A0A087YJJ1_POEFO Loading...

CDK5 regulatory subunit associated protein 3

AlphaFold DB , UniProt , Accession A0A087YJJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 506 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
1M45.9Very low71.9Confident247 Ų247103.7 Ų103.7100%1.21753%0.529SS*.  0105.30-71.2-171.9-12600106.4N3M1-N3 PolarHBondContact O-N 3.2Å
2E48.4Very low73.7Confident173 Ų173103.3 Ų103.381%0.80852%0.523SS*.  trans-60.3132.2174.8-72.8175.9159.100108.8I4E2-I4 PolarHBondContact O-N 3.12Å
3N57.9Low75.2Confident88 Ų8895.5 Ų95.547%0.47148%0.484SS..  trans-66.8104.5-177.5-165.3-3.9000108M1 Q5 N6M1-N3 PolarHBondContact O-N 3.2Å; N3-Q5 PolarHBondContact O-N 3.39Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.42Å; N3-N6 PolarHBondContact O-N 3.31Å
4I62.5Low76.5Confident123 Ų12393.7 Ų93.763%0.63149%0.485SS*.G310 helixtrans-53.3-21.6-178.9-63.2166.6000111.4E2 N6 L7E2-I4 PolarHBondContact O-N 3.12Å; I4-N6 PolarHBondContact O-N 3.34Å; I4-L7 PolarHBondContact O-N 2.92Å
5Q62.9Low77.6Confident126 Ų12696.7 Ų96.759%0.58949%0.493SS*.G310 helixtrans-67.2-15.1174.3-61.7-177.2-1200114.5N3 R497N3-Q5 PolarHBondContact O-N 3.39Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.42Å; Q5-R497 WeakPolarHBondContact O-CG 3.48Å
6N67.6Low78.7Confident122 Ų12290.7 Ų90.765%0.65246%0.462SS*.G310 helixtrans-98.7-5179.2-67.5-12.9000113.6N3 I4N3-N6 PolarHBondContact O-N 3.31Å; I4-N6 PolarHBondContact O-N 3.34Å
7L81.8Confident79.5Confident90 Ų9087.2 Ų87.247%0.47145%0.445SS..SBendtrans-77.4130.9179.9-68.9171.9000110.7I4 R497I4-L7 PolarHBondContact O-N 2.92Å; L7-R497 PolarHBondContact O-NE 2.99Å; L7-R497 PolarHBondContact O-NH2 3.32Å
8P87.1Confident80.3Confident57 Ų5787.9 Ų87.937%0.3745%0.449SS..  trans-65.9151.317828.1-33.7000112.1P498P8-P498 CarbonylContact C-O 3.56Å; P8-P498 VanDerWaalsContact CA-O 3.32Å; P8-P498 WeakPolarHBondContact CA-O 3.35Å; P8-P498 HydrophobicContact CB-CB 4.33Å; P8-P498 HydrophobicContact CB-CG 4.12Å
9I90.6Very high81Confident19 Ų1984.7 Ų84.710%0.09743%0.431CS..EExtended strand (participates in β ladder)trans-98.1101.4172-56.6176.3000107I11 W19 Y494 R497 P498 V499 N500I9-I11 HydrophobicContact CG2-CD1 4.11Å; I9-I11 HydrophobicContact CG2-CG1 3.96Å; I9-W19 HydrophobicContact CG2-CH2 4.42Å; I9-W19 HydrophobicContact CG2-CZ2 3.76Å; I9-Y494 HydrophobicContact CD1-CD1 4.02Å; I9-Y494 HydrophobicContact CD1-CD2 3.85Å; I9-Y494 HydrophobicContact CD1-CE2 4.48Å; I9-Y494 HydrophobicContact CD1-CG 3.61Å; I9-R497 HydrophobicContact CD1-CB 4.37Å; I9-P498 PolarHBondContact N-O 3.24Å; I9-V499 HydrophobicContact CB-CG2 4.2Å; I9-V499 HydrophobicContact CD1-CG2 4.37Å; I9-V499 CarbonylContact O-C 3.58Å; I9-V499 WeakPolarHBondContact O-CA 3.42Å; I9-N500 PolarHBondContact O-N 3.42Å
10D92.9Very high81.7Confident92 Ų9280.5 Ų80.549%0.49241%0.41SS..EExtended strand (participates in β ladder)trans-93.1126.6177.6-58.2-34.6000110N500 M502D10-N500 WeakPolarHBondContact CA-O 3.48Å; D10-N500 WeakPolarHBondContact OD1-CB 3.35Å; D10-N500 PolarHBondContact OD1-ND2 3.09Å; D10-M502 HydrophobicContact CB-CG 4.2Å
11I93.6Very high82.1Confident4 Ų478.3 Ų78.32%0.02140%0.4CS..EExtended strand (participates in β ladder)trans-127.9123.2-177.9-49.6170.8000108.2I9 T13 L16 W19 I490 V499 N500 L501 M502I9-I11 HydrophobicContact CG2-CD1 4.11Å; I9-I11 HydrophobicContact CG2-CG1 3.96Å; I11-T13 PolarHBondContact O-N 3.36Å; I11-L16 HydrophobicContact CD1-CD1 4.36Å; I11-L16 HydrophobicContact CG2-CB 4.41Å; I11-L16 HydrophobicContact CG2-CD1 4.01Å; I11-W19 HydrophobicContact CD1-CD2 3.7Å; I11-W19 HydrophobicContact CD1-CE3 3.8Å; I11-W19 HydrophobicContact CD1-CG 4.36Å; I11-W19 HydrophobicContact CD1-CH2 3.81Å; I11-W19 HydrophobicContact CD1-CZ2 3.69Å; I11-W19 HydrophobicContact CD1-CZ3 3.85Å; I11-W19 HydrophobicContact CG1-CD2 4.21Å; I11-W19 HydrophobicContact CG1-CG 4.47Å; I11-W19 HydrophobicContact CG1-CZ2 4.23Å; I11-W19 HydrophobicContact CG2-CB 4.12Å; I11-W19 HydrophobicContact CG2-CD2 4.38Å; I11-W19 HydrophobicContact CG2-CG 3.96Å; I11-I490 HydrophobicContact CD1-CD1 3.93Å; I11-V499 HydrophobicContact CD1-CG1 4.12Å; I11-N500 PolarHBondContact N-O 3.35Å; I11-L501 HydrophobicContact CB-CD2 3.88Å; I11-L501 HydrophobicContact CD1-CD2 4.33Å; I11-L501 HydrophobicContact CG2-CD2 4.41Å; I11-L501 CarbonylContact O-C 3.6Å; I11-L501 WeakPolarHBondContact O-CA 3.44Å; I11-M502 PolarHBondContact O-N 3.31Å
12Q93.7Very high84.4Confident98 Ų9872.6 Ų72.646%0.45837%0.374SS..EExtended strand (participates in β ladder)trans-67.1127.4172.4-171.566.811.800109.8S14 K15 L16 M502Q12-S14 VanDerWaalsContact C-N 3.25Å; Q12-S14 WeakPolarHBondContact CG-OG 3.46Å; Q12-S14 PolarHBondContact O-N 2.73Å; Q12-S14 VanDerWaalsContact O-N 3.16Å; Q12-K15 CarbonylContact O-C 3.47Å; Q12-K15 PolarHBondContact O-N 3.13Å; Q12-L16 PolarHBondContact O-N 2.78Å; Q12-M502 PolarHBondContact OE1-O 3.42Å
13T93.1Very high86.5Confident3 Ų370.1 Ų70.12%0.01836%0.358CS..G310 helixtrans-52.6-42.9-176.8-55.30000112.2I11 K15 L16 L118 I119 V122 M502 V504I11-T13 PolarHBondContact O-N 3.36Å; T13-K15 PolarHBondContact O-N 3.28Å; T13-K15 VanDerWaalsContact O-N 3.14Å; T13-L16 WeakPolarHBondContact O-CB 3.48Å; T13-L16 PolarHBondContact O-N 2.73Å; T13-L16 VanDerWaalsContact O-N 3.07Å; T13-L118 HydrophobicContact CG2-CD2 3.97Å; T13-L118 HydrophobicContact CG2-CG 4.01Å; T13-I119 HydrophobicContact CG2-CG1 4.21Å; T13-I119 WeakPolarHBondContact O-CD1 3.46Å; T13-I119 WeakPolarHBondContact O-CG1 3.29Å; T13-V122 HydrophobicContact CG2-CG2 4.41Å; T13-M502 PolarHBondContact N-O 2.97Å; T13-M502 PolarHBondContact OG1-O 3.46Å; T13-V504 HydrophobicContact CG2-CG2 4.33Å; T13-V504 WeakPolarHBondContact OG1-CG2 3.49Å
14S92.6Very high88Confident70 Ų7076.8 Ų76.849%0.4938%0.376SS..G310 helixtrans-62.7-20.7179.558.80000114.7Q12Q12-S14 VanDerWaalsContact C-N 3.25Å; Q12-S14 WeakPolarHBondContact CG-OG 3.46Å; Q12-S14 PolarHBondContact O-N 2.73Å; Q12-S14 VanDerWaalsContact O-N 3.16Å
15K94.1Very high89.4Confident139 Ų13972.3 Ų72.360%0.60435%0.352SS*.G310 helixtrans-106.54.5178.2-62.4-173.3176-1770112.9Q12 T13 L17 D18 W19Q12-K15 CarbonylContact O-C 3.47Å; Q12-K15 PolarHBondContact O-N 3.13Å; T13-K15 PolarHBondContact O-N 3.28Å; T13-K15 VanDerWaalsContact O-N 3.14Å; K15-L17 PolarHBondContact O-N 3.29Å; K15-D18 PolarHBondContact O-N 2.7Å; K15-W19 VanDerWaalsContact O-CB 3.28Å; K15-W19 WeakPolarHBondContact O-CB 3.34Å; K15-W19 PolarHBondContact O-N 3.15Å
16L94.4Very high90.7Very high0 Ų066.7 Ų66.70%033%0.327CS..Hα-helixtrans-59.4-45-172.5174.461.7000112.1I11 Q12 T13 W19 L20 A115 L118 I119 I486 I490 L501I11-L16 HydrophobicContact CD1-CD1 4.36Å; I11-L16 HydrophobicContact CG2-CB 4.41Å; I11-L16 HydrophobicContact CG2-CD1 4.01Å; Q12-L16 PolarHBondContact O-N 2.78Å; T13-L16 WeakPolarHBondContact O-CB 3.48Å; T13-L16 PolarHBondContact O-N 2.73Å; T13-L16 VanDerWaalsContact O-N 3.07Å; L16-W19 WeakPolarHBondContact O-CB 3.5Å; L16-W19 PolarHBondContact O-N 3.37Å; L16-L20 HydrophobicContact CD1-CD1 4.22Å; L16-L20 HydrophobicContact CD1-CG 4.3Å; L16-L20 HydrophobicContact CG-CD1 4.2Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.35Å; L16-A115 HydrophobicContact CD2-CB 3.57Å; L16-A115 HydrophobicContact CG-CB 3.79Å; L16-L118 HydrophobicContact CD2-CD2 4.07Å; L16-I119 HydrophobicContact CB-CD1 4.37Å; L16-I486 HydrophobicContact CD1-CG2 4.33Å; L16-I486 HydrophobicContact CD2-CD1 4.27Å; L16-I486 HydrophobicContact CD2-CG2 4.07Å; L16-I490 HydrophobicContact CD1-CD1 4.03Å; L16-L501 HydrophobicContact CD1-CD2 3.76Å; L16-L501 HydrophobicContact CD2-CD1 4.07Å; L16-L501 HydrophobicContact CD2-CD2 4.29Å
17L93Very high91.7Very high32 Ų3264 Ų6417%0.16831%0.313CS..Hα-helixtrans-65.8-44.7-179-172.963.9000111.7K15 W19 L20 V21 W30 A112 I119K15-L17 PolarHBondContact O-N 3.29Å; L17-W19 VanDerWaalsContact C-N 3.32Å; L17-W19 PolarHBondContact O-N 2.96Å; L17-L20 WeakPolarHBondContact O-CB 3.25Å; L17-L20 PolarHBondContact O-N 3.13Å; L17-V21 WeakPolarHBondContact O-CG2 3.21Å; L17-V21 PolarHBondContact O-N 3.47Å; L17-W30 HydrophobicContact CD1-CZ2 4.41Å; L17-W30 HydrophobicContact CD2-CZ2 3.88Å; L17-A112 HydrophobicContact CD1-CB 3.86Å; L17-I119 HydrophobicContact CB-CD1 4.01Å
18D92.8Very high92Very high99 Ų9965.3 Ų65.353%0.52932%0.319SS..Hα-helixtrans-60.8-44175.9-61-24.8000110.7K15 L20 V21 D22K15-D18 PolarHBondContact O-N 2.7Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.4Å; D18-V21 PolarHBondContact O-N 2.77Å; D18-D22 WeakPolarHBondContact O-CB 3.35Å; D18-D22 VanDerWaalsContact O-CG 3.28Å; D18-D22 PolarHBondContact O-N 2.76Å
19W94.9Very high92Very high28 Ų2869.8 Ų69.811%0.10633%0.332CS..Hα-helixtrans-59.1-39.5177.8-175105.9000112.5I9 I11 K15 L16 L17 R23 H25 I490 Y494I9-W19 HydrophobicContact CG2-CH2 4.42Å; I9-W19 HydrophobicContact CG2-CZ2 3.76Å; I11-W19 HydrophobicContact CD1-CD2 3.7Å; I11-W19 HydrophobicContact CD1-CE3 3.8Å; I11-W19 HydrophobicContact CD1-CG 4.36Å; I11-W19 HydrophobicContact CD1-CH2 3.81Å; I11-W19 HydrophobicContact CD1-CZ2 3.69Å; I11-W19 HydrophobicContact CD1-CZ3 3.85Å; I11-W19 HydrophobicContact CG1-CD2 4.21Å; I11-W19 HydrophobicContact CG1-CG 4.47Å; I11-W19 HydrophobicContact CG1-CZ2 4.23Å; I11-W19 HydrophobicContact CG2-CB 4.12Å; I11-W19 HydrophobicContact CG2-CD2 4.38Å; I11-W19 HydrophobicContact CG2-CG 3.96Å; K15-W19 VanDerWaalsContact O-CB 3.28Å; K15-W19 WeakPolarHBondContact O-CB 3.34Å; K15-W19 PolarHBondContact O-N 3.15Å; L16-W19 WeakPolarHBondContact O-CB 3.5Å; L16-W19 PolarHBondContact O-N 3.37Å; L17-W19 VanDerWaalsContact C-N 3.32Å; L17-W19 PolarHBondContact O-N 2.96Å; W19-R23 VanDerWaalsContact CE2-CD 3.42Å; W19-R23 VanDerWaalsContact CE2-NE 3.3Å; W19-R23 VanDerWaalsContact CZ2-NE 3.34Å; W19-R23 VanDerWaalsContact NE1-NH1 3.1Å; W19-R23 WeakPolarHBondContact O-CB 3.43Å; W19-R23 PolarHBondContact O-N 3.04Å; W19-H25 AromaticContact CZ3-CD2 3.83Å; W19-I490 HydrophobicContact CH2-CG2 3.73Å; W19-I490 HydrophobicContact CZ3-CD1 4.2Å; W19-I490 HydrophobicContact CZ3-CG2 3.98Å; W19-Y494 AromaticContact CH2-CE2 3.63Å; W19-Y494 HydrophobicContact CH2-CE2 3.63Å; W19-Y494 HydrophobicContact CZ2-CE2 4.48Å; W19-Y494 HydrophobicContact CZ3-CE2 4.46Å
20L93.8Very high92.1Very high0 Ų069.9 Ų69.90%033%0.332CS..Hα-helixtrans-68.6-40.9177.1-72.3169.1000111.9L16 L17 D18 R24 H25 C26 L111 A115 I490L16-L20 HydrophobicContact CD1-CD1 4.22Å; L16-L20 HydrophobicContact CD1-CG 4.3Å; L16-L20 HydrophobicContact CG-CD1 4.2Å; L16-L20 VanDerWaalsContact O-CG 3.26Å; L16-L20 WeakPolarHBondContact O-CG 3.41Å; L16-L20 PolarHBondContact O-N 3.35Å; L17-L20 WeakPolarHBondContact O-CB 3.25Å; L17-L20 PolarHBondContact O-N 3.13Å; D18-L20 VanDerWaalsContact C-N 3.29Å; D18-L20 PolarHBondContact O-N 3.4Å; L20-R24 PolarHBondContact O-N 2.98Å; L20-H25 HydrophobicContact CD2-CB 4.08Å; L20-H25 WeakPolarHBondContact O-CB 3.24Å; L20-H25 PolarHBondContact O-N 2.88Å; L20-C26 HydrophobicContact CB-CB 4.38Å; L20-C26 PolarHBondContact O-N 3.42Å; L20-L111 HydrophobicContact CD1-CD2 4.43Å; L20-L111 HydrophobicContact CD1-CG 3.9Å; L20-L111 HydrophobicContact CD2-CD2 3.55Å; L20-L111 HydrophobicContact CD2-CG 3.95Å; L20-A115 HydrophobicContact CD1-CB 3.7Å; L20-I490 HydrophobicContact CD2-CD1 4.16Å; L20-I490 HydrophobicContact CD2-CG1 4.34Å
21V91.5Very high92Very high34 Ų3470.6 Ų70.621%0.20633%0.332CS..Hα-helixtrans-72.4-45.5179.4174.30000111.4L17 D18 R23 R24 C26 I28L17-V21 WeakPolarHBondContact O-CG2 3.21Å; L17-V21 PolarHBondContact O-N 3.47Å; D18-V21 PolarHBondContact O-N 2.77Å; V21-R23 PolarHBondContact O-N 3.41Å; V21-R24 WeakPolarHBondContact O-CA 3.4Å; V21-R24 PolarHBondContact O-N 3.18Å; V21-C26 HydrophobicContact CG2-CB 4.41Å; V21-I28 HydrophobicContact CG1-CB 4.17Å; V21-I28 HydrophobicContact CG1-CG1 4.45Å
22D93.1Very high91.9Very high127 Ų12774 Ų7468%0.67936%0.357SS*.Hα-helixtrans-59.4-36.5-179.4-76.7-13.7000112.3D18 R24D18-D22 WeakPolarHBondContact O-CB 3.35Å; D18-D22 VanDerWaalsContact O-CG 3.28Å; D18-D22 PolarHBondContact O-N 2.76Å; D22-R24 PolarHBondContact O-N 3.44Å
23R92.5Very high91.8Very high121 Ų12171.8 Ų71.846%0.45735%0.349SS..THydrogen-bonded Turntrans-85.14.5176.7-72.9171.2171.771.9-0.2113.6W19 V21 H25 Y494W19-R23 VanDerWaalsContact CE2-CD 3.42Å; W19-R23 VanDerWaalsContact CE2-NE 3.3Å; W19-R23 VanDerWaalsContact CZ2-NE 3.34Å; W19-R23 VanDerWaalsContact NE1-NH1 3.1Å; W19-R23 WeakPolarHBondContact O-CB 3.43Å; W19-R23 PolarHBondContact O-N 3.04Å; V21-R23 PolarHBondContact O-N 3.41Å; R23-H25 PolarHBondContact O-N 3.22Å; R23-Y494 WeakPolarHBondContact CD-OH 3.43Å
24R90.6Very high91.8Very high229 Ų22972.3 Ų72.386%0.86435%0.352SS*.THydrogen-bonded Turntrans59.527.8-179.7-51.5-179-179.9-172.3-0.9113.6L20 V21 D22L20-R24 PolarHBondContact O-N 2.98Å; V21-R24 WeakPolarHBondContact O-CA 3.4Å; V21-R24 PolarHBondContact O-N 3.18Å; D22-R24 PolarHBondContact O-N 3.44Å
25H90.1Very high91.8Very high28 Ų2875.5 Ų75.513%0.1336%0.358CS..SBendtrans-75.5-31.8171.5-68.5-56.9000111.5W19 L20 R23 N108 Y494W19-H25 AromaticContact CZ3-CD2 3.83Å; L20-H25 HydrophobicContact CD2-CB 4.08Å; L20-H25 WeakPolarHBondContact O-CB 3.24Å; L20-H25 PolarHBondContact O-N 2.88Å; R23-H25 PolarHBondContact O-N 3.22Å; H25-N108 WeakPolarHBondContact O-CB 3.47Å; H25-N108 PolarHBondContact O-ND2 3.15Å; H25-Y494 AromaticContact CE1-CE2 3.95Å; H25-Y494 AromaticContact NE2-CE2 3.5Å; H25-Y494 AromaticContact NE2-CZ 3.5Å; H25-Y494 PolarHBondContact NE2-OH 3.2Å
26C91.5Very high91.8Very high8 Ų872.2 Ų72.25%0.05435%0.349CS..SBendtrans-128.6149.7178.8-64.60000111L20 V21 A112L20-C26 HydrophobicContact CB-CB 4.38Å; L20-C26 PolarHBondContact O-N 3.42Å; V21-C26 HydrophobicContact CG2-CB 4.41Å; C26-A112 HydrophobicContact CB-CB 4.05Å
27N89Confident91.7Very high66 Ų6672.2 Ų72.235%0.35335%0.349SS..  trans-79.9139.8172.6-169.5-27.5000110.8K29 W30 D107N27-K29 PolarHBondContact O-N 2.96Å; N27-K29 PolarHBondContact OD1-N 3.24Å; N27-K29 VanDerWaalsContact OD1-N 3.08Å; N27-W30 WeakPolarHBondContact O-CB 3.46Å; N27-W30 VanDerWaalsContact O-CD1 3.26Å; N27-W30 PolarHBondContact O-N 3.46Å; N27-D107 HydrophobicContact CB-CB 4.17Å; N27-D107 PolarHBondContact ND2-OD2 2.91Å
28I86.4Confident91.7Very high117 Ų11772.7 Ų72.760%0.635%0.349SS*.THydrogen-bonded Turntrans-62.9-25.4178.1-161.9165.6000113.1V21 W30 Q31V21-I28 HydrophobicContact CG1-CB 4.17Å; V21-I28 HydrophobicContact CG1-CG1 4.45Å; I28-W30 VanDerWaalsContact C-N 3.27Å; I28-W30 PolarHBondContact O-N 3.48Å; I28-Q31 PolarHBondContact O-OE1 2.82Å
29K88.3Confident91.7Very high151 Ų15173.1 Ų73.166%0.65735%0.348SS*.THydrogen-bonded Turntrans-89.325.2-180-62.5-174.6177.8179.70113.7N27 Q31 S32N27-K29 PolarHBondContact O-N 2.96Å; N27-K29 PolarHBondContact OD1-N 3.24Å; N27-K29 VanDerWaalsContact OD1-N 3.08Å; K29-Q31 VanDerWaalsContact C-N 3.28Å; K29-Q31 PolarHBondContact O-N 3.37Å; K29-S32 PolarHBondContact O-OG 3.44Å; K29-S32 VanDerWaalsContact O-OG 3.09Å
30W91.4Very high91.6Very high22 Ų2275 Ų758%0.08336%0.357CS..Hα-helixtrans-64.2-28.2-175.365.9-91.5000113.6L17 N27 I28 S32 T33 V34 V109 A112 E113L17-W30 HydrophobicContact CD1-CZ2 4.41Å; L17-W30 HydrophobicContact CD2-CZ2 3.88Å; N27-W30 WeakPolarHBondContact O-CB 3.46Å; N27-W30 VanDerWaalsContact O-CD1 3.26Å; N27-W30 PolarHBondContact O-N 3.46Å; I28-W30 VanDerWaalsContact C-N 3.27Å; I28-W30 PolarHBondContact O-N 3.48Å; W30-S32 PolarHBondContact O-N 2.98Å; W30-T33 PolarHBondContact O-N 3.14Å; W30-V34 HydrophobicContact CE3-CB 4.37Å; W30-V34 HydrophobicContact CE3-CG2 3.61Å; W30-V34 HydrophobicContact CZ3-CB 4.47Å; W30-V34 HydrophobicContact CZ3-CG2 3.95Å; W30-V34 PolarHBondContact O-N 3.32Å; W30-V109 HydrophobicContact CB-CG1 4.39Å; W30-V109 HydrophobicContact CB-CG2 4.43Å; W30-A112 HydrophobicContact CB-CB 3.99Å; W30-A112 HydrophobicContact CD2-CB 3.65Å; W30-A112 HydrophobicContact CE3-CB 4.15Å; W30-A112 HydrophobicContact CG-CB 3.56Å; W30-E113 HydrophobicContact CZ3-CB 4.42Å
31Q91.9Very high91.5Very high107 Ų10775 Ų7550%0.536%0.357SS..Hα-helixtrans-64-38.9-174.5-57.995.4-13.400113.2I28 K29 T33 V34 K35I28-Q31 PolarHBondContact O-OE1 2.82Å; K29-Q31 VanDerWaalsContact C-N 3.28Å; K29-Q31 PolarHBondContact O-N 3.37Å; Q31-T33 VanDerWaalsContact C-N 3.3Å; Q31-T33 PolarHBondContact O-N 3.46Å; Q31-V34 PolarHBondContact O-N 3.29Å; Q31-K35 PolarHBondContact O-N 3.25Å
32S91.4Very high91.4Very high76 Ų7678.1 Ų78.153%0.53137%0.372SS..Hα-helixtrans-65.4-37.9177.7480000111.4K29 W30 K35 T36K29-S32 PolarHBondContact O-OG 3.44Å; K29-S32 VanDerWaalsContact O-OG 3.09Å; W30-S32 PolarHBondContact O-N 2.98Å; S32-K35 WeakPolarHBondContact O-CB 3.21Å; S32-K35 PolarHBondContact O-N 3.26Å; S32-T36 PolarHBondContact O-N 2.96Å; S32-T36 PolarHBondContact O-OG1 3.39Å
33T91.7Very high91.3Very high50 Ų5075.3 Ų75.331%0.30737%0.367SS..Hα-helixtrans-68.8-43178.1-47.50000111.1W30 Q31 K35 T36 I37 V109W30-T33 PolarHBondContact O-N 3.14Å; Q31-T33 VanDerWaalsContact C-N 3.3Å; Q31-T33 PolarHBondContact O-N 3.46Å; T33-K35 VanDerWaalsContact C-N 3.28Å; T33-K35 PolarHBondContact O-N 3.49Å; T33-T36 PolarHBondContact O-N 2.79Å; T33-I37 HydrophobicContact CG2-CD1 4.05Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.24Å; T33-I37 PolarHBondContact O-N 3.33Å; T33-V109 HydrophobicContact CG2-CG1 4.37Å; T33-V109 HydrophobicContact CG2-CG2 4.05Å
34V92.4Very high91.1Very high14 Ų1469.8 Ų69.89%0.08535%0.346CS..Hα-helixtrans-59-39.6174170.30000111.6W30 Q31 T36 I37 R38 V109 E113W30-V34 HydrophobicContact CE3-CB 4.37Å; W30-V34 HydrophobicContact CE3-CG2 3.61Å; W30-V34 HydrophobicContact CZ3-CB 4.47Å; W30-V34 HydrophobicContact CZ3-CG2 3.95Å; W30-V34 PolarHBondContact O-N 3.32Å; Q31-V34 PolarHBondContact O-N 3.29Å; V34-T36 PolarHBondContact O-N 2.88Å; V34-I37 PolarHBondContact O-N 3.18Å; V34-R38 HydrophobicContact CG1-CG 4.15Å; V34-R38 WeakPolarHBondContact O-CB 3.44Å; V34-R38 VanDerWaalsContact O-CG 3.22Å; V34-R38 WeakPolarHBondContact O-CG 3.45Å; V34-R38 PolarHBondContact O-N 3.44Å; V34-V109 HydrophobicContact CG2-CG1 3.41Å; V34-V109 VanDerWaalsContact CG2-CG1 3.41Å; V34-E113 HydrophobicContact CG1-CG 4.18Å; V34-E113 VanDerWaalsContact CG1-OE1 3.27Å; V34-E113 WeakPolarHBondContact CG1-OE1 3.3Å; V34-E113 HydrophobicContact CG2-CB 4.05Å; V34-E113 HydrophobicContact CG2-CG 4.29Å
35K92.5Very high90.9Very high138 Ų13861 Ų6160%0.632%0.316SS*.Hα-helixtrans-59.1-46.8176.7-173.4-176.9174.6-174.20111.8Q31 S32 T33 I37 R38 E39Q31-K35 PolarHBondContact O-N 3.25Å; S32-K35 WeakPolarHBondContact O-CB 3.21Å; S32-K35 PolarHBondContact O-N 3.26Å; T33-K35 VanDerWaalsContact C-N 3.28Å; T33-K35 PolarHBondContact O-N 3.49Å; K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.07Å; K35-R38 WeakPolarHBondContact O-CB 3.44Å; K35-R38 PolarHBondContact O-N 3.34Å; K35-E39 WeakPolarHBondContact CE-OE1 3.16Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 2.87Å; K35-E39 VanDerWaalsContact O-N 3.09Å
36T93.9Very high90.7Very high69 Ų6967.4 Ų67.442%0.42335%0.346SS..Hα-helixtrans-64-40176.3-57.90000112S32 T33 V34 R38 E39 K40S32-T36 PolarHBondContact O-N 2.96Å; S32-T36 PolarHBondContact O-OG1 3.39Å; T33-T36 PolarHBondContact O-N 2.79Å; V34-T36 PolarHBondContact O-N 2.88Å; T36-R38 VanDerWaalsContact C-N 3.32Å; T36-R38 PolarHBondContact O-N 2.73Å; T36-E39 PolarHBondContact O-N 2.87Å; T36-K40 PolarHBondContact O-N 3.25Å; T36-K40 VanDerWaalsContact O-N 3.13Å
37I93.8Very high90.2Very high1 Ų170.5 Ų70.51%0.00536%0.362CS..Hα-helixtrans-63.1-41176.3-66.4165.2000110.8T33 V34 K35 E39 K40 I41 I100 L103 Y104 V109T33-I37 HydrophobicContact CG2-CD1 4.05Å; T33-I37 VanDerWaalsContact O-CG1 3.29Å; T33-I37 WeakPolarHBondContact O-CG1 3.24Å; T33-I37 PolarHBondContact O-N 3.33Å; V34-I37 PolarHBondContact O-N 3.18Å; K35-I37 VanDerWaalsContact C-N 3.34Å; K35-I37 PolarHBondContact O-N 3.07Å; I37-E39 PolarHBondContact O-N 3.36Å; I37-K40 PolarHBondContact O-N 2.84Å; I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.47Å; I37-I41 PolarHBondContact O-N 3.15Å; I37-I100 HydrophobicContact CG2-CG2 4.05Å; I37-L103 HydrophobicContact CD1-CB 3.96Å; I37-L103 HydrophobicContact CG1-CB 3.74Å; I37-L103 HydrophobicContact CG1-CD1 4.39Å; I37-Y104 HydrophobicContact CD1-CD1 3.75Å; I37-Y104 HydrophobicContact CD1-CD2 4.47Å; I37-Y104 HydrophobicContact CD1-CE1 4.02Å; I37-Y104 HydrophobicContact CD1-CG 3.99Å; I37-Y104 HydrophobicContact CG2-CD1 4.45Å; I37-Y104 HydrophobicContact CG2-CD2 3.75Å; I37-Y104 HydrophobicContact CG2-CE1 4.03Å; I37-Y104 HydrophobicContact CG2-CE2 3.29Å; I37-Y104 HydrophobicContact CG2-CG 4.32Å; I37-Y104 VanDerWaalsContact CG2-CZ 3.44Å; I37-V109 HydrophobicContact CD1-CG1 4.19Å
38R92.3Very high89.7Confident42 Ų4269.2 Ų69.216%0.15836%0.355CS..Hα-helixtrans-60.6-43175.9-75-79176-151.3-16.2112.7V34 K35 T36 K40 I41 N42 H62 I63 E113V34-R38 HydrophobicContact CG1-CG 4.15Å; V34-R38 WeakPolarHBondContact O-CB 3.44Å; V34-R38 VanDerWaalsContact O-CG 3.22Å; V34-R38 WeakPolarHBondContact O-CG 3.45Å; V34-R38 PolarHBondContact O-N 3.44Å; K35-R38 WeakPolarHBondContact O-CB 3.44Å; K35-R38 PolarHBondContact O-N 3.34Å; T36-R38 VanDerWaalsContact C-N 3.32Å; T36-R38 PolarHBondContact O-N 2.73Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 2.91Å; R38-I41 PolarHBondContact O-N 3.38Å; R38-N42 VanDerWaalsContact O-CG 3.27Å; R38-N42 PolarHBondContact O-N 3.28Å; R38-N42 PolarHBondContact O-ND2 2.92Å; R38-H62 PolarHBondContact NE-CE1 3.04Å; R38-H62 PolarHBondContact NH2-CD2 3.4Å; R38-H62 PolarHBondContact NH2-CE1 2.9Å; R38-H62 PolarHBondContact NH2-NE2 3.13Å; R38-I63 PolarHBondContact NH1-O 3.44Å; R38-I63 PolarHBondContact NH2-O 3.26Å; R38-E113 IonicContact CZ-OE1 3.18Å; R38-E113 IonicContact NE-OE1 2.91Å; R38-E113 PolarHBondContact NE-OE1 3.16Å; R38-E113 IonicContact NH2-OE1 3.93Å; R38-E113 PolarHBondContact NH2-OE1 3.15Å; R38-E113 IonicContact NH2-OE2 3.15Å
39E92.8Very high89.1Confident108 Ų10865.1 Ų65.151%0.50534%0.336SS..Hα-helixtrans-60.2-42.9175.3-70.6164.6-174.700111.2K35 T36 I37 N42 A43K35-E39 WeakPolarHBondContact CE-OE1 3.16Å; K35-E39 WeakPolarHBondContact O-CG 3.41Å; K35-E39 PolarHBondContact O-N 2.87Å; K35-E39 VanDerWaalsContact O-N 3.09Å; T36-E39 PolarHBondContact O-N 2.87Å; I37-E39 PolarHBondContact O-N 3.36Å; E39-N42 PolarHBondContact O-N 3.19Å; E39-A43 PolarHBondContact O-N 3.43Å; E39-A43 VanDerWaalsContact O-N 3.16Å
40K93.1Very high88.5Confident67 Ų6766.6 Ų66.629%0.29135%0.345SS..Hα-helixtrans-66.5-41.2174.9-76.4178.3170.1-80.90113.1T36 I37 R38 N42 A43 A44 E99 I100 L103T36-K40 PolarHBondContact O-N 3.25Å; T36-K40 VanDerWaalsContact O-N 3.13Å; I37-K40 PolarHBondContact O-N 2.84Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 2.91Å; K40-N42 VanDerWaalsContact C-N 3.33Å; K40-N42 PolarHBondContact O-N 2.7Å; K40-A43 PolarHBondContact O-N 2.8Å; K40-A44 WeakPolarHBondContact O-CB 3.21Å; K40-A44 PolarHBondContact O-N 3.43Å; K40-E99 WeakPolarHBondContact CE-OE1 3.38Å; K40-E99 IonicContact NZ-OE1 2.81Å; K40-E99 PolarHBondContact NZ-OE1 3.13Å; K40-E99 IonicContact NZ-OE2 2.69Å; K40-E99 PolarHBondContact NZ-OE2 3.14Å; K40-I100 HydrophobicContact CB-CD1 4.26Å; K40-I100 HydrophobicContact CB-CG1 3.9Å; K40-L103 HydrophobicContact CD-CD1 3.47Å; K40-L103 VanDerWaalsContact CD-CD1 3.47Å
41I91.4Very high87.9Confident1 Ų167.4 Ų67.41%0.00535%0.351CS..Hα-helixtrans-58.1-47.6174.1-72.3167.6000110I37 R38 A43 A44 I45 I63 W97 I100 Y104I37-I41 HydrophobicContact CG2-CD1 3.83Å; I37-I41 HydrophobicContact CG2-CG1 4.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.47Å; I37-I41 PolarHBondContact O-N 3.15Å; R38-I41 PolarHBondContact O-N 3.38Å; I41-A43 VanDerWaalsContact C-N 3.29Å; I41-A43 PolarHBondContact O-N 3.02Å; I41-A44 PolarHBondContact O-N 3.33Å; I41-I45 HydrophobicContact CG2-CD1 3.5Å; I41-I45 VanDerWaalsContact CG2-CD1 3.5Å; I41-I45 HydrophobicContact CG2-CG1 4.14Å; I41-I45 WeakPolarHBondContact O-CD1 3.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.24Å; I41-I45 PolarHBondContact O-N 3.08Å; I41-I63 HydrophobicContact CG2-CB 4.46Å; I41-I63 HydrophobicContact CG2-CD1 4.36Å; I41-I63 HydrophobicContact CG2-CG2 4.22Å; I41-W97 HydrophobicContact CG2-CH2 4.49Å; I41-I100 HydrophobicContact CD1-CG2 4.27Å; I41-I100 HydrophobicContact CG1-CD1 3.98Å; I41-I100 HydrophobicContact CG1-CG1 4.39Å; I41-I100 HydrophobicContact CG1-CG2 3.81Å; I41-Y104 HydrophobicContact CD1-CE2 3.99Å
42N89.9Confident87.4Confident99 Ų9968 Ų6853%0.52935%0.353SS..Hα-helixtrans-61.6-36.3-179.6-70.9-19.5000112.7R38 E39 K40R38-N42 VanDerWaalsContact O-CG 3.27Å; R38-N42 PolarHBondContact O-N 3.28Å; R38-N42 PolarHBondContact O-ND2 2.92Å; E39-N42 PolarHBondContact O-N 3.19Å; K40-N42 VanDerWaalsContact C-N 3.33Å; K40-N42 PolarHBondContact O-N 2.7Å
43A90.4Very high86.9Confident68 Ų6867.9 Ų67.956%0.56235%0.345SS*.Hα-helixtrans-69.5-45.7173.500000111.8E39 K40 I41 I45 Q46E39-A43 PolarHBondContact O-N 3.43Å; E39-A43 VanDerWaalsContact O-N 3.16Å; K40-A43 PolarHBondContact O-N 2.8Å; I41-A43 VanDerWaalsContact C-N 3.29Å; I41-A43 PolarHBondContact O-N 3.02Å; A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.42Å; A43-Q46 WeakPolarHBondContact O-CB 3.5Å; A43-Q46 PolarHBondContact O-N 2.97Å
44A88.5Confident86.4Confident4 Ų465.6 Ų65.63%0.03333%0.33CS..Hα-helixtrans-70.4-24.6-176.800000113.7K40 I41 Q46 D47 D96 W97 I100K40-A44 WeakPolarHBondContact O-CB 3.21Å; K40-A44 PolarHBondContact O-N 3.43Å; I41-A44 PolarHBondContact O-N 3.33Å; A44-Q46 VanDerWaalsContact C-N 3.27Å; A44-Q46 PolarHBondContact O-N 3.45Å; A44-D47 PolarHBondContact O-N 3.36Å; A44-D96 HydrophobicContact CB-CB 4.26Å; A44-W97 HydrophobicContact CB-CZ2 4.16Å; A44-I100 HydrophobicContact CB-CD1 3.75Å
45I86.4Confident85.8Confident45 Ų4569.6 Ų69.623%0.23135%0.347CS..THydrogen-bonded Turntrans-66.4-27.9174.6-73.8164.9000112.1I41 A43 D47 M48 L58 I63 W97I41-I45 HydrophobicContact CG2-CD1 3.5Å; I41-I45 VanDerWaalsContact CG2-CD1 3.5Å; I41-I45 HydrophobicContact CG2-CG1 4.14Å; I41-I45 WeakPolarHBondContact O-CD1 3.44Å; I41-I45 WeakPolarHBondContact O-CG1 3.24Å; I41-I45 PolarHBondContact O-N 3.08Å; A43-I45 VanDerWaalsContact C-N 3.32Å; A43-I45 PolarHBondContact O-N 3.42Å; I45-D47 PolarHBondContact O-N 3.18Å; I45-M48 WeakPolarHBondContact O-CG 3.49Å; I45-L58 HydrophobicContact CD1-CD2 4.28Å; I45-L58 HydrophobicContact CG1-CD2 4.08Å; I45-I63 HydrophobicContact CD1-CD1 3.39Å; I45-I63 HydrophobicContact CG1-CD1 4.34Å; I45-W97 HydrophobicContact CG1-CH2 4.18Å; I45-W97 HydrophobicContact CG1-CZ2 4.07Å
46Q84.8Confident85.3Confident162 Ų16269.3 Ų69.376%0.75735%0.348SS*.THydrogen-bonded Turntrans-67.6-24-180-59-58.3-41.700112.5A43 A44A43-Q46 WeakPolarHBondContact O-CB 3.5Å; A43-Q46 PolarHBondContact O-N 2.97Å; A44-Q46 VanDerWaalsContact C-N 3.27Å; A44-Q46 PolarHBondContact O-N 3.45Å
47D81.6Confident84.6Confident73 Ų7367.7 Ų67.739%0.3934%0.336SS..SBendtrans-109.865.4177.6-177.814.4000110.4A44 I45 R93A44-D47 PolarHBondContact O-N 3.36Å; I45-D47 PolarHBondContact O-N 3.18Å; D47-R93 WeakPolarHBondContact O-CD 3.43Å; D47-R93 WeakPolarHBondContact O-CG 3.34Å; D47-R93 PolarHBondContact O-NE 3.35Å; D47-R93 IonicContact OD1-CZ 3.16Å; D47-R93 IonicContact OD1-NE 2.75Å; D47-R93 PolarHBondContact OD1-NE 2.88Å; D47-R93 IonicContact OD1-NH2 3.39Å; D47-R93 PolarHBondContact OD1-NH2 2.98Å
48M78.7Confident83.8Confident39 Ų3969.7 Ų69.719%0.19235%0.347CS..  trans-107.5138.3178-73.8-75.289.500113.2I45 I54 L58 I71 R93 W97I45-M48 WeakPolarHBondContact O-CG 3.49Å; M48-I54 HydrophobicContact SD-CG2 3.79Å; M48-L58 HydrophobicContact CG-CD1 3.97Å; M48-L58 HydrophobicContact SD-CD1 4.27Å; M48-I71 HydrophobicContact SD-CG2 4.35Å; M48-R93 HydrophobicContact CE-CG 3.75Å; M48-W97 HydrophobicContact CE-CZ2 3.94Å; M48-W97 HydrophobicContact SD-CZ2 3.86Å
49P74.4Confident82.7Confident31 Ų3170.8 Ų70.820%0.20136%0.361CS..  trans-72153.7174.229.4-28.9000110.6N51 I54 L75P49-N51 PolarHBondContact O-N 2.96Å; P49-I54 HydrophobicContact CG-CD1 3.9Å; P49-L75 HydrophobicContact CG-CD2 3.88Å
50E74.2Confident81.4Confident183 Ų18369.2 Ų69.286%0.85537%0.374SS*.SBendtrans-68.794.4170.8-67.7-172.2171.100110.1
51N80.2Confident80.1Confident39 Ų3967.2 Ų67.221%0.20937%0.368CS..  trans-138.2125.7175.7179.5-64.5000109P49 E53 I54 K55P49-N51 PolarHBondContact O-N 2.96Å; N51-E53 VanDerWaalsContact C-N 3.31Å; N51-E53 PolarHBondContact O-N 3.12Å; N51-E53 WeakPolarHBondContact OD1-CA 3.22Å; N51-E53 VanDerWaalsContact OD1-CB 3.28Å; N51-E53 WeakPolarHBondContact OD1-CB 3.43Å; N51-E53 PolarHBondContact OD1-N 2.9Å; N51-I54 HydrophobicContact CB-CB 4.1Å; N51-I54 HydrophobicContact CB-CD1 3.98Å; N51-I54 HydrophobicContact CB-CG1 4.04Å; N51-I54 PolarHBondContact O-N 3.21Å; N51-I54 PolarHBondContact OD1-N 3.45Å; N51-I54 VanDerWaalsContact OD1-N 3.08Å; N51-K55 WeakPolarHBondContact O-CG 3.36Å; N51-K55 PolarHBondContact O-N 3.01Å
52E80.5Confident79.6Confident118 Ų11870.7 Ų70.755%0.55138%0.384SS*.Hα-helixtrans-64.4-33.3-175.7-68.4-54.1131.600113.2K55 Q56E52-K55 PolarHBondContact O-N 2.89Å; E52-K55 IonicContact OE1-NZ 3.03Å; E52-K55 PolarHBondContact OE1-NZ 2.88Å; E52-Q56 WeakPolarHBondContact O-CB 3.4Å; E52-Q56 VanDerWaalsContact O-CG 3.28Å; E52-Q56 WeakPolarHBondContact O-CG 3.33Å; E52-Q56 PolarHBondContact O-N 2.66Å
53E81.2Confident79.5Confident74 Ų7466.6 Ų66.635%0.34636%0.362SS..Hα-helixtrans-69.9-40.8175.9-167.5-180173.400111.2N51 Q56 L57 R70 I74N51-E53 VanDerWaalsContact C-N 3.31Å; N51-E53 PolarHBondContact O-N 3.12Å; N51-E53 WeakPolarHBondContact OD1-CA 3.22Å; N51-E53 VanDerWaalsContact OD1-CB 3.28Å; N51-E53 WeakPolarHBondContact OD1-CB 3.43Å; N51-E53 PolarHBondContact OD1-N 2.9Å; E53-Q56 PolarHBondContact O-N 3.1Å; E53-L57 HydrophobicContact CG-CD1 4.42Å; E53-L57 VanDerWaalsContact O-CG 3.26Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 3.37Å; E53-R70 IonicContact OE1-CZ 3.54Å; E53-R70 IonicContact OE1-NE 3.74Å; E53-R70 PolarHBondContact OE1-NE 2.68Å; E53-R70 IonicContact OE1-NH2 3.73Å; E53-R70 PolarHBondContact OE1-NH2 2.9Å; E53-R70 IonicContact OE2-NH2 2.66Å; E53-R70 PolarHBondContact OE2-NH2 3.03Å; E53-I74 HydrophobicContact CB-CD1 4.12Å; E53-I74 HydrophobicContact CG-CD1 3.83Å
54I80.8Confident79.5Confident2 Ų264 Ų641%0.0134%0.338CS..Hα-helixtrans-63.9-44.1173.5-65.4178.9000110.3M48 P49 N51 Q56 L57 L58 I74 L75M48-I54 HydrophobicContact SD-CG2 3.79Å; P49-I54 HydrophobicContact CG-CD1 3.9Å; N51-I54 HydrophobicContact CB-CB 4.1Å; N51-I54 HydrophobicContact CB-CD1 3.98Å; N51-I54 HydrophobicContact CB-CG1 4.04Å; N51-I54 PolarHBondContact O-N 3.21Å; N51-I54 PolarHBondContact OD1-N 3.45Å; N51-I54 VanDerWaalsContact OD1-N 3.08Å; I54-Q56 VanDerWaalsContact C-N 3.3Å; I54-Q56 PolarHBondContact O-N 3.35Å; I54-L57 PolarHBondContact O-N 3.44Å; I54-L58 HydrophobicContact CG2-CD1 3.62Å; I54-L58 HydrophobicContact CG2-CG 4.14Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.08Å; I54-I74 HydrophobicContact CD1-CB 4.34Å; I54-I74 HydrophobicContact CD1-CG2 3.78Å; I54-I74 HydrophobicContact CG1-CB 4.4Å; I54-I74 HydrophobicContact CG1-CD1 3.87Å; I54-I74 HydrophobicContact CG1-CG2 3.99Å; I54-L75 HydrophobicContact CD1-CD2 4.45Å
55K80.4Confident79.7Confident99 Ų9964.6 Ų64.643%0.4334%0.34SS..Hα-helixtrans-58-42.1175.1-72177.2-171.1169.80111.7N51 E52 L58 S59N51-K55 WeakPolarHBondContact O-CG 3.36Å; N51-K55 PolarHBondContact O-N 3.01Å; E52-K55 PolarHBondContact O-N 2.89Å; E52-K55 IonicContact OE1-NZ 3.03Å; E52-K55 PolarHBondContact OE1-NZ 2.88Å; K55-L58 PolarHBondContact O-N 2.84Å; K55-S59 VanDerWaalsContact O-CB 3.28Å; K55-S59 WeakPolarHBondContact O-CB 3.27Å; K55-S59 PolarHBondContact O-N 3.4Å
