.11316%0.164CC..G310 helixtrans-64.2-23.6175.200000114D40 G72 G74 I78D40-G76 PolarHBondContact OD1-N 3.38Å; G72-G76 WeakPolarHBondContact O-CA 3.45Å; G72-G76 PolarHBondContact O-N 2.93Å; G74-G76 VanDerWaalsContact C-N 3.33Å; G74-G76 PolarHBondContact O-N 2.99Å; G76-I78 VanDerWaalsContact C-N 3.25Å; G76-I78 PolarHBondContact O-N 2.73Å
77M89.3Confident90.1Very high46 Ų4630.5 Ų30.523%0.22718%0.177CC..G310 helixtrans-79-7.1172.2-64.1-179.2-178.200113.2G73 G74 T75 L90 E93 V96G73-M77 WeakPolarHBondContact O-CG 3.37Å; G74-M77 WeakPolarHBondContact O-CB 3.46Å; G74-M77 PolarHBondContact O-N 3.43Å; T75-M77 PolarHBondContact O-N 2.79Å; M77-L90 VanDerWaalsContact O-CD2 3.24Å; M77-L90 WeakPolarHBondContact O-CD2 3.47Å; M77-E93 HydrophobicContact CE-CB 4.32Å; M77-E93 HydrophobicContact CE-CG 3.88Å; M77-V96 HydrophobicContact CE-CB 4.19Å; M77-V96 HydrophobicContact CE-CG1 3.97Å; M77-V96 HydrophobicContact CE-CG2 4.44Å; M77-V96 HydrophobicContact CG-CG2 4.12Å
78I90Very high89.4Confident38 Ų3833.7 Ų33.720%0.19519%0.189CC..THydrogen-bonded Turntrans-110.2-48.4-178.3-56-60.2000110T75 G76 T166 Y170 L173T75-I78 WeakPolarHBondContact O-CB 3.41Å; T75-I78 PolarHBondContact O-N 3.37Å; G76-I78 VanDerWaalsContact C-N 3.25Å; G76-I78 PolarHBondContact O-N 2.73Å; I78-T166 HydrophobicContact CB-CG2 4.42Å; I78-T166 HydrophobicContact CD1-CG2 3.99Å; I78-T166 HydrophobicContact CG2-CG2 3.82Å; I78-T166 WeakPolarHBondContact CG2-O 3.25Å; I78-Y170 HydrophobicContact CB-CD2 4.41Å; I78-Y170 HydrophobicContact CG2-CD2 4.32Å; I78-L173 HydrophobicContact CB-CD1 4.25Å; I78-L173 HydrophobicContact CD1-CD1 4.48Å; I78-L173 HydrophobicContact CG1-CD1 3.63Å; I78-L173 HydrophobicContact CG2-CD1 4.21Å
79G88.5Confident88.6Confident3 Ų340.2 Ų40.23%0.03123%0.228CC..  trans92.9123.2177.400000113.9T75 P81 Y170T75-G79 PolarHBondContact O-N 3.21Å; G79-P81 WeakPolarHBondContact O-CD 3.34Å; G79-Y170 WeakPolarHBondContact O-CD2 3.33Å
80D90.8Very high88Confident7 Ų745.2 Ų45.24%0.03725%0.254CS..  trans-70.7121.2174.6-168-5.8000111.9S82 R88 Y170 Q196D80-S82 VanDerWaalsContact C-N 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3Å; D80-S82 PolarHBondContact OD1-OG 3.25Å; D80-R88 PolarHBondContact O-NE 2.7Å; D80-R88 VanDerWaalsContact O-NE 3.11Å; D80-R88 PolarHBondContact O-NH2 2.8Å; D80-Y170 HydrophobicContact CB-CD1 4.04Å; D80-Y170 HydrophobicContact CB-CD2 4.2Å; D80-Y170 HydrophobicContact CB-CE1 3.55Å; D80-Y170 HydrophobicContact CB-CE2 3.7Å; D80-Y170 HydrophobicContact CB-CG 4.37Å; D80-Q196 PolarHBondContact OD2-NE2 2.74Å
81P89.1Confident87.5Confident0 Ų047.7 Ų47.70%027%0.266CS..  trans-76.2-13.1174.431.2-35.6000113.8G79 G83 K84 R158 I163 E167G79-P81 WeakPolarHBondContact O-CD 3.34Å; P81-G83 PolarHBondContact O-N 2.75Å; P81-K84 PolarHBondContact O-N 3.21Å; P81-K84 VanDerWaalsContact O-N 3.15Å; P81-R158 HydrophobicContact CB-CG 4.21Å; P81-I163 HydrophobicContact CB-CD1 3.96Å; P81-I163 HydrophobicContact CG-CD1 4.05Å; P81-E167 HydrophobicContact CB-CB 4.25Å; P81-E167 HydrophobicContact CG-CB 4.33Å
82S82.9Confident87.2Confident4 Ų451.8 Ų51.83%0.02829%0.291CS..THydrogen-bonded Turntrans-61.4125.9-172.2-51.60000112.1D80 K84 S154 N199D80-S82 VanDerWaalsContact C-N 3.29Å; D80-S82 WeakPolarHBondContact OD1-CB 3.23Å; D80-S82 PolarHBondContact OD1-N 3Å; D80-S82 PolarHBondContact OD1-OG 3.25Å; S82-K84 PolarHBondContact O-N 3.1Å; S82-S154 WeakPolarHBondContact OG-CB 3.39Å; S82-N199 PolarHBondContact OG-ND2 3.09Å
83G77.6Confident87Confident67 Ų6757.2 Ų57.269%0.69132%0.317SS*.THydrogen-bonded Turntrans67.513.9-179.900000115.1P81P81-G83 PolarHBondContact O-N 2.75Å
84K80.7Confident86.9Confident102 Ų10265 Ų6544%0.44335%0.353SS..  trans-105.6157.9176.4-58.7-61.2-177.6177.90111.1P81 S82 R158P81-K84 PolarHBondContact O-N 3.21Å; P81-K84 VanDerWaalsContact O-N 3.15Å; S82-K84 PolarHBondContact O-N 3.1Å; K84-R158 WeakPolarHBondContact O-CD 3.14Å
85S79.2Confident86.9Confident73 Ų7367.9 Ų67.951%0.5136%0.363SS..SBendtrans-108.2-21.4172.9540000112.9
86E81.2Confident86.8Confident154 Ų15467.8 Ų67.872%0.7236%0.362SS*.SBendtrans-122151.3-174.8-65.9177.1-177.600110.3R158E86-R158 PolarHBondContact O-NH1 2.65Å; E86-R158 VanDerWaalsContact O-NH1 3.14Å
87E82.6Confident87Confident111 Ų11170.6 Ų70.652%0.51938%0.375SS..PPolyproline II helixtrans-68.1138.8174.6-178.4163.3-155.900110.6S164 E167E87-S164 WeakPolarHBondContact OE1-CB 3.3Å; E87-S164 PolarHBondContact OE1-OG 3.18Å; E87-E167 WeakPolarHBondContact CA-OE1 3.38Å; E87-E167 HydrophobicContact CG-CG 4.48Å
88R81.7Confident87.3Confident67 Ų6774 Ų7425%0.25339%0.388SS..PPolyproline II helixtrans-74144.4179.9-65.2-166.4-174.2-153.35.4111.9D80 L90 E167D80-R88 PolarHBondContact O-NE 2.7Å; D80-R88 VanDerWaalsContact O-NE 3.11Å; D80-R88 PolarHBondContact O-NH2 2.8Å; R88-L90 PolarHBondContact O-N 3.07Å; R88-E167 PolarHBondContact N-OE1 2.71Å
89V83.1Confident87.6Confident137 Ų13772.2 Ų72.283%0.8338%0.379SS*.PPolyproline II helixtrans-72.4122.3168.1-177.60000108.8
90L85.5Confident87.9Confident107 Ų10773 Ų7356%0.5638%0.382SS*.PPolyproline II helixtrans-66.6131.3176.7-62.7-178.3000110.7M77 R88M77-L90 VanDerWaalsContact O-CD2 3.24Å; M77-L90 WeakPolarHBondContact O-CD2 3.47Å; R88-L90 PolarHBondContact O-N 3.07Å
91Q87.6Confident88.1Confident57 Ų5777.8 Ų77.827%0.26641%0.405SS..PPolyproline II helixtrans-87.1152.2178-66.3-178.5-47.200111P41 T42 Q95 V96 N99P41-Q91 PolarHBondContact O-OE1 2.99Å; T42-Q91 PolarHBondContact O-NE2 3.41Å; Q91-Q95 HydrophobicContact CB-CB 4.36Å; Q91-Q95 HydrophobicContact CB-CG 4.35Å; Q91-Q95 HydrophobicContact CG-CG 4.42Å; Q91-V96 HydrophobicContact CB-CG2 3.74Å; Q91-N99 PolarHBondContact NE2-ND2 3.5Å; Q91-N99 PolarHBondContact OE1-ND2 3.49Å
92T91.2Very high88.4Confident90 Ų9078.5 Ų78.555%0.55241%0.412SS*.PPolyproline II helixtrans-70.2155.6170.460.90000110.1E94 Q95 V96T92-E94 VanDerWaalsContact C-N 3.26Å; T92-E94 PolarHBondContact O-N 3.23Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-Q95 VanDerWaalsContact O-N 3.1Å; T92-Q95 WeakPolarHBondContact OG1-CB 3.49Å; T92-Q95 PolarHBondContact OG1-N 3.11Å; T92-V96 WeakPolarHBondContact O-CG2 3.43Å; T92-V96 PolarHBondContact O-N 2.99Å
93E90.8Very high89.1Confident114 Ų11478.5 Ų78.553%0.53341%0.412SS..Hα-helixtrans-55.9-42.3175.8-64.9-166.6-169.400112M77 Q95 V96 D97 R125M77-E93 HydrophobicContact CE-CB 4.32Å; M77-E93 HydrophobicContact CE-CG 3.88Å; E93-Q95 VanDerWaalsContact C-N 3.32Å; E93-Q95 PolarHBondContact O-N 3.44Å; E93-V96 PolarHBondContact O-N 3.27Å; E93-D97 WeakPolarHBondContact O-CB 3.41Å; E93-D97 VanDerWaalsContact O-CG 3.3Å; E93-D97 PolarHBondContact O-N 3.37Å; E93-R125 IonicContact OE2-CZ 2.79Å; E93-R125 IonicContact OE2-NH2 3.08Å; E93-R125 PolarHBondContact OE2-NH2 3.5Å
94E94.1Very high89.9Confident164 Ų16476.5 Ų76.577%0.76639%0.387SS*.Hα-helixtrans-59.3-41.3176.7-174.6-178.1-179.100112.4T92 D97 K98T92-E94 VanDerWaalsContact C-N 3.26Å; T92-E94 PolarHBondContact O-N 3.23Å; E94-D97 PolarHBondContact O-N 3.43Å; E94-K98 PolarHBondContact O-N 2.94Å
95Q93.3Very high90.5Very high72 Ų7277.5 Ų77.534%0.33639%0.391SS..Hα-helixtrans-68.1-40.7177.1-176.263.36700111.3Q91 T92 E93 N99Q91-Q95 HydrophobicContact CB-CB 4.36Å; Q91-Q95 HydrophobicContact CB-CG 4.35Å; Q91-Q95 HydrophobicContact CG-CG 4.42Å; T92-Q95 PolarHBondContact O-N 3.39Å; T92-Q95 VanDerWaalsContact O-N 3.1Å; T92-Q95 WeakPolarHBondContact OG1-CB 3.49Å; T92-Q95 PolarHBondContact OG1-N 3.11Å; E93-Q95 VanDerWaalsContact C-N 3.32Å; E93-Q95 PolarHBondContact O-N 3.44Å; Q95-N99 PolarHBondContact NE2-OD1 3.22Å; Q95-N99 WeakPolarHBondContact O-CB 3.46Å; Q95-N99 PolarHBondContact O-N 2.85Å; Q95-N99 PolarHBondContact O-ND2 3.04Å; Q95-N99 PolarHBondContact O-OD1 2.92Å
96V92.9Very high91.3Very high0 Ų074.9 Ų74.90%037%0.371CS..Hα-helixtrans-62.7-45175.8171.40000110.4P41 M77 Q91 T92 E93 K98 N99 I100P41-V96 HydrophobicContact CG-CG1 3.96Å; M77-V96 HydrophobicContact CE-CB 4.19Å; M77-V96 HydrophobicContact CE-CG1 3.97Å; M77-V96 HydrophobicContact CE-CG2 4.44Å; M77-V96 HydrophobicContact CG-CG2 4.12Å; Q91-V96 HydrophobicContact CB-CG2 3.74Å; T92-V96 WeakPolarHBondContact O-CG2 3.43Å; T92-V96 PolarHBondContact O-N 2.99Å; E93-V96 PolarHBondContact O-N 3.27Å; V96-K98 PolarHBondContact O-N 2.85Å; V96-N99 WeakPolarHBondContact O-CB 3.28Å; V96-N99 PolarHBondContact O-N 2.93Å; V96-N99 VanDerWaalsContact O-N 3.09Å; V96-I100 HydrophobicContact CG1-CD1 3.7Å; V96-I100 HydrophobicContact CG1-CG1 4.26Å; V96-I100 WeakPolarHBondContact O-CG1 3.22Å; V96-I100 PolarHBondContact O-N 2.89Å
97D94.4Very high92Very high70 Ų7067.5 Ų67.537%0.37434%0.337SS..Hα-helixtrans-63.8-42.8179.5-70.4-24.4000111.8E93 E94 N99 I100 E101 R125E93-D97 WeakPolarHBondContact O-CB 3.41Å; E93-D97 VanDerWaalsContact O-CG 3.3Å; E93-D97 PolarHBondContact O-N 3.37Å; E94-D97 PolarHBondContact O-N 3.43Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 2.85Å; D97-I100 PolarHBondContact O-N 3.46Å; D97-E101 PolarHBondContact O-N 3.36Å; D97-R125 IonicContact OD1-NH1 2.8Å; D97-R125 PolarHBondContact OD1-NH1 3.37Å; D97-R125 IonicContact OD2-NH1 2.73Å; D97-R125 PolarHBondContact OD2-NH1 3.33Å
98K95.8Very high92.5Very high116 Ų11667.4 Ų67.450%0.50434%0.336SS..Hα-helixtrans-59.1-41.8171-177.7-179.8175.3-175.50111.7D44 E94 V96 E101 G102D44-K98 HydrophobicContact CB-CG 4.49Å; D44-K98 IonicContact OD2-NZ 2.71Å; E94-K98 PolarHBondContact O-N 2.94Å; V96-K98 PolarHBondContact O-N 2.85Å; K98-E101 PolarHBondContact O-N 3.14Å; K98-G102 PolarHBondContact O-N 3.27Å
99N95.8Very high92.9Very high1 Ų169.4 Ų69.41%0.00535%0.352CS..Hα-helixtrans-67.1-40.9-179.2-67.7-10.5000111.9P41 A43 D44 Q91 Q95 V96 D97 E101 G102 I103P41-N99 HydrophobicContact CB-CB 3.7Å; P41-N99 VanDerWaalsContact O-CB 3.3Å; P41-N99 WeakPolarHBondContact O-CB 3.47Å; P41-N99 PolarHBondContact O-ND2 2.86Å; A43-N99 VanDerWaalsContact C-OD1 3.29Å; A43-N99 WeakPolarHBondContact O-CB 3.34Å; D44-N99 PolarHBondContact N-OD1 3.18Å; Q91-N99 PolarHBondContact NE2-ND2 3.5Å; Q91-N99 PolarHBondContact OE1-ND2 3.49Å; Q95-N99 PolarHBondContact NE2-OD1 3.22Å; Q95-N99 WeakPolarHBondContact O-CB 3.46Å; Q95-N99 PolarHBondContact O-N 2.85Å; Q95-N99 PolarHBondContact O-ND2 3.04Å; Q95-N99 PolarHBondContact O-OD1 2.92Å; V96-N99 WeakPolarHBondContact O-CB 3.28Å; V96-N99 PolarHBondContact O-N 2.93Å; V96-N99 VanDerWaalsContact O-N 3.09Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 2.85Å; N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 3.4Å; N99-G102 PolarHBondContact O-N 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 3.2Å
100I95.2Very high93.5Very high20 Ų2063.1 Ų63.110%0.10331%0.314CS..Hα-helixtrans-58.6-45.4174.6-68.9163.5000110.3P41 I71 V96 D97 G102 I103 S104P41-I100 HydrophobicContact CB-CG1 3.97Å; P41-I100 HydrophobicContact CG-CG1 3.96Å; I71-I100 HydrophobicContact CD1-CG2 4.1Å; I71-I100 HydrophobicContact CG2-CB 4.29Å; I71-I100 HydrophobicContact CG2-CG1 3.73Å; I71-I100 HydrophobicContact CG2-CG2 4.16Å; V96-I100 HydrophobicContact CG1-CD1 3.7Å; V96-I100 HydrophobicContact CG1-CG1 4.26Å; V96-I100 WeakPolarHBondContact O-CG1 3.22Å; V96-I100 PolarHBondContact O-N 2.89Å; D97-I100 PolarHBondContact O-N 3.46Å; I100-G102 PolarHBondContact O-N 3.13Å; I100-I103 PolarHBondContact O-N 3.37Å; I100-S104 VanDerWaalsContact O-CB 3.25Å; I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 3.44Å; I100-S104 PolarHBondContact O-OG 3.45Å
101E95.8Very high94.1Very high108 Ų10858.5 Ų58.551%0.50529%0.289SS..Hα-helixtrans-60.2-47.3179.5-168.3-168.6158.200111.8D97 K98 N99 S104 K105D97-E101 PolarHBondContact O-N 3.36Å; K98-E101 PolarHBondContact O-N 3.14Å; N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 3.4Å; E101-S104 PolarHBondContact O-N 3.43Å; E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 2.91Å; E101-K105 VanDerWaalsContact O-N 3.12Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.21Å; E101-K105 IonicContact OE1-NZ 3.78Å; E101-K105 PolarHBondContact OE1-NZ 3.12Å
102G95.7Very high94.5Very high15 Ų1559.7 Ų59.716%0.15529%0.294CS..Hα-helixtrans-61.7-47.1179.100000113D44 K98 N99 I100 S104 K105 Q106D44-G102 WeakPolarHBondContact O-CA 3.49Å; K98-G102 PolarHBondContact O-N 3.27Å; N99-G102 PolarHBondContact O-N 3.45Å; I100-G102 PolarHBondContact O-N 3.13Å; G102-S104 PolarHBondContact O-N 3.26Å; G102-K105 PolarHBondContact O-N 2.98Å; G102-Q106 PolarHBondContact O-N 3.02Å
103I96.1Very high94.7Very high3 Ų358 Ų582%0.01528%0.28CS..Hα-helixtrans-65-41.4177.1-65.4172.8000110.7P41 L46 I71 N99 I100 K105 Q106 M107P41-I103 HydrophobicContact CB-CD1 3.94Å; L46-I103 HydrophobicContact CD1-CG2 4.37Å; L46-I103 HydrophobicContact CD2-CD1 4Å; L46-I103 HydrophobicContact CD2-CG1 4.14Å; L46-I103 HydrophobicContact CD2-CG2 4.42Å; L46-I103 HydrophobicContact CG-CG1 4.18Å; L46-I103 HydrophobicContact CG-CG2 4.26Å; I71-I103 HydrophobicContact CD1-CG2 4.37Å; I71-I103 HydrophobicContact CG1-CG2 4.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 3.2Å; I100-I103 PolarHBondContact O-N 3.37Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.82Å; I103-Q106 WeakPolarHBondContact O-CB 3.38Å; I103-Q106 PolarHBondContact O-N 2.99Å; I103-M107 HydrophobicContact CG2-CE 4.22Å; I103-M107 HydrophobicContact CG2-CG 4.35Å; I103-M107 WeakPolarHBondContact O-CG 3.35Å; I103-M107 PolarHBondContact O-N 3Å
104S95Very high94.8Very high26 Ų2656.6 Ų56.618%0.18230%0.296CS..Hα-helixtrans-57.2-42.9178.5-62.10000111.8I71 I100 E101 G102 Q106 M107 H108I71-S104 WeakPolarHBondContact CD1-OG 3.2Å; I100-S104 VanDerWaalsContact O-CB 3.25Å; I100-S104 WeakPolarHBondContact O-CB 3.34Å; I100-S104 PolarHBondContact O-N 3.44Å; I100-S104 PolarHBondContact O-OG 3.45Å; E101-S104 PolarHBondContact O-N 3.43Å; G102-S104 PolarHBondContact O-N 3.26Å; S104-Q106 VanDerWaalsContact C-N 3.33Å; S104-Q106 PolarHBondContact O-N 2.87Å; S104-M107 PolarHBondContact O-N 2.68Å; S104-H108 PolarHBondContact O-N 2.88Å; S104-H108 PolarHBondContact O-ND1 3.26Å
105K94.4Very high94.6Very high122 Ų12251.4 Ų51.453%0.5328%0.275SS..Hα-helixtrans-61-41.5175.9-71.3172.3-174.71670111.8E101 G102 I103 M107 H108E101-K105 WeakPolarHBondContact O-CG 3.37Å; E101-K105 PolarHBondContact O-N 2.91Å; E101-K105 VanDerWaalsContact O-N 3.12Å; E101-K105 VanDerWaalsContact OE1-CE 3.28Å; E101-K105 WeakPolarHBondContact OE1-CE 3.21Å; E101-K105 IonicContact OE1-NZ 3.78Å; E101-K105 PolarHBondContact OE1-NZ 3.12Å; G102-K105 PolarHBondContact O-N 2.98Å; I103-K105 VanDerWaalsContact C-N 3.3Å; I103-K105 PolarHBondContact O-N 2.82Å; K105-M107 VanDerWaalsContact C-N 3.33Å; K105-M107 PolarHBondContact O-N 3.08Å; K105-H108 PolarHBondContact O-N 3.07Å
106Q95.5Very high94.2Very high18 Ų1855.2 Ų55.28%0.08430%0.298CS..Hα-helixtrans-66.1-34.8178.4-67.2177-27.900112.7S45 G102 I103 S104 H108 N109 I110S45-Q106 PolarHBondContact OG-NE2 3.22Å; G102-Q106 PolarHBondContact O-N 3.02Å; I103-Q106 WeakPolarHBondContact O-CB 3.38Å; I103-Q106 PolarHBondContact O-N 2.99Å; S104-Q106 VanDerWaalsContact C-N 3.33Å; S104-Q106 PolarHBondContact O-N 2.87Å; Q106-H108 VanDerWaalsContact C-N 3.29Å; Q106-H108 PolarHBondContact O-N 3.09Å; Q106-N109 PolarHBondContact O-N 2.68Å; Q106-N109 VanDerWaalsContact O-N 3.12Å; Q106-I110 PolarHBondContact O-N 2.85Å
107M95.5Very high93.8Very high0 Ų058.1 Ų58.10%031%0.312CS..Hα-helixtrans-63.5-35.8178-64.1-62.1113.500112.3L46 F54 V69 I103 S104 K105 N109 I110 F111 F113 L121L46-M107 HydrophobicContact CD1-CE 3.24Å; L46-M107 HydrophobicContact CG-CE 4.41Å; F54-M107 HydrophobicContact CD1-SD 4.07Å; F54-M107 HydrophobicContact CD2-CE 4.17Å; F54-M107 HydrophobicContact CE1-SD 4.03Å; F54-M107 HydrophobicContact CE2-CE 4.13Å; F54-M107 HydrophobicContact CG-CE 4.44Å; F54-M107 HydrophobicContact CG-SD 4.37Å; F54-M107 HydrophobicContact CZ-CE 4.37Å; F54-M107 HydrophobicContact CZ-SD 4.26Å; V69-M107 HydrophobicContact CB-SD 4.46Å; V69-M107 HydrophobicContact CG1-CB 4.41Å; V69-M107 HydrophobicContact CG1-CG 3.65Å; V69-M107 HydrophobicContact CG1-SD 3.38Å; V69-M107 WeakPolarHBondContact CG1-SD 3.37Å; V69-M107 HydrophobicContact CG2-SD 4.3Å; I103-M107 HydrophobicContact CG2-CE 4.22Å; I103-M107 HydrophobicContact CG2-CG 4.35Å; I103-M107 WeakPolarHBondContact O-CG 3.35Å; I103-M107 PolarHBondContact O-N 3Å; S104-M107 PolarHBondContact O-N 2.68Å; K105-M107 VanDerWaalsContact C-N 3.33Å; K105-M107 PolarHBondContact O-N 3.08Å; M107-N109 PolarHBondContact O-N 3.43Å; M107-I110 HydrophobicContact CE-CD1 3.98Å; M107-I110 PolarHBondContact O-N 3.47Å; M107-I110 VanDerWaalsContact O-N 3.13Å; M107-F111 PolarHBondContact O-N 3.12Å; M107-F111 HydrophobicContact SD-CD2 4.37Å; M107-F111 HydrophobicContact SD-CE2 4.09Å; M107-F113 HydrophobicContact CB-CZ 4.39Å; M107-F113 WeakPolarHBondContact O-CE2 3.41Å; M107-L121 HydrophobicContact CB-CD1 4.26Å; M107-L121 HydrophobicContact CG-CD1 4.14Å
108H93.1Very high93.8Very high108 Ų10855 Ų5550%0.530%0.296SS..Hα-helixtrans-65-20.2175.7-7183.7000113.7S104 K105 Q106S104-H108 PolarHBondContact O-N 2.88Å; S104-H108 PolarHBondContact O-ND1 3.26Å; K105-H108 PolarHBondContact O-N 3.07Å; Q106-H108 VanDerWaalsContact C-N 3.29Å; Q106-H108 PolarHBondContact O-N 3.09Å
109N91.3Very high93.9Very high109 Ų10949.8 Ų49.858%0.58327%0.274SS*.Hα-helixtrans-86.5-26.8174-65.3-11.4000112.4Q106 M107Q106-N109 PolarHBondContact O-N 2.68Å; Q106-N109 VanDerWaalsContact O-N 3.12Å; M107-N109 PolarHBondContact O-N 3.43Å
110I95.8Very high94Very high6 Ų652 Ų523%0.03129%0.287CS..Hα-helixtrans-89.3-31.6-175.9-63.9170.5000111.6L51 F54 R58 Q106 M107 L242 F306 I307L51-I110 HydrophobicContact CD1-CD1 3.99Å; F54-I110 HydrophobicContact CB-CG2 4.37Å; R58-I110 WeakPolarHBondContact CD-O 3.5Å; Q106-I110 PolarHBondContact O-N 2.85Å; M107-I110 HydrophobicContact CE-CD1 3.98Å; M107-I110 PolarHBondContact O-N 3.47Å; M107-I110 VanDerWaalsContact O-N 3.13Å; I110-L242 HydrophobicContact CD1-CD1 4.42Å; I110-F306 HydrophobicContact CG1-CE1 4.39Å; I110-F306 HydrophobicContact CG2-CE1 4.24Å; I110-F306 HydrophobicContact CG2-CZ 4.38Å; I110-I307 HydrophobicContact CG1-CD1 4.4Å
111F96.9Very high94.1Very high9 Ų953.4 Ų53.44%0.03930%0.295CS..SBendtrans-122.3147.8-173.2-65.2-81.7000112.4F54 L57 R58 P67 V69 M107 F113 A119F54-F111 HydrophobicContact CB-CE2 4.1Å; F54-F111 HydrophobicContact CB-CZ 4.07Å; F54-F111 AromaticContact CD1-CE2 3.96Å; F54-F111 HydrophobicContact CD1-CE2 3.96Å; F54-F111 HydrophobicContact CD1-CZ 4.11Å; F54-F111 HydrophobicContact CG-CE2 4.38Å; F54-F111 VanDerWaalsContact O-CZ 3.28Å; F54-F111 WeakPolarHBondContact O-CZ 3.35Å; L57-F111 HydrophobicContact CB-CE1 3.73Å; L57-F111 HydrophobicContact CB-CZ 3.71Å; L57-F111 HydrophobicContact CD2-CZ 4.33Å; R58-F111 HydrophobicContact CB-CD1 4.4Å; R58-F111 HydrophobicContact CB-CE1 4Å; P67-F111 HydrophobicContact CB-CD1 4.3Å; P67-F111 HydrophobicContact CB-CE1 3.98Å; P67-F111 HydrophobicContact CG-CD1 3.87Å; P67-F111 HydrophobicContact CG-CE1 4.02Å; V69-F111 HydrophobicContact CG2-CD2 3.67Å; V69-F111 HydrophobicContact CG2-CE2 3.45Å; V69-F111 VanDerWaalsContact CG2-CE2 3.45Å; V69-F111 HydrophobicContact CG2-CG 4.31Å; V69-F111 HydrophobicContact CG2-CZ 3.93Å; M107-F111 PolarHBondContact O-N 3.12Å; M107-F111 HydrophobicContact SD-CD2 4.37Å; M107-F111 HydrophobicContact SD-CE2 4.09Å; F111-F113 HydrophobicContact CB-CD2 4.24Å; F111-F113 HydrophobicContact CB-CE2 3.57Å; F111-F113 HydrophobicContact CB-CZ 3.94Å; F111-F113 VanDerWaalsContact O-CD2 3.26Å; F111-F113 WeakPolarHBondContact O-CD2 3.5Å; F111-F113 WeakPolarHBondContact O-CE2 3.32Å; F111-A119 HydrophobicContact CB-CB 3.61Å; F111-A119 HydrophobicContact CD1-CB 4.11Å; F111-A119 HydrophobicContact CG-CB 3.97Å
112E95.3Very high94.2Very high82 Ų8249.3 Ų49.338%0.38328%0.278SS..  trans-83.1132.9166.3-178.2175.1-170.800109.2R58 Q61 T115 G118 A119R58-E112 VanDerWaalsContact NH1-N 3.15Å; Q61-E112 PolarHBondContact NE2-O 3.16Å; E112-T115 HydrophobicContact CG-CG2 4.06Å; E112-T115 WeakPolarHBondContact OE1-CG2 3.28Å; E112-G118 CarbonylContact O-C 3.44Å; E112-G118 WeakPolarHBondContact O-CA 3.36Å; E112-A119 PolarHBondContact O-N 2.92Å
113F95.7Very high94.3Very high55 Ų5549.9 Ų49.924%0.24128%0.277CS..BIsolated β-bridgetrans-117.9158.4178.8-68.2-96000110.2M107 F111 T115 A119 L121M107-F113 HydrophobicContact CB-CZ 4.39Å; M107-F113 WeakPolarHBondContact O-CE2 3.41Å; F111-F113 HydrophobicContact CB-CD2 4.24Å; F111-F113 HydrophobicContact CB-CE2 3.57Å; F111-F113 HydrophobicContact CB-CZ 3.94Å; F111-F113 VanDerWaalsContact O-CD2 3.26Å; F111-F113 WeakPolarHBondContact O-CD2 3.5Å; F111-F113 WeakPolarHBondContact O-CE2 3.32Å; F113-T115 PolarHBondContact O-N 2.96Å; F113-A119 HydrophobicContact CD1-CB 3.91Å; F113-A119 WeakPolarHBondContact CD1-O 3.41Å; F113-A119 HydrophobicContact CE1-CB 3.58Å; F113-A119 HydrophobicContact CE2-CB 4.31Å; F113-A119 HydrophobicContact CG-CB 4.39Å; F113-A119 HydrophobicContact CZ-CB 3.8Å; F113-L121 HydrophobicContact CE1-CB 3.9Å; F113-L121 HydrophobicContact CZ-CB 4.45Å
114G92.9Very high94.4Very high85 Ų8549.8 Ų49.888%0.87628%0.276SS*.SBendtrans78.711.7171.800000116
115T90.5Very high94.4Very high54 Ų5452 Ų5233%0.33128%0.281SS..SBendtrans-108.6172.3171.365.60000111.5E112 F113 H117 G118E112-T115 HydrophobicContact CG-CG2 4.06Å; E112-T115 WeakPolarHBondContact OE1-CG2 3.28Å; F113-T115 PolarHBondContact O-N 2.96Å; T115-H117 PolarHBondContact O-N 3.24Å; T115-G118 WeakPolarHBondContact O-CA 3.32Å; T115-G118 PolarHBondContact O-N 2.89Å; T115-G118 VanDerWaalsContact OG1-CA 3.31Å; T115-G118 WeakPolarHBondContact OG1-CA 3.48Å; T115-G118 PolarHBondContact OG1-N 3.19Å
116D83.9Confident94.6Very high152 Ų15251.3 Ų51.381%0.81328%0.283SS*.THydrogen-bonded Turntrans-59.1-29.5-179.2-69.1-16000113.5
117H86.1Confident94.7Very high62 Ų6251.6 Ų51.629%0.28728%0.283SS..THydrogen-bonded Turntrans-112.917.9173.158-78.5000111.4Q61 T115Q61-H117 PolarHBondContact NE2-O 2.88Å; T115-H117 PolarHBondContact O-N 3.24Å
118G93.7Very high94.8Very high4 Ų452.6 Ų52.64%0.04129%0.288CS..  trans-62145.3178.300000110.8R66 E112 T115R66-G118 WeakPolarHBondContact CG-O 3.24Å; E112-G118 CarbonylContact O-C 3.44Å; E112-G118 WeakPolarHBondContact O-CA 3.36Å; T115-G118 WeakPolarHBondContact O-CA 3.32Å; T115-G118 PolarHBondContact O-N 2.89Å; T115-G118 VanDerWaalsContact OG1-CA 3.31Å; T115-G118 WeakPolarHBondContact OG1-CA 3.48Å; T115-G118 PolarHBondContact OG1-N 3.19Å
119A97.6Very high94.8Very high7 Ų750.1 Ų50.16%0.05829%0.293CS..BIsolated β-bridgetrans-61.4154.7174.800000110.9P67 F111 E112 F113P67-A119 HydrophobicContact CG-CB 3.73Å; P67-A119 CarbonylContact O-C 3.58Å; P67-A119 VanDerWaalsContact O-CA 3.23Å; P67-A119 WeakPolarHBondContact O-CA 3.4Å; F111-A119 HydrophobicContact CB-CB 3.61Å; F111-A119 HydrophobicContact CD1-CB 4.11Å; F111-A119 HydrophobicContact CG-CB 3.97Å; E112-A119 PolarHBondContact O-N 2.92Å; F113-A119 HydrophobicContact CD1-CB 3.91Å; F113-A119 WeakPolarHBondContact CD1-O 3.41Å; F113-A119 HydrophobicContact CE1-CB 3.58Å; F113-A119 HydrophobicContact CE2-CB 4.31Å; F113-A119 HydrophobicContact CG-CB 4.39Å; F113-A119 HydrophobicContact CZ-CB 3.8Å
120V97.4Very high95.1Very high46 Ų4652.6 Ų52.628%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-118.1124.5170.4-173.90000108.3P67 I68 V69 V122 L185P67-V120 PolarHBondContact O-N 3.24Å; I68-V120 CarbonylContact C-O 3.53Å; I68-V120 WeakPolarHBondContact CA-O 3.45Å; I68-V120 HydrophobicContact CG1-CB 4.4Å; V69-V120 PolarHBondContact N-O 3.47Å; V120-V122 HydrophobicContact CG1-CG1 3.79Å; V120-L185 HydrophobicContact CG1-CD1 4.5Å
121L97.3Very high95.1Very high51 Ų5154.2 Ų54.227%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-94.2123.8173.3-171.265.2000108.8V69 I71 M107 F113V69-L121 HydrophobicContact CB-CD1 3.77Å; V69-L121 HydrophobicContact CG1-CD1 3.56Å; V69-L121 WeakPolarHBondContact O-CA 3.47Å; I71-L121 HydrophobicContact CD1-CD1 3.84Å; I71-L121 HydrophobicContact CD1-CD2 4.27Å; I71-L121 HydrophobicContact CD1-CG 4.26Å; I71-L121 HydrophobicContact CG1-CD1 3.87Å; M107-L121 HydrophobicContact CB-CD1 4.26Å; M107-L121 HydrophobicContact CG-CD1 4.14Å; F113-L121 HydrophobicContact CE1-CB 3.9Å; F113-L121 HydrophobicContact CZ-CB 4.45Å
122V97.9Very high95.2Very high22 Ų2256.6 Ų56.613%0.13333%0.327CS..EExtended strand (participates in β ladder)trans-130.5156.7-179.4-59.60000110.8I68 V69 L70 I71 V120 W127 L181 L185I68-V122 HydrophobicContact CG2-CG1 4.34Å; I68-V122 HydrophobicContact CG2-CG2 3.61Å; V69-V122 PolarHBondContact O-N 3.01Å; L70-V122 HydrophobicContact CB-CG2 3.94Å; L70-V122 HydrophobicContact CD1-CG2 4.43Å; L70-V122 HydrophobicContact CG-CG2 4.2Å; I71-V122 PolarHBondContact N-O 2.82Å; V120-V122 HydrophobicContact CG1-CG1 3.79Å; V122-W127 HydrophobicContact CB-CH2 4.36Å; V122-W127 HydrophobicContact CB-CZ3 4.32Å; V122-W127 HydrophobicContact CG2-CH2 4.05Å; V122-W127 HydrophobicContact CG2-CZ3 4.5Å; V122-L181 HydrophobicContact CG2-CD2 4.06Å; V122-L185 HydrophobicContact CG1-CD1 4.13Å
123N97.8Very high95.2Very high27 Ų2758.6 Ų58.614%0.14434%0.339CS..EExtended strand (participates in β ladder)trans-122.3122.3175.7-175.1-10.7000110.3I71 G73 R125 D126 W127I71-N123 WeakPolarHBondContact O-CA 3.49Å; I71-N123 PolarHBondContact O-OD1 3.31Å; G73-N123 VanDerWaalsContact CA-OD1 3.25Å; G73-N123 WeakPolarHBondContact CA-OD1 3.49Å; G73-N123 PolarHBondContact N-OD1 3.41Å; G73-N123 VanDerWaalsContact N-OD1 3.13Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 VanDerWaalsContact O-N 3.13Å; N123-R125 VanDerWaalsContact OD1-CB 3.29Å; N123-R125 WeakPolarHBondContact OD1-CB 3.3Å; N123-R125 PolarHBondContact OD1-N 3.41Å; N123-D126 VanDerWaalsContact O-CB 3.26Å; N123-D126 WeakPolarHBondContact O-CB 3.39Å; N123-D126 VanDerWaalsContact O-CG 3.23Å; N123-D126 PolarHBondContact O-N 2.55Å; N123-W127 VanDerWaalsContact O-CZ3 3.28Å; N123-W127 WeakPolarHBondContact O-CZ3 3.3Å
124N97.9Very high95.3Very high0 Ų062 Ų620%036%0.359CS..THydrogen-bonded Turntrans-67.7-13.5-179.168.84.1000114.6L70 I71 G72 G73 G74 T75 D126 W127 L128 D177L70-N124 HydrophobicContact CD1-CB 4.19Å; L70-N124 HydrophobicContact CD2-CB 4.29Å; L70-N124 HydrophobicContact CG-CB 4.39Å; I71-N124 PolarHBondContact O-N 3.38Å; I71-N124 VanDerWaalsContact O-N 3.09Å; G72-N124 WeakPolarHBondContact CA-OD1 3.38Å; G73-N124 PolarHBondContact N-OD1 3.31Å; G74-N124 PolarHBondContact N-OD1 3.48Å; T75-N124 WeakPolarHBondContact CG2-ND2 3.3Å; T75-N124 PolarHBondContact OG1-ND2 3.3Å; N124-D126 PolarHBondContact O-N 3.1Å; N124-W127 VanDerWaalsContact CA-CE2 3.48Å; N124-W127 VanDerWaalsContact CA-CH2 3.45Å; N124-W127 HydrophobicContact CB-CD2 4.37Å; N124-W127 HydrophobicContact CB-CH2 3.8Å; N124-W127 HydrophobicContact CB-CZ2 3.21Å; N124-W127 PolarHBondContact O-N 2.83Å; N124-L128 HydrophobicContact CB-CD1 3.97Å; N124-L128 HydrophobicContact CB-CG 4.3Å; N124-L128 WeakPolarHBondContact O-CB 3.16Å; N124-L128 VanDerWaalsContact O-CG 3.27Å; N124-L128 WeakPolarHBondContact O-CG 3.45Å; N124-L128 PolarHBondContact O-N 3.49Å; N124-D177 WeakPolarHBondContact CB-OD1 3.48Å; N124-D177 PolarHBondContact ND2-OD2 3.34Å
125R96.2Very high95.5Very high72 Ų7259.8 Ų59.827%0.27233%0.33SS..Hα-helixtrans-55.9-30.9168-168.4177.8-178.6177.73.6111.6E93 D97 N123 W127 G129E93-R125 IonicContact OE2-CZ 2.79Å; E93-R125 IonicContact OE2-NH2 3.08Å; E93-R125 PolarHBondContact OE2-NH2 3.5Å; D97-R125 IonicContact OD1-NH1 2.8Å; D97-R125 PolarHBondContact OD1-NH1 3.37Å; D97-R125 IonicContact OD2-NH1 2.73Å; D97-R125 PolarHBondContact OD2-NH1 3.33Å; N123-R125 PolarHBondContact O-N 3.06Å; N123-R125 VanDerWaalsContact O-N 3.13Å; N123-R125 VanDerWaalsContact OD1-CB 3.29Å; N123-R125 WeakPolarHBondContact OD1-CB 3.3Å; N123-R125 PolarHBondContact OD1-N 3.41Å; R125-W127 VanDerWaalsContact C-N 3.33Å; R125-W127 PolarHBondContact O-N 3.09Å; R125-G129 WeakPolarHBondContact O-CA 3.36Å; R125-G129 PolarHBondContact O-N 3.19Å
126D97.3Very high95.8Very high108 Ų10858.2 Ų58.258%0.57832%0.318SS*.Hα-helixtrans-63.1-36.1-175.3-63.6-19000112.7N123 N124 Q130N123-D126 VanDerWaalsContact O-CB 3.26Å; N123-D126 WeakPolarHBondContact O-CB 3.39Å; N123-D126 VanDerWaalsContact O-CG 3.23Å; N123-D126 PolarHBondContact O-N 2.55Å; N124-D126 PolarHBondContact O-N 3.1Å; D126-Q130 WeakPolarHBondContact O-CG 3.35Å
127W97.8Very high96.4Very high24 Ų2454.6 Ų54.69%0.09130%0.299CS..Hα-helixtrans-104.4-41.5175.757.488.5000112.7L70 V122 N123 N124 R125 G129 Q130 I131 D177 H180 L181L70-W127 HydrophobicContact CD1-CH2 3.84Å; L70-W127 HydrophobicContact CD1-CZ2 3.69Å; V122-W127 HydrophobicContact CB-CH2 4.36Å; V122-W127 HydrophobicContact CB-CZ3 4.32Å; V122-W127 HydrophobicContact CG2-CH2 4.05Å; V122-W127 HydrophobicContact CG2-CZ3 4.5Å; N123-W127 VanDerWaalsContact O-CZ3 3.28Å; N123-W127 WeakPolarHBondContact O-CZ3 3.3Å; N124-W127 VanDerWaalsContact CA-CE2 3.48Å; N124-W127 VanDerWaalsContact CA-CH2 3.45Å; N124-W127 HydrophobicContact CB-CD2 4.37Å; N124-W127 HydrophobicContact CB-CH2 3.8Å; N124-W127 HydrophobicContact CB-CZ2 3.21Å; N124-W127 PolarHBondContact O-N 2.83Å; R125-W127 VanDerWaalsContact C-N 3.33Å; R125-W127 PolarHBondContact O-N 3.09Å; W127-G129 VanDerWaalsContact C-N 3.27Å; W127-G129 PolarHBondContact O-N 3.43Å; W127-Q130 PolarHBondContact O-N 3.35Å; W127-I131 WeakPolarHBondContact O-CG1 3.33Å; W127-D177 HydrophobicContact CZ2-CB 4.16Å; W127-D177 PolarHBondContact NE1-OD1 2.79Å; W127-H180 HydrophobicContact CD2-CB 4.47Å; W127-H180 AromaticContact CD2-CD2 3.42Å; W127-H180 VanDerWaalsContact CD2-CD2 3.42Å; W127-H180 AromaticContact CD2-CG 3.82Å; W127-H180 AromaticContact CD2-NE2 3.68Å; W127-H180 AromaticContact CE2-CD2 3.78Å; W127-H180 AromaticContact CE3-CD2 3.44Å; W127-H180 VanDerWaalsContact CE3-CD2 3.44Å; W127-H180 AromaticContact CE3-NE2 3.39Å; W127-H180 HydrophobicContact CG-CB 4.43Å; W127-H180 AromaticContact CG-CD2 3.91Å; W127-H180 AromaticContact CG-CG 3.85Å; W127-H180 AromaticContact CG-ND1 3.94Å; W127-H180 AromaticContact CZ3-CD2 3.82Å; W127-H180 AromaticContact CZ3-NE2 3.98Å; W127-L181 HydrophobicContact CH2-CD2 4.04Å
128L97.3Very high96.9Very high21 Ų2158.8 Ų58.811%0.1131%0.312CS..Hα-helixtrans-62.5-36.7-179.3-64.6-179.2000111.6T75 N124 Q130 I131 L173 I176T75-L128 HydrophobicContact CG2-CD1 4.13Å; N124-L128 HydrophobicContact CB-CD1 3.97Å; N124-L128 HydrophobicContact CB-CG 4.3Å; N124-L128 WeakPolarHBondContact O-CB 3.16Å; N124-L128 VanDerWaalsContact O-CG 3.27Å; N124-L128 WeakPolarHBondContact O-CG 3.45Å; N124-L128 PolarHBondContact O-N 3.49Å; L128-Q130 PolarHBondContact O-N 3.12Å; L128-I131 HydrophobicContact CD2-CD1 4.12Å; L128-I131 PolarHBondContact O-N 3.31Å; L128-L173 HydrophobicContact CD1-CB 4.26Å; L128-L173 HydrophobicContact CD1-CD2 4.48Å; L128-L173 HydrophobicContact CD2-CD2 4.08Å; L128-I176 HydrophobicContact CD2-CB 4.13Å; L128-I176 HydrophobicContact CD2-CD1 4.42Å; L128-I176 HydrophobicContact CD2-CG2 3.74Å
129G95Very high97Very high57 Ų5760.9 Ų60.959%0.58832%0.322SS*.THydrogen-bonded Turntrans-66.4-15.9176.900000114.4R125 W127R125-G129 WeakPolarHBondContact O-CA 3.36Å; R125-G129 PolarHBondContact O-N 3.19Å; W127-G129 VanDerWaalsContact C-N 3.27Å; W127-G129 PolarHBondContact O-N 3.43Å
130Q96.2Very high97Very high160 Ų16062.7 Ų62.775%0.74833%0.328SS*.THydrogen-bonded Turntrans-94.2-10.5178.6-55.1-57.8-42.400112.9D126 W127 L128 S132D126-Q130 WeakPolarHBondContact O-CG 3.35Å; W127-Q130 PolarHBondContact O-N 3.35Å; L128-Q130 PolarHBondContact O-N 3.12Å; Q130-S132 PolarHBondContact O-N 3.49Å
131I97.2Very high96.9Very high40 Ų4061.4 Ų61.421%0.20532%0.324CS..  trans-84.5110.8-177.5-61170.6000109W127 L128 F136 Y140 I176W127-I131 WeakPolarHBondContact O-CG1 3.33Å; L128-I131 HydrophobicContact CD2-CD1 4.12Å; L128-I131 PolarHBondContact O-N 3.31Å; I131-F136 HydrophobicContact CG2-CB 3.77Å; I131-Y140 HydrophobicContact CD1-CE2 3.85Å; I131-Y140 HydrophobicContact CG1-CE2 4.49Å; I131-Y140 HydrophobicContact CG2-CE2 4.24Å; I131-I176 HydrophobicContact CD1-CD1 4.41Å; I131-I176 HydrophobicContact CD1-CG2 4Å
132S97.4Very high96.8Very high60 Ų6065.5 Ų65.542%0.4234%0.34SS..  trans-61.7152.3171.4810000111.1Q130 I134 S135 F136Q130-S132 PolarHBondContact O-N 3.49Å; S132-I134 PolarHBondContact O-N 2.96Å; S132-I134 VanDerWaalsContact O-N 3.17Å; S132-S135 CarbonylContact O-C 3.44Å; S132-S135 WeakPolarHBondContact O-CA 3.16Å; S132-S135 WeakPolarHBondContact O-CB 3.38Å; S132-S135 PolarHBondContact O-N 3.38Å; S132-S135 WeakPolarHBondContact OG-CB 3.37Å; S132-S135 PolarHBondContact OG-N 2.82Å; S132-S135 VanDerWaalsContact OG-N 3.08Å; S132-S135 PolarHBondContact OG-OG 3.37Å; S132-F136 PolarHBondContact O-N 3.21Å
133L96.6Very high96.7Very high123 Ų12366.2 Ų66.264%0.64434%0.341SS*.Hα-helixtrans-53.4-39.7176.317861.9000112.5F136 L137L133-F136 PolarHBondContact O-N 3.43Å; L133-L137 HydrophobicContact CD1-CD1 4.14Å; L133-L137 HydrophobicContact CD1-CG 4.23Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.29Å
134I97.3Very high96.5Very high127 Ų12766 Ų6665%0.65134%0.341SS*.Hα-helixtrans-65.6-44.6178.1-61.6178.1000110.4S132 L137 R138S132-I134 PolarHBondContact O-N 2.96Å; S132-I134 VanDerWaalsContact O-N 3.17Å; I134-L137 PolarHBondContact O-N 2.81Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.44Å
135S97Very high96.2Very high38 Ų3867.6 Ų67.627%0.26636%0.358SS..Hα-helixtrans-61.4-43.9175.3-60.50000111.3S132 L137 R138 D139S132-S135 CarbonylContact O-C 3.44Å; S132-S135 WeakPolarHBondContact O-CA 3.16Å; S132-S135 WeakPolarHBondContact O-CB 3.38Å; S132-S135 PolarHBondContact O-N 3.38Å; S132-S135 WeakPolarHBondContact OG-CB 3.37Å; S132-S135 PolarHBondContact OG-N 2.82Å; S132-S135 VanDerWaalsContact OG-N 3.08Å; S132-S135 PolarHBondContact OG-OG 3.37Å; S135-L137 PolarHBondContact O-N 3.33Å; S135-R138 PolarHBondContact O-N 3.33Å; S135-D139 WeakPolarHBondContact O-CA 3.39Å; S135-D139 WeakPolarHBondContact O-CB 3.23Å; S135-D139 PolarHBondContact O-N 2.97Å
136F97.4Very high96.1Very high21 Ų2168.3 Ų68.39%0.09237%0.37CS..Iπ-helixtrans-54.9-54.8176.7173.8-101.9000111.6I131 S132 L133 R138 Y140 G141 T169 I172 L173 I176I131-F136 HydrophobicContact CG2-CB 3.77Å; S132-F136 PolarHBondContact O-N 3.21Å; L133-F136 PolarHBondContact O-N 3.43Å; F136-R138 PolarHBondContact O-N 3.13Å; F136-Y140 WeakPolarHBondContact O-CB 3.33Å; F136-Y140 PolarHBondContact O-N 2.91Å; F136-Y140 VanDerWaalsContact O-N 3.16Å; F136-G141 PolarHBondContact O-N 3.36Å; F136-T169 HydrophobicContact CE1-CG2 4.2Å; F136-T169 HydrophobicContact CZ-CG2 4.21Å; F136-I172 HydrophobicContact CE2-CB 4.15Å; F136-I172 HydrophobicContact CE2-CG2 3.64Å; F136-I172 HydrophobicContact CZ-CB 4.05Å; F136-I172 HydrophobicContact CZ-CD1 4.22Å; F136-I172 HydrophobicContact CZ-CG2 3.86Å; F136-L173 HydrophobicContact CD2-CD2 4.21Å; F136-L173 HydrophobicContact CE2-CD2 3.73Å; F136-L173 HydrophobicContact CE2-CG 4.44Å; F136-I176 HydrophobicContact CD2-CD1 3.88Å; F136-I176 HydrophobicContact CE2-CD1 3.89Å
137L96.5Very high95.9Very high77 Ų7769.9 Ų69.940%0.40338%0.378SS..Iπ-helixtrans-65.3-42.1-177.4-66.3173.3000112.3L133 I134 S135 G141 K142L133-L137 HydrophobicContact CD1-CD1 4.14Å; L133-L137 HydrophobicContact CD1-CG 4.23Å; L133-L137 HydrophobicContact CG-CD1 4.18Å; L133-L137 WeakPolarHBondContact O-CG 3.48Å; L133-L137 PolarHBondContact O-N 3.29Å; I134-L137 PolarHBondContact O-N 2.81Å; S135-L137 PolarHBondContact O-N 3.33Å; L137-G141 CarbonylContact O-C 3.57Å; L137-G141 WeakPolarHBondContact O-CA 3.49Å; L137-G141 PolarHBondContact O-N 3.07Å; L137-K142 PolarHBondContact O-N 3.46Å
138R96.4Very high95.7Very high149 Ų14971.8 Ų71.856%0.56239%0.386SS*.Iπ-helixtrans-81.7-39.3-173.9-168.8-169.869-177.6-5.5113.2I134 S135 F136 K142I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.44Å; S135-R138 PolarHBondContact O-N 3.33Å; F136-R138 PolarHBondContact O-N 3.13Å; R138-K142 WeakPolarHBondContact O-CD 3.37Å; R138-K142 WeakPolarHBondContact O-CE 3.2Å; R138-K142 WeakPolarHBondContact O-CG 3.09Å; R138-K142 PolarHBondContact O-NZ 2.87Å
139D96.1Very high95.5Very high48 Ų4871 Ų7126%0.25738%0.381SS..Iπ-helixtrans-94.5-24.9-169.4-56.2-20.7000111.3S135 H143S135-D139 WeakPolarHBondContact O-CA 3.39Å; S135-D139 WeakPolarHBondContact O-CB 3.23Å; S135-D139 PolarHBondContact O-N 2.97Å; D139-H143 PolarHBondContact O-CD2 2.93Å; D139-H143 PolarHBondContact O-NE2 3.36Å
140Y96.8Very high95.4Very high45 Ų4571.1 Ų71.118%0.17637%0.369CS..Iπ-helixtrans-120.3-49.9178.5-52.8-81.9000112.7I131 F136 K142 H143 I176 L206 M210I131-Y140 HydrophobicContact CD1-CE2 3.85Å; I131-Y140 HydrophobicContact CG1-CE2 4.49Å; I131-Y140 HydrophobicContact CG2-CE2 4.24Å; F136-Y140 WeakPolarHBondContact O-CB 3.33Å; F136-Y140 PolarHBondContact O-N 2.91Å; F136-Y140 VanDerWaalsContact O-N 3.16Å; Y140-K142 VanDerWaalsContact C-N 3.29Å; Y140-K142 PolarHBondContact O-N 2.84Å; Y140-H143 WeakPolarHBondContact O-CB 2.96Å; Y140-H143 PolarHBondContact O-N 2.93Å; Y140-I176 HydrophobicContact CD1-CD1 3.96Å; Y140-I176 HydrophobicContact CD1-CG1 3.45Å; Y140-I176 VanDerWaalsContact CD1-CG1 3.45Å; Y140-I176 HydrophobicContact CD2-CD1 3.76Å; Y140-I176 HydrophobicContact CD2-CG1 4.19Å; Y140-I176 HydrophobicContact CE1-CB 4.41Å; Y140-I176 HydrophobicContact CE1-CD1 4.3Å; Y140-I176 HydrophobicContact CE1-CG1 3.69Å; Y140-I176 HydrophobicContact CE1-CG2 4.09Å; Y140-I176 HydrophobicContact CE2-CD1 4.15Å; Y140-I176 HydrophobicContact CE2-CG1 4.43Å; Y140-I176 HydrophobicContact CG-CD1 3.63Å; Y140-I176 HydrophobicContact CG-CG1 3.67Å; Y140-L206 HydrophobicContact CD1-CD2 4.22Å; Y140-M210 HydrophobicContact CD1-CE 3.64Å; Y140-M210 HydrophobicContact CD1-SD 3.61Å; Y140-M210 HydrophobicContact CE1-CE 3.54Å; Y140-M210 HydrophobicContact CE1-SD 3.96Å
141G94.8Very high95.2Very high19 Ų1965.5 Ų65.520%0.19635%0.353CS..G310 helixtrans-55.5-38.5-176.400000113.9F136 L137 H143 V144F136-G141 PolarHBondContact O-N 3.36Å; L137-G141 CarbonylContact O-C 3.57Å; L137-G141 WeakPolarHBondContact O-CA 3.49Å; L137-G141 PolarHBondContact O-N 3.07Å; G141-H143 PolarHBondContact O-N 3.28Å; G141-H143 VanDerWaalsContact O-N 3.09Å; G141-V144 PolarHBondContact O-N 3.41Å; G141-V144 VanDerWaalsContact O-N 3.12Å
142K95Very high94.9Very high138 Ų13864.7 Ų64.760%0.635%0.348SS*.G310 helixtrans-58.9-23.617775.1173.8172.6-154.50114.2L137 R138 Y140L137-K142 PolarHBondContact O-N 3.46Å; R138-K142 WeakPolarHBondContact O-CD 3.37Å; R138-K142 WeakPolarHBondContact O-CE 3.2Å; R138-K142 WeakPolarHBondContact O-CG 3.09Å; R138-K142 PolarHBondContact O-NZ 2.87Å; Y140-K142 VanDerWaalsContact C-N 3.29Å; Y140-K142 PolarHBondContact O-N 2.84Å
143H95.8Very high94.4Very high36 Ų3667.9 Ų67.917%0.16736%0.361CS..G310 helixtrans-87.3-15-177.2-65.8-74.3000112.2D139 Y140 G141 L206 R209D139-H143 PolarHBondContact O-CD2 2.93Å; D139-H143 PolarHBondContact O-NE2 3.36Å; Y140-H143 WeakPolarHBondContact O-CB 2.96Å; Y140-H143 PolarHBondContact O-N 2.93Å; G141-H143 PolarHBondContact O-N 3.28Å; G141-H143 VanDerWaalsContact O-N 3.09Å; H143-L206 HydrophobicContact CB-CD1 3.7Å; H143-R209 HydrophobicContact CB-CB 4.05Å; H143-R209 PolarHBondContact CE1-O 2.83Å; H143-R209 WeakPolarHBondContact O-CD 3.43Å; H143-R209 PolarHBondContact O-NE 3.11Å; H143-R209 PolarHBondContact O-NH1 3.26Å
144V93.5Very high93.7Very high23 Ų2362.6 Ų62.614%0.13933%0.334CS..SBendtrans-111.8109.5-175.9-171.80000109.4G141 Y148 M149 I172 L206G141-V144 PolarHBondContact O-N 3.41Å; G141-V144 VanDerWaalsContact O-N 3.12Å; V144-Y148 HydrophobicContact CG1-CD1 4.01Å; V144-M149 HydrophobicContact CG1-CG 3.48Å; V144-M149 VanDerWaalsContact CG1-CG 3.48Å; V144-M149 HydrophobicContact CG1-SD 3.64Å; V144-I172 HydrophobicContact CB-CD1 4.31Å; V144-I172 HydrophobicContact CB-CG1 4.38Å; V144-I172 HydrophobicContact CG1-CG1 4.38Å; V144-I172 HydrophobicContact CG2-CG1 4.27Å; V144-L206 HydrophobicContact CG2-CD1 4.01Å
145G92.6Very high93.3Very high34 Ų3456.6 Ų56.635%0.35130%0.303SS..  trans-73.7140.1179.200000111.7N147 Y148 M149G145-N147 VanDerWaalsContact C-N 3.29Å; G145-N147 PolarHBondContact O-N 2.69Å; G145-Y148 WeakPolarHBondContact O-CA 3.15Å; G145-Y148 VanDerWaalsContact O-CB 3.28Å; G145-Y148 WeakPolarHBondContact O-CB 3.47Å; G145-Y148 PolarHBondContact O-N 3.06Å; G145-M149 PolarHBondContact O-N 2.88Å; G145-M149 VanDerWaalsContact O-N 3.16Å
146V94Very high92.9Very high86 Ų8659.2 Ų59.252%0.52131%0.311SS..Hα-helixtrans-56.8-43.4177.61760000111.5Y148 M149 L150 F168V146-Y148 PolarHBondContact O-N 3.44Å; V146-M149 PolarHBondContact O-N 2.62Å; V146-M149 VanDerWaalsContact O-N 3.08Å; V146-L150 HydrophobicContact CG1-CD1 3.78Å; V146-L150 HydrophobicContact CG1-CG 4.1Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.02Å; V146-F168 HydrophobicContact CG1-CZ 4.43Å
147N94Very high92.3Very high142 Ų14261.2 Ų61.276%0.75933%0.328SS*.Hα-helixtrans-60.4-31.7176.6-66.3-14000113G145 G151G145-N147 VanDerWaalsContact C-N 3.29Å; G145-N147 PolarHBondContact O-N 2.69Å; N147-G151 PolarHBondContact O-N 2.97Å; N147-G151 VanDerWaalsContact O-N 3.16Å
148Y93.2Very high91.8Very high64 Ų6457.7 Ų57.725%0.25131%0.309SS..Hα-helixtrans-68.7-43.4175.1170.4-92.2000111V144 G145 V146 G151 K152 S202 E205V144-Y148 HydrophobicContact CG1-CD1 4.01Å; G145-Y148 WeakPolarHBondContact O-CA 3.15Å; G145-Y148 VanDerWaalsContact O-CB 3.28Å; G145-Y148 WeakPolarHBondContact O-CB 3.47Å; G145-Y148 PolarHBondContact O-N 3.06Å; V146-Y148 PolarHBondContact O-N 3.44Å; Y148-G151 PolarHBondContact O-N 2.93Å; Y148-K152 VanDerWaalsContact CE1-CE 3.41Å; Y148-K152 WeakPolarHBondContact OH-CE 3.22Å; Y148-K152 PolarHBondContact OH-NZ 2.96Å; Y148-S202 PolarHBondContact OH-OG 2.85Å; Y148-E205 HydrophobicContact CE2-CG 4.31Å
149M93.3Very high91.4Very high3 Ų354.4 Ų54.42%0.01530%0.303CS..Hα-helixtrans-66.1-45.2177.6-64.1-179.770.500111.8V144 G145 V146 G151 K152 I155 F168 I172V144-M149 HydrophobicContact CG1-CG 3.48Å; V144-M149 VanDerWaalsContact CG1-CG 3.48Å; V144-M149 HydrophobicContact CG1-SD 3.64Å; G145-M149 PolarHBondContact O-N 2.88Å; G145-M149 VanDerWaalsContact O-N 3.16Å; V146-M149 PolarHBondContact O-N 2.62Å; V146-M149 VanDerWaalsContact O-N 3.08Å; M149-G151 PolarHBondContact O-N 2.86Å; M149-G151 VanDerWaalsContact O-N 3.13Å; M149-K152 WeakPolarHBondContact O-CB 3.46Å; M149-K152 PolarHBondContact O-N 2.83Å; M149-I155 HydrophobicContact CB-CD1 3.94Å; M149-I155 HydrophobicContact CE-CD1 4.27Å; M149-I155 WeakPolarHBondContact O-CD1 3.45Å; M149-F168 HydrophobicContact CB-CE1 4.38Å; M149-F168 HydrophobicContact CB-CE2 3.81Å; M149-F168 HydrophobicContact CB-CZ 3.51Å; M149-F168 HydrophobicContact CE-CD1 3.67Å; M149-F168 HydrophobicContact CE-CD2 4.22Å; M149-F168 HydrophobicContact CE-CE1 3.45Å; M149-F168 VanDerWaalsContact CE-CE1 3.45Å; M149-F168 HydrophobicContact CE-CE2 4.04Å; M149-F168 HydrophobicContact CE-CG 4.07Å; M149-F168 HydrophobicContact CE-CZ 3.66Å; M149-F168 WeakPolarHBondContact CE-O 3.2Å; M149-F168 HydrophobicContact CG-CZ 4.19Å; M149-F168 HydrophobicContact SD-CD1 4.32Å; M149-F168 HydrophobicContact SD-CE1 3.53Å; M149-F168 VanDerWaalsContact SD-CE1 3.53Å; M149-F168 HydrophobicContact SD-CZ 3.66Å; M149-I172 HydrophobicContact CE-CD1 4.21Å; M149-I172 HydrophobicContact CE-CG1 4.13Å; M149-I172 HydrophobicContact SD-CD1 4.02Å; M149-I172 HydrophobicContact SD-CG1 4.28Å
150L92.7Very high90.7Very high61 Ų6160.3 Ų60.332%0.31933%0.328SS..Hα-helixtrans-64-16.2174.8-63.5175000113V146 I155 Q156 L159 F168V146-L150 HydrophobicContact CG1-CD1 3.78Å; V146-L150 HydrophobicContact CG1-CG 4.1Å; V146-L150 WeakPolarHBondContact O-CG 3.38Å; V146-L150 PolarHBondContact O-N 3.02Å; L150-I155 HydrophobicContact CD2-CG2 4.41Å; L150-Q156 WeakPolarHBondContact O-CG 3.3Å; L150-Q156 PolarHBondContact O-NE2 3.17Å; L150-L159 HydrophobicContact CD2-CD1 3.73Å; L150-L159 HydrophobicContact CD2-CD2 3.89Å; L150-L159 HydrophobicContact CD2-CG 4.4Å; L150-F168 HydrophobicContact CD2-CE2 4.11Å
151G91.4Very high90.1Very high41 Ų4164.7 Ų64.742%0.42335%0.35SS..THydrogen-bonded Turntrans-82.5-7.3173.600000114.5N147 Y148 M149N147-G151 PolarHBondContact O-N 2.97Å; N147-G151 VanDerWaalsContact O-N 3.16Å; Y148-G151 PolarHBondContact O-N 2.93Å; M149-G151 PolarHBondContact O-N 2.86Å; M149-G151 VanDerWaalsContact O-N 3.13Å
152K90.3Very high89.7Confident23 Ų2365.7 Ų65.710%0.136%0.361CS..SBendtrans-83.9130.1-179.1-63.9-70.7-177162.60110.8Y148 M149 S154 I155 Q156 G198 T201 S202Y148-K152 VanDerWaalsContact CE1-CE 3.41Å; Y148-K152 WeakPolarHBondContact OH-CE 3.22Å; Y148-K152 PolarHBondContact OH-NZ 2.96Å; M149-K152 WeakPolarHBondContact O-CB 3.46Å; M149-K152 PolarHBondContact O-N 2.83Å; K152-S154 PolarHBondContact O-N 2.97Å; K152-S154 VanDerWaalsContact O-N 3.16Å; K152-I155 HydrophobicContact CB-CB 4.45Å; K152-I155 HydrophobicContact CB-CD1 4.46Å; K152-I155 HydrophobicContact CB-CG1 4.48Å; K152-I155 PolarHBondContact O-N 3.02Å; K152-Q156 WeakPolarHBondContact O-CG 3.42Å; K152-Q156 PolarHBondContact O-N 2.78Å; K152-G198 PolarHBondContact NZ-O 2.83Å; K152-T201 PolarHBondContact NZ-OG1 3.19Å; K152-S202 VanDerWaalsContact CE-OG 3.25Å; K152-S202 WeakPolarHBondContact CE-OG 3.38Å; K152-S202 PolarHBondContact NZ-OG 3.21Å; K152-S202 VanDerWaalsContact NZ-OG 3.15Å
153D87Confident89.5Confident128 Ų12860.9 Ų60.968%0.68434%0.341SS*.Hα-helixtrans-54.1-37.7179.4-60.4-12.2000113.1I155 Q156 S157D153-I155 VanDerWaalsContact C-N 3.28Å; D153-I155 PolarHBondContact O-N 3.38Å; D153-Q156 PolarHBondContact O-N 2.89Å; D153-S157 PolarHBondContact O-N 3.07Å; D153-S157 VanDerWaalsContact O-N 3.12Å; D153-S157 PolarHBondContact O-OG 3.36Å
154S83.2Confident89.4Confident12 Ų1260.4 Ų60.48%0.08434%0.342CS..Hα-helixtrans-63.9-30177.4550000113.5S82 K152 S157S82-S154 WeakPolarHBondContact OG-CB 3.39Å; K152-S154 PolarHBondContact O-N 2.97Å; K152-S154 VanDerWaalsContact O-N 3.16Å; S154-S157 PolarHBondContact O-OG 3.32Å
155I88.3Confident89.4Confident0 Ų066.3 Ų66.30%036%0.363CS..Hα-helixtrans-89-43.5176.4-67.7175000109.8M149 L150 K152 D153 S157 R158 L159 F168M149-I155 HydrophobicContact CB-CD1 3.94Å; M149-I155 HydrophobicContact CE-CD1 4.27Å; M149-I155 WeakPolarHBondContact O-CD1 3.45Å; L150-I155 HydrophobicContact CD2-CG2 4.41Å; K152-I155 HydrophobicContact CB-CB 4.45Å; K152-I155 HydrophobicContact CB-CD1 4.46Å; K152-I155 HydrophobicContact CB-CG1 4.48Å; K152-I155 PolarHBondContact O-N 3.02Å; D153-I155 VanDerWaalsContact C-N 3.28Å; D153-I155 PolarHBondContact O-N 3.38Å; I155-S157 VanDerWaalsContact C-N 3.32Å; I155-S157 PolarHBondContact O-N 3.29Å; I155-R158 PolarHBondContact O-N 3.33Å; I155-L159 HydrophobicContact CG2-CD1 4.46Å; I155-L159 HydrophobicContact CG2-CD2 4.37Å; I155-L159 HydrophobicContact CG2-CG 4.23Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.84Å; I155-F168 HydrophobicContact CD1-CD2 4.14Å; I155-F168 HydrophobicContact CD1-CE2 4.09Å; I155-F168 HydrophobicContact CG2-CD2 4.13Å; I155-F168 HydrophobicContact CG2-CE2 4.03Å
156Q88.6Confident89.3Confident93 Ų9367.3 Ų67.344%0.43536%0.362SS..Hα-helixtrans-55.3-45.9-179.1-74.4-173.4-7.900112.7L150 K152 D153 R158 L159L150-Q156 WeakPolarHBondContact O-CG 3.3Å; L150-Q156 PolarHBondContact O-NE2 3.17Å; K152-Q156 WeakPolarHBondContact O-CG 3.42Å; K152-Q156 PolarHBondContact O-N 2.78Å; D153-Q156 PolarHBondContact O-N 2.89Å; Q156-R158 PolarHBondContact O-N 3.2Å; Q156-L159 PolarHBondContact O-N 3.38Å; Q156-L159 VanDerWaalsContact O-N 3.14Å
157S84.8Confident89.2Confident63 Ų6363.3 Ų63.344%0.44134%0.338SS..Hα-helixtrans-61.5-24.7177.752.30000113.9D153 S154 I155D153-S157 PolarHBondContact O-N 3.07Å; D153-S157 VanDerWaalsContact O-N 3.12Å; D153-S157 PolarHBondContact O-OG 3.36Å; S154-S157 PolarHBondContact O-OG 3.32Å; I155-S157 VanDerWaalsContact C-N 3.32Å; I155-S157 PolarHBondContact O-N 3.29Å
158R86.3Confident89.2Confident3 Ų357.9 Ų57.91%0.01131%0.308CS..Hα-helixtrans-88.9-25.4175.8-71.7-68.3-56.7-90.8-5.9113.3P81 K84 E86 I155 Q156 E160 H161 G162 I163 E167P81-R158 HydrophobicContact CB-CG 4.21Å; K84-R158 WeakPolarHBondContact O-CD 3.14Å; E86-R158 PolarHBondContact O-NH1 2.65Å; E86-R158 VanDerWaalsContact O-NH1 3.14Å; I155-R158 PolarHBondContact O-N 3.33Å; Q156-R158 PolarHBondContact O-N 3.2Å; R158-E160 PolarHBondContact O-N 2.81Å; R158-H161 CarbonylContact O-C 3.56Å; R158-H161 PolarHBondContact O-N 3.48Å; R158-G162 PolarHBondContact NH2-O 3.03Å; R158-G162 CarbonylContact O-C 3.55Å; R158-G162 PolarHBondContact O-N 3.47Å; R158-I163 HydrophobicContact CB-CB 4.25Å; R158-I163 HydrophobicContact CB-CD1 4.37Å; R158-E167 IonicContact CZ-OE2 2.86Å; R158-E167 IonicContact NH1-OE1 3.63Å; R158-E167 IonicContact NH1-OE2 2.98Å; R158-E167 PolarHBondContact NH1-OE2 3.49Å; R158-E167 IonicContact NH2-OE2 2.72Å; R158-E167 PolarHBondContact NH2-OE2 2.93Å
159L87Confident89.2Confident81 Ų8155.5 Ų55.542%0.42430%0.299SS..Hα-helixtrans-58.4-31.9-177.1-72.4174.7000112.6L150 I155 Q156 H161 I163L150-L159 HydrophobicContact CD2-CD1 3.73Å; L150-L159 HydrophobicContact CD2-CD2 3.89Å; L150-L159 HydrophobicContact CD2-CG 4.4Å; I155-L159 HydrophobicContact CG2-CD1 4.46Å; I155-L159 HydrophobicContact CG2-CD2 4.37Å; I155-L159 HydrophobicContact CG2-CG 4.23Å; I155-L159 WeakPolarHBondContact O-CG 3.44Å; I155-L159 PolarHBondContact O-N 2.84Å; Q156-L159 PolarHBondContact O-N 3.38Å; Q156-L159 VanDerWaalsContact O-N 3.14Å; L159-H161 VanDerWaalsContact C-N 3.29Å; L159-H161 PolarHBondContact O-N 3.05Å; L159-I163 HydrophobicContact CD2-CG2 3.95Å
160E81.3Confident89.3Confident171 Ų17156 Ų5680%0.79930%0.301SS*.THydrogen-bonded Turntrans-65.6-30.2176.6-63.6-172.5172.900113.2R158R158-E160 PolarHBondContact O-N 2.81Å
161H84.2Confident89.4Confident137 Ų13753.1 Ų53.163%0.63429%0.286SS*.THydrogen-bonded Turntrans-104-11.2-178.3-62.2-55.8000113.6R158 L159R158-H161 CarbonylContact O-C 3.56Å; R158-H161 PolarHBondContact O-N 3.48Å; L159-H161 VanDerWaalsContact C-N 3.29Å; L159-H161 PolarHBondContact O-N 3.05Å
162G87.5Confident89.7Confident41 Ų4151.7 Ų51.742%0.42327%0.269SS..  trans98.5143.9-172.500000112.7R158R158-G162 PolarHBondContact NH2-O 3.03Å; R158-G162 CarbonylContact O-C 3.55Å; R158-G162 PolarHBondContact O-N 3.47Å
163I91.4Very high90Very high36 Ų3651.6 Ų51.619%0.18527%0.269CS..  trans-138.8131.7172.8-171.2170.4000107.9P81 R158 L159 E167 F168P81-I163 HydrophobicContact CB-CD1 3.96Å; P81-I163 HydrophobicContact CG-CD1 4.05Å; R158-I163 HydrophobicContact CB-CB 4.25Å; R158-I163 HydrophobicContact CB-CD1 4.37Å; L159-I163 HydrophobicContact CD2-CG2 3.95Å; I163-E167 HydrophobicContact CD1-CB 4.25Å; I163-E167 HydrophobicContact CG1-CB 3.88Å; I163-F168 HydrophobicContact CD1-CB 4.32Å; I163-F168 HydrophobicContact CG1-CB 4.44Å
164S92.4Very high90.5Very high26 Ų2646.2 Ų46.218%0.18224%0.24CC..  trans-74.8160176.466.20000110.9E87 T166 E167 F168E87-S164 WeakPolarHBondContact OE1-CB 3.3Å; E87-S164 PolarHBondContact OE1-OG 3.18Å; S164-T166 PolarHBondContact O-N 2.79Å; S164-E167 PolarHBondContact O-N 3.48Å; S164-E167 PolarHBondContact OG-N 3.3Å; S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.18Å; S164-F168 PolarHBondContact O-N 2.99Å
165Y93.1Very high91.2Very high148 Ų14845.7 Ų45.758%0.5824%0.236SC*.Hα-helixtrans-58.5-33.9173-175.2-98.9000111.4F168 T169Y165-F168 PolarHBondContact O-N 3.4Å; Y165-T169 HydrophobicContact CD1-CG2 4.11Å; Y165-T169 HydrophobicContact CE1-CG2 3.67Å; Y165-T169 HydrophobicContact CE2-CG2 4.24Å; Y165-T169 WeakPolarHBondContact O-CG2 3.04Å; Y165-T169 PolarHBondContact O-N 3.09Å; Y165-T169 PolarHBondContact O-OG1 3.35Å
166T91.9Very high91.7Very high55 Ų5545.8 Ų45.834%0.33724%0.237SC..Hα-helixtrans-56.9-62.5176.2-50.90000110.8I78 S164 F168 T169I78-T166 HydrophobicContact CB-CG2 4.42Å; I78-T166 HydrophobicContact CD1-CG2 3.99Å; I78-T166 HydrophobicContact CG2-CG2 3.82Å; I78-T166 WeakPolarHBondContact CG2-O 3.25Å; S164-T166 PolarHBondContact O-N 2.79Å; T166-F168 VanDerWaalsContact C-N 3.28Å; T166-F168 PolarHBondContact O-N 2.67Å; T166-T169 PolarHBondContact O-N 2.86Å; T166-T169 VanDerWaalsContact O-N 3.15Å; T166-T169 PolarHBondContact O-OG1 3.39Å
167E91.3Very high92.1Very high2 Ų241.5 Ų41.51%0.00922%0.217CC..Hα-helixtrans-63.5-34.2178.7-70.6-171146.300112.1P81 E87 R88 R158 I163 S164 T169 Y170P81-E167 HydrophobicContact CB-CB 4.25Å; P81-E167 HydrophobicContact CG-CB 4.33Å; E87-E167 WeakPolarHBondContact CA-OE1 3.38Å; E87-E167 HydrophobicContact CG-CG 4.48Å; R88-E167 PolarHBondContact N-OE1 2.71Å; R158-E167 IonicContact CZ-OE2 2.86Å; R158-E167 IonicContact NH1-OE1 3.63Å; R158-E167 IonicContact NH1-OE2 2.98Å; R158-E167 PolarHBondContact NH1-OE2 3.49Å; R158-E167 IonicContact NH2-OE2 2.72Å; R158-E167 PolarHBondContact NH2-OE2 2.93Å; I163-E167 HydrophobicContact CD1-CB 4.25Å; I163-E167 HydrophobicContact CG1-CB 3.88Å; S164-E167 PolarHBondContact O-N 3.48Å; S164-E167 PolarHBondContact OG-N 3.3Å; E167-T169 VanDerWaalsContact C-N 3.25Å; E167-T169 PolarHBondContact O-N 2.8Å; E167-Y170 WeakPolarHBondContact O-CB 3.41Å; E167-Y170 PolarHBondContact O-N 3.12Å; E167-Y170 VanDerWaalsContact O-N 3.09Å
168F92.9Very high92.8Very high28 Ų2838.5 Ų38.512%0.12320%0.196CC..Hα-helixtrans-59.5-36.9176.8-175.2-102.5000111.9V146 M149 L150 I155 I163 S164 Y165 T166 Y170V146-F168 HydrophobicContact CG1-CZ 4.43Å; M149-F168 HydrophobicContact CB-CE1 4.38Å; M149-F168 HydrophobicContact CB-CE2 3.81Å; M149-F168 HydrophobicContact CB-CZ 3.51Å; M149-F168 HydrophobicContact CE-CD1 3.67Å; M149-F168 HydrophobicContact CE-CD2 4.22Å; M149-F168 HydrophobicContact CE-CE1 3.45Å; M149-F168 VanDerWaalsContact CE-CE1 3.45Å; M149-F168 HydrophobicContact CE-CE2 4.04Å; M149-F168 HydrophobicContact CE-CG 4.07Å; M149-F168 HydrophobicContact CE-CZ 3.66Å; M149-F168 WeakPolarHBondContact CE-O 3.2Å; M149-F168 HydrophobicContact CG-CZ 4.19Å; M149-F168 HydrophobicContact SD-CD1 4.32Å; M149-F168 HydrophobicContact SD-CE1 3.53Å; M149-F168 VanDerWaalsContact SD-CE1 3.53Å; M149-F168 HydrophobicContact SD-CZ 3.66Å; L150-F168 HydrophobicContact CD2-CE2 4.11Å; I155-F168 HydrophobicContact CD1-CD2 4.14Å; I155-F168 HydrophobicContact CD1-CE2 4.09Å; I155-F168 HydrophobicContact CG2-CD2 4.13Å; I155-F168 HydrophobicContact CG2-CE2 4.03Å; I163-F168 HydrophobicContact CD1-CB 4.32Å; I163-F168 HydrophobicContact CG1-CB 4.44Å; S164-F168 VanDerWaalsContact O-CB 3.27Å; S164-F168 WeakPolarHBondContact O-CB 3.18Å; S164-F168 PolarHBondContact O-N 2.99Å; Y165-F168 PolarHBondContact O-N 3.4Å; T166-F168 VanDerWaalsContact C-N 3.28Å; T166-F168 PolarHBondContact O-N 2.67Å; F168-Y170 VanDerWaalsContact C-N 3.28Å; F168-Y170 PolarHBondContact O-N 3.47Å
169T94.4Very high93.3Very high13 Ų1338.6 Ų38.68%0.0820%0.198CC..Hα-helixtrans-74.9-12178.358.50000114.6F136 Y165 T166 E167 T171 I172 L173F136-T169 HydrophobicContact CE1-CG2 4.2Å; F136-T169 HydrophobicContact CZ-CG2 4.21Å; Y165-T169 HydrophobicContact CD1-CG2 4.11Å; Y165-T169 HydrophobicContact CE1-CG2 3.67Å; Y165-T169 HydrophobicContact CE2-CG2 4.24Å; Y165-T169 WeakPolarHBondContact O-CG2 3.04Å; Y165-T169 PolarHBondContact O-N 3.09Å; Y165-T169 PolarHBondContact O-OG1 3.35Å; T166-T169 PolarHBondContact O-N 2.86Å; T166-T169 VanDerWaalsContact O-N 3.15Å; T166-T169 PolarHBondContact O-OG1 3.39Å; E167-T169 VanDerWaalsContact C-N 3.25Å; E167-T169 PolarHBondContact O-N 2.8Å; T169-T171 VanDerWaalsContact C-N 3.31Å; T169-T171 PolarHBondContact O-N 3.43Å; T169-I172 WeakPolarHBondContact O-CB 3.34Å; T169-I172 PolarHBondContact O-N 3.29Å; T169-L173 PolarHBondContact O-N 3.02Å
170Y95.4Very high93.8Very high13 Ų1337.6 Ų37.65%0.05119%0.191CC..Hα-helixtrans-53-45.3-178-177.2-84000112.7D40 T75 I78 G79 D80 E167 F168 I172 L173 Q174D40-Y170 WeakPolarHBondContact OD2-CE2 3.22Å; D40-Y170 PolarHBondContact OD2-OH 3.39Å; T75-Y170 HydrophobicContact CG2-CE2 4.05Å; I78-Y170 HydrophobicContact CB-CD2 4.41Å; I78-Y170 HydrophobicContact CG2-CD2 4.32Å; G79-Y170 WeakPolarHBondContact O-CD2 3.33Å; D80-Y170 HydrophobicContact CB-CD1 4.04Å; D80-Y170 HydrophobicContact CB-CD2 4.2Å; D80-Y170 HydrophobicContact CB-CE1 3.55Å; D80-Y170 HydrophobicContact CB-CE2 3.7Å; D80-Y170 HydrophobicContact CB-CG 4.37Å; E167-Y170 WeakPolarHBondContact O-CB 3.41Å; E167-Y170 PolarHBondContact O-N 3.12Å; E167-Y170 VanDerWaalsContact O-N 3.09Å; F168-Y170 VanDerWaalsContact C-N 3.28Å; F168-Y170 PolarHBondContact O-N 3.47Å; Y170-I172 PolarHBondContact O-N 3.2Å; Y170-I172 VanDerWaalsContact O-N 3.17Å; Y170-L173 WeakPolarHBondContact O-CB 3.42Å; Y170-L173 PolarHBondContact O-N 3.27Å; Y170-Q174 HydrophobicContact CE1-CB 4.33Å; Y170-Q174 VanDerWaalsContact CE1-OE1 3.26Å; Y170-Q174 PolarHBondContact O-N 3.43Å
171T95Very high94.6Very high1 Ų129.5 Ų29.51%0.00615%0.153CC..Hα-helixtrans-57-33.6178.7-61.20000112.7T169 A175 N199 S202T169-T171 VanDerWaalsContact C-N 3.31Å; T169-T171 PolarHBondContact O-N 3.43Å; T171-A175 VanDerWaalsContact O-CB 3.27Å; T171-A175 WeakPolarHBondContact O-CB 3.46Å; T171-A175 PolarHBondContact O-N 3.13Å; T171-A175 VanDerWaalsContact O-N 3.14Å; T171-N199 WeakPolarHBondContact CB-OD1 3.34Å; T171-N199 PolarHBondContact OG1-OD1 3.22Å; T171-S202 VanDerWaalsContact CG2-OG 3.31Å; T171-S202 WeakPolarHBondContact CG2-OG 3.44Å
172I96.7Very high95.3Very high11 Ų1124.2 Ų24.26%0.05613%0.13CC..Hα-helixtrans-73.4-39.7177.3-55.9176.3000110F136 V144 M149 T169 Y170 A175 I176F136-I172 HydrophobicContact CE2-CB 4.15Å; F136-I172 HydrophobicContact CE2-CG2 3.64Å; F136-I172 HydrophobicContact CZ-CB 4.05Å; F136-I172 HydrophobicContact CZ-CD1 4.22Å; F136-I172 HydrophobicContact CZ-CG2 3.86Å; V144-I172 HydrophobicContact CB-CD1 4.31Å; V144-I172 HydrophobicContact CB-CG1 4.38Å; V144-I172 HydrophobicContact CG1-CG1 4.38Å; V144-I172 HydrophobicContact CG2-CG1 4.27Å; M149-I172 HydrophobicContact CE-CD1 4.21Å; M149-I172 HydrophobicContact CE-CG1 4.13Å; M149-I172 HydrophobicContact SD-CD1 4.02Å; M149-I172 HydrophobicContact SD-CG1 4.28Å; T169-I172 WeakPolarHBondContact O-CB 3.34Å; T169-I172 PolarHBondContact O-N 3.29Å; Y170-I172 PolarHBondContact O-N 3.2Å; Y170-I172 VanDerWaalsContact O-N 3.17Å; I172-A175 WeakPolarHBondContact O-CB 3.26Å; I172-A175 PolarHBondContact O-N 3.45Å; I172-I176 HydrophobicContact CG2-CD1 4.16Å; I172-I176 HydrophobicContact CG2-CG1 4.5Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.33Å; I172-I176 PolarHBondContact O-N 3.45Å