56Q81.6Confident79.9Confident131 Ų13164.4 Ų64.461%0.61234%0.337SS*.Hα-helixtrans-64-46.1176-75.3175.18.300112.2E52 E53 I54 L58 S59E52-Q56 WeakPolarHBondContact O-CB 3.4Å; E52-Q56 VanDerWaalsContact O-CG 3.28Å; E52-Q56 WeakPolarHBondContact O-CG 3.33Å; E52-Q56 PolarHBondContact O-N 2.66Å; E53-Q56 PolarHBondContact O-N 3.1Å; I54-Q56 VanDerWaalsContact C-N 3.3Å; I54-Q56 PolarHBondContact O-N 3.35Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.34Å; Q56-S59 PolarHBondContact O-N 3.3Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; Q56-S59 PolarHBondContact O-OG 3.38Å
57L80.3Confident80.2Confident36 Ų3658.2 Ų58.219%0.18831%0.308CS..Hα-helixtrans-61.8-35177.9-69.5166.2000112.4E53 I54 S61 R70 I71 I74E53-L57 HydrophobicContact CG-CD1 4.42Å; E53-L57 VanDerWaalsContact O-CG 3.26Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 3.37Å; I54-L57 PolarHBondContact O-N 3.44Å; L57-S61 PolarHBondContact O-OG 2.85Å; L57-R70 HydrophobicContact CD1-CB 4.11Å; L57-R70 HydrophobicContact CD1-CG 3.62Å; L57-R70 HydrophobicContact CD2-CG 4.42Å; L57-I71 HydrophobicContact CD1-CG1 4.28Å; L57-I74 HydrophobicContact CD1-CD1 3.86Å
58L77.2Confident80.7Confident42 Ų4254.7 Ų54.722%0.2229%0.29CS..Hα-helixtrans-83.4-14.3178-62176.5000113.1I45 M48 I54 K55 Q56 G60 I63 I71I45-L58 HydrophobicContact CD1-CD2 4.28Å; I45-L58 HydrophobicContact CG1-CD2 4.08Å; M48-L58 HydrophobicContact CG-CD1 3.97Å; M48-L58 HydrophobicContact SD-CD1 4.27Å; I54-L58 HydrophobicContact CG2-CD1 3.62Å; I54-L58 HydrophobicContact CG2-CG 4.14Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.45Å; I54-L58 PolarHBondContact O-N 3.08Å; K55-L58 PolarHBondContact O-N 2.84Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.34Å; L58-G60 PolarHBondContact O-N 3.5Å; L58-I63 HydrophobicContact CD2-CD1 3.32Å; L58-I63 HydrophobicContact CD2-CG1 4.08Å; L58-I71 HydrophobicContact CD2-CD1 4.03Å
59S69.3Low81.3Confident66 Ų6655.7 Ų55.746%0.46230%0.296SS..SBendtrans-78.3116.8-176.270.10000112.7K55 Q56 S61 R478K55-S59 VanDerWaalsContact O-CB 3.28Å; K55-S59 WeakPolarHBondContact O-CB 3.27Å; K55-S59 PolarHBondContact O-N 3.4Å; Q56-S59 PolarHBondContact O-N 3.3Å; Q56-S59 VanDerWaalsContact O-N 3.13Å; Q56-S59 PolarHBondContact O-OG 3.38Å; S59-S61 PolarHBondContact O-N 2.95Å; S59-R478 PolarHBondContact O-NH2 3.32Å
60G63.8Low82.1Confident75 Ų7558.6 Ų58.677%0.77330%0.302SS*.SBendtrans57.822.916800000115.5L58 R478L58-G60 PolarHBondContact O-N 3.5Å; G60-R478 PolarHBondContact O-NH1 3.16Å; G60-R478 PolarHBondContact O-NH2 2.9Å
61S65.9Low82.8Confident25 Ų2549.9 Ų49.918%0.17526%0.262CS..SBendtrans-120.4150.4-175.277.20000111.2L57 S59 I63L57-S61 PolarHBondContact O-OG 2.85Å; S59-S61 PolarHBondContact O-N 2.95Å; S61-I63 PolarHBondContact O-N 2.91Å
62H81.3Confident83.2Confident74 Ų7448.4 Ų48.434%0.34325%0.254SS..  trans-79100.8167.4-171.168.2000108.5R38 H64 E113R38-H62 PolarHBondContact NE-CE1 3.04Å; R38-H62 PolarHBondContact NH2-CD2 3.4Å; R38-H62 PolarHBondContact NH2-CE1 2.9Å; R38-H62 PolarHBondContact NH2-NE2 3.13Å; H62-H64 PolarHBondContact O-CD2 3.48Å; H62-H64 PolarHBondContact O-N 2.94Å; H62-E113 IonicContact NE2-OE1 2.73Å
63I87.7Confident83.6Confident13 Ų1347.8 Ų47.87%0.06725%0.251CS..  trans-66.1101.8-173.9-60161.5000110.2R38 I41 I45 L58 S61 H67R38-I63 PolarHBondContact NH1-O 3.44Å; R38-I63 PolarHBondContact NH2-O 3.26Å; I41-I63 HydrophobicContact CG2-CB 4.46Å; I41-I63 HydrophobicContact CG2-CD1 4.36Å; I41-I63 HydrophobicContact CG2-CG2 4.22Å; I45-I63 HydrophobicContact CD1-CD1 3.39Å; I45-I63 HydrophobicContact CG1-CD1 4.34Å; L58-I63 HydrophobicContact CD2-CD1 3.32Å; L58-I63 HydrophobicContact CD2-CG1 4.08Å; S61-I63 PolarHBondContact O-N 2.91Å; I63-H67 HydrophobicContact CG2-CB 4.05Å
64H90.8Very high83.8Confident12 Ų1245 Ų456%0.05624%0.238CC..  trans-104.6176.4174.657.462.5000112.4H62 F66 H67 C68 V114 L482H62-H64 PolarHBondContact O-CD2 3.48Å; H62-H64 PolarHBondContact O-N 2.94Å; H64-F66 AromaticContact ND1-CD2 3.9Å; H64-F66 PolarHBondContact ND1-N 3.02Å; H64-F66 PolarHBondContact O-N 3.35Å; H64-F66 VanDerWaalsContact O-N 3.12Å; H64-H67 AromaticContact CD2-CE1 3.46Å; H64-H67 PolarHBondContact CD2-CE1 3.22Å; H64-H67 VanDerWaalsContact CD2-CE1 3.46Å; H64-H67 AromaticContact CD2-ND1 3.48Å; H64-H67 PolarHBondContact CD2-ND1 3.24Å; H64-H67 AromaticContact CE1-CE1 3.3Å; H64-H67 PolarHBondContact CE1-CE1 3.39Å; H64-H67 AromaticContact CE1-ND1 3.19Å; H64-H67 PolarHBondContact CE1-ND1 2.86Å; H64-H67 AromaticContact CG-CE1 3.96Å; H64-H67 AromaticContact CG-ND1 3.49Å; H64-H67 PolarHBondContact N-ND1 3.03Å; H64-H67 AromaticContact ND1-CE1 3.85Å; H64-H67 AromaticContact ND1-ND1 3.3Å; H64-H67 PolarHBondContact ND1-ND1 3.45Å; H64-H67 AromaticContact NE2-CE1 3.01Å; H64-H67 PolarHBondContact NE2-CE1 3.4Å; H64-H67 AromaticContact NE2-ND1 3.3Å; H64-H67 PolarHBondContact NE2-ND1 3.05Å; H64-H67 WeakPolarHBondContact O-CA 3.41Å; H64-H67 VanDerWaalsContact O-CB 3.3Å; H64-H67 WeakPolarHBondContact O-CB 3.5Å; H64-H67 PolarHBondContact O-N 2.91Å; H64-C68 PolarHBondContact O-N 3.35Å; H64-V114 HydrophobicContact CB-CG1 4.05Å; H64-L482 WeakPolarHBondContact NE2-CD2 3.3Å
65Y93.5Very high84Confident18 Ų1844.9 Ų44.97%0.07124%0.238CC..Hα-helixtrans-39.3-51.6-179173.4-111.8000116.5H67 C68 L69 V101 Y104 E105 Y110Y65-H67 VanDerWaalsContact C-N 3.26Å; Y65-H67 PolarHBondContact O-N 3.47Å; Y65-C68 CarbonylContact O-C 3.35Å; Y65-C68 WeakPolarHBondContact O-CA 3.21Å; Y65-C68 VanDerWaalsContact O-CB 3.28Å; Y65-C68 WeakPolarHBondContact O-CB 3.47Å; Y65-C68 PolarHBondContact O-N 3.33Å; Y65-L69 HydrophobicContact CD1-CD1 4.06Å; Y65-L69 HydrophobicContact CD1-CG 4.41Å; Y65-L69 HydrophobicContact CD2-CG 4.34Å; Y65-L69 HydrophobicContact CE1-CD1 3.39Å; Y65-L69 HydrophobicContact CE1-CG 3.97Å; Y65-L69 HydrophobicContact CE2-CD1 4.2Å; Y65-L69 HydrophobicContact CE2-CD2 3.98Å; Y65-L69 HydrophobicContact CE2-CG 3.9Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.48Å; Y65-L69 PolarHBondContact O-N 3.37Å; Y65-V101 HydrophobicContact CE2-CG1 4.05Å; Y65-Y104 VanDerWaalsContact CD2-CB 3.47Å; Y65-Y104 HydrophobicContact CD2-CD2 4.06Å; Y65-Y104 AromaticContact CD2-CG 3.89Å; Y65-Y104 HydrophobicContact CD2-CG 3.89Å; Y65-Y104 HydrophobicContact CG-CG 4.37Å; Y65-E105 HydrophobicContact CE2-CG 3.76Å; Y65-E105 PolarHBondContact OH-OE1 2.75Å; Y65-Y110 HydrophobicContact CD1-CD1 4.22Å; Y65-Y110 AromaticContact CD1-CD2 3.51Å; Y65-Y110 HydrophobicContact CD1-CD2 3.51Å; Y65-Y110 HydrophobicContact CD1-CE2 4.18Å; Y65-Y110 AromaticContact CD1-CG 3.54Å; Y65-Y110 HydrophobicContact CD1-CG 3.54Å; Y65-Y110 HydrophobicContact CD2-CG 4.29Å; Y65-Y110 HydrophobicContact CE1-CD1 4.16Å; Y65-Y110 AromaticContact CE1-CD2 3.83Å; Y65-Y110 HydrophobicContact CE1-CD2 3.83Å; Y65-Y110 HydrophobicContact CE1-CE1 4.36Å; Y65-Y110 HydrophobicContact CE1-CE2 4.06Å; Y65-Y110 AromaticContact CE1-CG 3.9Å; Y65-Y110 HydrophobicContact CE1-CG 3.9Å; Y65-Y110 HydrophobicContact CE2-CD1 4.44Å; Y65-Y110 HydrophobicContact CG-CD1 4.37Å; Y65-Y110 HydrophobicContact CG-CD2 4.17Å; Y65-Y110 AromaticContact CG-CG 3.75Å; Y65-Y110 HydrophobicContact CG-CG 3.75Å
66F90.7Very high84.1Confident40 Ų4044.7 Ų44.718%0.17524%0.237CC..Hα-helixtrans-62.7-30.9-179-59.8-75.2000113.6H64 L69 R70 Y110 V114 L485H64-F66 AromaticContact ND1-CD2 3.9Å; H64-F66 PolarHBondContact ND1-N 3.02Å; H64-F66 PolarHBondContact O-N 3.35Å; H64-F66 VanDerWaalsContact O-N 3.12Å; F66-L69 HydrophobicContact CD1-CD1 4.26Å; F66-R70 PolarHBondContact O-N 3.15Å; F66-R70 VanDerWaalsContact O-N 3.11Å; F66-Y110 HydrophobicContact CZ-CD2 4.42Å; F66-Y110 HydrophobicContact CZ-CE2 4.46Å; F66-V114 HydrophobicContact CD2-CG1 4.09Å; F66-V114 HydrophobicContact CE2-CG1 4.03Å; F66-V114 HydrophobicContact CE2-CG2 4.19Å; F66-L485 HydrophobicContact CB-CD1 4.12Å; F66-L485 HydrophobicContact CD1-CD1 4.38Å; F66-L485 HydrophobicContact CD1-CD2 4.05Å; F66-L485 HydrophobicContact CD2-CB 4.2Å; F66-L485 HydrophobicContact CD2-CD1 3.71Å; F66-L485 HydrophobicContact CD2-CG 4.41Å; F66-L485 HydrophobicContact CE1-CB 4.37Å; F66-L485 HydrophobicContact CE1-CD2 4.16Å; F66-L485 HydrophobicContact CE2-CB 3.79Å; F66-L485 HydrophobicContact CE2-CD1 4.18Å; F66-L485 HydrophobicContact CE2-CG 4.46Å; F66-L485 HydrophobicContact CG-CD1 3.82Å; F66-L485 HydrophobicContact CG-CD2 4.32Å; F66-L485 HydrophobicContact CG-CG 4.5Å; F66-L485 HydrophobicContact CZ-CB 3.89Å
67H90.4Very high83.8Confident32 Ų3241.3 Ų41.315%0.14824%0.237CC..Hα-helixtrans-67.3-43.8169.8-59.1109.3000110.5I63 H64 Y65 L69 R70 I71I63-H67 HydrophobicContact CG2-CB 4.05Å; H64-H67 AromaticContact CD2-CE1 3.46Å; H64-H67 PolarHBondContact CD2-CE1 3.22Å; H64-H67 VanDerWaalsContact CD2-CE1 3.46Å; H64-H67 AromaticContact CD2-ND1 3.48Å; H64-H67 PolarHBondContact CD2-ND1 3.24Å; H64-H67 AromaticContact CE1-CE1 3.3Å; H64-H67 PolarHBondContact CE1-CE1 3.39Å; H64-H67 AromaticContact CE1-ND1 3.19Å; H64-H67 PolarHBondContact CE1-ND1 2.86Å; H64-H67 AromaticContact CG-CE1 3.96Å; H64-H67 AromaticContact CG-ND1 3.49Å; H64-H67 PolarHBondContact N-ND1 3.03Å; H64-H67 AromaticContact ND1-CE1 3.85Å; H64-H67 AromaticContact ND1-ND1 3.3Å; H64-H67 PolarHBondContact ND1-ND1 3.45Å; H64-H67 AromaticContact NE2-CE1 3.01Å; H64-H67 PolarHBondContact NE2-CE1 3.4Å; H64-H67 AromaticContact NE2-ND1 3.3Å; H64-H67 PolarHBondContact NE2-ND1 3.05Å; H64-H67 WeakPolarHBondContact O-CA 3.41Å; H64-H67 VanDerWaalsContact O-CB 3.3Å; H64-H67 WeakPolarHBondContact O-CB 3.5Å; H64-H67 PolarHBondContact O-N 2.91Å; Y65-H67 VanDerWaalsContact C-N 3.26Å; Y65-H67 PolarHBondContact O-N 3.47Å; H67-L69 VanDerWaalsContact C-N 3.3Å; H67-L69 PolarHBondContact O-N 3.3Å; H67-R70 PolarHBondContact O-N 2.88Å; H67-R70 VanDerWaalsContact O-N 3.15Å; H67-I71 VanDerWaalsContact O-CG1 3.26Å; H67-I71 WeakPolarHBondContact O-CG1 3.44Å; H67-I71 PolarHBondContact O-N 3.27Å
68C91.8Very high83.4Confident0 Ų043.2 Ų43.20%025%0.25CS..Hα-helixtrans-59.4-40.4176-51.20000111.8H64 Y65 I71 V72 W97 I100 V101H64-C68 PolarHBondContact O-N 3.35Å; Y65-C68 CarbonylContact O-C 3.35Å; Y65-C68 WeakPolarHBondContact O-CA 3.21Å; Y65-C68 VanDerWaalsContact O-CB 3.28Å; Y65-C68 WeakPolarHBondContact O-CB 3.47Å; Y65-C68 PolarHBondContact O-N 3.33Å; C68-I71 PolarHBondContact O-N 3Å; C68-V72 WeakPolarHBondContact O-CB 3.42Å; C68-V72 VanDerWaalsContact O-CG2 3.32Å; C68-V72 WeakPolarHBondContact O-CG2 3.5Å; C68-V72 PolarHBondContact O-N 3.41Å; C68-W97 HydrophobicContact CB-CE3 4.09Å; C68-W97 HydrophobicContact CB-CZ3 4.09Å; C68-I100 HydrophobicContact CB-CG2 4.3Å; C68-V101 HydrophobicContact CB-CG2 4Å
69L91.9Very high83Confident60 Ų6042.3 Ų42.331%0.31425%0.245SC..Hα-helixtrans-60.5-45.8173.9-76-177.5000111.9Y65 F66 H67 V72 E73 V101Y65-L69 HydrophobicContact CD1-CD1 4.06Å; Y65-L69 HydrophobicContact CD1-CG 4.41Å; Y65-L69 HydrophobicContact CD2-CG 4.34Å; Y65-L69 HydrophobicContact CE1-CD1 3.39Å; Y65-L69 HydrophobicContact CE1-CG 3.97Å; Y65-L69 HydrophobicContact CE2-CD1 4.2Å; Y65-L69 HydrophobicContact CE2-CD2 3.98Å; Y65-L69 HydrophobicContact CE2-CG 3.9Å; Y65-L69 VanDerWaalsContact CZ-CD1 3.48Å; Y65-L69 PolarHBondContact O-N 3.37Å; F66-L69 HydrophobicContact CD1-CD1 4.26Å; H67-L69 VanDerWaalsContact C-N 3.3Å; H67-L69 PolarHBondContact O-N 3.3Å; L69-V72 PolarHBondContact O-N 2.91Å; L69-E73 PolarHBondContact O-N 3.16Å; L69-V101 HydrophobicContact CD2-CG1 3.8Å; L69-V101 HydrophobicContact CD2-CG2 4.16Å
70R90.1Very high82.6Confident91 Ų9141.9 Ų41.934%0.34325%0.246SC..Hα-helixtrans-65.3-41.1178.5-17460.1-179.3166.92.1111.7E53 L57 F66 H67 V72 E73 I74E53-R70 IonicContact OE1-CZ 3.54Å; E53-R70 IonicContact OE1-NE 3.74Å; E53-R70 PolarHBondContact OE1-NE 2.68Å; E53-R70 IonicContact OE1-NH2 3.73Å; E53-R70 PolarHBondContact OE1-NH2 2.9Å; E53-R70 IonicContact OE2-NH2 2.66Å; E53-R70 PolarHBondContact OE2-NH2 3.03Å; L57-R70 HydrophobicContact CD1-CB 4.11Å; L57-R70 HydrophobicContact CD1-CG 3.62Å; L57-R70 HydrophobicContact CD2-CG 4.42Å; F66-R70 PolarHBondContact O-N 3.15Å; F66-R70 VanDerWaalsContact O-N 3.11Å; H67-R70 PolarHBondContact O-N 2.88Å; H67-R70 VanDerWaalsContact O-N 3.15Å; R70-V72 PolarHBondContact O-N 2.98Å; R70-E73 IonicContact CZ-OE2 3.32Å; R70-E73 VanDerWaalsContact NH1-CD 3.27Å; R70-E73 IonicContact NH1-OE1 3.9Å; R70-E73 IonicContact NH1-OE2 3.43Å; R70-E73 PolarHBondContact NH1-OE2 3.28Å; R70-E73 WeakPolarHBondContact O-CB 3.27Å; R70-E73 PolarHBondContact O-N 3.06Å; R70-I74 HydrophobicContact CG-CD1 4.1Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.27Å; R70-I74 PolarHBondContact O-N 2.81Å
71I88.9Confident82.1Confident0 Ų044.1 Ų44.10%025%0.25CC..Hα-helixtrans-59.3-48.2174.2-67.3166.9000110.1M48 L57 L58 H67 C68 E73 I74 L75 W97M48-I71 HydrophobicContact SD-CG2 4.35Å; L57-I71 HydrophobicContact CD1-CG1 4.28Å; L58-I71 HydrophobicContact CD2-CD1 4.03Å; H67-I71 VanDerWaalsContact O-CG1 3.26Å; H67-I71 WeakPolarHBondContact O-CG1 3.44Å; H67-I71 PolarHBondContact O-N 3.27Å; C68-I71 PolarHBondContact O-N 3Å; I71-E73 VanDerWaalsContact C-N 3.28Å; I71-E73 PolarHBondContact O-N 2.7Å; I71-I74 PolarHBondContact O-N 3.38Å; I71-L75 HydrophobicContact CG2-CD1 4Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 2.95Å; I71-W97 HydrophobicContact CB-CE3 4.27Å; I71-W97 HydrophobicContact CB-CZ3 4.38Å; I71-W97 HydrophobicContact CD1-CE3 4.22Å; I71-W97 HydrophobicContact CD1-CH2 3.46Å; I71-W97 VanDerWaalsContact CD1-CH2 3.46Å; I71-W97 HydrophobicContact CD1-CZ2 4.17Å; I71-W97 HydrophobicContact CD1-CZ3 3.49Å; I71-W97 VanDerWaalsContact CD1-CZ3 3.49Å; I71-W97 HydrophobicContact CG2-CD2 3.81Å; I71-W97 HydrophobicContact CG2-CE3 3.97Å; I71-W97 HydrophobicContact CG2-CG 4.24Å; I71-W97 HydrophobicContact CG2-CH2 4.45Å; I71-W97 HydrophobicContact CG2-CZ2 4.32Å; I71-W97 HydrophobicContact CG2-CZ3 4.28Å
72V89.6Confident81.8Confident8 Ų844.2 Ų44.25%0.04825%0.25CS..Hα-helixtrans-59.9-38.6175.9168.30000111.7C68 L69 R70 L75 K76 M94 W97 V101C68-V72 WeakPolarHBondContact O-CB 3.42Å; C68-V72 VanDerWaalsContact O-CG2 3.32Å; C68-V72 WeakPolarHBondContact O-CG2 3.5Å; C68-V72 PolarHBondContact O-N 3.41Å; L69-V72 PolarHBondContact O-N 2.91Å; R70-V72 PolarHBondContact O-N 2.98Å; V72-L75 PolarHBondContact O-N 3.22Å; V72-K76 VanDerWaalsContact O-CG 3.3Å; V72-K76 WeakPolarHBondContact O-CG 3.39Å; V72-K76 PolarHBondContact O-N 3.35Å; V72-M94 HydrophobicContact CG1-CE 3.9Å; V72-M94 HydrophobicContact CG1-SD 4.33Å; V72-W97 HydrophobicContact CG2-CB 3.66Å; V72-V101 HydrophobicContact CG2-CG2 3.96Å
73E89Confident80.7Confident106 Ų10645.8 Ų45.850%0.49526%0.256SS..Hα-helixtrans-64.6-45.6175.9-171.1-179.6-16400112.4L69 R70 I71 L75 K76 G77L69-E73 PolarHBondContact O-N 3.16Å; R70-E73 IonicContact CZ-OE2 3.32Å; R70-E73 VanDerWaalsContact NH1-CD 3.27Å; R70-E73 IonicContact NH1-OE1 3.9Å; R70-E73 IonicContact NH1-OE2 3.43Å; R70-E73 PolarHBondContact NH1-OE2 3.28Å; R70-E73 WeakPolarHBondContact O-CB 3.27Å; R70-E73 PolarHBondContact O-N 3.06Å; I71-E73 VanDerWaalsContact C-N 3.28Å; I71-E73 PolarHBondContact O-N 2.7Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.19Å; E73-K76 WeakPolarHBondContact O-CB 3.2Å; E73-K76 PolarHBondContact O-N 3.32Å; E73-G77 PolarHBondContact O-N 3.23Å
74I85.6Confident79.3Confident15 Ų1549.4 Ų49.48%0.07728%0.276CS..Hα-helixtrans-61.1-45.2175.8-64.7163.2000110.1E53 I54 L57 R70 I71 K76 G77 T78E53-I74 HydrophobicContact CB-CD1 4.12Å; E53-I74 HydrophobicContact CG-CD1 3.83Å; I54-I74 HydrophobicContact CD1-CB 4.34Å; I54-I74 HydrophobicContact CD1-CG2 3.78Å; I54-I74 HydrophobicContact CG1-CB 4.4Å; I54-I74 HydrophobicContact CG1-CD1 3.87Å; I54-I74 HydrophobicContact CG1-CG2 3.99Å; L57-I74 HydrophobicContact CD1-CD1 3.86Å; R70-I74 HydrophobicContact CG-CD1 4.1Å; R70-I74 VanDerWaalsContact O-CG1 3.31Å; R70-I74 WeakPolarHBondContact O-CG1 3.27Å; R70-I74 PolarHBondContact O-N 2.81Å; I71-I74 PolarHBondContact O-N 3.38Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 PolarHBondContact O-N 3.2Å; I74-G77 WeakPolarHBondContact O-CA 3.41Å; I74-G77 PolarHBondContact O-N 3.36Å; I74-T78 HydrophobicContact CG2-CG2 4.25Å; I74-T78 PolarHBondContact O-N 2.69Å; I74-T78 PolarHBondContact O-OG1 2.96Å
75L83.5Confident77.3Confident0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-60.8-36177.8-69.1176.8000112.6P49 I54 I71 V72 E73 G77 T78 E79 R93 M94 W97P49-L75 HydrophobicContact CG-CD2 3.88Å; I54-L75 HydrophobicContact CD1-CD2 4.45Å; I71-L75 HydrophobicContact CG2-CD1 4Å; I71-L75 HydrophobicContact CG2-CG 4.34Å; I71-L75 WeakPolarHBondContact O-CB 3.44Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.28Å; I71-L75 PolarHBondContact O-N 2.95Å; V72-L75 PolarHBondContact O-N 3.22Å; E73-L75 VanDerWaalsContact C-N 3.34Å; E73-L75 PolarHBondContact O-N 3.19Å; L75-G77 VanDerWaalsContact C-N 3.25Å; L75-G77 PolarHBondContact O-N 2.66Å; L75-T78 WeakPolarHBondContact CA-OG1 3.35Å; L75-T78 PolarHBondContact O-N 3.44Å; L75-T78 PolarHBondContact O-OG1 3.31Å; L75-E79 VanDerWaalsContact O-CB 3.31Å; L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 PolarHBondContact O-N 3.13Å; L75-R93 HydrophobicContact CD1-CG 4.02Å; L75-R93 HydrophobicContact CD2-CG 4.41Å; L75-M94 HydrophobicContact CB-SD 3.91Å; L75-M94 HydrophobicContact CD1-SD 4.46Å; L75-W97 HydrophobicContact CD1-CB 4.37Å; L75-W97 HydrophobicContact CD1-CG 4.24Å
76K82.8Confident75.3Confident94 Ų9465.2 Ų65.241%0.40935%0.351SS..Hα-helixtrans-60.8-35.6173.2-72.3168.8-175.3168.30112.2V72 E73 I74 Y89 M94V72-K76 VanDerWaalsContact O-CG 3.3Å; V72-K76 WeakPolarHBondContact O-CG 3.39Å; V72-K76 PolarHBondContact O-N 3.35Å; E73-K76 WeakPolarHBondContact O-CB 3.2Å; E73-K76 PolarHBondContact O-N 3.32Å; I74-K76 VanDerWaalsContact C-N 3.3Å; I74-K76 PolarHBondContact O-N 3.2Å; K76-Y89 HydrophobicContact CG-CE2 4.32Å; K76-M94 HydrophobicContact CD-CE 4.35Å; K76-M94 HydrophobicContact CG-CE 3.48Å; K76-M94 VanDerWaalsContact CG-CE 3.48Å
77G75.8Confident73.8Confident60 Ų6065.7 Ų65.762%0.61937%0.367SS*.Hα-helixtrans-75.1-43.2177.500000112.8E73 I74 L75E73-G77 PolarHBondContact O-N 3.23Å; I74-G77 WeakPolarHBondContact O-CA 3.41Å; I74-G77 PolarHBondContact O-N 3.36Å; L75-G77 VanDerWaalsContact C-N 3.25Å; L75-G77 PolarHBondContact O-N 2.66Å
78T72.5Confident72.4Confident76 Ų7673.6 Ų73.647%0.46640%0.396SS..Hα-helixtrans-80.5-26.5-176.356.50000113.8I74 L75I74-T78 HydrophobicContact CG2-CG2 4.25Å; I74-T78 PolarHBondContact O-N 2.69Å; I74-T78 PolarHBondContact O-OG1 2.96Å; L75-T78 WeakPolarHBondContact CA-OG1 3.35Å; L75-T78 PolarHBondContact O-N 3.44Å; L75-T78 PolarHBondContact O-OG1 3.31Å
79E67.9Low71Confident24 Ų2475.4 Ų75.411%0.11240%0.403CS..THydrogen-bonded Turntrans-111.222.5-175.9-55.9-173.7174.100113.1L75 S81 S82 S91 R93L75-E79 VanDerWaalsContact O-CB 3.31Å; L75-E79 WeakPolarHBondContact O-CB 3.43Å; L75-E79 PolarHBondContact O-N 3.13Å; E79-S81 PolarHBondContact O-N 2.99Å; E79-S82 PolarHBondContact O-N 3.01Å; E79-S82 PolarHBondContact O-OG 2.99Å; E79-S91 VanDerWaalsContact OE2-CB 3.28Å; E79-S91 WeakPolarHBondContact OE2-CB 3.38Å; E79-S91 PolarHBondContact OE2-OG 3.26Å; E79-R93 WeakPolarHBondContact OE1-CD 3.31Å; E79-R93 IonicContact OE1-CZ 2.96Å; E79-R93 IonicContact OE1-NH1 3.75Å; E79-R93 PolarHBondContact OE1-NH1 3.02Å
80A60.3Low69.6Low57 Ų5774.6 Ų74.647%0.47140%0.402SS..THydrogen-bonded Turntrans-56.1-23.1-17500000114.8
81S54.8Low69.1Low122 Ų12271.5 Ų71.585%0.85340%0.395SS*.THydrogen-bonded Turntrans-83.9-7.7178.2540000114.8E79 K83E79-S81 PolarHBondContact O-N 2.99Å; S81-K83 PolarHBondContact O-N 3.32Å
82S59Low68.8Low27 Ų2776.8 Ų76.819%0.18942%0.419CS..  trans-9938.1-174.970.70000113.9E79 Y89 S90E79-S82 PolarHBondContact O-N 3.01Å; E79-S82 PolarHBondContact O-OG 2.99Å; S82-Y89 WeakPolarHBondContact O-CA 3.39Å; S82-S90 PolarHBondContact O-N 3.26Å; S82-S90 PolarHBondContact O-OG 3.43Å
83K58.4Low68.5Low107 Ų10778.6 Ų78.647%0.46543%0.425SS..BIsolated β-bridgetrans-93.6126.9176.5-67.4-178.5-178.9176.40110.3S81 R88 Y89S81-K83 PolarHBondContact O-N 3.32Å; K83-R88 WeakPolarHBondContact CA-O 3.33Å; K83-Y89 HydrophobicContact CD-CE1 4.29Å; K83-Y89 VanDerWaalsContact CE-OH 3.25Å; K83-Y89 WeakPolarHBondContact CE-OH 3.42Å; K83-Y89 HydrophobicContact CG-CD1 4.01Å; K83-Y89 HydrophobicContact CG-CE1 4.02Å; K83-Y89 PolarHBondContact NZ-OH 3.45Å
84N58.1Low68.4Low89 Ų8973.6 Ų73.648%0.47640%0.402SS..  trans-66.5164.7170-78.2-13.3000110.8F86 G87 R88 S90N84-F86 PolarHBondContact O-N 2.9Å; N84-G87 PolarHBondContact O-N 2.92Å; N84-R88 PolarHBondContact N-O 3.45Å; N84-S90 VanDerWaalsContact OD1-CB 3.27Å; N84-S90 WeakPolarHBondContact OD1-CB 3.4Å
85I48.6Very low68.5Low173 Ų17377.2 Ų77.289%0.88742%0.417SS*.THydrogen-bonded Turntrans-53.3-16.7-177.7-61.8171.6000113.8
86F52.9Low68.8Low188 Ų18879.1 Ų79.183%0.82543%0.427SS*.THydrogen-bonded Turntrans-10014.3175.1-65.4-81.4000114.8N84 R88N84-F86 PolarHBondContact O-N 2.9Å; F86-R88 VanDerWaalsContact C-N 3.25Å; F86-R88 PolarHBondContact O-N 3.48Å
87G58.8Low69.2Low50 Ų5074.7 Ų74.752%0.51541%0.408SS..SBendtrans74.46.2178.100000115.6N84N84-G87 PolarHBondContact O-N 2.92Å
88R60.9Low69.9Low198 Ų19875.4 Ų75.475%0.74740%0.395SS*.  trans-89.3137.4176.6-63.4-175-179.2-174.1-0.4110.8K83 N84 F86K83-R88 WeakPolarHBondContact CA-O 3.33Å; N84-R88 PolarHBondContact N-O 3.45Å; F86-R88 VanDerWaalsContact C-N 3.25Å; F86-R88 PolarHBondContact O-N 3.48Å
89Y62.2Low70.9Confident38 Ų3875.6 Ų75.615%0.14939%0.391CS..BIsolated β-bridgetrans-64.1134.7175-61.2-83.4000110.6K76 S82 K83 M94K76-Y89 HydrophobicContact CG-CE2 4.32Å; S82-Y89 WeakPolarHBondContact O-CA 3.39Å; K83-Y89 HydrophobicContact CD-CE1 4.29Å; K83-Y89 VanDerWaalsContact CE-OH 3.25Å; K83-Y89 WeakPolarHBondContact CE-OH 3.42Å; K83-Y89 HydrophobicContact CG-CD1 4.01Å; K83-Y89 HydrophobicContact CG-CE1 4.02Å; K83-Y89 PolarHBondContact NZ-OH 3.45Å; Y89-M94 HydrophobicContact CD1-CG 4.44Å; Y89-M94 HydrophobicContact CD2-CE 3.7Å; Y89-M94 HydrophobicContact CD2-CG 4.14Å; Y89-M94 HydrophobicContact CE2-CE 3.8Å; Y89-M94 HydrophobicContact CG-CE 4.12Å; Y89-M94 HydrophobicContact CG-CG 3.82Å
90S62Low72.2Confident43 Ų4374.5 Ų74.530%0.30139%0.386SS..  trans-96.3-22.3-171.666.60000113.9S82 N84 K95S82-S90 PolarHBondContact O-N 3.26Å; S82-S90 PolarHBondContact O-OG 3.43Å; N84-S90 VanDerWaalsContact OD1-CB 3.27Å; N84-S90 WeakPolarHBondContact OD1-CB 3.4Å; S90-K95 PolarHBondContact O-NZ 2.94Å; S90-K95 VanDerWaalsContact O-NZ 3.08Å
91S79.5Confident73.8Confident26 Ų2672.5 Ų72.518%0.18237%0.368CS..  trans-64.1141.6-178.160.60000112.1E79 M94 K95E79-S91 VanDerWaalsContact OE2-CB 3.28Å; E79-S91 WeakPolarHBondContact OE2-CB 3.38Å; E79-S91 PolarHBondContact OE2-OG 3.26Å; S91-M94 WeakPolarHBondContact OG-CB 3.4Å; S91-M94 PolarHBondContact OG-N 3.5Å; S91-K95 WeakPolarHBondContact O-CG 3.24Å; S91-K95 PolarHBondContact O-N 2.99Å
92Q82.2Confident75.7Confident111 Ų11169.5 Ų69.552%0.51935%0.347SS..Hα-helixtrans-65-46.3178.7-173.658.83900110.7M94 K95 D96Q92-M94 PolarHBondContact O-N 3.09Å; Q92-K95 WeakPolarHBondContact O-CA 3.26Å; Q92-K95 WeakPolarHBondContact O-CB 3.19Å; Q92-K95 PolarHBondContact O-N 2.9Å; Q92-D96 PolarHBondContact NE2-OD1 3.37Å; Q92-D96 VanDerWaalsContact O-CG 3.25Å; Q92-D96 PolarHBondContact O-N 3.15Å
93R84.7Confident77.4Confident47 Ų4770.6 Ų70.618%0.17735%0.35CS..Hα-helixtrans-47.4-53.3172.6-176.7-170.5-63155.1-3.8113.5D47 M48 L75 E79 K95 D96 W97D47-R93 WeakPolarHBondContact O-CD 3.43Å; D47-R93 WeakPolarHBondContact O-CG 3.34Å; D47-R93 PolarHBondContact O-NE 3.35Å; D47-R93 IonicContact OD1-CZ 3.16Å; D47-R93 IonicContact OD1-NE 2.75Å; D47-R93 PolarHBondContact OD1-NE 2.88Å; D47-R93 IonicContact OD1-NH2 3.39Å; D47-R93 PolarHBondContact OD1-NH2 2.98Å; M48-R93 HydrophobicContact CE-CG 3.75Å; L75-R93 HydrophobicContact CD1-CG 4.02Å; L75-R93 HydrophobicContact CD2-CG 4.41Å; E79-R93 WeakPolarHBondContact OE1-CD 3.31Å; E79-R93 IonicContact OE1-CZ 2.96Å; E79-R93 IonicContact OE1-NH1 3.75Å; E79-R93 PolarHBondContact OE1-NH1 3.02Å; R93-K95 VanDerWaalsContact C-N 3.29Å; R93-K95 PolarHBondContact O-N 3.22Å; R93-D96 PolarHBondContact O-N 3.29Å; R93-W97 VanDerWaalsContact O-CD1 3.25Å; R93-W97 PolarHBondContact O-N 3.43Å
94M86.2Confident79.2Confident0 Ų065.5 Ų65.50%033%0.328CS..Hα-helixtrans-62.6-38.4-179.5-175.660.6172.200111.6V72 L75 K76 Y89 S91 Q92 Q98V72-M94 HydrophobicContact CG1-CE 3.9Å; V72-M94 HydrophobicContact CG1-SD 4.33Å; L75-M94 HydrophobicContact CB-SD 3.91Å; L75-M94 HydrophobicContact CD1-SD 4.46Å; K76-M94 HydrophobicContact CD-CE 4.35Å; K76-M94 HydrophobicContact CG-CE 3.48Å; K76-M94 VanDerWaalsContact CG-CE 3.48Å; Y89-M94 HydrophobicContact CD1-CG 4.44Å; Y89-M94 HydrophobicContact CD2-CE 3.7Å; Y89-M94 HydrophobicContact CD2-CG 4.14Å; Y89-M94 HydrophobicContact CE2-CE 3.8Å; Y89-M94 HydrophobicContact CG-CE 4.12Å; Y89-M94 HydrophobicContact CG-CG 3.82Å; S91-M94 WeakPolarHBondContact OG-CB 3.4Å; S91-M94 PolarHBondContact OG-N 3.5Å; Q92-M94 PolarHBondContact O-N 3.09Å; M94-Q98 HydrophobicContact CE-CG 4.1Å; M94-Q98 HydrophobicContact CG-CG 4.43Å; M94-Q98 VanDerWaalsContact O-CB 3.29Å; M94-Q98 WeakPolarHBondContact O-CB 3.35Å; M94-Q98 WeakPolarHBondContact O-CG 3.43Å; M94-Q98 PolarHBondContact O-N 3.24Å; M94-Q98 HydrophobicContact SD-CG 4.32Å
95K87.1Confident80.9Confident91 Ų9165.6 Ų65.640%0.39633%0.325SS..Hα-helixtrans-64-43.1175.6-68.4168.4-176.4160.30111.7S90 S91 Q92 R93 Q98 E99S90-K95 PolarHBondContact O-NZ 2.94Å; S90-K95 VanDerWaalsContact O-NZ 3.08Å; S91-K95 WeakPolarHBondContact O-CG 3.24Å; S91-K95 PolarHBondContact O-N 2.99Å; Q92-K95 WeakPolarHBondContact O-CA 3.26Å; Q92-K95 WeakPolarHBondContact O-CB 3.19Å; Q92-K95 PolarHBondContact O-N 2.9Å; R93-K95 VanDerWaalsContact C-N 3.29Å; R93-K95 PolarHBondContact O-N 3.22Å; K95-Q98 PolarHBondContact O-N 3.25Å; K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 PolarHBondContact O-N 3.25Å
96D90Very high83Confident41 Ų4159.9 Ų59.922%0.21930%0.304CS..Hα-helixtrans-63.5-45.4-179.2-63.5-22.2000111.1A44 Q92 R93 E99 I100A44-D96 HydrophobicContact CB-CB 4.26Å; Q92-D96 PolarHBondContact NE2-OD1 3.37Å; Q92-D96 VanDerWaalsContact O-CG 3.25Å; Q92-D96 PolarHBondContact O-N 3.15Å; R93-D96 PolarHBondContact O-N 3.29Å; D96-E99 PolarHBondContact O-N 2.87Å; D96-I100 VanDerWaalsContact O-CG1 3.31Å; D96-I100 WeakPolarHBondContact O-CG1 3.37Å; D96-I100 PolarHBondContact O-N 3.14Å
97W91Very high84.8Confident0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-71.2-33.6177.5-7592.2000113.2I41 A44 I45 M48 C68 I71 V72 L75 R93 I100 V101I41-W97 HydrophobicContact CG2-CH2 4.49Å; A44-W97 HydrophobicContact CB-CZ2 4.16Å; I45-W97 HydrophobicContact CG1-CH2 4.18Å; I45-W97 HydrophobicContact CG1-CZ2 4.07Å; M48-W97 HydrophobicContact CE-CZ2 3.94Å; M48-W97 HydrophobicContact SD-CZ2 3.86Å; C68-W97 HydrophobicContact CB-CE3 4.09Å; C68-W97 HydrophobicContact CB-CZ3 4.09Å; I71-W97 HydrophobicContact CB-CE3 4.27Å; I71-W97 HydrophobicContact CB-CZ3 4.38Å; I71-W97 HydrophobicContact CD1-CE3 4.22Å; I71-W97 HydrophobicContact CD1-CH2 3.46Å; I71-W97 VanDerWaalsContact CD1-CH2 3.46Å; I71-W97 HydrophobicContact CD1-CZ2 4.17Å; I71-W97 HydrophobicContact CD1-CZ3 3.49Å; I71-W97 VanDerWaalsContact CD1-CZ3 3.49Å; I71-W97 HydrophobicContact CG2-CD2 3.81Å; I71-W97 HydrophobicContact CG2-CE3 3.97Å; I71-W97 HydrophobicContact CG2-CG 4.24Å; I71-W97 HydrophobicContact CG2-CH2 4.45Å; I71-W97 HydrophobicContact CG2-CZ2 4.32Å; I71-W97 HydrophobicContact CG2-CZ3 4.28Å; V72-W97 HydrophobicContact CG2-CB 3.66Å; L75-W97 HydrophobicContact CD1-CB 4.37Å; L75-W97 HydrophobicContact CD1-CG 4.24Å; R93-W97 VanDerWaalsContact O-CD1 3.25Å; R93-W97 PolarHBondContact O-N 3.43Å; W97-I100 HydrophobicContact CD2-CD1 4.38Å; W97-I100 HydrophobicContact CE3-CD1 4.32Å; W97-I100 PolarHBondContact O-N 3.49Å; W97-V101 WeakPolarHBondContact O-CG2 3.46Å; W97-V101 PolarHBondContact O-N 3.06Å
98Q91Very high86.4Confident76 Ų7655.4 Ų55.436%0.35528%0.277SS..Hα-helixtrans-65.9-38.6170.6-77.1-177-35.600112.1M94 K95 V101 S102M94-Q98 HydrophobicContact CE-CG 4.1Å; M94-Q98 HydrophobicContact CG-CG 4.43Å; M94-Q98 VanDerWaalsContact O-CB 3.29Å; M94-Q98 WeakPolarHBondContact O-CB 3.35Å; M94-Q98 WeakPolarHBondContact O-CG 3.43Å; M94-Q98 PolarHBondContact O-N 3.24Å; M94-Q98 HydrophobicContact SD-CG 4.32Å; K95-Q98 PolarHBondContact O-N 3.25Å; Q98-V101 PolarHBondContact O-N 3.41Å; Q98-S102 WeakPolarHBondContact O-CB 3.33Å; Q98-S102 PolarHBondContact O-N 3.5Å
99E93.6Very high88Confident80 Ų8046 Ų4637%0.37424%0.242SC..Hα-helixtrans-63-47.8174.9-169.3-168.9-176.700110.3K40 K95 D96 V101 S102 L103K40-E99 WeakPolarHBondContact CE-OE1 3.38Å; K40-E99 IonicContact NZ-OE1 2.81Å; K40-E99 PolarHBondContact NZ-OE1 3.13Å; K40-E99 IonicContact NZ-OE2 2.69Å; K40-E99 PolarHBondContact NZ-OE2 3.14Å; K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 PolarHBondContact O-N 3.25Å; D96-E99 PolarHBondContact O-N 2.87Å; E99-V101 VanDerWaalsContact C-N 3.32Å; E99-V101 PolarHBondContact O-N 3.29Å; E99-S102 WeakPolarHBondContact CA-OG 3.35Å; E99-S102 PolarHBondContact O-N 3.3Å; E99-S102 VanDerWaalsContact O-N 3.1Å; E99-S102 PolarHBondContact O-OG 3.45Å; E99-L103 HydrophobicContact CG-CD1 4.28Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 2.86Å
100I94.3Very high89.5Confident1 Ų144.9 Ų44.91%0.00524%0.237CC..Hα-helixtrans-54.1-47.7174.9-72.5163.2000111.3I37 K40 I41 A44 C68 D96 W97 S102 L103 Y104I37-I100 HydrophobicContact CG2-CG2 4.05Å; K40-I100 HydrophobicContact CB-CD1 4.26Å; K40-I100 HydrophobicContact CB-CG1 3.9Å; I41-I100 HydrophobicContact CD1-CG2 4.27Å; I41-I100 HydrophobicContact CG1-CD1 3.98Å; I41-I100 HydrophobicContact CG1-CG1 4.39Å; I41-I100 HydrophobicContact CG1-CG2 3.81Å; A44-I100 HydrophobicContact CB-CD1 3.75Å; C68-I100 HydrophobicContact CB-CG2 4.3Å; D96-I100 VanDerWaalsContact O-CG1 3.31Å; D96-I100 WeakPolarHBondContact O-CG1 3.37Å; D96-I100 PolarHBondContact O-N 3.14Å; W97-I100 HydrophobicContact CD2-CD1 4.38Å; W97-I100 HydrophobicContact CE3-CD1 4.32Å; W97-I100 PolarHBondContact O-N 3.49Å; I100-S102 PolarHBondContact O-N 3.23Å; I100-L103 PolarHBondContact O-N 2.98Å; I100-Y104 HydrophobicContact CG2-CD2 3.99Å; I100-Y104 HydrophobicContact CG2-CE2 4.02Å; I100-Y104 WeakPolarHBondContact O-CD2 3.4Å; I100-Y104 PolarHBondContact O-N 3.09Å; I100-Y104 VanDerWaalsContact O-N 3.08Å
101V95.3Very high91Very high14 Ų1442.9 Ų42.99%0.08522%0.223CC..Hα-helixtrans-60.7-44.7176.4166.50000111.1Y65 C68 L69 V72 W97 Q98 E99 L103 Y104 E105Y65-V101 HydrophobicContact CE2-CG1 4.05Å; C68-V101 HydrophobicContact CB-CG2 4Å; L69-V101 HydrophobicContact CD2-CG1 3.8Å; L69-V101 HydrophobicContact CD2-CG2 4.16Å; V72-V101 HydrophobicContact CG2-CG2 3.96Å; W97-V101 WeakPolarHBondContact O-CG2 3.46Å; W97-V101 PolarHBondContact O-N 3.06Å; Q98-V101 PolarHBondContact O-N 3.41Å; E99-V101 VanDerWaalsContact C-N 3.32Å; E99-V101 PolarHBondContact O-N 3.29Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.73Å; V101-Y104 WeakPolarHBondContact O-CB 3.3Å; V101-Y104 PolarHBondContact O-N 2.94Å; V101-E105 HydrophobicContact CG1-CG 4.49Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.16Å; V101-E105 WeakPolarHBondContact O-CG 3.43Å; V101-E105 PolarHBondContact O-N 3.42Å
102S95.1Very high91.7Very high59 Ų5941.6 Ų41.641%0.41322%0.215SC..Hα-helixtrans-64-36.5179.374.40000113.2Q98 E99 I100 Y104 E105 A106Q98-S102 WeakPolarHBondContact O-CB 3.33Å; Q98-S102 PolarHBondContact O-N 3.5Å; E99-S102 WeakPolarHBondContact CA-OG 3.35Å; E99-S102 PolarHBondContact O-N 3.3Å; E99-S102 VanDerWaalsContact O-N 3.1Å; E99-S102 PolarHBondContact O-OG 3.45Å; I100-S102 PolarHBondContact O-N 3.23Å; S102-Y104 VanDerWaalsContact C-N 3.34Å; S102-E105 PolarHBondContact O-N 3.46Å; S102-A106 PolarHBondContact O-N 3.28Å