173L97.6Very high95.7Very high21 Ų2129.8 Ų29.811%0.1114%0.138CC..Hα-helixtrans-63.2-47.6178.5-60.4172.7000111.7T75 I78 L128 F136 T169 Y170 A175 I176 D177T75-L173 HydrophobicContact CG2-CB 3.95Å; I78-L173 HydrophobicContact CB-CD1 4.25Å; I78-L173 HydrophobicContact CD1-CD1 4.48Å; I78-L173 HydrophobicContact CG1-CD1 3.63Å; I78-L173 HydrophobicContact CG2-CD1 4.21Å; L128-L173 HydrophobicContact CD1-CB 4.26Å; L128-L173 HydrophobicContact CD1-CD2 4.48Å; L128-L173 HydrophobicContact CD2-CD2 4.08Å; F136-L173 HydrophobicContact CD2-CD2 4.21Å; F136-L173 HydrophobicContact CE2-CD2 3.73Å; F136-L173 HydrophobicContact CE2-CG 4.44Å; T169-L173 PolarHBondContact O-N 3.02Å; Y170-L173 WeakPolarHBondContact O-CB 3.42Å; Y170-L173 PolarHBondContact O-N 3.27Å; L173-A175 PolarHBondContact O-N 3.04Å; L173-I176 HydrophobicContact CD2-CD1 4.39Å; L173-I176 WeakPolarHBondContact O-CB 3.05Å; L173-I176 PolarHBondContact O-N 2.77Å; L173-I176 VanDerWaalsContact O-N 3.09Å; L173-D177 PolarHBondContact O-N 3.27Å
174Q97.9Very high95.9Very high15 Ų1533.7 Ų33.77%0.0716%0.155CC..Hα-helixtrans-64.5-31.5174.8-174.1174.5-12.700112.2Y170 D177 F178 N199Y170-Q174 HydrophobicContact CE1-CB 4.33Å; Y170-Q174 VanDerWaalsContact CE1-OE1 3.26Å; Y170-Q174 PolarHBondContact O-N 3.43Å; Q174-D177 WeakPolarHBondContact O-CB 3.49Å; Q174-D177 PolarHBondContact O-N 3.37Å; Q174-F178 PolarHBondContact O-N 3.42Å; Q174-N199 HydrophobicContact CB-CB 4.49Å; Q174-N199 HydrophobicContact CG-CB 4.23Å; Q174-N199 PolarHBondContact OE1-ND2 3Å
175A97.5Very high96.1Very high1 Ų134.8 Ų34.81%0.00816%0.159CC..Hα-helixtrans-67.6-37.1173.200000112.3T171 I172 L173 D177 F178 G179 L206T171-A175 VanDerWaalsContact O-CB 3.27Å; T171-A175 WeakPolarHBondContact O-CB 3.46Å; T171-A175 PolarHBondContact O-N 3.13Å; T171-A175 VanDerWaalsContact O-N 3.14Å; I172-A175 WeakPolarHBondContact O-CB 3.26Å; I172-A175 PolarHBondContact O-N 3.45Å; L173-A175 PolarHBondContact O-N 3.04Å; A175-D177 VanDerWaalsContact C-N 3.32Å; A175-F178 PolarHBondContact O-N 3.41Å; A175-G179 PolarHBondContact O-N 3.46Å; A175-L206 HydrophobicContact CB-CB 4.01Å; A175-L206 HydrophobicContact CB-CD2 3.53Å; A175-L206 HydrophobicContact CB-CG 4.42Å
176I98.1Very high96.2Very high3 Ų331.8 Ų31.82%0.01515%0.153CC..Hα-helixtrans-61.3-43.1172.6-68.6164.7000110.1L128 I131 F136 Y140 I172 L173 F178 G179 H180 L206L128-I176 HydrophobicContact CD2-CB 4.13Å; L128-I176 HydrophobicContact CD2-CD1 4.42Å; L128-I176 HydrophobicContact CD2-CG2 3.74Å; I131-I176 HydrophobicContact CD1-CD1 4.41Å; I131-I176 HydrophobicContact CD1-CG2 4Å; F136-I176 HydrophobicContact CD2-CD1 3.88Å; F136-I176 HydrophobicContact CE2-CD1 3.89Å; Y140-I176 HydrophobicContact CD1-CD1 3.96Å; Y140-I176 HydrophobicContact CD1-CG1 3.45Å; Y140-I176 VanDerWaalsContact CD1-CG1 3.45Å; Y140-I176 HydrophobicContact CD2-CD1 3.76Å; Y140-I176 HydrophobicContact CD2-CG1 4.19Å; Y140-I176 HydrophobicContact CE1-CB 4.41Å; Y140-I176 HydrophobicContact CE1-CD1 4.3Å; Y140-I176 HydrophobicContact CE1-CG1 3.69Å; Y140-I176 HydrophobicContact CE1-CG2 4.09Å; Y140-I176 HydrophobicContact CE2-CD1 4.15Å; Y140-I176 HydrophobicContact CE2-CG1 4.43Å; Y140-I176 HydrophobicContact CG-CD1 3.63Å; Y140-I176 HydrophobicContact CG-CG1 3.67Å; I172-I176 HydrophobicContact CG2-CD1 4.16Å; I172-I176 HydrophobicContact CG2-CG1 4.5Å; I172-I176 VanDerWaalsContact O-CG1 3.25Å; I172-I176 WeakPolarHBondContact O-CG1 3.33Å; I172-I176 PolarHBondContact O-N 3.45Å; L173-I176 HydrophobicContact CD2-CD1 4.39Å; L173-I176 WeakPolarHBondContact O-CB 3.05Å; L173-I176 PolarHBondContact O-N 2.77Å; L173-I176 VanDerWaalsContact O-N 3.09Å; I176-F178 PolarHBondContact O-N 3.12Å; I176-G179 PolarHBondContact O-N 3.45Å; I176-H180 WeakPolarHBondContact O-CB 3.26Å; I176-H180 PolarHBondContact O-N 2.84Å; I176-L206 HydrophobicContact CG1-CD2 4.18Å
177D98.4Very high96.5Very high3 Ų329.1 Ų29.12%0.01614%0.137CC..Hα-helixtrans-56.3-48.6177.8-64.9-13.7000111.4L70 N124 W127 L173 Q174 A175 G179 H180 L181L70-D177 HydrophobicContact CD1-CB 3.87Å; N124-D177 WeakPolarHBondContact CB-OD1 3.48Å; N124-D177 PolarHBondContact ND2-OD2 3.34Å; W127-D177 HydrophobicContact CZ2-CB 4.16Å; W127-D177 PolarHBondContact NE1-OD1 2.79Å; L173-D177 PolarHBondContact O-N 3.27Å; Q174-D177 WeakPolarHBondContact O-CB 3.49Å; Q174-D177 PolarHBondContact O-N 3.37Å; A175-D177 VanDerWaalsContact C-N 3.32Å; D177-G179 VanDerWaalsContact C-N 3.33Å; D177-G179 PolarHBondContact O-N 3.16Å; D177-H180 PolarHBondContact O-N 2.95Å; D177-L181 VanDerWaalsContact O-CG 3.29Å; D177-L181 WeakPolarHBondContact O-CG 3.49Å; D177-L181 PolarHBondContact O-N 3.45Å
178F98.3Very high96.8Very high0 Ų029.7 Ų29.70%014%0.139CC..Hα-helixtrans-61.3-44.3178.4-159.9176.2000111.1Y36 Q174 A175 I176 H180 L181 N182 Q190 I204 M207 A216 Y217Y36-F178 HydrophobicContact CD1-CD2 4.27Å; Y36-F178 HydrophobicContact CD1-CE2 4.48Å; Y36-F178 HydrophobicContact CE1-CB 4.03Å; Y36-F178 HydrophobicContact CE1-CD1 4.4Å; Y36-F178 AromaticContact CE1-CD2 3.58Å; Y36-F178 HydrophobicContact CE1-CD2 3.58Å; Y36-F178 HydrophobicContact CE1-CE2 4.1Å; Y36-F178 AromaticContact CE1-CG 3.76Å; Y36-F178 HydrophobicContact CE1-CG 3.76Å; Y36-F178 WeakPolarHBondContact OH-CB 3.49Å; Y36-F178 PolarHBondContact OH-N 2.91Å; Q174-F178 PolarHBondContact O-N 3.42Å; A175-F178 PolarHBondContact O-N 3.41Å; I176-F178 PolarHBondContact O-N 3.12Å; F178-H180 VanDerWaalsContact C-N 3.33Å; F178-H180 PolarHBondContact O-N 2.97Å; F178-L181 PolarHBondContact O-N 3.02Å; F178-N182 WeakPolarHBondContact O-CB 3.25Å; F178-N182 PolarHBondContact O-N 2.93Å; F178-Q190 HydrophobicContact CD1-CB 4.07Å; F178-Q190 HydrophobicContact CE1-CB 3.71Å; F178-Q190 HydrophobicContact CE2-CB 4.44Å; F178-Q190 HydrophobicContact CZ-CB 3.92Å; F178-I204 HydrophobicContact CD1-CG1 4.25Å; F178-I204 HydrophobicContact CE1-CD1 4.43Å; F178-I204 HydrophobicContact CE1-CG1 3.69Å; F178-M207 HydrophobicContact CB-CE 4.17Å; F178-M207 HydrophobicContact CD1-CE 3.5Å; F178-M207 HydrophobicContact CD2-CE 3.72Å; F178-M207 HydrophobicContact CD2-SD 4.38Å; F178-M207 HydrophobicContact CE1-CE 3.77Å; F178-M207 HydrophobicContact CE2-CE 3.95Å; F178-M207 HydrophobicContact CG-CE 3.5Å; F178-M207 VanDerWaalsContact CG-CE 3.5Å; F178-M207 HydrophobicContact CG-SD 4.43Å; F178-M207 HydrophobicContact CZ-CE 3.99Å; F178-A216 HydrophobicContact CE1-CB 4.18Å; F178-A216 HydrophobicContact CE2-CB 4.17Å; F178-A216 HydrophobicContact CZ-CB 3.72Å; F178-Y217 WeakPolarHBondContact CZ-O 3.31Å
179G97.6Very high97.1Very high4 Ų428.4 Ų28.44%0.04113%0.133CC..Hα-helixtrans-61.4-38.1176.500000113.9A175 I176 D177 R183A175-G179 PolarHBondContact O-N 3.46Å; I176-G179 PolarHBondContact O-N 3.45Å; D177-G179 VanDerWaalsContact C-N 3.33Å; D177-G179 PolarHBondContact O-N 3.16Å; G179-R183 WeakPolarHBondContact O-CG 3.46Å; G179-R183 PolarHBondContact O-N 3.4Å
180H97.6Very high97.3Very high60 Ų6028 Ų2828%0.27813%0.13SC..Hα-helixtrans-68-52.9176.8-178.481.5000110.9W127 I176 D177 F178 N182 R183 E184W127-H180 HydrophobicContact CD2-CB 4.47Å; W127-H180 AromaticContact CD2-CD2 3.42Å; W127-H180 VanDerWaalsContact CD2-CD2 3.42Å; W127-H180 AromaticContact CD2-CG 3.82Å; W127-H180 AromaticContact CD2-NE2 3.68Å; W127-H180 AromaticContact CE2-CD2 3.78Å; W127-H180 AromaticContact CE3-CD2 3.44Å; W127-H180 VanDerWaalsContact CE3-CD2 3.44Å; W127-H180 AromaticContact CE3-NE2 3.39Å; W127-H180 HydrophobicContact CG-CB 4.43Å; W127-H180 AromaticContact CG-CD2 3.91Å; W127-H180 AromaticContact CG-CG 3.85Å; W127-H180 AromaticContact CG-ND1 3.94Å; W127-H180 AromaticContact CZ3-CD2 3.82Å; W127-H180 AromaticContact CZ3-NE2 3.98Å; I176-H180 WeakPolarHBondContact O-CB 3.26Å; I176-H180 PolarHBondContact O-N 2.84Å; D177-H180 PolarHBondContact O-N 2.95Å; F178-H180 VanDerWaalsContact C-N 3.33Å; F178-H180 PolarHBondContact O-N 2.97Å; H180-N182 VanDerWaalsContact C-N 3.28Å; H180-N182 PolarHBondContact O-N 2.78Å; H180-R183 PolarHBondContact O-N 3.38Å; H180-R183 VanDerWaalsContact O-N 3.13Å; H180-E184 WeakPolarHBondContact O-CG 3.3Å; H180-E184 PolarHBondContact O-N 3.3Å
181L98.1Very high97.4Very high1 Ų127.4 Ų27.41%0.00513%0.128CC..Hα-helixtrans-63.3-34.1180-62.6177.9000112.6Y36 I68 L70 V122 W127 D177 F178 L185 N186 C187Y36-L181 HydrophobicContact CD1-CD1 3.88Å; Y36-L181 HydrophobicContact CD2-CD1 3.53Å; Y36-L181 HydrophobicContact CE1-CD1 4.16Å; Y36-L181 HydrophobicContact CE2-CD1 3.87Å; Y36-L181 HydrophobicContact CG-CD1 3.51Å; I68-L181 HydrophobicContact CD1-CD2 4.45Å; I68-L181 HydrophobicContact CG2-CD1 4.24Å; I68-L181 HydrophobicContact CG2-CD2 4.27Å; L70-L181 HydrophobicContact CD1-CD1 3.83Å; V122-L181 HydrophobicContact CG2-CD2 4.06Å; W127-L181 HydrophobicContact CH2-CD2 4.04Å; D177-L181 VanDerWaalsContact O-CG 3.29Å; D177-L181 WeakPolarHBondContact O-CG 3.49Å; D177-L181 PolarHBondContact O-N 3.45Å; F178-L181 PolarHBondContact O-N 3.02Å; L181-L185 HydrophobicContact CD2-CD1 3.98Å; L181-L185 CarbonylContact O-C 3.49Å; L181-L185 WeakPolarHBondContact O-CA 3.35Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 2.92Å; L181-N186 PolarHBondContact O-N 2.89Å; L181-C187 HydrophobicContact CB-CB 3.73Å; L181-C187 WeakPolarHBondContact O-CB 3.24Å; L181-C187 PolarHBondContact O-N 3.46Å; L181-C187 VanDerWaalsContact O-N 3.1Å
182N97.6Very high97.5Very high27 Ų2727.6 Ų27.614%0.14413%0.131CC..Hα-helixtrans-61.8-44.6174.4178.4-104.2000111.5F178 H180 N186 C187 M207F178-N182 WeakPolarHBondContact O-CB 3.25Å; F178-N182 PolarHBondContact O-N 2.93Å; H180-N182 VanDerWaalsContact C-N 3.28Å; H180-N182 PolarHBondContact O-N 2.78Å; N182-N186 WeakPolarHBondContact O-CA 3.45Å; N182-N186 PolarHBondContact O-N 2.68Å; N182-C187 WeakPolarHBondContact CA-O 3.33Å; N182-C187 WeakPolarHBondContact CB-O 3.41Å; N182-C187 PolarHBondContact ND2-O 3.41Å; N182-M207 HydrophobicContact CB-SD 3.57Å; N182-M207 VanDerWaalsContact CB-SD 3.57Å
183R96Very high97.3Very high157 Ų15727.6 Ų27.659%0.59213%0.133SC*.Hα-helixtrans-77.1-42.7-178.3-72.3-175.160.2-167.1-6.4113.9G179 H180 Y211G179-R183 WeakPolarHBondContact O-CG 3.46Å; G179-R183 PolarHBondContact O-N 3.4Å; H180-R183 PolarHBondContact O-N 3.38Å; H180-R183 VanDerWaalsContact O-N 3.13Å; R183-Y211 HydrophobicContact CG-CE2 4.33Å
184E96.6Very high97.1Very high119 Ų11927.6 Ų27.656%0.55614%0.135SC*.Hα-helixtrans-86.6-32.7-173.3-60.1-54131.500112.7H180H180-E184 WeakPolarHBondContact O-CG 3.3Å; H180-E184 PolarHBondContact O-N 3.3Å
185L96Very high96.7Very high49 Ų4929.8 Ų29.826%0.25715%0.147SC..Hα-helixtrans-122.89.3-173.6-61.7178.4000113.8R66 I68 V120 V122 L181 C187R66-L185 PolarHBondContact NH2-O 3.27Å; I68-L185 HydrophobicContact CD1-CB 3.8Å; I68-L185 HydrophobicContact CD1-CD1 3.68Å; I68-L185 HydrophobicContact CD1-CG 4.41Å; I68-L185 HydrophobicContact CG1-CD1 4.28Å; V120-L185 HydrophobicContact CG1-CD1 4.5Å; V122-L185 HydrophobicContact CG1-CD1 4.13Å; L181-L185 HydrophobicContact CD2-CD1 3.98Å; L181-L185 CarbonylContact O-C 3.49Å; L181-L185 WeakPolarHBondContact O-CA 3.35Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 2.92Å; L185-C187 PolarHBondContact O-N 3Å
186N95.8Very high96.6Very high84 Ų8431 Ų3145%0.44915%0.153SC..  trans53.736.2-176.9-168.941.2000112.2L181 N182 K188L181-N186 PolarHBondContact O-N 2.89Å; N182-N186 WeakPolarHBondContact O-CA 3.45Å; N182-N186 PolarHBondContact O-N 2.68Å; N186-K188 PolarHBondContact O-N 3.28Å; N186-K188 WeakPolarHBondContact OD1-CE 3.47Å
187C97.9Very high96.5Very high0 Ų034 Ų340%016%0.164CC..EExtended strand (participates in β ladder)trans-71.5124.4178-174.10000111.1T34 Y36 I68 L181 N182 L185T34-C187 HydrophobicContact CG2-CB 4.22Å; Y36-C187 VanDerWaalsContact CD1-SG 3.55Å; I68-C187 HydrophobicContact CD1-CB 3.92Å; L181-C187 HydrophobicContact CB-CB 3.73Å; L181-C187 WeakPolarHBondContact O-CB 3.24Å; L181-C187 PolarHBondContact O-N 3.46Å; L181-C187 VanDerWaalsContact O-N 3.1Å; N182-C187 WeakPolarHBondContact CA-O 3.33Å; N182-C187 WeakPolarHBondContact CB-O 3.41Å; N182-C187 PolarHBondContact ND2-O 3.41Å; L185-C187 PolarHBondContact O-N 3Å
188K98.1Very high96.3Very high14 Ų1434.5 Ų34.56%0.06117%0.17CC..EExtended strand (participates in β ladder)trans-115-17.9-175-61.1-172178.5-163.90114.3L27 E31 V33 T34 N186 D215 A216 Y217L27-K188 HydrophobicContact CD1-CD 3.81Å; L27-K188 HydrophobicContact CD2-CB 3.9Å; L27-K188 HydrophobicContact CD2-CD 3.92Å; L27-K188 HydrophobicContact CG-CD 4.49Å; E31-K188 WeakPolarHBondContact OE1-CE 3.47Å; E31-K188 IonicContact OE1-NZ 3.96Å; E31-K188 PolarHBondContact OE1-NZ 3.49Å; V33-K188 HydrophobicContact CG1-CB 4.2Å; T34-K188 PolarHBondContact O-N 2.92Å; N186-K188 PolarHBondContact O-N 3.28Å; N186-K188 WeakPolarHBondContact OD1-CE 3.47Å; K188-D215 WeakPolarHBondContact CD-OD2 3.27Å; K188-D215 WeakPolarHBondContact CE-OD2 3.49Å; K188-D215 IonicContact NZ-OD2 2.86Å; K188-D215 PolarHBondContact NZ-OD2 2.97Å; K188-A216 CarbonylContact O-C 3.56Å; K188-A216 VanDerWaalsContact O-CA 3.28Å; K188-A216 WeakPolarHBondContact O-CA 3.18Å; K188-Y217 PolarHBondContact O-N 3.21Å
189I98.5Very high96.2Very high1 Ų134.5 Ų34.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-128.6132.1-179.6-53.4-178.5000109.9I24 L27 L28 V33 L35 Y36 V191 Y217 L219I24-I189 HydrophobicContact CG2-CD1 4.25Å; L27-I189 HydrophobicContact CD2-CD1 4.36Å; L27-I189 HydrophobicContact CD2-CG1 4.37Å; L28-I189 HydrophobicContact CD2-CD1 4.33Å; V33-I189 HydrophobicContact CG1-CD1 3.84Å; V33-I189 HydrophobicContact CG1-CG1 3.92Å; L35-I189 CarbonylContact C-O 3.5Å; L35-I189 WeakPolarHBondContact CA-O 3.35Å; L35-I189 HydrophobicContact CB-CB 3.79Å; L35-I189 HydrophobicContact CB-CG2 4.47Å; L35-I189 WeakPolarHBondContact CB-O 3.44Å; Y36-I189 PolarHBondContact N-O 3.36Å; I189-V191 HydrophobicContact CG2-CG2 4.19Å; I189-Y217 WeakPolarHBondContact CA-O 3.46Å; I189-L219 HydrophobicContact CG2-CB 4.3Å
190Q98.6Very high96.1Very high3 Ų334.3 Ų34.31%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-103.2128.9165.2-172.4176.7166.600109.8Y36 F178 I200 Y217 L219Y36-Q190 HydrophobicContact CD1-CB 3.9Å; Y36-Q190 HydrophobicContact CD1-CG 3.9Å; Y36-Q190 HydrophobicContact CE1-CB 3.46Å; Y36-Q190 VanDerWaalsContact CE1-CB 3.46Å; Y36-Q190 HydrophobicContact CE1-CG 3.32Å; Y36-Q190 HydrophobicContact CE2-CG 4.14Å; Y36-Q190 VanDerWaalsContact CZ-CG 3.48Å; Y36-Q190 WeakPolarHBondContact O-CA 3.45Å; Y36-Q190 PolarHBondContact OH-NE2 3.14Å; Y36-Q190 PolarHBondContact OH-OE1 3.13Å; F178-Q190 HydrophobicContact CD1-CB 4.07Å; F178-Q190 HydrophobicContact CE1-CB 3.71Å; F178-Q190 HydrophobicContact CE2-CB 4.44Å; F178-Q190 HydrophobicContact CZ-CB 3.92Å; Q190-I200 HydrophobicContact CB-CG1 4.37Å; Q190-I200 HydrophobicContact CB-CG2 4.16Å; Q190-I200 VanDerWaalsContact CD-CG1 3.48Å; Q190-I200 HydrophobicContact CG-CD1 4.48Å; Q190-I200 HydrophobicContact CG-CG1 3.82Å; Q190-I200 HydrophobicContact CG-CG2 4.5Å; Q190-Y217 PolarHBondContact N-O 3.31Å; Q190-L219 PolarHBondContact O-N 3.06Å
191V98.2Very high96.1Very high2 Ų232.8 Ų32.81%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-109.6139.5174.5-173.50000109.7L35 Y36 C37 T56 L57 I189 L219 I221L35-V191 HydrophobicContact CD1-CG2 3.83Å; Y36-V191 PolarHBondContact O-N 3.05Å; C37-V191 WeakPolarHBondContact CB-O 3.38Å; C37-V191 PolarHBondContact SG-O 3.44Å; T56-V191 HydrophobicContact CG2-CG1 4.06Å; L57-V191 HydrophobicContact CD1-CB 3.64Å; L57-V191 HydrophobicContact CD1-CG1 4.09Å; L57-V191 HydrophobicContact CD1-CG2 3.9Å; I189-V191 HydrophobicContact CG2-CG2 4.19Å; V191-L219 VanDerWaalsContact CA-O 3.24Å; V191-L219 WeakPolarHBondContact CA-O 3.29Å; V191-L219 HydrophobicContact CG1-CD2 4.42Å; V191-L219 HydrophobicContact CG2-CB 4.34Å; V191-L219 HydrophobicContact CG2-CD2 4.13Å; V191-I221 HydrophobicContact CG1-CG2 4.17Å
192G95.9Very high96Very high5 Ų533 Ų335%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-158.9179174.200000113.3L219 T220 I221G192-L219 PolarHBondContact N-O 2.98Å; G192-T220 CarbonylContact O-C 3.58Å; G192-T220 VanDerWaalsContact O-CA 3.24Å; G192-T220 WeakPolarHBondContact O-CA 3.25Å; G192-I221 PolarHBondContact O-N 2.78Å
193G93.5Very high96Very high11 Ų1131.7 Ų31.711%0.11316%0.157CC..EExtended strand (participates in β ladder)trans-64.5162.9168.200000111.9D195 Q196 T220 I221G193-D195 WeakPolarHBondContact CA-OD1 3.36Å; G193-D195 PolarHBondContact O-N 3.01Å; G193-D195 VanDerWaalsContact O-N 3.16Å; G193-Q196 WeakPolarHBondContact O-CB 3.27Å; G193-Q196 PolarHBondContact O-N 3.13Å; G193-T220 WeakPolarHBondContact O-CG2 3.06Å; G193-I221 CarbonylContact C-O 3.58Å
194S92.4Very high96Very high21 Ų2125.4 Ų25.415%0.14714%0.135CC..G310 helixtrans-61-25.5-18064.50000113.4Y16 Q196 I221 L223Y16-S194 VanDerWaalsContact CE1-CB 3.48Å; S194-Q196 PolarHBondContact O-N 2.97Å; S194-I221 WeakPolarHBondContact CB-O 3.09Å; S194-I221 PolarHBondContact N-O 3.34Å; S194-L223 WeakPolarHBondContact OG-CD1 3.27Å; S194-L223 VanDerWaalsContact OG-CG 3.25Å; S194-L223 WeakPolarHBondContact OG-CG 3.49Å
195D90.9Very high96Very high61 Ų6121 Ų2133%0.32612%0.115SC..G310 helixtrans-67.1-17.817360.6-55.1000113.7G193G193-D195 WeakPolarHBondContact CA-OD1 3.36Å; G193-D195 PolarHBondContact O-N 3.01Å; G193-D195 VanDerWaalsContact O-N 3.16Å
196Q94.9Very high96Very high26 Ų2618.9 Ų18.912%0.12110%0.103CC..G310 helixtrans-89.5-2.9-177.6-63.6-60.9-48.600114.1D80 G193 S194 G198 N199 I200D80-Q196 PolarHBondContact OD2-NE2 2.74Å; G193-Q196 WeakPolarHBondContact O-CB 3.27Å; G193-Q196 PolarHBondContact O-N 3.13Å; S194-Q196 PolarHBondContact O-N 2.97Å; Q196-G198 PolarHBondContact O-N 3.47Å; Q196-N199 PolarHBondContact O-N 3.14Å; Q196-N199 PolarHBondContact OE1-ND2 3.41Å; Q196-I200 HydrophobicContact CB-CD1 3.92Å; Q196-I200 HydrophobicContact CB-CG1 4.32Å; Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.27Å
197W95.1Very high96Very high67 Ų6714.9 Ų14.925%0.2548%0.082SC..Hα-helixtrans-53.6-41.6-176.7-177.5-111.1000113Q17 T19 N199 T201 T220Q17-W197 HydrophobicContact CB-CD2 4.17Å; Q17-W197 HydrophobicContact CB-CE3 3.75Å; Q17-W197 HydrophobicContact CB-CH2 4.11Å; Q17-W197 HydrophobicContact CB-CZ2 4.49Å; Q17-W197 HydrophobicContact CB-CZ3 3.72Å; T19-W197 HydrophobicContact CG2-CH2 3.66Å; T19-W197 HydrophobicContact CG2-CZ2 4.38Å; T19-W197 HydrophobicContact CG2-CZ3 4.32Å; W197-N199 PolarHBondContact O-N 3.44Å; W197-T201 HydrophobicContact CD2-CG2 3.94Å; W197-T201 HydrophobicContact CE3-CG2 4.38Å; W197-T201 HydrophobicContact CG-CG2 4.46Å; W197-T201 HydrophobicContact CH2-CG2 4.17Å; W197-T201 HydrophobicContact CZ2-CG2 3.69Å; W197-T201 HydrophobicContact CZ3-CG2 4.49Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 WeakPolarHBondContact O-CG2 3.4Å; W197-T201 PolarHBondContact O-N 3.41Å; W197-T201 PolarHBondContact O-OG1 3.3Å; W197-T220 HydrophobicContact CB-CG2 4.23Å; W197-T220 HydrophobicContact CE3-CG2 3.82Å
198G94.3Very high96Very high13 Ų1320.6 Ų20.613%0.13410%0.103CC..Hα-helixtrans-61-42.217900000113K152 Q196 T201 S202K152-G198 PolarHBondContact NZ-O 2.83Å; Q196-G198 PolarHBondContact O-N 3.47Å; G198-T201 PolarHBondContact O-OG1 3.35Å; G198-T201 VanDerWaalsContact O-OG1 3.14Å; G198-S202 WeakPolarHBondContact O-CB 3.3Å; G198-S202 PolarHBondContact O-N 3.25Å; G198-S202 PolarHBondContact O-OG 2.93Å
199N96.1Very high95.8Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-76-43.4-179.8-64.6-27.6000111.6S82 T171 Q174 Q196 W197 T201 S202 G203S82-N199 PolarHBondContact OG-ND2 3.09Å; T171-N199 WeakPolarHBondContact CB-OD1 3.34Å; T171-N199 PolarHBondContact OG1-OD1 3.22Å; Q174-N199 HydrophobicContact CB-CB 4.49Å; Q174-N199 HydrophobicContact CG-CB 4.23Å; Q174-N199 PolarHBondContact OE1-ND2 3Å; Q196-N199 PolarHBondContact O-N 3.14Å; Q196-N199 PolarHBondContact OE1-ND2 3.41Å; W197-N199 PolarHBondContact O-N 3.44Å; N199-T201 PolarHBondContact O-N 3.41Å; N199-S202 WeakPolarHBondContact O-CB 3.46Å; N199-S202 PolarHBondContact O-N 3Å; N199-S202 VanDerWaalsContact O-N 3.1Å; N199-G203 PolarHBondContact O-N 3.13Å
200I97.2Very high95.6Very high0 Ų027.5 Ų27.50%013%0.132CC..Hα-helixtrans-55.8-51.8176.7-68.6164.8000111Q190 Q196 S202 G203 I204 G218 T220Q190-I200 HydrophobicContact CB-CG1 4.37Å; Q190-I200 HydrophobicContact CB-CG2 4.16Å; Q190-I200 VanDerWaalsContact CD-CG1 3.48Å; Q190-I200 HydrophobicContact CG-CD1 4.48Å; Q190-I200 HydrophobicContact CG-CG1 3.82Å; Q190-I200 HydrophobicContact CG-CG2 4.5Å; Q196-I200 HydrophobicContact CB-CD1 3.92Å; Q196-I200 HydrophobicContact CB-CG1 4.32Å; Q196-I200 WeakPolarHBondContact O-CG1 3.15Å; Q196-I200 PolarHBondContact O-N 3.27Å; I200-S202 VanDerWaalsContact C-N 3.25Å; I200-S202 PolarHBondContact O-N 2.88Å; I200-G203 PolarHBondContact O-N 2.73Å; I200-G203 VanDerWaalsContact O-N 3.11Å; I200-I204 PolarHBondContact O-N 2.82Å; I200-G218 VanDerWaalsContact CG2-CA 3.43Å; I200-T220 HydrophobicContact CD1-CG2 3.51Å
201T96.2Very high95.4Very high27 Ų2732 Ų3217%0.16615%0.149CC..Hα-helixtrans-65.9-28.5179.553.40000112.7K152 W197 G198 N199 I204 E205K152-T201 PolarHBondContact NZ-OG1 3.19Å; W197-T201 HydrophobicContact CD2-CG2 3.94Å; W197-T201 HydrophobicContact CE3-CG2 4.38Å; W197-T201 HydrophobicContact CG-CG2 4.46Å; W197-T201 HydrophobicContact CH2-CG2 4.17Å; W197-T201 HydrophobicContact CZ2-CG2 3.69Å; W197-T201 HydrophobicContact CZ3-CG2 4.49Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 WeakPolarHBondContact O-CG2 3.4Å; W197-T201 PolarHBondContact O-N 3.41Å; W197-T201 PolarHBondContact O-OG1 3.3Å; G198-T201 PolarHBondContact O-OG1 3.35Å; G198-T201 VanDerWaalsContact O-OG1 3.14Å; N199-T201 PolarHBondContact O-N 3.41Å; T201-I204 PolarHBondContact O-N 2.96Å; T201-E205 WeakPolarHBondContact O-CB 3.28Å; T201-E205 PolarHBondContact O-N 3.17Å
202S96.1Very high95.2Very high5 Ų533.5 Ų33.54%0.03517%0.166CC..Hα-helixtrans-69.9-33.9173.9-58.40000111.9Y148 K152 T171 G198 N199 I200 E205 L206Y148-S202 PolarHBondContact OH-OG 2.85Å; K152-S202 VanDerWaalsContact CE-OG 3.25Å; K152-S202 WeakPolarHBondContact CE-OG 3.38Å; K152-S202 PolarHBondContact NZ-OG 3.21Å; K152-S202 VanDerWaalsContact NZ-OG 3.15Å; T171-S202 VanDerWaalsContact CG2-OG 3.31Å; T171-S202 WeakPolarHBondContact CG2-OG 3.44Å; G198-S202 WeakPolarHBondContact O-CB 3.3Å; G198-S202 PolarHBondContact O-N 3.25Å; G198-S202 PolarHBondContact O-OG 2.93Å; N199-S202 WeakPolarHBondContact O-CB 3.46Å; N199-S202 PolarHBondContact O-N 3Å; N199-S202 VanDerWaalsContact O-N 3.1Å; I200-S202 VanDerWaalsContact C-N 3.25Å; I200-S202 PolarHBondContact O-N 2.88Å; S202-E205 PolarHBondContact O-N 2.89Å; S202-L206 VanDerWaalsContact O-CB 3.25Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 2.82Å
203G97.4Very high94.8Very high0 Ų041.8 Ų41.80%020%0.203CC..Hα-helixtrans-60.7-47.8170.700000112.8N199 I200 E205 L206 M207N199-G203 PolarHBondContact O-N 3.13Å; I200-G203 PolarHBondContact O-N 2.73Å; I200-G203 VanDerWaalsContact O-N 3.11Å; G203-E205 PolarHBondContact O-N 3.26Å; G203-L206 PolarHBondContact O-N 2.97Å; G203-M207 WeakPolarHBondContact O-CG 3.2Å; G203-M207 PolarHBondContact O-N 3.46Å
204I97.2Very high94.6Very high26 Ų2642.6 Ų42.613%0.13321%0.206CC..Hα-helixtrans-62.1-45.2177-58.5170000110.7T19 F178 I200 T201 M207 R208 T214 A216T19-I204 HydrophobicContact CG2-CD1 3.82Å; F178-I204 HydrophobicContact CD1-CG1 4.25Å; F178-I204 HydrophobicContact CE1-CD1 4.43Å; F178-I204 HydrophobicContact CE1-CG1 3.69Å; I200-I204 PolarHBondContact O-N 2.82Å; T201-I204 PolarHBondContact O-N 2.96Å; I204-M207 PolarHBondContact O-N 3.15Å; I204-R208 WeakPolarHBondContact O-CB 3.42Å; I204-R208 PolarHBondContact O-N 3.07Å; I204-T214 HydrophobicContact CG2-CG2 4.17Å; I204-A216 HydrophobicContact CG1-CB 4.48Å
205E95.9Very high94.5Very high27 Ų2744.7 Ų44.713%0.12622%0.215CC..Hα-helixtrans-61.9-44.2177.7-178.666.5-160.300112.2Y148 T201 S202 G203 R208 R209Y148-E205 HydrophobicContact CE2-CG 4.31Å; T201-E205 WeakPolarHBondContact O-CB 3.28Å; T201-E205 PolarHBondContact O-N 3.17Å; S202-E205 PolarHBondContact O-N 2.89Å; G203-E205 PolarHBondContact O-N 3.26Å; E205-R208 WeakPolarHBondContact O-CB 3.41Å; E205-R208 PolarHBondContact O-N 3.33Å; E205-R208 IonicContact OE1-CZ 3.79Å; E205-R208 IonicContact OE1-NH2 2.74Å; E205-R208 PolarHBondContact OE1-NH2 3.04Å; E205-R208 IonicContact OE2-CZ 2.68Å; E205-R208 IonicContact OE2-NE 3.03Å; E205-R208 IonicContact OE2-NH1 3.57Å; E205-R208 PolarHBondContact OE2-NH1 2.79Å; E205-R208 IonicContact OE2-NH2 2.64Å; E205-R208 PolarHBondContact OE2-NH2 3.33Å; E205-R209 WeakPolarHBondContact O-CG 3.43Å; E205-R209 PolarHBondContact O-N 3.04Å; E205-R209 IonicContact OE1-CZ 2.81Å; E205-R209 VanDerWaalsContact OE1-CZ 3.24Å; E205-R209 IonicContact OE1-NE 2.89Å; E205-R209 PolarHBondContact OE1-NE 2.8Å; E205-R209 IonicContact OE1-NH2 3.24Å; E205-R209 PolarHBondContact OE1-NH2 2.63Å
206L96.3Very high94.8Very high3 Ų342 Ų422%0.01620%0.202CC..Hα-helixtrans-62.9-49179.5-178.864.6000110.5Y140 H143 V144 A175 I176 S202 G203 R208 R209 M210Y140-L206 HydrophobicContact CD1-CD2 4.22Å; H143-L206 HydrophobicContact CB-CD1 3.7Å; V144-L206 HydrophobicContact CG2-CD1 4.01Å; A175-L206 HydrophobicContact CB-CB 4.01Å; A175-L206 HydrophobicContact CB-CD2 3.53Å; A175-L206 HydrophobicContact CB-CG 4.42Å; I176-L206 HydrophobicContact CG1-CD2 4.18Å; S202-L206 VanDerWaalsContact O-CB 3.25Å; S202-L206 WeakPolarHBondContact O-CB 3.49Å; S202-L206 PolarHBondContact O-N 2.82Å; G203-L206 PolarHBondContact O-N 2.97Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.19Å; L206-R209 PolarHBondContact O-N 2.7Å; L206-R209 VanDerWaalsContact O-N 3.14Å; L206-M210 HydrophobicContact CD1-CG 4.09Å; L206-M210 HydrophobicContact CD1-SD 3.73Å; L206-M210 HydrophobicContact CD2-SD 4.22Å; L206-M210 HydrophobicContact CG-CG 4.35Å; L206-M210 HydrophobicContact CG-SD 3.69Å; L206-M210 WeakPolarHBondContact O-CB 3.37Å; L206-M210 VanDerWaalsContact O-CG 3.31Å; L206-M210 WeakPolarHBondContact O-CG 3.28Å; L206-M210 PolarHBondContact O-N 3.43Å
207M96.6Very high94.9Very high1 Ų142.5 Ų42.51%0.00520%0.203CC..Hα-helixtrans-56.1-44174.1-74.2-171.8-72.200111.3F178 N182 G203 I204 R209 M210 Y211 T214 A216F178-M207 HydrophobicContact CB-CE 4.17Å; F178-M207 HydrophobicContact CD1-CE 3.5Å; F178-M207 HydrophobicContact CD2-CE 3.72Å; F178-M207 HydrophobicContact CD2-SD 4.38Å; F178-M207 HydrophobicContact CE1-CE 3.77Å; F178-M207 HydrophobicContact CE2-CE 3.95Å; F178-M207 HydrophobicContact CG-CE 3.5Å; F178-M207 VanDerWaalsContact CG-CE 3.5Å; F178-M207 HydrophobicContact CG-SD 4.43Å; F178-M207 HydrophobicContact CZ-CE 3.99Å; N182-M207 HydrophobicContact CB-SD 3.57Å; N182-M207 VanDerWaalsContact CB-SD 3.57Å; G203-M207 WeakPolarHBondContact O-CG 3.2Å; G203-M207 PolarHBondContact O-N 3.46Å; I204-M207 PolarHBondContact O-N 3.15Å; M207-R209 VanDerWaalsContact C-N 3.3Å; M207-R209 PolarHBondContact O-N 2.84Å; M207-M210 PolarHBondContact O-N 3.46Å; M207-Y211 HydrophobicContact CB-CD2 4.2Å; M207-Y211 HydrophobicContact CG-CD2 4.23Å; M207-Y211 HydrophobicContact CG-CE2 4.25Å; M207-Y211 PolarHBondContact O-N 3.38Å; M207-T214 HydrophobicContact CB-CG2 4.4Å; M207-A216 HydrophobicContact CE-CB 3.3Å; M207-A216 HydrophobicContact SD-CB 4.31Å
208R96.3Very high95.1Very high120 Ų12039.3 Ų39.345%0.45319%0.191SC..Hα-helixtrans-58.2-42.5178-167.5-178.773.6-141.41.1112.7I204 E205 L206 G212I204-R208 WeakPolarHBondContact O-CB 3.42Å; I204-R208 PolarHBondContact O-N 3.07Å; E205-R208 WeakPolarHBondContact O-CB 3.41Å; E205-R208 PolarHBondContact O-N 3.33Å; E205-R208 IonicContact OE1-CZ 3.79Å; E205-R208 IonicContact OE1-NH2 2.74Å; E205-R208 PolarHBondContact OE1-NH2 3.04Å; E205-R208 IonicContact OE2-CZ 2.68Å; E205-R208 IonicContact OE2-NE 3.03Å; E205-R208 IonicContact OE2-NH1 3.57Å; E205-R208 PolarHBondContact OE2-NH1 2.79Å; E205-R208 IonicContact OE2-NH2 2.64Å; E205-R208 PolarHBondContact OE2-NH2 3.33Å; L206-R208 VanDerWaalsContact C-N 3.27Å; L206-R208 PolarHBondContact O-N 3.19Å; R208-G212 VanDerWaalsContact CA-O 3.23Å; R208-G212 WeakPolarHBondContact CA-O 3.48Å; R208-G212 WeakPolarHBondContact O-CA 3.49Å; R208-G212 PolarHBondContact O-N 2.91Å; R208-G212 VanDerWaalsContact O-N 3.11Å
209R95.2Very high95.3Very high111 Ų11138.9 Ų38.942%0.41919%0.185SC..Hα-helixtrans-75-29.3-179.3-69.7-179.8-174.5-142.7-3.4113.5H143 E205 L206 M207H143-R209 HydrophobicContact CB-CB 4.05Å; H143-R209 PolarHBondContact CE1-O 2.83Å; H143-R209 WeakPolarHBondContact O-CD 3.43Å; H143-R209 PolarHBondContact O-NE 3.11Å; H143-R209 PolarHBondContact O-NH1 3.26Å; E205-R209 WeakPolarHBondContact O-CG 3.43Å; E205-R209 PolarHBondContact O-N 3.04Å; E205-R209 IonicContact OE1-CZ 2.81Å; E205-R209 VanDerWaalsContact OE1-CZ 3.24Å; E205-R209 IonicContact OE1-NE 2.89Å; E205-R209 PolarHBondContact OE1-NE 2.8Å; E205-R209 IonicContact OE1-NH2 3.24Å; E205-R209 PolarHBondContact OE1-NH2 2.63Å; L206-R209 PolarHBondContact O-N 2.7Å; L206-R209 VanDerWaalsContact O-N 3.14Å; M207-R209 VanDerWaalsContact C-N 3.3Å; M207-R209 PolarHBondContact O-N 2.84Å
210M94.3Very high95.4Very high49 Ų4938.9 Ų38.924%0.24119%0.185CC..Hα-helixtrans-87.5-41-178.2-70.3-178.672.300112.8Y140 L206 M207Y140-M210 HydrophobicContact CD1-CE 3.64Å; Y140-M210 HydrophobicContact CD1-SD 3.61Å; Y140-M210 HydrophobicContact CE1-CE 3.54Å; Y140-M210 HydrophobicContact CE1-SD 3.96Å; L206-M210 HydrophobicContact CD1-CG 4.09Å; L206-M210 HydrophobicContact CD1-SD 3.73Å; L206-M210 HydrophobicContact CD2-SD 4.22Å; L206-M210 HydrophobicContact CG-CG 4.35Å; L206-M210 HydrophobicContact CG-SD 3.69Å; L206-M210 WeakPolarHBondContact O-CB 3.37Å; L206-M210 VanDerWaalsContact O-CG 3.31Å; L206-M210 WeakPolarHBondContact O-CG 3.28Å; L206-M210 PolarHBondContact O-N 3.43Å; M207-M210 PolarHBondContact O-N 3.46Å