103L94Very high92.2Very high50 Ų5036.6 Ų36.626%0.26219%0.191SC..Hα-helixtrans-69.2-34.4176.4-70.7170.9000111.9I37 K40 E99 I100 V101I37-L103 HydrophobicContact CD1-CB 3.96Å; I37-L103 HydrophobicContact CG1-CB 3.74Å; I37-L103 HydrophobicContact CG1-CD1 4.39Å; K40-L103 HydrophobicContact CD-CD1 3.47Å; K40-L103 VanDerWaalsContact CD-CD1 3.47Å; E99-L103 HydrophobicContact CG-CD1 4.28Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 2.86Å; I100-L103 PolarHBondContact O-N 2.98Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.73Å
104Y95.2Very high92.7Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-67.8-41.2172.6-93.5-55.3000112.6I37 I41 Y65 I100 V101 S102 V109 Y110 E113I37-Y104 HydrophobicContact CD1-CD1 3.75Å; I37-Y104 HydrophobicContact CD1-CD2 4.47Å; I37-Y104 HydrophobicContact CD1-CE1 4.02Å; I37-Y104 HydrophobicContact CD1-CG 3.99Å; I37-Y104 HydrophobicContact CG2-CD1 4.45Å; I37-Y104 HydrophobicContact CG2-CD2 3.75Å; I37-Y104 HydrophobicContact CG2-CE1 4.03Å; I37-Y104 HydrophobicContact CG2-CE2 3.29Å; I37-Y104 HydrophobicContact CG2-CG 4.32Å; I37-Y104 VanDerWaalsContact CG2-CZ 3.44Å; I41-Y104 HydrophobicContact CD1-CE2 3.99Å; Y65-Y104 VanDerWaalsContact CD2-CB 3.47Å; Y65-Y104 HydrophobicContact CD2-CD2 4.06Å; Y65-Y104 AromaticContact CD2-CG 3.89Å; Y65-Y104 HydrophobicContact CD2-CG 3.89Å; Y65-Y104 HydrophobicContact CG-CG 4.37Å; I100-Y104 HydrophobicContact CG2-CD2 3.99Å; I100-Y104 HydrophobicContact CG2-CE2 4.02Å; I100-Y104 WeakPolarHBondContact O-CD2 3.4Å; I100-Y104 PolarHBondContact O-N 3.09Å; I100-Y104 VanDerWaalsContact O-N 3.08Å; V101-Y104 WeakPolarHBondContact O-CB 3.3Å; V101-Y104 PolarHBondContact O-N 2.94Å; S102-Y104 VanDerWaalsContact C-N 3.34Å; Y104-V109 HydrophobicContact CD1-CG1 4.49Å; Y104-V109 PolarHBondContact O-N 2.82Å; Y104-Y110 WeakPolarHBondContact O-CD1 3.41Å; Y104-Y110 PolarHBondContact O-N 2.87Å; Y104-E113 WeakPolarHBondContact CE1-OE2 3.42Å; Y104-E113 PolarHBondContact OH-OE1 3.06Å; Y104-E113 PolarHBondContact OH-OE2 3.14Å
105E94Very high93Very high91 Ų9134.4 Ų34.443%0.42518%0.183SC..Hα-helixtrans-71.7-31.4-179.1-73.3173.8177.200112.5Y65 V101 S102 D107 N108Y65-E105 HydrophobicContact CE2-CG 3.76Å; Y65-E105 PolarHBondContact OH-OE1 2.75Å; V101-E105 HydrophobicContact CG1-CG 4.49Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.16Å; V101-E105 WeakPolarHBondContact O-CG 3.43Å; V101-E105 PolarHBondContact O-N 3.42Å; S102-E105 PolarHBondContact O-N 3.46Å; E105-D107 PolarHBondContact O-N 2.88Å; E105-N108 PolarHBondContact O-N 3.38Å; E105-N108 VanDerWaalsContact O-N 3.07Å
106A93.3Very high93.3Very high53 Ų5332.1 Ų32.144%0.43818%0.178SC..G310 helixtrans-55126.6169.900000110S102 N108 V109S102-A106 PolarHBondContact O-N 3.28Å; A106-N108 PolarHBondContact O-N 3.13Å; A106-V109 VanDerWaalsContact O-CG2 3.31Å; A106-V109 WeakPolarHBondContact O-CG2 3.39Å; A106-V109 PolarHBondContact O-N 3.5Å
107D89.9Confident93.5Very high102 Ų10230.7 Ų30.755%0.54517%0.171SC..G310 helixtrans53.219.7-176.7-64.6-16.9000115.5N27 E105 V109N27-D107 HydrophobicContact CB-CB 4.17Å; N27-D107 PolarHBondContact ND2-OD2 2.91Å; E105-D107 PolarHBondContact O-N 2.88Å; D107-V109 HydrophobicContact CB-CG2 4.31Å; D107-V109 PolarHBondContact O-N 2.88Å
108N93.1Very high93.6Very high42 Ų4230.7 Ų30.723%0.22517%0.171CC..G310 helixtrans50.936.6-175.1-48.7-71.6000113.8H25 E105 A106 Y110 L111 R493H25-N108 WeakPolarHBondContact O-CB 3.47Å; H25-N108 PolarHBondContact O-ND2 3.15Å; E105-N108 PolarHBondContact O-N 3.38Å; E105-N108 VanDerWaalsContact O-N 3.07Å; A106-N108 PolarHBondContact O-N 3.13Å; N108-Y110 HydrophobicContact CB-CE1 4.18Å; N108-Y110 PolarHBondContact O-N 3.3Å; N108-Y110 VanDerWaalsContact O-N 3.12Å; N108-L111 WeakPolarHBondContact O-CB 3.42Å; N108-L111 PolarHBondContact O-N 3.48Å; N108-R493 PolarHBondContact ND2-NH1 3.05Å; N108-R493 PolarHBondContact OD1-NH1 3.33Å; N108-R493 PolarHBondContact OD1-NH2 3.44Å
109V93.7Very high93.8Very high2 Ų228.5 Ų28.51%0.01216%0.161CC..Hα-helixtrans-55.7-32.4-177.2169.70000112.5W30 T33 V34 I37 Y104 A106 D107 L111 A112 E113W30-V109 HydrophobicContact CB-CG1 4.39Å; W30-V109 HydrophobicContact CB-CG2 4.43Å; T33-V109 HydrophobicContact CG2-CG1 4.37Å; T33-V109 HydrophobicContact CG2-CG2 4.05Å; V34-V109 HydrophobicContact CG2-CG1 3.41Å; V34-V109 VanDerWaalsContact CG2-CG1 3.41Å; I37-V109 HydrophobicContact CD1-CG1 4.19Å; Y104-V109 HydrophobicContact CD1-CG1 4.49Å; Y104-V109 PolarHBondContact O-N 2.82Å; A106-V109 VanDerWaalsContact O-CG2 3.31Å; A106-V109 WeakPolarHBondContact O-CG2 3.39Å; A106-V109 PolarHBondContact O-N 3.5Å; D107-V109 HydrophobicContact CB-CG2 4.31Å; D107-V109 PolarHBondContact O-N 2.88Å; V109-L111 VanDerWaalsContact C-N 3.26Å; V109-L111 PolarHBondContact O-N 3.43Å; V109-A112 PolarHBondContact O-N 2.88Å; V109-E113 PolarHBondContact O-N 3.13Å; V109-E113 VanDerWaalsContact O-N 3.12Å
110Y94.4Very high93.8Very high14 Ų1429.5 Ų29.56%0.05516%0.161CC..Hα-helixtrans-55.6-40.8176.368.5-90.4000113.4Y65 F66 Y104 N108 A112 E113 V114 D489 R493Y65-Y110 HydrophobicContact CD1-CD1 4.22Å; Y65-Y110 AromaticContact CD1-CD2 3.51Å; Y65-Y110 HydrophobicContact CD1-CD2 3.51Å; Y65-Y110 HydrophobicContact CD1-CE2 4.18Å; Y65-Y110 AromaticContact CD1-CG 3.54Å; Y65-Y110 HydrophobicContact CD1-CG 3.54Å; Y65-Y110 HydrophobicContact CD2-CG 4.29Å; Y65-Y110 HydrophobicContact CE1-CD1 4.16Å; Y65-Y110 AromaticContact CE1-CD2 3.83Å; Y65-Y110 HydrophobicContact CE1-CD2 3.83Å; Y65-Y110 HydrophobicContact CE1-CE1 4.36Å; Y65-Y110 HydrophobicContact CE1-CE2 4.06Å; Y65-Y110 AromaticContact CE1-CG 3.9Å; Y65-Y110 HydrophobicContact CE1-CG 3.9Å; Y65-Y110 HydrophobicContact CE2-CD1 4.44Å; Y65-Y110 HydrophobicContact CG-CD1 4.37Å; Y65-Y110 HydrophobicContact CG-CD2 4.17Å; Y65-Y110 AromaticContact CG-CG 3.75Å; Y65-Y110 HydrophobicContact CG-CG 3.75Å; F66-Y110 HydrophobicContact CZ-CD2 4.42Å; F66-Y110 HydrophobicContact CZ-CE2 4.46Å; Y104-Y110 WeakPolarHBondContact O-CD1 3.41Å; Y104-Y110 PolarHBondContact O-N 2.87Å; N108-Y110 HydrophobicContact CB-CE1 4.18Å; N108-Y110 PolarHBondContact O-N 3.3Å; N108-Y110 VanDerWaalsContact O-N 3.12Å; Y110-A112 VanDerWaalsContact C-N 3.33Å; Y110-A112 PolarHBondContact O-N 3.25Å; Y110-E113 PolarHBondContact O-N 2.8Å; Y110-V114 WeakPolarHBondContact O-CG2 3.46Å; Y110-V114 PolarHBondContact O-N 2.97Å; Y110-D489 PolarHBondContact OH-OD1 3.33Å; Y110-D489 PolarHBondContact OH-OD2 3.3Å; Y110-R493 PolarHBondContact OH-NH2 3.48Å
111L93.9Very high93.8Very high0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-69-37.1-173.5-175.358.6000110.4L20 N108 V109 V114 A115 I486 D489L20-L111 HydrophobicContact CD1-CD2 4.43Å; L20-L111 HydrophobicContact CD1-CG 3.9Å; L20-L111 HydrophobicContact CD2-CD2 3.55Å; L20-L111 HydrophobicContact CD2-CG 3.95Å; N108-L111 WeakPolarHBondContact O-CB 3.42Å; N108-L111 PolarHBondContact O-N 3.48Å; V109-L111 VanDerWaalsContact C-N 3.26Å; V109-L111 PolarHBondContact O-N 3.43Å; L111-V114 HydrophobicContact CD1-CG2 4.39Å; L111-V114 WeakPolarHBondContact O-CG2 3.26Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 3.46Å; L111-I486 HydrophobicContact CD1-CG2 4.22Å; L111-D489 HydrophobicContact CD1-CB 4.38Å
112A93.9Very high93.7Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-66.2-41.9172.300000112.3L17 C26 W30 V109 Y110 S116L17-A112 HydrophobicContact CD1-CB 3.86Å; C26-A112 HydrophobicContact CB-CB 4.05Å; W30-A112 HydrophobicContact CB-CB 3.99Å; W30-A112 HydrophobicContact CD2-CB 3.65Å; W30-A112 HydrophobicContact CE3-CB 4.15Å; W30-A112 HydrophobicContact CG-CB 3.56Å; V109-A112 PolarHBondContact O-N 2.88Å; Y110-A112 VanDerWaalsContact C-N 3.33Å; Y110-A112 PolarHBondContact O-N 3.25Å; A112-S116 WeakPolarHBondContact O-CB 3.49Å; A112-S116 PolarHBondContact O-N 3.39Å
113E93.3Very high93.7Very high6 Ų629.5 Ų29.53%0.02816%0.161CC..Hα-helixtrans-63.7-49.5177.9-170.5-174.3-14800111.5W30 V34 R38 H62 Y104 V109 Y110 A115 S116 L117W30-E113 HydrophobicContact CZ3-CB 4.42Å; V34-E113 HydrophobicContact CG1-CG 4.18Å; V34-E113 VanDerWaalsContact CG1-OE1 3.27Å; V34-E113 WeakPolarHBondContact CG1-OE1 3.3Å; V34-E113 HydrophobicContact CG2-CB 4.05Å; V34-E113 HydrophobicContact CG2-CG 4.29Å; R38-E113 IonicContact CZ-OE1 3.18Å; R38-E113 IonicContact NE-OE1 2.91Å; R38-E113 PolarHBondContact NE-OE1 3.16Å; R38-E113 IonicContact NH2-OE1 3.93Å; R38-E113 PolarHBondContact NH2-OE1 3.15Å; R38-E113 IonicContact NH2-OE2 3.15Å; H62-E113 IonicContact NE2-OE1 2.73Å; Y104-E113 WeakPolarHBondContact CE1-OE2 3.42Å; Y104-E113 PolarHBondContact OH-OE1 3.06Å; Y104-E113 PolarHBondContact OH-OE2 3.14Å; V109-E113 PolarHBondContact O-N 3.13Å; V109-E113 VanDerWaalsContact O-N 3.12Å; Y110-E113 PolarHBondContact O-N 2.8Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.48Å; E113-S116 PolarHBondContact O-N 3.09Å; E113-L117 WeakPolarHBondContact O-CB 3.22Å; E113-L117 PolarHBondContact O-N 3.47Å
114V93.6Very high93.6Very high0 Ų035 Ų350%018%0.179CC..Hα-helixtrans-69.2-33-179.1-62.50000112.3H64 F66 Y110 L111 L117 L118 L482 I486H64-V114 HydrophobicContact CB-CG1 4.05Å; F66-V114 HydrophobicContact CD2-CG1 4.09Å; F66-V114 HydrophobicContact CE2-CG1 4.03Å; F66-V114 HydrophobicContact CE2-CG2 4.19Å; Y110-V114 WeakPolarHBondContact O-CG2 3.46Å; Y110-V114 PolarHBondContact O-N 2.97Å; L111-V114 HydrophobicContact CD1-CG2 4.39Å; L111-V114 WeakPolarHBondContact O-CG2 3.26Å; V114-L117 PolarHBondContact O-N 3.25Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 2.75Å; V114-L482 HydrophobicContact CB-CD2 4.15Å; V114-L482 HydrophobicContact CG1-CD2 4.19Å; V114-I486 HydrophobicContact CB-CD1 4.23Å; V114-I486 HydrophobicContact CB-CG1 4.33Å; V114-I486 HydrophobicContact CG2-CD1 3.91Å; V114-I486 HydrophobicContact CG2-CG1 3.58Å
115A94.1Very high93.5Very high0 Ų038 Ų380%019%0.193CC..Hα-helixtrans-63.9-44.7172.300000111.4L16 L20 L111 E113 L118 I119L16-A115 HydrophobicContact CD2-CB 3.57Å; L16-A115 HydrophobicContact CG-CB 3.79Å; L20-A115 HydrophobicContact CD1-CB 3.7Å; L111-A115 WeakPolarHBondContact O-CB 3.37Å; L111-A115 PolarHBondContact O-N 3.46Å; E113-A115 VanDerWaalsContact C-N 3.35Å; E113-A115 PolarHBondContact O-N 3.48Å; A115-L118 PolarHBondContact O-N 2.73Å; A115-I119 WeakPolarHBondContact O-CD1 3.49Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.26Å; A115-I119 PolarHBondContact O-N 2.58Å
116S93.4Very high93.4Very high43 Ų4333.6 Ų33.630%0.30117%0.173SC..Hα-helixtrans-62.2-42.6175.2-175.70000111.9A112 E113 I119 R120A112-S116 WeakPolarHBondContact O-CB 3.49Å; A112-S116 PolarHBondContact O-N 3.39Å; E113-S116 PolarHBondContact O-N 3.09Å; S116-I119 PolarHBondContact O-N 3.25Å; S116-R120 WeakPolarHBondContact O-CB 3.29Å; S116-R120 PolarHBondContact O-N 3.38Å
117L93.1Very high93.5Very high12 Ų1233.1 Ų33.16%0.06317%0.165CC..Hα-helixtrans-61.8-46.4175.8-176.263.6000111.8E113 V114 I119 R120 N121 L482E113-L117 WeakPolarHBondContact O-CB 3.22Å; E113-L117 PolarHBondContact O-N 3.47Å; V114-L117 PolarHBondContact O-N 3.25Å; L117-I119 PolarHBondContact O-N 3.12Å; L117-R120 VanDerWaalsContact CD1-NH2 3.29Å; L117-R120 PolarHBondContact O-N 3.16Å; L117-R120 VanDerWaalsContact O-N 3.16Å; L117-N121 VanDerWaalsContact O-CG 3.28Å; L117-N121 PolarHBondContact O-N 3.32Å; L117-N121 PolarHBondContact O-OD1 2.85Å; L117-N121 VanDerWaalsContact O-OD1 3.13Å; L117-L482 HydrophobicContact CD2-CD1 3.65Å; L117-L482 HydrophobicContact CD2-CD2 4.29Å; L117-L482 HydrophobicContact CG-CD1 3.88Å
118L94.2Very high93.7Very high0 Ų030.6 Ų30.60%016%0.158CC..Hα-helixtrans-59-46.3176.5-177.971.9000111.5T13 L16 V114 A115 R120 N121 V122 T479 L482 Q483 I486 L501 V504T13-L118 HydrophobicContact CG2-CD2 3.97Å; T13-L118 HydrophobicContact CG2-CG 4.01Å; L16-L118 HydrophobicContact CD2-CD2 4.07Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 2.75Å; A115-L118 PolarHBondContact O-N 2.73Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 3.15Å; L118-N121 PolarHBondContact O-N 2.89Å; L118-V122 WeakPolarHBondContact O-CG2 3.49Å; L118-V122 PolarHBondContact O-N 3.36Å; L118-V122 VanDerWaalsContact O-N 3.1Å; L118-T479 HydrophobicContact CD1-CG2 3.5Å; L118-L482 HydrophobicContact CD1-CB 4.13Å; L118-Q483 HydrophobicContact CD1-CB 4.4Å; L118-I486 HydrophobicContact CB-CD1 4.05Å; L118-I486 HydrophobicContact CD2-CD1 3.83Å; L118-L501 HydrophobicContact CD2-CD1 3.49Å; L118-L501 VanDerWaalsContact CD2-CD1 3.49Å; L118-V504 HydrophobicContact CD1-CG1 4.11Å; L118-V504 HydrophobicContact CD2-CG2 4.32Å
119I94.6Very high93.8Very high30 Ų3030.2 Ų30.215%0.15416%0.156CC..Hα-helixtrans-57.9-43.7176.2-70.6164.4000110.5T13 L16 L17 A115 S116 L117 V122 S123T13-I119 HydrophobicContact CG2-CG1 4.21Å; T13-I119 WeakPolarHBondContact O-CD1 3.46Å; T13-I119 WeakPolarHBondContact O-CG1 3.29Å; L16-I119 HydrophobicContact CB-CD1 4.37Å; L17-I119 HydrophobicContact CB-CD1 4.01Å; A115-I119 WeakPolarHBondContact O-CD1 3.49Å; A115-I119 VanDerWaalsContact O-CG1 3.24Å; A115-I119 WeakPolarHBondContact O-CG1 3.26Å; A115-I119 PolarHBondContact O-N 2.58Å; S116-I119 PolarHBondContact O-N 3.25Å; L117-I119 PolarHBondContact O-N 3.12Å; I119-V122 PolarHBondContact O-N 2.96Å; I119-S123 WeakPolarHBondContact O-CB 3.45Å; I119-S123 PolarHBondContact O-N 3.06Å; I119-S123 PolarHBondContact O-OG 3.46Å
120R93.6Very high93.8Very high101 Ų10134.8 Ų34.838%0.38117%0.173SC..Hα-helixtrans-64.6-44.4-178.8-165.8179.474.4-1572.7112.2S116 L117 L118 V122 Y124 E125S116-R120 WeakPolarHBondContact O-CB 3.29Å; S116-R120 PolarHBondContact O-N 3.38Å; L117-R120 VanDerWaalsContact CD1-NH2 3.29Å; L117-R120 PolarHBondContact O-N 3.16Å; L117-R120 VanDerWaalsContact O-N 3.16Å; L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 3.15Å; R120-V122 PolarHBondContact O-N 3.33Å; R120-Y124 HydrophobicContact CG-CD2 4.38Å; R120-Y124 PolarHBondContact O-N 3.22Å; R120-E125 HydrophobicContact CG-CG 4.41Å; R120-E125 IonicContact CZ-OE1 3.31Å; R120-E125 VanDerWaalsContact CZ-OE1 3.24Å; R120-E125 IonicContact NE-OE1 2.74Å; R120-E125 PolarHBondContact NE-OE1 3.3Å; R120-E125 IonicContact NH2-OE1 2.72Å; R120-E125 PolarHBondContact NH2-OE1 3.41Å; R120-E125 PolarHBondContact O-N 3.5Å; R120-E125 VanDerWaalsContact O-N 3.11Å
121N93.8Very high93.9Very high6 Ų640.5 Ų40.53%0.03220%0.198CC..Iπ-helixtrans-61.6-45.9178.9-66.75.4000111.4L117 L118 E125 G126 L475 T479 I506L117-N121 VanDerWaalsContact O-CG 3.28Å; L117-N121 PolarHBondContact O-N 3.32Å; L117-N121 PolarHBondContact O-OD1 2.85Å; L117-N121 VanDerWaalsContact O-OD1 3.13Å; L118-N121 PolarHBondContact O-N 2.89Å; N121-E125 PolarHBondContact OD1-OE2 3.36Å; N121-G126 PolarHBondContact O-N 3.07Å; N121-L475 HydrophobicContact CB-CD1 4.21Å; N121-T479 HydrophobicContact CB-CG2 4.26Å; N121-T479 WeakPolarHBondContact CB-OG1 3.39Å; N121-T479 PolarHBondContact ND2-OG1 3.16Å; N121-I506 HydrophobicContact CB-CD1 3.89Å
122V94.1Very high94Very high19 Ų1945 Ų4512%0.11522%0.219CC..Iπ-helixtrans-73.7-42.1-177.6173.40000112.2T13 L118 I119 R120 P127 T479 G503 V504 I506T13-V122 HydrophobicContact CG2-CG2 4.41Å; L118-V122 WeakPolarHBondContact O-CG2 3.49Å; L118-V122 PolarHBondContact O-N 3.36Å; L118-V122 VanDerWaalsContact O-N 3.1Å; I119-V122 PolarHBondContact O-N 2.96Å; R120-V122 PolarHBondContact O-N 3.33Å; V122-P127 VanDerWaalsContact O-CD 3.23Å; V122-P127 WeakPolarHBondContact O-CD 3.35Å; V122-P127 VanDerWaalsContact O-CG 3.25Å; V122-P127 WeakPolarHBondContact O-CG 3.4Å; V122-T479 HydrophobicContact CG2-CG2 3.85Å; V122-G503 VanDerWaalsContact CG1-O 3.24Å; V122-G503 WeakPolarHBondContact CG1-O 3.42Å; V122-V504 HydrophobicContact CG2-CB 4.46Å; V122-V504 HydrophobicContact CG2-CG1 3.97Å; V122-I506 HydrophobicContact CG2-CG1 4.48Å
123S93.6Very high94.1Very high49 Ų4945.9 Ų45.934%0.34322%0.224SC..Iπ-helixtrans-88.7-24.2-170.4-48.60000113.7I119I119-S123 WeakPolarHBondContact O-CB 3.45Å; I119-S123 PolarHBondContact O-N 3.06Å; I119-S123 PolarHBondContact O-OG 3.46Å
124Y93.3Very high94.2Very high164 Ų16448.3 Ų48.364%0.64325%0.245SC*.Iπ-helixtrans-130.2-60-172.2-57.2-77.3000113.1R120 A128R120-Y124 HydrophobicContact CG-CD2 4.38Å; R120-Y124 PolarHBondContact O-N 3.22Å; Y124-A128 WeakPolarHBondContact O-CB 3.46Å; Y124-A128 PolarHBondContact O-N 3.14Å
125E92.3Very high94.4Very high63 Ų6354.4 Ų54.429%0.29427%0.271SS..Iπ-helixtrans-66.5-50.3-170.1-60.9-177.2-17200112.3R120 N121 A128 L129 L475R120-E125 HydrophobicContact CG-CG 4.41Å; R120-E125 IonicContact CZ-OE1 3.31Å; R120-E125 VanDerWaalsContact CZ-OE1 3.24Å; R120-E125 IonicContact NE-OE1 2.74Å; R120-E125 PolarHBondContact NE-OE1 3.3Å; R120-E125 IonicContact NH2-OE1 2.72Å; R120-E125 PolarHBondContact NH2-OE1 3.41Å; R120-E125 PolarHBondContact O-N 3.5Å; R120-E125 VanDerWaalsContact O-N 3.11Å; N121-E125 PolarHBondContact OD1-OE2 3.36Å; E125-A128 PolarHBondContact O-N 3.12Å; E125-L129 WeakPolarHBondContact O-CG 3.47Å; E125-L129 PolarHBondContact O-N 2.96Å; E125-L475 HydrophobicContact CB-CD2 3.82Å
126G93.1Very high94.5Very high0 Ų054.9 Ų54.90%028%0.275CS..Hα-helixtrans-57.9-55.1177.400000112.6N121 A128 L129 R130N121-G126 PolarHBondContact O-N 3.07Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.31Å; G126-L129 PolarHBondContact O-N 2.66Å; G126-R130 WeakPolarHBondContact O-CG 3.23Å; G126-R130 PolarHBondContact O-N 3.37Å; G126-R130 PolarHBondContact O-NH1 3.49Å
127P94.3Very high94.6Very high43 Ų4357.7 Ų57.728%0.27928%0.282SS..Hα-helixtrans-56.2-39.2175.3-26.433.9000113.8V122 K131V122-P127 VanDerWaalsContact O-CD 3.23Å; V122-P127 WeakPolarHBondContact O-CD 3.35Å; V122-P127 VanDerWaalsContact O-CG 3.25Å; V122-P127 WeakPolarHBondContact O-CG 3.4Å; P127-K131 VanDerWaalsContact O-CB 3.27Å; P127-K131 WeakPolarHBondContact O-CB 3.28Å; P127-K131 PolarHBondContact O-N 3.47Å
128A94.8Very high94.8Very high48 Ų4863.1 Ų63.140%0.39731%0.307SS..Hα-helixtrans-64.7-47.1178.900000112Y124 E125 G126 K131 Q132Y124-A128 WeakPolarHBondContact O-CB 3.46Å; Y124-A128 PolarHBondContact O-N 3.14Å; E125-A128 PolarHBondContact O-N 3.12Å; G126-A128 VanDerWaalsContact C-N 3.29Å; G126-A128 PolarHBondContact O-N 3.31Å; A128-K131 WeakPolarHBondContact O-CB 3.38Å; A128-K131 PolarHBondContact O-N 3.23Å; A128-Q132 WeakPolarHBondContact O-CG 3.21Å; A128-Q132 PolarHBondContact O-N 3.44Å
129L94.6Very high94.9Very high34 Ų3466.2 Ų66.218%0.17832%0.323CS..Hα-helixtrans-64-44.5176.9-69.3172.7000111.6E125 G126 K131 Q132 I133 L468 V472 L475E125-L129 WeakPolarHBondContact O-CG 3.47Å; E125-L129 PolarHBondContact O-N 2.96Å; G126-L129 PolarHBondContact O-N 2.66Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 2.89Å; L129-Q132 WeakPolarHBondContact O-CB 3.34Å; L129-Q132 PolarHBondContact O-N 3.34Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 3.41Å; L129-L468 HydrophobicContact CD2-CD2 4.07Å; L129-V472 HydrophobicContact CB-CG2 3.54Å; L129-V472 HydrophobicContact CD1-CG2 4.09Å; L129-V472 HydrophobicContact CG-CG2 4.41Å; L129-L475 HydrophobicContact CD1-CD2 3.88Å
130R94.3Very high95Very high98 Ų9866.4 Ų66.437%0.3732%0.323SS..Hα-helixtrans-59.1-39.9174.6-71.6-164.3-58.1-78.98.7112.1G126 I133 A134 I506G126-R130 WeakPolarHBondContact O-CG 3.23Å; G126-R130 PolarHBondContact O-N 3.37Å; G126-R130 PolarHBondContact O-NH1 3.49Å; R130-I133 PolarHBondContact O-N 3.44Å; R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.26Å; R130-I506 VanDerWaalsContact CD-OXT 3.24Å; R130-I506 WeakPolarHBondContact CD-OXT 3.4Å; R130-I506 VanDerWaalsContact NH1-CA 3.28Å; R130-I506 PolarHBondContact NH1-OXT 3.25Å
131K96.3Very high95.2Very high135 Ų13568.8 Ų68.859%0.58734%0.339SS*.Hα-helixtrans-65.1-38.9176.3-173.7175.7-176.5176.50111.7P127 A128 L129 A134 K135P127-K131 VanDerWaalsContact O-CB 3.27Å; P127-K131 WeakPolarHBondContact O-CB 3.28Å; P127-K131 PolarHBondContact O-N 3.47Å; A128-K131 WeakPolarHBondContact O-CB 3.38Å; A128-K131 PolarHBondContact O-N 3.23Å; L129-K131 VanDerWaalsContact C-N 3.28Å; L129-K131 PolarHBondContact O-N 2.89Å; K131-A134 PolarHBondContact O-N 2.9Å; K131-K135 WeakPolarHBondContact O-CB 3.47Å; K131-K135 WeakPolarHBondContact O-CG 3.4Å; K131-K135 PolarHBondContact O-N 2.86Å
132Q95.4Very high95.3Very high95 Ų9571.2 Ų71.244%0.44435%0.35SS..Hα-helixtrans-65-44.7175-71.7174.4-5.800111.5A128 L129 A134 K135 A136 L468A128-Q132 WeakPolarHBondContact O-CG 3.21Å; A128-Q132 PolarHBondContact O-N 3.44Å; L129-Q132 WeakPolarHBondContact O-CB 3.34Å; L129-Q132 PolarHBondContact O-N 3.34Å; L129-Q132 VanDerWaalsContact O-N 3.12Å; Q132-A134 PolarHBondContact O-N 2.78Å; Q132-K135 PolarHBondContact O-N 2.64Å; Q132-A136 PolarHBondContact O-N 2.76Å; Q132-L468 HydrophobicContact CB-CD1 3.68Å
133I96.3Very high95.4Very high18 Ų1870.3 Ų70.39%0.09235%0.345CS..Hα-helixtrans-59.9-45.7174.3-68.5171.7000111.1L129 R130 K135 A136 K137 Q465 L468 E469 V472L129-I133 WeakPolarHBondContact O-CG1 3.42Å; L129-I133 PolarHBondContact O-N 3.41Å; R130-I133 PolarHBondContact O-N 3.44Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 2.84Å; I133-A136 PolarHBondContact O-N 3.46Å; I133-K137 HydrophobicContact CG2-CD 4.09Å; I133-K137 WeakPolarHBondContact O-CG 3.35Å; I133-K137 PolarHBondContact O-N 3.5Å; I133-Q465 HydrophobicContact CG2-CG 4.43Å; I133-L468 HydrophobicContact CD1-CB 4.11Å; I133-L468 HydrophobicContact CG1-CB 3.71Å; I133-L468 HydrophobicContact CG1-CD1 4.25Å; I133-E469 HydrophobicContact CD1-CG 4.07Å; I133-V472 HydrophobicContact CD1-CB 4.45Å; I133-V472 HydrophobicContact CD1-CG2 3.62Å
134A96.5Very high95.6Very high57 Ų5770 Ų7047%0.47134%0.343SS..Hα-helixtrans-61.5-41.5178.600000112R130 K131 Q132 K137 Q138R130-A134 WeakPolarHBondContact O-CB 3.45Å; R130-A134 PolarHBondContact O-N 3.26Å; K131-A134 PolarHBondContact O-N 2.9Å; Q132-A134 PolarHBondContact O-N 2.78Å; A134-K137 PolarHBondContact O-N 3.49Å; A134-Q138 WeakPolarHBondContact O-CB 3.37Å; A134-Q138 PolarHBondContact O-N 2.92Å
135K96.8Very high95.8Very high128 Ų12869.2 Ų69.256%0.55734%0.338SS*.Hα-helixtrans-62.1-44.5173.9-76.9179.9173.7-166.10112.1K131 Q132 I133 K137 Q138 L139K131-K135 WeakPolarHBondContact O-CB 3.47Å; K131-K135 WeakPolarHBondContact O-CG 3.4Å; K131-K135 PolarHBondContact O-N 2.86Å; Q132-K135 PolarHBondContact O-N 2.64Å; I133-K135 VanDerWaalsContact C-N 3.33Å; I133-K135 PolarHBondContact O-N 2.84Å; K135-K137 VanDerWaalsContact C-N 3.35Å; K135-K137 PolarHBondContact O-N 2.97Å; K135-Q138 PolarHBondContact O-N 3.27Å; K135-L139 WeakPolarHBondContact O-CB 3.33Å; K135-L139 PolarHBondContact O-N 2.89Å
136A95.9Very high95.9Very high9 Ų970.9 Ų70.97%0.07434%0.342CS..Hα-helixtrans-61-44.1177.200000111.3Q132 I133 L139 Q140 Q465Q132-A136 PolarHBondContact O-N 2.76Å; I133-A136 PolarHBondContact O-N 3.46Å; A136-L139 PolarHBondContact O-N 3.35Å; A136-Q140 VanDerWaalsContact O-CG 3.32Å; A136-Q140 WeakPolarHBondContact O-CG 3.44Å; A136-Q140 PolarHBondContact O-N 2.99Å; A136-Q140 PolarHBondContact O-NE2 2.93Å; A136-Q465 HydrophobicContact CB-CB 4.28Å
137K96.4Very high96.1Very high102 Ų10272.1 Ų72.144%0.44335%0.348SS..Hα-helixtrans-62.8-44.8175.7-73.3178.4177.7178.40112.6I133 A134 K135 L139 Q140 Q141 E469I133-K137 HydrophobicContact CG2-CD 4.09Å; I133-K137 WeakPolarHBondContact O-CG 3.35Å; I133-K137 PolarHBondContact O-N 3.5Å; A134-K137 PolarHBondContact O-N 3.49Å; K135-K137 VanDerWaalsContact C-N 3.35Å; K135-K137 PolarHBondContact O-N 2.97Å; K137-L139 VanDerWaalsContact C-N 3.34Å; K137-Q140 PolarHBondContact O-N 3.37Å; K137-Q141 PolarHBondContact O-N 2.86Å; K137-Q141 VanDerWaalsContact O-N 3.09Å; K137-E469 IonicContact NZ-OE1 2.8Å
138Q97.2Very high96.2Very high127 Ų12774.1 Ų74.159%0.59336%0.359SS*.Hα-helixtrans-61.6-44.5176.8-176.7179.60.200111.2A134 K135 Q140 Q141 E142A134-Q138 WeakPolarHBondContact O-CB 3.37Å; A134-Q138 PolarHBondContact O-N 2.92Å; K135-Q138 PolarHBondContact O-N 3.27Å; Q138-Q140 VanDerWaalsContact C-N 3.35Å; Q138-Q140 PolarHBondContact O-N 3.49Å; Q138-Q141 PolarHBondContact O-N 2.86Å; Q138-E142 PolarHBondContact O-N 3.11Å
139L96.4Very high96.2Very high65 Ų6576.1 Ų76.134%0.3436%0.36SS..Hα-helixtrans-61-43.2177.1-179.461.5000111.4K135 A136 K137 Q141 E142 L143 A461K135-L139 WeakPolarHBondContact O-CB 3.33Å; K135-L139 PolarHBondContact O-N 2.89Å; A136-L139 PolarHBondContact O-N 3.35Å; K137-L139 VanDerWaalsContact C-N 3.34Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 3.35Å; L139-E142 PolarHBondContact O-N 2.85Å; L139-L143 HydrophobicContact CD1-CD1 3.96Å; L139-L143 HydrophobicContact CD1-CG 4.02Å; L139-L143 HydrophobicContact CG-CD1 3.81Å; L139-L143 HydrophobicContact CG-CG 4.3Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 VanDerWaalsContact O-CG 3.22Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 3.18Å; L139-A461 HydrophobicContact CD2-CB 4.06Å; L139-A461 HydrophobicContact CG-CB 4.39Å
140Q97.1Very high96.3Very high33 Ų3375.6 Ų75.615%0.15436%0.359CS..Hα-helixtrans-59.5-43.5175.6-73170.752.900112.4A136 K137 Q138 S144 R458 A461A136-Q140 VanDerWaalsContact O-CG 3.32Å; A136-Q140 WeakPolarHBondContact O-CG 3.44Å; A136-Q140 PolarHBondContact O-N 2.99Å; A136-Q140 PolarHBondContact O-NE2 2.93Å; K137-Q140 PolarHBondContact O-N 3.37Å; Q138-Q140 VanDerWaalsContact C-N 3.35Å; Q138-Q140 PolarHBondContact O-N 3.49Å; Q140-S144 WeakPolarHBondContact O-CB 3.32Å; Q140-S144 PolarHBondContact O-N 2.9Å; Q140-R458 HydrophobicContact CB-CG 4.24Å; Q140-R458 HydrophobicContact CG-CG 4.17Å; Q140-A461 HydrophobicContact CG-CB 3.72Å; Q140-A461 PolarHBondContact NE2-O 3.36Å
141Q96.8Very high96.3Very high151 Ų15175.3 Ų75.371%0.70636%0.362SS*.Hα-helixtrans-65.5-43.2178.4-173179.610.100111.8K137 Q138 L139 S144 R145K137-Q141 PolarHBondContact O-N 2.86Å; K137-Q141 VanDerWaalsContact O-N 3.09Å; Q138-Q141 PolarHBondContact O-N 2.86Å; L139-Q141 VanDerWaalsContact C-N 3.35Å; L139-Q141 PolarHBondContact O-N 3.35Å; Q141-S144 PolarHBondContact O-N 2.5Å; Q141-R145 PolarHBondContact O-N 3.15Å
142E96.8Very high96.4Very high58 Ų5872.2 Ų72.227%0.27136%0.357SS..Hα-helixtrans-63.9-45.2177.4-175.5-178.9158.700111.8Q138 L139 R145 R146Q138-E142 PolarHBondContact O-N 3.11Å; L139-E142 PolarHBondContact O-N 2.85Å; E142-R145 PolarHBondContact O-N 3.34Å; E142-R146 PolarHBondContact O-N 3.21Å; E142-R146 IonicContact OE1-CZ 3.77Å; E142-R146 IonicContact OE1-NE 3.66Å; E142-R146 IonicContact OE1-NH1 3.51Å; E142-R146 PolarHBondContact OE1-NH1 3.43Å; E142-R146 IonicContact OE1-NH2 3.81Å; E142-R146 PolarHBondContact OE1-NH2 3.47Å
143L96.1Very high96.4Very high0 Ų070 Ų700%035%0.352CS..Hα-helixtrans-63.5-42.2176.8-70.7171.9000111.4L139 R145 R146 E147 M454 R457 R458L139-L143 HydrophobicContact CD1-CD1 3.96Å; L139-L143 HydrophobicContact CD1-CG 4.02Å; L139-L143 HydrophobicContact CG-CD1 3.81Å; L139-L143 HydrophobicContact CG-CG 4.3Å; L139-L143 WeakPolarHBondContact O-CB 3.42Å; L139-L143 VanDerWaalsContact O-CG 3.22Å; L139-L143 WeakPolarHBondContact O-CG 3.2Å; L139-L143 PolarHBondContact O-N 3.18Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 2.98Å; L143-R146 PolarHBondContact O-N 3.03Å; L143-E147 WeakPolarHBondContact O-CB 3.41Å; L143-E147 PolarHBondContact O-N 3.26Å; L143-M454 HydrophobicContact CD2-CB 4.46Å; L143-M454 HydrophobicContact CD2-SD 3.51Å; L143-M454 VanDerWaalsContact CD2-SD 3.51Å; L143-R457 HydrophobicContact CD1-CB 3.82Å; L143-R457 HydrophobicContact CD2-CB 4.39Å; L143-R458 HydrophobicContact CB-CB 4.21Å; L143-R458 HydrophobicContact CD1-CB 4.18Å
144S96.8Very high96.4Very high43 Ų4369.1 Ų69.130%0.30135%0.348SS..Hα-helixtrans-62.8-38.1176-172.60000112.4Q140 Q141 V148Q140-S144 WeakPolarHBondContact O-CB 3.32Å; Q140-S144 PolarHBondContact O-N 2.9Å; Q141-S144 PolarHBondContact O-N 2.5Å; S144-V148 WeakPolarHBondContact O-CG2 3.3Å; S144-V148 PolarHBondContact O-N 2.85Å
145R97.2Very high96.4Very high147 Ų14769.1 Ų69.156%0.55535%0.347SS*.Hα-helixtrans-66.3-47.1175.3-171.1-174.167.1-151-7.5110.9Q141 E142 L143 E147 V148 E149Q141-R145 PolarHBondContact O-N 3.15Å; E142-R145 PolarHBondContact O-N 3.34Å; L143-R145 VanDerWaalsContact C-N 3.32Å; L143-R145 PolarHBondContact O-N 2.98Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 2.92Å; R145-V148 PolarHBondContact O-N 3.36Å; R145-E149 WeakPolarHBondContact CD-OE1 3.41Å; R145-E149 WeakPolarHBondContact CG-OE1 3.48Å; R145-E149 IonicContact NE-OE1 3.47Å; R145-E149 PolarHBondContact NE-OE1 2.95Å; R145-E149 WeakPolarHBondContact O-CG 3.34Å; R145-E149 PolarHBondContact O-N 3.42Å
146R95.5Very high96.4Very high98 Ų9867.3 Ų67.337%0.3734%0.341SS..Hα-helixtrans-63.3-35.2178.3-77.3-173.3174.2137.99.8113.2E142 L143 E149 C150E142-R146 PolarHBondContact O-N 3.21Å; E142-R146 IonicContact OE1-CZ 3.77Å; E142-R146 IonicContact OE1-NE 3.66Å; E142-R146 IonicContact OE1-NH1 3.51Å; E142-R146 PolarHBondContact OE1-NH1 3.43Å; E142-R146 IonicContact OE1-NH2 3.81Å; E142-R146 PolarHBondContact OE1-NH2 3.47Å; L143-R146 PolarHBondContact O-N 3.03Å; R146-E149 PolarHBondContact O-N 3.2Å; R146-C150 WeakPolarHBondContact O-CB 3.09Å; R146-C150 PolarHBondContact O-N 2.77Å; R146-C150 PolarHBondContact O-SG 3.05Å
147E95.9Very high96.3Very high25 Ų2568.3 Ų68.312%0.11735%0.345CS..Hα-helixtrans-57.3-52.2173.8-177.9-164.2161.800110.4L143 R145 E149 C150 Q151 A451 M454 V455 R458L143-E147 WeakPolarHBondContact O-CB 3.41Å; L143-E147 PolarHBondContact O-N 3.26Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 2.92Å; E147-E149 PolarHBondContact O-N 3.17Å; E147-C150 PolarHBondContact O-N 2.96Å; E147-Q151 WeakPolarHBondContact O-CG 3.4Å; E147-Q151 PolarHBondContact O-N 2.93Å; E147-Q151 PolarHBondContact OE1-NE2 3.41Å; E147-A451 HydrophobicContact CG-CB 4.5Å; E147-M454 HydrophobicContact CB-CB 4.38Å; E147-V455 VanDerWaalsContact CD-CG2 3.45Å; E147-V455 HydrophobicContact CG-CG2 4.01Å; E147-V455 WeakPolarHBondContact OE1-CG2 3.46Å; E147-R458 IonicContact OE2-CZ 2.8Å; E147-R458 IonicContact OE2-NH1 2.88Å; E147-R458 PolarHBondContact OE2-NH1 3.37Å; E147-R458 IonicContact OE2-NH2 3.43Å
148V96.7Very high96.2Very high85 Ų8567.8 Ų67.852%0.51534%0.34SS..Hα-helixtrans-62.9-43179.4175.20000111.2S144 R145 C150 Q151 S152S144-V148 WeakPolarHBondContact O-CG2 3.3Å; S144-V148 PolarHBondContact O-N 2.85Å; R145-V148 PolarHBondContact O-N 3.36Å; V148-C150 VanDerWaalsContact C-N 3.34Å; V148-C150 PolarHBondContact O-N 2.87Å; V148-Q151 PolarHBondContact O-N 3.1Å; V148-S152 PolarHBondContact O-N 3.01Å; V148-S152 PolarHBondContact O-OG 3.34Å
149E96.1Very high96.1Very high91 Ų9168.4 Ų68.443%0.42534%0.343SS..Hα-helixtrans-60.5-41.3176.2-71.7167.4-170.900112.2R145 R146 E147 S152 S153R145-E149 WeakPolarHBondContact CD-OE1 3.41Å; R145-E149 WeakPolarHBondContact CG-OE1 3.48Å; R145-E149 IonicContact NE-OE1 3.47Å; R145-E149 PolarHBondContact NE-OE1 2.95Å; R145-E149 WeakPolarHBondContact O-CG 3.34Å; R145-E149 PolarHBondContact O-N 3.42Å; R146-E149 PolarHBondContact O-N 3.2Å; E147-E149 PolarHBondContact O-N 3.17Å; E149-S152 PolarHBondContact O-OG 3.36Å; E149-S153 VanDerWaalsContact O-CB 3.26Å; E149-S153 WeakPolarHBondContact O-CB 3.28Å; E149-S153 PolarHBondContact O-N 3.46Å; E149-S153 PolarHBondContact O-OG 3.45Å
150C95.4Very high96Very high22 Ų2271.2 Ų71.215%0.14935%0.349CS..Hα-helixtrans-66-42.8175.7-69.30000111.3R146 E147 V148 S153 A154 A451R146-C150 WeakPolarHBondContact O-CB 3.09Å; R146-C150 PolarHBondContact O-N 2.77Å; R146-C150 PolarHBondContact O-SG 3.05Å; E147-C150 PolarHBondContact O-N 2.96Å; V148-C150 VanDerWaalsContact C-N 3.34Å; V148-C150 PolarHBondContact O-N 2.87Å; C150-S153 PolarHBondContact O-N 3Å; C150-A154 VanDerWaalsContact O-CB 3.29Å; C150-A154 WeakPolarHBondContact O-CB 3.5Å; C150-A154 PolarHBondContact O-N 3.14Å; C150-A451 HydrophobicContact CB-CB 3.95Å
151Q95.8Very high95.8Very high93 Ų9370.5 Ų70.544%0.43535%0.345SS..Hα-helixtrans-64.8-45.2178.5-73.3173-0.100112E147 V148 A154 A155 A451E147-Q151 WeakPolarHBondContact O-CG 3.4Å; E147-Q151 PolarHBondContact O-N 2.93Å; E147-Q151 PolarHBondContact OE1-NE2 3.41Å; V148-Q151 PolarHBondContact O-N 3.1Å; Q151-A154 PolarHBondContact O-N 3.26Å; Q151-A155 WeakPolarHBondContact O-CB 3.46Å; Q151-A155 PolarHBondContact O-N 3.02Å; Q151-A451 HydrophobicContact CG-CB 4.03Å
152S96.8Very high95.7Very high69 Ų6967.8 Ų67.848%0.48334%0.335SS..Hα-helixtrans-63.7-43.9177.866.90000111.3V148 E149 A154 A155 E156V148-S152 PolarHBondContact O-N 3.01Å; V148-S152 PolarHBondContact O-OG 3.34Å; E149-S152 PolarHBondContact O-OG 3.36Å; S152-A154 PolarHBondContact O-N 2.95Å; S152-A155 PolarHBondContact O-N 3.24Å; S152-E156 PolarHBondContact O-N 3.09Å
153S95.5Very high95.5Very high48 Ų4867.2 Ų67.234%0.33634%0.34SS..Hα-helixtrans-64.9-38.7177.7-56.60000111.9E149 C150 E156 L157E149-S153 VanDerWaalsContact O-CB 3.26Å; E149-S153 WeakPolarHBondContact O-CB 3.28Å; E149-S153 PolarHBondContact O-N 3.46Å; E149-S153 PolarHBondContact O-OG 3.45Å; C150-S153 PolarHBondContact O-N 3Å; S153-E156 PolarHBondContact O-N 3.13Å; S153-L157 WeakPolarHBondContact O-CG 3.21Å; S153-L157 PolarHBondContact O-N 2.97Å
154A96.8Very high95.2Very high1 Ų167.5 Ų67.51%0.00834%0.343CS..Hα-helixtrans-64.6-41.7174.400000112C150 Q151 S152 L157 R158 L447 V448C150-A154 VanDerWaalsContact O-CB 3.29Å; C150-A154 WeakPolarHBondContact O-CB 3.5Å; C150-A154 PolarHBondContact O-N 3.14Å; Q151-A154 PolarHBondContact O-N 3.26Å; S152-A154 PolarHBondContact O-N 2.95Å; A154-L157 PolarHBondContact O-N 3.45Å; A154-R158 WeakPolarHBondContact O-CG 3.43Å; A154-R158 PolarHBondContact O-N 2.96Å; A154-R158 VanDerWaalsContact O-N 3.07Å; A154-L447 HydrophobicContact CB-CB 3.85Å; A154-L447 HydrophobicContact CB-CD1 4.47Å; A154-V448 HydrophobicContact CB-CG2 3.91Å
155A96.3Very high94.9Very high56 Ų5665.6 Ų65.646%0.46333%0.329SS..Hα-helixtrans-63.5-44.2176.800000111.6Q151 S152 L157 R158 E159Q151-A155 WeakPolarHBondContact O-CB 3.46Å; Q151-A155 PolarHBondContact O-N 3.02Å; S152-A155 PolarHBondContact O-N 3.24Å; A155-L157 PolarHBondContact O-N 3.11Å; A155-R158 PolarHBondContact O-N 3.31Å; A155-E159 PolarHBondContact O-N 2.87Å
156E95.9Very high94.6Very high90 Ų9066.5 Ų66.542%0.42134%0.337SS..Hα-helixtrans-61.2-43.5176.7-175-179.3-177.900112S152 S153 R158 E159 R160S152-E156 PolarHBondContact O-N 3.09Å; S153-E156 PolarHBondContact O-N 3.13Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 2.87Å; E156-E159 PolarHBondContact O-N 3.21Å; E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.46Å; E156-R160 PolarHBondContact O-N 3.45Å; E156-R160 IonicContact OE1-CZ 2.97Å; E156-R160 VanDerWaalsContact OE1-CZ 3.3Å; E156-R160 IonicContact OE1-NE 3.54Å; E156-R160 PolarHBondContact OE1-NE 3.39Å; E156-R160 IonicContact OE1-NH2 3.55Å; E156-R160 PolarHBondContact OE1-NH2 3.05Å
157L93.9Very high94.2Very high31 Ų3166.8 Ų66.816%0.16234%0.343CS..Hα-helixtrans-62.2-39.5175.3-74.7176.6000112.3S153 A154 A155 R160 Y161 Q443 A444 L447S153-L157 WeakPolarHBondContact O-CG 3.21Å; S153-L157 PolarHBondContact O-N 2.97Å; A154-L157 PolarHBondContact O-N 3.45Å; A155-L157 PolarHBondContact O-N 3.11Å; L157-R160 PolarHBondContact O-N 2.93Å; L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 2.66Å; L157-Q443 HydrophobicContact CD1-CB 3.86Å; L157-A444 HydrophobicContact CB-CB 3.91Å; L157-A444 HydrophobicContact CD1-CB 4.44Å; L157-L447 HydrophobicContact CD1-CD1 3.75Å
158R95.3Very high93.6Very high91 Ų9166 Ų6634%0.34334%0.339SS..Hα-helixtrans-66.7-39.4175-73.5-174.4-179.2120.51.2112A154 A155 E156 Y161 L162 A444 D445A154-R158 WeakPolarHBondContact O-CG 3.43Å; A154-R158 PolarHBondContact O-N 2.96Å; A154-R158 VanDerWaalsContact O-N 3.07Å; A155-R158 PolarHBondContact O-N 3.31Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 2.87Å; R158-Y161 WeakPolarHBondContact O-CB 3.23Å; R158-Y161 PolarHBondContact O-N 2.94Å; R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 3.31Å; R158-A444 HydrophobicContact CG-CB 3.79Å; R158-D445 IonicContact CZ-OD1 3.2Å; R158-D445 IonicContact NE-OD1 2.7Å; R158-D445 IonicContact NH2-OD1 3.15Å; R158-D445 PolarHBondContact NH2-OD1 3.49Å
159E95.3Very high93.1Very high140 Ų14063.7 Ų63.765%0.65433%0.332SS*.Hα-helixtrans-63.9-45175.3-174.7173.9-169.600111.3A155 E156 Y161 L162 A163A155-E159 PolarHBondContact O-N 2.87Å; E156-E159 PolarHBondContact O-N 3.21Å; E159-Y161 VanDerWaalsContact C-N 3.28Å; E159-Y161 PolarHBondContact O-N 3Å; E159-L162 PolarHBondContact O-N 3.43Å; E159-A163 WeakPolarHBondContact O-CB 3.33Å; E159-A163 PolarHBondContact O-N 2.79Å
160R93.1Very high92.8Very high124 Ų12460.1 Ų60.147%0.46832%0.316SS..Hα-helixtrans-61.1-36.6174.1-70.9175.3-174.7-164.40.4112.3E156 L157 A164E156-R160 WeakPolarHBondContact O-CB 3.36Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.46Å; E156-R160 PolarHBondContact O-N 3.45Å; E156-R160 IonicContact OE1-CZ 2.97Å; E156-R160 VanDerWaalsContact OE1-CZ 3.3Å; E156-R160 IonicContact OE1-NE 3.54Å; E156-R160 PolarHBondContact OE1-NE 3.39Å; E156-R160 IonicContact OE1-NH2 3.55Å; E156-R160 PolarHBondContact OE1-NH2 3.05Å; L157-R160 PolarHBondContact O-N 2.93Å; R160-A164 WeakPolarHBondContact O-CB 3.34Å; R160-A164 PolarHBondContact O-N 2.83Å
161Y94Very high92.5Very high18 Ų1863.9 Ų63.97%0.07134%0.338CS..Hα-helixtrans-62.3-51.7172.7169.7-90.4000111L157 R158 E159 A163 A164 C165 G172 L437 L441L157-Y161 WeakPolarHBondContact O-CB 3.44Å; L157-Y161 PolarHBondContact O-N 2.66Å; R158-Y161 WeakPolarHBondContact O-CB 3.23Å; R158-Y161 PolarHBondContact O-N 2.94Å; E159-Y161 VanDerWaalsContact C-N 3.28Å; E159-Y161 PolarHBondContact O-N 3Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 2.77Å; Y161-A164 WeakPolarHBondContact O-CB 3.48Å; Y161-A164 PolarHBondContact O-N 3.08Å; Y161-A164 VanDerWaalsContact O-N 3.13Å; Y161-C165 VanDerWaalsContact CE1-SG 3.58Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.98Å; Y161-C165 VanDerWaalsContact O-SG 3.42Å; Y161-G172 VanDerWaalsContact OH-CA 3.23Å; Y161-G172 WeakPolarHBondContact OH-CA 3.34Å; Y161-G172 PolarHBondContact OH-O 3.22Å; Y161-L437 HydrophobicContact CD2-CB 4.24Å; Y161-L437 HydrophobicContact CD2-CD2 4.23Å; Y161-L437 WeakPolarHBondContact CD2-O 3.17Å; Y161-L437 HydrophobicContact CE2-CB 3.88Å; Y161-L437 HydrophobicContact CE2-CD2 4.48Å; Y161-L437 WeakPolarHBondContact CE2-O 3.49Å; Y161-L441 HydrophobicContact CD1-CD1 4.34Å; Y161-L441 HydrophobicContact CD2-CB 4.25Å; Y161-L441 HydrophobicContact CD2-CD1 4.44Å; Y161-L441 HydrophobicContact CE1-CD1 4.03Å; Y161-L441 HydrophobicContact CE2-CB 4.33Å; Y161-L441 HydrophobicContact CE2-CD1 4.1Å
162L93.6Very high92.1Very high93 Ų9360.1 Ų60.149%0.48733%0.325SS..Hα-helixtrans-62.5-39.1179.4-69.1173.5000112.3R158 E159 A164 C165 K166R158-L162 WeakPolarHBondContact O-CG 3.49Å; R158-L162 PolarHBondContact O-N 3.31Å; E159-L162 PolarHBondContact O-N 3.43Å; L162-A164 VanDerWaalsContact C-N 3.34Å; L162-C165 PolarHBondContact O-N 3.12Å; L162-K166 WeakPolarHBondContact O-CG 3.43Å; L162-K166 PolarHBondContact O-N 3.38Å
163A92.6Very high91.6Very high46 Ų4665.3 Ų65.338%0.3834%0.341SS..Hα-helixtrans-61.6-42.7174.700000111.4E159 Y161 K166 Q167E159-A163 WeakPolarHBondContact O-CB 3.33Å; E159-A163 PolarHBondContact O-N 2.79Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 2.77Å; A163-K166 PolarHBondContact O-N 3.01Å; A163-Q167 WeakPolarHBondContact O-CG 3.33Å; A163-Q167 PolarHBondContact O-N 2.99Å; A163-Q167 VanDerWaalsContact O-N 3.13Å
164A90.4Very high91.1Very high7 Ų765.1 Ų65.16%0.05834%0.336CS..Hα-helixtrans-65.5-43.9175.300000111.7R160 Y161 L162 K166 Q167 Y168 L437R160-A164 WeakPolarHBondContact O-CB 3.34Å; R160-A164 PolarHBondContact O-N 2.83Å; Y161-A164 WeakPolarHBondContact O-CB 3.48Å; Y161-A164 PolarHBondContact O-N 3.08Å; Y161-A164 VanDerWaalsContact O-N 3.13Å; L162-A164 VanDerWaalsContact C-N 3.34Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.88Å; A164-Q167 WeakPolarHBondContact O-CB 3.4Å; A164-Q167 PolarHBondContact O-N 2.95Å; A164-Y168 WeakPolarHBondContact O-CD2 3.24Å; A164-Y168 PolarHBondContact O-N 2.96Å; A164-L437 HydrophobicContact CB-CD2 3.6Å
165C91.1Very high90.7Very high2 Ų265.3 Ų65.31%0.01434%0.338CS..Hα-helixtrans-56-42.6173.9-70.40000112.1Y161 L162 Q167 Y168 G169 I170Y161-C165 VanDerWaalsContact CE1-SG 3.58Å; Y161-C165 PolarHBondContact O-N 3.35Å; Y161-C165 PolarHBondContact O-SG 2.98Å; Y161-C165 VanDerWaalsContact O-SG 3.42Å; L162-C165 PolarHBondContact O-N 3.12Å; C165-Q167 VanDerWaalsContact C-N 3.34Å; C165-Q167 PolarHBondContact O-N 2.8Å; C165-Y168 PolarHBondContact O-N 2.91Å; C165-G169 PolarHBondContact O-N 3.44Å; C165-I170 CarbonylContact C-O 3.55Å; C165-I170 HydrophobicContact CB-CG1 3.86Å; C165-I170 WeakPolarHBondContact O-CG1 3.26Å; C165-I170 PolarHBondContact O-N 3.43Å
166K89.8Confident90.2Very high166 Ų16665.2 Ų65.272%0.72233%0.328SS*.Hα-helixtrans-61.8-37.9174.9-73.2175.7-177.9178.90113.1L162 A163 A164 Y168 G169L162-K166 WeakPolarHBondContact O-CG 3.43Å; L162-K166 PolarHBondContact O-N 3.38Å; A163-K166 PolarHBondContact O-N 3.01Å; A164-K166 VanDerWaalsContact C-N 3.28Å; A164-K166 PolarHBondContact O-N 2.88Å; K166-Y168 VanDerWaalsContact C-N 3.28Å; K166-Y168 PolarHBondContact O-N 2.9Å; K166-G169 PolarHBondContact O-N 3.28Å
167Q87.1Confident89.7Confident105 Ų10564.9 Ų64.949%0.49132%0.322SS..Hα-helixtrans-63.1-35.6176.8-71.5173.2-1000112.2A163 A164 C165 G169A163-Q167 WeakPolarHBondContact O-CG 3.33Å; A163-Q167 PolarHBondContact O-N 2.99Å; A163-Q167 VanDerWaalsContact O-N 3.13Å; A164-Q167 WeakPolarHBondContact O-CB 3.4Å; A164-Q167 PolarHBondContact O-N 2.95Å; C165-Q167 VanDerWaalsContact C-N 3.34Å; C165-Q167 PolarHBondContact O-N 2.8Å; Q167-G169 VanDerWaalsContact C-N 3.33Å
168Y84.9Confident89.4Confident8 Ų864.9 Ų64.93%0.03132%0.322CS..Hα-helixtrans-80.2-12.7173.3-66.4-71.6000113.5A164 C165 K166 L179 L182 H419 V433 L437A164-Y168 WeakPolarHBondContact O-CD2 3.24Å; A164-Y168 PolarHBondContact O-N 2.96Å; C165-Y168 PolarHBondContact O-N 2.91Å; K166-Y168 VanDerWaalsContact C-N 3.28Å; K166-Y168 PolarHBondContact O-N 2.9Å; Y168-L179 HydrophobicContact CD1-CD2 4.16Å; Y168-L179 HydrophobicContact CG-CD2 4.19Å; Y168-L182 WeakPolarHBondContact O-CD1 3.17Å; Y168-H419 HydrophobicContact CD1-CB 4.06Å; Y168-H419 AromaticContact CD1-CG 3.91Å; Y168-H419 HydrophobicContact CE1-CB 4.12Å; Y168-H419 AromaticContact CE1-CD2 3.86Å; Y168-H419 AromaticContact CE1-CE1 3.89Å; Y168-H419 AromaticContact CE1-CG 3.63Å; Y168-H419 AromaticContact CE1-ND1 3.62Å; Y168-V433 HydrophobicContact CD2-CG1 4.32Å; Y168-V433 HydrophobicContact CE1-CG1 4.03Å; Y168-V433 HydrophobicContact CE1-CG2 4.37Å; Y168-V433 HydrophobicContact CE2-CG1 3.78Å; Y168-L437 HydrophobicContact CD2-CD1 4.23Å; Y168-L437 HydrophobicContact CE2-CD1 4.3Å
169G85.3Confident89Confident36 Ų3660.6 Ų60.637%0.37131%0.306SS..THydrogen-bonded Turntrans74.430.2-175.500000113.4C165 K166 Q167C165-G169 PolarHBondContact O-N 3.44Å; K166-G169 PolarHBondContact O-N 3.28Å; Q167-G169 VanDerWaalsContact C-N 3.33Å
170I89.8Confident88.5Confident16 Ų1656 Ų568%0.08228%0.284CS..  trans-116.7158.2-177.471.5172.9000111C165 V175 E178 L179 L182 L437C165-I170 CarbonylContact C-O 3.55Å; C165-I170 HydrophobicContact CB-CG1 3.86Å; C165-I170 WeakPolarHBondContact O-CG1 3.26Å; C165-I170 PolarHBondContact O-N 3.43Å; I170-V175 HydrophobicContact CD1-CB 4.29Å; I170-V175 HydrophobicContact CD1-CG1 3.84Å; I170-V175 HydrophobicContact CD1-CG2 4.15Å; I170-E178 HydrophobicContact CB-CB 3.98Å; I170-E178 VanDerWaalsContact CB-OE2 3.25Å; I170-E178 WeakPolarHBondContact CB-OE2 3.47Å; I170-E178 HydrophobicContact CG2-CB 3.87Å; I170-L179 HydrophobicContact CD1-CD2 4.28Å; I170-L179 HydrophobicContact CD1-CG 4.33Å; I170-L179 HydrophobicContact CG2-CD2 3.89Å; I170-L179 HydrophobicContact CG2-CG 4.4Å; I170-L182 HydrophobicContact CG2-CD1 3.55Å; I170-L437 HydrophobicContact CD1-CD1 4.25Å
171T88.8Confident88.1Confident101 Ų10152.3 Ų52.362%0.6228%0.28SS*.  trans-83-30.6178.935.70000112.7E178T171-E178 PolarHBondContact N-OE2 2.9Å; T171-E178 PolarHBondContact OG1-OE1 3.12Å; T171-E178 PolarHBondContact OG1-OE2 2.79Å; T171-E178 VanDerWaalsContact OG1-OE2 3.14Å
172G87.6Confident87.6Confident15 Ų1552.7 Ų52.716%0.15528%0.283CS..SBendtrans92.512-178.800000114.8Y161 E178Y161-G172 VanDerWaalsContact OH-CA 3.23Å; Y161-G172 WeakPolarHBondContact OH-CA 3.34Å; Y161-G172 PolarHBondContact OH-O 3.22Å; G172-E178 PolarHBondContact N-OE2 3.21Å
173E85.8Confident87.1Confident177 Ų17749.2 Ų49.283%0.82727%0.266SS*.SBendtrans-76.2-52.6177.7-60.5-174.7171.100110.3E178E173-E178 WeakPolarHBondContact CA-OE1 3.23Å; E173-E178 WeakPolarHBondContact CB-OE1 3.25Å; E173-E178 PolarHBondContact N-OE1 2.76Å
174N86.7Confident86.7Confident44 Ų4452.6 Ų52.624%0.23527%0.272CS..SBendtrans-132.685.4171-169-35000109.7Q176 R177 E178N174-Q176 PolarHBondContact O-N 2.94Å; N174-Q176 VanDerWaalsContact O-N 3.13Å; N174-R177 HydrophobicContact CB-CB 4.18Å; N174-R177 HydrophobicContact CB-CG 4.49Å; N174-R177 PolarHBondContact O-N 3.35Å; N174-R177 PolarHBondContact OD1-N 2.97Å; N174-E178 PolarHBondContact N-OE1 3.42Å; N174-E178 WeakPolarHBondContact O-CB 3.46Å; N174-E178 WeakPolarHBondContact O-CG 3.41Å; N174-E178 PolarHBondContact O-N 3.39Å
175V87.9Confident86.5Confident6 Ų657.2 Ų57.24%0.03630%0.296CS..Hα-helixtrans-47.8-45.4-175.8176.20000112.3I170 E178 L179 L437I170-V175 HydrophobicContact CD1-CB 4.29Å; I170-V175 HydrophobicContact CD1-CG1 3.84Å; I170-V175 HydrophobicContact CD1-CG2 4.15Å; V175-E178 PolarHBondContact O-N 2.84Å; V175-L179 HydrophobicContact CG1-CD1 3.69Å; V175-L179 HydrophobicContact CG1-CG 4.24Å; V175-L179 WeakPolarHBondContact O-CB 3.44Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 3.22Å; V175-L437 HydrophobicContact CG1-CD1 3.76Å; V175-L437 HydrophobicContact CG2-CB 4.39Å; V175-L437 HydrophobicContact CG2-CD1 4.22Å
176Q85.3Confident86.4Confident54 Ų5457.2 Ų57.225%0.25230%0.296SS..Hα-helixtrans-64.5-45.9-177.6-174.21716.500111.9N174 Q180 V430N174-Q176 PolarHBondContact O-N 2.94Å; N174-Q176 VanDerWaalsContact O-N 3.13Å; Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 VanDerWaalsContact O-CG 3.28Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 2.94Å; Q176-Q180 VanDerWaalsContact O-N 3.13Å; Q176-V430 HydrophobicContact CG-CG1 4.04Å
177R85.3Confident86.4Confident83 Ų8350.5 Ų50.531%0.31327%0.269SS..Hα-helixtrans-68.5-42.8177.8-73.3-171.9177.3149.411.6112.7N174 Q180 A181 P257 D259N174-R177 HydrophobicContact CB-CB 4.18Å; N174-R177 HydrophobicContact CB-CG 4.49Å; N174-R177 PolarHBondContact O-N 3.35Å; N174-R177 PolarHBondContact OD1-N 2.97Å; R177-Q180 PolarHBondContact O-N 3.33Å; R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.13Å; R177-P257 PolarHBondContact NH2-O 2.72Å; R177-D259 IonicContact CZ-OD1 2.81Å; R177-D259 IonicContact CZ-OD2 3.17Å; R177-D259 VanDerWaalsContact NH1-CG 3.32Å; R177-D259 IonicContact NH1-OD1 3.84Å; R177-D259 PolarHBondContact NH1-OD1 2.92Å; R177-D259 VanDerWaalsContact NH1-OD1 3.15Å; R177-D259 IonicContact NH1-OD2 3.47Å; R177-D259 PolarHBondContact NH1-OD2 2.83Å; R177-D259 IonicContact NH2-OD1 2.69Å; R177-D259 PolarHBondContact NH2-OD1 3.42Å; R177-D259 IonicContact NH2-OD2 3.78Å; R177-D259 PolarHBondContact NH2-OD2 3.3Å; R177-D259 VanDerWaalsContact NH2-OD2 3.16Å
178E88.8Confident86.5Confident31 Ų3148.5 Ų48.515%0.14527%0.271CS..Hα-helixtrans-63.1-43.8-179.7-69.6170.5-160.300110.9I170 T171 G172 E173 N174 V175 A181 L182I170-E178 HydrophobicContact CB-CB 3.98Å; I170-E178 VanDerWaalsContact CB-OE2 3.25Å; I170-E178 WeakPolarHBondContact CB-OE2 3.47Å; I170-E178 HydrophobicContact CG2-CB 3.87Å; T171-E178 PolarHBondContact N-OE2 2.9Å; T171-E178 PolarHBondContact OG1-OE1 3.12Å; T171-E178 PolarHBondContact OG1-OE2 2.79Å; T171-E178 VanDerWaalsContact OG1-OE2 3.14Å; G172-E178 PolarHBondContact N-OE2 3.21Å; E173-E178 WeakPolarHBondContact CA-OE1 3.23Å; E173-E178 WeakPolarHBondContact CB-OE1 3.25Å; E173-E178 PolarHBondContact N-OE1 2.76Å; N174-E178 PolarHBondContact N-OE1 3.42Å; N174-E178 WeakPolarHBondContact O-CB 3.46Å; N174-E178 WeakPolarHBondContact O-CG 3.41Å; N174-E178 PolarHBondContact O-N 3.39Å; V175-E178 PolarHBondContact O-N 2.84Å; E178-A181 PolarHBondContact O-N 3.36Å; E178-L182 WeakPolarHBondContact O-CG 3.33Å; E178-L182 PolarHBondContact O-N 3.07Å; E178-L182 VanDerWaalsContact O-N 3.15Å
179L86.1Confident86.8Confident1 Ų150.9 Ų50.91%0.00529%0.286CS..Hα-helixtrans-63.7-41.6175.1-69.9174.5000112.2Y168 I170 V175 L182 V183 I423 V430 V433Y168-L179 HydrophobicContact CD1-CD2 4.16Å; Y168-L179 HydrophobicContact CG-CD2 4.19Å; I170-L179 HydrophobicContact CD1-CD2 4.28Å; I170-L179 HydrophobicContact CD1-CG 4.33Å; I170-L179 HydrophobicContact CG2-CD2 3.89Å; I170-L179 HydrophobicContact CG2-CG 4.4Å; V175-L179 HydrophobicContact CG1-CD1 3.69Å; V175-L179 HydrophobicContact CG1-CG 4.24Å; V175-L179 WeakPolarHBondContact O-CB 3.44Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 3.22Å; L179-L182 PolarHBondContact O-N 2.82Å; L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.69Å; L179-I423 HydrophobicContact CB-CD1 4.42Å; L179-I423 HydrophobicContact CD2-CD1 3.9Å; L179-V430 HydrophobicContact CB-CG1 4.24Å; L179-V430 HydrophobicContact CD1-CG1 4.25Å; L179-V433 HydrophobicContact CD1-CB 4.22Å; L179-V433 HydrophobicContact CD1-CG1 3.82Å
180Q83.8Confident87.2Confident42 Ų4249.1 Ų49.120%0.19627%0.268CS..Hα-helixtrans-65.3-38.6176-75.1177.7-10.500112.3Q176 R177 L182 V183 K184Q176-Q180 WeakPolarHBondContact O-CB 3.25Å; Q176-Q180 VanDerWaalsContact O-CG 3.28Å; Q176-Q180 WeakPolarHBondContact O-CG 3.5Å; Q176-Q180 PolarHBondContact O-N 2.94Å; Q176-Q180 VanDerWaalsContact O-N 3.13Å; R177-Q180 PolarHBondContact O-N 3.33Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 3.47Å; Q180-V183 PolarHBondContact O-N 3.27Å; Q180-K184 PolarHBondContact O-N 2.87Å
181A85.4Confident87.4Confident48 Ų4853.4 Ų53.440%0.39729%0.287SS..Hα-helixtrans-62.1-41.6177.200000111.6R177 E178 V183 K184 D185R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 3.13Å; E178-A181 PolarHBondContact O-N 3.36Å; A181-V183 PolarHBondContact O-N 3.04Å; A181-K184 WeakPolarHBondContact O-CB 3.43Å; A181-K184 PolarHBondContact O-N 2.96Å; A181-D185 PolarHBondContact O-N 3.46Å
182L83.8Confident87.7Confident25 Ų2553 Ų5313%0.13128%0.279CS..Hα-helixtrans-60.9-31177.3-70.4175000113.6Y168 I170 E178 L179 Q180 L186 L420Y168-L182 WeakPolarHBondContact O-CD1 3.17Å; I170-L182 HydrophobicContact CG2-CD1 3.55Å; E178-L182 WeakPolarHBondContact O-CG 3.33Å; E178-L182 PolarHBondContact O-N 3.07Å; E178-L182 VanDerWaalsContact O-N 3.15Å; L179-L182 PolarHBondContact O-N 2.82Å; Q180-L182 VanDerWaalsContact C-N 3.34Å; Q180-L182 PolarHBondContact O-N 3.47Å; L182-L186 PolarHBondContact O-N 3.36Å; L182-L420 HydrophobicContact CB-CD2 3.54Å; L182-L420 HydrophobicContact CD1-CD2 4.33Å
183V83.1Confident88.1Confident21 Ų2152.3 Ų52.313%0.12727%0.271CS..Hα-helixtrans-73.3-32.5176.8-178.70000111.2L179 Q180 A181 D185 L186 P187 I423 Q424L179-V183 WeakPolarHBondContact O-CG2 3.49Å; L179-V183 PolarHBondContact O-N 2.69Å; Q180-V183 PolarHBondContact O-N 3.27Å; A181-V183 PolarHBondContact O-N 3.04Å; V183-D185 PolarHBondContact O-N 3.47Å; V183-L186 WeakPolarHBondContact O-CB 3.33Å; V183-L186 PolarHBondContact O-N 3.05Å; V183-P187 WeakPolarHBondContact O-CD 3.4Å; V183-I423 HydrophobicContact CG2-CB 3.92Å; V183-I423 HydrophobicContact CG2-CG2 3.16Å; V183-Q424 HydrophobicContact CG1-CB 4.34Å
184K84.6Confident88.5Confident116 Ų11644 Ų4450%0.50423%0.233SC..Hα-helixtrans-63.1-31.8176.8-68.7-175.9172-171.80111.8Q180 A181 P187 E255Q180-K184 PolarHBondContact O-N 2.87Å; A181-K184 WeakPolarHBondContact O-CB 3.43Å; A181-K184 PolarHBondContact O-N 2.96Å; K184-P187 WeakPolarHBondContact O-CD 3.27Å; K184-E255 IonicContact NZ-OE1 2.73Å; K184-E255 PolarHBondContact NZ-OE1 3.48Å
185D85.1Confident88.9Confident105 Ų10549.9 Ų49.956%0.56125%0.252SS*.Hα-helixtrans-85.2-16.1179.1-62.3-26.1000113.2A181 V183 A188 V189A181-D185 PolarHBondContact O-N 3.46Å; V183-D185 PolarHBondContact O-N 3.47Å; D185-A188 PolarHBondContact O-N 3.2Å; D185-V189 PolarHBondContact O-N 2.93Å
186L88.9Confident89.3Confident1 Ų150.9 Ų50.91%0.00526%0.257CS..Hα-helixtrans-56.9-44.2-176.4179.964.4000113.9L182 V183 A188 V189 L190 M417 L420 F421 Q424L182-L186 PolarHBondContact O-N 3.36Å; V183-L186 WeakPolarHBondContact O-CB 3.33Å; V183-L186 PolarHBondContact O-N 3.05Å; L186-A188 VanDerWaalsContact C-N 3.28Å; L186-A188 PolarHBondContact O-N 2.83Å; L186-V189 PolarHBondContact O-N 3.09Å; L186-V189 VanDerWaalsContact O-N 3.15Å; L186-L190 HydrophobicContact CD1-CD1 4.19Å; L186-L190 HydrophobicContact CD1-CD2 4.45Å; L186-L190 HydrophobicContact CD1-CG 4.09Å; L186-L190 HydrophobicContact CG-CD1 3.95Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.07Å; L186-M417 HydrophobicContact CD1-CE 3.77Å; L186-M417 HydrophobicContact CD1-SD 3.59Å; L186-M417 VanDerWaalsContact CD1-SD 3.59Å; L186-L420 HydrophobicContact CD1-CB 4.19Å; L186-L420 HydrophobicContact CD1-CD1 4.18Å; L186-L420 HydrophobicContact CD2-CB 4.19Å; L186-F421 HydrophobicContact CD1-CE1 4.27Å; L186-F421 HydrophobicContact CD2-CD1 4.21Å; L186-F421 HydrophobicContact CD2-CE1 4.39Å; L186-Q424 HydrophobicContact CD2-CB 4.25Å; L186-Q424 VanDerWaalsContact CD2-OE1 3.25Å
187P89.6Confident89.7Confident26 Ų2648.3 Ų48.317%0.16925%0.245CC..Hα-helixtrans-57.7-39.9179.3-24.834.5000113V183 K184 V189 L190 E191V183-P187 WeakPolarHBondContact O-CD 3.4Å; K184-P187 WeakPolarHBondContact O-CD 3.27Å; P187-V189 PolarHBondContact O-N 3.49Å; P187-L190 PolarHBondContact O-N 3.43Å; P187-E191 WeakPolarHBondContact O-CG 3.17Å; P187-E191 PolarHBondContact O-N 3.06Å
188A90.8Very high90.2Very high63 Ų6346.6 Ų46.652%0.52125%0.249SC..Hα-helixtrans-66.2-38.8178.700000112D185 L186 L190 E191 E192D185-A188 PolarHBondContact O-N 3.2Å; L186-A188 VanDerWaalsContact C-N 3.28Å; L186-A188 PolarHBondContact O-N 2.83Å; A188-L190 VanDerWaalsContact C-N 3.34Å; A188-E191 PolarHBondContact O-N 3.24Å; A188-E192 PolarHBondContact O-N 3.44Å
189V91.5Very high90.5Very high57 Ų5751.2 Ų51.235%0.34527%0.268SS..Hα-helixtrans-63.1-42174.61780000110.8D185 L186 P187 E192 V193 M417D185-V189 PolarHBondContact O-N 2.93Å; L186-V189 PolarHBondContact O-N 3.09Å; L186-V189 VanDerWaalsContact O-N 3.15Å; P187-V189 PolarHBondContact O-N 3.49Å; V189-E192 PolarHBondContact O-N 3.38Å; V189-V193 WeakPolarHBondContact O-CG2 3.39Å; V189-V193 PolarHBondContact O-N 3.2Å; V189-V193 VanDerWaalsContact O-N 3.13Å; V189-M417 HydrophobicContact CG1-CE 3.91Å
190L93.8Very high91Very high0 Ų051.2 Ų51.20%027%0.268CS..Hα-helixtrans-71-36.5179.1-64.8175.8000112.6L186 P187 A188 E192 V193 G194 L344 E345 L412 M417 F421L186-L190 HydrophobicContact CD1-CD1 4.19Å; L186-L190 HydrophobicContact CD1-CD2 4.45Å; L186-L190 HydrophobicContact CD1-CG 4.09Å; L186-L190 HydrophobicContact CG-CD1 3.95Å; L186-L190 HydrophobicContact CG-CG 4.29Å; L186-L190 WeakPolarHBondContact O-CG 3.37Å; L186-L190 PolarHBondContact O-N 3.07Å; P187-L190 PolarHBondContact O-N 3.43Å; A188-L190 VanDerWaalsContact C-N 3.34Å; L190-E192 VanDerWaalsContact C-N 3.29Å; L190-E192 PolarHBondContact O-N 3.28Å; L190-V193 PolarHBondContact O-N 3.46Å; L190-G194 PolarHBondContact O-N 3.27Å; L190-L344 HydrophobicContact CB-CB 4.18Å; L190-L344 HydrophobicContact CD1-CB 4.35Å; L190-L344 HydrophobicContact CD2-CB 4.08Å; L190-L344 HydrophobicContact CG-CB 4.43Å; L190-L344 WeakPolarHBondContact O-CD1 3.46Å; L190-E345 HydrophobicContact CD1-CB 4.42Å; L190-E345 HydrophobicContact CD1-CG 3.5Å; L190-L412 HydrophobicContact CD2-CD2 3.81Å; L190-M417 HydrophobicContact CD2-CE 3.46Å; L190-M417 VanDerWaalsContact CD2-CE 3.46Å; L190-M417 HydrophobicContact CG-CE 4.31Å; L190-F421 HydrophobicContact CD1-CE1 4.22Å; L190-F421 HydrophobicContact CD2-CE1 4.02Å; L190-F421 HydrophobicContact CD2-CZ 4.05Å
191E94.1Very high91.6Very high105 Ų10553.9 Ų53.949%0.49128%0.281SS..Hα-helixtrans-59-40.9171.7-79.8-177.7-172.200112.3P187 A188 G194 R195P187-E191 WeakPolarHBondContact O-CG 3.17Å; P187-E191 PolarHBondContact O-N 3.06Å; A188-E191 PolarHBondContact O-N 3.24Å; E191-G194 PolarHBondContact O-N 2.88Å; E191-R195 WeakPolarHBondContact O-CB 3.21Å; E191-R195 PolarHBondContact O-N 3.06Å
192E95Very high92.1Very high94 Ų9455.1 Ų55.144%0.43928%0.278SS..Hα-helixtrans-66.1-42.3175.7-171.4-177.6-150.700111.7A188 V189 L190 G194 R195 D196 R411A188-E192 PolarHBondContact O-N 3.44Å; V189-E192 PolarHBondContact O-N 3.38Å; L190-E192 VanDerWaalsContact C-N 3.29Å; L190-E192 PolarHBondContact O-N 3.28Å; E192-G194 PolarHBondContact O-N 2.92Å; E192-R195 WeakPolarHBondContact O-CB 3.32Å; E192-R195 PolarHBondContact O-N 3.13Å; E192-D196 WeakPolarHBondContact O-CB 3.29Å; E192-D196 PolarHBondContact O-N 3.36Å; E192-R411 VanDerWaalsContact CD-NH2 3.34Å; E192-R411 IonicContact OE2-CZ 4Å; E192-R411 IonicContact OE2-NH2 3.35Å; E192-R411 PolarHBondContact OE2-NH2 2.9Å
193V95Very high92.7Very high0 Ų054 Ų540%027%0.272CS..Hα-helixtrans-58.8-46.4174172.60000111.3V189 L190 R195 D196 A197 L344 F353 L408 R411 L412V189-V193 WeakPolarHBondContact O-CG2 3.39Å; V189-V193 PolarHBondContact O-N 3.2Å; V189-V193 VanDerWaalsContact O-N 3.13Å; L190-V193 PolarHBondContact O-N 3.46Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 2.76Å; V193-D196 PolarHBondContact O-N 2.86Å; V193-A197 PolarHBondContact O-N 3.34Å; V193-L344 HydrophobicContact CB-CD1 4.15Å; V193-L344 HydrophobicContact CG1-CD1 3.93Å; V193-F353 HydrophobicContact CG1-CE1 4.37Å; V193-L408 HydrophobicContact CG1-CD2 3.74Å; V193-L408 HydrophobicContact CG1-CG 4.06Å; V193-R411 HydrophobicContact CG2-CB 4.27Å; V193-L412 HydrophobicContact CG1-CD1 3.94Å; V193-L412 HydrophobicContact CG1-CD2 4.14Å; V193-L412 HydrophobicContact CG1-CG 4.07Å; V193-L412 HydrophobicContact CG2-CD2 4.39Å
194G94.3Very high93.3Very high1 Ų153.7 Ų53.71%0.0127%0.27CS..Hα-helixtrans-65-33.5177.400000113.1L190 E191 E192 A197L190-G194 PolarHBondContact O-N 3.27Å; E191-G194 PolarHBondContact O-N 2.88Å; E192-G194 PolarHBondContact O-N 2.92Å; G194-A197 WeakPolarHBondContact O-CB 3.23Å; G194-A197 PolarHBondContact O-N 3.27Å
195R95.3Very high93.9Very high168 Ų16852.5 Ų52.563%0.63427%0.266SS*.Hα-helixtrans-67.3-41.4172.9-171.5-173.8-57.4154.16.7111.6E191 E192 V193 A197 A198E191-R195 WeakPolarHBondContact O-CB 3.21Å; E191-R195 PolarHBondContact O-N 3.06Å; E192-R195 WeakPolarHBondContact O-CB 3.32Å; E192-R195 PolarHBondContact O-N 3.13Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 2.76Å; R195-A197 VanDerWaalsContact C-N 3.26Å; R195-A197 PolarHBondContact O-N 3.24Å; R195-A198 WeakPolarHBondContact O-CB 3.24Å; R195-A198 PolarHBondContact O-N 3.49Å
196D95.5Very high94.4Very high27 Ų2747.8 Ų47.814%0.14424%0.241CC..Hα-helixtrans-70.2-23.8179.2-74.2-31.4000112.5E192 V193 A198 K199 L408 R411E192-D196 WeakPolarHBondContact O-CB 3.29Å; E192-D196 PolarHBondContact O-N 3.36Å; V193-D196 PolarHBondContact O-N 2.86Å; D196-A198 PolarHBondContact O-N 2.99Å; D196-A198 VanDerWaalsContact O-N 3.13Å; D196-K199 HydrophobicContact CB-CD 4.44Å; D196-K199 VanDerWaalsContact O-CB 3.25Å; D196-K199 WeakPolarHBondContact O-CB 3.27Å; D196-K199 WeakPolarHBondContact O-CG 3.5Å; D196-K199 PolarHBondContact O-N 3.36Å; D196-K199 WeakPolarHBondContact OD1-CE 3.37Å; D196-K199 IonicContact OD1-NZ 3.28Å; D196-K199 PolarHBondContact OD1-NZ 3.37Å; D196-L408 HydrophobicContact CB-CD1 3.77Å; D196-R411 IonicContact OD2-CZ 2.76Å; D196-R411 IonicContact OD2-NH1 3.79Å; D196-R411 PolarHBondContact OD2-NH1 3.08Å
197A95.3Very high94.7Very high0 Ų049.2 Ų49.20%025%0.246CC..G310 helixtrans-57.9-25.3171.900000112.6V193 G194 R195 K199 L200 Q229 F353V193-A197 PolarHBondContact O-N 3.34Å; G194-A197 WeakPolarHBondContact O-CB 3.23Å; G194-A197 PolarHBondContact O-N 3.27Å; R195-A197 VanDerWaalsContact C-N 3.26Å; R195-A197 PolarHBondContact O-N 3.24Å; A197-K199 PolarHBondContact O-N 3.19Å; A197-K199 VanDerWaalsContact O-N 3.15Å; A197-L200 WeakPolarHBondContact O-CB 3.47Å; A197-L200 PolarHBondContact O-N 3.45Å; A197-Q229 WeakPolarHBondContact O-CG 3.45Å; A197-F353 HydrophobicContact CB-CE2 4.38Å; A197-F353 HydrophobicContact CB-CZ 4.13Å
198A94.5Very high95Very high48 Ų4849.7 Ų49.740%0.39725%0.253SS..G310 helixtrans-57.6-26.5173.400000113.1R195 D196 L200R195-A198 WeakPolarHBondContact O-CB 3.24Å; R195-A198 PolarHBondContact O-N 3.49Å; D196-A198 PolarHBondContact O-N 2.99Å; D196-A198 VanDerWaalsContact O-N 3.13Å; A198-L200 PolarHBondContact O-N 3.29Å
199K95.1Very high95.2Very high127 Ų12747.6 Ų47.655%0.55224%0.235SC*.G310 helixtrans-72.7-15.6178.7-60.8167176.4164.10113.1D196 A197 E201 Q203D196-K199 HydrophobicContact CB-CD 4.44Å; D196-K199 VanDerWaalsContact O-CB 3.25Å; D196-K199 WeakPolarHBondContact O-CB 3.27Å; D196-K199 WeakPolarHBondContact O-CG 3.5Å; D196-K199 PolarHBondContact O-N 3.36Å; D196-K199 WeakPolarHBondContact OD1-CE 3.37Å; D196-K199 IonicContact OD1-NZ 3.28Å; D196-K199 PolarHBondContact OD1-NZ 3.37Å; A197-K199 PolarHBondContact O-N 3.19Å; A197-K199 VanDerWaalsContact O-N 3.15Å; K199-E201 PolarHBondContact O-N 3.44Å; K199-Q203 PolarHBondContact O-OE1 2.8Å
200L96.3Very high95.3Very high2 Ų245.8 Ų45.81%0.0122%0.223CC..G310 helixtrans-84.610.5-173.1-59.3-179.7000114.2A197 A198 E202 Q203 I204 L225 L357 Q404 V405 L408A197-L200 WeakPolarHBondContact O-CB 3.47Å; A197-L200 PolarHBondContact O-N 3.45Å; A198-L200 PolarHBondContact O-N 3.29Å; L200-E202 VanDerWaalsContact C-N 3.34Å; L200-E202 PolarHBondContact O-N 2.82Å; L200-Q203 PolarHBondContact O-N 2.95Å; L200-Q203 PolarHBondContact O-OE1 2.94Å; L200-I204 HydrophobicContact CB-CD1 4.32Å; L200-I204 VanDerWaalsContact O-CG1 3.27Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 2.91Å; L200-L225 HydrophobicContact CD1-CD1 3.88Å; L200-L357 HydrophobicContact CD1-CD2 3.65Å; L200-Q404 HydrophobicContact CD2-CB 4.38Å; L200-V405 HydrophobicContact CD2-CG2 3.88Å; L200-L408 HydrophobicContact CD1-CD1 4.3Å
201E96Very high95.3Very high97 Ų9746.6 Ų46.645%0.45323%0.228SC..Hα-helixtrans-58.7-43.8-175.4-177.5155.8-176.300112.6K199 I204 Q205 Q229K199-E201 PolarHBondContact O-N 3.44Å; E201-I204 PolarHBondContact O-N 3.41Å; E201-Q205 HydrophobicContact CG-CG 4.45Å; E201-Q205 WeakPolarHBondContact O-CB 3.41Å; E201-Q205 VanDerWaalsContact O-CG 3.24Å; E201-Q205 WeakPolarHBondContact O-CG 3.46Å; E201-Q205 PolarHBondContact O-N 3.49Å; E201-Q205 PolarHBondContact OE1-NE2 2.93Å; E201-Q205 VanDerWaalsContact OE1-NE2 3.12Å; E201-Q229 PolarHBondContact OE2-NE2 2.72Å
202E95.9Very high95.3Very high74 Ų7445.7 Ų45.735%0.34623%0.226SC..Hα-helixtrans-68-40-179.1-173.6172.9-177.400111.9L200 Q205 L206 H397 L401L200-E202 VanDerWaalsContact C-N 3.34Å; L200-E202 PolarHBondContact O-N 2.82Å; E202-Q205 PolarHBondContact O-N 3.16Å; E202-L206 VanDerWaalsContact O-CB 3.28Å; E202-L206 WeakPolarHBondContact O-CB 3.12Å; E202-L206 PolarHBondContact O-N 3.26Å; E202-H397 IonicContact OE1-CD2 2.64Å; E202-H397 IonicContact OE1-CE1 3.58Å; E202-H397 IonicContact OE1-NE2 2.86Å; E202-H397 PolarHBondContact OE1-NE2 3.24Å; E202-H397 IonicContact OE2-CE1 3.55Å; E202-H397 IonicContact OE2-NE2 2.78Å; E202-H397 PolarHBondContact OE2-NE2 3.25Å; E202-L401 HydrophobicContact CB-CD2 4.21Å; E202-L401 HydrophobicContact CG-CD1 4.32Å; E202-L401 HydrophobicContact CG-CD2 4.19Å
203Q96.8Very high95.2Very high1 Ų144 Ų441%0.00522%0.218CC..Hα-helixtrans-62.1-45.6177.9-64.186.9-27.500111K199 L200 L206 Y207 L360 L364 L401 Q404 V405K199-Q203 PolarHBondContact O-OE1 2.8Å; L200-Q203 PolarHBondContact O-N 2.95Å; L200-Q203 PolarHBondContact O-OE1 2.94Å; Q203-L206 PolarHBondContact O-N 3.45Å; Q203-Y207 WeakPolarHBondContact O-CB 3.38Å; Q203-Y207 PolarHBondContact O-N 3.36Å; Q203-L360 HydrophobicContact CB-CD1 4.16Å; Q203-L360 HydrophobicContact CB-CD2 3.75Å; Q203-L360 HydrophobicContact CB-CG 4.23Å; Q203-L364 HydrophobicContact CB-CD1 4.4Å; Q203-L364 HydrophobicContact CG-CD1 4.03Å; Q203-L401 HydrophobicContact CG-CB 3.83Å; Q203-L401 HydrophobicContact CG-CD1 4.5Å; Q203-L401 HydrophobicContact CG-CD2 3.95Å; Q203-L401 HydrophobicContact CG-CG 4.29Å; Q203-L401 PolarHBondContact NE2-O 3.48Å; Q203-Q404 VanDerWaalsContact NE2-OE1 3.07Å; Q203-V405 HydrophobicContact CB-CG2 4.44Å; Q203-V405 HydrophobicContact CG-CG2 4.01Å