211Y93Very high95.3Very high96 Ų9639 Ų3938%0.37619%0.186SC..Hα-helixtrans-119.9-6.8-166.4-48.4-46.3000113.8R183 M207R183-Y211 HydrophobicContact CG-CE2 4.33Å; M207-Y211 HydrophobicContact CB-CD2 4.2Å; M207-Y211 HydrophobicContact CG-CD2 4.23Å; M207-Y211 HydrophobicContact CG-CE2 4.25Å; M207-Y211 PolarHBondContact O-N 3.38Å
212G93.7Very high95.2Very high35 Ų3538.7 Ų38.736%0.36118%0.184SC..SBendtrans90.4-156.6-175.600000112.3R208 T214R208-G212 VanDerWaalsContact CA-O 3.23Å; R208-G212 WeakPolarHBondContact CA-O 3.48Å; R208-G212 WeakPolarHBondContact O-CA 3.49Å; R208-G212 PolarHBondContact O-N 2.91Å; R208-G212 VanDerWaalsContact O-N 3.11Å; G212-T214 PolarHBondContact O-N 2.56Å
213Q89.1Confident94.9Very high179 Ų17943.2 Ų43.284%0.83621%0.207SC*.SBendtrans-55.9132.3-178.9-171.365.627.200110.9
214T88.9Confident94.6Very high27 Ų2744.3 Ų44.317%0.16621%0.214CC..  trans-120.6148.1-179.8179.60000110.2I204 M207 G212 A216I204-T214 HydrophobicContact CG2-CG2 4.17Å; M207-T214 HydrophobicContact CB-CG2 4.4Å; G212-T214 PolarHBondContact O-N 2.56Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 HydrophobicContact CG2-CB 4.18Å; T214-A216 WeakPolarHBondContact OG1-CB 3.32Å; T214-A216 PolarHBondContact OG1-N 3.35Å; T214-A216 VanDerWaalsContact OG1-N 3.15Å
215D89.8Confident94Very high65 Ų6547.3 Ų47.335%0.34823%0.234SC..  trans-96.628.716965.4-22.1000111.5K188 Y217K188-D215 WeakPolarHBondContact CD-OD2 3.27Å; K188-D215 WeakPolarHBondContact CE-OD2 3.49Å; K188-D215 IonicContact NZ-OD2 2.86Å; K188-D215 PolarHBondContact NZ-OD2 2.97Å; D215-Y217 WeakPolarHBondContact O-CD2 3.38Å; D215-Y217 WeakPolarHBondContact O-CE2 3.44Å
216A97.2Very high93.6Very high6 Ų647.7 Ų47.75%0.0524%0.235CC..  trans-88.1135.3175.600000112.1F178 K188 I204 M207 T214F178-A216 HydrophobicContact CE1-CB 4.18Å; F178-A216 HydrophobicContact CE2-CB 4.17Å; F178-A216 HydrophobicContact CZ-CB 3.72Å; K188-A216 CarbonylContact O-C 3.56Å; K188-A216 VanDerWaalsContact O-CA 3.28Å; K188-A216 WeakPolarHBondContact O-CA 3.18Å; I204-A216 HydrophobicContact CG1-CB 4.48Å; M207-A216 HydrophobicContact CE-CB 3.3Å; M207-A216 HydrophobicContact SD-CB 4.31Å; T214-A216 VanDerWaalsContact C-N 3.28Å; T214-A216 HydrophobicContact CG2-CB 4.18Å; T214-A216 WeakPolarHBondContact OG1-CB 3.32Å; T214-A216 PolarHBondContact OG1-N 3.35Å; T214-A216 VanDerWaalsContact OG1-N 3.15Å
217Y98.2Very high93.1Very high35 Ų3550.9 Ų50.914%0.13726%0.258CS..EExtended strand (participates in β ladder)trans-124.8158.8-177.7-54.7-87.1000111.6T19 D20 I24 L27 F178 K188 I189 Q190 D215T19-Y217 VanDerWaalsContact OG1-CA 3.26Å; T19-Y217 WeakPolarHBondContact OG1-CA 3.45Å; T19-Y217 WeakPolarHBondContact OG1-CB 3.38Å; D20-Y217 HydrophobicContact CB-CD1 4.18Å; D20-Y217 HydrophobicContact CB-CE1 3.92Å; I24-Y217 HydrophobicContact CD1-CD1 4.48Å; I24-Y217 HydrophobicContact CD1-CG 4.4Å; I24-Y217 HydrophobicContact CG1-CD1 3.68Å; I24-Y217 HydrophobicContact CG1-CD2 4.31Å; I24-Y217 HydrophobicContact CG1-CE1 4.42Å; I24-Y217 HydrophobicContact CG1-CG 3.62Å; L27-Y217 HydrophobicContact CD2-CD2 3.98Å; L27-Y217 HydrophobicContact CD2-CE2 3.86Å; F178-Y217 WeakPolarHBondContact CZ-O 3.31Å; K188-Y217 PolarHBondContact O-N 3.21Å; I189-Y217 WeakPolarHBondContact CA-O 3.46Å; Q190-Y217 PolarHBondContact N-O 3.31Å; D215-Y217 WeakPolarHBondContact O-CD2 3.38Å; D215-Y217 WeakPolarHBondContact O-CE2 3.44Å
218G98.1Very high92.6Very high0 Ų054.9 Ų54.90%028%0.279CS..EExtended strand (participates in β ladder)trans-121.1139174.300000110.9Q18 T19 I200Q18-G218 CarbonylContact C-O 3.56Å; Q18-G218 VanDerWaalsContact CA-O 3.22Å; Q18-G218 WeakPolarHBondContact CA-O 3.46Å; T19-G218 PolarHBondContact N-O 3.19Å; T19-G218 PolarHBondContact OG1-N 2.8Å; T19-G218 PolarHBondContact OG1-O 2.88Å; I200-G218 VanDerWaalsContact CG2-CA 3.43Å
219L98.1Very high91.8Very high4 Ų452.6 Ų52.62%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-132.2129.8174.118076.3000108.1I15 Q18 F60 I189 Q190 V191 G192I15-L219 HydrophobicContact CB-CD1 4.49Å; I15-L219 HydrophobicContact CD1-CD1 4.44Å; I15-L219 HydrophobicContact CG1-CD1 4.2Å; I15-L219 HydrophobicContact CG2-CD1 3.93Å; Q18-L219 HydrophobicContact CB-CD1 3.83Å; F60-L219 HydrophobicContact CE2-CD2 4.07Å; F60-L219 HydrophobicContact CZ-CD2 4.05Å; I189-L219 HydrophobicContact CG2-CB 4.3Å; Q190-L219 PolarHBondContact O-N 3.06Å; V191-L219 VanDerWaalsContact CA-O 3.24Å; V191-L219 WeakPolarHBondContact CA-O 3.29Å; V191-L219 HydrophobicContact CG1-CD2 4.42Å; V191-L219 HydrophobicContact CG2-CB 4.34Å; V191-L219 HydrophobicContact CG2-CD2 4.13Å; G192-L219 PolarHBondContact N-O 2.98Å
220T97.8Very high91Very high0 Ų053.6 Ų53.60%030%0.3CS..EExtended strand (participates in β ladder)trans-118146170.357.70000111.1Y16 Q17 G192 G193 W197 I200Y16-T220 WeakPolarHBondContact CA-O 3.44Å; Y16-T220 WeakPolarHBondContact CB-O 3.47Å; Y16-T220 PolarHBondContact N-O 2.85Å; Q17-T220 WeakPolarHBondContact CB-OG1 3.32Å; Q17-T220 PolarHBondContact N-O 2.71Å; Q17-T220 PolarHBondContact N-OG1 3.23Å; Q17-T220 PolarHBondContact O-N 2.64Å; Q17-T220 PolarHBondContact O-OG1 3Å; G192-T220 CarbonylContact O-C 3.58Å; G192-T220 VanDerWaalsContact O-CA 3.24Å; G192-T220 WeakPolarHBondContact O-CA 3.25Å; G193-T220 WeakPolarHBondContact O-CG2 3.06Å; W197-T220 HydrophobicContact CB-CG2 4.23Å; W197-T220 HydrophobicContact CE3-CG2 3.82Å; I200-T220 HydrophobicContact CD1-CG2 3.51Å
221I96.5Very high90.2Very high3 Ų358.9 Ų58.92%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-98.2157.1173.975.4-177.8000110L14 L52 P53 T56 V191 G192 G193 S194L14-I221 WeakPolarHBondContact O-CA 3.3Å; L14-I221 WeakPolarHBondContact O-CB 3.42Å; L14-I221 VanDerWaalsContact O-CG2 3.32Å; L14-I221 WeakPolarHBondContact O-CG2 3.24Å; L52-I221 HydrophobicContact CB-CD1 3.79Å; L52-I221 HydrophobicContact CD2-CD1 3.85Å; L52-I221 HydrophobicContact CD2-CG1 4.44Å; L52-I221 HydrophobicContact CG-CD1 3.65Å; P53-I221 HydrophobicContact CB-CD1 4.03Å; P53-I221 VanDerWaalsContact CD-CD1 3.47Å; P53-I221 HydrophobicContact CG-CD1 3.52Å; P53-I221 HydrophobicContact CG-CG1 4.5Å; P53-I221 VanDerWaalsContact N-CD1 3.28Å; T56-I221 HydrophobicContact CG2-CG2 4.15Å; V191-I221 HydrophobicContact CG1-CG2 4.17Å; G192-I221 PolarHBondContact O-N 2.78Å; G193-I221 CarbonylContact C-O 3.58Å; S194-I221 WeakPolarHBondContact CB-O 3.09Å; S194-I221 PolarHBondContact N-O 3.34Å
222P93.9Very high89.8Confident20 Ų2055.3 Ų55.313%0.1331%0.308CS..PPolyproline II helixtrans-67.8148.9178.528-34.9000111.5G13 Y16 V224 Y270G13-P222 WeakPolarHBondContact O-CG 3.44Å; Y16-P222 HydrophobicContact CD2-CB 4.32Å; P222-V224 PolarHBondContact O-N 3.14Å; P222-Y270 HydrophobicContact CG-CE2 4.44Å; P222-Y270 VanDerWaalsContact CG-OH 3.27Å; P222-Y270 WeakPolarHBondContact CG-OH 3.34Å
223L89.8Confident88.8Confident100 Ų10053.8 Ų53.852%0.52429%0.293SS..PPolyproline II helixtrans-62134.3164.2-76.3165.3000109.9S194 T225S194-L223 WeakPolarHBondContact OG-CD1 3.27Å; S194-L223 VanDerWaalsContact OG-CG 3.25Å; S194-L223 WeakPolarHBondContact OG-CG 3.49Å; L223-T225 PolarHBondContact O-N 3.43Å
224V90.1Very high87.9Confident24 Ų2451.9 Ų51.915%0.14528%0.281CS..  trans-75113.5179.1-168.30000109.3L52 P222 F232 F267 Y270 F271L52-V224 HydrophobicContact CB-CG2 4.32Å; L52-V224 HydrophobicContact CD2-CG2 3.59Å; P222-V224 PolarHBondContact O-N 3.14Å; V224-F232 HydrophobicContact CB-CB 3.94Å; V224-F232 HydrophobicContact CB-CD1 3.71Å; V224-F232 HydrophobicContact CB-CE1 4.36Å; V224-F232 HydrophobicContact CB-CG 3.81Å; V224-F232 HydrophobicContact CG1-CB 3.79Å; V224-F232 HydrophobicContact CG1-CD1 3.53Å; V224-F232 HydrophobicContact CG1-CD2 3.59Å; V224-F232 HydrophobicContact CG1-CE1 3.95Å; V224-F232 HydrophobicContact CG1-CE2 4Å; V224-F232 HydrophobicContact CG1-CG 3.33Å; V224-F232 HydrophobicContact CG1-CZ 4.17Å; V224-F232 HydrophobicContact CG2-CD1 4.38Å; V224-F232 WeakPolarHBondContact O-CB 3.25Å; V224-F267 HydrophobicContact CG1-CD1 4.34Å; V224-F267 HydrophobicContact CG1-CE1 3.61Å; V224-F267 HydrophobicContact CG1-CZ 4.33Å; V224-Y270 HydrophobicContact CG1-CD2 4.46Å; V224-Y270 HydrophobicContact CG2-CD2 4.42Å; V224-F271 HydrophobicContact CG1-CE2 4.17Å; V224-F271 HydrophobicContact CG1-CZ 4.13Å; V224-F271 HydrophobicContact CG2-CZ 4.05Å
225T86Confident86.9Confident89 Ų8952.6 Ų52.655%0.54629%0.288SS..BIsolated β-bridgetrans-114.7145177.1570000110.4L223 K266L223-T225 PolarHBondContact O-N 3.43Å; T225-K266 PolarHBondContact O-NZ 2.91Å
226K86.2Confident85.6Confident35 Ų3559.3 Ų59.315%0.15232%0.317CS..  trans-87.2151.2168.1-68.4-176.2171.3-174.90110D228 G229 K230 F232 F267K226-D228 WeakPolarHBondContact CB-OD1 3.21Å; K226-D228 PolarHBondContact O-N 3.29Å; K226-G229 PolarHBondContact O-N 3.11Å; K226-G229 VanDerWaalsContact O-N 3.13Å; K226-K230 HydrophobicContact CD-CB 4.3Å; K226-F232 HydrophobicContact CG-CD2 4.42Å; K226-F267 HydrophobicContact CG-CZ 4.29Å
227S86.8Confident84Confident69 Ų6962.9 Ų62.948%0.48334%0.342SS..THydrogen-bonded Turntrans-61.9-26.6177.559.60000112.8G229 D263S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 3.21Å; S227-D263 PolarHBondContact N-OD1 2.96Å; S227-D263 VanDerWaalsContact N-OD1 3.11Å; S227-D263 PolarHBondContact N-OD2 3.42Å; S227-D263 PolarHBondContact OG-OD2 3.17Å
228D85Confident83.3Confident86 Ų8662.7 Ų62.746%0.4635%0.35SS..THydrogen-bonded Turntrans-81.91.5177.374.1-7.6000114.5K226 K230K226-D228 WeakPolarHBondContact CB-OD1 3.21Å; K226-D228 PolarHBondContact O-N 3.29Å; D228-K230 VanDerWaalsContact C-N 3.25Å; D228-K230 PolarHBondContact O-N 3.06Å; D228-K230 VanDerWaalsContact OD1-CB 3.25Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 WeakPolarHBondContact OD1-CG 3.3Å; D228-K230 PolarHBondContact OD1-N 3.21Å; D228-K230 WeakPolarHBondContact OD2-CD 3.42Å; D228-K230 VanDerWaalsContact OD2-CE 3.27Å; D228-K230 WeakPolarHBondContact OD2-CE 3.46Å; D228-K230 WeakPolarHBondContact OD2-CG 3.36Å; D228-K230 IonicContact OD2-NZ 3.9Å
229G80.3Confident83Confident71 Ų7164 Ų6473%0.73236%0.361SS*.SBendtrans77.9-1.9-178.500000115K226 S227K226-G229 PolarHBondContact O-N 3.11Å; K226-G229 VanDerWaalsContact O-N 3.13Å; S227-G229 VanDerWaalsContact C-N 3.29Å; S227-G229 PolarHBondContact O-N 3.21Å
230K77.8Confident82.7Confident133 Ų13364.1 Ų64.158%0.57836%0.362SS*.PPolyproline II helixtrans-71.6149.9174.1-63.8-178.8-167.8164.90110.8K226 D228 F232K226-K230 HydrophobicContact CD-CB 4.3Å; D228-K230 VanDerWaalsContact C-N 3.25Å; D228-K230 PolarHBondContact O-N 3.06Å; D228-K230 VanDerWaalsContact OD1-CB 3.25Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 WeakPolarHBondContact OD1-CG 3.3Å; D228-K230 PolarHBondContact OD1-N 3.21Å; D228-K230 WeakPolarHBondContact OD2-CD 3.42Å; D228-K230 VanDerWaalsContact OD2-CE 3.27Å; D228-K230 WeakPolarHBondContact OD2-CE 3.46Å; D228-K230 WeakPolarHBondContact OD2-CG 3.36Å; D228-K230 IonicContact OD2-NZ 3.9Å; K230-F232 PolarHBondContact O-N 3.33Å
231K77.9Confident82.7Confident160 Ų16067 Ų6770%0.69637%0.373SS*.BIsolated β-bridgetrans-63.4128.9173.5-70.5-171.2177.4-174.90109.9
232F84.7Confident82.7Confident20 Ų2067.4 Ų67.49%0.08838%0.375CS..THydrogen-bonded Turntrans-63.8147.8170.4-175.6-99.8000110.5I48 V224 K226 K230 K234 F255 W256 F267 F271I48-F232 HydrophobicContact CB-CE1 4.22Å; I48-F232 HydrophobicContact CD1-CD1 4.43Å; I48-F232 HydrophobicContact CD1-CE1 3.72Å; I48-F232 HydrophobicContact CD1-CE2 4.35Å; I48-F232 HydrophobicContact CD1-CZ 3.67Å; I48-F232 HydrophobicContact CG1-CD1 4.4Å; I48-F232 HydrophobicContact CG1-CE1 3.76Å; I48-F232 HydrophobicContact CG1-CZ 4.22Å; V224-F232 HydrophobicContact CB-CB 3.94Å; V224-F232 HydrophobicContact CB-CD1 3.71Å; V224-F232 HydrophobicContact CB-CE1 4.36Å; V224-F232 HydrophobicContact CB-CG 3.81Å; V224-F232 HydrophobicContact CG1-CB 3.79Å; V224-F232 HydrophobicContact CG1-CD1 3.53Å; V224-F232 HydrophobicContact CG1-CD2 3.59Å; V224-F232 HydrophobicContact CG1-CE1 3.95Å; V224-F232 HydrophobicContact CG1-CE2 4Å; V224-F232 HydrophobicContact CG1-CG 3.33Å; V224-F232 HydrophobicContact CG1-CZ 4.17Å; V224-F232 HydrophobicContact CG2-CD1 4.38Å; V224-F232 WeakPolarHBondContact O-CB 3.25Å; K226-F232 HydrophobicContact CG-CD2 4.42Å; K230-F232 PolarHBondContact O-N 3.33Å; F232-K234 VanDerWaalsContact C-N 3.31Å; F232-K234 PolarHBondContact O-N 2.88Å; F232-F255 HydrophobicContact CE2-CE1 4.26Å; F232-F255 HydrophobicContact CE2-CZ 4.04Å; F232-F255 HydrophobicContact CZ-CE1 4.34Å; F232-F255 HydrophobicContact CZ-CZ 4.39Å; F232-W256 HydrophobicContact CE2-CH2 4.49Å; F232-W256 HydrophobicContact CE2-CZ3 4.25Å; F232-W256 AromaticContact CZ-CH2 3.7Å; F232-W256 HydrophobicContact CZ-CH2 3.7Å; F232-W256 AromaticContact CZ-CZ3 3.89Å; F232-W256 HydrophobicContact CZ-CZ3 3.89Å; F232-F267 HydrophobicContact CD2-CE1 4.06Å; F232-F267 HydrophobicContact CD2-CE2 4.13Å; F232-F267 AromaticContact CD2-CZ 3.61Å; F232-F267 HydrophobicContact CD2-CZ 3.61Å; F232-F267 HydrophobicContact CE2-CD1 4.43Å; F232-F267 HydrophobicContact CE2-CD2 4.31Å; F232-F267 AromaticContact CE2-CE1 3.98Å; F232-F267 HydrophobicContact CE2-CE1 3.98Å; F232-F267 AromaticContact CE2-CE2 3.84Å; F232-F267 HydrophobicContact CE2-CE2 3.84Å; F232-F267 AromaticContact CE2-CZ 3.67Å; F232-F267 HydrophobicContact CE2-CZ 3.67Å; F232-F271 HydrophobicContact CD1-CZ 4.33Å; F232-F271 HydrophobicContact CE1-CE1 4.13Å; F232-F271 AromaticContact CE1-CE2 3.94Å; F232-F271 HydrophobicContact CE1-CE2 3.94Å; F232-F271 AromaticContact CE1-CZ 3.35Å; F232-F271 HydrophobicContact CE1-CZ 3.35Å; F232-F271 HydrophobicContact CE2-CE2 4.08Å; F232-F271 HydrophobicContact CE2-CZ 4.33Å; F232-F271 HydrophobicContact CZ-CD2 4.4Å; F232-F271 HydrophobicContact CZ-CE1 4.26Å; F232-F271 AromaticContact CZ-CE2 3.44Å; F232-F271 HydrophobicContact CZ-CE2 3.44Å; F232-F271 VanDerWaalsContact CZ-CE2 3.44Å; F232-F271 AromaticContact CZ-CZ 3.35Å; F232-F271 HydrophobicContact CZ-CZ 3.35Å
233G73Confident82.7Confident4 Ų468.8 Ų68.84%0.04138%0.381CS..THydrogen-bonded Turntrans81.7-0.917900000116.7A239 V240G233-A239 WeakPolarHBondContact O-CA 3.36Å; G233-V240 PolarHBondContact O-N 2.91Å
234K69.9Low82.9Confident138 Ų13865.9 Ų65.960%0.637%0.371SS*.EExtended strand (participates in β ladder)trans-107.9119.5169.1-67.9-169.2173.6-164.80110.8F232 G238F232-K234 VanDerWaalsContact C-N 3.31Å; F232-K234 PolarHBondContact O-N 2.88Å; K234-G238 CarbonylContact C-O 3.44Å; K234-G238 VanDerWaalsContact CA-O 3.3Å; K234-G238 WeakPolarHBondContact CA-O 3.15Å
235S67.6Low83Confident43 Ų4372.5 Ų72.530%0.30140%0.401SS..EExtended strand (participates in β ladder)trans-83.6176.2161.464.90000109.8S237 G238S235-S237 PolarHBondContact O-N 3.38Å; S235-S237 PolarHBondContact OG-N 3.21Å; S235-S237 PolarHBondContact OG-OG 2.8Å; S235-G238 PolarHBondContact N-O 2.64Å; S235-G238 PolarHBondContact O-N 2.91Å; S235-G238 PolarHBondContact OG-N 3.48Å; S235-G238 VanDerWaalsContact OG-N 3.07Å; S235-G238 PolarHBondContact OG-O 3.17Å; S235-G238 VanDerWaalsContact OG-O 3.09Å
236E63.8Low83.3Confident206 Ų20671.2 Ų71.296%0.96339%0.388SS*.THydrogen-bonded Turntrans-60.1-28.9168.7-64.3-176.4171.400111.8
237S62.5Low83.6Confident81 Ų8170 Ų7057%0.56638%0.384SS*.THydrogen-bonded Turntrans-88.2-11.8-179.750.90000115S235S235-S237 PolarHBondContact O-N 3.38Å; S235-S237 PolarHBondContact OG-N 3.21Å; S235-S237 PolarHBondContact OG-OG 2.8Å
238G83.8Confident83.9Confident31 Ų3167 Ų6732%0.3236%0.362SS..EExtended strand (participates in β ladder)trans133.9-146.217800000113.8K234 S235K234-G238 CarbonylContact C-O 3.44Å; K234-G238 VanDerWaalsContact CA-O 3.3Å; K234-G238 WeakPolarHBondContact CA-O 3.15Å; S235-G238 PolarHBondContact N-O 2.64Å; S235-G238 PolarHBondContact O-N 2.91Å; S235-G238 PolarHBondContact OG-N 3.48Å; S235-G238 VanDerWaalsContact OG-N 3.07Å; S235-G238 PolarHBondContact OG-O 3.17Å; S235-G238 VanDerWaalsContact OG-O 3.09Å
239A90.6Very high84.4Confident28 Ų2864.1 Ų64.123%0.23135%0.348CS..EExtended strand (participates in β ladder)trans-77.9143.6177.200000111H47 G233 W241H47-A239 HydrophobicContact CB-CB 4.19Å; G233-A239 WeakPolarHBondContact O-CA 3.36Å; A239-W241 HydrophobicContact CB-CD2 4.33Å; A239-W241 HydrophobicContact CB-CZ2 3.98Å; A239-W241 PolarHBondContact O-N 3.36Å; A239-W241 PolarHBondContact O-NE1 2.74Å
240V93.8Very high85Confident5 Ų562.5 Ų62.53%0.0332%0.32CS..  trans-88.197.4171.1-176.70000107.9H47 I48 G233 T247 F252 F255H47-V240 CarbonylContact C-O 3.55Å; H47-V240 WeakPolarHBondContact CA-O 3.24Å; H47-V240 WeakPolarHBondContact CB-O 3.16Å; I48-V240 HydrophobicContact CD1-CB 3.96Å; I48-V240 HydrophobicContact CD1-CG1 4.3Å; I48-V240 HydrophobicContact CD1-CG2 4.27Å; I48-V240 HydrophobicContact CG1-CB 4.1Å; I48-V240 HydrophobicContact CG2-CB 4.16Å; I48-V240 HydrophobicContact CG2-CG1 3.84Å; I48-V240 PolarHBondContact N-O 3.35Å; G233-V240 PolarHBondContact O-N 2.91Å; V240-T247 HydrophobicContact CG1-CG2 4.07Å; V240-F252 HydrophobicContact CG1-CD2 3.72Å; V240-F252 HydrophobicContact CG1-CE2 4.16Å; V240-F255 HydrophobicContact CG1-CB 4.34Å; V240-F255 HydrophobicContact CG1-CD1 4.47Å; V240-F255 HydrophobicContact CG1-CG 4.28Å; V240-F255 HydrophobicContact CG2-CB 4.32Å; V240-F255 HydrophobicContact CG2-CD2 3.58Å; V240-F255 HydrophobicContact CG2-CE2 3.99Å; V240-F255 HydrophobicContact CG2-CG 3.88Å
241W95.7Very high85.7Confident62 Ų6257.5 Ų57.524%0.23530%0.299CS..BIsolated β-bridgetrans-76.7154-175.7-58.396.7000111.3A43 S45 H47 A239 K246 T247A43-W241 HydrophobicContact CB-CH2 3.86Å; A43-W241 HydrophobicContact CB-CZ3 3.72Å; S45-W241 WeakPolarHBondContact O-CZ3 3.45Å; H47-W241 HydrophobicContact CB-CE3 4.13Å; A239-W241 HydrophobicContact CB-CD2 4.33Å; A239-W241 HydrophobicContact CB-CZ2 3.98Å; A239-W241 PolarHBondContact O-N 3.36Å; A239-W241 PolarHBondContact O-NE1 2.74Å; W241-K246 HydrophobicContact CB-CB 3.7Å; W241-K246 HydrophobicContact CB-CD 4.23Å; W241-K246 HydrophobicContact CD2-CD 3.83Å; W241-K246 HydrophobicContact CE3-CD 4.29Å; W241-K246 HydrophobicContact CG-CB 3.67Å; W241-K246 HydrophobicContact CG-CD 3.79Å; W241-K246 HydrophobicContact CG-CG 4.44Å; W241-T247 PolarHBondContact N-OG1 3.42Å
242L96.6Very high86.5Confident10 Ų1049.9 Ų49.95%0.05227%0.266CS..SBendtrans-83.7-16171.6-52.5-173.1000112L46 I48 L51 I110 F252 I307 H308L46-L242 HydrophobicContact CB-CD1 3.88Å; L46-L242 HydrophobicContact CB-CG 4.28Å; L46-L242 PolarHBondContact O-N 3.34Å; I48-L242 HydrophobicContact CG2-CD2 4.01Å; L51-L242 HydrophobicContact CD1-CD1 4.31Å; I110-L242 HydrophobicContact CD1-CD1 4.42Å; L242-F252 HydrophobicContact CD2-CE2 3.87Å; L242-F252 HydrophobicContact CD2-CZ 4.34Å; L242-I307 HydrophobicContact CB-CG2 4.19Å; L242-I307 HydrophobicContact CD2-CG2 4.28Å; L242-H308 PolarHBondContact O-CE1 2.89Å
243D95.5Very high87.1Confident50 Ų5049.6 Ų49.627%0.26726%0.264SS..SBendtrans-78.4122.6173.6-173.1-26.5000110.4S45 E245 K246 T247S45-D243 WeakPolarHBondContact OG-CB 3.26Å; S45-D243 PolarHBondContact OG-N 2.93Å; D243-E245 PolarHBondContact O-N 2.87Å; D243-E245 PolarHBondContact OD1-N 3.28Å; D243-K246 HydrophobicContact CB-CB 4.41Å; D243-K246 HydrophobicContact CB-CD 4.46Å; D243-K246 HydrophobicContact CB-CG 4.36Å; D243-K246 PolarHBondContact O-N 2.98Å; D243-K246 VanDerWaalsContact O-N 3.08Å; D243-T247 PolarHBondContact O-N 3.16Å
244A94Very high88.1Confident38 Ų3851.5 Ų51.531%0.31427%0.272SS..THydrogen-bonded Turntrans-60.8-26.6-178.600000113.7K246 T247 S248 P249A244-K246 VanDerWaalsContact C-N 3.33Å; A244-T247 CarbonylContact C-O 3.6Å; A244-T247 VanDerWaalsContact CA-O 3.32Å; A244-T247 WeakPolarHBondContact CA-O 3.46Å; A244-T247 CarbonylContact O-C 3.58Å; A244-S248 WeakPolarHBondContact O-CA 3.35Å; A244-S248 PolarHBondContact O-N 3.37Å; A244-P249 HydrophobicContact CB-CG 4.21Å
245E91.9Very high89.3Confident163 Ų16345.9 Ų45.976%0.76225%0.248SC*.THydrogen-bonded Turntrans-79.2-20.8178.5-63-61.7136.200112.1D243D243-E245 PolarHBondContact O-N 2.87Å; D243-E245 PolarHBondContact OD1-N 3.28Å
246K92Very high90.6Very high62 Ų6243.9 Ų43.927%0.2723%0.234SC..THydrogen-bonded Turntrans-94.1-42.6177-69.4-171.6168.3-164.70112.6D44 W241 D243 A244 K341D44-K246 WeakPolarHBondContact OD1-CE 3.47Å; D44-K246 IonicContact OD1-NZ 3.79Å; D44-K246 PolarHBondContact OD1-NZ 3.01Å; W241-K246 HydrophobicContact CB-CB 3.7Å; W241-K246 HydrophobicContact CB-CD 4.23Å; W241-K246 HydrophobicContact CD2-CD 3.83Å; W241-K246 HydrophobicContact CE3-CD 4.29Å; W241-K246 HydrophobicContact CG-CB 3.67Å; W241-K246 HydrophobicContact CG-CD 3.79Å; W241-K246 HydrophobicContact CG-CG 4.44Å; D243-K246 HydrophobicContact CB-CB 4.41Å; D243-K246 HydrophobicContact CB-CD 4.46Å; D243-K246 HydrophobicContact CB-CG 4.36Å; D243-K246 PolarHBondContact O-N 2.98Å; D243-K246 VanDerWaalsContact O-N 3.08Å; A244-K246 VanDerWaalsContact C-N 3.33Å; K246-K341 PolarHBondContact O-NZ 3.02Å
247T92.7Very high92.1Very high11 Ų1135 Ų357%0.06719%0.193CC..SBendtrans-129.7109.4173.1-61.60000106.7V240 W241 D243 A244 E251 F252V240-T247 HydrophobicContact CG1-CG2 4.07Å; W241-T247 PolarHBondContact N-OG1 3.42Å; D243-T247 PolarHBondContact O-N 3.16Å; A244-T247 CarbonylContact C-O 3.6Å; A244-T247 VanDerWaalsContact CA-O 3.32Å; A244-T247 WeakPolarHBondContact CA-O 3.46Å; A244-T247 CarbonylContact O-C 3.58Å; T247-E251 WeakPolarHBondContact CA-OE2 3.23Å; T247-E251 HydrophobicContact CG2-CB 3.73Å; T247-F252 HydrophobicContact CG2-CB 4.15Å
248S92.7Very high93.6Very high5 Ų535.8 Ų35.84%0.03519%0.191CC..  trans-57.5150.7-179.863.50000110.3A244 Y250 E251 F252A244-S248 WeakPolarHBondContact O-CA 3.35Å; A244-S248 PolarHBondContact O-N 3.37Å; S248-Y250 PolarHBondContact O-N 2.9Å; S248-Y250 VanDerWaalsContact O-N 3.09Å; S248-E251 PolarHBondContact N-OE2 3.14Å; S248-E251 PolarHBondContact O-N 2.73Å; S248-E251 WeakPolarHBondContact OG-CB 3.06Å; S248-E251 VanDerWaalsContact OG-CG 3.24Å; S248-E251 WeakPolarHBondContact OG-CG 3.18Å; S248-E251 PolarHBondContact OG-N 2.92Å; S248-E251 VanDerWaalsContact OG-N 3.12Å; S248-E251 PolarHBondContact OG-OE2 3.41Å; S248-E251 VanDerWaalsContact OG-OE2 3.07Å; S248-F252 WeakPolarHBondContact O-CB 3.42Å; S248-F252 PolarHBondContact O-N 3.3Å
249P94.8Very high94.2Very high25 Ų2534.6 Ų34.616%0.16218%0.177CC..Hα-helixtrans-54.3-30.8174.5-28.236.1000113A244 Y253 H308 A312A244-P249 HydrophobicContact CB-CG 4.21Å; P249-Y253 VanDerWaalsContact O-CB 3.23Å; P249-Y253 WeakPolarHBondContact O-CB 3.49Å; P249-Y253 PolarHBondContact O-N 2.7Å; P249-H308 HydrophobicContact CB-CB 4.43Å; P249-H308 HydrophobicContact CG-CB 4.38Å; P249-A312 HydrophobicContact CB-CB 3.96Å; P249-A312 HydrophobicContact CG-CB 3.98Å
250Y93.8Very high94.3Very high37 Ų3735 Ų3515%0.14518%0.178CC..Hα-helixtrans-63.7-53.1171.1168.8-103.3000112.7S248 F252 Y253 Q254 I319 S320 L323S248-Y250 PolarHBondContact O-N 2.9Å; S248-Y250 VanDerWaalsContact O-N 3.09Å; Y250-F252 VanDerWaalsContact C-N 3.25Å; Y250-F252 PolarHBondContact O-N 3.39Å; Y250-Y253 PolarHBondContact O-N 3.35Å; Y250-Q254 HydrophobicContact CD1-CG 4.49Å; Y250-Q254 HydrophobicContact CD2-CG 3.95Å; Y250-Q254 HydrophobicContact CE1-CG 4.02Å; Y250-Q254 HydrophobicContact CE2-CG 3.42Å; Y250-Q254 VanDerWaalsContact CE2-CG 3.42Å; Y250-Q254 HydrophobicContact CG-CG 4.46Å; Y250-Q254 VanDerWaalsContact CZ-CG 3.46Å; Y250-Q254 WeakPolarHBondContact O-CB 3.44Å; Y250-Q254 WeakPolarHBondContact O-CG 3.4Å; Y250-Q254 PolarHBondContact O-N 3.22Å; Y250-I319 HydrophobicContact CD1-CG2 4.4Å; Y250-I319 HydrophobicContact CD2-CB 3.82Å; Y250-I319 HydrophobicContact CD2-CG2 3.41Å; Y250-I319 VanDerWaalsContact CD2-CG2 3.41Å; Y250-I319 HydrophobicContact CE2-CB 4.34Å; Y250-I319 HydrophobicContact CE2-CG2 3.65Å; Y250-I319 HydrophobicContact CG-CB 4.39Å; Y250-I319 HydrophobicContact CG-CD1 4.48Å; Y250-I319 HydrophobicContact CG-CG2 3.82Å; Y250-S320 WeakPolarHBondContact CE2-OG 3.36Å; Y250-L323 HydrophobicContact CE1-CD1 4.26Å; Y250-L323 HydrophobicContact CE2-CD1 3.85Å; Y250-L323 VanDerWaalsContact OH-CD1 3.22Å; Y250-L323 WeakPolarHBondContact OH-CD1 3.19Å
251E92.7Very high94.4Very high29 Ų2937.6 Ų37.614%0.13619%0.192CC..Hα-helixtrans-59.1-40.3176.9-73.2165.4141.900110.9T247 S248 Q254 F255 K341T247-E251 WeakPolarHBondContact CA-OE2 3.23Å; T247-E251 HydrophobicContact CG2-CB 3.73Å; S248-E251 PolarHBondContact N-OE2 3.14Å; S248-E251 PolarHBondContact O-N 2.73Å; S248-E251 WeakPolarHBondContact OG-CB 3.06Å; S248-E251 VanDerWaalsContact OG-CG 3.24Å; S248-E251 WeakPolarHBondContact OG-CG 3.18Å; S248-E251 PolarHBondContact OG-N 2.92Å; S248-E251 VanDerWaalsContact OG-N 3.12Å; S248-E251 PolarHBondContact OG-OE2 3.41Å; S248-E251 VanDerWaalsContact OG-OE2 3.07Å; E251-Q254 PolarHBondContact O-N 3.14Å; E251-F255 PolarHBondContact O-N 3.25Å; E251-K341 WeakPolarHBondContact OE1-CD 3.45Å; E251-K341 WeakPolarHBondContact OE1-CE 3.43Å; E251-K341 IonicContact OE1-NZ 3.4Å; E251-K341 PolarHBondContact OE1-NZ 3.33Å; E251-K341 IonicContact OE2-NZ 2.7Å; E251-K341 PolarHBondContact OE2-NZ 3.25Å
252F95.4Very high94.4Very high0 Ų041.2 Ų41.20%021%0.211CC..Hα-helixtrans-61.9-49.7176.6-170.1-89.5000111.5I48 V240 L242 T247 S248 Y250 F255 W256 V303 T304 I307 H308I48-F252 HydrophobicContact CG2-CD2 4.41Å; I48-F252 HydrophobicContact CG2-CE2 3.51Å; I48-F252 HydrophobicContact CG2-CZ 4.06Å; V240-F252 HydrophobicContact CG1-CD2 3.72Å; V240-F252 HydrophobicContact CG1-CE2 4.16Å; L242-F252 HydrophobicContact CD2-CE2 3.87Å; L242-F252 HydrophobicContact CD2-CZ 4.34Å; T247-F252 HydrophobicContact CG2-CB 4.15Å; S248-F252 WeakPolarHBondContact O-CB 3.42Å; S248-F252 PolarHBondContact O-N 3.3Å; Y250-F252 VanDerWaalsContact C-N 3.25Å; Y250-F252 PolarHBondContact O-N 3.39Å; F252-F255 WeakPolarHBondContact O-CB 3.39Å; F252-F255 PolarHBondContact O-N 3.08Å; F252-W256 AromaticContact CD1-CD1 3.77Å; F252-W256 AromaticContact CD1-NE1 3.51Å; F252-W256 AromaticContact CE1-CD1 3.67Å; F252-W256 AromaticContact CE1-NE1 3.03Å; F252-W256 HydrophobicContact CZ-CZ2 4.3Å; F252-W256 AromaticContact CZ-NE1 3.3Å; F252-W256 VanDerWaalsContact CZ-NE1 3.3Å; F252-W256 PolarHBondContact O-N 2.69Å; F252-V303 HydrophobicContact CE1-CB 4.44Å; F252-V303 HydrophobicContact CE1-CG1 3.84Å; F252-V303 HydrophobicContact CZ-CG1 3.89Å; F252-T304 HydrophobicContact CD1-CG2 4.46Å; F252-I307 HydrophobicContact CE1-CB 4.36Å; F252-I307 HydrophobicContact CE1-CG1 4.4Å; F252-I307 HydrophobicContact CZ-CB 4.21Å; F252-I307 HydrophobicContact CZ-CG1 3.99Å; F252-I307 HydrophobicContact CZ-CG2 4.31Å; F252-H308 AromaticContact CD1-CD2 3.84Å; F252-H308 AromaticContact CD1-NE2 3.91Å; F252-H308 AromaticContact CD2-NE2 3.73Å; F252-H308 AromaticContact CG-CD2 3.96Å; F252-H308 AromaticContact CG-NE2 3.57Å
253Y96.5Very high94.4Very high14 Ų1440.9 Ų40.96%0.05521%0.209CC..Hα-helixtrans-60-46.3175.3179.5-94.1000111.7P249 Y250 F255 W256 I257 A300 E301 L313 A316 I317P249-Y253 VanDerWaalsContact O-CB 3.23Å; P249-Y253 WeakPolarHBondContact O-CB 3.49Å; P249-Y253 PolarHBondContact O-N 2.7Å; Y250-Y253 PolarHBondContact O-N 3.35Å; Y253-F255 VanDerWaalsContact C-N 3.29Å; Y253-F255 PolarHBondContact O-N 3.19Å; Y253-W256 PolarHBondContact O-N 3.2Å; Y253-W256 VanDerWaalsContact O-N 3.11Å; Y253-I257 HydrophobicContact CD1-CG1 3.75Å; Y253-I257 HydrophobicContact CE1-CD1 3.84Å; Y253-I257 HydrophobicContact CE1-CG1 3.34Å; Y253-I257 HydrophobicContact CE2-CG1 4.45Å; Y253-I257 HydrophobicContact CG-CG1 4.46Å; Y253-I257 WeakPolarHBondContact O-CG1 3.45Å; Y253-I257 PolarHBondContact O-N 2.86Å; Y253-A300 HydrophobicContact CD2-CB 3.59Å; Y253-A300 HydrophobicContact CE2-CB 3.49Å; Y253-A300 VanDerWaalsContact CE2-CB 3.49Å; Y253-A300 HydrophobicContact CG-CB 4.17Å; Y253-E301 HydrophobicContact CE2-CG 3.95Å; Y253-L313 HydrophobicContact CD2-CD1 3.84Å; Y253-L313 HydrophobicContact CE2-CD1 3.81Å; Y253-A316 HydrophobicContact CD2-CB 4.49Å; Y253-A316 HydrophobicContact CG-CB 4.04Å; Y253-I317 HydrophobicContact CE2-CG1 4.05Å
254Q93.7Very high94.5Very high44 Ų4438.5 Ų38.521%0.20620%0.197CC..Hα-helixtrans-62.6-34.8178.5-75.9-61.1-45.300112.5Y250 E251 W256 I257 N258 S320Y250-Q254 HydrophobicContact CD1-CG 4.49Å; Y250-Q254 HydrophobicContact CD2-CG 3.95Å; Y250-Q254 HydrophobicContact CE1-CG 4.02Å; Y250-Q254 HydrophobicContact CE2-CG 3.42Å; Y250-Q254 VanDerWaalsContact CE2-CG 3.42Å; Y250-Q254 HydrophobicContact CG-CG 4.46Å; Y250-Q254 VanDerWaalsContact CZ-CG 3.46Å; Y250-Q254 WeakPolarHBondContact O-CB 3.44Å; Y250-Q254 WeakPolarHBondContact O-CG 3.4Å; Y250-Q254 PolarHBondContact O-N 3.22Å; E251-Q254 PolarHBondContact O-N 3.14Å; Q254-W256 VanDerWaalsContact C-N 3.33Å; Q254-W256 PolarHBondContact O-N 3.32Å; Q254-I257 PolarHBondContact O-N 2.83Å; Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.29Å; Q254-N258 PolarHBondContact O-N 2.98Å; Q254-N258 PolarHBondContact O-ND2 2.95Å; Q254-S320 PolarHBondContact NE2-OG 3.4Å