204I96.8Very high94.9Very high15 Ų1548 Ų488%0.07724%0.242CC..Hα-helixtrans-64.5-45.1177.8-64.6165.1000110.5L200 E201 L206 Y207 A208 L222 L225 Q229L200-I204 HydrophobicContact CB-CD1 4.32Å; L200-I204 VanDerWaalsContact O-CG1 3.27Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 2.91Å; E201-I204 PolarHBondContact O-N 3.41Å; I204-L206 PolarHBondContact O-N 3.48Å; I204-Y207 PolarHBondContact O-N 2.89Å; I204-A208 WeakPolarHBondContact O-CB 3.46Å; I204-A208 PolarHBondContact O-N 3.48Å; I204-L222 HydrophobicContact CG1-CD1 4.44Å; I204-L225 HydrophobicContact CD1-CD2 4.29Å; I204-L225 HydrophobicContact CD1-CG 4.02Å; I204-L225 HydrophobicContact CG1-CD2 4.14Å; I204-L225 HydrophobicContact CG1-CG 4.42Å; I204-Q229 HydrophobicContact CD1-CB 4.06Å; I204-Q229 HydrophobicContact CD1-CG 4.06Å
205Q95.7Very high94.8Very high92 Ų9252.1 Ų52.143%0.4327%0.27SS..Hα-helixtrans-63.9-41.5178.5-72.8177.711.600112E201 E202 A209 I389E201-Q205 HydrophobicContact CG-CG 4.45Å; E201-Q205 WeakPolarHBondContact O-CB 3.41Å; E201-Q205 VanDerWaalsContact O-CG 3.24Å; E201-Q205 WeakPolarHBondContact O-CG 3.46Å; E201-Q205 PolarHBondContact O-N 3.49Å; E201-Q205 PolarHBondContact OE1-NE2 2.93Å; E201-Q205 VanDerWaalsContact OE1-NE2 3.12Å; E202-Q205 PolarHBondContact O-N 3.16Å; Q205-A209 VanDerWaalsContact O-CB 3.27Å; Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 3.25Å; Q205-I389 HydrophobicContact CB-CD1 3.54Å
206L95.9Very high94.5Very high5 Ų550.7 Ų50.73%0.02627%0.274CS..Hα-helixtrans-62.8-45.7176.3179.360.7000110.7E202 Q203 I204 A209 F210 F363 L364 I389 I390 Q393 L401E202-L206 VanDerWaalsContact O-CB 3.28Å; E202-L206 WeakPolarHBondContact O-CB 3.12Å; E202-L206 PolarHBondContact O-N 3.26Å; Q203-L206 PolarHBondContact O-N 3.45Å; I204-L206 PolarHBondContact O-N 3.48Å; L206-A209 PolarHBondContact O-N 3.47Å; L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.49Å; L206-F210 PolarHBondContact O-N 3.17Å; L206-F363 HydrophobicContact CD2-CE1 4.35Å; L206-F363 HydrophobicContact CG-CE1 4.14Å; L206-F363 HydrophobicContact CG-CZ 4.26Å; L206-L364 HydrophobicContact CD2-CD2 4.22Å; L206-I389 HydrophobicContact CD1-CG1 4.43Å; L206-I389 WeakPolarHBondContact CD1-O 3.48Å; L206-I390 HydrophobicContact CD1-CG1 4.35Å; L206-Q393 HydrophobicContact CD1-CG 3.87Å; L206-Q393 HydrophobicContact CD2-CG 4.24Å; L206-L401 HydrophobicContact CD2-CD1 4Å
207Y96.7Very high94.2Very high31 Ų3155.4 Ų55.412%0.12229%0.29CS..Hα-helixtrans-61.1-50.4177.3-175.3-118.6000112.1Q203 I204 A209 F210 T211 V221 L222 E359 L360 F363Q203-Y207 WeakPolarHBondContact O-CB 3.38Å; Q203-Y207 PolarHBondContact O-N 3.36Å; I204-Y207 PolarHBondContact O-N 2.89Å; Y207-A209 PolarHBondContact O-N 2.98Å; Y207-F210 PolarHBondContact O-N 3.47Å; Y207-F210 VanDerWaalsContact O-N 3.09Å; Y207-T211 HydrophobicContact CD1-CG2 4.38Å; Y207-T211 HydrophobicContact CD2-CG2 4.1Å; Y207-T211 HydrophobicContact CE1-CG2 3.99Å; Y207-T211 HydrophobicContact CE2-CG2 3.65Å; Y207-T211 HydrophobicContact CG-CG2 4.44Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 2.97Å; Y207-T211 PolarHBondContact O-OG1 3.16Å; Y207-V221 HydrophobicContact CD1-CB 4.1Å; Y207-V221 HydrophobicContact CD1-CG2 3.9Å; Y207-V221 HydrophobicContact CE1-CB 4Å; Y207-V221 HydrophobicContact CE1-CG1 4.33Å; Y207-V221 HydrophobicContact CE1-CG2 4.31Å; Y207-L222 HydrophobicContact CD1-CD1 3.53Å; Y207-L222 HydrophobicContact CD1-CD2 4.32Å; Y207-L222 HydrophobicContact CD1-CG 3.81Å; Y207-L222 HydrophobicContact CE1-CD1 4.08Å; Y207-L222 HydrophobicContact CE1-CD2 4Å; Y207-L222 HydrophobicContact CE1-CG 3.93Å; Y207-L222 HydrophobicContact CG-CD1 4.31Å; Y207-E359 HydrophobicContact CE1-CG 4.43Å; Y207-E359 VanDerWaalsContact CE1-OE1 3.24Å; Y207-E359 WeakPolarHBondContact CE1-OE1 3.35Å; Y207-E359 PolarHBondContact OH-OE1 3.05Å; Y207-L360 HydrophobicContact CG-CD1 4.17Å; Y207-F363 HydrophobicContact CD2-CB 3.85Å; Y207-F363 AromaticContact CD2-CD1 3.58Å; Y207-F363 HydrophobicContact CD2-CD1 3.58Å; Y207-F363 AromaticContact CD2-CD2 3.78Å; Y207-F363 HydrophobicContact CD2-CD2 3.78Å; Y207-F363 HydrophobicContact CD2-CE1 4.03Å; Y207-F363 HydrophobicContact CD2-CE2 4.21Å; Y207-F363 AromaticContact CD2-CG 3.44Å; Y207-F363 HydrophobicContact CD2-CG 3.44Å; Y207-F363 VanDerWaalsContact CD2-CG 3.44Å; Y207-F363 HydrophobicContact CD2-CZ 4.32Å; Y207-F363 HydrophobicContact CE2-CB 3.88Å; Y207-F363 HydrophobicContact CE2-CD1 4.43Å; Y207-F363 HydrophobicContact CE2-CD2 4.05Å; Y207-F363 AromaticContact CE2-CG 3.86Å; Y207-F363 HydrophobicContact CE2-CG 3.86Å; Y207-F363 HydrophobicContact CG-CD1 4.33Å
208A95.7Very high93.6Very high37 Ų3760.8 Ų60.831%0.30633%0.328SS..Hα-helixtrans-61.2-40.9179.200000112.8I204 F210 T211 N212 V221I204-A208 WeakPolarHBondContact O-CB 3.46Å; I204-A208 PolarHBondContact O-N 3.48Å; A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 PolarHBondContact O-N 3.05Å; A208-T211 PolarHBondContact O-OG1 2.6Å; A208-T211 VanDerWaalsContact O-OG1 3.13Å; A208-N212 VanDerWaalsContact O-CB 3.29Å; A208-N212 WeakPolarHBondContact O-CB 3.4Å; A208-N212 PolarHBondContact O-N 3.35Å; A208-N212 VanDerWaalsContact O-N 3.14Å; A208-V221 HydrophobicContact CB-CG2 3.61Å
209A94.6Very high93.4Very high19 Ų1964.6 Ų64.616%0.15734%0.338CS..Hα-helixtrans-65.5-37.8175.600000111.5Q205 L206 Y207 F213 I389 I390Q205-A209 VanDerWaalsContact O-CB 3.27Å; Q205-A209 WeakPolarHBondContact O-CB 3.33Å; Q205-A209 PolarHBondContact O-N 3.25Å; L206-A209 PolarHBondContact O-N 3.47Å; Y207-A209 PolarHBondContact O-N 2.98Å; A209-F213 VanDerWaalsContact O-CB 3.26Å; A209-F213 WeakPolarHBondContact O-CB 3.19Å; A209-F213 PolarHBondContact O-N 2.93Å; A209-I389 HydrophobicContact CB-CG2 3.35Å; A209-I390 HydrophobicContact CB-CD1 4.39Å; A209-I390 HydrophobicContact CB-CG1 4.29Å
210F93.6Very high93.1Very high19 Ų1964.1 Ų64.18%0.08335%0.347CS..Hα-helixtrans-71.1-46.2-179-162.6-84.1000112.4L206 Y207 A208 N212 F213 V214 F363 R367 F383 I390L206-F210 VanDerWaalsContact O-CB 3.26Å; L206-F210 WeakPolarHBondContact O-CB 3.49Å; L206-F210 PolarHBondContact O-N 3.17Å; Y207-F210 PolarHBondContact O-N 3.47Å; Y207-F210 VanDerWaalsContact O-N 3.09Å; A208-F210 VanDerWaalsContact C-N 3.3Å; A208-F210 PolarHBondContact O-N 3.05Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-N212 PolarHBondContact O-N 3.14Å; F210-F213 PolarHBondContact O-N 3.36Å; F210-V214 HydrophobicContact CD1-CB 4.48Å; F210-V214 HydrophobicContact CD1-CG2 3.9Å; F210-V214 HydrophobicContact CE1-CB 4.18Å; F210-V214 HydrophobicContact CE1-CG2 3.43Å; F210-V214 VanDerWaalsContact CE1-CG2 3.43Å; F210-V214 HydrophobicContact CE2-CG2 4.29Å; F210-V214 HydrophobicContact CG-CG2 4.49Å; F210-V214 HydrophobicContact CZ-CG2 3.61Å; F210-V214 WeakPolarHBondContact O-CB 3.3Å; F210-V214 WeakPolarHBondContact O-CG2 3.22Å; F210-V214 PolarHBondContact O-N 3.22Å; F210-F363 HydrophobicContact CB-CE2 3.92Å; F210-F363 HydrophobicContact CB-CZ 3.84Å; F210-F363 HydrophobicContact CD1-CD2 4.49Å; F210-F363 AromaticContact CD1-CE2 3.61Å; F210-F363 HydrophobicContact CD1-CE2 3.61Å; F210-F363 HydrophobicContact CD1-CZ 4.36Å; F210-F363 HydrophobicContact CD2-CE2 4.19Å; F210-F363 HydrophobicContact CD2-CZ 4.3Å; F210-F363 HydrophobicContact CE1-CE2 4.21Å; F210-F363 AromaticContact CG-CE2 3.62Å; F210-F363 HydrophobicContact CG-CE2 3.62Å; F210-F363 AromaticContact CG-CZ 3.9Å; F210-F363 HydrophobicContact CG-CZ 3.9Å; F210-R367 VanDerWaalsContact CE2-NH1 3.32Å; F210-R367 VanDerWaalsContact CZ-NH2 3.32Å; F210-F383 AromaticContact CE2-CE1 3.5Å; F210-F383 HydrophobicContact CE2-CE1 3.5Å; F210-F383 AromaticContact CE2-CZ 3.85Å; F210-F383 HydrophobicContact CE2-CZ 3.85Å; F210-F383 AromaticContact CZ-CE1 3.84Å; F210-F383 HydrophobicContact CZ-CE1 3.84Å; F210-F383 AromaticContact CZ-CZ 3.93Å; F210-F383 HydrophobicContact CZ-CZ 3.93Å; F210-I390 HydrophobicContact CB-CD1 4.19Å; F210-I390 HydrophobicContact CD2-CD1 3.91Å; F210-I390 HydrophobicContact CD2-CG1 4.42Å; F210-I390 HydrophobicContact CD2-CG2 4.07Å; F210-I390 HydrophobicContact CE2-CG2 4.3Å; F210-I390 HydrophobicContact CG-CD1 4.42Å
211T93.7Very high93Very high17 Ų1765.1 Ų65.110%0.10435%0.354CS..Hα-helixtrans-63.3-40.9176.952.10000111.8Y207 A208 C215Y207-T211 HydrophobicContact CD1-CG2 4.38Å; Y207-T211 HydrophobicContact CD2-CG2 4.1Å; Y207-T211 HydrophobicContact CE1-CG2 3.99Å; Y207-T211 HydrophobicContact CE2-CG2 3.65Å; Y207-T211 HydrophobicContact CG-CG2 4.44Å; Y207-T211 WeakPolarHBondContact O-CG2 3.24Å; Y207-T211 PolarHBondContact O-N 2.97Å; Y207-T211 PolarHBondContact O-OG1 3.16Å; A208-T211 PolarHBondContact O-OG1 2.6Å; A208-T211 VanDerWaalsContact O-OG1 3.13Å; T211-C215 WeakPolarHBondContact O-CA 3.37Å; T211-C215 VanDerWaalsContact O-CB 3.26Å; T211-C215 WeakPolarHBondContact O-CB 3.45Å; T211-C215 PolarHBondContact O-N 3.14Å
212N93.6Very high93Very high86 Ų8660.7 Ų60.746%0.4633%0.333SS..Hα-helixtrans-63.8-44.2173.6-173.421.3000111.6A208 F210 D216A208-N212 VanDerWaalsContact O-CB 3.29Å; A208-N212 WeakPolarHBondContact O-CB 3.4Å; A208-N212 PolarHBondContact O-N 3.35Å; A208-N212 VanDerWaalsContact O-N 3.14Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-N212 PolarHBondContact O-N 3.14Å; N212-D216 VanDerWaalsContact O-CA 3.22Å; N212-D216 WeakPolarHBondContact O-CA 3.31Å; N212-D216 PolarHBondContact O-N 3.37Å
213F92.3Very high92.9Very high59 Ų5960.4 Ų60.426%0.25934%0.338SS..Hα-helixtrans-68.2-40.5-178.8176.1-107.4000113.8A209 F210 F383 L385 A386 I390A209-F213 VanDerWaalsContact O-CB 3.26Å; A209-F213 WeakPolarHBondContact O-CB 3.19Å; A209-F213 PolarHBondContact O-N 2.93Å; F210-F213 PolarHBondContact O-N 3.36Å; F213-F383 HydrophobicContact CD1-CD1 4.22Å; F213-F383 HydrophobicContact CD1-CE1 4.3Å; F213-F383 AromaticContact CE1-CD1 3.67Å; F213-F383 HydrophobicContact CE1-CD1 3.67Å; F213-F383 AromaticContact CE1-CE1 3.99Å; F213-F383 HydrophobicContact CE1-CE1 3.99Å; F213-L385 HydrophobicContact CE2-CB 4.31Å; F213-A386 HydrophobicContact CD1-CB 4.04Å; F213-A386 HydrophobicContact CD2-CB 4.29Å; F213-A386 HydrophobicContact CE1-CB 3.79Å; F213-A386 VanDerWaalsContact CE2-CA 3.49Å; F213-A386 HydrophobicContact CE2-CB 4.04Å; F213-A386 HydrophobicContact CG-CB 4.29Å; F213-A386 HydrophobicContact CZ-CB 3.79Å; F213-I390 HydrophobicContact CB-CD1 3.95Å; F213-I390 HydrophobicContact CD1-CD1 4.27Å; F213-I390 HydrophobicContact CG-CD1 4.27Å
214V90.3Very high92.9Very high82 Ų8260.4 Ų60.450%0.49734%0.338SS..Hα-helixtrans-89.3-34.4-174.1177.10000112.5F210F210-V214 HydrophobicContact CD1-CB 4.48Å; F210-V214 HydrophobicContact CD1-CG2 3.9Å; F210-V214 HydrophobicContact CE1-CB 4.18Å; F210-V214 HydrophobicContact CE1-CG2 3.43Å; F210-V214 VanDerWaalsContact CE1-CG2 3.43Å; F210-V214 HydrophobicContact CE2-CG2 4.29Å; F210-V214 HydrophobicContact CG-CG2 4.49Å; F210-V214 HydrophobicContact CZ-CG2 3.61Å; F210-V214 WeakPolarHBondContact O-CB 3.3Å; F210-V214 WeakPolarHBondContact O-CG2 3.22Å; F210-V214 PolarHBondContact O-N 3.22Å
215C90.6Very high92.8Very high89 Ų8959.7 Ų59.760%0.60133%0.334SS*.Hα-helixtrans-114.60.3-171.4-550000113.8T211 W217T211-C215 WeakPolarHBondContact O-CA 3.37Å; T211-C215 VanDerWaalsContact O-CB 3.26Å; T211-C215 WeakPolarHBondContact O-CB 3.45Å; T211-C215 PolarHBondContact O-N 3.14Å; C215-W217 HydrophobicContact CB-CB 4.32Å; C215-W217 PolarHBondContact O-N 2.98Å; C215-W217 VanDerWaalsContact O-N 3.15Å
216D89.1Confident92.8Very high137 Ų13756.8 Ų56.873%0.73332%0.323SS*.  trans51.431.3-169-69.8-36.2000112.5N212 S218N212-D216 VanDerWaalsContact O-CA 3.22Å; N212-D216 WeakPolarHBondContact O-CA 3.31Å; N212-D216 PolarHBondContact O-N 3.37Å; D216-S218 PolarHBondContact O-N 3.44Å
217W89.4Confident92.8Very high126 Ų12659 Ų5948%0.47733%0.332SS..  trans-76.5114.8-178-169.7-90.5000110.9C215 E219C215-W217 HydrophobicContact CB-CB 4.32Å; C215-W217 PolarHBondContact O-N 2.98Å; C215-W217 VanDerWaalsContact O-N 3.15Å; W217-E219 VanDerWaalsContact CD1-O 3.23Å; W217-E219 HydrophobicContact CZ2-CB 4.05Å; W217-E219 HydrophobicContact CZ2-CG 4.39Å; W217-E219 PolarHBondContact NE1-O 3.32Å
218S83.9Confident92.8Very high114 Ų11457.5 Ų57.580%0.79733%0.326SS*.  trans-102-7.8-176.962.10000114.9D216D216-S218 PolarHBondContact O-N 3.44Å
219E89.7Confident92.7Very high127 Ų12756.9 Ų56.959%0.59332%0.317SS*.SBendtrans-82.6155.9-179.6-59.2-170.8170.600111.7W217 V221W217-E219 VanDerWaalsContact CD1-O 3.23Å; W217-E219 HydrophobicContact CZ2-CB 4.05Å; W217-E219 HydrophobicContact CZ2-CG 4.39Å; W217-E219 PolarHBondContact NE1-O 3.32Å; E219-V221 PolarHBondContact O-N 3.15Å
220P88.9Confident92.7Very high117 Ų11763.4 Ų63.476%0.7634%0.342SS*.PPolyproline II helixtrans-57128.5175.5-22.933.7000111.6
221V93.8Very high92.7Very high23 Ų2365.1 Ų65.114%0.13936%0.356CS..SBendtrans-96.6150.4172-62.60000110.2Y207 A208 E219Y207-V221 HydrophobicContact CD1-CB 4.1Å; Y207-V221 HydrophobicContact CD1-CG2 3.9Å; Y207-V221 HydrophobicContact CE1-CB 4Å; Y207-V221 HydrophobicContact CE1-CG1 4.33Å; Y207-V221 HydrophobicContact CE1-CG2 4.31Å; A208-V221 HydrophobicContact CB-CG2 3.61Å; E219-V221 PolarHBondContact O-N 3.15Å
222L95.6Very high92.7Very high4 Ų465.1 Ų65.12%0.02136%0.359CS..SBendtrans49.755.2175.8-46.5175.8000113I204 Y207 M224 L225 T226 E356 E359 L360I204-L222 HydrophobicContact CG1-CD1 4.44Å; Y207-L222 HydrophobicContact CD1-CD1 3.53Å; Y207-L222 HydrophobicContact CD1-CD2 4.32Å; Y207-L222 HydrophobicContact CD1-CG 3.81Å; Y207-L222 HydrophobicContact CE1-CD1 4.08Å; Y207-L222 HydrophobicContact CE1-CD2 4Å; Y207-L222 HydrophobicContact CE1-CG 3.93Å; Y207-L222 HydrophobicContact CG-CD1 4.31Å; L222-M224 PolarHBondContact O-N 3.44Å; L222-L225 HydrophobicContact CB-CB 4.12Å; L222-L225 HydrophobicContact CB-CD2 4.44Å; L222-L225 HydrophobicContact CD1-CD2 4.09Å; L222-L225 PolarHBondContact O-N 2.92Å; L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 PolarHBondContact O-OG1 3.03Å; L222-E356 VanDerWaalsContact CA-OE2 3.23Å; L222-E356 WeakPolarHBondContact CA-OE2 3.32Å; L222-E356 HydrophobicContact CB-CB 4.42Å; L222-E356 HydrophobicContact CB-CG 4.48Å; L222-E356 HydrophobicContact CD2-CB 3.81Å; L222-E356 HydrophobicContact CD2-CG 4.01Å; L222-E359 HydrophobicContact CD2-CB 4.27Å; L222-E359 HydrophobicContact CD2-CG 4.18Å; L222-L360 HydrophobicContact CD1-CB 4.37Å; L222-L360 HydrophobicContact CD1-CD1 4.09Å; L222-L360 HydrophobicContact CD1-CD2 4.42Å
223P94.8Very high92.7Very high68 Ų6862.2 Ų62.244%0.44234%0.344SS..Hα-helixtrans-62.8-37.6-171.624.8-35.2000113.9F227 E356P223-F227 WeakPolarHBondContact O-CB 3.43Å; P223-F227 PolarHBondContact O-N 3.31Å; P223-E356 WeakPolarHBondContact CD-OE1 3.22Å; P223-E356 WeakPolarHBondContact CG-OE1 3.32Å
224M95.7Very high92.7Very high2 Ų260.4 Ų60.41%0.0134%0.338CS..Hα-helixtrans-72.8-44.7179.9-176.957.96600111.4L222 F227 C228 W239 I343 S349 Q352 F353 E356L222-M224 PolarHBondContact O-N 3.44Å; M224-F227 PolarHBondContact O-N 3.33Å; M224-C228 WeakPolarHBondContact O-CB 3.33Å; M224-C228 PolarHBondContact O-N 2.97Å; M224-W239 HydrophobicContact CE-CD2 4.11Å; M224-W239 VanDerWaalsContact CE-CE2 3.41Å; M224-W239 HydrophobicContact CE-CH2 4.13Å; M224-W239 HydrophobicContact CE-CZ2 3.42Å; M224-W239 VanDerWaalsContact CE-CZ2 3.42Å; M224-I343 HydrophobicContact SD-CD1 4.5Å; M224-S349 VanDerWaalsContact CE-CB 3.5Å; M224-Q352 HydrophobicContact CB-CB 4.45Å; M224-Q352 HydrophobicContact CB-CG 3.86Å; M224-Q352 HydrophobicContact CG-CG 4.46Å; M224-F353 HydrophobicContact CG-CB 3.82Å; M224-F353 HydrophobicContact CG-CD2 4.23Å; M224-E356 WeakPolarHBondContact CA-OE2 3.42Å; M224-E356 WeakPolarHBondContact CB-OE1 3.39Å; M224-E356 WeakPolarHBondContact CB-OE2 3.33Å; M224-E356 PolarHBondContact N-OE1 3.47Å; M224-E356 VanDerWaalsContact N-OE1 3.13Å; M224-E356 PolarHBondContact N-OE2 2.81Å
225L95.9Very high92.9Very high0 Ų057.5 Ų57.50%032%0.32CS..Hα-helixtrans-63.4-43.6176.9-174.861.7000110.9L200 I204 L222 F227 C228 Q229 F353 E356 L357 L360L200-L225 HydrophobicContact CD1-CD1 3.88Å; I204-L225 HydrophobicContact CD1-CD2 4.29Å; I204-L225 HydrophobicContact CD1-CG 4.02Å; I204-L225 HydrophobicContact CG1-CD2 4.14Å; I204-L225 HydrophobicContact CG1-CG 4.42Å; L222-L225 HydrophobicContact CB-CB 4.12Å; L222-L225 HydrophobicContact CB-CD2 4.44Å; L222-L225 HydrophobicContact CD1-CD2 4.09Å; L222-L225 PolarHBondContact O-N 2.92Å; L225-F227 VanDerWaalsContact C-N 3.33Å; L225-F227 PolarHBondContact O-N 2.91Å; L225-C228 PolarHBondContact O-N 3.17Å; L225-Q229 VanDerWaalsContact O-CB 3.24Å; L225-Q229 WeakPolarHBondContact O-CB 3.43Å; L225-Q229 PolarHBondContact O-N 3.27Å; L225-F353 HydrophobicContact CD1-CD2 4Å; L225-F353 HydrophobicContact CD1-CE2 3.32Å; L225-F353 HydrophobicContact CD1-CZ 3.7Å; L225-E356 HydrophobicContact CB-CB 4.17Å; L225-E356 WeakPolarHBondContact CB-OE2 3.34Å; L225-E356 PolarHBondContact N-OE2 3.25Å; L225-L357 HydrophobicContact CD1-CD2 3.72Å; L225-L357 HydrophobicContact CD1-CG 4.08Å; L225-L357 HydrophobicContact CD2-CD2 4.1Å; L225-L360 HydrophobicContact CD2-CD2 3.8Å
226T96.2Very high92.9Very high31 Ų3154.1 Ų54.119%0.1930%0.295CS..Hα-helixtrans-64-38.2176-59.60000111.7L222 K230L222-T226 WeakPolarHBondContact O-CB 3.4Å; L222-T226 PolarHBondContact O-N 2.9Å; L222-T226 PolarHBondContact O-OG1 3.03Å; T226-K230 WeakPolarHBondContact O-CG 3.29Å; T226-K230 PolarHBondContact O-N 3.48Å
227F95.4Very high92.9Very high51 Ų5148.6 Ų48.622%0.22426%0.264CS..Hα-helixtrans-66.5-49.4175.5179.4-92.6000111.4P223 M224 L225 Q229 K230 S231 V234 W239 I343P223-F227 WeakPolarHBondContact O-CB 3.43Å; P223-F227 PolarHBondContact O-N 3.31Å; M224-F227 PolarHBondContact O-N 3.33Å; L225-F227 VanDerWaalsContact C-N 3.33Å; L225-F227 PolarHBondContact O-N 2.91Å; F227-Q229 VanDerWaalsContact C-N 3.3Å; F227-Q229 PolarHBondContact O-N 3.34Å; F227-K230 PolarHBondContact O-N 2.96Å; F227-K230 VanDerWaalsContact O-N 3.14Å; F227-S231 WeakPolarHBondContact O-CB 3.4Å; F227-S231 PolarHBondContact O-N 2.86Å; F227-V234 HydrophobicContact CE1-CG2 3.48Å; F227-V234 VanDerWaalsContact CE1-CG2 3.48Å; F227-V234 HydrophobicContact CZ-CG2 3.84Å; F227-W239 AromaticContact CD1-CD1 3.52Å; F227-W239 HydrophobicContact CD1-CG 4.35Å; F227-W239 HydrophobicContact CE1-CB 3.77Å; F227-W239 AromaticContact CE1-CD1 3.6Å; F227-W239 HydrophobicContact CE1-CG 4.07Å; F227-W239 AromaticContact CG-CD1 3.74Å; F227-W239 HydrophobicContact CZ-CB 3.92Å; F227-W239 AromaticContact CZ-CD1 3.91Å; F227-W239 HydrophobicContact CZ-CG 4.35Å; F227-I343 HydrophobicContact CD1-CD1 4.2Å; F227-I343 HydrophobicContact CE1-CD1 4.38Å
228C95.2Very high93Very high0 Ų044.7 Ų44.70%025%0.251CS..Hα-helixtrans-61.9-36.6177.9-172.30000112M224 L225 K230 G232 I343 F353M224-C228 WeakPolarHBondContact O-CB 3.33Å; M224-C228 PolarHBondContact O-N 2.97Å; L225-C228 PolarHBondContact O-N 3.17Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.25Å; C228-G232 WeakPolarHBondContact O-CA 3.34Å; C228-G232 PolarHBondContact O-N 3.25Å; C228-I343 HydrophobicContact CB-CD1 3.88Å; C228-F353 HydrophobicContact CB-CD2 3.98Å; C228-F353 HydrophobicContact CB-CE2 3.55Å; C228-F353 VanDerWaalsContact SG-CE2 3.58Å
229Q95.6Very high93.3Very high24 Ų2443.1 Ų43.111%0.11223%0.228CC..Hα-helixtrans-58.4-36.9174.5-178.6-84.6-38.700112.5A197 E201 I204 L225 F227A197-Q229 WeakPolarHBondContact O-CG 3.45Å; E201-Q229 PolarHBondContact OE2-NE2 2.72Å; I204-Q229 HydrophobicContact CD1-CB 4.06Å; I204-Q229 HydrophobicContact CD1-CG 4.06Å; L225-Q229 VanDerWaalsContact O-CB 3.24Å; L225-Q229 WeakPolarHBondContact O-CB 3.43Å; L225-Q229 PolarHBondContact O-N 3.27Å; F227-Q229 VanDerWaalsContact C-N 3.3Å; F227-Q229 PolarHBondContact O-N 3.34Å
230K94.1Very high93.3Very high156 Ų15644.2 Ų44.268%0.67823%0.227SC*.Hα-helixtrans-89.4-40.8-177.8-65.8178.5-176.2172.30113.4T226 F227 C228T226-K230 WeakPolarHBondContact O-CG 3.29Å; T226-K230 PolarHBondContact O-N 3.48Å; F227-K230 PolarHBondContact O-N 2.96Å; F227-K230 VanDerWaalsContact O-N 3.14Å; C228-K230 VanDerWaalsContact C-N 3.27Å; C228-K230 PolarHBondContact O-N 3.25Å
231S92.6Very high93.3Very high55 Ų5541.3 Ų41.339%0.38521%0.207SC..Hα-helixtrans-104.3-16.6-169.5-55.80000113F227 V234F227-S231 WeakPolarHBondContact O-CB 3.4Å; F227-S231 PolarHBondContact O-N 2.86Å; S231-V234 VanDerWaalsContact O-CG1 3.24Å; S231-V234 WeakPolarHBondContact O-CG1 3.28Å
232G93.7Very high92.9Very high16 Ų1643.3 Ų43.317%0.16523%0.232CC..  trans74.6-165.4-172.300000113.2C228 V234 I343C228-G232 WeakPolarHBondContact O-CA 3.34Å; C228-G232 PolarHBondContact O-N 3.25Å; G232-V234 VanDerWaalsContact C-N 3.28Å; G232-V234 PolarHBondContact O-N 3.5Å; G232-I343 WeakPolarHBondContact O-CD1 3.35Å
233N94.1Very high92.5Very high25 Ų2549.2 Ų49.213%0.13426%0.257CS..SBendtrans-79.370.2179-171.234.4000112.1S342 I343 L344N233-S342 WeakPolarHBondContact ND2-CB 3.46Å; N233-S342 PolarHBondContact ND2-OG 3.13Å; N233-S342 VanDerWaalsContact OD1-CB 3.24Å; N233-S342 WeakPolarHBondContact OD1-CB 3.1Å; N233-S342 PolarHBondContact OD1-OG 3.43Å; N233-I343 WeakPolarHBondContact OD1-CG1 3.38Å; N233-L344 HydrophobicContact CB-CD1 4.18Å; N233-L344 WeakPolarHBondContact OD1-CB 3.32Å; N233-L344 VanDerWaalsContact OD1-CG 3.31Å; N233-L344 WeakPolarHBondContact OD1-CG 3.49Å; N233-L344 PolarHBondContact OD1-N 3.45Å
234V93.3Very high92.1Very high22 Ų2251 Ų5113%0.13327%0.267CS..  trans-80.1172.2178.9-61.50000112.6F227 S231 G232 E238 S342 I343F227-V234 HydrophobicContact CE1-CG2 3.48Å; F227-V234 VanDerWaalsContact CE1-CG2 3.48Å; F227-V234 HydrophobicContact CZ-CG2 3.84Å; S231-V234 VanDerWaalsContact O-CG1 3.24Å; S231-V234 WeakPolarHBondContact O-CG1 3.28Å; G232-V234 VanDerWaalsContact C-N 3.28Å; G232-V234 PolarHBondContact O-N 3.5Å; V234-E238 HydrophobicContact CB-CB 4.37Å; V234-E238 HydrophobicContact CB-CG 4.41Å; V234-E238 WeakPolarHBondContact CB-OE2 3.45Å; V234-E238 HydrophobicContact CG2-CB 4.29Å; V234-E238 HydrophobicContact CG2-CG 4.32Å; V234-S342 CarbonylContact O-C 3.49Å; V234-S342 WeakPolarHBondContact O-CA 3.44Å; V234-S342 WeakPolarHBondContact O-CB 3.44Å; V234-I343 HydrophobicContact CG2-CG2 4.42Å; V234-I343 PolarHBondContact O-N 2.93Å
235T92.9Very high91.7Very high21 Ų2151.8 Ų51.813%0.12927%0.272CS..BIsolated β-bridgetrans-61.5147.2172.760.30000112.3Y237 E238 W239 P245 V248T235-Y237 PolarHBondContact O-N 2.7Å; T235-E238 WeakPolarHBondContact O-CB 3.31Å; T235-E238 PolarHBondContact O-N 3.02Å; T235-E238 WeakPolarHBondContact OG1-CB 3.49Å; T235-E238 PolarHBondContact OG1-N 3.36Å; T235-W239 PolarHBondContact O-N 2.63Å; T235-P245 HydrophobicContact CG2-CG 4.24Å; T235-V248 HydrophobicContact CG2-CG2 4.13Å
236F90.9Very high91.2Very high17 Ų1756.6 Ų56.68%0.07531%0.305CS..Hα-helixtrans-61.2-33.6174.5-168-93.9000111.5E238 W239 R240 L341 N346 S349F236-E238 PolarHBondContact O-N 3.03Å; F236-W239 HydrophobicContact CD1-CE3 4.49Å; F236-W239 AromaticContact CD2-CE3 3.91Å; F236-W239 HydrophobicContact CD2-CE3 3.91Å; F236-W239 HydrophobicContact CD2-CZ3 4.24Å; F236-W239 HydrophobicContact CE1-CE3 4.23Å; F236-W239 HydrophobicContact CE1-CZ3 4.04Å; F236-W239 AromaticContact CE2-CE3 3.62Å; F236-W239 HydrophobicContact CE2-CE3 3.62Å; F236-W239 HydrophobicContact CE2-CH2 4.44Å; F236-W239 AromaticContact CE2-CZ3 3.47Å; F236-W239 HydrophobicContact CE2-CZ3 3.47Å; F236-W239 VanDerWaalsContact CE2-CZ3 3.47Å; F236-W239 HydrophobicContact CG-CE3 4.35Å; F236-W239 AromaticContact CZ-CE3 3.81Å; F236-W239 HydrophobicContact CZ-CE3 3.81Å; F236-W239 HydrophobicContact CZ-CH2 4.43Å; F236-W239 AromaticContact CZ-CZ3 3.37Å; F236-W239 HydrophobicContact CZ-CZ3 3.37Å; F236-W239 PolarHBondContact O-N 3.26Å; F236-R240 WeakPolarHBondContact O-CB 3.28Å; F236-R240 PolarHBondContact O-N 3.14Å; F236-L341 WeakPolarHBondContact CB-O 3.47Å; F236-L341 PolarHBondContact N-O 3.35Å; F236-N346 HydrophobicContact CD2-CB 3.77Å; F236-N346 HydrophobicContact CE2-CB 4.27Å; F236-N346 HydrophobicContact CG-CB 4.32Å; F236-S349 WeakPolarHBondContact CD2-OG 3.33Å
237Y89.3Confident90.7Very high22 Ų2259.3 Ų59.39%0.08632%0.319CS..Hα-helixtrans-54.3-48169.8-177.8-89.8000112.8T235 R240 T241 K243 P245 G333 A335 D339T235-Y237 PolarHBondContact O-N 2.7Å; Y237-R240 PolarHBondContact O-N 2.95Å; Y237-T241 HydrophobicContact CD1-CG2 4.5Å; Y237-T241 HydrophobicContact CD2-CG2 4.21Å; Y237-T241 HydrophobicContact CE1-CG2 4.23Å; Y237-T241 WeakPolarHBondContact CE1-OG1 3.32Å; Y237-T241 HydrophobicContact CE2-CG2 3.9Å; Y237-T241 HydrophobicContact CG-CG2 4.5Å; Y237-T241 WeakPolarHBondContact O-CB 3.43Å; Y237-T241 WeakPolarHBondContact O-CG2 3.41Å; Y237-T241 PolarHBondContact O-N 3.07Å; Y237-T241 PolarHBondContact O-OG1 3.42Å; Y237-K243 WeakPolarHBondContact CD1-O 3.44Å; Y237-K243 WeakPolarHBondContact CE1-O 3.43Å; Y237-P245 HydrophobicContact CD1-CB 3.68Å; Y237-P245 HydrophobicContact CD1-CG 4.07Å; Y237-P245 HydrophobicContact CE1-CB 4.06Å; Y237-P245 HydrophobicContact CG-CB 4.28Å; Y237-G333 WeakPolarHBondContact OH-CA 3.39Å; Y237-G333 PolarHBondContact OH-N 3.09Å; Y237-G333 VanDerWaalsContact OH-N 3.16Å; Y237-A335 HydrophobicContact CD2-CB 4.42Å; Y237-A335 HydrophobicContact CG-CB 4.11Å; Y237-D339 HydrophobicContact CD2-CB 4.39Å; Y237-D339 PolarHBondContact N-O 2.88Å
238E91.3Very high90.2Very high43 Ų4359.7 Ų59.720%0.20133%0.325CS..Hα-helixtrans-66.6-40-178.2-178.4175.4169.900111.7V234 T235 F236 G242 K243V234-E238 HydrophobicContact CB-CB 4.37Å; V234-E238 HydrophobicContact CB-CG 4.41Å; V234-E238 WeakPolarHBondContact CB-OE2 3.45Å; V234-E238 HydrophobicContact CG2-CB 4.29Å; V234-E238 HydrophobicContact CG2-CG 4.32Å; T235-E238 WeakPolarHBondContact O-CB 3.31Å; T235-E238 PolarHBondContact O-N 3.02Å; T235-E238 WeakPolarHBondContact OG1-CB 3.49Å; T235-E238 PolarHBondContact OG1-N 3.36Å; F236-E238 PolarHBondContact O-N 3.03Å; E238-G242 WeakPolarHBondContact O-CA 3.48Å; E238-G242 PolarHBondContact O-N 3.12Å; E238-K243 WeakPolarHBondContact CA-O 3.36Å
239W91.4Very high89.7Confident82 Ų8263.3 Ų63.331%0.31134%0.342SS..Hα-helixtrans-61.4-45.8173.2171.172.8000112.2M224 F227 T235 F236 I343M224-W239 HydrophobicContact CE-CD2 4.11Å; M224-W239 VanDerWaalsContact CE-CE2 3.41Å; M224-W239 HydrophobicContact CE-CH2 4.13Å; M224-W239 HydrophobicContact CE-CZ2 3.42Å; M224-W239 VanDerWaalsContact CE-CZ2 3.42Å; F227-W239 AromaticContact CD1-CD1 3.52Å; F227-W239 HydrophobicContact CD1-CG 4.35Å; F227-W239 HydrophobicContact CE1-CB 3.77Å; F227-W239 AromaticContact CE1-CD1 3.6Å; F227-W239 HydrophobicContact CE1-CG 4.07Å; F227-W239 AromaticContact CG-CD1 3.74Å; F227-W239 HydrophobicContact CZ-CB 3.92Å; F227-W239 AromaticContact CZ-CD1 3.91Å; F227-W239 HydrophobicContact CZ-CG 4.35Å; T235-W239 PolarHBondContact O-N 2.63Å; F236-W239 HydrophobicContact CD1-CE3 4.49Å; F236-W239 AromaticContact CD2-CE3 3.91Å; F236-W239 HydrophobicContact CD2-CE3 3.91Å; F236-W239 HydrophobicContact CD2-CZ3 4.24Å; F236-W239 HydrophobicContact CE1-CE3 4.23Å; F236-W239 HydrophobicContact CE1-CZ3 4.04Å; F236-W239 AromaticContact CE2-CE3 3.62Å; F236-W239 HydrophobicContact CE2-CE3 3.62Å; F236-W239 HydrophobicContact CE2-CH2 4.44Å; F236-W239 AromaticContact CE2-CZ3 3.47Å; F236-W239 HydrophobicContact CE2-CZ3 3.47Å; F236-W239 VanDerWaalsContact CE2-CZ3 3.47Å; F236-W239 HydrophobicContact CG-CE3 4.35Å; F236-W239 AromaticContact CZ-CE3 3.81Å; F236-W239 HydrophobicContact CZ-CE3 3.81Å; F236-W239 HydrophobicContact CZ-CH2 4.43Å; F236-W239 AromaticContact CZ-CZ3 3.37Å; F236-W239 HydrophobicContact CZ-CZ3 3.37Å; F236-W239 PolarHBondContact O-N 3.26Å; W239-I343 HydrophobicContact CB-CG2 3.74Å; W239-I343 HydrophobicContact CG-CG2 4.2Å
240R89.8Confident88.8Confident150 Ų15067.9 Ų67.957%0.56636%0.358SS*.Hα-helixtrans-70.7-37.8-177.2-174.6172.370.8112.61.3113.4F236 Y237 D339F236-R240 WeakPolarHBondContact O-CB 3.28Å; F236-R240 PolarHBondContact O-N 3.14Å; Y237-R240 PolarHBondContact O-N 2.95Å; R240-D339 IonicContact CZ-OD1 3.09Å; R240-D339 IonicContact CZ-OD2 2.75Å; R240-D339 IonicContact NE-OD1 3.35Å; R240-D339 PolarHBondContact NE-OD1 2.9Å; R240-D339 IonicContact NE-OD2 3.54Å; R240-D339 IonicContact NH2-OD1 3.89Å; R240-D339 IonicContact NH2-OD2 2.75Å; R240-D339 PolarHBondContact NH2-OD2 2.87Å
241T87.4Confident87.6Confident56 Ų5664.3 Ų64.334%0.34435%0.351SS..Hα-helixtrans-105.1-15.1-171.566.10000114.1Y237 K243Y237-T241 HydrophobicContact CD1-CG2 4.5Å; Y237-T241 HydrophobicContact CD2-CG2 4.21Å; Y237-T241 HydrophobicContact CE1-CG2 4.23Å; Y237-T241 WeakPolarHBondContact CE1-OG1 3.32Å; Y237-T241 HydrophobicContact CE2-CG2 3.9Å; Y237-T241 HydrophobicContact CG-CG2 4.5Å; Y237-T241 WeakPolarHBondContact O-CB 3.43Å; Y237-T241 WeakPolarHBondContact O-CG2 3.41Å; Y237-T241 PolarHBondContact O-N 3.07Å; Y237-T241 PolarHBondContact O-OG1 3.42Å; T241-K243 PolarHBondContact O-N 3.03Å; T241-K243 PolarHBondContact OG1-N 3.39Å; T241-K243 PolarHBondContact OG1-O 3.17Å
242G85.6Confident85.9Confident64 Ų6466.3 Ų66.366%0.6637%0.37SS*.SBendtrans69.19.9-17300000114.4E238E238-G242 WeakPolarHBondContact O-CA 3.48Å; E238-G242 PolarHBondContact O-N 3.12Å
243K87.1Confident84.3Confident128 Ų12869.8 Ų69.856%0.55739%0.388SS*.SBendtrans-123.9137.2179.9-65.1-179.3-174.8172.40110.8Y237 E238 T241 E332Y237-K243 WeakPolarHBondContact CD1-O 3.44Å; Y237-K243 WeakPolarHBondContact CE1-O 3.43Å; E238-K243 WeakPolarHBondContact CA-O 3.36Å; T241-K243 PolarHBondContact O-N 3.03Å; T241-K243 PolarHBondContact OG1-N 3.39Å; T241-K243 PolarHBondContact OG1-O 3.17Å; K243-E332 IonicContact NZ-OE1 3.81Å
244V86.4Confident82.3Confident107 Ų10777 Ų7765%0.64842%0.421SS*.  trans-65.4128.9173.6-175.20000109.3
245P88.1Confident80.2Confident17 Ų1782.7 Ų82.711%0.1145%0.447CS..  trans-66.5142.4177.425.7-31.2000111.3T235 Y237 V248 A335T235-P245 HydrophobicContact CG2-CG 4.24Å; Y237-P245 HydrophobicContact CD1-CB 3.68Å; Y237-P245 HydrophobicContact CD1-CG 4.07Å; Y237-P245 HydrophobicContact CE1-CB 4.06Å; Y237-P245 HydrophobicContact CG-CB 4.28Å; P245-V248 HydrophobicContact CB-CG2 4.31Å; P245-V248 HydrophobicContact CG-CG2 3.78Å; P245-A335 HydrophobicContact CB-CB 3.92Å; P245-A335 HydrophobicContact CG-CB 4.2Å
246S84.6Confident78.1Confident101 Ų10183 Ų8371%0.70645%0.451SS*.SBendtrans-76.6-26.9176.267.10000113.1G333S246-G333 PolarHBondContact N-O 3.49Å; S246-G333 PolarHBondContact OG-O 3.11Å
247L85.8Confident75.8Confident89 Ų8987.3 Ų87.347%0.46648%0.481SS..EExtended strand (participates in β ladder)trans-145.2134.9176.3-179.466.9000109.6E249 G333 V334 A335L247-E249 HydrophobicContact CD2-CG 4.11Å; L247-E249 HydrophobicContact CG-CG 4.23Å; L247-G333 PolarHBondContact N-O 3.43Å; L247-V334 HydrophobicContact CB-CG1 4.25Å; L247-V334 HydrophobicContact CB-CG2 4.42Å; L247-V334 HydrophobicContact CD2-CG1 4.23Å; L247-V334 HydrophobicContact CG-CG1 4.38Å; L247-V334 WeakPolarHBondContact O-CA 3.29Å; L247-A335 PolarHBondContact O-N 2.9Å
248V85.7Confident73.5Confident59 Ų5991.9 Ų91.936%0.35851%0.513SS..EExtended strand (participates in β ladder)trans-113.5114.1175.4-177.20000108.7T235 P245 R250 A335 A340T235-V248 HydrophobicContact CG2-CG2 4.13Å; P245-V248 HydrophobicContact CB-CG2 4.31Å; P245-V248 HydrophobicContact CG-CG2 3.78Å; V248-R250 HydrophobicContact CG1-CG 4.19Å; V248-A335 HydrophobicContact CG2-CB 4.38Å; V248-A340 HydrophobicContact CG1-CB 3.98Å
249E83.8Confident71.1Confident75 Ų7594.9 Ų94.935%0.3553%0.531SS..EExtended strand (participates in β ladder)trans-10292.6176.5-67.9179.5-168.300109.4L247 V334 A335 R336 A340L247-E249 HydrophobicContact CD2-CG 4.11Å; L247-E249 HydrophobicContact CG-CG 4.23Å; E249-V334 HydrophobicContact CG-CG1 4.35Å; E249-A335 PolarHBondContact N-O 3.1Å; E249-R336 HydrophobicContact CB-CG 4.25Å; E249-R336 VanDerWaalsContact CD-NE 3.29Å; E249-R336 IonicContact OE1-CZ 3.3Å; E249-R336 IonicContact OE1-NE 3.73Å; E249-R336 PolarHBondContact OE1-NE 2.7Å; E249-R336 IonicContact OE1-NH2 2.63Å; E249-R336 PolarHBondContact OE1-NH2 3.21Å; E249-R336 IonicContact OE2-CZ 3.43Å; E249-R336 IonicContact OE2-NE 2.97Å; E249-R336 PolarHBondContact OE2-NE 3.45Å; E249-R336 IonicContact OE2-NH2 3.64Å; E249-R336 PolarHBondContact OE2-NH2 3.04Å; E249-R336 VanDerWaalsContact OE2-NH2 3.15Å; E249-A340 VanDerWaalsContact O-CB 3.3Å; E249-A340 WeakPolarHBondContact O-CB 3.34Å
250R77.5Confident68.4Low120 Ų12095.1 Ų95.145%0.45355%0.55SS..PPolyproline II helixtrans-70.6140.7176.3-72.1-169.9170.8-127.3-9.1110.6V248 A252 E345V248-R250 HydrophobicContact CG1-CG 4.19Å; R250-A252 PolarHBondContact O-N 3.01Å; R250-E345 IonicContact CZ-OE1 2.94Å; R250-E345 IonicContact CZ-OE2 3.95Å; R250-E345 IonicContact NH1-OE1 3.36Å; R250-E345 PolarHBondContact NH1-OE1 3.13Å; R250-E345 IonicContact NH1-OE2 2.75Å; R250-E345 IonicContact NH2-OE1 2.71Å; R250-E345 IonicContact NH2-OE2 2.78Å; R250-E345 PolarHBondContact NH2-OE2 3.44Å
251P67.4Low66Low81 Ų8192 Ų9253%0.52656%0.557SS.*PPolyproline II helixtrans-54.2130170-2231.7000110.3V253P251-V253 PolarHBondContact O-N 3.43Å
252A58.8Low63.7Low97 Ų9794.5 Ų94.580%0.80257%0.572SS**PPolyproline II helixtrans-65.3120.5176.800000109.3R250 E254R250-A252 PolarHBondContact O-N 3.01Å; A252-E254 PolarHBondContact O-N 2.9Å
253V58.4Low61.3Low89 Ų8999.8 Ų99.854%0.53958%0.579SS.*  trans-71.7108.1167-177.30000106P251 E255P251-V253 PolarHBondContact O-N 3.43Å; V253-E255 PolarHBondContact O-N 2.98Å
254E52.5Low59.2Low177 Ų17799.4 Ų99.483%0.82758%0.583SS**  trans-55.1109.5172.5-92.5-177.5152.900108.7A252 A256A252-E254 PolarHBondContact O-N 2.9Å; E254-A256 PolarHBondContact O-N 3.25Å
255E49.2Very low56.7Low142 Ų142100.6 Ų100.666%0.66459%0.591SS**PPolyproline II helixtrans-68.1122.2171.9-66.3-163.9138.500108K184 V253K184-E255 IonicContact NZ-OE1 2.73Å; K184-E255 PolarHBondContact NZ-OE1 3.48Å; V253-E255 PolarHBondContact O-N 2.98Å
256A49.9Very low54.7Low28 Ų28102.7 Ų102.723%0.23160%0.601CS.*PPolyproline II helixtrans-56.1133.7173.800000109.2E254E254-A256 PolarHBondContact O-N 3.25Å
257P41.9Very low52.8Low107 Ų107104.9 Ų104.970%0.69561%0.605SS**PPolyproline II helixtrans-57.4148.4-179.818.5-28.7000111.8R177R177-P257 PolarHBondContact NH2-O 2.72Å
258P40.4Very low51.2Low118 Ų118105.4 Ų105.477%0.76660%0.6SS**SBendtrans-63.3149.9173.226.8-31.8000110.3A260P258-A260 PolarHBondContact O-N 2.97Å; P258-A260 VanDerWaalsContact O-N 3.12Å
259D41.9Very low49.1Very low106 Ų106104.7 Ų104.757%0.56761%0.605SS**  trans-46.9110.8-159.8-62.8-53.2000114R177 A261R177-D259 IonicContact CZ-OD1 2.81Å; R177-D259 IonicContact CZ-OD2 3.17Å; R177-D259 VanDerWaalsContact NH1-CG 3.32Å; R177-D259 IonicContact NH1-OD1 3.84Å; R177-D259 PolarHBondContact NH1-OD1 2.92Å; R177-D259 VanDerWaalsContact NH1-OD1 3.15Å; R177-D259 IonicContact NH1-OD2 3.47Å; R177-D259 PolarHBondContact NH1-OD2 2.83Å; R177-D259 IonicContact NH2-OD1 2.69Å; R177-D259 PolarHBondContact NH2-OD1 3.42Å; R177-D259 IonicContact NH2-OD2 3.78Å; R177-D259 PolarHBondContact NH2-OD2 3.3Å; R177-D259 VanDerWaalsContact NH2-OD2 3.16Å; D259-A261 PolarHBondContact O-N 3.45Å
260A34Very low46.8Very low86 Ų86108.5 Ų108.571%0.71163%0.628SS**  trans-76.5107134.400000104.4P258 T262P258-A260 PolarHBondContact O-N 2.97Å; P258-A260 VanDerWaalsContact O-N 3.12Å; A260-T262 PolarHBondContact O-N 3.43Å
261A38.7Very low45.1Very low86 Ų86109.5 Ų109.571%0.71164%0.636SS**  trans-52.1101.1160.900000106D259 E263D259-A261 PolarHBondContact O-N 3.45Å; A261-E263 PolarHBondContact O-N 3.03Å
262T39.3Very low43.6Very low108 Ų108107.6 Ų107.666%0.66363%0.631SS**  trans-6879.5159.852.20000104.6A260 D264A260-T262 PolarHBondContact O-N 3.43Å; T262-D264 PolarHBondContact O-N 3.3Å
263E36.6Very low42.7Very low175 Ų175108.8 Ų108.882%0.81863%0.633SS**  trans-58.465.5133.4-79.9-173.7156.300106.3A261 T265A261-E263 PolarHBondContact O-N 3.03Å; E263-T265 PolarHBondContact O-N 3.01Å
264D41.8Very low41.3Very low119 Ų119113.5 Ų113.564%0.63665%0.646SS**  trans-6198.9152.1-80-18.9000101.8T262 I266T262-D264 PolarHBondContact O-N 3.3Å; D264-I266 WeakPolarHBondContact O-CG1 3.26Å; D264-I266 PolarHBondContact O-N 3.45Å
265T35.3Very low40.6Very low133 Ų133111.4 Ų111.482%0.81665%0.648SS**  trans-56.495.4165.4-62.30000103.7E263 D267E263-T265 PolarHBondContact O-N 3.01Å; T265-D267 PolarHBondContact O-N 3.16Å
266I45.2Very low39.8Very low61 Ų61109.7 Ų109.731%0.31365%0.652SS.*  trans-60.9110.1-174.4-63.3170.9000104.7D264 W268D264-I266 WeakPolarHBondContact O-CG1 3.26Å; D264-I266 PolarHBondContact O-N 3.45Å; I266-W268 HydrophobicContact CB-CD2 3.95Å; I266-W268 VanDerWaalsContact CB-CE2 3.46Å; I266-W268 HydrophobicContact CB-CG 4.38Å; I266-W268 HydrophobicContact CB-CH2 4.28Å; I266-W268 HydrophobicContact CB-CZ2 3.68Å; I266-W268 HydrophobicContact CD1-CH2 3.54Å; I266-W268 HydrophobicContact CD1-CZ2 3.34Å; I266-W268 HydrophobicContact CD1-CZ3 4.44Å; I266-W268 HydrophobicContact CG1-CH2 4.47Å; I266-W268 HydrophobicContact CG1-CZ2 4.05Å; I266-W268 HydrophobicContact CG2-CD2 3.35Å; I266-W268 HydrophobicContact CG2-CE3 3.53Å; I266-W268 HydrophobicContact CG2-CG 3.93Å; I266-W268 HydrophobicContact CG2-CH2 3.83Å; I266-W268 HydrophobicContact CG2-CZ2 3.66Å; I266-W268 HydrophobicContact CG2-CZ3 3.74Å; I266-W268 PolarHBondContact O-N 2.86Å; I266-W268 PolarHBondContact O-NE1 3.29Å
267D44.2Very low38.8Very low147 Ų147115.9 Ų115.979%0.78668%0.681SS**  trans-66.396165.4-178.62.7000106T265 G269T265-D267 PolarHBondContact O-N 3.16Å; D267-G269 PolarHBondContact O-N 2.81Å; D267-G269 VanDerWaalsContact O-N 3.17Å; D267-G269 PolarHBondContact OD1-N 3.18Å
268W52.3Low38.5Very low99 Ų99118.1 Ų118.138%0.37569%0.688SS.*  trans-74.75.7-174.8-68.5106.3000112.8I266 F271 I446 L449I266-W268 HydrophobicContact CB-CD2 3.95Å; I266-W268 VanDerWaalsContact CB-CE2 3.46Å; I266-W268 HydrophobicContact CB-CG 4.38Å; I266-W268 HydrophobicContact CB-CH2 4.28Å; I266-W268 HydrophobicContact CB-CZ2 3.68Å; I266-W268 HydrophobicContact CD1-CH2 3.54Å; I266-W268 HydrophobicContact CD1-CZ2 3.34Å; I266-W268 HydrophobicContact CD1-CZ3 4.44Å; I266-W268 HydrophobicContact CG1-CH2 4.47Å; I266-W268 HydrophobicContact CG1-CZ2 4.05Å; I266-W268 HydrophobicContact CG2-CD2 3.35Å; I266-W268 HydrophobicContact CG2-CE3 3.53Å; I266-W268 HydrophobicContact CG2-CG 3.93Å; I266-W268 HydrophobicContact CG2-CH2 3.83Å; I266-W268 HydrophobicContact CG2-CZ2 3.66Å; I266-W268 HydrophobicContact CG2-CZ3 3.74Å; I266-W268 PolarHBondContact O-N 2.86Å; I266-W268 PolarHBondContact O-NE1 3.29Å; W268-F271 HydrophobicContact CB-CE2 4.26Å; W268-F271 WeakPolarHBondContact O-CE2 3.43Å; W268-I446 HydrophobicContact CE3-CG1 4.05Å; W268-I446 HydrophobicContact CZ3-CD1 4.27Å; W268-I446 HydrophobicContact CZ3-CG1 3.55Å; W268-L449 HydrophobicContact CD2-CD1 4.33Å; W268-L449 HydrophobicContact CE3-CD1 4.27Å; W268-L449 HydrophobicContact CH2-CD1 4.17Å; W268-L449 HydrophobicContact CZ2-CD1 4.21Å; W268-L449 HydrophobicContact CZ3-CD1 4.22Å
269G42Very low37.9Very low44 Ų44120.3 Ų120.345%0.45469%0.692SS.*  trans65.5146.6-172.700000111.6D267 F271D267-G269 PolarHBondContact O-N 2.81Å; D267-G269 VanDerWaalsContact O-N 3.17Å; D267-G269 PolarHBondContact OD1-N 3.18Å; G269-F271 WeakPolarHBondContact O-CD2 3.49Å; G269-F271 PolarHBondContact O-N 3.44Å
270D35.6Very low37.5Very low156 Ų156118.9 Ų118.983%0.83470%0.702SS**  trans-65103176.4-177.321.2000109.9G272D270-G272 PolarHBondContact O-N 3.11Å; D270-G272 WeakPolarHBondContact OD1-CA 3.35Å; D270-G272 PolarHBondContact OD1-N 3.33Å
271F41.1Very low37.1Very low140 Ų140120.8 Ų120.861%0.61470%0.704SS**  trans-75.233.3166.8-71.5-78.2000111.6W268 G269 S273W268-F271 HydrophobicContact CB-CE2 4.26Å; W268-F271 WeakPolarHBondContact O-CE2 3.43Å; G269-F271 WeakPolarHBondContact O-CD2 3.49Å; G269-F271 PolarHBondContact O-N 3.44Å; F271-S273 PolarHBondContact O-N 2.98Å
272G35.8Very low36.6Very low41 Ų41123.5 Ų123.542%0.42371%0.712SS.*  trans-66.9113178.900000112D270 K274D270-G272 PolarHBondContact O-N 3.11Å; D270-G272 WeakPolarHBondContact OD1-CA 3.35Å; D270-G272 PolarHBondContact OD1-N 3.33Å; G272-K274 PolarHBondContact O-N 2.94Å
273S40.2Very low36.1Very low123 Ų123122.1 Ų122.186%0.8671%0.712SS**  trans-42.3102.5170-60.50000113.1F271F271-S273 PolarHBondContact O-N 2.98Å
274K28.5Very low35.6Very low187 Ų187116.6 Ų116.681%0.81370%0.702SS**  trans-97.4123.4155.7-78.3-174.8179.9170.70109G272 S276G272-K274 PolarHBondContact O-N 2.94Å; K274-S276 PolarHBondContact O-N 3.28Å
275P38.6Very low35Very low133 Ų133118.3 Ų118.386%0.86471%0.709SS**  trans-79108.2163.531.7-24.6000106.3
276S31.8Very low34.5Very low106 Ų106117.5 Ų117.574%0.74171%0.705SS**  trans-124.4114.6165.557.10000108.8K274K274-S276 PolarHBondContact O-N 3.28Å
277D29.5Very low33.8Very low159 Ų159119.2 Ų119.285%0.8572%0.717SS**  trans-39.9143162.8-81-42.7000112.5L279D277-L279 PolarHBondContact O-N 2.99Å
278D34.8Very low33Very low154 Ų154120.2 Ų120.282%0.82472%0.718SS**  trans16.4102.4142.8-156.225.9000116.2
279L28Very low32.1Very low164 Ų164124.1 Ų124.186%0.85974%0.74SS**  trans-164.5118140-98.6160.4000107.5D277 V281D277-L279 PolarHBondContact O-N 2.99Å; L279-V281 PolarHBondContact O-N 3.1Å; L279-V281 VanDerWaalsContact O-N 3.14Å
280G33.7Very low31.5Very low75 Ų75125.1 Ų125.177%0.77375%0.75SS**  trans-53.2116.1-176.400000112.8
281V26Very low31.5Very low126 Ų126123.3 Ų123.376%0.76474%0.739SS**  trans-124.189.5152.9-175.10000105.4L279 A283L279-V281 PolarHBondContact O-N 3.1Å; L279-V281 VanDerWaalsContact O-N 3.14Å; V281-A283 HydrophobicContact CG1-CB 4.35Å; V281-A283 PolarHBondContact O-N 3.11Å
282T28.6Very low31.1Very low143 Ų143123.1 Ų123.188%0.87775%0.745SS**  trans-5585146.235.30000106.7G284T282-G284 PolarHBondContact O-N 2.96Å
283A28.6Very low31.6Very low79 Ų79128.3 Ų128.365%0.65375%0.752SS**  trans-67.586.6156.400000104.2V281 I285V281-A283 HydrophobicContact CG1-CB 4.35Å; V281-A283 PolarHBondContact O-N 3.11Å; A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 2.91Å
284G25.1Very low31.1Very low59 Ų59125.8 Ų125.861%0.60875%0.745SS**  trans-51.3107.7165.900000106.1T282 T286T282-G284 PolarHBondContact O-N 2.96Å; G284-T286 PolarHBondContact O-N 3.27Å
285I30.6Very low31.4Very low155 Ų155122.4 Ų122.480%0.79574%0.735SS**  trans-6982.3156.2-59.8171.3000103A283 V287A283-I285 VanDerWaalsContact C-N 3.33Å; A283-I285 PolarHBondContact O-N 2.91Å; I285-V287 HydrophobicContact CG2-CG2 4.19Å; I285-V287 PolarHBondContact O-N 3.04Å
286T23.9Very low30.8Very low117 Ų117121.4 Ų121.472%0.71873%0.731SS**  trans-61.697.9153.239.80000104.2G284 E288G284-T286 PolarHBondContact O-N 3.27Å; T286-E288 PolarHBondContact O-N 3.47Å
287V31.7Very low30.9Very low96 Ų96123.8 Ų123.858%0.58274%0.735SS**  trans-55.898.9151.7-179.20000103.6I285 E289I285-V287 HydrophobicContact CG2-CG2 4.19Å; I285-V287 PolarHBondContact O-N 3.04Å; V287-E289 HydrophobicContact CG1-CG 4.11Å; V287-E289 PolarHBondContact O-N 2.99Å
288E26.7Very low30.8Very low169 Ų169124.3 Ų124.379%0.7973%0.732SS**  trans-63.886.9159.4-76.2-173.8161.700105.4T286 G290T286-E288 PolarHBondContact O-N 3.47Å; E288-G290 PolarHBondContact O-N 2.74Å
289E33.8Very low30.4Very low181 Ų181122.5 Ų122.585%0.84673%0.729SS**  trans-57.8118.7152-76.8-173.8150.900106.5V287V287-E289 HydrophobicContact CG1-CG 4.11Å; V287-E289 PolarHBondContact O-N 2.99Å
290G29.7Very low30.3Very low65 Ų65121.7 Ų121.767%0.6773%0.731SS**  trans11471176.500000112.8E288 D292E288-G290 PolarHBondContact O-N 2.74Å; G290-D292 PolarHBondContact O-N 3.47Å
291I34.9Very low30Very low118 Ų118123.3 Ų123.361%0.60573%0.73SS**  trans-7099.5148.4-63.1174.2000105.1W293I291-W293 VanDerWaalsContact C-N 3.33Å; I291-W293 HydrophobicContact CG2-CD2 4.31Å; I291-W293 HydrophobicContact CG2-CZ2 4.2Å; I291-W293 PolarHBondContact O-N 2.9Å
292D31.7Very low30.2Very low136 Ų136126 Ų12673%0.72774%0.735SS**  trans-6092.3168.7179.917.5000108.9G290 G294G290-D292 PolarHBondContact O-N 3.47Å; D292-G294 VanDerWaalsContact C-N 3.33Å; D292-G294 PolarHBondContact O-N 3.21Å; D292-G294 VanDerWaalsContact O-N 3.16Å
293W46.5Very low30.2Very low149 Ų149129.2 Ų129.256%0.56474%0.736SS**  trans-77.292.1165.3-6698.8000106.3I291 I295I291-W293 VanDerWaalsContact C-N 3.33Å; I291-W293 HydrophobicContact CG2-CD2 4.31Å; I291-W293 HydrophobicContact CG2-CZ2 4.2Å; I291-W293 PolarHBondContact O-N 2.9Å; W293-I295 PolarHBondContact O-N 3.03Å
294G30.6Very low30.1Very low71 Ų71131.3 Ų131.373%0.73275%0.746SS**SBendtrans-44.771.7-172.700000116.7D292D292-G294 VanDerWaalsContact C-N 3.33Å; D292-G294 PolarHBondContact O-N 3.21Å; D292-G294 VanDerWaalsContact O-N 3.16Å
295I35Very low30.1Very low115 Ų115132.1 Ų132.159%0.5975%0.754SS**  trans-126.871.8166-53.6178.2000103.8W293 L297W293-I295 PolarHBondContact O-N 3.03Å; I295-L297 HydrophobicContact CG2-CD1 4.07Å; I295-L297 HydrophobicContact CG2-CG 4.17Å; I295-L297 PolarHBondContact O-N 3.08Å
296S24.9Very low29.9Very low112 Ų112130 Ų13078%0.78376%0.76SS**  trans-81.792.5164.2-153.80000106.7E298S296-E298 PolarHBondContact O-N 3.23Å
297L35.2Very low30.1Very low157 Ų157128 Ų12882%0.82276%0.763SS**  trans-89.283.5162.6-82.6164.1000107.2I295I295-L297 HydrophobicContact CG2-CD1 4.07Å; I295-L297 HydrophobicContact CG2-CG 4.17Å; I295-L297 PolarHBondContact O-N 3.08Å
298E26.2Very low29.9Very low170 Ų170127.3 Ų127.379%0.79478%0.775SS**  trans-130140.4156.9-80-147.2175.200111.1S296S296-E298 PolarHBondContact O-N 3.23Å
299P27.8Very low30.3Very low115 Ų115126.3 Ų126.375%0.74777%0.774SS**  trans-73.9138.5-171.133.6-35.5000109.7S301P299-S301 PolarHBondContact O-N 3.28Å
300T24.5Very low30.1Very low147 Ų147124.8 Ų124.890%0.90277%0.771SS**  trans-62.296.817345.90000110.4
301S29.2Very low30.3Very low110 Ų110133.5 Ų133.577%0.76978%0.784SS**  trans-91.6114.9162.367.10000109.3P299P299-S301 PolarHBondContact O-N 3.28Å
302E30.1Very low30Very low182 Ų182130.7 Ų130.785%0.8578%0.784SS**  trans-54138.5176.4-60.6178.4152.100113.1
303K27.2Very low30Very low210 Ų210132.3 Ų132.391%0.91379%0.793SS**  trans-135123.3144.2-86.9-170180172.40110.5
304S27Very low29.3Very low124 Ų124137 Ų13787%0.86781%0.81SS**  trans-61.5151.3-176.6-370000114.2
305G24.3Very low29.4Very low75 Ų75142.3 Ų142.377%0.77382%0.816SS**  trans176.570.7169.200000117
306A27.2Very low29.3Very low111 Ų111143 Ų14392%0.91783%0.828SS**  trans70.4105.8149.300000120.3
307G27.7Very low29.6Very low75 Ų75141.6 Ų141.677%0.77382%0.823SS**  trans17474.2161.700000110.2
308G28.3Very low29.4Very low82 Ų82140.2 Ų140.285%0.84582%0.824SS**  trans-60.3142.1-169.700000114.4
309I33.8Very low29.6Very low147 Ų147139.8 Ų139.875%0.75483%0.826SS**  trans-130124.6160.9-59.3178.6000107
310D29.7Very low29.6Very low149 Ų149143.4 Ų143.480%0.79783%0.833SS**  trans-72.8122.5-173.4-179.720.3000111.3G312D310-G312 PolarHBondContact O-N 3.48Å
311W35.4Very low30Very low249 Ų249143.4 Ų143.494%0.94383%0.826SS**  trans-99.466.8176.1-70.999.2000110.4
312G27.6Very low29.9Very low58 Ų58146.7 Ų146.760%0.59883%0.829SS**  trans-89.4123.4168.100000111.3D310 R314D310-G312 PolarHBondContact O-N 3.48Å; G312-R314 PolarHBondContact O-N 3.44Å
313D32.6Very low30Very low170 Ų170144.8 Ų144.891%0.90982%0.823SS**  trans-30.1121.8174.7-78.7-42.5000115.6
314R31.9Very low30.1Very low248 Ų248140.4 Ų140.494%0.93681%0.813SS**  trans-153.2129.8152.2-133.6173.8-176.8-167.3-1.2111.5G312G312-R314 PolarHBondContact O-N 3.44Å
315E32.1Very low30.5Very low183 Ų183141.1 Ų141.186%0.85581%0.808SS**  trans-45.8147178.5-64.8178.3151.900113.6A317E315-A317 PolarHBondContact O-N 3.31Å
316P33.1Very low30.9Very low130 Ų130143.4 Ų143.484%0.84481%0.807SS**  trans-72.2116.9-175.529.5-32.6000110.8
317A31.7Very low31.4Very low81 Ų81140.8 Ų140.867%0.66979%0.79SS**  trans-78.3141.7160.100000109.2E315 L319E315-A317 PolarHBondContact O-N 3.31Å; A317-L319 PolarHBondContact O-N 3.09Å; A317-L319 VanDerWaalsContact O-N 3.16Å
318P30.3Very low32Very low129 Ų129142.7 Ų142.784%0.83879%0.787SS**  trans-70.4113.7179.528.3-30.4000109
319L30Very low32.7Very low160 Ų160146.9 Ų146.984%0.83879%0.79SS**  trans-87.2103.3164.9-74.4164.3000107.1A317 I321A317-L319 PolarHBondContact O-N 3.09Å; A317-L319 VanDerWaalsContact O-N 3.16Å; L319-I321 PolarHBondContact O-N 3.33Å; L319-I321 VanDerWaalsContact O-N 3.09Å
320E27.5Very low33.6Very low191 Ų191142.2 Ų142.289%0.89377%0.77SS**  trans-58.2106.9159.2-84.3175.8149.400107.8E322E320-E322 PolarHBondContact O-N 3.38Å
321I33.5Very low35.1Very low147 Ų147138.6 Ų138.675%0.75476%0.755SS**  trans-77.5101.5165.7-62170.9000105.5L319 I323L319-I321 PolarHBondContact O-N 3.33Å; L319-I321 VanDerWaalsContact O-N 3.09Å; I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 HydrophobicContact CG2-CG1 4.48Å; I321-I323 PolarHBondContact O-N 2.96Å
322E26.5Very low36.7Very low179 Ų179134.8 Ų134.884%0.83675%0.747SS**  trans-66.995.3169.5-156.6175.4-156.300107.6E320 V324E320-E322 PolarHBondContact O-N 3.38Å; E322-V324 PolarHBondContact O-N 2.89Å; E322-V324 VanDerWaalsContact O-N 3.08Å
323I33.5Very low39.1Very low142 Ų142132.6 Ų132.673%0.72873%0.725SS**  trans-65.9106.2168.7-60.6162.6000105.3I321 D325I321-I323 VanDerWaalsContact C-N 3.33Å; I321-I323 HydrophobicContact CG2-CG1 4.48Å; I321-I323 PolarHBondContact O-N 2.96Å; I323-D325 PolarHBondContact O-N 3.35Å
324V29.2Very low41.5Very low118 Ų118125.3 Ų125.372%0.71569%0.686SS**  trans-68.388.6167.3179.80000106.7E322 T326E322-V324 PolarHBondContact O-N 2.89Å; E322-V324 VanDerWaalsContact O-N 3.08Å; V324-T326 HydrophobicContact CG1-CG2 4.49Å; V324-T326 PolarHBondContact O-N 2.98Å
325D35.1Very low44.1Very low139 Ų139113.5 Ų113.574%0.74364%0.642SS**  trans-60.7100.3167.1-161.98.4000106.7I323 G327I323-D325 PolarHBondContact O-N 3.35Å; D325-G327 PolarHBondContact O-N 3.26Å
326T33Very low46.6Very low124 Ų124109.8 Ų109.876%0.76162%0.62SS**  trans-7568.2165.538.80000107.2V324 T328V324-T326 HydrophobicContact CG1-CG2 4.49Å; V324-T326 PolarHBondContact O-N 2.98Å; T326-T328 PolarHBondContact O-N 3.44Å
327G36.5Very low49Very low55 Ų55105.4 Ų105.457%0.56760%0.599SS**  trans-57.899.4170.100000108.6D325 D329D325-G327 PolarHBondContact O-N 3.26Å; G327-D329 PolarHBondContact O-N 3.48Å
328T40Very low51.4Low115 Ų115107 Ų10771%0.70660%0.596SS**  trans-72.1117.1153.337.70000105.6T326 C330T326-T328 PolarHBondContact O-N 3.44Å; T328-C330 PolarHBondContact O-N 3.36Å
329D44.3Very low54.1Low171 Ų171101.9 Ų101.991%0.91456%0.561SS**  trans-57.678.3167.9-79.4-42.5000109.3G327G327-D329 PolarHBondContact O-N 3.48Å
330C51.6Low56.8Low49 Ų4994.3 Ų94.333%0.33152%0.522SS..PPolyproline II helixtrans-94.4129.7172.6-76.30000108.2T328 E332T328-C330 PolarHBondContact O-N 3.36Å; C330-E332 PolarHBondContact O-N 3.27Å
331P61.2Low59.8Low73 Ų7386.7 Ų86.747%0.47449%0.487SS..PPolyproline II helixtrans-54.3137.1171.1-7.714.1000109.8G333 V334P331-G333 PolarHBondContact O-N 3.01Å; P331-G333 VanDerWaalsContact O-N 3.13Å; P331-V334 HydrophobicContact CB-CG2 4.18Å; P331-V334 HydrophobicContact CG-CG2 4.21Å; P331-V334 PolarHBondContact O-N 3.46Å; P331-V334 VanDerWaalsContact O-N 3.15Å
332E69.1Low62.6Low168 Ų16879.9 Ų79.979%0.78545%0.452SS*.THydrogen-bonded Turntrans-53.6121.6177.8-155.3-177.8173.500109.3K243 C330K243-E332 IonicContact NZ-OE1 3.81Å; C330-E332 PolarHBondContact O-N 3.27Å
333G77.5Confident65.8Low12 Ų1271.4 Ų71.412%0.12441%0.413CS..THydrogen-bonded Turntrans94.77.5179.800000117Y237 S246 L247 P331Y237-G333 WeakPolarHBondContact OH-CA 3.39Å; Y237-G333 PolarHBondContact OH-N 3.09Å; Y237-G333 VanDerWaalsContact OH-N 3.16Å; S246-G333 PolarHBondContact N-O 3.49Å; S246-G333 PolarHBondContact OG-O 3.11Å; L247-G333 PolarHBondContact N-O 3.43Å; P331-G333 PolarHBondContact O-N 3.01Å; P331-G333 VanDerWaalsContact O-N 3.13Å
334V84.9Confident68.7Low17 Ų1764.7 Ų64.710%0.10338%0.378CS..EExtended strand (participates in β ladder)trans-111.9120.2173.3-171.40000110.9L247 E249 P331 R336L247-V334 HydrophobicContact CB-CG1 4.25Å; L247-V334 HydrophobicContact CB-CG2 4.42Å; L247-V334 HydrophobicContact CD2-CG1 4.23Å; L247-V334 HydrophobicContact CG-CG1 4.38Å; L247-V334 WeakPolarHBondContact O-CA 3.29Å; E249-V334 HydrophobicContact CG-CG1 4.35Å; P331-V334 HydrophobicContact CB-CG2 4.18Å; P331-V334 HydrophobicContact CG-CG2 4.21Å; P331-V334 PolarHBondContact O-N 3.46Å; P331-V334 VanDerWaalsContact O-N 3.15Å; V334-R336 HydrophobicContact CG1-CG 3.91Å
335A85.4Confident71.7Confident0 Ų059.4 Ų59.40%035%0.346CS..EExtended strand (participates in β ladder)trans-87.2119175.400000110.3Y237 P245 L247 V248 E249 D339 A340Y237-A335 HydrophobicContact CD2-CB 4.42Å; Y237-A335 HydrophobicContact CG-CB 4.11Å; P245-A335 HydrophobicContact CB-CB 3.92Å; P245-A335 HydrophobicContact CG-CB 4.2Å; L247-A335 PolarHBondContact O-N 2.9Å; V248-A335 HydrophobicContact CG2-CB 4.38Å; E249-A335 PolarHBondContact N-O 3.1Å; A335-D339 HydrophobicContact CB-CB 4.4Å; A335-A340 HydrophobicContact CB-CB 4.48Å
336R84.1Confident74.4Confident106 Ų10653.4 Ų53.440%0.431%0.314SS..EExtended strand (participates in β ladder)trans-132.1151.4-178-65.2-174165.5178.9-3.8111.3E249 V334 D338 D339E249-R336 HydrophobicContact CB-CG 4.25Å; E249-R336 VanDerWaalsContact CD-NE 3.29Å; E249-R336 IonicContact OE1-CZ 3.3Å; E249-R336 IonicContact OE1-NE 3.73Å; E249-R336 PolarHBondContact OE1-NE 2.7Å; E249-R336 IonicContact OE1-NH2 2.63Å; E249-R336 PolarHBondContact OE1-NH2 3.21Å; E249-R336 IonicContact OE2-CZ 3.43Å; E249-R336 IonicContact OE2-NE 2.97Å; E249-R336 PolarHBondContact OE2-NE 3.45Å; E249-R336 IonicContact OE2-NH2 3.64Å; E249-R336 PolarHBondContact OE2-NH2 3.04Å; E249-R336 VanDerWaalsContact OE2-NH2 3.15Å; V334-R336 HydrophobicContact CG1-CG 3.91Å; R336-D338 PolarHBondContact O-N 2.96Å; R336-D339 WeakPolarHBondContact O-CB 3.46Å; R336-D339 PolarHBondContact O-N 2.75Å
337G84.3Confident77.2Confident38 Ų3851 Ų5139%0.39230%0.302SS..G310 helixtrans60.9-128.4178.100000111.5D339 A340G337-D339 VanDerWaalsContact C-N 3.26Å; G337-D339 PolarHBondContact O-N 3.42Å; G337-A340 WeakPolarHBondContact O-CB 3.44Å; G337-A340 PolarHBondContact O-N 2.86Å; G337-A340 VanDerWaalsContact O-N 3.13Å
338D82.7Confident79.8Confident114 Ų11454.8 Ų54.861%0.6131%0.305SS*.G310 helixtrans-64.5-28.8179.8-69-17.1000113.2R336 A340 L341R336-D338 PolarHBondContact O-N 2.96Å; D338-A340 PolarHBondContact O-N 2.71Å; D338-L341 WeakPolarHBondContact O-CB 3.34Å; D338-L341 PolarHBondContact O-N 2.78Å
339D85.9Confident82.4Confident22 Ų2249.4 Ų49.412%0.11827%0.272CS..G310 helixtrans-68.6-24.2176.5-92.6-3.5000112.4Y237 R240 A335 R336 G337 L341Y237-D339 HydrophobicContact CD2-CB 4.39Å; Y237-D339 PolarHBondContact N-O 2.88Å; R240-D339 IonicContact CZ-OD1 3.09Å; R240-D339 IonicContact CZ-OD2 2.75Å; R240-D339 IonicContact NE-OD1 3.35Å; R240-D339 PolarHBondContact NE-OD1 2.9Å; R240-D339 IonicContact NE-OD2 3.54Å; R240-D339 IonicContact NH2-OD1 3.89Å; R240-D339 IonicContact NH2-OD2 2.75Å; R240-D339 PolarHBondContact NH2-OD2 2.87Å; A335-D339 HydrophobicContact CB-CB 4.4Å; R336-D339 WeakPolarHBondContact O-CB 3.46Å; R336-D339 PolarHBondContact O-N 2.75Å; G337-D339 VanDerWaalsContact C-N 3.26Å; G337-D339 PolarHBondContact O-N 3.42Å; D339-L341 VanDerWaalsContact C-N 3.33Å
340A87.6Confident84.8Confident0 Ų042.2 Ų42.20%023%0.232CC..G310 helixtrans-79.9-16.5178.100000113.1V248 E249 A335 G337 D338V248-A340 HydrophobicContact CG1-CB 3.98Å; E249-A340 VanDerWaalsContact O-CB 3.3Å; E249-A340 WeakPolarHBondContact O-CB 3.34Å; A335-A340 HydrophobicContact CB-CB 4.48Å; G337-A340 WeakPolarHBondContact O-CB 3.44Å; G337-A340 PolarHBondContact O-N 2.86Å; G337-A340 VanDerWaalsContact O-N 3.13Å; D338-A340 PolarHBondContact O-N 2.71Å
341L89.8Confident86.9Confident32 Ų3242.3 Ų42.317%0.16823%0.233CC..SBendtrans-73.5150.3174.6-58.5179.2000109.7F236 D338 D339 E345 N346F236-L341 WeakPolarHBondContact CB-O 3.47Å; F236-L341 PolarHBondContact N-O 3.35Å; D338-L341 WeakPolarHBondContact O-CB 3.34Å; D338-L341 PolarHBondContact O-N 2.78Å; D339-L341 VanDerWaalsContact C-N 3.33Å; L341-E345 HydrophobicContact CB-CB 3.94Å; L341-E345 HydrophobicContact CD2-CB 4.39Å; L341-N346 HydrophobicContact CB-CB 4.33Å
342S92.8Very high88.6Confident4 Ų442 Ų423%0.02823%0.225CC..BIsolated β-bridgetrans-70.5162166.664.60000111.9N233 V234 L344 E345 N346N233-S342 WeakPolarHBondContact ND2-CB 3.46Å; N233-S342 PolarHBondContact ND2-OG 3.13Å; N233-S342 VanDerWaalsContact OD1-CB 3.24Å; N233-S342 WeakPolarHBondContact OD1-CB 3.1Å; N233-S342 PolarHBondContact OD1-OG 3.43Å; V234-S342 CarbonylContact O-C 3.49Å; V234-S342 WeakPolarHBondContact O-CA 3.44Å; V234-S342 WeakPolarHBondContact O-CB 3.44Å; S342-L344 PolarHBondContact O-N 2.75Å; S342-L344 VanDerWaalsContact O-N 3.16Å; S342-E345 VanDerWaalsContact CB-OE2 3.26Å; S342-E345 WeakPolarHBondContact CB-OE2 3.33Å; S342-E345 PolarHBondContact N-OE2 2.93Å; S342-E345 PolarHBondContact O-N 3.01Å; S342-E345 WeakPolarHBondContact OG-CB 3.47Å; S342-E345 VanDerWaalsContact OG-CD 3.3Å; S342-E345 WeakPolarHBondContact OG-CG 3.39Å; S342-E345 PolarHBondContact OG-N 2.95Å; S342-E345 PolarHBondContact OG-OE2 3.24Å; S342-N346 PolarHBondContact O-N 3.25Å
343I94.2Very high89.9Confident0 Ų034 Ų340%019%0.188CC..THydrogen-bonded Turntrans-59-26.8179.259172.4000112.9M224 F227 C228 G232 N233 V234 W239 S349 R350M224-I343 HydrophobicContact SD-CD1 4.5Å; F227-I343 HydrophobicContact CD1-CD1 4.2Å; F227-I343 HydrophobicContact CE1-CD1 4.38Å; C228-I343 HydrophobicContact CB-CD1 3.88Å; G232-I343 WeakPolarHBondContact O-CD1 3.35Å; N233-I343 WeakPolarHBondContact OD1-CG1 3.38Å; V234-I343 HydrophobicContact CG2-CG2 4.42Å; V234-I343 PolarHBondContact O-N 2.93Å; W239-I343 HydrophobicContact CB-CG2 3.74Å; W239-I343 HydrophobicContact CG-CG2 4.2Å; I343-S349 CarbonylContact O-C 3.54Å; I343-S349 VanDerWaalsContact O-CB 3.3Å; I343-S349 WeakPolarHBondContact O-CB 3.45Å; I343-S349 PolarHBondContact O-OG 2.9Å; I343-R350 PolarHBondContact O-N 2.89Å
344L94.1Very high90.8Very high1 Ų134.6 Ų34.61%0.00519%0.188CC..THydrogen-bonded Turntrans-90.4-16.4175.1-59.7179.8000113.4L190 V193 N233 S342 R350 F353L190-L344 HydrophobicContact CB-CB 4.18Å; L190-L344 HydrophobicContact CD1-CB 4.35Å; L190-L344 HydrophobicContact CD2-CB 4.08Å; L190-L344 HydrophobicContact CG-CB 4.43Å; L190-L344 WeakPolarHBondContact O-CD1 3.46Å; V193-L344 HydrophobicContact CB-CD1 4.15Å; V193-L344 HydrophobicContact CG1-CD1 3.93Å; N233-L344 HydrophobicContact CB-CD1 4.18Å; N233-L344 WeakPolarHBondContact OD1-CB 3.32Å; N233-L344 VanDerWaalsContact OD1-CG 3.31Å; N233-L344 WeakPolarHBondContact OD1-CG 3.49Å; N233-L344 PolarHBondContact OD1-N 3.45Å; S342-L344 PolarHBondContact O-N 2.75Å; S342-L344 VanDerWaalsContact O-N 3.16Å; L344-R350 WeakPolarHBondContact O-CD 3.45Å; L344-R350 PolarHBondContact O-NH1 3.44Å; L344-R350 VanDerWaalsContact O-NH1 3.09Å; L344-F353 HydrophobicContact CD2-CB 4.11Å; L344-F353 HydrophobicContact CD2-CD1 3.54Å; L344-F353 HydrophobicContact CD2-CD2 4.15Å; L344-F353 HydrophobicContact CD2-CE1 3.9Å; L344-F353 HydrophobicContact CD2-CE2 4.47Å; L344-F353 HydrophobicContact CD2-CG 3.67Å; L344-F353 HydrophobicContact CD2-CZ 4.37Å
345E91.6Very high91.5Very high8 Ų838.5 Ų38.54%0.03721%0.208CC..THydrogen-bonded Turntrans-82.4-37.5171.7-74.2170.311800111.6L190 R250 L341 S342 S347 R350 Q424L190-E345 HydrophobicContact CD1-CB 4.42Å; L190-E345 HydrophobicContact CD1-CG 3.5Å; R250-E345 IonicContact CZ-OE1 2.94Å; R250-E345 IonicContact CZ-OE2 3.95Å; R250-E345 IonicContact NH1-OE1 3.36Å; R250-E345 PolarHBondContact NH1-OE1 3.13Å; R250-E345 IonicContact NH1-OE2 2.75Å; R250-E345 IonicContact NH2-OE1 2.71Å; R250-E345 IonicContact NH2-OE2 2.78Å; R250-E345 PolarHBondContact NH2-OE2 3.44Å; L341-E345 HydrophobicContact CB-CB 3.94Å; L341-E345 HydrophobicContact CD2-CB 4.39Å; S342-E345 VanDerWaalsContact CB-OE2 3.26Å; S342-E345 WeakPolarHBondContact CB-OE2 3.33Å; S342-E345 PolarHBondContact N-OE2 2.93Å; S342-E345 PolarHBondContact O-N 3.01Å; S342-E345 WeakPolarHBondContact OG-CB 3.47Å; S342-E345 VanDerWaalsContact OG-CD 3.3Å; S342-E345 WeakPolarHBondContact OG-CG 3.39Å; S342-E345 PolarHBondContact OG-N 2.95Å; S342-E345 PolarHBondContact OG-OE2 3.24Å; E345-S347 PolarHBondContact O-N 3.11Å; E345-R350 PolarHBondContact O-NH1 2.94Å; E345-Q424 PolarHBondContact OE1-NE2 3.08Å
346N91.8Very high92.1Very high12 Ų1239 Ų396%0.06421%0.211CC..SBendtrans-66.8130176.4-179.9-66000110.8F236 L341 S342 Q348 S349 R350F236-N346 HydrophobicContact CD2-CB 3.77Å; F236-N346 HydrophobicContact CE2-CB 4.27Å; F236-N346 HydrophobicContact CG-CB 4.32Å; L341-N346 HydrophobicContact CB-CB 4.33Å; S342-N346 PolarHBondContact O-N 3.25Å; N346-Q348 PolarHBondContact O-N 3.36Å; N346-Q348 WeakPolarHBondContact OD1-CB 3.39Å; N346-Q348 PolarHBondContact OD1-N 2.91Å; N346-S349 WeakPolarHBondContact CB-OG 3.31Å; N346-S349 PolarHBondContact O-OG 3.08Å; N346-S349 PolarHBondContact OD1-N 3.49Å; N346-R350 WeakPolarHBondContact O-CB 3.34Å; N346-R350 PolarHBondContact O-N 3.24Å
347S91.1Very high92.7Very high73 Ų7334 Ų3451%0.5119%0.192SC..Hα-helixtrans-65.5-34.7-172.5-165.80000113.9E345 S351E345-S347 PolarHBondContact O-N 3.11Å; S347-S351 WeakPolarHBondContact O-CB 3.38Å; S347-S351 PolarHBondContact O-N 3.3Å; S347-S351 VanDerWaalsContact O-N 3.11Å; S347-S351 PolarHBondContact O-OG 2.74Å
348Q92.3Very high93.4Very high136 Ų13636.1 Ų36.164%0.63619%0.193SC*.Hα-helixtrans-72.1-54.8-177-176.4-179.54.600110.5N346 R350 S351 Q352N346-Q348 PolarHBondContact O-N 3.36Å; N346-Q348 WeakPolarHBondContact OD1-CB 3.39Å; N346-Q348 PolarHBondContact OD1-N 2.91Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; Q348-R350 PolarHBondContact O-N 3.38Å; Q348-S351 PolarHBondContact O-N 3.37Å; Q348-Q352 PolarHBondContact O-N 3.38Å; Q348-Q352 VanDerWaalsContact O-N 3.09Å
349S94.4Very high94.1Very high1 Ų134.6 Ų34.61%0.00718%0.182CC..Hα-helixtrans-66.6-34.9179.646.60000112.4M224 F236 I343 N346 Q352 F353M224-S349 VanDerWaalsContact CE-CB 3.5Å; F236-S349 WeakPolarHBondContact CD2-OG 3.33Å; I343-S349 CarbonylContact O-C 3.54Å; I343-S349 VanDerWaalsContact O-CB 3.3Å; I343-S349 WeakPolarHBondContact O-CB 3.45Å; I343-S349 PolarHBondContact O-OG 2.9Å; N346-S349 WeakPolarHBondContact CB-OG 3.31Å; N346-S349 PolarHBondContact O-OG 3.08Å; N346-S349 PolarHBondContact OD1-N 3.49Å; S349-Q352 PolarHBondContact O-N 3.4Å; S349-F353 WeakPolarHBondContact O-CB 3.49Å; S349-F353 PolarHBondContact O-N 2.94Å
350R95.2Very high94.6Very high20 Ų2033.6 Ų33.68%0.07518%0.176CC..Hα-helixtrans-61.3-45.1172.7178.7-178.254.2-112.41.7111.7I343 L344 E345 N346 Q348 Q352 F353 I354 F421I343-R350 PolarHBondContact O-N 2.89Å; L344-R350 WeakPolarHBondContact O-CD 3.45Å; L344-R350 PolarHBondContact O-NH1 3.44Å; L344-R350 VanDerWaalsContact O-NH1 3.09Å; E345-R350 PolarHBondContact O-NH1 2.94Å; N346-R350 WeakPolarHBondContact O-CB 3.34Å; N346-R350 PolarHBondContact O-N 3.24Å; Q348-R350 VanDerWaalsContact C-N 3.34Å; Q348-R350 PolarHBondContact O-N 3.38Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; R350-F353 PolarHBondContact O-N 2.75Å; R350-I354 HydrophobicContact CG-CD1 3.83Å; R350-I354 HydrophobicContact CG-CG1 4.42Å; R350-I354 WeakPolarHBondContact O-CG1 3.06Å; R350-I354 PolarHBondContact O-N 2.96Å; R350-F421 VanDerWaalsContact CD-CE2 3.42Å