255F94.4Very high94.6Very high20 Ų2037.2 Ų37.29%0.08818%0.184CC..Hα-helixtrans-56.5-49.4172.6170.2-92.4000110.7I48 F232 V240 E251 F252 Y253 N258 Q259I48-F255 HydrophobicContact CD1-CD1 3.78Å; I48-F255 HydrophobicContact CD1-CE1 3.07Å; I48-F255 HydrophobicContact CD1-CE2 4.01Å; I48-F255 HydrophobicContact CD1-CZ 3.2Å; F232-F255 HydrophobicContact CE2-CE1 4.26Å; F232-F255 HydrophobicContact CE2-CZ 4.04Å; F232-F255 HydrophobicContact CZ-CE1 4.34Å; F232-F255 HydrophobicContact CZ-CZ 4.39Å; V240-F255 HydrophobicContact CG1-CB 4.34Å; V240-F255 HydrophobicContact CG1-CD1 4.47Å; V240-F255 HydrophobicContact CG1-CG 4.28Å; V240-F255 HydrophobicContact CG2-CB 4.32Å; V240-F255 HydrophobicContact CG2-CD2 3.58Å; V240-F255 HydrophobicContact CG2-CE2 3.99Å; V240-F255 HydrophobicContact CG2-CG 3.88Å; E251-F255 PolarHBondContact O-N 3.25Å; F252-F255 WeakPolarHBondContact O-CB 3.39Å; F252-F255 PolarHBondContact O-N 3.08Å; Y253-F255 VanDerWaalsContact C-N 3.29Å; Y253-F255 PolarHBondContact O-N 3.19Å; F255-N258 PolarHBondContact O-N 3.47Å; F255-Q259 PolarHBondContact O-NE2 3.28Å
256W96.8Very high94.9Very high0 Ų032.2 Ų32.20%016%0.16CC..Hα-helixtrans-69.8-39.2-179.1-63113.9000113.2I48 F232 F252 Y253 Q254 N258 Q259 F271 L299 A300 V303I48-W256 HydrophobicContact CB-CZ2 4.26Å; I48-W256 HydrophobicContact CD1-CH2 4.38Å; I48-W256 HydrophobicContact CD1-CZ2 4.3Å; I48-W256 HydrophobicContact CG2-CZ2 3.88Å; F232-W256 HydrophobicContact CE2-CH2 4.49Å; F232-W256 HydrophobicContact CE2-CZ3 4.25Å; F232-W256 AromaticContact CZ-CH2 3.7Å; F232-W256 HydrophobicContact CZ-CH2 3.7Å; F232-W256 AromaticContact CZ-CZ3 3.89Å; F232-W256 HydrophobicContact CZ-CZ3 3.89Å; F252-W256 AromaticContact CD1-CD1 3.77Å; F252-W256 AromaticContact CD1-NE1 3.51Å; F252-W256 AromaticContact CE1-CD1 3.67Å; F252-W256 AromaticContact CE1-NE1 3.03Å; F252-W256 HydrophobicContact CZ-CZ2 4.3Å; F252-W256 AromaticContact CZ-NE1 3.3Å; F252-W256 VanDerWaalsContact CZ-NE1 3.3Å; F252-W256 PolarHBondContact O-N 2.69Å; Y253-W256 PolarHBondContact O-N 3.2Å; Y253-W256 VanDerWaalsContact O-N 3.11Å; Q254-W256 VanDerWaalsContact C-N 3.33Å; Q254-W256 PolarHBondContact O-N 3.32Å; W256-N258 PolarHBondContact O-N 2.92Å; W256-Q259 HydrophobicContact CE3-CG 4.31Å; W256-Q259 WeakPolarHBondContact O-CG 3.34Å; W256-Q259 PolarHBondContact O-N 2.97Å; W256-F271 HydrophobicContact CH2-CB 4.33Å; W256-F271 HydrophobicContact CH2-CD1 4.08Å; W256-F271 AromaticContact CH2-CD2 3.8Å; W256-F271 HydrophobicContact CH2-CD2 3.8Å; W256-F271 HydrophobicContact CH2-CE1 4.34Å; W256-F271 HydrophobicContact CH2-CE2 4.08Å; W256-F271 AromaticContact CH2-CG 3.81Å; W256-F271 HydrophobicContact CH2-CG 3.81Å; W256-F271 HydrophobicContact CH2-CZ 4.34Å; W256-F271 AromaticContact CZ3-CD2 3.85Å; W256-F271 HydrophobicContact CZ3-CD2 3.85Å; W256-F271 HydrophobicContact CZ3-CE2 4.21Å; W256-F271 HydrophobicContact CZ3-CG 4.23Å; W256-L299 HydrophobicContact CB-CG 4.37Å; W256-L299 HydrophobicContact CD2-CG 4.44Å; W256-L299 HydrophobicContact CE3-CD1 4.22Å; W256-L299 HydrophobicContact CE3-CD2 3.79Å; W256-L299 HydrophobicContact CE3-CG 3.9Å; W256-L299 HydrophobicContact CZ3-CD1 4.49Å; W256-L299 HydrophobicContact CZ3-CD2 4.4Å; W256-A300 VanDerWaalsContact CB-CA 3.44Å; W256-A300 HydrophobicContact CB-CB 3.57Å; W256-V303 HydrophobicContact CD2-CB 4.45Å; W256-V303 HydrophobicContact CH2-CG1 4.44Å; W256-V303 HydrophobicContact CZ2-CB 4.39Å; W256-V303 HydrophobicContact CZ2-CG1 3.64Å
257I95.2Very high95.2Very high20 Ų2029.3 Ų29.310%0.10315%0.147CC..Hα-helixtrans-56.8-35.6173.1-74-64.8000111.3Y253 Q254 Q259 R293 K297 A300Y253-I257 HydrophobicContact CD1-CG1 3.75Å; Y253-I257 HydrophobicContact CE1-CD1 3.84Å; Y253-I257 HydrophobicContact CE1-CG1 3.34Å; Y253-I257 HydrophobicContact CE2-CG1 4.45Å; Y253-I257 HydrophobicContact CG-CG1 4.46Å; Y253-I257 WeakPolarHBondContact O-CG1 3.45Å; Y253-I257 PolarHBondContact O-N 2.86Å; Q254-I257 PolarHBondContact O-N 2.83Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 3.31Å; I257-R293 PolarHBondContact O-NH2 2.92Å; I257-K297 HydrophobicContact CD1-CB 4.29Å; I257-K297 HydrophobicContact CD1-CG 3.84Å; I257-A300 HydrophobicContact CD1-CB 3.66Å; I257-A300 HydrophobicContact CG1-CB 3.62Å
258N93.6Very high95.5Very high98 Ų9828.8 Ų28.852%0.52414%0.144SC..THydrogen-bonded Turntrans-87.29.2-175.6-70.5-46.7000114.7Q254 F255 W256Q254-N258 WeakPolarHBondContact O-CB 3.43Å; Q254-N258 VanDerWaalsContact O-CG 3.29Å; Q254-N258 PolarHBondContact O-N 2.98Å; Q254-N258 PolarHBondContact O-ND2 2.95Å; F255-N258 PolarHBondContact O-N 3.47Å; W256-N258 PolarHBondContact O-N 2.92Å
259Q94.9Very high95.7Very high6 Ų630.4 Ų30.43%0.02815%0.151CC..  trans-67.4150171.8-58-51.9-52.600111.8F255 W256 I257 F267 R293 Q296 L299F255-Q259 PolarHBondContact O-NE2 3.28Å; W256-Q259 HydrophobicContact CE3-CG 4.31Å; W256-Q259 WeakPolarHBondContact O-CG 3.34Å; W256-Q259 PolarHBondContact O-N 2.97Å; I257-Q259 VanDerWaalsContact C-N 3.32Å; I257-Q259 PolarHBondContact O-N 3.31Å; Q259-F267 HydrophobicContact CB-CD2 4.24Å; Q259-F267 HydrophobicContact CG-CD2 3.91Å; Q259-F267 HydrophobicContact CG-CE2 4.2Å; Q259-R293 PolarHBondContact O-NH2 3.08Å; Q259-Q296 WeakPolarHBondContact O-CG 3.45Å; Q259-Q296 PolarHBondContact O-NE2 3.41Å; Q259-L299 HydrophobicContact CG-CD2 4.18Å
260S94.4Very high95.9Very high37 Ų3730.4 Ų30.426%0.25915%0.147SC..  trans-76.8159.6-177.387.40000112E262 D263 V264S260-E262 WeakPolarHBondContact CB-OE2 3.42Å; S260-E262 PolarHBondContact O-N 3.06Å; S260-E262 PolarHBondContact OG-N 3.26Å; S260-E262 PolarHBondContact OG-OE2 3.5Å; S260-D263 PolarHBondContact O-N 3.4Å; S260-D263 PolarHBondContact OG-N 2.99Å; S260-V264 WeakPolarHBondContact O-CB 3.5Å; S260-V264 PolarHBondContact O-N 2.83Å
261D95.3Very high96.1Very high59 Ų5928.7 Ų28.732%0.31614%0.141SC..THydrogen-bonded Turntrans-64.1-28177.2-68.4-24.8000111.7K286 Q296D261-K286 HydrophobicContact CB-CD 4.26Å; D261-K286 HydrophobicContact CB-CG 4.43Å; D261-K286 WeakPolarHBondContact O-CD 3.47Å; D261-Q296 PolarHBondContact OD1-NE2 3.4Å
262E95.2Very high96.3Very high137 Ų13727.5 Ų27.564%0.6414%0.135SC*.THydrogen-bonded Turntrans-70.7-32.1177.9-58.579.7-173.100112.7S260S260-E262 WeakPolarHBondContact CB-OE2 3.42Å; S260-E262 PolarHBondContact O-N 3.06Å; S260-E262 PolarHBondContact OG-N 3.26Å; S260-E262 PolarHBondContact OG-OE2 3.5Å
263D96.1Very high96.5Very high4 Ų430.5 Ų30.52%0.02115%0.149CC..THydrogen-bonded Turntrans-101.8-23.5-173.5-73.2-50000113.7S227 S260 I265 K266 F267S227-D263 PolarHBondContact N-OD1 2.96Å; S227-D263 VanDerWaalsContact N-OD1 3.11Å; S227-D263 PolarHBondContact N-OD2 3.42Å; S227-D263 PolarHBondContact OG-OD2 3.17Å; S260-D263 PolarHBondContact O-N 3.4Å; S260-D263 PolarHBondContact OG-N 2.99Å; D263-I265 PolarHBondContact O-N 3.02Å; D263-K266 WeakPolarHBondContact O-CB 3.44Å; D263-K266 PolarHBondContact O-N 2.87Å; D263-K266 VanDerWaalsContact O-N 3.14Å; D263-K266 WeakPolarHBondContact OD1-CE 3.36Å; D263-K266 IonicContact OD1-NZ 3.24Å; D263-K266 PolarHBondContact OD1-NZ 3.03Å; D263-F267 HydrophobicContact CB-CD2 3.92Å; D263-F267 HydrophobicContact CB-CE1 4.46Å; D263-F267 HydrophobicContact CB-CE2 3.48Å; D263-F267 VanDerWaalsContact CB-CE2 3.48Å; D263-F267 HydrophobicContact CB-CZ 3.78Å; D263-F267 WeakPolarHBondContact O-CG 3.38Å; D263-F267 PolarHBondContact O-N 3.03Å
264V97.6Very high96.5Very high0 Ų031 Ų310%015%0.152CC..Hα-helixtrans-58.2-41-168.667.30000113.9S260 F267 L268 K286 A295 Q296 L299S260-V264 WeakPolarHBondContact O-CB 3.5Å; S260-V264 PolarHBondContact O-N 2.83Å; V264-F267 PolarHBondContact O-N 2.91Å; V264-L268 HydrophobicContact CG2-CD1 4.36Å; V264-L268 WeakPolarHBondContact O-CG 3.35Å; V264-L268 PolarHBondContact O-N 2.81Å; V264-K286 HydrophobicContact CG1-CD 4.04Å; V264-K286 HydrophobicContact CG1-CG 4.38Å; V264-A295 HydrophobicContact CB-CB 4.46Å; V264-A295 HydrophobicContact CG1-CB 3.87Å; V264-A295 HydrophobicContact CG2-CB 3.7Å; V264-Q296 HydrophobicContact CB-CG 4.32Å; V264-Q296 HydrophobicContact CG2-CB 4.43Å; V264-Q296 HydrophobicContact CG2-CG 3.85Å; V264-L299 HydrophobicContact CG2-CB 4.44Å; V264-L299 HydrophobicContact CG2-CD2 4.1Å
265I98.1Very high96.7Very high11 Ų1130.7 Ų30.76%0.05616%0.161CC..Hα-helixtrans-68.8-39.8-180-56.8-52.8000111.4D263 F267 L268 K269 I279 E283 K286 A295D263-I265 PolarHBondContact O-N 3.02Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 3.45Å; I265-L268 HydrophobicContact CD1-CD1 3.99Å; I265-L268 PolarHBondContact O-N 3.26Å; I265-K269 WeakPolarHBondContact O-CG 3.36Å; I265-K269 PolarHBondContact O-N 3.42Å; I265-I279 HydrophobicContact CG2-CG2 4.04Å; I265-E283 HydrophobicContact CD1-CB 3.86Å; I265-E283 HydrophobicContact CG1-CB 4.03Å; I265-E283 HydrophobicContact CG1-CG 4.18Å; I265-E283 HydrophobicContact CG2-CB 4.31Å; I265-K286 HydrophobicContact CD1-CD 4.49Å; I265-K286 HydrophobicContact CG1-CD 4.19Å; I265-A295 HydrophobicContact CD1-CB 4.2Å
266K97.1Very high96.9Very high58 Ų5834.7 Ų34.725%0.25218%0.178SC..Hα-helixtrans-61.9-43173.1175.5-176.761.5-174.40110.3T225 D263 K269 Y270T225-K266 PolarHBondContact O-NZ 2.91Å; D263-K266 WeakPolarHBondContact O-CB 3.44Å; D263-K266 PolarHBondContact O-N 2.87Å; D263-K266 VanDerWaalsContact O-N 3.14Å; D263-K266 WeakPolarHBondContact OD1-CE 3.36Å; D263-K266 IonicContact OD1-NZ 3.24Å; D263-K266 PolarHBondContact OD1-NZ 3.03Å; K266-K269 WeakPolarHBondContact O-CB 3.5Å; K266-K269 PolarHBondContact O-N 2.72Å; K266-Y270 HydrophobicContact CD-CE2 4.2Å; K266-Y270 HydrophobicContact CG-CD2 4.23Å; K266-Y270 HydrophobicContact CG-CE1 4.28Å; K266-Y270 HydrophobicContact CG-CE2 3.91Å; K266-Y270 WeakPolarHBondContact O-CB 3.41Å; K266-Y270 WeakPolarHBondContact O-CD1 3.32Å; K266-Y270 PolarHBondContact O-N 3.31Å
267F97.8Very high96.9Very high0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-70.5-33.7178.6-65.2-18.7000113.3V224 K226 F232 Q259 D263 V264 I265 Y270 F271 L299V224-F267 HydrophobicContact CG1-CD1 4.34Å; V224-F267 HydrophobicContact CG1-CE1 3.61Å; V224-F267 HydrophobicContact CG1-CZ 4.33Å; K226-F267 HydrophobicContact CG-CZ 4.29Å; F232-F267 HydrophobicContact CD2-CE1 4.06Å; F232-F267 HydrophobicContact CD2-CE2 4.13Å; F232-F267 AromaticContact CD2-CZ 3.61Å; F232-F267 HydrophobicContact CD2-CZ 3.61Å; F232-F267 HydrophobicContact CE2-CD1 4.43Å; F232-F267 HydrophobicContact CE2-CD2 4.31Å; F232-F267 AromaticContact CE2-CE1 3.98Å; F232-F267 HydrophobicContact CE2-CE1 3.98Å; F232-F267 AromaticContact CE2-CE2 3.84Å; F232-F267 HydrophobicContact CE2-CE2 3.84Å; F232-F267 AromaticContact CE2-CZ 3.67Å; F232-F267 HydrophobicContact CE2-CZ 3.67Å; Q259-F267 HydrophobicContact CB-CD2 4.24Å; Q259-F267 HydrophobicContact CG-CD2 3.91Å; Q259-F267 HydrophobicContact CG-CE2 4.2Å; D263-F267 HydrophobicContact CB-CD2 3.92Å; D263-F267 HydrophobicContact CB-CE1 4.46Å; D263-F267 HydrophobicContact CB-CE2 3.48Å; D263-F267 VanDerWaalsContact CB-CE2 3.48Å; D263-F267 HydrophobicContact CB-CZ 3.78Å; D263-F267 WeakPolarHBondContact O-CG 3.38Å; D263-F267 PolarHBondContact O-N 3.03Å; V264-F267 PolarHBondContact O-N 2.91Å; I265-F267 VanDerWaalsContact C-N 3.32Å; I265-F267 PolarHBondContact O-N 3.45Å; F267-Y270 PolarHBondContact O-N 3.25Å; F267-F271 HydrophobicContact CB-CD2 4.04Å; F267-F271 HydrophobicContact CB-CE2 4.47Å; F267-F271 HydrophobicContact CD1-CD2 4.3Å; F267-F271 AromaticContact CD1-CE2 3.9Å; F267-F271 HydrophobicContact CD1-CE2 3.9Å; F267-F271 HydrophobicContact CG-CD2 4.36Å; F267-F271 HydrophobicContact CG-CE2 4.31Å; F267-F271 WeakPolarHBondContact O-CB 3.49Å; F267-F271 WeakPolarHBondContact O-CD2 3.29Å; F267-F271 PolarHBondContact O-N 3.49Å; F267-L299 HydrophobicContact CB-CD1 4.22Å; F267-L299 HydrophobicContact CB-CD2 3.7Å; F267-L299 HydrophobicContact CD2-CD2 4.49Å
268L98.6Very high97.1Very high0 Ų043.9 Ų43.90%022%0.22CC..Hα-helixtrans-58.6-47.7168.8-75.8164.3000110.6V264 I265 Y270 T272 L274 I279 L282 A295 T298 L299V264-L268 HydrophobicContact CG2-CD1 4.36Å; V264-L268 WeakPolarHBondContact O-CG 3.35Å; V264-L268 PolarHBondContact O-N 2.81Å; I265-L268 HydrophobicContact CD1-CD1 3.99Å; I265-L268 PolarHBondContact O-N 3.26Å; L268-Y270 VanDerWaalsContact C-N 3.34Å; L268-Y270 PolarHBondContact O-N 2.79Å; L268-T272 HydrophobicContact CD2-CG2 4Å; L268-T272 WeakPolarHBondContact O-CB 3.46Å; L268-T272 PolarHBondContact O-N 3.37Å; L268-T272 PolarHBondContact O-OG1 3.05Å; L268-L274 HydrophobicContact CD2-CD1 3.93Å; L268-I279 HydrophobicContact CB-CD1 4.33Å; L268-I279 HydrophobicContact CB-CG1 4.28Å; L268-L282 HydrophobicContact CD1-CB 4.2Å; L268-L282 HydrophobicContact CD1-CD1 3.79Å; L268-L282 HydrophobicContact CD2-CD1 4.23Å; L268-A295 HydrophobicContact CD1-CB 4.09Å; L268-T298 HydrophobicContact CD2-CG2 4.41Å; L268-L299 HydrophobicContact CD2-CB 3.77Å; L268-L299 HydrophobicContact CD2-CD1 4.18Å; L268-L299 HydrophobicContact CG-CB 4.19Å; L268-L299 HydrophobicContact CG-CD1 4.39Å
269K98.3Very high97.3Very high40 Ų4039.2 Ų39.217%0.17420%0.195CC..Hα-helixtrans-60-42176.3-71.7176.5-179.1-176.10112.6W11 R12 R59 I265 K266 I279W11-K269 HydrophobicContact CH2-CG 4.09Å; W11-K269 HydrophobicContact CZ2-CD 4.41Å; W11-K269 HydrophobicContact CZ2-CG 4.42Å; W11-K269 HydrophobicContact CZ3-CG 4.4Å; R12-K269 HydrophobicContact CB-CB 4.21Å; R12-K269 WeakPolarHBondContact CD-O 3.26Å; R12-K269 HydrophobicContact CG-CB 4.24Å; R12-K269 PolarHBondContact NH1-O 3.12Å; R12-K269 VanDerWaalsContact NH1-O 3.09Å; R59-K269 PolarHBondContact NH2-O 3.31Å; I265-K269 WeakPolarHBondContact O-CG 3.36Å; I265-K269 PolarHBondContact O-N 3.42Å; K266-K269 WeakPolarHBondContact O-CB 3.5Å; K266-K269 PolarHBondContact O-N 2.72Å; K269-I279 HydrophobicContact CG-CD1 3.98Å; K269-I279 HydrophobicContact CG-CG2 3.99Å
270Y97.9Very high97.5Very high24 Ų2442.1 Ų42.19%0.09421%0.211CC..Hα-helixtrans-74.1-52.1-176.2-78.48.7000113R12 G13 L14 L52 R59 P222 V224 K266 F267 L268R12-Y270 WeakPolarHBondContact O-CD1 3.45Å; R12-Y270 WeakPolarHBondContact O-CE1 3.38Å; G13-Y270 WeakPolarHBondContact O-CE1 3.35Å; G13-Y270 PolarHBondContact O-OH 3.09Å; L14-Y270 HydrophobicContact CD2-CD1 3.6Å; L14-Y270 HydrophobicContact CD2-CE1 3.89Å; L14-Y270 HydrophobicContact CD2-CG 4.12Å; L14-Y270 HydrophobicContact CG-CD1 4.26Å; L14-Y270 HydrophobicContact CG-CE1 4.46Å; L52-Y270 HydrophobicContact CD1-CD2 4.47Å; L52-Y270 HydrophobicContact CD1-CG 4.11Å; L52-Y270 VanDerWaalsContact CD1-O 3.26Å; L52-Y270 WeakPolarHBondContact CD1-O 3.39Å; L52-Y270 HydrophobicContact CD2-CD2 3.84Å; L52-Y270 HydrophobicContact CD2-CE2 4.23Å; L52-Y270 HydrophobicContact CD2-CG 4.18Å; R59-Y270 PolarHBondContact NH2-O 2.86Å; P222-Y270 HydrophobicContact CG-CE2 4.44Å; P222-Y270 VanDerWaalsContact CG-OH 3.27Å; P222-Y270 WeakPolarHBondContact CG-OH 3.34Å; V224-Y270 HydrophobicContact CG1-CD2 4.46Å; V224-Y270 HydrophobicContact CG2-CD2 4.42Å; K266-Y270 HydrophobicContact CD-CE2 4.2Å; K266-Y270 HydrophobicContact CG-CD2 4.23Å; K266-Y270 HydrophobicContact CG-CE1 4.28Å; K266-Y270 HydrophobicContact CG-CE2 3.91Å; K266-Y270 WeakPolarHBondContact O-CB 3.41Å; K266-Y270 WeakPolarHBondContact O-CD1 3.32Å; K266-Y270 PolarHBondContact O-N 3.31Å; F267-Y270 PolarHBondContact O-N 3.25Å; L268-Y270 VanDerWaalsContact C-N 3.34Å; L268-Y270 PolarHBondContact O-N 2.79Å
271F98.1Very high97.6Very high2 Ų244.9 Ų44.91%0.00922%0.216CC..Hα-helixtrans-103.3-6.5-164-63.5-75.4000115.1L51 L52 L55 V224 F232 W256 F267 V303L51-F271 HydrophobicContact CB-CE1 4.34Å; L51-F271 HydrophobicContact CD2-CD1 4.11Å; L51-F271 HydrophobicContact CG-CD1 4.37Å; L52-F271 HydrophobicContact CB-CE1 4.13Å; L52-F271 HydrophobicContact CD1-CD1 4.33Å; L52-F271 HydrophobicContact CD1-CE1 4.18Å; L55-F271 HydrophobicContact CD1-CB 4.23Å; L55-F271 HydrophobicContact CD1-CD1 3.9Å; L55-F271 WeakPolarHBondContact CD1-O 3.33Å; V224-F271 HydrophobicContact CG1-CE2 4.17Å; V224-F271 HydrophobicContact CG1-CZ 4.13Å; V224-F271 HydrophobicContact CG2-CZ 4.05Å; F232-F271 HydrophobicContact CD1-CZ 4.33Å; F232-F271 HydrophobicContact CE1-CE1 4.13Å; F232-F271 AromaticContact CE1-CE2 3.94Å; F232-F271 HydrophobicContact CE1-CE2 3.94Å; F232-F271 AromaticContact CE1-CZ 3.35Å; F232-F271 HydrophobicContact CE1-CZ 3.35Å; F232-F271 HydrophobicContact CE2-CE2 4.08Å; F232-F271 HydrophobicContact CE2-CZ 4.33Å; F232-F271 HydrophobicContact CZ-CD2 4.4Å; F232-F271 HydrophobicContact CZ-CE1 4.26Å; F232-F271 AromaticContact CZ-CE2 3.44Å; F232-F271 HydrophobicContact CZ-CE2 3.44Å; F232-F271 VanDerWaalsContact CZ-CE2 3.44Å; F232-F271 AromaticContact CZ-CZ 3.35Å; F232-F271 HydrophobicContact CZ-CZ 3.35Å; W256-F271 HydrophobicContact CH2-CB 4.33Å; W256-F271 HydrophobicContact CH2-CD1 4.08Å; W256-F271 AromaticContact CH2-CD2 3.8Å; W256-F271 HydrophobicContact CH2-CD2 3.8Å; W256-F271 HydrophobicContact CH2-CE1 4.34Å; W256-F271 HydrophobicContact CH2-CE2 4.08Å; W256-F271 AromaticContact CH2-CG 3.81Å; W256-F271 HydrophobicContact CH2-CG 3.81Å; W256-F271 HydrophobicContact CH2-CZ 4.34Å; W256-F271 AromaticContact CZ3-CD2 3.85Å; W256-F271 HydrophobicContact CZ3-CD2 3.85Å; W256-F271 HydrophobicContact CZ3-CE2 4.21Å; W256-F271 HydrophobicContact CZ3-CG 4.23Å; F267-F271 HydrophobicContact CB-CD2 4.04Å; F267-F271 HydrophobicContact CB-CE2 4.47Å; F267-F271 HydrophobicContact CD1-CD2 4.3Å; F267-F271 AromaticContact CD1-CE2 3.9Å; F267-F271 HydrophobicContact CD1-CE2 3.9Å; F267-F271 HydrophobicContact CG-CD2 4.36Å; F267-F271 HydrophobicContact CG-CE2 4.31Å; F267-F271 WeakPolarHBondContact O-CB 3.49Å; F267-F271 WeakPolarHBondContact O-CD2 3.29Å; F267-F271 PolarHBondContact O-N 3.49Å; F271-V303 HydrophobicContact CB-CG2 3.85Å
272T98.3Very high97.8Very high3 Ų342.1 Ų42.12%0.01820%0.201CC..  trans-116163.317978.30000112.4R12 R59 L268 L274 L299 E302 V303R12-T272 PolarHBondContact NH1-O 2.92Å; R59-T272 PolarHBondContact NH1-O 3.43Å; R59-T272 VanDerWaalsContact NH1-O 3.12Å; R59-T272 PolarHBondContact NH2-O 3.12Å; L268-T272 HydrophobicContact CD2-CG2 4Å; L268-T272 WeakPolarHBondContact O-CB 3.46Å; L268-T272 PolarHBondContact O-N 3.37Å; L268-T272 PolarHBondContact O-OG1 3.05Å; T272-L274 WeakPolarHBondContact OG1-CG 3.43Å; T272-L274 PolarHBondContact OG1-N 3.15Å; T272-L299 HydrophobicContact CG2-CD1 3.94Å; T272-E302 HydrophobicContact CG2-CB 3.71Å; T272-E302 HydrophobicContact CG2-CG 4.29Å; T272-V303 HydrophobicContact CG2-CG2 4.1Å
273F97.8Very high97.9Very high64 Ų6438.9 Ų38.928%0.28119%0.186SC..  trans-99.216.1173.3-64.3-86.4000112.9L55 R58 R59 F306L55-F273 HydrophobicContact CD2-CE2 3.93Å; L55-F273 HydrophobicContact CD2-CZ 3.97Å; R58-F273 HydrophobicContact CB-CE1 4.33Å; R58-F273 HydrophobicContact CB-CZ 3.88Å; R58-F273 HydrophobicContact CG-CE1 3.89Å; R58-F273 HydrophobicContact CG-CE2 4.33Å; R58-F273 HydrophobicContact CG-CZ 3.46Å; R58-F273 VanDerWaalsContact CG-CZ 3.46Å; R59-F273 HydrophobicContact CG-CD1 4.16Å; R59-F273 HydrophobicContact CG-CE1 3.63Å; F273-F306 HydrophobicContact CD2-CD2 4.41Å; F273-F306 HydrophobicContact CD2-CE2 4.26Å; F273-F306 HydrophobicContact CE2-CD2 4.15Å; F273-F306 HydrophobicContact CE2-CE1 4.3Å; F273-F306 AromaticContact CE2-CE2 3.68Å; F273-F306 HydrophobicContact CE2-CE2 3.68Å; F273-F306 AromaticContact CE2-CZ 3.78Å; F273-F306 HydrophobicContact CE2-CZ 3.78Å; F273-F306 HydrophobicContact CZ-CZ 4.37Å
274L98.3Very high98Very high25 Ų2543.8 Ų43.813%0.13121%0.209CC..  trans-60144.1176.7-61.8176.1000111.5R12 L268 T272 E278 I279 L282 T298 E302R12-L274 PolarHBondContact NH1-O 2.81Å; R12-L274 PolarHBondContact NH2-O 3.36Å; L268-L274 HydrophobicContact CD2-CD1 3.93Å; T272-L274 WeakPolarHBondContact OG1-CG 3.43Å; T272-L274 PolarHBondContact OG1-N 3.15Å; L274-E278 HydrophobicContact CB-CG 4.48Å; L274-E278 HydrophobicContact CD1-CG 4.25Å; L274-E278 HydrophobicContact CD2-CG 4.21Å; L274-I279 HydrophobicContact CB-CD1 4.09Å; L274-I279 HydrophobicContact CB-CG1 3.98Å; L274-L282 HydrophobicContact CD1-CD1 4.03Å; L274-T298 HydrophobicContact CD1-CG2 3.81Å; L274-E302 HydrophobicContact CD1-CG 4.24Å; L274-E302 HydrophobicContact CD2-CG 4.16Å; L274-E302 HydrophobicContact CG-CG 4.25Å
275G97.6Very high98Very high37 Ų3744.6 Ų44.638%0.38122%0.215SC..  trans-69.5166.6174.800000112.6E277 E278 I279G275-E277 PolarHBondContact O-N 2.94Å; G275-E278 PolarHBondContact O-N 2.98Å; G275-I279 PolarHBondContact O-N 2.85Å; G275-I279 VanDerWaalsContact O-N 3.16Å
276K97.4Very high97.9Very high103 Ų10345.9 Ų45.945%0.44822%0.22SC..Hα-helixtrans-61.6-44.4-178.9176.1171178.8-172.50112.2W11 E278 I279 D280W11-K276 HydrophobicContact CD2-CD 4.37Å; W11-K276 HydrophobicContact CD2-CG 4.43Å; W11-K276 HydrophobicContact CH2-CB 3.95Å; W11-K276 HydrophobicContact CH2-CG 4.22Å; W11-K276 HydrophobicContact CZ2-CB 3.85Å; W11-K276 HydrophobicContact CZ2-CD 4.34Å; W11-K276 HydrophobicContact CZ2-CG 3.59Å; W11-K276 HydrophobicContact CZ3-CB 4.35Å; K276-E278 VanDerWaalsContact C-N 3.29Å; K276-E278 PolarHBondContact O-N 2.91Å; K276-I279 PolarHBondContact O-N 2.86Å; K276-D280 WeakPolarHBondContact O-CB 3.48Å; K276-D280 PolarHBondContact O-N 3.16Å
277E97.7Very high97.9Very high150 Ų15048.3 Ų48.370%0.70124%0.235SC*.Hα-helixtrans-60.4-39.8-178.5-63.472.4-159.500111.7G275 R281G275-E277 PolarHBondContact O-N 2.94Å; E277-R281 WeakPolarHBondContact O-CB 3.31Å; E277-R281 PolarHBondContact O-N 3.39Å
278E98.4Very high97.9Very high63 Ų6355 Ų5529%0.29427%0.267SS..Hα-helixtrans-72.2-40.8179.3-178.957.3-166.300111.8L274 G275 K276 D280 R281 L282L274-E278 HydrophobicContact CB-CG 4.48Å; L274-E278 HydrophobicContact CD1-CG 4.25Å; L274-E278 HydrophobicContact CD2-CG 4.21Å; G275-E278 PolarHBondContact O-N 2.98Å; K276-E278 VanDerWaalsContact C-N 3.29Å; K276-E278 PolarHBondContact O-N 2.91Å; E278-D280 VanDerWaalsContact C-N 3.35Å; E278-R281 WeakPolarHBondContact O-CB 3.44Å; E278-R281 PolarHBondContact O-N 3.38Å; E278-R281 IonicContact OE1-CZ 2.72Å; E278-R281 IonicContact OE1-NE 2.65Å; E278-R281 PolarHBondContact OE1-NE 3.16Å; E278-R281 IonicContact OE1-NH2 2.66Å; E278-R281 PolarHBondContact OE1-NH2 3.48Å; E278-R281 IonicContact OE2-CZ 3.02Å; E278-R281 IonicContact OE2-NE 3.91Å; E278-R281 PolarHBondContact OE2-NE 3.04Å; E278-R281 IonicContact OE2-NH2 3.58Å; E278-L282 HydrophobicContact CG-CD1 4.27Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.1Å; E278-L282 PolarHBondContact O-N 3.17Å
279I98.5Very high97.7Very high0 Ų056 Ų560%028%0.275CS..Hα-helixtrans-65.2-40175.6-72.3174.3000111.1W11 I265 L268 K269 L274 G275 K276 R281 L282 E283W11-I279 HydrophobicContact CH2-CB 3.91Å; W11-I279 HydrophobicContact CH2-CD1 3.63Å; W11-I279 HydrophobicContact CH2-CG1 4.28Å; W11-I279 HydrophobicContact CH2-CG2 4.04Å; W11-I279 HydrophobicContact CZ2-CB 4.26Å; W11-I279 HydrophobicContact CZ2-CG2 4.1Å; W11-I279 HydrophobicContact CZ3-CD1 4.21Å; I265-I279 HydrophobicContact CG2-CG2 4.04Å; L268-I279 HydrophobicContact CB-CD1 4.33Å; L268-I279 HydrophobicContact CB-CG1 4.28Å; K269-I279 HydrophobicContact CG-CD1 3.98Å; K269-I279 HydrophobicContact CG-CG2 3.99Å; L274-I279 HydrophobicContact CB-CD1 4.09Å; L274-I279 HydrophobicContact CB-CG1 3.98Å; G275-I279 PolarHBondContact O-N 2.85Å; G275-I279 VanDerWaalsContact O-N 3.16Å; K276-I279 PolarHBondContact O-N 2.86Å; I279-R281 VanDerWaalsContact C-N 3.35Å; I279-L282 PolarHBondContact O-N 3.48Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 PolarHBondContact O-N 3.27Å
280D98.1Very high97.5Very high67 Ų6756.7 Ų56.736%0.35828%0.283SS..Hα-helixtrans-64.5-39.3176.5-69-9.9000110.9K276 E278 E283 Q284K276-D280 WeakPolarHBondContact O-CB 3.48Å; K276-D280 PolarHBondContact O-N 3.16Å; E278-D280 VanDerWaalsContact C-N 3.35Å; D280-E283 PolarHBondContact O-N 2.96Å; D280-Q284 PolarHBondContact O-N 3.35Å
281R98.3Very high97.3Very high96 Ų9662.7 Ų62.736%0.36231%0.312SS..Hα-helixtrans-62-45173.1-173-164.973.479-1.4112.2E277 E278 I279 E283 Q284 S285 E294E277-R281 WeakPolarHBondContact O-CB 3.31Å; E277-R281 PolarHBondContact O-N 3.39Å; E278-R281 WeakPolarHBondContact O-CB 3.44Å; E278-R281 PolarHBondContact O-N 3.38Å; E278-R281 IonicContact OE1-CZ 2.72Å; E278-R281 IonicContact OE1-NE 2.65Å; E278-R281 PolarHBondContact OE1-NE 3.16Å; E278-R281 IonicContact OE1-NH2 2.66Å; E278-R281 PolarHBondContact OE1-NH2 3.48Å; E278-R281 IonicContact OE2-CZ 3.02Å; E278-R281 IonicContact OE2-NE 3.91Å; E278-R281 PolarHBondContact OE2-NE 3.04Å; E278-R281 IonicContact OE2-NH2 3.58Å; I279-R281 VanDerWaalsContact C-N 3.35Å; R281-E283 VanDerWaalsContact C-N 3.32Å; R281-Q284 WeakPolarHBondContact O-CB 3.49Å; R281-Q284 PolarHBondContact O-N 3.29Å; R281-S285 PolarHBondContact O-N 2.89Å; R281-E294 IonicContact CZ-OE1 2.86Å; R281-E294 VanDerWaalsContact CZ-OE1 3.24Å; R281-E294 IonicContact NH1-OE1 3.19Å; R281-E294 PolarHBondContact NH1-OE1 3.01Å; R281-E294 IonicContact NH1-OE2 2.67Å; R281-E294 IonicContact NH2-OE1 3.04Å; R281-E294 PolarHBondContact NH2-OE1 3.38Å
282L98.4Very high97.2Very high0 Ų066.8 Ų66.80%033%0.333CS..Hα-helixtrans-66.3-35.3177.8-69.6168.3000111.9L268 L274 E278 I279 S285 K286 E294 A295 T298L268-L282 HydrophobicContact CD1-CB 4.2Å; L268-L282 HydrophobicContact CD1-CD1 3.79Å; L268-L282 HydrophobicContact CD2-CD1 4.23Å; L274-L282 HydrophobicContact CD1-CD1 4.03Å; E278-L282 HydrophobicContact CG-CD1 4.27Å; E278-L282 VanDerWaalsContact O-CG 3.3Å; E278-L282 WeakPolarHBondContact O-CG 3.1Å; E278-L282 PolarHBondContact O-N 3.17Å; I279-L282 PolarHBondContact O-N 3.48Å; L282-S285 PolarHBondContact O-N 3.32Å; L282-K286 WeakPolarHBondContact O-CB 3.03Å; L282-K286 PolarHBondContact O-N 2.6Å; L282-E294 HydrophobicContact CD2-CG 3.95Å; L282-A295 HydrophobicContact CB-CB 4.4Å; L282-T298 HydrophobicContact CD1-CG2 3.82Å; L282-T298 WeakPolarHBondContact CD2-OG1 3.44Å
283E98.2Very high97.1Very high70 Ų7070.7 Ų70.733%0.32735%0.348SS..Hα-helixtrans-64-42.9172.8-179161.1-134.800111.8I265 I279 D280 R281 K286 N287I265-E283 HydrophobicContact CD1-CB 3.86Å; I265-E283 HydrophobicContact CG1-CB 4.03Å; I265-E283 HydrophobicContact CG1-CG 4.18Å; I265-E283 HydrophobicContact CG2-CB 4.31Å; I279-E283 WeakPolarHBondContact O-CB 3.35Å; I279-E283 PolarHBondContact O-N 3.27Å; D280-E283 PolarHBondContact O-N 2.96Å; R281-E283 VanDerWaalsContact C-N 3.32Å; E283-K286 PolarHBondContact O-N 3.34Å; E283-N287 VanDerWaalsContact O-CG 3.25Å; E283-N287 PolarHBondContact O-N 2.75Å; E283-N287 VanDerWaalsContact O-N 3.12Å; E283-N287 PolarHBondContact O-ND2 3.32Å; E283-N287 VanDerWaalsContact O-ND2 3.15Å
284Q97.8Very high97.1Very high107 Ų10770.5 Ų70.550%0.535%0.348SS..Hα-helixtrans-60.6-49.8172.8-175.6178.51.800111.5D280 R281 K286 N287 E288D280-Q284 PolarHBondContact O-N 3.35Å; R281-Q284 WeakPolarHBondContact O-CB 3.49Å; R281-Q284 PolarHBondContact O-N 3.29Å; Q284-K286 VanDerWaalsContact C-N 3.33Å; Q284-K286 PolarHBondContact O-N 3.17Å; Q284-N287 PolarHBondContact O-N 3.39Å; Q284-E288 HydrophobicContact CG-CG 4.33Å; Q284-E288 VanDerWaalsContact CG-OE1 3.31Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.42Å; Q284-E288 PolarHBondContact NE2-OE1 3.33Å; Q284-E288 WeakPolarHBondContact O-CG 2.95Å; Q284-E288 PolarHBondContact O-N 3.15Å
285S97.2Very high97.1Very high17 Ų1769.3 Ų69.312%0.11934%0.341CS..Hα-helixtrans-58.2-43.3178.3177.20000112.3R281 L282 N287 E288 A289 E294R281-S285 PolarHBondContact O-N 2.89Å; L282-S285 PolarHBondContact O-N 3.32Å; S285-N287 VanDerWaalsContact C-N 3.29Å; S285-N287 PolarHBondContact O-N 3.01Å; S285-E288 PolarHBondContact O-N 2.92Å; S285-A289 CarbonylContact O-C 3.56Å; S285-A289 WeakPolarHBondContact O-CA 3.41Å; S285-A289 PolarHBondContact O-N 3.02Å; S285-E294 VanDerWaalsContact CB-OE2 3.27Å; S285-E294 WeakPolarHBondContact CB-OE2 3.15Å; S285-E294 PolarHBondContact OG-OE2 2.79Å
286K96.7Very high97.1Very high38 Ų3867.6 Ų67.617%0.16532%0.324CS..Hα-helixtrans-59.3-38.9175-176.6-14068.6-175.60112D261 V264 I265 L282 E283 Q284 P290 A295D261-K286 HydrophobicContact CB-CD 4.26Å; D261-K286 HydrophobicContact CB-CG 4.43Å; D261-K286 WeakPolarHBondContact O-CD 3.47Å; V264-K286 HydrophobicContact CG1-CD 4.04Å; V264-K286 HydrophobicContact CG1-CG 4.38Å; I265-K286 HydrophobicContact CD1-CD 4.49Å; I265-K286 HydrophobicContact CG1-CD 4.19Å; L282-K286 WeakPolarHBondContact O-CB 3.03Å; L282-K286 PolarHBondContact O-N 2.6Å; E283-K286 PolarHBondContact O-N 3.34Å; Q284-K286 VanDerWaalsContact C-N 3.33Å; Q284-K286 PolarHBondContact O-N 3.17Å; K286-P290 WeakPolarHBondContact O-CA 3.48Å; K286-P290 WeakPolarHBondContact O-CB 3.44Å; K286-P290 WeakPolarHBondContact O-CD 3.14Å; K286-A295 HydrophobicContact CB-CB 4.42Å
287N96.6Very high97.2Very high108 Ų10867.4 Ų67.458%0.57832%0.323SS*.Hα-helixtrans-74.2-37.3179.2-66.8-28.9000112.6E283 Q284 S285E283-N287 VanDerWaalsContact O-CG 3.25Å; E283-N287 PolarHBondContact O-N 2.75Å; E283-N287 VanDerWaalsContact O-N 3.12Å; E283-N287 PolarHBondContact O-ND2 3.32Å; E283-N287 VanDerWaalsContact O-ND2 3.15Å; Q284-N287 PolarHBondContact O-N 3.39Å; S285-N287 VanDerWaalsContact C-N 3.29Å; S285-N287 PolarHBondContact O-N 3.01Å
288E97.2Very high97.2Very high141 Ų14161.2 Ų61.266%0.65930%0.295SS*.Hα-helixtrans-84.2-38.9-176.4-68.7177.7-178.700113.1Q284 S285Q284-E288 HydrophobicContact CG-CG 4.33Å; Q284-E288 VanDerWaalsContact CG-OE1 3.31Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.42Å; Q284-E288 PolarHBondContact NE2-OE1 3.33Å; Q284-E288 WeakPolarHBondContact O-CG 2.95Å; Q284-E288 PolarHBondContact O-N 3.15Å; S285-E288 PolarHBondContact O-N 2.92Å
289A95.6Very high97.2Very high20 Ų2058.2 Ų58.217%0.16528%0.281CS..  trans-14058.7-173.400000113S285 H291 L292S285-A289 CarbonylContact O-C 3.56Å; S285-A289 WeakPolarHBondContact O-CA 3.41Å; S285-A289 PolarHBondContact O-N 3.02Å; A289-H291 PolarHBondContact O-N 3.04Å; A289-H291 VanDerWaalsContact O-N 3.07Å; A289-L292 HydrophobicContact CB-CD1 3.75Å; A289-L292 HydrophobicContact CB-CG 4.05Å; A289-L292 WeakPolarHBondContact O-CB 3.35Å; A289-L292 PolarHBondContact O-N 3.41Å