351S95Very high95.2Very high52 Ų5236 Ų3636%0.36419%0.188SC..Hα-helixtrans-62.2-46.8-179.8-56.50000110.2S347 Q348 F353 I354 D355S347-S351 WeakPolarHBondContact O-CB 3.38Å; S347-S351 PolarHBondContact O-N 3.3Å; S347-S351 VanDerWaalsContact O-N 3.11Å; S347-S351 PolarHBondContact O-OG 2.74Å; Q348-S351 PolarHBondContact O-N 3.37Å; S351-F353 VanDerWaalsContact C-N 3.34Å; S351-F353 PolarHBondContact O-N 2.9Å; S351-I354 PolarHBondContact O-N 3.42Å; S351-I354 VanDerWaalsContact O-N 3.14Å; S351-D355 PolarHBondContact O-N 3.34Å
352Q96.6Very high95.5Very high65 Ų6537.3 Ų37.330%0.30420%0.203SC..Hα-helixtrans-59-43.1175-174.4177.8-0.900112.7M224 Q348 S349 R350 I354 D355 E356M224-Q352 HydrophobicContact CB-CB 4.45Å; M224-Q352 HydrophobicContact CB-CG 3.86Å; M224-Q352 HydrophobicContact CG-CG 4.46Å; Q348-Q352 PolarHBondContact O-N 3.38Å; Q348-Q352 VanDerWaalsContact O-N 3.09Å; S349-Q352 PolarHBondContact O-N 3.4Å; R350-Q352 VanDerWaalsContact C-N 3.34Å; Q352-I354 VanDerWaalsContact C-N 3.33Å; Q352-I354 PolarHBondContact O-N 2.81Å; Q352-D355 PolarHBondContact O-N 3.38Å; Q352-E356 HydrophobicContact CG-CG 4.44Å; Q352-E356 VanDerWaalsContact CG-OE1 3.32Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.69Å; Q352-E356 WeakPolarHBondContact O-CB 3.49Å; Q352-E356 VanDerWaalsContact O-CG 3.28Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 2.83Å
353F97Very high95.8Very high0 Ų037.9 Ų37.90%021%0.205CC..Hα-helixtrans-61.3-40.5176.3-176.9-95.4000112.3V193 A197 M224 L225 C228 L344 S349 R350 S351 L357 L408 L412V193-F353 HydrophobicContact CG1-CE1 4.37Å; A197-F353 HydrophobicContact CB-CE2 4.38Å; A197-F353 HydrophobicContact CB-CZ 4.13Å; M224-F353 HydrophobicContact CG-CB 3.82Å; M224-F353 HydrophobicContact CG-CD2 4.23Å; L225-F353 HydrophobicContact CD1-CD2 4Å; L225-F353 HydrophobicContact CD1-CE2 3.32Å; L225-F353 HydrophobicContact CD1-CZ 3.7Å; C228-F353 HydrophobicContact CB-CD2 3.98Å; C228-F353 HydrophobicContact CB-CE2 3.55Å; C228-F353 VanDerWaalsContact SG-CE2 3.58Å; L344-F353 HydrophobicContact CD2-CB 4.11Å; L344-F353 HydrophobicContact CD2-CD1 3.54Å; L344-F353 HydrophobicContact CD2-CD2 4.15Å; L344-F353 HydrophobicContact CD2-CE1 3.9Å; L344-F353 HydrophobicContact CD2-CE2 4.47Å; L344-F353 HydrophobicContact CD2-CG 3.67Å; L344-F353 HydrophobicContact CD2-CZ 4.37Å; S349-F353 WeakPolarHBondContact O-CB 3.49Å; S349-F353 PolarHBondContact O-N 2.94Å; R350-F353 PolarHBondContact O-N 2.75Å; S351-F353 VanDerWaalsContact C-N 3.34Å; S351-F353 PolarHBondContact O-N 2.9Å; F353-L357 HydrophobicContact CD1-CD1 3.76Å; F353-L357 HydrophobicContact CD1-CG 4.48Å; F353-L357 HydrophobicContact CE1-CD1 3.39Å; F353-L357 HydrophobicContact CE1-CG 4.22Å; F353-L357 HydrophobicContact CZ-CD1 4.07Å; F353-L357 WeakPolarHBondContact O-CG 3.33Å; F353-L357 PolarHBondContact O-N 2.91Å; F353-L357 VanDerWaalsContact O-N 3.09Å; F353-L408 HydrophobicContact CE1-CD2 3.74Å; F353-L408 HydrophobicContact CZ-CD2 3.87Å; F353-L412 HydrophobicContact CD1-CD1 3.64Å; F353-L412 HydrophobicContact CE1-CD1 3.54Å
354I97.2Very high95.9Very high25 Ų2537.9 Ų37.913%0.12821%0.205CC..Hα-helixtrans-68-44.6176.6-69.6170.3000110.8R350 S351 Q352 E356 L357 M358 L409 L412 T413R350-I354 HydrophobicContact CG-CD1 3.83Å; R350-I354 HydrophobicContact CG-CG1 4.42Å; R350-I354 WeakPolarHBondContact O-CG1 3.06Å; R350-I354 PolarHBondContact O-N 2.96Å; S351-I354 PolarHBondContact O-N 3.42Å; S351-I354 VanDerWaalsContact O-N 3.14Å; Q352-I354 VanDerWaalsContact C-N 3.33Å; Q352-I354 PolarHBondContact O-N 2.81Å; I354-E356 VanDerWaalsContact C-N 3.33Å; I354-E356 PolarHBondContact O-N 3.34Å; I354-L357 WeakPolarHBondContact O-CB 3.49Å; I354-L357 PolarHBondContact O-N 2.92Å; I354-M358 HydrophobicContact CG2-CE 3.77Å; I354-M358 HydrophobicContact CG2-CG 4.5Å; I354-M358 HydrophobicContact CG2-SD 4.36Å; I354-M358 WeakPolarHBondContact O-CG 3.42Å; I354-M358 PolarHBondContact O-N 2.97Å; I354-L409 HydrophobicContact CG2-CD1 4Å; I354-L412 HydrophobicContact CD1-CB 4.18Å; I354-L412 HydrophobicContact CG1-CB 4.19Å; I354-L412 HydrophobicContact CG1-CD1 4.08Å; I354-T413 HydrophobicContact CG2-CG2 4.01Å
355D98Very high96.1Very high99 Ų9940.5 Ų40.553%0.52922%0.221SC..Hα-helixtrans-60.3-44.5178.5-66.4-23.5000110.9S351 Q352 L357 M358 E359S351-D355 PolarHBondContact O-N 3.34Å; Q352-D355 PolarHBondContact O-N 3.38Å; D355-L357 VanDerWaalsContact C-N 3.34Å; D355-L357 PolarHBondContact O-N 2.99Å; D355-M358 WeakPolarHBondContact O-CB 3.41Å; D355-M358 PolarHBondContact O-N 3.45Å; D355-E359 WeakPolarHBondContact O-CB 3.28Å; D355-E359 PolarHBondContact O-N 2.96Å
356E97.9Very high96.2Very high11 Ų1145.1 Ų45.15%0.05124%0.243CC..Hα-helixtrans-66.3-33177-72.7178.2-161.800112.5L222 P223 M224 L225 Q352 I354 L360L222-E356 VanDerWaalsContact CA-OE2 3.23Å; L222-E356 WeakPolarHBondContact CA-OE2 3.32Å; L222-E356 HydrophobicContact CB-CB 4.42Å; L222-E356 HydrophobicContact CB-CG 4.48Å; L222-E356 HydrophobicContact CD2-CB 3.81Å; L222-E356 HydrophobicContact CD2-CG 4.01Å; P223-E356 WeakPolarHBondContact CD-OE1 3.22Å; P223-E356 WeakPolarHBondContact CG-OE1 3.32Å; M224-E356 WeakPolarHBondContact CA-OE2 3.42Å; M224-E356 WeakPolarHBondContact CB-OE1 3.39Å; M224-E356 WeakPolarHBondContact CB-OE2 3.33Å; M224-E356 PolarHBondContact N-OE1 3.47Å; M224-E356 VanDerWaalsContact N-OE1 3.13Å; M224-E356 PolarHBondContact N-OE2 2.81Å; L225-E356 HydrophobicContact CB-CB 4.17Å; L225-E356 WeakPolarHBondContact CB-OE2 3.34Å; L225-E356 PolarHBondContact N-OE2 3.25Å; Q352-E356 HydrophobicContact CG-CG 4.44Å; Q352-E356 VanDerWaalsContact CG-OE1 3.32Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.69Å; Q352-E356 WeakPolarHBondContact O-CB 3.49Å; Q352-E356 VanDerWaalsContact O-CG 3.28Å; Q352-E356 WeakPolarHBondContact O-CG 3.48Å; Q352-E356 PolarHBondContact O-N 2.83Å; I354-E356 VanDerWaalsContact C-N 3.33Å; I354-E356 PolarHBondContact O-N 3.34Å; E356-L360 WeakPolarHBondContact O-CB 3.5Å; E356-L360 PolarHBondContact O-N 2.89Å; E356-L360 VanDerWaalsContact O-N 3.11Å
357L97.9Very high96.2Very high0 Ų046 Ų460%025%0.245CC..Hα-helixtrans-68.4-40170.5-77.3171000112.4L200 L225 F353 I354 D355 E359 L360 E361 V405 L408 L409 L412L200-L357 HydrophobicContact CD1-CD2 3.65Å; L225-L357 HydrophobicContact CD1-CD2 3.72Å; L225-L357 HydrophobicContact CD1-CG 4.08Å; L225-L357 HydrophobicContact CD2-CD2 4.1Å; F353-L357 HydrophobicContact CD1-CD1 3.76Å; F353-L357 HydrophobicContact CD1-CG 4.48Å; F353-L357 HydrophobicContact CE1-CD1 3.39Å; F353-L357 HydrophobicContact CE1-CG 4.22Å; F353-L357 HydrophobicContact CZ-CD1 4.07Å; F353-L357 WeakPolarHBondContact O-CG 3.33Å; F353-L357 PolarHBondContact O-N 2.91Å; F353-L357 VanDerWaalsContact O-N 3.09Å; I354-L357 WeakPolarHBondContact O-CB 3.49Å; I354-L357 PolarHBondContact O-N 2.92Å; D355-L357 VanDerWaalsContact C-N 3.34Å; D355-L357 PolarHBondContact O-N 2.99Å; L357-E359 VanDerWaalsContact C-N 3.35Å; L357-L360 PolarHBondContact O-N 3.46Å; L357-E361 WeakPolarHBondContact O-CB 3.47Å; L357-E361 PolarHBondContact O-N 3.47Å; L357-V405 HydrophobicContact CD2-CG1 4.17Å; L357-V405 WeakPolarHBondContact O-CG1 3.26Å; L357-L408 HydrophobicContact CD1-CD2 3.51Å; L357-L408 HydrophobicContact CD2-CD2 4.11Å; L357-L408 HydrophobicContact CG-CD2 4.46Å; L357-L409 HydrophobicContact CB-CD1 3.96Å; L357-L409 HydrophobicContact CD1-CD1 4.42Å; L357-L412 HydrophobicContact CD1-CD1 4.23Å
358M97.9Very high96.4Very high84 Ų8443.4 Ų43.441%0.41423%0.226SC..Hα-helixtrans-65.9-38.7175.8-72.4-175.6178.600111.5I354 D355 L360 E361 A362 L409 T413I354-M358 HydrophobicContact CG2-CE 3.77Å; I354-M358 HydrophobicContact CG2-CG 4.5Å; I354-M358 HydrophobicContact CG2-SD 4.36Å; I354-M358 WeakPolarHBondContact O-CG 3.42Å; I354-M358 PolarHBondContact O-N 2.97Å; D355-M358 WeakPolarHBondContact O-CB 3.41Å; D355-M358 PolarHBondContact O-N 3.45Å; M358-L360 VanDerWaalsContact C-N 3.34Å; M358-E361 PolarHBondContact O-N 3.4Å; M358-A362 WeakPolarHBondContact O-CB 3.28Å; M358-A362 PolarHBondContact O-N 2.95Å; M358-L409 HydrophobicContact CE-CD1 4.26Å; M358-L409 HydrophobicContact CG-CD1 3.91Å; M358-L409 HydrophobicContact CG-CD2 3.94Å; M358-T413 HydrophobicContact CE-CG2 4.02Å
359E97.8Very high96.4Very high82 Ų8240.5 Ų40.538%0.38322%0.218SC..Hα-helixtrans-58.3-47.1172.7-176.6178.8157.800110.8Y207 L222 D355 L357 A362 F363Y207-E359 HydrophobicContact CE1-CG 4.43Å; Y207-E359 VanDerWaalsContact CE1-OE1 3.24Å; Y207-E359 WeakPolarHBondContact CE1-OE1 3.35Å; Y207-E359 PolarHBondContact OH-OE1 3.05Å; L222-E359 HydrophobicContact CD2-CB 4.27Å; L222-E359 HydrophobicContact CD2-CG 4.18Å; D355-E359 WeakPolarHBondContact O-CB 3.28Å; D355-E359 PolarHBondContact O-N 2.96Å; L357-E359 VanDerWaalsContact C-N 3.35Å; E359-A362 PolarHBondContact O-N 3.34Å; E359-F363 WeakPolarHBondContact O-CB 3.4Å; E359-F363 PolarHBondContact O-N 2.92Å
360L97.5Very high96.1Very high0 Ų044.2 Ų44.20%024%0.235CC..Hα-helixtrans-67-39.1178-168.960.8000112.5Q203 Y207 L222 L225 E356 L357 M358 F363 L364 V405Q203-L360 HydrophobicContact CB-CD1 4.16Å; Q203-L360 HydrophobicContact CB-CD2 3.75Å; Q203-L360 HydrophobicContact CB-CG 4.23Å; Y207-L360 HydrophobicContact CG-CD1 4.17Å; L222-L360 HydrophobicContact CD1-CB 4.37Å; L222-L360 HydrophobicContact CD1-CD1 4.09Å; L222-L360 HydrophobicContact CD1-CD2 4.42Å; L225-L360 HydrophobicContact CD2-CD2 3.8Å; E356-L360 WeakPolarHBondContact O-CB 3.5Å; E356-L360 PolarHBondContact O-N 2.89Å; E356-L360 VanDerWaalsContact O-N 3.11Å; L357-L360 PolarHBondContact O-N 3.46Å; M358-L360 VanDerWaalsContact C-N 3.34Å; L360-F363 HydrophobicContact CD1-CD1 4.32Å; L360-L364 HydrophobicContact CG-CD1 4.21Å; L360-L364 WeakPolarHBondContact O-CB 3.28Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 3.12Å; L360-V405 HydrophobicContact CB-CG1 4.42Å; L360-V405 HydrophobicContact CD2-CG2 3.79Å; L360-V405 HydrophobicContact CG-CG2 4.06Å
361E98.3Very high95.7Very high52 Ų5246.4 Ų46.424%0.24325%0.247CC..Hα-helixtrans-60.7-48172.9-175.1-169.7-161.700111.1L357 M358 F363 L364 T365 L402 V405 Q406 L409L357-E361 WeakPolarHBondContact O-CB 3.47Å; L357-E361 PolarHBondContact O-N 3.47Å; M358-E361 PolarHBondContact O-N 3.4Å; E361-F363 PolarHBondContact O-N 3.27Å; E361-L364 PolarHBondContact O-N 2.98Å; E361-T365 VanDerWaalsContact O-CB 3.24Å; E361-T365 WeakPolarHBondContact O-CB 3.42Å; E361-T365 PolarHBondContact O-N 3.4Å; E361-T365 PolarHBondContact O-OG1 3.33Å; E361-L402 HydrophobicContact CB-CD1 4.49Å; E361-L402 HydrophobicContact CG-CD1 3.76Å; E361-V405 HydrophobicContact CB-CG1 4.07Å; E361-Q406 HydrophobicContact CG-CG 4Å; E361-Q406 WeakPolarHBondContact OE1-CG 3.3Å; E361-Q406 PolarHBondContact OE1-NE2 3.45Å; E361-L409 WeakPolarHBondContact OE2-CD2 3.17Å
362A97.9Very high95.1Very high59 Ų5945.5 Ų45.549%0.48824%0.243SC..Hα-helixtrans-61-46.1179.800000110.9M358 E359 T365 Q366M358-A362 WeakPolarHBondContact O-CB 3.28Å; M358-A362 PolarHBondContact O-N 2.95Å; E359-A362 PolarHBondContact O-N 3.34Å; A362-T365 PolarHBondContact O-N 3Å; A362-Q366 WeakPolarHBondContact O-CB 3.41Å; A362-Q366 PolarHBondContact O-N 3.34Å
363F97.4Very high94.2Very high16 Ų1649.5 Ų49.57%0.0726%0.261CS..Hα-helixtrans-56.7-53.4174.7165-109.1000112L206 Y207 F210 E359 L360 E361 T365 Q366 R367L206-F363 HydrophobicContact CD2-CE1 4.35Å; L206-F363 HydrophobicContact CG-CE1 4.14Å; L206-F363 HydrophobicContact CG-CZ 4.26Å; Y207-F363 HydrophobicContact CD2-CB 3.85Å; Y207-F363 AromaticContact CD2-CD1 3.58Å; Y207-F363 HydrophobicContact CD2-CD1 3.58Å; Y207-F363 AromaticContact CD2-CD2 3.78Å; Y207-F363 HydrophobicContact CD2-CD2 3.78Å; Y207-F363 HydrophobicContact CD2-CE1 4.03Å; Y207-F363 HydrophobicContact CD2-CE2 4.21Å; Y207-F363 AromaticContact CD2-CG 3.44Å; Y207-F363 HydrophobicContact CD2-CG 3.44Å; Y207-F363 VanDerWaalsContact CD2-CG 3.44Å; Y207-F363 HydrophobicContact CD2-CZ 4.32Å; Y207-F363 HydrophobicContact CE2-CB 3.88Å; Y207-F363 HydrophobicContact CE2-CD1 4.43Å; Y207-F363 HydrophobicContact CE2-CD2 4.05Å; Y207-F363 AromaticContact CE2-CG 3.86Å; Y207-F363 HydrophobicContact CE2-CG 3.86Å; Y207-F363 HydrophobicContact CG-CD1 4.33Å; F210-F363 HydrophobicContact CB-CE2 3.92Å; F210-F363 HydrophobicContact CB-CZ 3.84Å; F210-F363 HydrophobicContact CD1-CD2 4.49Å; F210-F363 AromaticContact CD1-CE2 3.61Å; F210-F363 HydrophobicContact CD1-CE2 3.61Å; F210-F363 HydrophobicContact CD1-CZ 4.36Å; F210-F363 HydrophobicContact CD2-CE2 4.19Å; F210-F363 HydrophobicContact CD2-CZ 4.3Å; F210-F363 HydrophobicContact CE1-CE2 4.21Å; F210-F363 AromaticContact CG-CE2 3.62Å; F210-F363 HydrophobicContact CG-CE2 3.62Å; F210-F363 AromaticContact CG-CZ 3.9Å; F210-F363 HydrophobicContact CG-CZ 3.9Å; E359-F363 WeakPolarHBondContact O-CB 3.4Å; E359-F363 PolarHBondContact O-N 2.92Å; L360-F363 HydrophobicContact CD1-CD1 4.32Å; E361-F363 PolarHBondContact O-N 3.27Å; F363-T365 PolarHBondContact O-N 3.36Å; F363-Q366 WeakPolarHBondContact O-CB 3.32Å; F363-Q366 PolarHBondContact O-N 3.26Å; F363-R367 HydrophobicContact CD2-CG 4.06Å; F363-R367 HydrophobicContact CE1-CG 4.15Å; F363-R367 HydrophobicContact CE2-CG 3.57Å; F363-R367 HydrophobicContact CZ-CG 3.63Å; F363-R367 WeakPolarHBondContact O-CG 3.49Å; F363-R367 PolarHBondContact O-N 2.79Å
364L97.6Very high92.2Very high0 Ų058.4 Ų58.40%030%0.303CS..Hα-helixtrans-66.6-37.4-177.2-69.2170000111.8Q203 L206 L360 E361 Q366 R367 V368 V398 L401 L402 V405Q203-L364 HydrophobicContact CB-CD1 4.4Å; Q203-L364 HydrophobicContact CG-CD1 4.03Å; L206-L364 HydrophobicContact CD2-CD2 4.22Å; L360-L364 HydrophobicContact CG-CD1 4.21Å; L360-L364 WeakPolarHBondContact O-CB 3.28Å; L360-L364 VanDerWaalsContact O-CG 3.3Å; L360-L364 WeakPolarHBondContact O-CG 3.34Å; L360-L364 PolarHBondContact O-N 3.12Å; E361-L364 PolarHBondContact O-N 2.98Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.28Å; L364-R367 PolarHBondContact O-N 2.97Å; L364-V368 WeakPolarHBondContact O-CG2 3.33Å; L364-V368 PolarHBondContact O-N 3.49Å; L364-V398 HydrophobicContact CD2-CG1 3.82Å; L364-L401 HydrophobicContact CD1-CB 4.31Å; L364-L401 HydrophobicContact CD2-CB 4.32Å; L364-L402 HydrophobicContact CB-CB 3.99Å; L364-L402 HydrophobicContact CB-CD1 3.87Å; L364-L402 HydrophobicContact CB-CG 4.44Å; L364-L402 HydrophobicContact CD1-CB 4.47Å; L364-V405 HydrophobicContact CD1-CG2 3.85Å
365T97.8Very high90.1Very high55 Ų5560.5 Ų60.534%0.33733%0.331SS..Hα-helixtrans-61.1-44.8174.5-61.50000111.2E361 A362 F363 V368 T369 L402E361-T365 VanDerWaalsContact O-CB 3.24Å; E361-T365 WeakPolarHBondContact O-CB 3.42Å; E361-T365 PolarHBondContact O-N 3.4Å; E361-T365 PolarHBondContact O-OG1 3.33Å; A362-T365 PolarHBondContact O-N 3Å; F363-T365 PolarHBondContact O-N 3.36Å; T365-V368 PolarHBondContact O-N 3Å; T365-T369 PolarHBondContact O-N 2.98Å; T365-T369 VanDerWaalsContact O-N 3.14Å; T365-T369 PolarHBondContact O-OG1 2.97Å; T365-L402 WeakPolarHBondContact OG1-CD1 3.26Å
366Q94.1Very high88Confident105 Ų10560.2 Ų60.249%0.49133%0.33SS..Hα-helixtrans-61.9-46.8174.7-178177.9-12.100110.8A362 F363 L364 V368 T369 E370A362-Q366 WeakPolarHBondContact O-CB 3.41Å; A362-Q366 PolarHBondContact O-N 3.34Å; F363-Q366 WeakPolarHBondContact O-CB 3.32Å; F363-Q366 PolarHBondContact O-N 3.26Å; L364-Q366 VanDerWaalsContact C-N 3.34Å; L364-Q366 PolarHBondContact O-N 3.28Å; Q366-V368 PolarHBondContact O-N 2.81Å; Q366-T369 WeakPolarHBondContact O-CB 3.5Å; Q366-T369 PolarHBondContact O-N 3.47Å; Q366-T369 VanDerWaalsContact O-N 3.12Å; Q366-E370 HydrophobicContact CG-CG 4.37Å; Q366-E370 VanDerWaalsContact CG-OE1 3.27Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.37Å; Q366-E370 PolarHBondContact NE2-OE1 2.94Å; Q366-E370 WeakPolarHBondContact O-CG 3.47Å; Q366-E370 PolarHBondContact O-N 2.95Å
367R92.4Very high86Confident31 Ų3167.7 Ų67.712%0.11737%0.366CS..Hα-helixtrans-57.6-46.1176.9-70.3-63111.4-154.6-6.3112.3F210 F363 L364 T369 E370 M371 V398F210-R367 VanDerWaalsContact CE2-NH1 3.32Å; F210-R367 VanDerWaalsContact CZ-NH2 3.32Å; F363-R367 HydrophobicContact CD2-CG 4.06Å; F363-R367 HydrophobicContact CE1-CG 4.15Å; F363-R367 HydrophobicContact CE2-CG 3.57Å; F363-R367 HydrophobicContact CZ-CG 3.63Å; F363-R367 WeakPolarHBondContact O-CG 3.49Å; F363-R367 PolarHBondContact O-N 2.79Å; L364-R367 PolarHBondContact O-N 2.97Å; R367-T369 PolarHBondContact O-N 3.01Å; R367-E370 IonicContact CZ-OE1 2.76Å; R367-E370 IonicContact CZ-OE2 2.7Å; R367-E370 IonicContact NE-OE2 3.72Å; R367-E370 IonicContact NH1-OE2 2.77Å; R367-E370 PolarHBondContact NH1-OE2 3.13Å; R367-E370 IonicContact NH2-OE1 3.72Å; R367-E370 PolarHBondContact NH2-OE1 3.35Å; R367-E370 IonicContact NH2-OE2 3.94Å; R367-E370 PolarHBondContact NH2-OE2 3.47Å; R367-E370 PolarHBondContact O-N 3.24Å; R367-M371 WeakPolarHBondContact O-CB 3.31Å; R367-M371 WeakPolarHBondContact O-CG 3.26Å; R367-M371 PolarHBondContact O-N 3.41Å; R367-V398 HydrophobicContact CB-CG1 3.85Å
368V94.1Very high84.2Confident18 Ų1871.2 Ų71.211%0.10939%0.388CS..Hα-helixtrans-60.7-34.9178.3170.70000111.9L364 T365 Q366 A372 V398 R399 L402L364-V368 WeakPolarHBondContact O-CG2 3.33Å; L364-V368 PolarHBondContact O-N 3.49Å; T365-V368 PolarHBondContact O-N 3Å; Q366-V368 PolarHBondContact O-N 2.81Å; V368-A372 PolarHBondContact O-N 3.14Å; V368-V398 HydrophobicContact CG2-CB 4.14Å; V368-V398 HydrophobicContact CG2-CG1 3.74Å; V368-R399 HydrophobicContact CG2-CB 4.27Å; V368-L402 HydrophobicContact CG2-CD2 4.33Å
369T91.9Very high82.5Confident76 Ų7669 Ų6947%0.46638%0.382SS..Hα-helixtrans-73.4-48.5178.6-540000111T365 Q366 R367 M371 A372 E373T365-T369 PolarHBondContact O-N 2.98Å; T365-T369 VanDerWaalsContact O-N 3.14Å; T365-T369 PolarHBondContact O-OG1 2.97Å; Q366-T369 WeakPolarHBondContact O-CB 3.5Å; Q366-T369 PolarHBondContact O-N 3.47Å; Q366-T369 VanDerWaalsContact O-N 3.12Å; R367-T369 PolarHBondContact O-N 3.01Å; T369-M371 VanDerWaalsContact C-N 3.3Å; T369-M371 PolarHBondContact O-N 3.49Å; T369-A372 WeakPolarHBondContact O-CB 3.46Å; T369-A372 PolarHBondContact O-N 2.8Å; T369-E373 PolarHBondContact O-N 3.32Å
370E88.7Confident80.8Confident78 Ų7872.4 Ų72.436%0.36440%0.4SS..Hα-helixtrans-60.4-38.4177.1-70.5179.3-159.500112.2Q366 R367 A372 E373Q366-E370 HydrophobicContact CG-CG 4.37Å; Q366-E370 VanDerWaalsContact CG-OE1 3.27Å; Q366-E370 WeakPolarHBondContact CG-OE1 3.37Å; Q366-E370 PolarHBondContact NE2-OE1 2.94Å; Q366-E370 WeakPolarHBondContact O-CG 3.47Å; Q366-E370 PolarHBondContact O-N 2.95Å; R367-E370 IonicContact CZ-OE1 2.76Å; R367-E370 IonicContact CZ-OE2 2.7Å; R367-E370 IonicContact NE-OE2 3.72Å; R367-E370 IonicContact NH1-OE2 2.77Å; R367-E370 PolarHBondContact NH1-OE2 3.13Å; R367-E370 IonicContact NH2-OE1 3.72Å; R367-E370 PolarHBondContact NH2-OE1 3.35Å; R367-E370 IonicContact NH2-OE2 3.94Å; R367-E370 PolarHBondContact NH2-OE2 3.47Å; R367-E370 PolarHBondContact O-N 3.24Å; E370-A372 PolarHBondContact O-N 2.76Å; E370-E373 PolarHBondContact O-N 3.25Å
371M86.8Confident79.4Confident66 Ų6675.2 Ų75.233%0.32542%0.42SS..THydrogen-bonded Turntrans-73.5-12.5175.7-64.8177.286.100113.5R367 T369 Q393 T394 R395 V398R367-M371 WeakPolarHBondContact O-CB 3.31Å; R367-M371 WeakPolarHBondContact O-CG 3.26Å; R367-M371 PolarHBondContact O-N 3.41Å; T369-M371 VanDerWaalsContact C-N 3.3Å; T369-M371 PolarHBondContact O-N 3.49Å; M371-Q393 HydrophobicContact CE-CB 4.35Å; M371-Q393 WeakPolarHBondContact CE-O 3.43Å; M371-T394 VanDerWaalsContact CE-C 3.47Å; M371-R395 HydrophobicContact CB-CB 4.13Å; M371-R395 HydrophobicContact CB-CG 4.22Å; M371-V398 HydrophobicContact SD-CB 4.45Å; M371-V398 HydrophobicContact SD-CG2 3.92Å
372A82.6Confident78.1Confident34 Ų3478.4 Ų78.428%0.28144%0.435SS..THydrogen-bonded Turntrans-83.6-25.5176.300000112.8V368 T369 E370 E374 R395V368-A372 PolarHBondContact O-N 3.14Å; T369-A372 WeakPolarHBondContact O-CB 3.46Å; T369-A372 PolarHBondContact O-N 2.8Å; E370-A372 PolarHBondContact O-N 2.76Å; A372-E374 PolarHBondContact O-N 3.47Å; A372-R395 VanDerWaalsContact CB-NH2 3.28Å
373E76.9Confident77.4Confident148 Ų14878 Ų7869%0.69242%0.422SS*.  trans-78.569.3177.2-62.8-174171.300108.9T369 E370 G375T369-E373 PolarHBondContact O-N 3.32Å; E370-E373 PolarHBondContact O-N 3.25Å; E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 3.49Å
374E55.7Low76.6Confident187 Ų18783.9 Ų83.987%0.87445%0.45SS*.THydrogen-bonded Turntrans-62.885.2173.3-72.4-178.8173.600109.7A372A372-E374 PolarHBondContact O-N 3.47Å
375G53.3Low76.1Confident69 Ų6991.5 Ų91.571%0.71149%0.49SS*.THydrogen-bonded Turntrans-169.9-22.3179.800000116.7E373 M377E373-G375 VanDerWaalsContact C-N 3.27Å; E373-G375 PolarHBondContact O-N 3.49Å; G375-M377 PolarHBondContact O-N 3.04Å
376D54.4Low75.7Confident94 Ų9489.1 Ų89.150%0.50348%0.476SS..  trans-97.592.6-172.6-146-2.6000112.3V378 A379 M380D376-V378 PolarHBondContact O-N 3.34Å; D376-V378 VanDerWaalsContact OD1-CB 3.29Å; D376-V378 WeakPolarHBondContact OD1-CB 3.43Å; D376-V378 WeakPolarHBondContact OD1-CG2 3.19Å; D376-V378 PolarHBondContact OD1-N 3.49Å; D376-A379 HydrophobicContact CB-CB 4.1Å; D376-A379 PolarHBondContact O-N 3.03Å; D376-M380 PolarHBondContact O-N 3.47Å
377M55.8Low75.5Confident168 Ų16886.9 Ų86.983%0.82847%0.47SS*.Hα-helixtrans-50.8-23.8166.9-77.9-174.7-8300111.9G375 S381G375-M377 PolarHBondContact O-N 3.04Å; M377-S381 PolarHBondContact O-N 3.36Å
378V59.6Low75.3Confident74 Ų7488.8 Ų88.845%0.44849%0.489SS..Hα-helixtrans-70.6-43.3175.9-172.70000111.4D376 M380 S381 Q382D376-V378 PolarHBondContact O-N 3.34Å; D376-V378 VanDerWaalsContact OD1-CB 3.29Å; D376-V378 WeakPolarHBondContact OD1-CB 3.43Å; D376-V378 WeakPolarHBondContact OD1-CG2 3.19Å; D376-V378 PolarHBondContact OD1-N 3.49Å; V378-M380 VanDerWaalsContact C-N 3.32Å; V378-M380 PolarHBondContact O-N 2.57Å; V378-S381 PolarHBondContact O-N 2.74Å; V378-S381 PolarHBondContact O-OG 3.34Å; V378-Q382 WeakPolarHBondContact O-CG 3.49Å; V378-Q382 PolarHBondContact O-N 3.25Å; V378-Q382 VanDerWaalsContact O-N 3.07Å
379A62.3Low75.2Confident36 Ų3689.9 Ų89.930%0.29849%0.493SS..Hα-helixtrans-61.3-40.8175.600000111.8D376 S381 Q382 F383D376-A379 HydrophobicContact CB-CB 4.1Å; D376-A379 PolarHBondContact O-N 3.03Å; A379-S381 PolarHBondContact O-N 2.71Å; A379-Q382 PolarHBondContact O-N 3.01Å; A379-F383 VanDerWaalsContact O-CD2 3.23Å; A379-F383 WeakPolarHBondContact O-CD2 3.44Å; A379-F383 PolarHBondContact O-N 2.91Å
380M62.7Low75.2Confident155 Ų15587.1 Ų87.176%0.76448%0.476SS*.Hα-helixtrans-64-28174.9-68.9-70.316200113.1D376 V378D376-M380 PolarHBondContact O-N 3.47Å; V378-M380 VanDerWaalsContact C-N 3.32Å; V378-M380 PolarHBondContact O-N 2.57Å
381S66.2Low75.1Confident59 Ų5988.2 Ų88.241%0.41348%0.481SS..Hα-helixtrans-78.7-32.1175.674.70000113.3M377 V378 A379 F383 Q384M377-S381 PolarHBondContact O-N 3.36Å; V378-S381 PolarHBondContact O-N 2.74Å; V378-S381 PolarHBondContact O-OG 3.34Å; A379-S381 PolarHBondContact O-N 2.71Å; S381-F383 PolarHBondContact O-N 3.47Å; S381-Q384 WeakPolarHBondContact O-CG 3.49Å; S381-Q384 PolarHBondContact O-N 2.95Å
382Q72.4Confident75.1Confident119 Ų11994.7 Ų94.756%0.55650%0.502SS*.Hα-helixtrans-68.1-33.3-178.7-71174.925.700112.6V378 A379V378-Q382 WeakPolarHBondContact O-CG 3.49Å; V378-Q382 PolarHBondContact O-N 3.25Å; V378-Q382 VanDerWaalsContact O-N 3.07Å; A379-Q382 PolarHBondContact O-N 3.01Å
383F82.2Confident75.5Confident50 Ų5094.5 Ų94.522%0.21950%0.495CS..G310 helixtrans-90.87.4-179.3-63.5-69.4000114.6F210 F213 A379 S381 L385 A386 I390 Q391F210-F383 AromaticContact CE2-CE1 3.5Å; F210-F383 HydrophobicContact CE2-CE1 3.5Å; F210-F383 AromaticContact CE2-CZ 3.85Å; F210-F383 HydrophobicContact CE2-CZ 3.85Å; F210-F383 AromaticContact CZ-CE1 3.84Å; F210-F383 HydrophobicContact CZ-CE1 3.84Å; F210-F383 AromaticContact CZ-CZ 3.93Å; F210-F383 HydrophobicContact CZ-CZ 3.93Å; F213-F383 HydrophobicContact CD1-CD1 4.22Å; F213-F383 HydrophobicContact CD1-CE1 4.3Å; F213-F383 AromaticContact CE1-CD1 3.67Å; F213-F383 HydrophobicContact CE1-CD1 3.67Å; F213-F383 AromaticContact CE1-CE1 3.99Å; F213-F383 HydrophobicContact CE1-CE1 3.99Å; A379-F383 VanDerWaalsContact O-CD2 3.23Å; A379-F383 WeakPolarHBondContact O-CD2 3.44Å; A379-F383 PolarHBondContact O-N 2.91Å; S381-F383 PolarHBondContact O-N 3.47Å; F383-L385 PolarHBondContact O-N 3.32Å; F383-A386 HydrophobicContact CB-CB 4.02Å; F383-A386 HydrophobicContact CD1-CB 4.03Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.27Å; F383-I390 HydrophobicContact CD1-CG2 4.05Å; F383-I390 HydrophobicContact CE1-CG2 4.46Å; F383-Q391 PolarHBondContact O-NE2 3.44Å
384Q81.9Confident76.2Confident140 Ų14090.9 Ų90.965%0.65448%0.483SS*.G310 helixtrans-62.6-29.6178.6-71.3-176.83.900113.5S381 Q391S381-Q384 WeakPolarHBondContact O-CG 3.49Å; S381-Q384 PolarHBondContact O-N 2.95Å; Q384-Q391 PolarHBondContact O-NE2 2.89Å
385L86.5Confident77.9Confident159 Ų15986 Ų8683%0.83246%0.456SS*.G310 helixtrans-951175.4-62.6177.5000113F213 F383F213-L385 HydrophobicContact CE2-CB 4.31Å; F383-L385 PolarHBondContact O-N 3.32Å
386A88.4Confident79.9Confident6 Ų688.4 Ų88.45%0.0545%0.449CS..SBendtrans-68.4148.9-17900000111.8F213 F383 I390 Q391F213-A386 HydrophobicContact CD1-CB 4.04Å; F213-A386 HydrophobicContact CD2-CB 4.29Å; F213-A386 HydrophobicContact CE1-CB 3.79Å; F213-A386 VanDerWaalsContact CE2-CA 3.49Å; F213-A386 HydrophobicContact CE2-CB 4.04Å; F213-A386 HydrophobicContact CG-CB 4.29Å; F213-A386 HydrophobicContact CZ-CB 3.79Å; F383-A386 HydrophobicContact CB-CB 4.02Å; F383-A386 HydrophobicContact CD1-CB 4.03Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.27Å; A386-I390 HydrophobicContact CB-CB 4.03Å; A386-I390 HydrophobicContact CB-CD1 4.26Å; A386-I390 HydrophobicContact CB-CG2 4.1Å; A386-Q391 HydrophobicContact CB-CG 4.19Å; A386-Q391 VanDerWaalsContact O-CD 3.29Å; A386-Q391 PolarHBondContact O-NE2 3.48Å
387P90.8Very high81.8Confident57 Ų5786.6 Ų86.637%0.3744%0.437SS..  trans-52.2150.8170.8-29.135.5000113.3I389 I390 Q391P387-I389 HydrophobicContact CB-CG2 4.06Å; P387-I389 PolarHBondContact O-N 3.32Å; P387-I389 VanDerWaalsContact O-N 3.1Å; P387-I390 HydrophobicContact CG-CD1 4.5Å; P387-I390 WeakPolarHBondContact O-CB 3.21Å; P387-I390 PolarHBondContact O-N 2.88Å; P387-Q391 PolarHBondContact O-N 3.24Å
388S88.9Confident83.7Confident72 Ų7278.7 Ų78.750%0.50340%0.399SS..Hα-helixtrans-60.1-26.6-176.368.50000114.4I390 Q391 R392S388-I390 PolarHBondContact O-N 3.34Å; S388-Q391 PolarHBondContact O-N 3.02Å; S388-R392 WeakPolarHBondContact O-CB 3.41Å; S388-R392 WeakPolarHBondContact O-CD 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.24Å; S388-R392 PolarHBondContact O-N 3.49Å; S388-R392 VanDerWaalsContact O-N 3.08Å
389I91.4Very high85.5Confident40 Ų4079.8 Ų79.821%0.20540%0.395CS..Hα-helixtrans-65-27174-169.2169000112.4Q205 L206 A209 P387 Q393Q205-I389 HydrophobicContact CB-CD1 3.54Å; L206-I389 HydrophobicContact CD1-CG1 4.43Å; L206-I389 WeakPolarHBondContact CD1-O 3.48Å; A209-I389 HydrophobicContact CB-CG2 3.35Å; P387-I389 HydrophobicContact CB-CG2 4.06Å; P387-I389 PolarHBondContact O-N 3.32Å; P387-I389 VanDerWaalsContact O-N 3.1Å; I389-Q393 WeakPolarHBondContact O-CG 3.39Å; I389-Q393 PolarHBondContact O-NE2 3.35Å
390I91.1Very high87.2Confident19 Ų1983.4 Ų83.410%0.09741%0.405CS..Hα-helixtrans-85.2-44.9174.8-55.1-177.7000110L206 A209 F210 F213 F383 A386 P387 S388 R392 Q393L206-I390 HydrophobicContact CD1-CG1 4.35Å; A209-I390 HydrophobicContact CB-CD1 4.39Å; A209-I390 HydrophobicContact CB-CG1 4.29Å; F210-I390 HydrophobicContact CB-CD1 4.19Å; F210-I390 HydrophobicContact CD2-CD1 3.91Å; F210-I390 HydrophobicContact CD2-CG1 4.42Å; F210-I390 HydrophobicContact CD2-CG2 4.07Å; F210-I390 HydrophobicContact CE2-CG2 4.3Å; F210-I390 HydrophobicContact CG-CD1 4.42Å; F213-I390 HydrophobicContact CB-CD1 3.95Å; F213-I390 HydrophobicContact CD1-CD1 4.27Å; F213-I390 HydrophobicContact CG-CD1 4.27Å; F383-I390 HydrophobicContact CD1-CG2 4.05Å; F383-I390 HydrophobicContact CE1-CG2 4.46Å; A386-I390 HydrophobicContact CB-CB 4.03Å; A386-I390 HydrophobicContact CB-CD1 4.26Å; A386-I390 HydrophobicContact CB-CG2 4.1Å; P387-I390 HydrophobicContact CG-CD1 4.5Å; P387-I390 WeakPolarHBondContact O-CB 3.21Å; P387-I390 PolarHBondContact O-N 2.88Å; S388-I390 PolarHBondContact O-N 3.34Å; I390-R392 VanDerWaalsContact C-N 3.34Å; I390-R392 PolarHBondContact O-N 2.9Å; I390-Q393 WeakPolarHBondContact O-CG 3.48Å; I390-Q393 PolarHBondContact O-N 3.24Å
391Q87.4Confident88.8Confident101 Ų10176.1 Ų76.147%0.47237%0.37SS..Hα-helixtrans-67.2-30.1-174.8-66.4-175.6-8.800114.4F383 Q384 A386 P387 S388 Q393F383-Q391 PolarHBondContact O-NE2 3.44Å; Q384-Q391 PolarHBondContact O-NE2 2.89Å; A386-Q391 HydrophobicContact CB-CG 4.19Å; A386-Q391 VanDerWaalsContact O-CD 3.29Å; A386-Q391 PolarHBondContact O-NE2 3.48Å; P387-Q391 PolarHBondContact O-N 3.24Å; S388-Q391 PolarHBondContact O-N 3.02Å; Q391-Q393 VanDerWaalsContact C-N 3.27Å; Q391-Q393 PolarHBondContact O-N 2.91Å
392R87.2Confident90.3Very high202 Ų20274 Ų7476%0.76235%0.354SS*.THydrogen-bonded Turntrans-83.3-1.1-175.6-69.7173.4-177.9-112.81.2113.8S388 I390S388-R392 WeakPolarHBondContact O-CB 3.41Å; S388-R392 WeakPolarHBondContact O-CD 3.24Å; S388-R392 WeakPolarHBondContact O-CG 3.24Å; S388-R392 PolarHBondContact O-N 3.49Å; S388-R392 VanDerWaalsContact O-N 3.08Å; I390-R392 VanDerWaalsContact C-N 3.34Å; I390-R392 PolarHBondContact O-N 2.9Å
393Q90.3Very high91.6Very high29 Ų2971 Ų7114%0.13635%0.346CS..  trans-73.5138.2-175.4-62.3-58.5-28.200111.7L206 M371 I389 I390 Q391 H397 V398L206-Q393 HydrophobicContact CD1-CG 3.87Å; L206-Q393 HydrophobicContact CD2-CG 4.24Å; M371-Q393 HydrophobicContact CE-CB 4.35Å; M371-Q393 WeakPolarHBondContact CE-O 3.43Å; I389-Q393 WeakPolarHBondContact O-CG 3.39Å; I389-Q393 PolarHBondContact O-NE2 3.35Å; I390-Q393 WeakPolarHBondContact O-CG 3.48Å; I390-Q393 PolarHBondContact O-N 3.24Å; Q391-Q393 VanDerWaalsContact C-N 3.27Å; Q391-Q393 PolarHBondContact O-N 2.91Å; Q393-H397 PolarHBondContact OE1-CD2 3.4Å; Q393-V398 HydrophobicContact CB-CG2 3.95Å; Q393-V398 HydrophobicContact CG-CG2 4.42Å
394T91.4Very high92.3Very high72 Ų7271.2 Ų71.244%0.44235%0.348SS..  trans-111.8155.1169.363.90000109.3M371 E396 H397 V398M371-T394 VanDerWaalsContact CE-C 3.47Å; T394-E396 PolarHBondContact O-N 3.18Å; T394-H397 PolarHBondContact O-N 3.33Å; T394-H397 VanDerWaalsContact OG1-CB 3.27Å; T394-H397 WeakPolarHBondContact OG1-CB 3.23Å; T394-H397 PolarHBondContact OG1-N 2.93Å; T394-V398 WeakPolarHBondContact O-CG2 3.4Å; T394-V398 PolarHBondContact O-N 3.15Å
395R91.8Very high93Very high84 Ų8464.6 Ų64.632%0.31732%0.316SS..Hα-helixtrans-60.4-38.6-179.5-176.2-179.5177.5-163.4-4.3111.6M371 A372 R399M371-R395 HydrophobicContact CB-CB 4.13Å; M371-R395 HydrophobicContact CB-CG 4.22Å; A372-R395 VanDerWaalsContact CB-NH2 3.28Å; R395-R399 WeakPolarHBondContact O-CB 3.27Å; R395-R399 PolarHBondContact O-N 3.38Å
396E94.5Very high93.5Very high120 Ų12060.9 Ų60.956%0.56130%0.295SS*.Hα-helixtrans-62.1-45.2177.5-69.760.8-129.300111.1T394 R399 E400T394-E396 PolarHBondContact O-N 3.18Å; E396-R399 WeakPolarHBondContact O-CB 2.99Å; E396-R399 PolarHBondContact O-N 2.92Å; E396-R399 IonicContact OE1-NH1 3.61Å; E396-E400 PolarHBondContact O-N 3.5Å
397H95.6Very high93.9Very high56 Ų5666.7 Ų66.726%0.25932%0.321SS..Hα-helixtrans-65.9-46.9178.6-171.681000112.2E202 Q393 T394 R399 E400 L401E202-H397 IonicContact OE1-CD2 2.64Å; E202-H397 IonicContact OE1-CE1 3.58Å; E202-H397 IonicContact OE1-NE2 2.86Å; E202-H397 PolarHBondContact OE1-NE2 3.24Å; E202-H397 IonicContact OE2-CE1 3.55Å; E202-H397 IonicContact OE2-NE2 2.78Å; E202-H397 PolarHBondContact OE2-NE2 3.25Å; Q393-H397 PolarHBondContact OE1-CD2 3.4Å; T394-H397 PolarHBondContact O-N 3.33Å; T394-H397 VanDerWaalsContact OG1-CB 3.27Å; T394-H397 WeakPolarHBondContact OG1-CB 3.23Å; T394-H397 PolarHBondContact OG1-N 2.93Å; H397-R399 PolarHBondContact O-N 3.01Å; H397-E400 WeakPolarHBondContact O-CA 3.5Å; H397-E400 WeakPolarHBondContact O-CB 3.25Å; H397-E400 PolarHBondContact O-N 2.87Å; H397-L401 WeakPolarHBondContact O-CG 3.43Å; H397-L401 PolarHBondContact O-N 3.48Å