290P94Very high97.2Very high55 Ų5558.2 Ų58.236%0.35728%0.281SS..G310 helixtrans-57.1-32.2-175.620.8-32.1000113.5K286 L292 R293K286-P290 WeakPolarHBondContact O-CA 3.48Å; K286-P290 WeakPolarHBondContact O-CB 3.44Å; K286-P290 WeakPolarHBondContact O-CD 3.14Å; P290-L292 PolarHBondContact O-N 3.27Å; P290-L292 VanDerWaalsContact O-N 3.15Å; P290-R293 PolarHBondContact O-N 3.43Å
291H93.4Very high97.2Very high151 Ų15158.4 Ų58.470%0.69928%0.28SS*.G310 helixtrans-61.9-20.7178.668.5-80.7000114.3A289 R293A289-H291 PolarHBondContact O-N 3.04Å; A289-H291 VanDerWaalsContact O-N 3.07Å; H291-R293 VanDerWaalsContact C-N 3.31Å
292L94.9Very high97.2Very high87 Ų8757.1 Ų57.146%0.45528%0.278SS..G310 helixtrans-77.2-20.1176.1-63.2-178.7000112.7A289 P290 E294 K297A289-L292 HydrophobicContact CB-CD1 3.75Å; A289-L292 HydrophobicContact CB-CG 4.05Å; A289-L292 WeakPolarHBondContact O-CB 3.35Å; A289-L292 PolarHBondContact O-N 3.41Å; P290-L292 PolarHBondContact O-N 3.27Å; P290-L292 VanDerWaalsContact O-N 3.15Å; L292-E294 PolarHBondContact O-N 2.82Å; L292-K297 PolarHBondContact O-NZ 3.23Å
293R96.2Very high97.2Very high86 Ų8657.1 Ų57.133%0.32528%0.278SS..  trans52.136.7-179.5-53.6-167.875.7176.98.3113.6I257 Q259 P290 H291 A295 Q296 K297I257-R293 PolarHBondContact O-NH2 2.92Å; Q259-R293 PolarHBondContact O-NH2 3.08Å; P290-R293 PolarHBondContact O-N 3.43Å; H291-R293 VanDerWaalsContact C-N 3.31Å; R293-A295 VanDerWaalsContact C-N 3.34Å; R293-A295 PolarHBondContact O-N 2.67Å; R293-Q296 HydrophobicContact CB-CB 4.41Å; R293-Q296 PolarHBondContact O-N 3.02Å; R293-K297 WeakPolarHBondContact O-CG 3.48Å; R293-K297 PolarHBondContact O-N 2.86Å
294E98Very high97.2Very high59 Ų5953.8 Ų53.828%0.27626%0.263SS..Hα-helixtrans-61.3-42.5-176-170-178.2174.100111.9R281 L282 S285 L292 Q296 K297 T298R281-E294 IonicContact CZ-OE1 2.86Å; R281-E294 VanDerWaalsContact CZ-OE1 3.24Å; R281-E294 IonicContact NH1-OE1 3.19Å; R281-E294 PolarHBondContact NH1-OE1 3.01Å; R281-E294 IonicContact NH1-OE2 2.67Å; R281-E294 IonicContact NH2-OE1 3.04Å; R281-E294 PolarHBondContact NH2-OE1 3.38Å; L282-E294 HydrophobicContact CD2-CG 3.95Å; S285-E294 VanDerWaalsContact CB-OE2 3.27Å; S285-E294 WeakPolarHBondContact CB-OE2 3.15Å; S285-E294 PolarHBondContact OG-OE2 2.79Å; L292-E294 PolarHBondContact O-N 2.82Å; E294-Q296 PolarHBondContact O-N 3.09Å; E294-K297 PolarHBondContact O-N 2.64Å; E294-T298 WeakPolarHBondContact O-CB 3.43Å; E294-T298 PolarHBondContact O-N 3.15Å; E294-T298 PolarHBondContact O-OG1 3.34Å
295A98.4Very high97.2Very high0 Ų053.3 Ų53.30%026%0.259CS..Hα-helixtrans-61.6-42.2177.100000112.4V264 I265 L268 L282 K286 R293 L299V264-A295 HydrophobicContact CB-CB 4.46Å; V264-A295 HydrophobicContact CG1-CB 3.87Å; V264-A295 HydrophobicContact CG2-CB 3.7Å; I265-A295 HydrophobicContact CD1-CB 4.2Å; L268-A295 HydrophobicContact CD1-CB 4.09Å; L282-A295 HydrophobicContact CB-CB 4.4Å; K286-A295 HydrophobicContact CB-CB 4.42Å; R293-A295 VanDerWaalsContact C-N 3.34Å; R293-A295 PolarHBondContact O-N 2.67Å; A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 PolarHBondContact O-N 3.02Å
296Q98.5Very high97.2Very high2 Ų255.2 Ų55.21%0.00927%0.265CS..Hα-helixtrans-70.4-39.8178.5-68.787.5-1500112.2Q259 D261 V264 R293 E294 L299 A300Q259-Q296 WeakPolarHBondContact O-CG 3.45Å; Q259-Q296 PolarHBondContact O-NE2 3.41Å; D261-Q296 PolarHBondContact OD1-NE2 3.4Å; V264-Q296 HydrophobicContact CB-CG 4.32Å; V264-Q296 HydrophobicContact CG2-CB 4.43Å; V264-Q296 HydrophobicContact CG2-CG 3.85Å; R293-Q296 HydrophobicContact CB-CB 4.41Å; R293-Q296 PolarHBondContact O-N 3.02Å; E294-Q296 PolarHBondContact O-N 3.09Å; Q296-L299 PolarHBondContact O-N 3.33Å; Q296-A300 WeakPolarHBondContact O-CB 3.33Å; Q296-A300 PolarHBondContact O-N 3.03Å
297K98.2Very high97.2Very high99 Ų9953.9 Ų53.943%0.4326%0.26SS..Hα-helixtrans-59.2-49.7174-73.6170.9-179.3163.40110.7I257 L292 R293 E294 L299 A300 E301I257-K297 HydrophobicContact CD1-CB 4.29Å; I257-K297 HydrophobicContact CD1-CG 3.84Å; L292-K297 PolarHBondContact O-NZ 3.23Å; R293-K297 WeakPolarHBondContact O-CG 3.48Å; R293-K297 PolarHBondContact O-N 2.86Å; E294-K297 PolarHBondContact O-N 2.64Å; K297-L299 PolarHBondContact O-N 3.09Å; K297-A300 PolarHBondContact O-N 2.99Å; K297-A300 VanDerWaalsContact O-N 3.16Å; K297-E301 WeakPolarHBondContact O-CB 3.33Å; K297-E301 VanDerWaalsContact O-CG 3.25Å; K297-E301 WeakPolarHBondContact O-CG 3.45Å; K297-E301 PolarHBondContact O-N 3.32Å
298T98.6Very high97.2Very high20 Ų2050.6 Ų50.612%0.12324%0.241CC..Hα-helixtrans-60.1-45.3178.2-50.30000111.4L268 L274 L282 E294 A300 E301 E302L268-T298 HydrophobicContact CD2-CG2 4.41Å; L274-T298 HydrophobicContact CD1-CG2 3.81Å; L282-T298 HydrophobicContact CD1-CG2 3.82Å; L282-T298 WeakPolarHBondContact CD2-OG1 3.44Å; E294-T298 WeakPolarHBondContact O-CB 3.43Å; E294-T298 PolarHBondContact O-N 3.15Å; E294-T298 PolarHBondContact O-OG1 3.34Å; T298-A300 VanDerWaalsContact C-N 3.34Å; T298-A300 PolarHBondContact O-N 3.06Å; T298-E301 PolarHBondContact O-N 2.75Å; T298-E302 HydrophobicContact CG2-CG 4.18Å; T298-E302 WeakPolarHBondContact O-CB 3.47Å; T298-E302 VanDerWaalsContact O-CG 3.3Å; T298-E302 WeakPolarHBondContact O-CG 3.25Å; T298-E302 PolarHBondContact O-N 3.43Å
299L98.7Very high97.2Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-58.4-46.1175.8177.962.4000111.8W256 Q259 V264 F267 L268 T272 A295 Q296 K297 V303W256-L299 HydrophobicContact CB-CG 4.37Å; W256-L299 HydrophobicContact CD2-CG 4.44Å; W256-L299 HydrophobicContact CE3-CD1 4.22Å; W256-L299 HydrophobicContact CE3-CD2 3.79Å; W256-L299 HydrophobicContact CE3-CG 3.9Å; W256-L299 HydrophobicContact CZ3-CD1 4.49Å; W256-L299 HydrophobicContact CZ3-CD2 4.4Å; Q259-L299 HydrophobicContact CG-CD2 4.18Å; V264-L299 HydrophobicContact CG2-CB 4.44Å; V264-L299 HydrophobicContact CG2-CD2 4.1Å; F267-L299 HydrophobicContact CB-CD1 4.22Å; F267-L299 HydrophobicContact CB-CD2 3.7Å; F267-L299 HydrophobicContact CD2-CD2 4.49Å; L268-L299 HydrophobicContact CD2-CB 3.77Å; L268-L299 HydrophobicContact CD2-CD1 4.18Å; L268-L299 HydrophobicContact CG-CB 4.19Å; L268-L299 HydrophobicContact CG-CD1 4.39Å; T272-L299 HydrophobicContact CG2-CD1 3.94Å; A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 PolarHBondContact O-N 3.02Å; Q296-L299 PolarHBondContact O-N 3.33Å; K297-L299 PolarHBondContact O-N 3.09Å; L299-V303 HydrophobicContact CD1-CG2 3.81Å; L299-V303 WeakPolarHBondContact O-CB 3.48Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.13Å; L299-V303 VanDerWaalsContact O-N 3.12Å
300A98.5Very high97.3Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-66-42.5-179.500000112.3Y253 W256 I257 Q296 K297 T298 T304Y253-A300 HydrophobicContact CD2-CB 3.59Å; Y253-A300 HydrophobicContact CE2-CB 3.49Å; Y253-A300 VanDerWaalsContact CE2-CB 3.49Å; Y253-A300 HydrophobicContact CG-CB 4.17Å; W256-A300 VanDerWaalsContact CB-CA 3.44Å; W256-A300 HydrophobicContact CB-CB 3.57Å; I257-A300 HydrophobicContact CD1-CB 3.66Å; I257-A300 HydrophobicContact CG1-CB 3.62Å; Q296-A300 WeakPolarHBondContact O-CB 3.33Å; Q296-A300 PolarHBondContact O-N 3.03Å; K297-A300 PolarHBondContact O-N 2.99Å; K297-A300 VanDerWaalsContact O-N 3.16Å; T298-A300 VanDerWaalsContact C-N 3.34Å; T298-A300 PolarHBondContact O-N 3.06Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 PolarHBondContact O-N 3.17Å; A300-T304 PolarHBondContact O-OG1 3.43Å
301E98.6Very high97.4Very high70 Ų7051.8 Ų51.833%0.32725%0.25SC..Hα-helixtrans-62.9-53.8177.8-71.5168.9-158.800111.1Y253 K297 T298 V303 T304 K305 L313 I317Y253-E301 HydrophobicContact CE2-CG 3.95Å; K297-E301 WeakPolarHBondContact O-CB 3.33Å; K297-E301 VanDerWaalsContact O-CG 3.25Å; K297-E301 WeakPolarHBondContact O-CG 3.45Å; K297-E301 PolarHBondContact O-N 3.32Å; T298-E301 PolarHBondContact O-N 2.75Å; E301-V303 PolarHBondContact O-N 2.81Å; E301-T304 PolarHBondContact O-N 3.42Å; E301-K305 WeakPolarHBondContact O-CB 3.41Å; E301-K305 PolarHBondContact O-N 3.47Å; E301-L313 HydrophobicContact CB-CD1 4.3Å; E301-L313 HydrophobicContact CB-CD2 4.18Å; E301-L313 HydrophobicContact CG-CD1 4.1Å; E301-L313 HydrophobicContact CG-CD2 4.44Å; E301-I317 HydrophobicContact CG-CD1 4.26Å
302E98.5Very high97.5Very high69 Ų6945.4 Ų45.432%0.32222%0.223SC..Hα-helixtrans-59.2-49.3-178.3-74.4-66.7128.700112.3T272 L274 T298 F306T272-E302 HydrophobicContact CG2-CB 3.71Å; T272-E302 HydrophobicContact CG2-CG 4.29Å; L274-E302 HydrophobicContact CD1-CG 4.24Å; L274-E302 HydrophobicContact CD2-CG 4.16Å; L274-E302 HydrophobicContact CG-CG 4.25Å; T298-E302 HydrophobicContact CG2-CG 4.18Å; T298-E302 WeakPolarHBondContact O-CB 3.47Å; T298-E302 VanDerWaalsContact O-CG 3.3Å; T298-E302 WeakPolarHBondContact O-CG 3.25Å; T298-E302 PolarHBondContact O-N 3.43Å; E302-F306 VanDerWaalsContact O-CB 3.26Å; E302-F306 WeakPolarHBondContact O-CB 3.24Å; E302-F306 PolarHBondContact O-N 3.37Å
303V98.1Very high97.6Very high1 Ų141.7 Ų41.71%0.00620%0.204CC..Hα-helixtrans-74.1-36.8-175.4-171.70000111.2L51 F252 W256 F271 T272 L299 E301 F306 I307L51-V303 HydrophobicContact CD2-CG1 4.36Å; F252-V303 HydrophobicContact CE1-CB 4.44Å; F252-V303 HydrophobicContact CE1-CG1 3.84Å; F252-V303 HydrophobicContact CZ-CG1 3.89Å; W256-V303 HydrophobicContact CD2-CB 4.45Å; W256-V303 HydrophobicContact CH2-CG1 4.44Å; W256-V303 HydrophobicContact CZ2-CB 4.39Å; W256-V303 HydrophobicContact CZ2-CG1 3.64Å; F271-V303 HydrophobicContact CB-CG2 3.85Å; T272-V303 HydrophobicContact CG2-CG2 4.1Å; L299-V303 HydrophobicContact CD1-CG2 3.81Å; L299-V303 WeakPolarHBondContact O-CB 3.48Å; L299-V303 VanDerWaalsContact O-CG2 3.24Å; L299-V303 WeakPolarHBondContact O-CG2 3.29Å; L299-V303 PolarHBondContact O-N 3.13Å; L299-V303 VanDerWaalsContact O-N 3.12Å; E301-V303 PolarHBondContact O-N 2.81Å; V303-F306 PolarHBondContact O-N 3.17Å; V303-I307 HydrophobicContact CG1-CG1 4.31Å; V303-I307 WeakPolarHBondContact O-CB 3.32Å; V303-I307 WeakPolarHBondContact O-CG1 3.48Å; V303-I307 PolarHBondContact O-N 3.2Å
304T98.3Very high97.6Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-67.8-44.3177-54.60000110.8F252 A300 E301 F306 I307 H308 L313F252-T304 HydrophobicContact CD1-CG2 4.46Å; A300-T304 WeakPolarHBondContact O-CB 3.49Å; A300-T304 PolarHBondContact O-N 3.17Å; A300-T304 PolarHBondContact O-OG1 3.43Å; E301-T304 PolarHBondContact O-N 3.42Å; T304-F306 VanDerWaalsContact C-N 3.32Å; T304-F306 PolarHBondContact O-N 3.26Å; T304-I307 PolarHBondContact O-N 2.92Å; T304-H308 WeakPolarHBondContact O-CB 3.36Å; T304-H308 PolarHBondContact O-N 3.21Å; T304-L313 HydrophobicContact CG2-CB 4.31Å; T304-L313 HydrophobicContact CG2-CD1 4.24Å
305K98Very high97.3Very high96 Ų9641.6 Ų41.642%0.41721%0.212SC..Hα-helixtrans-58.7-44.5174.5177.9174.3178146.30111.8E301 G309 E310 L313E301-K305 WeakPolarHBondContact O-CB 3.41Å; E301-K305 PolarHBondContact O-N 3.47Å; K305-G309 WeakPolarHBondContact O-CA 3.24Å; K305-G309 PolarHBondContact O-N 3.46Å; K305-E310 WeakPolarHBondContact CD-OE2 3.33Å; K305-E310 WeakPolarHBondContact CE-OE2 3.27Å; K305-E310 IonicContact NZ-OE1 3.23Å; K305-E310 IonicContact NZ-OE2 3.37Å; K305-E310 PolarHBondContact NZ-OE2 2.77Å; K305-L313 HydrophobicContact CB-CD2 3.93Å
306F96.9Very high97.1Very high57 Ų5741.7 Ų41.725%0.2521%0.212CC..Hα-helixtrans-65-40-179-173.7-99.6000112.5L55 R58 I110 F273 E302 V303 T304L55-F306 HydrophobicContact CD2-CD1 4.09Å; L55-F306 HydrophobicContact CD2-CE1 3.44Å; L55-F306 VanDerWaalsContact CD2-CE1 3.44Å; L55-F306 HydrophobicContact CD2-CZ 4.03Å; R58-F306 HydrophobicContact CG-CZ 4.46Å; I110-F306 HydrophobicContact CG1-CE1 4.39Å; I110-F306 HydrophobicContact CG2-CE1 4.24Å; I110-F306 HydrophobicContact CG2-CZ 4.38Å; F273-F306 HydrophobicContact CD2-CD2 4.41Å; F273-F306 HydrophobicContact CD2-CE2 4.26Å; F273-F306 HydrophobicContact CE2-CD2 4.15Å; F273-F306 HydrophobicContact CE2-CE1 4.3Å; F273-F306 AromaticContact CE2-CE2 3.68Å; F273-F306 HydrophobicContact CE2-CE2 3.68Å; F273-F306 AromaticContact CE2-CZ 3.78Å; F273-F306 HydrophobicContact CE2-CZ 3.78Å; F273-F306 HydrophobicContact CZ-CZ 4.37Å; E302-F306 VanDerWaalsContact O-CB 3.26Å; E302-F306 WeakPolarHBondContact O-CB 3.24Å; E302-F306 PolarHBondContact O-N 3.37Å; V303-F306 PolarHBondContact O-N 3.17Å; T304-F306 VanDerWaalsContact C-N 3.32Å; T304-F306 PolarHBondContact O-N 3.26Å
307I96.9Very high96.9Very high11 Ų1143.3 Ų43.36%0.05622%0.221CC..Hα-helixtrans-87.8-39.9-175.2-62.5-61.8000113.1L51 I110 L242 F252 V303 T304L51-I307 HydrophobicContact CD1-CD1 3.85Å; L51-I307 HydrophobicContact CD2-CD1 4.07Å; L51-I307 HydrophobicContact CD2-CG1 4.39Å; I110-I307 HydrophobicContact CG1-CD1 4.4Å; L242-I307 HydrophobicContact CB-CG2 4.19Å; L242-I307 HydrophobicContact CD2-CG2 4.28Å; F252-I307 HydrophobicContact CE1-CB 4.36Å; F252-I307 HydrophobicContact CE1-CG1 4.4Å; F252-I307 HydrophobicContact CZ-CB 4.21Å; F252-I307 HydrophobicContact CZ-CG1 3.99Å; F252-I307 HydrophobicContact CZ-CG2 4.31Å; V303-I307 HydrophobicContact CG1-CG1 4.31Å; V303-I307 WeakPolarHBondContact O-CB 3.32Å; V303-I307 WeakPolarHBondContact O-CG1 3.48Å; V303-I307 PolarHBondContact O-N 3.2Å; T304-I307 PolarHBondContact O-N 2.92Å
308H96.3Very high96.6Very high38 Ų3843.6 Ų43.618%0.17622%0.219CC..Hα-helixtrans-115-7.6-171-62.5-67000114.2L242 P249 F252 T304 A312L242-H308 PolarHBondContact O-CE1 2.89Å; P249-H308 HydrophobicContact CB-CB 4.43Å; P249-H308 HydrophobicContact CG-CB 4.38Å; F252-H308 AromaticContact CD1-CD2 3.84Å; F252-H308 AromaticContact CD1-NE2 3.91Å; F252-H308 AromaticContact CD2-NE2 3.73Å; F252-H308 AromaticContact CG-CD2 3.96Å; F252-H308 AromaticContact CG-NE2 3.57Å; T304-H308 WeakPolarHBondContact O-CB 3.36Å; T304-H308 PolarHBondContact O-N 3.21Å; H308-A312 HydrophobicContact CB-CB 3.6Å; H308-A312 VanDerWaalsContact O-CB 3.3Å; H308-A312 WeakPolarHBondContact O-CB 3.21Å
309G96.6Very high96.2Very high29 Ų2942.9 Ų42.930%0.29921%0.214SC..  trans87.6172.2-179.800000114.3K305 L313K305-G309 WeakPolarHBondContact O-CA 3.24Å; K305-G309 PolarHBondContact O-N 3.46Å; G309-L313 PolarHBondContact O-N 3.11Å; G309-L313 VanDerWaalsContact O-N 3.12Å
310E97.1Very high95.7Very high84 Ų8443.8 Ų43.839%0.39322%0.221SC..Hα-helixtrans-64.9-43.9-174.8-169.772.9-173.500112.7K305 A312 L313 N314K305-E310 WeakPolarHBondContact CD-OE2 3.33Å; K305-E310 WeakPolarHBondContact CE-OE2 3.27Å; K305-E310 IonicContact NZ-OE1 3.23Å; K305-E310 IonicContact NZ-OE2 3.37Å; K305-E310 PolarHBondContact NZ-OE2 2.77Å; E310-A312 PolarHBondContact O-N 3.46Å; E310-L313 WeakPolarHBondContact O-CB 3.4Å; E310-L313 PolarHBondContact O-N 2.9Å; E310-N314 PolarHBondContact O-N 2.89Å; E310-N314 PolarHBondContact O-ND2 3.21Å
311D96.2Very high95.3Very high128 Ų12849.8 Ų49.868%0.68425%0.249SC*.Hα-helixtrans-63.6-44-178.2-66.8-24.8000111.2L313 N314 D315D311-L313 VanDerWaalsContact C-N 3.33Å; D311-L313 PolarHBondContact O-N 3.32Å; D311-N314 PolarHBondContact O-N 2.88Å; D311-D315 PolarHBondContact O-N 3.4Å
312A95.3Very high94.7Very high17 Ų1746.7 Ų46.714%0.1424%0.235CC..Hα-helixtrans-65.7-35.4176.900000112.5P249 H308 E310 A316P249-A312 HydrophobicContact CB-CB 3.96Å; P249-A312 HydrophobicContact CG-CB 3.98Å; H308-A312 HydrophobicContact CB-CB 3.6Å; H308-A312 VanDerWaalsContact O-CB 3.3Å; H308-A312 WeakPolarHBondContact O-CB 3.21Å; E310-A312 PolarHBondContact O-N 3.46Å; A312-A316 WeakPolarHBondContact O-CB 3.41Å; A312-A316 PolarHBondContact O-N 2.93Å
313L97.4Very high94Very high10 Ų1044.5 Ų44.55%0.05223%0.226CC..Hα-helixtrans-62.3-48.5171.2170.761.7000111Y253 E301 T304 K305 G309 E310 D311 D315 A316 I317Y253-L313 HydrophobicContact CD2-CD1 3.84Å; Y253-L313 HydrophobicContact CE2-CD1 3.81Å; E301-L313 HydrophobicContact CB-CD1 4.3Å; E301-L313 HydrophobicContact CB-CD2 4.18Å; E301-L313 HydrophobicContact CG-CD1 4.1Å; E301-L313 HydrophobicContact CG-CD2 4.44Å; T304-L313 HydrophobicContact CG2-CB 4.31Å; T304-L313 HydrophobicContact CG2-CD1 4.24Å; K305-L313 HydrophobicContact CB-CD2 3.93Å; G309-L313 PolarHBondContact O-N 3.11Å; G309-L313 VanDerWaalsContact O-N 3.12Å; E310-L313 WeakPolarHBondContact O-CB 3.4Å; E310-L313 PolarHBondContact O-N 2.9Å; D311-L313 VanDerWaalsContact C-N 3.33Å; D311-L313 PolarHBondContact O-N 3.32Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.82Å; L313-A316 PolarHBondContact O-N 3.23Å; L313-A316 VanDerWaalsContact O-N 3.16Å; L313-I317 HydrophobicContact CD1-CD1 3.75Å; L313-I317 HydrophobicContact CD1-CG1 3.94Å; L313-I317 HydrophobicContact CD2-CD1 4.45Å; L313-I317 HydrophobicContact CG-CD1 3.87Å; L313-I317 HydrophobicContact CG-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CG1 3.33Å; L313-I317 PolarHBondContact O-N 3.13Å
314N96.1Very high93.3Very high78 Ų7853.7 Ų53.742%0.41727%0.266SS..Hα-helixtrans-59.9-42.5-179.9-73.1-36.6000111.5E310 D311 I317 R318E310-N314 PolarHBondContact O-N 2.89Å; E310-N314 PolarHBondContact O-ND2 3.21Å; D311-N314 PolarHBondContact O-N 2.88Å; N314-I317 PolarHBondContact O-N 3.41Å; N314-R318 WeakPolarHBondContact O-CB 3.14Å; N314-R318 PolarHBondContact O-N 3.21Å
315D92Very high92.6Very high65 Ų6557.7 Ų57.735%0.34829%0.294SS..Hα-helixtrans-61.6-47.2173.6-72.9-16.5000111.2D311 L313 I317 R318 I319D311-D315 PolarHBondContact O-N 3.4Å; L313-D315 VanDerWaalsContact C-N 3.3Å; L313-D315 PolarHBondContact O-N 2.82Å; D315-I317 VanDerWaalsContact C-N 3.34Å; D315-I317 PolarHBondContact O-N 3.18Å; D315-R318 PolarHBondContact O-N 2.98Å; D315-R318 IonicContact OD1-CZ 2.7Å; D315-R318 IonicContact OD1-NH1 3.43Å; D315-R318 IonicContact OD1-NH2 3.91Å; D315-R318 PolarHBondContact OD1-NH2 2.98Å; D315-I319 WeakPolarHBondContact O-CD1 3.49Å; D315-I319 WeakPolarHBondContact O-CG1 3.48Å; D315-I319 PolarHBondContact O-N 3.1Å
316A94.2Very high91.8Very high1 Ų153.7 Ų53.71%0.00828%0.28CS..Hα-helixtrans-60.9-39.8178.400000112.9Y253 A312 L313 S320Y253-A316 HydrophobicContact CD2-CB 4.49Å; Y253-A316 HydrophobicContact CG-CB 4.04Å; A312-A316 WeakPolarHBondContact O-CB 3.41Å; A312-A316 PolarHBondContact O-N 2.93Å; L313-A316 PolarHBondContact O-N 3.23Å; L313-A316 VanDerWaalsContact O-N 3.16Å; A316-S320 VanDerWaalsContact O-CB 3.3Å; A316-S320 WeakPolarHBondContact O-CB 3.36Å; A316-S320 PolarHBondContact O-N 2.86Å; A316-S320 PolarHBondContact O-OG 3.26Å
317I94.5Very high91.3Very high36 Ų3655 Ų5519%0.18529%0.289CS..Hα-helixtrans-65.5-47174.1-68.7171.6000110.3Y253 E301 L313 N314 D315 I319 S320 Q321Y253-I317 HydrophobicContact CE2-CG1 4.05Å; E301-I317 HydrophobicContact CG-CD1 4.26Å; L313-I317 HydrophobicContact CD1-CD1 3.75Å; L313-I317 HydrophobicContact CD1-CG1 3.94Å; L313-I317 HydrophobicContact CD2-CD1 4.45Å; L313-I317 HydrophobicContact CG-CD1 3.87Å; L313-I317 HydrophobicContact CG-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CG1 3.33Å; L313-I317 PolarHBondContact O-N 3.13Å; N314-I317 PolarHBondContact O-N 3.41Å; D315-I317 VanDerWaalsContact C-N 3.34Å; D315-I317 PolarHBondContact O-N 3.18Å; I317-I319 PolarHBondContact O-N 2.86Å; I317-S320 WeakPolarHBondContact O-CB 3.28Å; I317-S320 PolarHBondContact O-N 3.5Å; I317-Q321 HydrophobicContact CG2-CG 4.29Å; I317-Q321 WeakPolarHBondContact O-CB 3.28Å; I317-Q321 WeakPolarHBondContact O-CG 3.14Å; I317-Q321 PolarHBondContact O-N 3.3Å
318R91.2Very high90.7Very high106 Ų10654.7 Ų54.740%0.429%0.288SS..Hα-helixtrans-58.5-49.8179-179.6174.465.6-148.4-7.8111.1N314 D315 S320 Q321 A322 L331 E335N314-R318 WeakPolarHBondContact O-CB 3.14Å; N314-R318 PolarHBondContact O-N 3.21Å; D315-R318 PolarHBondContact O-N 2.98Å; D315-R318 IonicContact OD1-CZ 2.7Å; D315-R318 IonicContact OD1-NH1 3.43Å; D315-R318 IonicContact OD1-NH2 3.91Å; D315-R318 PolarHBondContact OD1-NH2 2.98Å; R318-S320 VanDerWaalsContact C-N 3.33Å; R318-S320 PolarHBondContact O-N 2.89Å; R318-Q321 PolarHBondContact O-N 3.23Å; R318-A322 WeakPolarHBondContact O-CB 3.35Å; R318-A322 PolarHBondContact O-N 3.42Å; R318-L331 HydrophobicContact CG-CD2 4.01Å; R318-E335 IonicContact CZ-OE1 2.85Å; R318-E335 IonicContact CZ-OE2 2.64Å; R318-E335 IonicContact NE-OE1 2.71Å; R318-E335 PolarHBondContact NE-OE1 3.25Å; R318-E335 IonicContact NE-OE2 3.84Å; R318-E335 IonicContact NH2-OE1 3.37Å; R318-E335 PolarHBondContact NH2-OE1 2.83Å; R318-E335 IonicContact NH2-OE2 3.76Å; R318-E335 PolarHBondContact NH2-OE2 2.93Å
319I90.2Very high90.1Very high4 Ų459.4 Ų59.42%0.02131%0.308CS..Hα-helixtrans-56.7-49.3175.8-63.7163.3000109.9Y250 D315 I317 Q321 A322 L323 L331 E335Y250-I319 HydrophobicContact CD1-CG2 4.4Å; Y250-I319 HydrophobicContact CD2-CB 3.82Å; Y250-I319 HydrophobicContact CD2-CG2 3.41Å; Y250-I319 VanDerWaalsContact CD2-CG2 3.41Å; Y250-I319 HydrophobicContact CE2-CB 4.34Å; Y250-I319 HydrophobicContact CE2-CG2 3.65Å; Y250-I319 HydrophobicContact CG-CB 4.39Å; Y250-I319 HydrophobicContact CG-CD1 4.48Å; Y250-I319 HydrophobicContact CG-CG2 3.82Å; D315-I319 WeakPolarHBondContact O-CD1 3.49Å; D315-I319 WeakPolarHBondContact O-CG1 3.48Å; D315-I319 PolarHBondContact O-N 3.1Å; I317-I319 PolarHBondContact O-N 2.86Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.04Å; I319-A322 PolarHBondContact O-N 2.82Å; I319-L323 HydrophobicContact CG2-CD1 3.64Å; I319-L323 HydrophobicContact CG2-CG 4.12Å; I319-L323 WeakPolarHBondContact O-CB 3.27Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 2.86Å; I319-L331 HydrophobicContact CG1-CD2 4.15Å; I319-E335 HydrophobicContact CD1-CB 4.03Å; I319-E335 HydrophobicContact CD1-CG 3.97Å; I319-E335 HydrophobicContact CG1-CB 3.86Å; I319-E335 HydrophobicContact CG1-CG 3.99Å
320S89.4Confident89.5Confident20 Ų2060.9 Ų60.914%0.1431%0.313CS..Hα-helixtrans-58.9-42.9-179.8-60.20000112.5Y250 Q254 A316 I317 R318 F324Y250-S320 WeakPolarHBondContact CE2-OG 3.36Å; Q254-S320 PolarHBondContact NE2-OG 3.4Å; A316-S320 VanDerWaalsContact O-CB 3.3Å; A316-S320 WeakPolarHBondContact O-CB 3.36Å; A316-S320 PolarHBondContact O-N 2.86Å; A316-S320 PolarHBondContact O-OG 3.26Å; I317-S320 WeakPolarHBondContact O-CB 3.28Å; I317-S320 PolarHBondContact O-N 3.5Å; R318-S320 VanDerWaalsContact C-N 3.33Å; R318-S320 PolarHBondContact O-N 2.89Å; S320-F324 VanDerWaalsContact O-CB 3.3Å; S320-F324 WeakPolarHBondContact O-CB 3.28Å; S320-F324 PolarHBondContact O-N 2.98Å; S320-F324 VanDerWaalsContact O-N 3.14Å
321Q89.5Confident89.1Confident126 Ų12657.5 Ų57.559%0.58930%0.298SS*.Hα-helixtrans-68.5-45.5178.5-721771.900112.1I317 R318 I319 F324 S325I317-Q321 HydrophobicContact CG2-CG 4.29Å; I317-Q321 WeakPolarHBondContact O-CB 3.28Å; I317-Q321 WeakPolarHBondContact O-CG 3.14Å; I317-Q321 PolarHBondContact O-N 3.3Å; R318-Q321 PolarHBondContact O-N 3.23Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.04Å; Q321-F324 PolarHBondContact O-N 3.43Å; Q321-S325 WeakPolarHBondContact O-CB 3.43Å; Q321-S325 PolarHBondContact O-N 3.17Å; Q321-S325 PolarHBondContact O-OG 2.87Å; Q321-S325 VanDerWaalsContact O-OG 3.13Å
322A86.7Confident88.7Confident5 Ų554.1 Ų54.14%0.04128%0.284CS..Hα-helixtrans-64.6-41.7179.500000112.4R318 I319 F324 S325 G326 D327 S330 L331R318-A322 WeakPolarHBondContact O-CB 3.35Å; R318-A322 PolarHBondContact O-N 3.42Å; I319-A322 PolarHBondContact O-N 2.82Å; A322-F324 VanDerWaalsContact C-N 3.32Å; A322-F324 PolarHBondContact O-N 3.36Å; A322-S325 PolarHBondContact O-OG 3.18Å; A322-G326 CarbonylContact O-C 3.49Å; A322-G326 WeakPolarHBondContact O-CA 3.46Å; A322-G326 PolarHBondContact O-N 3.42Å; A322-D327 PolarHBondContact O-N 3.3Å; A322-D327 VanDerWaalsContact O-N 3.1Å; A322-S330 WeakPolarHBondContact CB-OG 3.34Å; A322-L331 HydrophobicContact CB-CD1 3.69Å; A322-L331 HydrophobicContact CB-CD2 3.68Å; A322-L331 HydrophobicContact CB-CG 3.61Å
323L84.1Confident88.4Confident23 Ų2353.8 Ų53.812%0.1228%0.282CS..Hα-helixtrans-64.9-36.9174.9-68.6176.5000112.2Y250 I319 L328 F340Y250-L323 HydrophobicContact CE1-CD1 4.26Å; Y250-L323 HydrophobicContact CE2-CD1 3.85Å; Y250-L323 VanDerWaalsContact OH-CD1 3.22Å; Y250-L323 WeakPolarHBondContact OH-CD1 3.19Å; I319-L323 HydrophobicContact CG2-CD1 3.64Å; I319-L323 HydrophobicContact CG2-CG 4.12Å; I319-L323 WeakPolarHBondContact O-CB 3.27Å; I319-L323 WeakPolarHBondContact O-CG 3.5Å; I319-L323 PolarHBondContact O-N 2.86Å; L323-L328 HydrophobicContact CD2-CD2 3.89Å; L323-F340 HydrophobicContact CD2-CD2 3.92Å; L323-F340 HydrophobicContact CD2-CE1 3.89Å; L323-F340 HydrophobicContact CD2-CE2 3.18Å; L323-F340 HydrophobicContact CD2-CZ 3.16Å
324F82.7Confident87.9Confident194 Ų19459.9 Ų59.985%0.85131%0.308SS*.Hα-helixtrans-72.3-42.8177.7-176-97.3000112.5S320 Q321 A322 G326S320-F324 VanDerWaalsContact O-CB 3.3Å; S320-F324 WeakPolarHBondContact O-CB 3.28Å; S320-F324 PolarHBondContact O-N 2.98Å; S320-F324 VanDerWaalsContact O-N 3.14Å; Q321-F324 PolarHBondContact O-N 3.43Å; A322-F324 VanDerWaalsContact C-N 3.32Å; A322-F324 PolarHBondContact O-N 3.36Å; F324-G326 VanDerWaalsContact C-N 3.35Å
325S84.5Confident87.5Confident84 Ų8456.8 Ų56.859%0.58729%0.291SS*.Hα-helixtrans-75.6-24.2178.468.30000112.9Q321 A322 D327Q321-S325 WeakPolarHBondContact O-CB 3.43Å; Q321-S325 PolarHBondContact O-N 3.17Å; Q321-S325 PolarHBondContact O-OG 2.87Å; Q321-S325 VanDerWaalsContact O-OG 3.13Å; A322-S325 PolarHBondContact O-OG 3.18Å; S325-D327 WeakPolarHBondContact OG-CB 3.22Å; S325-D327 PolarHBondContact OG-N 2.95Å
326G80.6Confident87.4Confident11 Ų1153.8 Ų53.811%0.11328%0.275CS..THydrogen-bonded Turntrans847.3-171.700000113.9A322 F324 L328 G384A322-G326 CarbonylContact O-C 3.49Å; A322-G326 WeakPolarHBondContact O-CA 3.46Å; A322-G326 PolarHBondContact O-N 3.42Å; F324-G326 VanDerWaalsContact C-N 3.35Å; G326-L328 PolarHBondContact O-N 3.06Å; G326-G384 WeakPolarHBondContact O-CA 3.44Å
327D85.1Confident87.1Confident85 Ų8557.6 Ų57.646%0.45529%0.291SS..  trans-81.466.9178.2-173.412.2000111.7A322 S325 K329 S330A322-D327 PolarHBondContact O-N 3.3Å; A322-D327 VanDerWaalsContact O-N 3.1Å; S325-D327 WeakPolarHBondContact OG-CB 3.22Å; S325-D327 PolarHBondContact OG-N 2.95Å; D327-K329 PolarHBondContact O-N 3.21Å; D327-S330 PolarHBondContact O-N 3.43Å; D327-S330 PolarHBondContact O-OG 3.14Å
328L85.7Confident86.6Confident5 Ų557.9 Ų57.93%0.02629%0.293CS..G310 helixtrans-67.1-21.2-176.4-56.5-170.8000113L323 G326 S330 L331 L336 F340 I406L323-L328 HydrophobicContact CD2-CD2 3.89Å; G326-L328 PolarHBondContact O-N 3.06Å; L328-S330 PolarHBondContact O-N 2.97Å; L328-L331 PolarHBondContact O-N 3.46Å; L328-L336 HydrophobicContact CB-CD2 4.07Å; L328-L336 HydrophobicContact CD2-CD2 4.21Å; L328-F340 HydrophobicContact CD1-CE2 4.06Å; L328-F340 HydrophobicContact CD1-CZ 3.97Å; L328-F340 HydrophobicContact CD2-CE2 3.85Å; L328-F340 HydrophobicContact CD2-CZ 3.87Å; L328-I406 HydrophobicContact CD1-CB 3.82Å; L328-I406 HydrophobicContact CD1-CG1 4.28Å; L328-I406 HydrophobicContact CD1-CG2 3.59Å
329K82.8Confident86.4Confident137 Ų13753.4 Ų53.460%0.59628%0.279SS*.G310 helixtrans-70.1-19.5179.8-69.3178.9176.9169.80113.3D327 L331 E385D327-K329 PolarHBondContact O-N 3.21Å; K329-L331 PolarHBondContact O-N 2.99Å; K329-E385 WeakPolarHBondContact CE-OE1 3.45Å; K329-E385 VanDerWaalsContact NZ-CG 3.3Å; K329-E385 IonicContact NZ-OE1 2.72Å; K329-E385 PolarHBondContact NZ-OE1 3.49Å
330S84.9Confident86.2Confident59 Ų5953.4 Ų53.441%0.41328%0.279SS..G310 helixtrans-75-12.3175.568.40000113.6A322 D327 L328A322-S330 WeakPolarHBondContact CB-OG 3.34Å; D327-S330 PolarHBondContact O-N 3.43Å; D327-S330 PolarHBondContact O-OG 3.14Å; L328-S330 PolarHBondContact O-N 2.97Å
331L87.9Confident85.8Confident14 Ų1457 Ų577%0.07329%0.292CS..SBendtrans-100.7144.4-176.4-60.2-178.9000111.4R318 I319 A322 L328 K329 E335 L336R318-L331 HydrophobicContact CG-CD2 4.01Å; I319-L331 HydrophobicContact CG1-CD2 4.15Å; A322-L331 HydrophobicContact CB-CD1 3.69Å; A322-L331 HydrophobicContact CB-CD2 3.68Å; A322-L331 HydrophobicContact CB-CG 3.61Å; L328-L331 PolarHBondContact O-N 3.46Å; K329-L331 PolarHBondContact O-N 2.99Å; L331-E335 HydrophobicContact CB-CB 4.07Å; L331-E335 HydrophobicContact CD2-CB 4.33Å; L331-L336 HydrophobicContact CB-CD1 4.4Å; L331-L336 HydrophobicContact CB-CD2 4Å; L331-L336 HydrophobicContact CB-CG 3.77Å; L331-L336 HydrophobicContact CD1-CD2 3.7Å; L331-L336 HydrophobicContact CD1-CG 4.25Å; L331-L336 HydrophobicContact CG-CD2 4.44Å
332S88.5Confident85.3Confident57 Ų5756.3 Ų56.340%0.39929%0.293SS..  trans-70.8164.4168.165.20000111.9K334 E335 L336S332-K334 VanDerWaalsContact C-N 3.26Å; S332-K334 PolarHBondContact O-N 3.16Å; S332-E335 WeakPolarHBondContact CB-OE2 2.91Å; S332-E335 PolarHBondContact N-OE2 3.36Å; S332-E335 PolarHBondContact O-N 2.97Å; S332-E335 VanDerWaalsContact OG-CG 3.23Å; S332-E335 WeakPolarHBondContact OG-CG 3.46Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.41Å; S332-L336 WeakPolarHBondContact O-CG 3.25Å; S332-L336 PolarHBondContact O-N 2.9Å
333A88.5Confident85.3Confident10 Ų1057.6 Ų57.68%0.08330%0.3CS..Hα-helixtrans-58.8-38176.500000112.8L336 K337 I400 D401 F404A333-L336 PolarHBondContact O-N 3.48Å; A333-K337 WeakPolarHBondContact O-CG 3.33Å; A333-K337 PolarHBondContact O-N 3.07Å; A333-I400 HydrophobicContact CB-CG2 3.78Å; A333-D401 HydrophobicContact CB-CB 4.08Å; A333-D401 WeakPolarHBondContact CB-OD2 3.31Å; A333-F404 HydrophobicContact CB-CE1 4.13Å; A333-F404 HydrophobicContact CB-CZ 4.2Å
334K87.5Confident85.6Confident138 Ų13860 Ų6060%0.632%0.317SS*.Hα-helixtrans-62-48.6175.7-178179.7177.2-177.60111.2S332 L336 K337 D338S332-K334 VanDerWaalsContact C-N 3.26Å; S332-K334 PolarHBondContact O-N 3.16Å; K334-L336 VanDerWaalsContact C-N 3.32Å; K334-L336 PolarHBondContact O-N 2.92Å; K334-K337 WeakPolarHBondContact O-CB 3.42Å; K334-K337 PolarHBondContact O-N 3.39Å; K334-K337 VanDerWaalsContact O-N 3.13Å; K334-D338 PolarHBondContact O-N 2.8Å
335E87.8Confident86.1Confident13 Ų1354.8 Ų54.86%0.06130%0.295CS..Hα-helixtrans-63.6-37.1179.7-73.6175.7104.300113.4R318 I319 L331 S332 D338 G339R318-E335 IonicContact CZ-OE1 2.85Å; R318-E335 IonicContact CZ-OE2 2.64Å; R318-E335 IonicContact NE-OE1 2.71Å; R318-E335 PolarHBondContact NE-OE1 3.25Å; R318-E335 IonicContact NE-OE2 3.84Å; R318-E335 IonicContact NH2-OE1 3.37Å; R318-E335 PolarHBondContact NH2-OE1 2.83Å; R318-E335 IonicContact NH2-OE2 3.76Å; R318-E335 PolarHBondContact NH2-OE2 2.93Å; I319-E335 HydrophobicContact CD1-CB 4.03Å; I319-E335 HydrophobicContact CD1-CG 3.97Å; I319-E335 HydrophobicContact CG1-CB 3.86Å; I319-E335 HydrophobicContact CG1-CG 3.99Å; L331-E335 HydrophobicContact CB-CB 4.07Å; L331-E335 HydrophobicContact CD2-CB 4.33Å; S332-E335 WeakPolarHBondContact CB-OE2 2.91Å; S332-E335 PolarHBondContact N-OE2 3.36Å; S332-E335 PolarHBondContact O-N 2.97Å; S332-E335 VanDerWaalsContact OG-CG 3.23Å; S332-E335 WeakPolarHBondContact OG-CG 3.46Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.41Å; E335-D338 PolarHBondContact O-N 2.88Å; E335-G339 PolarHBondContact O-N 3.32Å
336L89.5Confident86.6Confident1 Ų151.9 Ų51.91%0.00527%0.274CS..Hα-helixtrans-66.9-40173.6-72.3167.2000111.2L328 L331 S332 A333 K334 G339 F340 I400 F404L328-L336 HydrophobicContact CB-CD2 4.07Å; L328-L336 HydrophobicContact CD2-CD2 4.21Å; L331-L336 HydrophobicContact CB-CD1 4.4Å; L331-L336 HydrophobicContact CB-CD2 4Å; L331-L336 HydrophobicContact CB-CG 3.77Å; L331-L336 HydrophobicContact CD1-CD2 3.7Å; L331-L336 HydrophobicContact CD1-CG 4.25Å; L331-L336 HydrophobicContact CG-CD2 4.44Å; S332-L336 WeakPolarHBondContact O-CG 3.25Å; S332-L336 PolarHBondContact O-N 2.9Å; A333-L336 PolarHBondContact O-N 3.48Å; K334-L336 VanDerWaalsContact C-N 3.32Å; K334-L336 PolarHBondContact O-N 2.92Å; L336-G339 PolarHBondContact O-N 3.45Å; L336-F340 HydrophobicContact CB-CD2 4.48Å; L336-F340 HydrophobicContact CD2-CD2 4.01Å; L336-F340 HydrophobicContact CD2-CE2 3.7Å; L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.36Å; L336-F340 WeakPolarHBondContact O-CD2 3.48Å; L336-F340 PolarHBondContact O-N 3.06Å; L336-I400 HydrophobicContact CD1-CD1 3.35Å; L336-I400 HydrophobicContact CD1-CG2 4.07Å; L336-F404 HydrophobicContact CB-CE2 3.92Å; L336-F404 HydrophobicContact CB-CZ 3.94Å; L336-F404 HydrophobicContact CD1-CE2 4.35Å; L336-F404 HydrophobicContact CD1-CZ 4.48Å
337K88.1Confident87.3Confident82 Ų8254.4 Ų54.436%0.35729%0.287SS..Hα-helixtrans-59.5-46.4173.2-77177.2176.2177.10111.6A333 K334 F340 K341 E403 F404 M416A333-K337 WeakPolarHBondContact O-CG 3.33Å; A333-K337 PolarHBondContact O-N 3.07Å; K334-K337 WeakPolarHBondContact O-CB 3.42Å; K334-K337 PolarHBondContact O-N 3.39Å; K334-K337 VanDerWaalsContact O-N 3.13Å; K337-F340 PolarHBondContact O-N 3.22Å; K337-K341 WeakPolarHBondContact O-CA 3.27Å; K337-K341 WeakPolarHBondContact O-CB 3.31Å; K337-K341 PolarHBondContact O-N 3.14Å; K337-E403 WeakPolarHBondContact CE-OE2 3.24Å; K337-E403 IonicContact NZ-OE2 2.8Å; K337-E403 PolarHBondContact NZ-OE2 2.9Å; K337-F404 HydrophobicContact CD-CE1 4.29Å; K337-F404 HydrophobicContact CG-CE1 3.94Å; K337-F404 HydrophobicContact CG-CZ 4.11Å; K337-M416 HydrophobicContact CG-CE 4.43Å
338D84.1Confident87.8Confident42 Ų4250.4 Ų50.423%0.22527%0.266CS..Hα-helixtrans-64.2-46178.2-66.4-20.9000111.6K334 E335 F340K334-D338 PolarHBondContact O-N 2.8Å; E335-D338 PolarHBondContact O-N 2.88Å; D338-F340 VanDerWaalsContact C-N 3.32Å; D338-F340 PolarHBondContact O-N 3.18Å
339G85.5Confident88.1Confident11 Ų1152 Ų5211%0.11328%0.278CS..Hα-helixtrans-67.2-27.9-179.200000115E335 L336E335-G339 PolarHBondContact O-N 3.32Å; L336-G339 PolarHBondContact O-N 3.45Å
340F85.9Confident88.4Confident4 Ų448.9 Ų48.92%0.01827%0.268CS..THydrogen-bonded Turntrans-11514.4-176.2-71.6-73.9000113.4L323 L328 L336 K337 D338 D342 V343 Q345 I406 Y414 M416L323-F340 HydrophobicContact CD2-CD2 3.92Å; L323-F340 HydrophobicContact CD2-CE1 3.89Å; L323-F340 HydrophobicContact CD2-CE2 3.18Å; L323-F340 HydrophobicContact CD2-CZ 3.16Å; L328-F340 HydrophobicContact CD1-CE2 4.06Å; L328-F340 HydrophobicContact CD1-CZ 3.97Å; L328-F340 HydrophobicContact CD2-CE2 3.85Å; L328-F340 HydrophobicContact CD2-CZ 3.87Å; L336-F340 HydrophobicContact CB-CD2 4.48Å; L336-F340 HydrophobicContact CD2-CD2 4.01Å; L336-F340 HydrophobicContact CD2-CE2 3.7Å; L336-F340 VanDerWaalsContact O-CB 3.28Å; L336-F340 WeakPolarHBondContact O-CB 3.36Å; L336-F340 WeakPolarHBondContact O-CD2 3.48Å; L336-F340 PolarHBondContact O-N 3.06Å; K337-F340 PolarHBondContact O-N 3.22Å; D338-F340 VanDerWaalsContact C-N 3.32Å; D338-F340 PolarHBondContact O-N 3.18Å; F340-D342 VanDerWaalsContact C-N 3.29Å; F340-D342 PolarHBondContact O-N 3.17Å; F340-V343 HydrophobicContact CB-CG1 4.4Å; F340-V343 HydrophobicContact CB-CG2 3.84Å; F340-V343 HydrophobicContact CD1-CB 4.28Å; F340-V343 HydrophobicContact CD1-CG1 3.61Å; F340-V343 HydrophobicContact CD1-CG2 3.77Å; F340-V343 HydrophobicContact CE1-CG1 4.42Å; F340-V343 HydrophobicContact CG-CG1 4.49Å; F340-V343 HydrophobicContact CG-CG2 4.27Å; F340-V343 WeakPolarHBondContact O-CG2 3.48Å; F340-V343 PolarHBondContact O-N 3.11Å; F340-V343 VanDerWaalsContact O-N 3.11Å; F340-Q345 PolarHBondContact O-NE2 3.1Å; F340-Q345 VanDerWaalsContact O-NE2 3.07Å; F340-I406 HydrophobicContact CB-CD1 4.29Å; F340-I406 HydrophobicContact CD1-CG2 4.48Å; F340-I406 HydrophobicContact CD2-CD1 3.77Å; F340-I406 HydrophobicContact CD2-CG1 4.06Å; F340-I406 HydrophobicContact CD2-CG2 4.49Å; F340-I406 HydrophobicContact CE1-CG2 4.02Å; F340-I406 HydrophobicContact CE2-CD1 4.21Å; F340-I406 HydrophobicContact CE2-CG1 4.01Å; F340-I406 HydrophobicContact CE2-CG2 3.98Å; F340-I406 HydrophobicContact CG-CD1 3.99Å; F340-I406 HydrophobicContact CZ-CG2 3.73Å; F340-Y414 HydrophobicContact CD1-CD1 4.48Å; F340-Y414 HydrophobicContact CD1-CG 4.42Å; F340-Y414 AromaticContact CE1-CD1 3.36Å; F340-Y414 HydrophobicContact CE1-CD1 3.36Å; F340-Y414 HydrophobicContact CE1-CD2 4.3Å; F340-Y414 AromaticContact CE1-CE1 3.98Å; F340-Y414 HydrophobicContact CE1-CE1 3.98Å; F340-Y414 AromaticContact CE1-CG 3.54Å; F340-Y414 HydrophobicContact CE1-CG 3.54Å; F340-Y414 AromaticContact CZ-CD1 3.71Å; F340-Y414 HydrophobicContact CZ-CD1 3.71Å; F340-Y414 AromaticContact CZ-CE1 3.96Å; F340-Y414 HydrophobicContact CZ-CE1 3.96Å; F340-Y414 HydrophobicContact CZ-CG 4.33Å; F340-M416 HydrophobicContact CB-CE 3.45Å; F340-M416 VanDerWaalsContact CB-CE 3.45Å; F340-M416 HydrophobicContact CG-CE 4.49Å
341K82.9Confident88.7Confident96 Ų9653 Ų5342%0.41729%0.285SS..THydrogen-bonded Turntrans-56-41.2-179.5-177.5170.7153.8-150.20113.4K246 E251 K337K246-K341 PolarHBondContact O-NZ 3.02Å; E251-K341 WeakPolarHBondContact OE1-CD 3.45Å; E251-K341 WeakPolarHBondContact OE1-CE 3.43Å; E251-K341 IonicContact OE1-NZ 3.4Å; E251-K341 PolarHBondContact OE1-NZ 3.33Å; E251-K341 IonicContact OE2-NZ 2.7Å; E251-K341 PolarHBondContact OE2-NZ 3.25Å; K337-K341 WeakPolarHBondContact O-CA 3.27Å; K337-K341 WeakPolarHBondContact O-CB 3.31Å; K337-K341 PolarHBondContact O-N 3.14Å
342D78.3Confident88.9Confident112 Ų11253.7 Ų53.760%0.59929%0.289SS*.THydrogen-bonded Turntrans-87.8-3.4-179.6-73.7-30.7000114.2F340F340-D342 VanDerWaalsContact C-N 3.29Å; F340-D342 PolarHBondContact O-N 3.17Å
343V85.5Confident89.1Confident31 Ų3154.1 Ų54.119%0.18829%0.29CS..SBendtrans-79.7152.9175.1-47.10000110.4F340 Q345 M416F340-V343 HydrophobicContact CB-CG1 4.4Å; F340-V343 HydrophobicContact CB-CG2 3.84Å; F340-V343 HydrophobicContact CD1-CB 4.28Å; F340-V343 HydrophobicContact CD1-CG1 3.61Å; F340-V343 HydrophobicContact CD1-CG2 3.77Å; F340-V343 HydrophobicContact CE1-CG1 4.42Å; F340-V343 HydrophobicContact CG-CG1 4.49Å; F340-V343 HydrophobicContact CG-CG2 4.27Å; F340-V343 WeakPolarHBondContact O-CG2 3.48Å; F340-V343 PolarHBondContact O-N 3.11Å; F340-V343 VanDerWaalsContact O-N 3.11Å; V343-Q345 PolarHBondContact O-N 2.94Å; V343-M416 HydrophobicContact CG2-CB 4.27Å
344P90.7Very high89.5Confident73 Ų7355.8 Ų55.847%0.47430%0.297SS..  trans-49.1115.3177.2-30.336000112.5Y414 F415 M416P344-Y414 WeakPolarHBondContact CD-O 3.2Å; P344-F415 HydrophobicContact CB-CD1 3.66Å; P344-F415 HydrophobicContact CB-CE1 3.91Å; P344-F415 HydrophobicContact CG-CD1 4.3Å; P344-F415 HydrophobicContact CG-CE1 4.22Å; P344-F415 WeakPolarHBondContact O-CA 3.28Å; P344-M416 PolarHBondContact O-N 2.97Å; P344-M416 VanDerWaalsContact O-N 3.1Å
345Q94.1Very high90Very high85 Ų8549.2 Ų49.240%0.39727%0.269SS..EExtended strand (participates in β ladder)trans-87.1122.1174.8-61.8-66.5-32.200108F340 V343 M416 N418F340-Q345 PolarHBondContact O-NE2 3.1Å; F340-Q345 VanDerWaalsContact O-NE2 3.07Å; V343-Q345 PolarHBondContact O-N 2.94Å; Q345-M416 PolarHBondContact NE2-SD 3.43Å; Q345-M416 VanDerWaalsContact NE2-SD 3.41Å; Q345-M416 PolarHBondContact OE1-SD 3.36Å; Q345-N418 PolarHBondContact OE1-ND2 3.31Å
346V95.1Very high90.4Very high24 Ų2448.8 Ų48.815%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-127.8156-178.6-62.20000109.4T362 F415 M416 V417 N418V346-T362 HydrophobicContact CB-CG2 4.34Å; V346-T362 WeakPolarHBondContact CG1-O 3.37Å; V346-T362 HydrophobicContact CG2-CG2 3.79Å; V346-F415 HydrophobicContact CG1-CD1 4.29Å; V346-F415 HydrophobicContact CG2-CB 4.42Å; V346-M416 PolarHBondContact N-O 2.92Å; V346-V417 HydrophobicContact CG2-CB 4.23Å; V346-V417 HydrophobicContact CG2-CG1 4.48Å; V346-V417 HydrophobicContact CG2-CG2 3.73Å; V346-V417 WeakPolarHBondContact O-CA 3.41Å; V346-N418 PolarHBondContact O-N 3.16Å; V346-N418 PolarHBondContact O-ND2 2.91Å
347T95.1Very high90.7Very high64 Ų6452.4 Ų52.439%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-111.2143.5-177.5-58.10000109.9N418 Q420T347-N418 CarbonylContact C-O 3.55Å; T347-N418 WeakPolarHBondContact CA-O 3.5Å; T347-Q420 HydrophobicContact CG2-CB 3.82Å; T347-Q420 HydrophobicContact CG2-CG 3.5Å; T347-Q420 VanDerWaalsContact CG2-CG 3.5Å; T347-Q420 VanDerWaalsContact CG2-OE1 3.31Å
348L95.2Very high91.1Very high0 Ų048.5 Ų48.50%027%0.267CS..EExtended strand (participates in β ladder)trans-134.6134177.6179.371.2000110T352 V358 E361 T362 L394 V417 N418 Y419 Q420L348-T352 HydrophobicContact CD1-CG2 3.8Å; L348-V358 HydrophobicContact CD1-CB 4.29Å; L348-V358 HydrophobicContact CD1-CG1 4.26Å; L348-V358 HydrophobicContact CD1-CG2 4.1Å; L348-V358 HydrophobicContact CD2-CB 4.38Å; L348-V358 HydrophobicContact CD2-CG1 3.91Å; L348-V358 HydrophobicContact CD2-CG2 3.83Å; L348-E361 HydrophobicContact CD1-CB 4.14Å; L348-E361 HydrophobicContact CD1-CG 4.28Å; L348-T362 HydrophobicContact CB-CG2 4.08Å; L348-T362 HydrophobicContact CD1-CG2 4.16Å; L348-L394 HydrophobicContact CD2-CD1 4.13Å; L348-V417 HydrophobicContact CB-CG1 3.42Å; L348-V417 VanDerWaalsContact CB-CG1 3.42Å; L348-V417 HydrophobicContact CD2-CG1 3.8Å; L348-V417 HydrophobicContact CG-CG1 4.23Å; L348-N418 PolarHBondContact N-O 3.26Å; L348-Y419 HydrophobicContact CD2-CD1 4.14Å; L348-Y419 HydrophobicContact CD2-CE1 3.6Å; L348-Y419 HydrophobicContact CG-CE1 4.48Å; L348-Y419 WeakPolarHBondContact O-CA 3.38Å; L348-Q420 PolarHBondContact O-N 2.99Å
349S92.2Very high91.7Very high40 Ų4046.5 Ų46.528%0.2826%0.256SS..  trans-61.7137.3171177.60000111.2D351 T352 E361S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.08Å; S349-D351 PolarHBondContact OG-N 3.3Å; S349-T352 PolarHBondContact O-N 3.41Å; S349-E361 VanDerWaalsContact CB-OE1 3.24Å; S349-E361 WeakPolarHBondContact CB-OE1 3.5Å; S349-E361 PolarHBondContact N-OE1 3.1Å
350N89.6Confident92.2Very high71 Ų7148.2 Ų48.238%0.3826%0.263SS..THydrogen-bonded Turntrans-57.9-19.4172.3-83.8-60.5000114.5K399 Q420N350-K399 PolarHBondContact OD1-NZ 3.16Å; N350-Q420 PolarHBondContact N-O 3.04Å; N350-Q420 PolarHBondContact ND2-O 2.86Å; N350-Q420 PolarHBondContact ND2-OXT 2.9Å
351D91.2Very high92.6Very high145 Ų14552.4 Ų52.478%0.77528%0.282SS*.THydrogen-bonded Turntrans-79.5-20.3178.1-65.7-31.6000112.9S349 T353S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.08Å; S349-D351 PolarHBondContact OG-N 3.3Å; D351-T353 PolarHBondContact O-N 2.9Å
352T91.9Very high93.2Very high28 Ų2848.4 Ų48.417%0.17227%0.266CS..  trans-91.1105.7-176.4-62.30000110.8L348 S349 E357 V358 E361L348-T352 HydrophobicContact CD1-CG2 3.8Å; S349-T352 PolarHBondContact O-N 3.41Å; T352-E357 HydrophobicContact CG2-CB 3.66Å; T352-V358 HydrophobicContact CG2-CG2 4.01Å; T352-E361 VanDerWaalsContact CB-OE2 3.27Å; T352-E361 WeakPolarHBondContact CB-OE2 3.39Å; T352-E361 WeakPolarHBondContact CG2-OE2 3.28Å; T352-E361 PolarHBondContact OG1-OE2 3.38Å
353T93.3Very high94Very high67 Ų6745.8 Ų45.841%0.41127%0.265SS..  trans-107.8-34.2-17857.50000113.8D351 I355 A393 L394D351-T353 PolarHBondContact O-N 2.9Å; T353-I355 PolarHBondContact O-N 3.25Å; T353-A393 CarbonylContact O-C 3.56Å; T353-A393 WeakPolarHBondContact O-CA 3.18Å; T353-L394 PolarHBondContact O-N 3.13Å
354N96.4Very high94.5Very high44 Ų4444.5 Ų44.524%0.23526%0.257CS..BIsolated β-bridgetrans-67.2128.9-175.8177.2-93.1000111.7V356 E357 V358 V390 Y392N354-V356 PolarHBondContact O-N 3.37Å; N354-V356 VanDerWaalsContact O-N 3.1Å; N354-V356 WeakPolarHBondContact OD1-CB 3.34Å; N354-V356 PolarHBondContact OD1-N 3.47Å; N354-E357 HydrophobicContact CB-CG 4.38Å; N354-E357 PolarHBondContact O-N 2.82Å; N354-E357 PolarHBondContact OD1-N 2.84Å; N354-V358 VanDerWaalsContact O-CG2 3.31Å; N354-V358 WeakPolarHBondContact O-CG2 3.48Å; N354-V358 PolarHBondContact O-N 2.76Å; N354-V390 PolarHBondContact ND2-O 2.82Å; N354-V390 VanDerWaalsContact ND2-O 3.09Å; N354-Y392 WeakPolarHBondContact CA-O 3.34Å
355I96.5Very high94.7Very high0 Ų041.1 Ų41.10%024%0.236CC..Hα-helixtrans-55-34.6-174.7-171.255.9000113.8T353 L359 V375 I380 I382 Y392 I407T353-I355 PolarHBondContact O-N 3.25Å; I355-L359 HydrophobicContact CD1-CG 4.32Å; I355-L359 HydrophobicContact CG1-CD1 4.25Å; I355-L359 WeakPolarHBondContact O-CD1 3.1Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.41Å; I355-L359 VanDerWaalsContact O-N 3.07Å; I355-V375 HydrophobicContact CG1-CG2 4.2Å; I355-V375 HydrophobicContact CG2-CG2 4.33Å; I355-I380 HydrophobicContact CD1-CG2 4.27Å; I355-I380 HydrophobicContact CG1-CG2 4.43Å; I355-I382 HydrophobicContact CD1-CD1 3.81Å; I355-I382 HydrophobicContact CD1-CG1 4.28Å; I355-I382 HydrophobicContact CG1-CD1 4.43Å; I355-Y392 PolarHBondContact N-O 3.47Å; I355-I407 HydrophobicContact CD1-CD1 4.47Å
356V96.6Very high94.6Very high4 Ų442.1 Ų42.12%0.02425%0.249CC..Hα-helixtrans-70.2-42.1178.71780000110.6N354 I360 K368 A371 R372 V390N354-V356 PolarHBondContact O-N 3.37Å; N354-V356 VanDerWaalsContact O-N 3.1Å; N354-V356 WeakPolarHBondContact OD1-CB 3.34Å; N354-V356 PolarHBondContact OD1-N 3.47Å; V356-I360 WeakPolarHBondContact O-CG1 3.37Å; V356-I360 PolarHBondContact O-N 2.66Å; V356-K368 HydrophobicContact CG1-CB 4.45Å; V356-A371 HydrophobicContact CG1-CB 4Å; V356-R372 HydrophobicContact CG1-CG 3.95Å; V356-R372 HydrophobicContact CG2-CG 3.75Å; V356-V390 HydrophobicContact CG2-CB 4.14Å; V356-V390 HydrophobicContact CG2-CG1 4.49Å
357E96.2Very high94.7Very high77 Ų7743.6 Ų43.636%0.3626%0.261SS..Hα-helixtrans-68.2-40.8176.5-60.9-61159.300111.1T352 N354 L359 I360 E361 K368T352-E357 HydrophobicContact CG2-CB 3.66Å; N354-E357 HydrophobicContact CB-CG 4.38Å; N354-E357 PolarHBondContact O-N 2.82Å; N354-E357 PolarHBondContact OD1-N 2.84Å; E357-L359 PolarHBondContact O-N 3.15Å; E357-I360 PolarHBondContact O-N 3.28Å; E357-E361 WeakPolarHBondContact O-CB 3.29Å; E357-E361 PolarHBondContact O-N 2.88Å; E357-K368 WeakPolarHBondContact OE1-CE 3.47Å; E357-K368 IonicContact OE1-NZ 2.64Å; E357-K368 PolarHBondContact OE1-NZ 3.45Å; E357-K368 WeakPolarHBondContact OE2-CE 3.17Å; E357-K368 IonicContact OE2-NZ 2.81Å; E357-K368 PolarHBondContact OE2-NZ 3.32Å
358V96.3Very high94.7Very high0 Ų045.4 Ų45.40%026%0.263CS..Hα-helixtrans-52.8-52.7174.3169.90000111L348 T352 N354 I360 E361 T362 L394 I407L348-V358 HydrophobicContact CD1-CB 4.29Å; L348-V358 HydrophobicContact CD1-CG1 4.26Å; L348-V358 HydrophobicContact CD1-CG2 4.1Å; L348-V358 HydrophobicContact CD2-CB 4.38Å; L348-V358 HydrophobicContact CD2-CG1 3.91Å; L348-V358 HydrophobicContact CD2-CG2 3.83Å; T352-V358 HydrophobicContact CG2-CG2 4.01Å; N354-V358 VanDerWaalsContact O-CG2 3.31Å; N354-V358 WeakPolarHBondContact O-CG2 3.48Å; N354-V358 PolarHBondContact O-N 2.76Å; V358-I360 PolarHBondContact O-N 3.47Å; V358-I360 VanDerWaalsContact O-N 3.14Å; V358-E361 PolarHBondContact O-N 3.21Å; V358-T362 HydrophobicContact CG1-CG2 4.4Å; V358-T362 WeakPolarHBondContact O-CB 3.28Å; V358-T362 VanDerWaalsContact O-CG2 3.32Å; V358-T362 WeakPolarHBondContact O-CG2 3.35Å; V358-T362 PolarHBondContact O-N 3.05Å; V358-T362 PolarHBondContact O-OG1 3Å; V358-L394 HydrophobicContact CB-CD1 4.39Å; V358-L394 HydrophobicContact CG1-CD1 4.06Å; V358-L394 HydrophobicContact CG2-CD1 3.58Å; V358-L394 HydrophobicContact CG2-CG 4.39Å; V358-I407 HydrophobicContact CG1-CD1 3.68Å
359L97.1Very high94.8Very high0 Ų054.5 Ų54.50%030%0.297CS..Hα-helixtrans-61.8-23.4-178.4-68.9169.4000113.5I355 E357 I364 S365 A371 V375 I380 I407I355-L359 HydrophobicContact CD1-CG 4.32Å; I355-L359 HydrophobicContact CG1-CD1 4.25Å; I355-L359 WeakPolarHBondContact O-CD1 3.1Å; I355-L359 WeakPolarHBondContact O-CG 3.4Å; I355-L359 PolarHBondContact O-N 3.41Å; I355-L359 VanDerWaalsContact O-N 3.07Å; E357-L359 PolarHBondContact O-N 3.15Å; L359-I364 HydrophobicContact CD2-CB 3.95Å; L359-I364 HydrophobicContact CD2-CD1 4.29Å; L359-I364 HydrophobicContact CD2-CG2 3.59Å; L359-I364 PolarHBondContact O-N 3.07Å; L359-S365 PolarHBondContact O-N 2.72Å; L359-A371 HydrophobicContact CB-CB 4.08Å; L359-A371 HydrophobicContact CD1-CB 4.06Å; L359-V375 HydrophobicContact CD1-CG2 3.83Å; L359-I380 HydrophobicContact CD1-CD1 3.94Å; L359-I380 HydrophobicContact CD1-CG1 3.9Å; L359-I380 HydrophobicContact CD2-CD1 3.92Å; L359-I380 HydrophobicContact CD2-CG2 4.47Å; L359-I407 HydrophobicContact CD2-CG2 3.96Å
360I96.1Very high94.9Very high48 Ų4855.4 Ų55.425%0.24630%0.297CS..Hα-helixtrans-89.9-48.1-179.6-62.6-63.2000111.2V356 E357 V358 T362 G363 S365 S367 K368 A371V356-I360 WeakPolarHBondContact O-CG1 3.37Å; V356-I360 PolarHBondContact O-N 2.66Å; E357-I360 PolarHBondContact O-N 3.28Å; V358-I360 PolarHBondContact O-N 3.47Å; V358-I360 VanDerWaalsContact O-N 3.14Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 2.96Å; I360-G363 PolarHBondContact O-N 3.41Å; I360-S365 WeakPolarHBondContact CD1-O 3.46Å; I360-S367 WeakPolarHBondContact CD1-O 3.43Å; I360-K368 HydrophobicContact CD1-CG 4.35Å; I360-K368 VanDerWaalsContact CD1-N 3.32Å; I360-K368 HydrophobicContact CG1-CG 3.93Å; I360-A371 HydrophobicContact CD1-CB 4.11Å; I360-A371 HydrophobicContact CG1-CB 4.37Å
361E95.1Very high95.2Very high91 Ų9152 Ų5243%0.42528%0.279SS..Hα-helixtrans-60-41179.1-170.9175.9142.100111.2L348 S349 T352 E357 V358 G363L348-E361 HydrophobicContact CD1-CB 4.14Å; L348-E361 HydrophobicContact CD1-CG 4.28Å; S349-E361 VanDerWaalsContact CB-OE1 3.24Å; S349-E361 WeakPolarHBondContact CB-OE1 3.5Å; S349-E361 PolarHBondContact N-OE1 3.1Å; T352-E361 VanDerWaalsContact CB-OE2 3.27Å; T352-E361 WeakPolarHBondContact CB-OE2 3.39Å; T352-E361 WeakPolarHBondContact CG2-OE2 3.28Å; T352-E361 PolarHBondContact OG1-OE2 3.38Å; E357-E361 WeakPolarHBondContact O-CB 3.29Å; E357-E361 PolarHBondContact O-N 2.88Å; V358-E361 PolarHBondContact O-N 3.21Å; E361-G363 VanDerWaalsContact C-N 3.27Å; E361-G363 PolarHBondContact O-N 3.38Å
362T95.4Very high95.6Very high12 Ų1252 Ų527%0.07427%0.268CS..THydrogen-bonded Turntrans-76.4-7.6175.557.50000114.6V346 L348 V358 I360 I364 V417V346-T362 HydrophobicContact CB-CG2 4.34Å; V346-T362 WeakPolarHBondContact CG1-O 3.37Å; V346-T362 HydrophobicContact CG2-CG2 3.79Å; L348-T362 HydrophobicContact CB-CG2 4.08Å; L348-T362 HydrophobicContact CD1-CG2 4.16Å; V358-T362 HydrophobicContact CG1-CG2 4.4Å; V358-T362 WeakPolarHBondContact O-CB 3.28Å; V358-T362 VanDerWaalsContact O-CG2 3.32Å; V358-T362 WeakPolarHBondContact O-CG2 3.35Å; V358-T362 PolarHBondContact O-N 3.05Å; V358-T362 PolarHBondContact O-OG1 3Å; I360-T362 VanDerWaalsContact C-N 3.27Å; I360-T362 PolarHBondContact O-N 2.96Å; T362-I364 PolarHBondContact O-N 3.09Å; T362-I364 WeakPolarHBondContact OG1-CD1 3.45Å; T362-I364 VanDerWaalsContact OG1-CG1 3.27Å; T362-I364 WeakPolarHBondContact OG1-CG1 3.42Å; T362-V417 HydrophobicContact CG2-CG1 3.82Å; T362-V417 HydrophobicContact CG2-CG2 4.18Å
363G94.5Very high95.8Very high57 Ų5754 Ų5459%0.58828%0.275SS*.SBendtrans69.98.6-17700000115.5I360 E361 S365I360-G363 PolarHBondContact O-N 3.41Å; E361-G363 VanDerWaalsContact C-N 3.27Å; E361-G363 PolarHBondContact O-N 3.38Å; G363-S365 PolarHBondContact O-N 2.89Å
364I95.7Very high95.9Very high4 Ų451.6 Ų51.62%0.02126%0.26CS..SBendtrans-61.6-35.1178-66.2175.4000111.3L359 T362 I407 R409 F415 V417L359-I364 HydrophobicContact CD2-CB 3.95Å; L359-I364 HydrophobicContact CD2-CD1 4.29Å; L359-I364 HydrophobicContact CD2-CG2 3.59Å; L359-I364 PolarHBondContact O-N 3.07Å; T362-I364 PolarHBondContact O-N 3.09Å; T362-I364 WeakPolarHBondContact OG1-CD1 3.45Å; T362-I364 VanDerWaalsContact OG1-CG1 3.27Å; T362-I364 WeakPolarHBondContact OG1-CG1 3.42Å; I364-I407 HydrophobicContact CD1-CB 3.9Å; I364-I407 HydrophobicContact CD1-CD1 4.15Å; I364-I407 HydrophobicContact CD1-CG2 3.86Å; I364-R409 HydrophobicContact CG2-CB 4.11Å; I364-R409 WeakPolarHBondContact O-CD 3.03Å; I364-R409 PolarHBondContact O-NH1 3.27Å; I364-F415 HydrophobicContact CB-CD2 4.44Å; I364-F415 HydrophobicContact CB-CE2 4.39Å; I364-F415 HydrophobicContact CD1-CB 3.7Å; I364-F415 HydrophobicContact CD1-CD1 4.32Å; I364-F415 HydrophobicContact CD1-CD2 3.98Å; I364-F415 HydrophobicContact CD1-CG 3.76Å; I364-F415 HydrophobicContact CG1-CB 4.07Å; I364-F415 HydrophobicContact CG1-CD1 3.71Å; I364-F415 HydrophobicContact CG1-CD2 3.81Å; I364-F415 HydrophobicContact CG1-CE1 4.06Å; I364-F415 HydrophobicContact CG1-CE2 4.16Å; I364-F415 HydrophobicContact CG1-CG 3.59Å; I364-F415 HydrophobicContact CG1-CZ 4.27Å; I364-F415 HydrophobicContact CG2-CD2 3.93Å; I364-F415 HydrophobicContact CG2-CE2 3.77Å; I364-F415 HydrophobicContact CG2-CZ 4.27Å; I364-V417 HydrophobicContact CD1-CG2 4.14Å
365S94.8Very high96Very high3 Ų349.5 Ų49.52%0.02125%0.249CC..SBendtrans-119.8140.2175.5-162.90000111.1L359 I360 G363 S367 A371L359-S365 PolarHBondContact O-N 2.72Å; I360-S365 WeakPolarHBondContact CD1-O 3.46Å; G363-S365 PolarHBondContact O-N 2.89Å; S365-S367 PolarHBondContact O-N 3.05Å; S365-A371 WeakPolarHBondContact OG-CA 3.36Å; S365-A371 PolarHBondContact OG-N 3.2Å; S365-A371 VanDerWaalsContact OG-N 3.09Å
366P93.1Very high96Very high106 Ų10653.6 Ų53.669%0.68827%0.271SS*.SBendtrans-77.2-16.9-173.830.3-37.2000114.4Q370P366-Q370 HydrophobicContact CG-CB 4.24Å; P366-Q370 HydrophobicContact CG-CG 4.2Å
367S95.6Very high95.9Very high55 Ų5559.3 Ų59.339%0.38530%0.301SS..SBendtrans-159.7153-17971.80000112.1I360 S365 R369 Q370 A371I360-S367 WeakPolarHBondContact CD1-O 3.43Å; S365-S367 PolarHBondContact O-N 3.05Å; S367-R369 PolarHBondContact O-N 3.12Å; S367-R369 VanDerWaalsContact O-N 3.17Å; S367-Q370 PolarHBondContact O-N 2.99Å; S367-Q370 PolarHBondContact OG-N 2.87Å; S367-A371 PolarHBondContact O-N 3.37Å
368K95.8Very high95.9Very high101 Ų10155.9 Ų55.944%0.43929%0.286SS..Hα-helixtrans-55.4-35.8-179.8-72.7-173.1-178.6-159.10112.6V356 E357 I360 R372V356-K368 HydrophobicContact CG1-CB 4.45Å; E357-K368 WeakPolarHBondContact OE1-CE 3.47Å; E357-K368 IonicContact OE1-NZ 2.64Å; E357-K368 PolarHBondContact OE1-NZ 3.45Å; E357-K368 WeakPolarHBondContact OE2-CE 3.17Å; E357-K368 IonicContact OE2-NZ 2.81Å; E357-K368 PolarHBondContact OE2-NZ 3.32Å; I360-K368 HydrophobicContact CD1-CG 4.35Å; I360-K368 VanDerWaalsContact CD1-N 3.32Å; I360-K368 HydrophobicContact CG1-CG 3.93Å; K368-R372 WeakPolarHBondContact O-CG 3.43Å; K368-R372 PolarHBondContact O-N 3.13Å; K368-R372 VanDerWaalsContact O-N 3.09Å
369R96.5Very high95.8Very high191 Ų19157 Ų5772%0.72130%0.296SS*.Hα-helixtrans-62.3-50.3175.2179.9179.8171174.20111S367 A371 R372 E373S367-R369 PolarHBondContact O-N 3.12Å; S367-R369 VanDerWaalsContact O-N 3.17Å; R369-A371 PolarHBondContact O-N 3.12Å; R369-R372 PolarHBondContact O-N 3.01Å; R369-E373 WeakPolarHBondContact CG-OE1 3.2Å; R369-E373 IonicContact CZ-OE1 2.95Å; R369-E373 IonicContact NE-OE1 2.63Å; R369-E373 PolarHBondContact NE-OE1 3.36Å; R369-E373 IonicContact NH2-OE1 3.75Å; R369-E373 WeakPolarHBondContact O-CG 2.99Å; R369-E373 PolarHBondContact O-N 3.49Å
370Q95.4Very high95.8Very high60 Ų6057 Ų5728%0.2830%0.296SS..Hα-helixtrans-64.7-40.3179.4-171.163.859.400111.9P366 S367 R372 E373 D374P366-Q370 HydrophobicContact CG-CB 4.24Å; P366-Q370 HydrophobicContact CG-CG 4.2Å; S367-Q370 PolarHBondContact O-N 2.99Å; S367-Q370 PolarHBondContact OG-N 2.87Å; Q370-R372 VanDerWaalsContact C-N 3.35Å; Q370-R372 PolarHBondContact O-N 3.16Å; Q370-E373 PolarHBondContact O-N 3.19Å; Q370-D374 PolarHBondContact NE2-OD1 3.35Å; Q370-D374 WeakPolarHBondContact O-CB 3.36Å; Q370-D374 PolarHBondContact O-N 3.07Å
371A96.8Very high95.7Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-58.5-45.8176.200000111.6V356 L359 I360 S365 S367 R369 D374 V375V356-A371 HydrophobicContact CG1-CB 4Å; L359-A371 HydrophobicContact CB-CB 4.08Å; L359-A371 HydrophobicContact CD1-CB 4.06Å; I360-A371 HydrophobicContact CD1-CB 4.11Å; I360-A371 HydrophobicContact CG1-CB 4.37Å; S365-A371 WeakPolarHBondContact OG-CA 3.36Å; S365-A371 PolarHBondContact OG-N 3.2Å; S365-A371 VanDerWaalsContact OG-N 3.09Å; S367-A371 PolarHBondContact O-N 3.37Å; R369-A371 PolarHBondContact O-N 3.12Å; A371-D374 PolarHBondContact O-N 3.09Å; A371-V375 WeakPolarHBondContact O-CG2 3.33Å; A371-V375 PolarHBondContact O-N 3.49Å
372R97.5Very high95.7Very high145 Ų14552.5 Ų52.555%0.54727%0.273SS..Hα-helixtrans-62.8-43.3175.3-73.4176.4175.4-166-1.8112.6V356 K368 R369 Q370 N376 V390V356-R372 HydrophobicContact CG1-CG 3.95Å; V356-R372 HydrophobicContact CG2-CG 3.75Å; K368-R372 WeakPolarHBondContact O-CG 3.43Å; K368-R372 PolarHBondContact O-N 3.13Å; K368-R372 VanDerWaalsContact O-N 3.09Å; R369-R372 PolarHBondContact O-N 3.01Å; Q370-R372 VanDerWaalsContact C-N 3.35Å; Q370-R372 PolarHBondContact O-N 3.16Å; R372-N376 WeakPolarHBondContact O-CB 3.37Å; R372-N376 VanDerWaalsContact O-CG 3.28Å; R372-N376 PolarHBondContact O-N 3.26Å; R372-N376 PolarHBondContact O-ND2 2.91Å; R372-V390 HydrophobicContact CB-CG1 4.26Å; R372-V390 HydrophobicContact CG-CG1 4.22Å
373E96.6Very high95.6Very high68 Ų6852.6 Ų52.632%0.31827%0.273SS..Hα-helixtrans-61.7-44.1176.1-73.1174.9-166.600111.3R369 Q370 N376 N377R369-E373 WeakPolarHBondContact CG-OE1 3.2Å; R369-E373 IonicContact CZ-OE1 2.95Å; R369-E373 IonicContact NE-OE1 2.63Å; R369-E373 PolarHBondContact NE-OE1 3.36Å; R369-E373 IonicContact NH2-OE1 3.75Å; R369-E373 WeakPolarHBondContact O-CG 2.99Å; R369-E373 PolarHBondContact O-N 3.49Å; Q370-E373 PolarHBondContact O-N 3.19Å; E373-N376 PolarHBondContact O-N 3.14Å; E373-N377 VanDerWaalsContact O-CB 3.26Å; E373-N377 WeakPolarHBondContact O-CB 3.25Å; E373-N377 PolarHBondContact O-N 2.96Å; E373-N377 PolarHBondContact O-ND2 2.69Å; E373-N377 VanDerWaalsContact O-ND2 3.08Å
374D96.3Very high95.4Very high17 Ų1751 Ų519%0.09126%0.256CS..Hα-helixtrans-64.4-41.9179.3-68.5-16.9000112.1Q370 A371 G378 A379 I380 R409Q370-D374 PolarHBondContact NE2-OD1 3.35Å; Q370-D374 WeakPolarHBondContact O-CB 3.36Å; Q370-D374 PolarHBondContact O-N 3.07Å; A371-D374 PolarHBondContact O-N 3.09Å; D374-G378 PolarHBondContact O-N 2.94Å; D374-A379 HydrophobicContact CB-CB 4.3Å; D374-A379 WeakPolarHBondContact O-CA 3.47Å; D374-A379 VanDerWaalsContact O-CB 3.3Å; D374-A379 WeakPolarHBondContact O-CB 3.42Å; D374-A379 PolarHBondContact O-N 3.15Å; D374-I380 HydrophobicContact CB-CD1 3.96Å; D374-I380 HydrophobicContact CB-CG1 4Å; D374-R409 IonicContact OD1-NH2 2.65Å; D374-R409 IonicContact OD2-CZ 3.86Å; D374-R409 IonicContact OD2-NE 3.64Å; D374-R409 PolarHBondContact OD2-NE 2.72Å; D374-R409 IonicContact OD2-NH2 3.06Å; D374-R409 PolarHBondContact OD2-NH2 3.38Å
375V97.4Very high95.2Very high0 Ų055.9 Ų55.90%028%0.279CS..Hα-helixtrans-63.5-54.8174.81730000110.3I355 L359 A371 N377 G378 I380 Q388 V390I355-V375 HydrophobicContact CG1-CG2 4.2Å; I355-V375 HydrophobicContact CG2-CG2 4.33Å; L359-V375 HydrophobicContact CD1-CG2 3.83Å; A371-V375 WeakPolarHBondContact O-CG2 3.33Å; A371-V375 PolarHBondContact O-N 3.49Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.02Å; V375-G378 WeakPolarHBondContact O-CA 3.31Å; V375-G378 PolarHBondContact O-N 3.24Å; V375-I380 HydrophobicContact CB-CG1 4.47Å; V375-I380 HydrophobicContact CG2-CB 4.17Å; V375-I380 HydrophobicContact CG2-CG1 3.71Å; V375-Q388 WeakPolarHBondContact O-CA 3.46Å; V375-V390 HydrophobicContact CB-CG1 4.1Å; V375-V390 HydrophobicContact CG1-CG1 3.92Å
376N96.7Very high95.2Very high87 Ų8762.5 Ų62.547%0.46530%0.303SS..Hα-helixtrans-56.6-41.5-177.9-76.2-29.7000112.6R372 E373 G378 Q388 V390R372-N376 WeakPolarHBondContact O-CB 3.37Å; R372-N376 VanDerWaalsContact O-CG 3.28Å; R372-N376 PolarHBondContact O-N 3.26Å; R372-N376 PolarHBondContact O-ND2 2.91Å; E373-N376 PolarHBondContact O-N 3.14Å; N376-G378 PolarHBondContact O-N 3.14Å; N376-Q388 PolarHBondContact O-NE2 2.88Å; N376-Q388 VanDerWaalsContact O-NE2 3.15Å; N376-V390 WeakPolarHBondContact OD1-CG1 3.21Å
377N95.5Very high95.3Very high124 Ų12459 Ų5966%0.66328%0.278SS*.THydrogen-bonded Turntrans-73-2.3178.8-67.4-25.8000113.4E373 V375 A379E373-N377 VanDerWaalsContact O-CB 3.26Å; E373-N377 WeakPolarHBondContact O-CB 3.25Å; E373-N377 PolarHBondContact O-N 2.96Å; E373-N377 PolarHBondContact O-ND2 2.69Å; E373-N377 VanDerWaalsContact O-ND2 3.08Å; V375-N377 VanDerWaalsContact C-N 3.28Å; V375-N377 PolarHBondContact O-N 3.02Å; N377-A379 VanDerWaalsContact C-N 3.32Å
378G94.8Very high95.4Very high4 Ų461.3 Ų61.34%0.04128%0.283CS..THydrogen-bonded Turntrans70.228.8-178.700000113.4D374 V375 N376D374-G378 PolarHBondContact O-N 2.94Å; V375-G378 WeakPolarHBondContact O-CA 3.31Å; V375-G378 PolarHBondContact O-N 3.24Å; N376-G378 PolarHBondContact O-N 3.14Å
379A95.5Very high95.4Very high25 Ų2560.2 Ų60.221%0.20728%0.281CS..  trans-87.3-8.6176.800000112.8D374 N377 R409 G410D374-A379 HydrophobicContact CB-CB 4.3Å; D374-A379 WeakPolarHBondContact O-CA 3.47Å; D374-A379 VanDerWaalsContact O-CB 3.3Å; D374-A379 WeakPolarHBondContact O-CB 3.42Å; D374-A379 PolarHBondContact O-N 3.15Å; N377-A379 VanDerWaalsContact C-N 3.32Å; A379-R409 CarbonylContact O-C 3.46Å; A379-R409 WeakPolarHBondContact O-CA 3.12Å; A379-G410 PolarHBondContact O-N 3.35Å
380I96.9Very high95.4Very high0 Ų052.6 Ų52.60%026%0.256CS..EExtended strand (participates in β ladder)trans-101.2133.8178.4-58-58.1000110.1I355 L359 D374 V375 Q387 I407 R408 R409I355-I380 HydrophobicContact CD1-CG2 4.27Å; I355-I380 HydrophobicContact CG1-CG2 4.43Å; L359-I380 HydrophobicContact CD1-CD1 3.94Å; L359-I380 HydrophobicContact CD1-CG1 3.9Å; L359-I380 HydrophobicContact CD2-CD1 3.92Å; L359-I380 HydrophobicContact CD2-CG2 4.47Å; D374-I380 HydrophobicContact CB-CD1 3.96Å; D374-I380 HydrophobicContact CB-CG1 4Å; V375-I380 HydrophobicContact CB-CG1 4.47Å; V375-I380 HydrophobicContact CG2-CB 4.17Å; V375-I380 HydrophobicContact CG2-CG1 3.71Å; I380-Q387 PolarHBondContact O-N 3Å; I380-I407 HydrophobicContact CG2-CG2 4.35Å; I380-R408 WeakPolarHBondContact CA-O 3.15Å; I380-R409 HydrophobicContact CD1-CB 4.16Å; I380-R409 HydrophobicContact CD1-CG 3.99Å
381Y95Very high95.4Very high37 Ų3755.5 Ų55.515%0.14527%0.274CS..EExtended strand (participates in β ladder)trans-127.7139.5172.8-58.5-110.3000110G384 E385 R386 I407 R408Y381-G384 WeakPolarHBondContact CD1-O 3.37Å; Y381-E385 CarbonylContact C-O 3.5Å; Y381-E385 WeakPolarHBondContact CA-O 3.45Å; Y381-E385 WeakPolarHBondContact CB-O 3.45Å; Y381-R386 HydrophobicContact CD1-CB 3.86Å; Y381-R386 HydrophobicContact CD1-CG 4.49Å; Y381-R386 HydrophobicContact CE1-CB 3.67Å; Y381-R386 HydrophobicContact CE1-CG 4.13Å; Y381-R386 PolarHBondContact OH-NE 2.99Å; Y381-R386 PolarHBondContact OH-NH2 3.47Å; Y381-R386 VanDerWaalsContact OH-NH2 3.1Å; Y381-I407 WeakPolarHBondContact O-CA 3.25Å; Y381-R408 VanDerWaalsContact CD1-NH2 3.26Å; Y381-R408 PolarHBondContact N-O 3.16Å; Y381-R408 PolarHBondContact O-N 3.49Å
382I94.7Very high95.4Very high7 Ų758.4 Ų58.44%0.03629%0.285CS..EExtended strand (participates in β ladder)trans-117.2117.7177.6-56.9171.7000106.5I355 G384 E385 Q387 Y392 L394 D398 T405I355-I382 HydrophobicContact CD1-CD1 3.81Å; I355-I382 HydrophobicContact CD1-CG1 4.28Å; I355-I382 HydrophobicContact CG1-CD1 4.43Å; I382-G384 PolarHBondContact O-N 2.86Å; I382-G384 VanDerWaalsContact O-N 3.1Å; I382-E385 PolarHBondContact N-O 3.36Å; I382-E385 WeakPolarHBondContact O-CB 3.36Å; I382-E385 PolarHBondContact O-N 3.49Å; I382-Q387 HydrophobicContact CD1-CB 4Å; I382-Q387 HydrophobicContact CD1-CG 4.07Å; I382-Q387 HydrophobicContact CG1-CB 4.34Å; I382-Y392 HydrophobicContact CD1-CD1 3.69Å; I382-Y392 HydrophobicContact CD1-CE1 3.54Å; I382-L394 HydrophobicContact CD1-CD2 3.97Å; I382-L394 HydrophobicContact CG2-CD2 3.98Å; I382-D398 HydrophobicContact CG2-CB 4.31Å; I382-T405 HydrophobicContact CG2-CG2 3.69Å
383N92.4Very high95.3Very high14 Ų1453.8 Ų53.88%0.07528%0.278CS..THydrogen-bonded Turntrans49.938.5-178.1-57.9-26.3000113.3E385 D398 I406N383-E385 VanDerWaalsContact C-N 3.34Å; N383-E385 PolarHBondContact O-N 3.46Å; N383-D398 PolarHBondContact ND2-O 3.42Å; N383-I406 PolarHBondContact N-O 2.97Å; N383-I406 PolarHBondContact OD1-N 3.16Å
384G90.3Very high95.2Very high23 Ų2351.1 Ų51.124%0.23727%0.266CS..THydrogen-bonded Turntrans89.9-16.8-179.100000115.2G326 Y381 I382G326-G384 WeakPolarHBondContact O-CA 3.44Å; Y381-G384 WeakPolarHBondContact CD1-O 3.37Å; I382-G384 PolarHBondContact O-N 2.86Å; I382-G384 VanDerWaalsContact O-N 3.1Å
385E91.9Very high95Very high107 Ų10751.8 Ų51.850%0.527%0.274SS..EExtended strand (participates in β ladder)trans-89.7132.7-177.8-62.5-64.6170.900111.8K329 Y381 I382 N383 Q387K329-E385 WeakPolarHBondContact CE-OE1 3.45Å; K329-E385 VanDerWaalsContact NZ-CG 3.3Å; K329-E385 IonicContact NZ-OE1 2.72Å; K329-E385 PolarHBondContact NZ-OE1 3.49Å; Y381-E385 CarbonylContact C-O 3.5Å; Y381-E385 WeakPolarHBondContact CA-O 3.45Å; Y381-E385 WeakPolarHBondContact CB-O 3.45Å; I382-E385 PolarHBondContact N-O 3.36Å; I382-E385 WeakPolarHBondContact O-CB 3.36Å; I382-E385 PolarHBondContact O-N 3.49Å; N383-E385 VanDerWaalsContact C-N 3.34Å; N383-E385 PolarHBondContact O-N 3.46Å; E385-Q387 PolarHBondContact O-N 3.04Å
386R94.5Very high94.7Very high141 Ų14156.4 Ų56.453%0.53230%0.304SS..EExtended strand (participates in β ladder)trans-71.1128.1179.9-172.4-175.1-66.8-147.73.9110.3Y381 Q388Y381-R386 HydrophobicContact CD1-CB 3.86Å; Y381-R386 HydrophobicContact CD1-CG 4.49Å; Y381-R386 HydrophobicContact CE1-CB 3.67Å; Y381-R386 HydrophobicContact CE1-CG 4.13Å; Y381-R386 PolarHBondContact OH-NE 2.99Å; Y381-R386 PolarHBondContact OH-NH2 3.47Å; Y381-R386 VanDerWaalsContact OH-NH2 3.1Å; R386-Q388 HydrophobicContact CG-CG 4.31Å
387Q95.8Very high94.4Very high32 Ų3259.6 Ų59.615%0.1532%0.316CS..EExtended strand (participates in β ladder)trans-109.6129.7174.7-17551-94.300111.1I380 I382 E385 Y392I380-Q387 PolarHBondContact O-N 3Å; I382-Q387 HydrophobicContact CD1-CB 4Å; I382-Q387 HydrophobicContact CD1-CG 4.07Å; I382-Q387 HydrophobicContact CG1-CB 4.34Å; E385-Q387 PolarHBondContact O-N 3.04Å; Q387-Y392 HydrophobicContact CG-CD1 4.21Å; Q387-Y392 HydrophobicContact CG-CG 4.04Å
388Q96.6Very high94.3Very high105 Ų10554.7 Ų54.749%0.49129%0.29SS..  trans-126.1-6.3-180-65.8-170-9500114.5V375 N376 R386V375-Q388 WeakPolarHBondContact O-CA 3.46Å; N376-Q388 PolarHBondContact O-NE2 2.88Å; N376-Q388 VanDerWaalsContact O-NE2 3.15Å; R386-Q388 HydrophobicContact CG-CG 4.31Å
389D96.8Very high94.2Very high77 Ų7756.9 Ų56.941%0.41230%0.298SS..  trans-90114.9174.9-174.44.5000110.8N391 Y392D389-N391 PolarHBondContact O-N 2.78Å; D389-N391 WeakPolarHBondContact OD1-CB 3.04Å; D389-N391 PolarHBondContact OD1-N 2.82Å; D389-N391 PolarHBondContact OD1-ND2 2.94Å; D389-Y392 VanDerWaalsContact O-CB 3.24Å; D389-Y392 WeakPolarHBondContact O-CB 3.22Å; D389-Y392 PolarHBondContact O-N 2.94Å; D389-Y392 VanDerWaalsContact O-N 3.07Å
390V95.8Very high94Very high32 Ų3257.1 Ų57.119%0.19430%0.295CS..THydrogen-bonded Turntrans-65.4-16.6175.2-66.30000113.3N354 V356 R372 V375 N376N354-V390 PolarHBondContact ND2-O 2.82Å; N354-V390 VanDerWaalsContact ND2-O 3.09Å; V356-V390 HydrophobicContact CG2-CB 4.14Å; V356-V390 HydrophobicContact CG2-CG1 4.49Å; R372-V390 HydrophobicContact CB-CG1 4.26Å; R372-V390 HydrophobicContact CG-CG1 4.22Å; V375-V390 HydrophobicContact CB-CG1 4.1Å; V375-V390 HydrophobicContact CG1-CG1 3.92Å; N376-V390 WeakPolarHBondContact OD1-CG1 3.21Å
391N95.6Very high93.6Very high120 Ų12063.3 Ų63.364%0.64233%0.329SS*.THydrogen-bonded Turntrans-94.30.2175.8-54.4-59.8000112.8D389 A393D389-N391 PolarHBondContact O-N 2.78Å; D389-N391 WeakPolarHBondContact OD1-CB 3.04Å; D389-N391 PolarHBondContact OD1-N 2.82Å; D389-N391 PolarHBondContact OD1-ND2 2.94Å; N391-A393 PolarHBondContact O-N 3.15Å
392Y96.8Very high93.2Very high61 Ų6163.8 Ų63.824%0.23935%0.345CS..  trans-55.4129.5177.4-172.9-101.5000110.7N354 I355 I382 Q387 D389 L394 D398N354-Y392 WeakPolarHBondContact CA-O 3.34Å; I355-Y392 PolarHBondContact N-O 3.47Å; I382-Y392 HydrophobicContact CD1-CD1 3.69Å; I382-Y392 HydrophobicContact CD1-CE1 3.54Å; Q387-Y392 HydrophobicContact CG-CD1 4.21Å; Q387-Y392 HydrophobicContact CG-CG 4.04Å; D389-Y392 VanDerWaalsContact O-CB 3.24Å; D389-Y392 WeakPolarHBondContact O-CB 3.22Å; D389-Y392 PolarHBondContact O-N 2.94Å; D389-Y392 VanDerWaalsContact O-N 3.07Å; Y392-L394 HydrophobicContact CE1-CD2 4.18Å; Y392-D398 WeakPolarHBondContact CE1-OD2 3.4Å; Y392-D398 VanDerWaalsContact OH-CG 3.27Å; Y392-D398 PolarHBondContact OH-OD1 2.85Å; Y392-D398 VanDerWaalsContact OH-OD1 3.13Å; Y392-D398 PolarHBondContact OH-OD2 3.45Å
393A96.1Very high93Very high49 Ų4968.4 Ų68.441%0.40537%0.366SS..BIsolated β-bridgetrans-107.9125.5173.700000108T353 N391 A395T353-A393 CarbonylContact O-C 3.56Å; T353-A393 WeakPolarHBondContact O-CA 3.18Å; N391-A393 PolarHBondContact O-N 3.15Å; A393-A395 PolarHBondContact O-N 3.02Å
394L93.9Very high93.1Very high12 Ų1267.8 Ų67.86%0.06336%0.363CS..  trans-56121.3173.6-73.7172.5000109.2L348 T353 V358 I382 Y392 D398 T405L348-L394 HydrophobicContact CD2-CD1 4.13Å; T353-L394 PolarHBondContact O-N 3.13Å; V358-L394 HydrophobicContact CB-CD1 4.39Å; V358-L394 HydrophobicContact CG1-CD1 4.06Å; V358-L394 HydrophobicContact CG2-CD1 3.58Å; V358-L394 HydrophobicContact CG2-CG 4.39Å; I382-L394 HydrophobicContact CD1-CD2 3.97Å; I382-L394 HydrophobicContact CG2-CD2 3.98Å; Y392-L394 HydrophobicContact CE1-CD2 4.18Å; L394-D398 WeakPolarHBondContact CA-OD2 3.26Å; L394-D398 HydrophobicContact CD2-CB 3.76Å; L394-T405 HydrophobicContact CD2-CG2 4.42Å
395A92.4Very high93.3Very high30 Ų3066.7 Ų66.725%0.24835%0.351CS..  trans-92.1163.3178.500000110.2A393 E397 D398A393-A395 PolarHBondContact O-N 3.02Å; A395-E397 WeakPolarHBondContact CB-OE2 3.43Å; A395-E397 PolarHBondContact O-N 3.24Å; A395-E397 VanDerWaalsContact O-N 3.11Å; A395-D398 PolarHBondContact N-OD2 3.11Å; A395-D398 WeakPolarHBondContact O-CB 3.26Å; A395-D398 PolarHBondContact O-N 3.3Å
396P90.5Very high93.4Very high97 Ų9761.6 Ų61.663%0.6333%0.328SS*.G310 helixtrans-51.8-32.1173.7-27.736.6000113.5D398 K399P396-D398 VanDerWaalsContact C-N 3.26Å; P396-D398 PolarHBondContact O-N 2.99Å; P396-K399 WeakPolarHBondContact O-CB 3.2Å; P396-K399 PolarHBondContact O-N 3.48Å; P396-K399 VanDerWaalsContact O-N 3.08Å
397E91.4Very high93.5Very high155 Ų15554.9 Ų54.972%0.72430%0.302SS*.G310 helixtrans-70.6-18.8178.8-58.174.3-160.600113.5A395A395-E397 WeakPolarHBondContact CB-OE2 3.43Å; A395-E397 PolarHBondContact O-N 3.24Å; A395-E397 VanDerWaalsContact O-N 3.11Å
398D92.6Very high93.4Very high21 Ų2155.2 Ų55.211%0.11230%0.302CS..G310 helixtrans-77.2-16.1172.1-65.7-49.8000111.9I382 N383 Y392 L394 A395 P396 I400 T405I382-D398 HydrophobicContact CG2-CB 4.31Å; N383-D398 PolarHBondContact ND2-O 3.42Å; Y392-D398 WeakPolarHBondContact CE1-OD2 3.4Å; Y392-D398 VanDerWaalsContact OH-CG 3.27Å; Y392-D398 PolarHBondContact OH-OD1 2.85Å; Y392-D398 VanDerWaalsContact OH-OD1 3.13Å; Y392-D398 PolarHBondContact OH-OD2 3.45Å; L394-D398 WeakPolarHBondContact CA-OD2 3.26Å; L394-D398 HydrophobicContact CD2-CB 3.76Å; A395-D398 PolarHBondContact N-OD2 3.11Å; A395-D398 WeakPolarHBondContact O-CB 3.26Å; A395-D398 PolarHBondContact O-N 3.3Å; P396-D398 VanDerWaalsContact C-N 3.26Å; P396-D398 PolarHBondContact O-N 2.99Å; D398-I400 PolarHBondContact O-N 3.07Å; D398-T405 PolarHBondContact O-OG1 2.65Å
399K92.6Very high93.3Very high49 Ų4952.6 Ų52.621%0.21329%0.288CS..SBendtrans-88.5104.5177.5-49.2-167.2180-176.10109.6N350 P396 D401 G402 F404 Y419N350-K399 PolarHBondContact OD1-NZ 3.16Å; P396-K399 WeakPolarHBondContact O-CB 3.2Å; P396-K399 PolarHBondContact O-N 3.48Å; P396-K399 VanDerWaalsContact O-N 3.08Å; K399-D401 PolarHBondContact O-N 3.39Å; K399-G402 PolarHBondContact O-N 3.07Å; K399-F404 CarbonylContact C-O 3.47Å; K399-Y419 HydrophobicContact CB-CE2 4.03Å; K399-Y419 HydrophobicContact CD-CD1 4.22Å; K399-Y419 HydrophobicContact CD-CD2 3.92Å; K399-Y419 HydrophobicContact CD-CE1 4.07Å; K399-Y419 HydrophobicContact CD-CE2 3.8Å; K399-Y419 HydrophobicContact CD-CG 4.15Å; K399-Y419 VanDerWaalsContact CE-CE1 3.47Å; K399-Y419 HydrophobicContact CG-CD2 4.16Å; K399-Y419 HydrophobicContact CG-CE1 4.3Å; K399-Y419 HydrophobicContact CG-CE2 3.56Å
400I90.5Very high93Very high30 Ų3050.3 Ų50.315%0.15428%0.283CS..BIsolated β-bridgetrans-66.7119.3176.6-55.6-176.1000108.1A333 L336 D398 G402 E403 F404A333-I400 HydrophobicContact CB-CG2 3.78Å; L336-I400 HydrophobicContact CD1-CD1 3.35Å; L336-I400 HydrophobicContact CD1-CG2 4.07Å; D398-I400 PolarHBondContact O-N 3.07Å; I400-G402 PolarHBondContact O-N 3.31Å; I400-E403 PolarHBondContact O-N 3.08Å; I400-F404 HydrophobicContact CB-CD2 4.39Å; I400-F404 HydrophobicContact CB-CE1 4.3Å; I400-F404 HydrophobicContact CB-CE2 4.01Å; I400-F404 HydrophobicContact CB-CZ 3.97Å; I400-F404 HydrophobicContact CD1-CE2 4.08Å; I400-F404 HydrophobicContact CG2-CE1 4.17Å; I400-F404 HydrophobicContact CG2-CE2 4.16Å; I400-F404 HydrophobicContact CG2-CZ 3.71Å; I400-F404 PolarHBondContact N-O 2.88Å; I400-F404 PolarHBondContact O-N 2.99Å
401D88.7Confident92.4Very high131 Ų13157.9 Ų57.970%0.70131%0.313SS*.THydrogen-bonded Turntrans49.723-168.9-72.4-1.8000114.5A333 K399 E403A333-D401 HydrophobicContact CB-CB 4.08Å; A333-D401 WeakPolarHBondContact CB-OD2 3.31Å; K399-D401 PolarHBondContact O-N 3.39Å; D401-E403 PolarHBondContact O-N 3.24Å
402G87.8Confident91.8Very high47 Ų4761 Ų6149%0.48532%0.321SS..THydrogen-bonded Turntrans72.91.5-175.400000115K399 I400K399-G402 PolarHBondContact O-N 3.07Å; I400-G402 PolarHBondContact O-N 3.31Å
403E90.3Very high91.5Very high104 Ų10464.4 Ų64.449%0.48634%0.337SS..THydrogen-bonded Turntrans-105.7-37.4-169.1-70.2-173.117800114K337 I400 D401 Y419K337-E403 WeakPolarHBondContact CE-OE2 3.24Å; K337-E403 IonicContact NZ-OE2 2.8Å; K337-E403 PolarHBondContact NZ-OE2 2.9Å; I400-E403 PolarHBondContact O-N 3.08Å; D401-E403 PolarHBondContact O-N 3.24Å; E403-Y419 WeakPolarHBondContact O-CD2 3.23Å; E403-Y419 PolarHBondContact O-N 3.05Å; E403-Y419 VanDerWaalsContact O-N 3.15Å
404F94.1Very high91.3Very high0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-152.2165.3-175.366.7-85.2000114A333 L336 K337 K399 I400 I406 M416 V417A333-F404 HydrophobicContact CB-CE1 4.13Å; A333-F404 HydrophobicContact CB-CZ 4.2Å; L336-F404 HydrophobicContact CB-CE2 3.92Å; L336-F404 HydrophobicContact CB-CZ 3.94Å; L336-F404 HydrophobicContact CD1-CE2 4.35Å; L336-F404 HydrophobicContact CD1-CZ 4.48Å; K337-F404 HydrophobicContact CD-CE1 4.29Å; K337-F404 HydrophobicContact CG-CE1 3.94Å; K337-F404 HydrophobicContact CG-CZ 4.11Å; K399-F404 CarbonylContact C-O 3.47Å; I400-F404 HydrophobicContact CB-CD2 4.39Å; I400-F404 HydrophobicContact CB-CE1 4.3Å; I400-F404 HydrophobicContact CB-CE2 4.01Å; I400-F404 HydrophobicContact CB-CZ 3.97Å; I400-F404 HydrophobicContact CD1-CE2 4.08Å; I400-F404 HydrophobicContact CG2-CE1 4.17Å; I400-F404 HydrophobicContact CG2-CE2 4.16Å; I400-F404 HydrophobicContact CG2-CZ 3.71Å; I400-F404 PolarHBondContact N-O 2.88Å; I400-F404 PolarHBondContact O-N 2.99Å; F404-I406 HydrophobicContact CD2-CD1 3.96Å; F404-I406 HydrophobicContact CD2-CG1 4.45Å; F404-I406 HydrophobicContact CE2-CD1 4.04Å; F404-I406 HydrophobicContact CE2-CG1 4.33Å; F404-M416 HydrophobicContact CB-CG 4.06Å; F404-M416 HydrophobicContact CD2-CE 4.28Å; F404-M416 HydrophobicContact CD2-CG 3.92Å; F404-M416 HydrophobicContact CD2-SD 4.19Å; F404-M416 HydrophobicContact CE2-CE 4.27Å; F404-M416 HydrophobicContact CG-CG 4.19Å; F404-M416 HydrophobicContact CG-SD 4.3Å; F404-V417 CarbonylContact C-O 3.57Å; F404-V417 WeakPolarHBondContact CA-O 2.93Å; F404-V417 WeakPolarHBondContact CB-O 3.36Å
405T95Very high91.3Very high0 Ų064.8 Ų64.80%033%0.328CS..EExtended strand (participates in β ladder)trans-135.2140.3174-62.10000109.6I382 L394 D398 I407 V417 Y419I382-T405 HydrophobicContact CG2-CG2 3.69Å; L394-T405 HydrophobicContact CD2-CG2 4.42Å; D398-T405 PolarHBondContact O-OG1 2.65Å; T405-I407 HydrophobicContact CG2-CG1 4.26Å; T405-V417 PolarHBondContact N-O 2.74Å; T405-V417 PolarHBondContact O-N 2.64Å; T405-Y419 WeakPolarHBondContact CB-OH 3.39Å; T405-Y419 WeakPolarHBondContact OG1-CE2 3.32Å; T405-Y419 PolarHBondContact OG1-OH 3.22Å
406I94.6Very high91.5Very high1 Ų163.6 Ų63.61%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-93.6117.6175.2-54.5-57.8000109.6L328 F340 N383 F404 Y414 F415 M416L328-I406 HydrophobicContact CD1-CB 3.82Å; L328-I406 HydrophobicContact CD1-CG1 4.28Å; L328-I406 HydrophobicContact CD1-CG2 3.59Å; F340-I406 HydrophobicContact CB-CD1 4.29Å; F340-I406 HydrophobicContact CD1-CG2 4.48Å; F340-I406 HydrophobicContact CD2-CD1 3.77Å; F340-I406 HydrophobicContact CD2-CG1 4.06Å; F340-I406 HydrophobicContact CD2-CG2 4.49Å; F340-I406 HydrophobicContact CE1-CG2 4.02Å; F340-I406 HydrophobicContact CE2-CD1 4.21Å; F340-I406 HydrophobicContact CE2-CG1 4.01Å; F340-I406 HydrophobicContact CE2-CG2 3.98Å; F340-I406 HydrophobicContact CG-CD1 3.99Å; F340-I406 HydrophobicContact CZ-CG2 3.73Å; N383-I406 PolarHBondContact N-O 2.97Å; N383-I406 PolarHBondContact OD1-N 3.16Å; F404-I406 HydrophobicContact CD2-CD1 3.96Å; F404-I406 HydrophobicContact CD2-CG1 4.45Å; F404-I406 HydrophobicContact CE2-CD1 4.04Å; F404-I406 HydrophobicContact CE2-CG1 4.33Å; I406-Y414 HydrophobicContact CG2-CD1 3.97Å; I406-F415 WeakPolarHBondContact CA-O 3.48Å; I406-M416 HydrophobicContact CD1-CB 3.94Å; I406-M416 HydrophobicContact CD1-CE 3.86Å; I406-M416 HydrophobicContact CD1-CG 3.91Å
407I95.2Very high91.7Very high0 Ų059 Ų590%029%0.287CS..EExtended strand (participates in β ladder)trans-108.5126.5174.5-60.8-172.5000109.5I355 V358 L359 I364 I380 Y381 T405 Y414 F415 V417I355-I407 HydrophobicContact CD1-CD1 4.47Å; V358-I407 HydrophobicContact CG1-CD1 3.68Å; L359-I407 HydrophobicContact CD2-CG2 3.96Å; I364-I407 HydrophobicContact CD1-CB 3.9Å; I364-I407 HydrophobicContact CD1-CD1 4.15Å; I364-I407 HydrophobicContact CD1-CG2 3.86Å; I380-I407 HydrophobicContact CG2-CG2 4.35Å; Y381-I407 WeakPolarHBondContact O-CA 3.25Å; T405-I407 HydrophobicContact CG2-CG1 4.26Å; I407-Y414 CarbonylContact O-C 3.58Å; I407-F415 PolarHBondContact N-O 3.02Å; I407-F415 PolarHBondContact O-N 3.19Å; I407-V417 HydrophobicContact CB-CG2 4.33Å; I407-V417 HydrophobicContact CD1-CG2 3.72Å; I407-V417 HydrophobicContact CG1-CG2 3.86Å
408R94.2Very high91.9Very high38 Ų3853.9 Ų53.914%0.14327%0.265CS..EExtended strand (participates in β ladder)trans-109.2129.9170.9-173.7-178.273.5-169.4-6.8110.8I380 Y381 G410 K413 Y414I380-R408 WeakPolarHBondContact CA-O 3.15Å; Y381-R408 VanDerWaalsContact CD1-NH2 3.26Å; Y381-R408 PolarHBondContact N-O 3.16Å; Y381-R408 PolarHBondContact O-N 3.49Å; R408-G410 PolarHBondContact NE-O 2.86Å; R408-K413 CarbonylContact C-O 3.47Å; R408-K413 VanDerWaalsContact CA-O 3.31Å; R408-K413 WeakPolarHBondContact CA-O 3.45Å; R408-Y414 HydrophobicContact CB-CD1 3.75Å; R408-Y414 HydrophobicContact CB-CE1 3.81Å; R408-Y414 HydrophobicContact CB-CG 4.35Å; R408-Y414 VanDerWaalsContact CD-CE1 3.45Å; R408-Y414 WeakPolarHBondContact CD-OH 3.37Å; R408-Y414 HydrophobicContact CG-CD1 3.94Å; R408-Y414 HydrophobicContact CG-CD2 4.3Å; R408-Y414 HydrophobicContact CG-CE1 3.85Å; R408-Y414 HydrophobicContact CG-CE2 4.2Å; R408-Y414 HydrophobicContact CG-CG 4.19Å; R408-Y414 PolarHBondContact NH1-OH 3.33Å
409R94Very high91.9Very high51 Ų5154.2 Ų54.219%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-106.9115.1170.7-174.2179.6178.4-156.5-3.4110.6I364 D374 A379 I380 K413 F415I364-R409 HydrophobicContact CG2-CB 4.11Å; I364-R409 WeakPolarHBondContact O-CD 3.03Å; I364-R409 PolarHBondContact O-NH1 3.27Å; D374-R409 IonicContact OD1-NH2 2.65Å; D374-R409 IonicContact OD2-CZ 3.86Å; D374-R409 IonicContact OD2-NE 3.64Å; D374-R409 PolarHBondContact OD2-NE 2.72Å; D374-R409 IonicContact OD2-NH2 3.06Å; D374-R409 PolarHBondContact OD2-NH2 3.38Å; A379-R409 CarbonylContact O-C 3.46Å; A379-R409 WeakPolarHBondContact O-CA 3.12Å; I380-R409 HydrophobicContact CD1-CB 4.16Å; I380-R409 HydrophobicContact CD1-CG 3.99Å; R409-K413 HydrophobicContact CB-CB 4.45Å; R409-K413 PolarHBondContact N-O 3.49Å; R409-K413 WeakPolarHBondContact O-CB 3.29Å; R409-F415 HydrophobicContact CB-CE2 4.37Å
410G91Very high91.6Very high29 Ų2960.4 Ų60.430%0.29929%0.294SS..THydrogen-bonded Turntrans69.8-140.1-175.800000112.2A379 R408A379-G410 PolarHBondContact O-N 3.35Å; R408-G410 PolarHBondContact NE-O 2.86Å
411K83.4Confident91.6Very high191 Ų19161.9 Ų61.983%0.8330%0.301SS*.THydrogen-bonded Turntrans-90.1-29.9-172.9-66.7-174177.5-1770115
412K83.1Confident91.8Very high185 Ų18558.3 Ų58.380%0.80428%0.28SS*.THydrogen-bonded Turntrans-133.5-13.1-166.8-65.5-170.2176.5-171.30115.4Y414K412-Y414 WeakPolarHBondContact O-CD2 3.03Å; K412-Y414 PolarHBondContact O-N 2.72Å
413K89.8Confident92Very high132 Ų13258.9 Ų58.957%0.57427%0.269SS*.EExtended strand (participates in β ladder)trans-91.2100.9-175-57.6-173.2176.4-172.60109.5R408 R409 F415R408-K413 CarbonylContact C-O 3.47Å; R408-K413 VanDerWaalsContact CA-O 3.31Å; R408-K413 WeakPolarHBondContact CA-O 3.45Å; R409-K413 HydrophobicContact CB-CB 4.45Å; R409-K413 PolarHBondContact N-O 3.49Å; R409-K413 WeakPolarHBondContact O-CB 3.29Å; K413-F415 HydrophobicContact CB-CE2 3.91Å; K413-F415 HydrophobicContact CB-CZ 4.46Å
414Y92.2Very high92.1Very high41 Ų4156.2 Ų56.216%0.16126%0.256CS..EExtended strand (participates in β ladder)trans-98.8150.5174.4-69.1-94.2000110.4F340 P344 I406 I407 R408 K412F340-Y414 HydrophobicContact CD1-CD1 4.48Å; F340-Y414 HydrophobicContact CD1-CG 4.42Å; F340-Y414 AromaticContact CE1-CD1 3.36Å; F340-Y414 HydrophobicContact CE1-CD1 3.36Å; F340-Y414 HydrophobicContact CE1-CD2 4.3Å; F340-Y414 AromaticContact CE1-CE1 3.98Å; F340-Y414 HydrophobicContact CE1-CE1 3.98Å; F340-Y414 AromaticContact CE1-CG 3.54Å; F340-Y414 HydrophobicContact CE1-CG 3.54Å; F340-Y414 AromaticContact CZ-CD1 3.71Å; F340-Y414 HydrophobicContact CZ-CD1 3.71Å; F340-Y414 AromaticContact CZ-CE1 3.96Å; F340-Y414 HydrophobicContact CZ-CE1 3.96Å; F340-Y414 HydrophobicContact CZ-CG 4.33Å; P344-Y414 WeakPolarHBondContact CD-O 3.2Å; I406-Y414 HydrophobicContact CG2-CD1 3.97Å; I407-Y414 CarbonylContact O-C 3.58Å; R408-Y414 HydrophobicContact CB-CD1 3.75Å; R408-Y414 HydrophobicContact CB-CE1 3.81Å; R408-Y414 HydrophobicContact CB-CG 4.35Å; R408-Y414 VanDerWaalsContact CD-CE1 3.45Å; R408-Y414 WeakPolarHBondContact CD-OH 3.37Å; R408-Y414 HydrophobicContact CG-CD1 3.94Å; R408-Y414 HydrophobicContact CG-CD2 4.3Å; R408-Y414 HydrophobicContact CG-CE1 3.85Å; R408-Y414 HydrophobicContact CG-CE2 4.2Å; R408-Y414 HydrophobicContact CG-CG 4.19Å; R408-Y414 PolarHBondContact NH1-OH 3.33Å; K412-Y414 WeakPolarHBondContact O-CD2 3.03Å; K412-Y414 PolarHBondContact O-N 2.72Å
415F94.9Very high91.9Very high29 Ų2959.8 Ų59.813%0.12727%0.272CS..EExtended strand (participates in β ladder)trans-139.9137.2176.7-60.2-96.6000107.8P344 V346 I364 I406 I407 R409 K413P344-F415 HydrophobicContact CB-CD1 3.66Å; P344-F415 HydrophobicContact CB-CE1 3.91Å; P344-F415 HydrophobicContact CG-CD1 4.3Å; P344-F415 HydrophobicContact CG-CE1 4.22Å; P344-F415 WeakPolarHBondContact O-CA 3.28Å; V346-F415 HydrophobicContact CG1-CD1 4.29Å; V346-F415 HydrophobicContact CG2-CB 4.42Å; I364-F415 HydrophobicContact CB-CD2 4.44Å; I364-F415 HydrophobicContact CB-CE2 4.39Å; I364-F415 HydrophobicContact CD1-CB 3.7Å; I364-F415 HydrophobicContact CD1-CD1 4.32Å; I364-F415 HydrophobicContact CD1-CD2 3.98Å; I364-F415 HydrophobicContact CD1-CG 3.76Å; I364-F415 HydrophobicContact CG1-CB 4.07Å; I364-F415 HydrophobicContact CG1-CD1 3.71Å; I364-F415 HydrophobicContact CG1-CD2 3.81Å; I364-F415 HydrophobicContact CG1-CE1 4.06Å; I364-F415 HydrophobicContact CG1-CE2 4.16Å; I364-F415 HydrophobicContact CG1-CG 3.59Å; I364-F415 HydrophobicContact CG1-CZ 4.27Å; I364-F415 HydrophobicContact CG2-CD2 3.93Å; I364-F415 HydrophobicContact CG2-CE2 3.77Å; I364-F415 HydrophobicContact CG2-CZ 4.27Å; I406-F415 WeakPolarHBondContact CA-O 3.48Å; I407-F415 PolarHBondContact N-O 3.02Å; I407-F415 PolarHBondContact O-N 3.19Å; R409-F415 HydrophobicContact CB-CE2 4.37Å; K413-F415 HydrophobicContact CB-CE2 3.91Å; K413-F415 HydrophobicContact CB-CZ 4.46Å
416M95Very high91.7Very high5 Ų563.7 Ų63.73%0.02529%0.291CS..EExtended strand (participates in β ladder)trans-99.5114.5168.4-178.2-179.6-68.400107.9K337 F340 V343 P344 Q345 V346 F404 I406 N418K337-M416 HydrophobicContact CG-CE 4.43Å; F340-M416 HydrophobicContact CB-CE 3.45Å; F340-M416 VanDerWaalsContact CB-CE 3.45Å; F340-M416 HydrophobicContact CG-CE 4.49Å; V343-M416 HydrophobicContact CG2-CB 4.27Å; P344-M416 PolarHBondContact O-N 2.97Å; P344-M416 VanDerWaalsContact O-N 3.1Å; Q345-M416 PolarHBondContact NE2-SD 3.43Å; Q345-M416 VanDerWaalsContact NE2-SD 3.41Å; Q345-M416 PolarHBondContact OE1-SD 3.36Å; V346-M416 PolarHBondContact N-O 2.92Å; F404-M416 HydrophobicContact CB-CG 4.06Å; F404-M416 HydrophobicContact CD2-CE 4.28Å; F404-M416 HydrophobicContact CD2-CG 3.92Å; F404-M416 HydrophobicContact CD2-SD 4.19Å; F404-M416 HydrophobicContact CE2-CE 4.27Å; F404-M416 HydrophobicContact CG-CG 4.19Å; F404-M416 HydrophobicContact CG-SD 4.3Å; I406-M416 HydrophobicContact CD1-CB 3.94Å; I406-M416 HydrophobicContact CD1-CE 3.86Å; I406-M416 HydrophobicContact CD1-CG 3.91Å; M416-N418 PolarHBondContact O-ND2 3.11Å
417V96Very high91.5Very high0 Ų068.2 Ų68.20%031%0.311CS..EExtended strand (participates in β ladder)trans-94.2109.9-179.3-176.30000108.3V346 L348 T362 I364 F404 T405 I407V346-V417 HydrophobicContact CG2-CB 4.23Å; V346-V417 HydrophobicContact CG2-CG1 4.48Å; V346-V417 HydrophobicContact CG2-CG2 3.73Å; V346-V417 WeakPolarHBondContact O-CA 3.41Å; L348-V417 HydrophobicContact CB-CG1 3.42Å; L348-V417 VanDerWaalsContact CB-CG1 3.42Å; L348-V417 HydrophobicContact CD2-CG1 3.8Å; L348-V417 HydrophobicContact CG-CG1 4.23Å; T362-V417 HydrophobicContact CG2-CG1 3.82Å; T362-V417 HydrophobicContact CG2-CG2 4.18Å; I364-V417 HydrophobicContact CD1-CG2 4.14Å; F404-V417 CarbonylContact C-O 3.57Å; F404-V417 WeakPolarHBondContact CA-O 2.93Å; F404-V417 WeakPolarHBondContact CB-O 3.36Å; T405-V417 PolarHBondContact N-O 2.74Å; T405-V417 PolarHBondContact O-N 2.64Å; I407-V417 HydrophobicContact CB-CG2 4.33Å; I407-V417 HydrophobicContact CD1-CG2 3.72Å; I407-V417 HydrophobicContact CG1-CG2 3.86Å
418N95.1Very high91.3Very high47 Ų4773.5 Ų73.525%0.25134%0.335SS..EExtended strand (participates in β ladder)trans-94.9133.1178.6-60-81.8000109.6Q345 V346 T347 L348 M416Q345-N418 PolarHBondContact OE1-ND2 3.31Å; V346-N418 PolarHBondContact O-N 3.16Å; V346-N418 PolarHBondContact O-ND2 2.91Å; T347-N418 CarbonylContact C-O 3.55Å; T347-N418 WeakPolarHBondContact CA-O 3.5Å; L348-N418 PolarHBondContact N-O 3.26Å; M416-N418 PolarHBondContact O-ND2 3.11Å
419Y92.5Very high91Very high29 Ų2976.4 Ų76.411%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-85.4138.7-178.1-64.5-86.2000111.7L348 K399 E403 T405L348-Y419 HydrophobicContact CD2-CD1 4.14Å; L348-Y419 HydrophobicContact CD2-CE1 3.6Å; L348-Y419 HydrophobicContact CG-CE1 4.48Å; L348-Y419 WeakPolarHBondContact O-CA 3.38Å; K399-Y419 HydrophobicContact CB-CE2 4.03Å; K399-Y419 HydrophobicContact CD-CD1 4.22Å; K399-Y419 HydrophobicContact CD-CD2 3.92Å; K399-Y419 HydrophobicContact CD-CE1 4.07Å; K399-Y419 HydrophobicContact CD-CE2 3.8Å; K399-Y419 HydrophobicContact CD-CG 4.15Å; K399-Y419 VanDerWaalsContact CE-CE1 3.47Å; K399-Y419 HydrophobicContact CG-CD2 4.16Å; K399-Y419 HydrophobicContact CG-CE1 4.3Å; K399-Y419 HydrophobicContact CG-CE2 3.56Å; E403-Y419 WeakPolarHBondContact O-CD2 3.23Å; E403-Y419 PolarHBondContact O-N 3.05Å; E403-Y419 VanDerWaalsContact O-N 3.15Å; T405-Y419 WeakPolarHBondContact CB-OH 3.39Å; T405-Y419 WeakPolarHBondContact OG1-CE2 3.32Å; T405-Y419 PolarHBondContact OG1-OH 3.22Å
420Q85.1Confident90.7Very high178 Ų17878.7 Ų78.783%0.83237%0.365SS*.  trans-123.60173.2-81.2-175.33.200112.6T347 L348 N350T347-Q420 HydrophobicContact CG2-CB 3.82Å; T347-Q420 HydrophobicContact CG2-CG 3.5Å; T347-Q420 VanDerWaalsContact CG2-CG 3.5Å; T347-Q420 VanDerWaalsContact CG2-OE1 3.31Å; L348-Q420 PolarHBondContact O-N 2.99Å; N350-Q420 PolarHBondContact N-O 3.04Å; N350-Q420 PolarHBondContact ND2-O 2.86Å; N350-Q420 PolarHBondContact ND2-OXT 2.9Å

Retrieved 420 of 420 residues in 1470.3 ms (Link to these results)

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