398V96.1Very high94.1Very high2 Ų264.4 Ų64.41%0.01231%0.306CS..Hα-helixtrans-62.6-32.4177.2-177.20000111.2L364 R367 V368 M371 Q393 T394 L401 L402L364-V398 HydrophobicContact CD2-CG1 3.82Å; R367-V398 HydrophobicContact CB-CG1 3.85Å; V368-V398 HydrophobicContact CG2-CB 4.14Å; V368-V398 HydrophobicContact CG2-CG1 3.74Å; M371-V398 HydrophobicContact SD-CB 4.45Å; M371-V398 HydrophobicContact SD-CG2 3.92Å; Q393-V398 HydrophobicContact CB-CG2 3.95Å; Q393-V398 HydrophobicContact CG-CG2 4.42Å; T394-V398 WeakPolarHBondContact O-CG2 3.4Å; T394-V398 PolarHBondContact O-N 3.15Å; V398-L401 WeakPolarHBondContact O-CB 3.3Å; V398-L401 PolarHBondContact O-N 3.45Å; V398-L402 WeakPolarHBondContact O-CB 3.31Å; V398-L402 PolarHBondContact O-N 2.98Å
399R97.1Very high94.4Very high97 Ų9761.4 Ų61.437%0.36628%0.284SS..Hα-helixtrans-66.9-38.2172.6-172.2-174.2-66.4109-4.7112.2V368 R395 E396 H397 L402 S403V368-R399 HydrophobicContact CG2-CB 4.27Å; R395-R399 WeakPolarHBondContact O-CB 3.27Å; R395-R399 PolarHBondContact O-N 3.38Å; E396-R399 WeakPolarHBondContact O-CB 2.99Å; E396-R399 PolarHBondContact O-N 2.92Å; E396-R399 IonicContact OE1-NH1 3.61Å; H397-R399 PolarHBondContact O-N 3.01Å; R399-L402 PolarHBondContact O-N 3.37Å; R399-S403 PolarHBondContact O-N 2.72Å
400E97.2Very high94.5Very high112 Ų11261.3 Ų61.352%0.52329%0.293SS..Hα-helixtrans-64.6-46.4173.3-175.5172.4-17600111E396 H397 L402 S403 Q404E396-E400 PolarHBondContact O-N 3.5Å; H397-E400 WeakPolarHBondContact O-CA 3.5Å; H397-E400 WeakPolarHBondContact O-CB 3.25Å; H397-E400 PolarHBondContact O-N 2.87Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.46Å; E400-S403 PolarHBondContact O-N 3.3Å; E400-S403 VanDerWaalsContact O-N 3.12Å; E400-S403 PolarHBondContact O-OG 3.25Å; E400-Q404 PolarHBondContact O-N 3.3Å
401L97.1Very high94.6Very high2 Ų263.2 Ų63.21%0.0130%0.299CS..Hα-helixtrans-55.3-45.3173.7-69-174.6000112.1E202 Q203 L206 L364 H397 V398 Q404 V405E202-L401 HydrophobicContact CB-CD2 4.21Å; E202-L401 HydrophobicContact CG-CD1 4.32Å; E202-L401 HydrophobicContact CG-CD2 4.19Å; Q203-L401 HydrophobicContact CG-CB 3.83Å; Q203-L401 HydrophobicContact CG-CD1 4.5Å; Q203-L401 HydrophobicContact CG-CD2 3.95Å; Q203-L401 HydrophobicContact CG-CG 4.29Å; Q203-L401 PolarHBondContact NE2-O 3.48Å; L206-L401 HydrophobicContact CD2-CD1 4Å; L364-L401 HydrophobicContact CD1-CB 4.31Å; L364-L401 HydrophobicContact CD2-CB 4.32Å; H397-L401 WeakPolarHBondContact O-CG 3.43Å; H397-L401 PolarHBondContact O-N 3.48Å; V398-L401 WeakPolarHBondContact O-CB 3.3Å; V398-L401 PolarHBondContact O-N 3.45Å; L401-Q404 PolarHBondContact O-N 2.99Å; L401-V405 PolarHBondContact O-N 2.98Å
402L97.9Very high94.9Very high16 Ų1658.5 Ų58.58%0.08428%0.276CS..Hα-helixtrans-60.3-45.4175.5176.360.2000111.5E361 L364 T365 V368 V398 R399 E400 Q404 V405 Q406E361-L402 HydrophobicContact CB-CD1 4.49Å; E361-L402 HydrophobicContact CG-CD1 3.76Å; L364-L402 HydrophobicContact CB-CB 3.99Å; L364-L402 HydrophobicContact CB-CD1 3.87Å; L364-L402 HydrophobicContact CB-CG 4.44Å; L364-L402 HydrophobicContact CD1-CB 4.47Å; T365-L402 WeakPolarHBondContact OG1-CD1 3.26Å; V368-L402 HydrophobicContact CG2-CD2 4.33Å; V398-L402 WeakPolarHBondContact O-CB 3.31Å; V398-L402 PolarHBondContact O-N 2.98Å; R399-L402 PolarHBondContact O-N 3.37Å; E400-L402 VanDerWaalsContact C-N 3.31Å; E400-L402 PolarHBondContact O-N 3.46Å; L402-Q404 VanDerWaalsContact C-N 3.27Å; L402-Q404 PolarHBondContact O-N 3Å; L402-V405 PolarHBondContact O-N 2.76Å; L402-V405 VanDerWaalsContact O-N 3.15Å; L402-Q406 HydrophobicContact CD1-CG 3.98Å; L402-Q406 HydrophobicContact CG-CG 4.27Å; L402-Q406 WeakPolarHBondContact O-CG 3.44Å; L402-Q406 PolarHBondContact O-N 2.54Å
403S97.8Very high95.2Very high56 Ų5651 Ų5139%0.39225%0.253SS..Hα-helixtrans-60.5-35.8-178.272.80000113R399 E400 Q406 E407R399-S403 PolarHBondContact O-N 2.72Å; E400-S403 PolarHBondContact O-N 3.3Å; E400-S403 VanDerWaalsContact O-N 3.12Å; E400-S403 PolarHBondContact O-OG 3.25Å; S403-Q406 PolarHBondContact O-N 2.96Å; S403-E407 WeakPolarHBondContact O-CB 3.47Å; S403-E407 PolarHBondContact O-N 3.32Å
404Q96.8Very high95.2Very high54 Ų5452 Ų5225%0.25226%0.264SS..Hα-helixtrans-68.2-40.2176.7-64.9176.130.800112.1L200 Q203 E400 L401 L402 L408L200-Q404 HydrophobicContact CD2-CB 4.38Å; Q203-Q404 VanDerWaalsContact NE2-OE1 3.07Å; E400-Q404 PolarHBondContact O-N 3.3Å; L401-Q404 PolarHBondContact O-N 2.99Å; L402-Q404 VanDerWaalsContact C-N 3.27Å; L402-Q404 PolarHBondContact O-N 3Å; Q404-L408 PolarHBondContact O-N 2.84Å
405V97.5Very high95Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-65.2-44.6175.4176.80000110.2L200 Q203 L357 L360 E361 L364 L401 L402 E407 L408 L409L200-V405 HydrophobicContact CD2-CG2 3.88Å; Q203-V405 HydrophobicContact CB-CG2 4.44Å; Q203-V405 HydrophobicContact CG-CG2 4.01Å; L357-V405 HydrophobicContact CD2-CG1 4.17Å; L357-V405 WeakPolarHBondContact O-CG1 3.26Å; L360-V405 HydrophobicContact CB-CG1 4.42Å; L360-V405 HydrophobicContact CD2-CG2 3.79Å; L360-V405 HydrophobicContact CG-CG2 4.06Å; E361-V405 HydrophobicContact CB-CG1 4.07Å; L364-V405 HydrophobicContact CD1-CG2 3.85Å; L401-V405 PolarHBondContact O-N 2.98Å; L402-V405 PolarHBondContact O-N 2.76Å; L402-V405 VanDerWaalsContact O-N 3.15Å; V405-E407 PolarHBondContact O-N 3.06Å; V405-L408 PolarHBondContact O-N 3.37Å; V405-L409 VanDerWaalsContact O-CB 3.29Å; V405-L409 WeakPolarHBondContact O-CB 3.47Å; V405-L409 PolarHBondContact O-N 2.9Å
406Q97.4Very high94.7Very high82 Ų8254.4 Ų54.438%0.38327%0.271SS..Hα-helixtrans-63.7-38.9178.5-72.4-176.7-35.600113E361 L402 S403 G410E361-Q406 HydrophobicContact CG-CG 4Å; E361-Q406 WeakPolarHBondContact OE1-CG 3.3Å; E361-Q406 PolarHBondContact OE1-NE2 3.45Å; L402-Q406 HydrophobicContact CD1-CG 3.98Å; L402-Q406 HydrophobicContact CG-CG 4.27Å; L402-Q406 WeakPolarHBondContact O-CG 3.44Å; L402-Q406 PolarHBondContact O-N 2.54Å; S403-Q406 PolarHBondContact O-N 2.96Å; Q406-G410 PolarHBondContact O-N 3.25Å
407E95.9Very high94.5Very high128 Ų12849.1 Ų49.160%0.59825%0.246SC*.Hα-helixtrans-60-48.3174.7-176.6-178.7174.900111S403 V405 G410 R411S403-E407 WeakPolarHBondContact O-CB 3.47Å; S403-E407 PolarHBondContact O-N 3.32Å; V405-E407 PolarHBondContact O-N 3.06Å; E407-G410 PolarHBondContact O-N 3.22Å; E407-R411 WeakPolarHBondContact O-CG 3.5Å; E407-R411 PolarHBondContact O-N 3.45Å
408L94.8Very high94.1Very high9 Ų950.1 Ų50.15%0.04725%0.251CS..Hα-helixtrans-69.7-41.2-177.8-157.4140.8000111.8V193 D196 L200 F353 L357 Q404 V405 R411V193-L408 HydrophobicContact CG1-CD2 3.74Å; V193-L408 HydrophobicContact CG1-CG 4.06Å; D196-L408 HydrophobicContact CB-CD1 3.77Å; L200-L408 HydrophobicContact CD1-CD1 4.3Å; F353-L408 HydrophobicContact CE1-CD2 3.74Å; F353-L408 HydrophobicContact CZ-CD2 3.87Å; L357-L408 HydrophobicContact CD1-CD2 3.51Å; L357-L408 HydrophobicContact CD2-CD2 4.11Å; L357-L408 HydrophobicContact CG-CD2 4.46Å; Q404-L408 PolarHBondContact O-N 2.84Å; V405-L408 PolarHBondContact O-N 3.37Å; L408-R411 PolarHBondContact O-N 3.17Å
409L95.3Very high93.7Very high9 Ų950.5 Ų50.55%0.04725%0.253CS..Hα-helixtrans-62.2-45.9174.1-176.465.8000111.4I354 L357 M358 E361 V405 R411 L412 T413I354-L409 HydrophobicContact CG2-CD1 4Å; L357-L409 HydrophobicContact CB-CD1 3.96Å; L357-L409 HydrophobicContact CD1-CD1 4.42Å; M358-L409 HydrophobicContact CE-CD1 4.26Å; M358-L409 HydrophobicContact CG-CD1 3.91Å; M358-L409 HydrophobicContact CG-CD2 3.94Å; E361-L409 WeakPolarHBondContact OE2-CD2 3.17Å; V405-L409 VanDerWaalsContact O-CB 3.29Å; V405-L409 WeakPolarHBondContact O-CB 3.47Å; V405-L409 PolarHBondContact O-N 2.9Å; L409-R411 PolarHBondContact O-N 3.33Å; L409-L412 PolarHBondContact O-N 3.16Å; L409-T413 HydrophobicContact CD1-CG2 3.63Å; L409-T413 HydrophobicContact CG-CG2 4.01Å; L409-T413 WeakPolarHBondContact O-CG2 3.07Å; L409-T413 PolarHBondContact O-N 2.98Å; L409-T413 PolarHBondContact O-OG1 3.28Å
410G94.7Very high93.2Very high37 Ų3746.7 Ų46.738%0.38124%0.239SC..Hα-helixtrans-60.7-31.3-179.800000113.6Q406 E407 L412 S414Q406-G410 PolarHBondContact O-N 3.25Å; E407-G410 PolarHBondContact O-N 3.22Å; G410-L412 VanDerWaalsContact C-N 3.32Å; G410-L412 PolarHBondContact O-N 3.4Å; G410-S414 PolarHBondContact O-N 3.41Å
411R93.8Very high92.8Very high60 Ų6042.1 Ų42.123%0.22622%0.218CC..Hα-helixtrans-66.6-31.8173.6-70.8172.964.41714.1112.9E192 V193 D196 E407 L408 L409 M417E192-R411 VanDerWaalsContact CD-NH2 3.34Å; E192-R411 IonicContact OE2-CZ 4Å; E192-R411 IonicContact OE2-NH2 3.35Å; E192-R411 PolarHBondContact OE2-NH2 2.9Å; V193-R411 HydrophobicContact CG2-CB 4.27Å; D196-R411 IonicContact OD2-CZ 2.76Å; D196-R411 IonicContact OD2-NH1 3.79Å; D196-R411 PolarHBondContact OD2-NH1 3.08Å; E407-R411 WeakPolarHBondContact O-CG 3.5Å; E407-R411 PolarHBondContact O-N 3.45Å; L408-R411 PolarHBondContact O-N 3.17Å; L409-R411 PolarHBondContact O-N 3.33Å; R411-M417 WeakPolarHBondContact O-CG 3.5Å
412L93.3Very high92.4Very high1 Ų145.7 Ų45.71%0.00524%0.235CC..Hα-helixtrans-91.7-27.6-178.8-69.2176.8000113.6L190 V193 F353 I354 L357 L409 G410 M417 F421L190-L412 HydrophobicContact CD2-CD2 3.81Å; V193-L412 HydrophobicContact CG1-CD1 3.94Å; V193-L412 HydrophobicContact CG1-CD2 4.14Å; V193-L412 HydrophobicContact CG1-CG 4.07Å; V193-L412 HydrophobicContact CG2-CD2 4.39Å; F353-L412 HydrophobicContact CD1-CD1 3.64Å; F353-L412 HydrophobicContact CE1-CD1 3.54Å; I354-L412 HydrophobicContact CD1-CB 4.18Å; I354-L412 HydrophobicContact CG1-CB 4.19Å; I354-L412 HydrophobicContact CG1-CD1 4.08Å; L357-L412 HydrophobicContact CD1-CD1 4.23Å; L409-L412 PolarHBondContact O-N 3.16Å; G410-L412 VanDerWaalsContact C-N 3.32Å; G410-L412 PolarHBondContact O-N 3.4Å; L412-M417 HydrophobicContact CD2-CE 4.01Å; L412-F421 HydrophobicContact CD2-CZ 4.17Å
413T92.9Very high91.8Very high44 Ų4445.4 Ų45.427%0.2723%0.234SC..Hα-helixtrans-102.5-3.4-172.560.30000114.4I354 M358 L409 Q418I354-T413 HydrophobicContact CG2-CG2 4.01Å; M358-T413 HydrophobicContact CE-CG2 4.02Å; L409-T413 HydrophobicContact CD1-CG2 3.63Å; L409-T413 HydrophobicContact CG-CG2 4.01Å; L409-T413 WeakPolarHBondContact O-CG2 3.07Å; L409-T413 PolarHBondContact O-N 2.98Å; L409-T413 PolarHBondContact O-OG1 3.28Å; T413-Q418 PolarHBondContact O-NE2 2.98Å; T413-Q418 VanDerWaalsContact O-NE2 3.12Å
414S91Very high91.1Very high52 Ų5245.2 Ų45.236%0.36423%0.227SC..SBendtrans-57.7146175.574.40000112G410 R416 M417 Q418G410-S414 PolarHBondContact O-N 3.41Å; S414-R416 PolarHBondContact O-N 3.35Å; S414-M417 WeakPolarHBondContact O-CA 3.28Å; S414-M417 WeakPolarHBondContact O-CB 3.33Å; S414-M417 PolarHBondContact O-N 3.31Å; S414-M417 WeakPolarHBondContact OG-CB 3.47Å; S414-M417 PolarHBondContact OG-N 3.01Å; S414-Q418 PolarHBondContact O-N 2.88Å
415L86.4Confident90.4Very high89 Ų8946.6 Ų46.647%0.46625%0.248SC..Hα-helixtrans-52.5-41.6178.9-177.669.7000112M417 Q418 H419L415-M417 PolarHBondContact O-N 3.49Å; L415-Q418 PolarHBondContact O-N 3.16Å; L415-H419 PolarHBondContact O-CD2 3.19Å; L415-H419 PolarHBondContact O-N 2.94Å
416R85.9Confident89.7Confident117 Ų11748.8 Ų48.844%0.44226%0.263SS..Hα-helixtrans-59.2-46.4175.7-177.1179.3178.5-172.3-1.2111.4S414 H419 L420S414-R416 PolarHBondContact O-N 3.35Å; R416-H419 WeakPolarHBondContact O-CB 3.27Å; R416-H419 PolarHBondContact O-N 3.4Å; R416-L420 WeakPolarHBondContact O-CG 3.42Å; R416-L420 PolarHBondContact O-N 2.9Å
417M89.8Confident88.7Confident8 Ų849.7 Ų49.74%0.03928%0.276CS..Hα-helixtrans-65.8-40.1-179.9-163.766.1146.300112.1L186 V189 L190 R411 L412 S414 L415 H419 L420 F421L186-M417 HydrophobicContact CD1-CE 3.77Å; L186-M417 HydrophobicContact CD1-SD 3.59Å; L186-M417 VanDerWaalsContact CD1-SD 3.59Å; V189-M417 HydrophobicContact CG1-CE 3.91Å; L190-M417 HydrophobicContact CD2-CE 3.46Å; L190-M417 VanDerWaalsContact CD2-CE 3.46Å; L190-M417 HydrophobicContact CG-CE 4.31Å; R411-M417 WeakPolarHBondContact O-CG 3.5Å; L412-M417 HydrophobicContact CD2-CE 4.01Å; S414-M417 WeakPolarHBondContact O-CA 3.28Å; S414-M417 WeakPolarHBondContact O-CB 3.33Å; S414-M417 PolarHBondContact O-N 3.31Å; S414-M417 WeakPolarHBondContact OG-CB 3.47Å; S414-M417 PolarHBondContact OG-N 3.01Å; L415-M417 PolarHBondContact O-N 3.49Å; M417-H419 VanDerWaalsContact C-N 3.31Å; M417-H419 PolarHBondContact O-N 3.03Å; M417-L420 WeakPolarHBondContact O-CB 3.27Å; M417-L420 PolarHBondContact O-N 3.1Å; M417-L420 VanDerWaalsContact O-N 3.1Å; M417-L420 HydrophobicContact SD-CD1 4.1Å; M417-F421 HydrophobicContact CB-CE2 4.46Å; M417-F421 HydrophobicContact CE-CE1 4.38Å; M417-F421 HydrophobicContact CE-CZ 3.88Å; M417-F421 HydrophobicContact CG-CD2 4.23Å; M417-F421 HydrophobicContact CG-CE1 4.44Å; M417-F421 HydrophobicContact CG-CE2 3.49Å; M417-F421 VanDerWaalsContact CG-CE2 3.49Å; M417-F421 HydrophobicContact CG-CZ 3.61Å; M417-F421 VanDerWaalsContact O-CD2 3.25Å; M417-F421 WeakPolarHBondContact O-CD2 3.16Å; M417-F421 WeakPolarHBondContact O-CG 3.19Å; M417-F421 PolarHBondContact O-N 3.19Å; M417-F421 HydrophobicContact SD-CZ 4.15Å
418Q88.2Confident88Confident77 Ų7752.4 Ų52.436%0.3628%0.281SS..Hα-helixtrans-58.4-43.3172.9-65.4177.4-0.100111.7T413 S414 L415 F421 M422T413-Q418 PolarHBondContact O-NE2 2.98Å; T413-Q418 VanDerWaalsContact O-NE2 3.12Å; S414-Q418 PolarHBondContact O-N 2.88Å; L415-Q418 PolarHBondContact O-N 3.16Å; Q418-F421 PolarHBondContact O-N 3.36Å; Q418-M422 WeakPolarHBondContact O-CG 3.24Å; Q418-M422 PolarHBondContact O-N 2.93Å
419H86.1Confident87.5Confident11 Ų1153.2 Ų53.25%0.05128%0.283CS..Hα-helixtrans-62.2-41.4173.6-69-53.7000112.3Y168 L415 R416 M417 F421 M422 I423 Y429Y168-H419 HydrophobicContact CD1-CB 4.06Å; Y168-H419 AromaticContact CD1-CG 3.91Å; Y168-H419 HydrophobicContact CE1-CB 4.12Å; Y168-H419 AromaticContact CE1-CD2 3.86Å; Y168-H419 AromaticContact CE1-CE1 3.89Å; Y168-H419 AromaticContact CE1-CG 3.63Å; Y168-H419 AromaticContact CE1-ND1 3.62Å; L415-H419 PolarHBondContact O-CD2 3.19Å; L415-H419 PolarHBondContact O-N 2.94Å; R416-H419 WeakPolarHBondContact O-CB 3.27Å; R416-H419 PolarHBondContact O-N 3.4Å; M417-H419 VanDerWaalsContact C-N 3.31Å; M417-H419 PolarHBondContact O-N 3.03Å; H419-F421 VanDerWaalsContact C-N 3.33Å; H419-F421 PolarHBondContact O-N 3.11Å; H419-M422 WeakPolarHBondContact ND1-CE 3.39Å; H419-M422 PolarHBondContact O-N 3.3Å; H419-I423 WeakPolarHBondContact O-CD1 3.24Å; H419-I423 WeakPolarHBondContact O-CG1 3.45Å; H419-I423 PolarHBondContact O-N 3.39Å; H419-Y429 PolarHBondContact ND1-OH 3.39Å
420L88.1Confident87Confident16 Ų1653.1 Ų53.18%0.08428%0.283CS..Hα-helixtrans-61.4-40.9176.6-66174.4000112.1L182 L186 R416 M417 I423 Q424L182-L420 HydrophobicContact CB-CD2 3.54Å; L182-L420 HydrophobicContact CD1-CD2 4.33Å; L186-L420 HydrophobicContact CD1-CB 4.19Å; L186-L420 HydrophobicContact CD1-CD1 4.18Å; L186-L420 HydrophobicContact CD2-CB 4.19Å; R416-L420 WeakPolarHBondContact O-CG 3.42Å; R416-L420 PolarHBondContact O-N 2.9Å; M417-L420 WeakPolarHBondContact O-CB 3.27Å; M417-L420 PolarHBondContact O-N 3.1Å; M417-L420 VanDerWaalsContact O-N 3.1Å; M417-L420 HydrophobicContact SD-CD1 4.1Å; L420-I423 HydrophobicContact CD2-CD1 4.39Å; L420-I423 PolarHBondContact O-N 2.98Å; L420-Q424 WeakPolarHBondContact O-CB 3.35Å; L420-Q424 PolarHBondContact O-N 3.48Å
421F88.9Confident86.5Confident17 Ų1756.9 Ų56.98%0.07529%0.291CS..Hα-helixtrans-64.8-40.6174.1-62.7-42.9000112.5L186 L190 R350 L412 M417 Q418 H419 I423 Q424 A425L186-F421 HydrophobicContact CD1-CE1 4.27Å; L186-F421 HydrophobicContact CD2-CD1 4.21Å; L186-F421 HydrophobicContact CD2-CE1 4.39Å; L190-F421 HydrophobicContact CD1-CE1 4.22Å; L190-F421 HydrophobicContact CD2-CE1 4.02Å; L190-F421 HydrophobicContact CD2-CZ 4.05Å; R350-F421 VanDerWaalsContact CD-CE2 3.42Å; L412-F421 HydrophobicContact CD2-CZ 4.17Å; M417-F421 HydrophobicContact CB-CE2 4.46Å; M417-F421 HydrophobicContact CE-CE1 4.38Å; M417-F421 HydrophobicContact CE-CZ 3.88Å; M417-F421 HydrophobicContact CG-CD2 4.23Å; M417-F421 HydrophobicContact CG-CE1 4.44Å; M417-F421 HydrophobicContact CG-CE2 3.49Å; M417-F421 VanDerWaalsContact CG-CE2 3.49Å; M417-F421 HydrophobicContact CG-CZ 3.61Å; M417-F421 VanDerWaalsContact O-CD2 3.25Å; M417-F421 WeakPolarHBondContact O-CD2 3.16Å; M417-F421 WeakPolarHBondContact O-CG 3.19Å; M417-F421 PolarHBondContact O-N 3.19Å; M417-F421 HydrophobicContact SD-CZ 4.15Å; Q418-F421 PolarHBondContact O-N 3.36Å; H419-F421 VanDerWaalsContact C-N 3.33Å; H419-F421 PolarHBondContact O-N 3.11Å; F421-I423 VanDerWaalsContact C-N 3.32Å; F421-I423 PolarHBondContact O-N 2.86Å; F421-Q424 PolarHBondContact O-N 3.5Å; F421-A425 VanDerWaalsContact O-CB 3.27Å; F421-A425 WeakPolarHBondContact O-CB 3.26Å; F421-A425 PolarHBondContact O-N 3.36Å
422M87.2Confident86.2Confident77 Ų7762.1 Ų62.138%0.37931%0.31SS..Hα-helixtrans-63.8-38.9174.6-73.8-167.3-76.100112.3Q418 H419 S426 Y429Q418-M422 WeakPolarHBondContact O-CG 3.24Å; Q418-M422 PolarHBondContact O-N 2.93Å; H419-M422 WeakPolarHBondContact ND1-CE 3.39Å; H419-M422 PolarHBondContact O-N 3.3Å; M422-S426 PolarHBondContact O-N 2.96Å; M422-S426 VanDerWaalsContact O-N 3.12Å; M422-Y429 HydrophobicContact CB-CD1 4.04Å; M422-Y429 HydrophobicContact CB-CD2 4.33Å; M422-Y429 HydrophobicContact CB-CE1 3.96Å; M422-Y429 HydrophobicContact CB-CE2 4.26Å; M422-Y429 HydrophobicContact CB-CG 4.22Å; M422-Y429 HydrophobicContact CE-CE1 4.49Å; M422-Y429 HydrophobicContact CE-CE2 4.17Å; M422-Y429 VanDerWaalsContact CE-OH 3.3Å; M422-Y429 WeakPolarHBondContact CE-OH 3.25Å; M422-Y429 HydrophobicContact SD-CE2 3.9Å
423I85.1Confident85.9Confident10 Ų1062.3 Ų62.35%0.05131%0.312CS..Hα-helixtrans-65.5-47.2176.2-66.6161.1000110.4L179 V183 H419 L420 F421 A425 S426 Y429 V430L179-I423 HydrophobicContact CB-CD1 4.42Å; L179-I423 HydrophobicContact CD2-CD1 3.9Å; V183-I423 HydrophobicContact CG2-CB 3.92Å; V183-I423 HydrophobicContact CG2-CG2 3.16Å; H419-I423 WeakPolarHBondContact O-CD1 3.24Å; H419-I423 WeakPolarHBondContact O-CG1 3.45Å; H419-I423 PolarHBondContact O-N 3.39Å; L420-I423 HydrophobicContact CD2-CD1 4.39Å; L420-I423 PolarHBondContact O-N 2.98Å; F421-I423 VanDerWaalsContact C-N 3.32Å; F421-I423 PolarHBondContact O-N 2.86Å; I423-A425 VanDerWaalsContact C-N 3.3Å; I423-A425 PolarHBondContact O-N 2.84Å; I423-S426 CarbonylContact O-C 3.57Å; I423-S426 PolarHBondContact O-N 2.96Å; I423-Y429 HydrophobicContact CB-CD1 4.4Å; I423-Y429 HydrophobicContact CG1-CD1 3.53Å; I423-Y429 HydrophobicContact CG1-CE1 3.79Å; I423-V430 HydrophobicContact CB-CG2 4.41Å; I423-V430 HydrophobicContact CG1-CG2 4.42Å; I423-V430 HydrophobicContact CG2-CG2 3.41Å; I423-V430 VanDerWaalsContact CG2-CG2 3.41Å
424Q84.2Confident85.7Confident51 Ų5160.3 Ų60.324%0.23830%0.299CS..Hα-helixtrans-61.2-40.2178.8-17518023.300111.6V183 L186 E345 L420 F421V183-Q424 HydrophobicContact CG1-CB 4.34Å; L186-Q424 HydrophobicContact CD2-CB 4.25Å; L186-Q424 VanDerWaalsContact CD2-OE1 3.25Å; E345-Q424 PolarHBondContact OE1-NE2 3.08Å; L420-Q424 WeakPolarHBondContact O-CB 3.35Å; L420-Q424 PolarHBondContact O-N 3.48Å; F421-Q424 PolarHBondContact O-N 3.5Å
425A82.9Confident85.7Confident84 Ų8464.3 Ų64.369%0.69431%0.312SS*.Hα-helixtrans-73.2-25.1-179.400000113.6F421 I423F421-A425 VanDerWaalsContact O-CB 3.27Å; F421-A425 WeakPolarHBondContact O-CB 3.26Å; F421-A425 PolarHBondContact O-N 3.36Å; I423-A425 VanDerWaalsContact C-N 3.3Å; I423-A425 PolarHBondContact O-N 2.84Å
426S81.9Confident85.8Confident45 Ų4562.4 Ų62.432%0.31530%0.302SS..  trans-149112.6-175.9-166.20000113.8M422 I423 R428 Y429M422-S426 PolarHBondContact O-N 2.96Å; M422-S426 VanDerWaalsContact O-N 3.12Å; I423-S426 CarbonylContact O-C 3.57Å; I423-S426 PolarHBondContact O-N 2.96Å; S426-R428 PolarHBondContact O-N 3.23Å; S426-Y429 VanDerWaalsContact O-CB 3.23Å; S426-Y429 WeakPolarHBondContact O-CB 3.37Å; S426-Y429 PolarHBondContact O-N 3.28Å
427P76.9Confident86Confident101 Ų10156.9 Ų56.966%0.65628%0.281SS*.Hα-helixtrans-57.1-33.5171.2-26.134.7000113.4Y429 V430 E431P427-Y429 PolarHBondContact O-N 2.89Å; P427-V430 WeakPolarHBondContact O-CB 3.35Å; P427-V430 PolarHBondContact O-N 3.4Å; P427-E431 PolarHBondContact O-N 3.12Å
428R81.6Confident86.1Confident186 Ų18662.8 Ų62.870%0.70230%0.303SS*.Hα-helixtrans-62.2-24.5176.6-69.5-175.2173.9180-1113.1S426 R432S426-R428 PolarHBondContact O-N 3.23Å; R428-R432 WeakPolarHBondContact O-CB 3.45Å; R428-R432 PolarHBondContact O-N 3.11Å
429Y83.9Confident86.2Confident25 Ų2564.4 Ų64.410%0.09831%0.31CS..Hα-helixtrans-67.1-39.5175.1-175-99.3000111H419 M422 I423 S426 P427 E431 R432 V433H419-Y429 PolarHBondContact ND1-OH 3.39Å; M422-Y429 HydrophobicContact CB-CD1 4.04Å; M422-Y429 HydrophobicContact CB-CD2 4.33Å; M422-Y429 HydrophobicContact CB-CE1 3.96Å; M422-Y429 HydrophobicContact CB-CE2 4.26Å; M422-Y429 HydrophobicContact CB-CG 4.22Å; M422-Y429 HydrophobicContact CE-CE1 4.49Å; M422-Y429 HydrophobicContact CE-CE2 4.17Å; M422-Y429 VanDerWaalsContact CE-OH 3.3Å; M422-Y429 WeakPolarHBondContact CE-OH 3.25Å; M422-Y429 HydrophobicContact SD-CE2 3.9Å; I423-Y429 HydrophobicContact CB-CD1 4.4Å; I423-Y429 HydrophobicContact CG1-CD1 3.53Å; I423-Y429 HydrophobicContact CG1-CE1 3.79Å; S426-Y429 VanDerWaalsContact O-CB 3.23Å; S426-Y429 WeakPolarHBondContact O-CB 3.37Å; S426-Y429 PolarHBondContact O-N 3.28Å; P427-Y429 PolarHBondContact O-N 2.89Å; Y429-E431 PolarHBondContact O-N 3.13Å; Y429-R432 PolarHBondContact O-N 2.84Å; Y429-V433 HydrophobicContact CD1-CG2 4.03Å; Y429-V433 HydrophobicContact CD2-CG2 4.48Å; Y429-V433 HydrophobicContact CE1-CG2 3.62Å; Y429-V433 HydrophobicContact CE2-CG2 4.11Å; Y429-V433 HydrophobicContact CG-CG2 4.44Å; Y429-V433 WeakPolarHBondContact O-CB 3.32Å; Y429-V433 WeakPolarHBondContact O-CG2 3.39Å; Y429-V433 PolarHBondContact O-N 3.27Å
430V84.3Confident86.4Confident7 Ų766.4 Ų66.44%0.04232%0.319CS..Hα-helixtrans-60.7-46.6175.2-176.90000110.9Q176 L179 I423 P427 V433 S434Q176-V430 HydrophobicContact CG-CG1 4.04Å; L179-V430 HydrophobicContact CB-CG1 4.24Å; L179-V430 HydrophobicContact CD1-CG1 4.25Å; I423-V430 HydrophobicContact CB-CG2 4.41Å; I423-V430 HydrophobicContact CG1-CG2 4.42Å; I423-V430 HydrophobicContact CG2-CG2 3.41Å; I423-V430 VanDerWaalsContact CG2-CG2 3.41Å; P427-V430 WeakPolarHBondContact O-CB 3.35Å; P427-V430 PolarHBondContact O-N 3.4Å; V430-V433 PolarHBondContact O-N 2.79Å; V430-S434 WeakPolarHBondContact O-CB 3.28Å; V430-S434 PolarHBondContact O-N 3.37Å; V430-S434 PolarHBondContact O-OG 3.02Å
431E84.6Confident86.6Confident117 Ų11768.7 Ų68.755%0.54733%0.33SS..Hα-helixtrans-59.2-49.3178.2-66.6176.3167.800110.8P427 Y429 V433 S434 E435P427-E431 PolarHBondContact O-N 3.12Å; Y429-E431 PolarHBondContact O-N 3.13Å; E431-V433 PolarHBondContact O-N 3.16Å; E431-S434 PolarHBondContact O-N 3.49Å; E431-E435 WeakPolarHBondContact O-CB 3.49Å; E431-E435 PolarHBondContact O-N 2.77Å
432R87.7Confident86.8Confident170 Ų17072.5 Ų72.564%0.64235%0.347SS*.Hα-helixtrans-61.1-46.3179.8-171.7-173.2-58.9164.22.7112.6R428 Y429 S434 E435 M436R428-R432 WeakPolarHBondContact O-CB 3.45Å; R428-R432 PolarHBondContact O-N 3.11Å; Y429-R432 PolarHBondContact O-N 2.84Å; R432-S434 VanDerWaalsContact C-N 3.34Å; R432-E435 PolarHBondContact O-N 2.69Å; R432-M436 VanDerWaalsContact O-CB 3.28Å; R432-M436 WeakPolarHBondContact O-CB 3.19Å; R432-M436 PolarHBondContact O-N 2.91Å
433V87.3Confident87Confident5 Ų572.9 Ų72.93%0.0335%0.348CS..Hα-helixtrans-65.4-41.7178.3172.70000110.4Y168 L179 Y429 V430 E431 M436 L437Y168-V433 HydrophobicContact CD2-CG1 4.32Å; Y168-V433 HydrophobicContact CE1-CG1 4.03Å; Y168-V433 HydrophobicContact CE1-CG2 4.37Å; Y168-V433 HydrophobicContact CE2-CG1 3.78Å; L179-V433 HydrophobicContact CD1-CB 4.22Å; L179-V433 HydrophobicContact CD1-CG1 3.82Å; Y429-V433 HydrophobicContact CD1-CG2 4.03Å; Y429-V433 HydrophobicContact CD2-CG2 4.48Å; Y429-V433 HydrophobicContact CE1-CG2 3.62Å; Y429-V433 HydrophobicContact CE2-CG2 4.11Å; Y429-V433 HydrophobicContact CG-CG2 4.44Å; Y429-V433 WeakPolarHBondContact O-CB 3.32Å; Y429-V433 WeakPolarHBondContact O-CG2 3.39Å; Y429-V433 PolarHBondContact O-N 3.27Å; V430-V433 PolarHBondContact O-N 2.79Å; E431-V433 PolarHBondContact O-N 3.16Å; V433-M436 HydrophobicContact CG1-CE 4.5Å; V433-M436 PolarHBondContact O-N 2.84Å; V433-L437 HydrophobicContact CG1-CD1 3.95Å; V433-L437 HydrophobicContact CG1-CG 4.4Å; V433-L437 WeakPolarHBondContact O-CB 3.29Å; V433-L437 WeakPolarHBondContact O-CG 3.4Å; V433-L437 PolarHBondContact O-N 2.95Å
434S88.2Confident87.5Confident1 Ų172.4 Ų72.41%0.00735%0.345CS..Hα-helixtrans-62.1-45.9177.2-60.10000111.7V430 E431 R432 L437 R438V430-S434 WeakPolarHBondContact O-CB 3.28Å; V430-S434 PolarHBondContact O-N 3.37Å; V430-S434 PolarHBondContact O-OG 3.02Å; E431-S434 PolarHBondContact O-N 3.49Å; R432-S434 VanDerWaalsContact C-N 3.34Å; S434-L437 PolarHBondContact O-N 3.16Å; S434-R438 VanDerWaalsContact O-CB 3.31Å; S434-R438 WeakPolarHBondContact O-CB 3.46Å; S434-R438 VanDerWaalsContact O-CG 3.22Å; S434-R438 WeakPolarHBondContact O-CG 3.48Å; S434-R438 PolarHBondContact O-N 3.15Å
435E89.6Confident87.9Confident136 Ų13672.6 Ų72.664%0.63635%0.348SS*.Hα-helixtrans-64.3-46.7177.6-174.1174.8-166.700111.6E431 R432 L437 R438 Q439E431-E435 WeakPolarHBondContact O-CB 3.49Å; E431-E435 PolarHBondContact O-N 2.77Å; R432-E435 PolarHBondContact O-N 2.69Å; E435-L437 PolarHBondContact O-N 3.43Å; E435-R438 PolarHBondContact O-N 2.74Å; E435-Q439 WeakPolarHBondContact O-CB 3.48Å; E435-Q439 PolarHBondContact O-N 3.31Å
436M90.4Very high88.5Confident50 Ų5070.8 Ų70.825%0.24633%0.326CS..Hα-helixtrans-57.5-47176.8178.5-166.864.100111.8R432 V433 Q439 K440R432-M436 VanDerWaalsContact O-CB 3.28Å; R432-M436 WeakPolarHBondContact O-CB 3.19Å; R432-M436 PolarHBondContact O-N 2.91Å; V433-M436 HydrophobicContact CG1-CE 4.5Å; V433-M436 PolarHBondContact O-N 2.84Å; M436-Q439 PolarHBondContact O-N 3.08Å; M436-K440 PolarHBondContact O-N 3.29Å
437L90.1Very high89.1Confident0 Ų070.3 Ų70.30%032%0.32CS..Hα-helixtrans-67.8-41.5179.4-72.7179000111.6Y161 A164 Y168 I170 V175 V433 S434 E435 Q439 K440 L441Y161-L437 HydrophobicContact CD2-CB 4.24Å; Y161-L437 HydrophobicContact CD2-CD2 4.23Å; Y161-L437 WeakPolarHBondContact CD2-O 3.17Å; Y161-L437 HydrophobicContact CE2-CB 3.88Å; Y161-L437 HydrophobicContact CE2-CD2 4.48Å; Y161-L437 WeakPolarHBondContact CE2-O 3.49Å; A164-L437 HydrophobicContact CB-CD2 3.6Å; Y168-L437 HydrophobicContact CD2-CD1 4.23Å; Y168-L437 HydrophobicContact CE2-CD1 4.3Å; I170-L437 HydrophobicContact CD1-CD1 4.25Å; V175-L437 HydrophobicContact CG1-CD1 3.76Å; V175-L437 HydrophobicContact CG2-CB 4.39Å; V175-L437 HydrophobicContact CG2-CD1 4.22Å; V433-L437 HydrophobicContact CG1-CD1 3.95Å; V433-L437 HydrophobicContact CG1-CG 4.4Å; V433-L437 WeakPolarHBondContact O-CB 3.29Å; V433-L437 WeakPolarHBondContact O-CG 3.4Å; V433-L437 PolarHBondContact O-N 2.95Å; S434-L437 PolarHBondContact O-N 3.16Å; E435-L437 PolarHBondContact O-N 3.43Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.03Å; L437-K440 PolarHBondContact O-N 2.89Å; L437-L441 PolarHBondContact O-N 3.29Å
438R90Very high89.9Confident133 Ų13368.3 Ų68.350%0.50231%0.306SS..Hα-helixtrans-60.5-40.3173-77.2174.8-177.2156.53.6111.9S434 E435 K440 L441 K442S434-R438 VanDerWaalsContact O-CB 3.31Å; S434-R438 WeakPolarHBondContact O-CB 3.46Å; S434-R438 VanDerWaalsContact O-CG 3.22Å; S434-R438 WeakPolarHBondContact O-CG 3.48Å; S434-R438 PolarHBondContact O-N 3.15Å; E435-R438 PolarHBondContact O-N 2.74Å; R438-K440 PolarHBondContact O-N 2.89Å; R438-L441 PolarHBondContact O-N 3.48Å; R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 3.47Å
439Q90.9Very high90.6Very high110 Ų11063.6 Ų63.651%0.51429%0.294SS..Hα-helixtrans-63.1-42.7179.2-171.4-17811.100111.7E435 M436 L437 L441 K442 Q443E435-Q439 WeakPolarHBondContact O-CB 3.48Å; E435-Q439 PolarHBondContact O-N 3.31Å; M436-Q439 PolarHBondContact O-N 3.08Å; L437-Q439 VanDerWaalsContact C-N 3.32Å; L437-Q439 PolarHBondContact O-N 3.03Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 2.94Å; Q439-K442 PolarHBondContact O-N 3.42Å; Q439-Q443 VanDerWaalsContact O-CG 3.32Å; Q439-Q443 WeakPolarHBondContact O-CG 3.31Å; Q439-Q443 PolarHBondContact O-N 3.21Å
440K90.2Very high91Very high54 Ų5466.2 Ų66.224%0.23531%0.306CS..Hα-helixtrans-59.1-43.9175-71.6180179.9178.90111.8M436 L437 R438 Q443 A444M436-K440 PolarHBondContact O-N 3.29Å; L437-K440 PolarHBondContact O-N 2.89Å; R438-K440 PolarHBondContact O-N 2.89Å; K440-Q443 PolarHBondContact O-N 3.48Å; K440-A444 PolarHBondContact O-N 2.75Å; K440-A444 VanDerWaalsContact O-N 3.15Å
441L92.1Very high91.5Very high63 Ų6366.1 Ų66.133%0.3331%0.306SS..Hα-helixtrans-67.3-44.6178.7-166.7143000111.4Y161 L437 R438 Q439 Q443 A444 D445Y161-L441 HydrophobicContact CD1-CD1 4.34Å; Y161-L441 HydrophobicContact CD2-CB 4.25Å; Y161-L441 HydrophobicContact CD2-CD1 4.44Å; Y161-L441 HydrophobicContact CE1-CD1 4.03Å; Y161-L441 HydrophobicContact CE2-CB 4.33Å; Y161-L441 HydrophobicContact CE2-CD1 4.1Å; L437-L441 PolarHBondContact O-N 3.29Å; R438-L441 PolarHBondContact O-N 3.48Å; Q439-L441 VanDerWaalsContact C-N 3.32Å; Q439-L441 PolarHBondContact O-N 2.94Å; L441-Q443 VanDerWaalsContact C-N 3.31Å; L441-Q443 PolarHBondContact O-N 3.41Å; L441-A444 WeakPolarHBondContact O-CB 3.39Å; L441-A444 PolarHBondContact O-N 3.31Å; L441-A444 VanDerWaalsContact O-N 3.08Å; L441-D445 VanDerWaalsContact CD2-OD2 3.29Å; L441-D445 WeakPolarHBondContact CD2-OD2 3.32Å; L441-D445 PolarHBondContact O-N 2.83Å
442K92.8Very high92Very high97 Ų9762.8 Ų62.842%0.42230%0.298SS..Hα-helixtrans-57.7-41.9174.8-174175.6-178.1175.70112.1R438 Q439 A444 D445 I446R438-K442 WeakPolarHBondContact O-CB 3.37Å; R438-K442 PolarHBondContact O-N 3.47Å; Q439-K442 PolarHBondContact O-N 3.42Å; K442-A444 VanDerWaalsContact C-N 3.35Å; K442-D445 PolarHBondContact O-N 3.43Å; K442-I446 HydrophobicContact CG-CD1 4.25Å; K442-I446 VanDerWaalsContact O-CG1 3.28Å; K442-I446 WeakPolarHBondContact O-CG1 3.22Å; K442-I446 PolarHBondContact O-N 2.85Å
443Q93.2Very high92.4Very high85 Ų8557.7 Ų57.740%0.39729%0.286SS..Hα-helixtrans-62.5-41.1175.6-74.3174.9-2.900112.1L157 Q439 K440 L441 I446 L447L157-Q443 HydrophobicContact CD1-CB 3.86Å; Q439-Q443 VanDerWaalsContact O-CG 3.32Å; Q439-Q443 WeakPolarHBondContact O-CG 3.31Å; Q439-Q443 PolarHBondContact O-N 3.21Å; K440-Q443 PolarHBondContact O-N 3.48Å; L441-Q443 VanDerWaalsContact C-N 3.31Å; L441-Q443 PolarHBondContact O-N 3.41Å; Q443-I446 PolarHBondContact O-N 2.81Å; Q443-L447 WeakPolarHBondContact O-CG 3.42Å; Q443-L447 PolarHBondContact O-N 3.37Å; Q443-L447 VanDerWaalsContact O-N 3.14Å
444A94.4Very high92.7Very high0 Ų058.9 Ų58.90%029%0.292CS..Hα-helixtrans-62.6-41.9175.300000112L157 R158 K440 L441 K442 L447 V448L157-A444 HydrophobicContact CB-CB 3.91Å; L157-A444 HydrophobicContact CD1-CB 4.44Å; R158-A444 HydrophobicContact CG-CB 3.79Å; K440-A444 PolarHBondContact O-N 2.75Å; K440-A444 VanDerWaalsContact O-N 3.15Å; L441-A444 WeakPolarHBondContact O-CB 3.39Å; L441-A444 PolarHBondContact O-N 3.31Å; L441-A444 VanDerWaalsContact O-N 3.08Å; K442-A444 VanDerWaalsContact C-N 3.35Å; A444-L447 PolarHBondContact O-N 3.15Å; A444-V448 PolarHBondContact O-N 2.82Å
445D93.4Very high93.1Very high55 Ų5560.4 Ų60.429%0.29430%0.301SS..Hα-helixtrans-67.3-39179-66.1-21.4000112.3R158 L441 K442 L447 V448 L449R158-D445 IonicContact CZ-OD1 3.2Å; R158-D445 IonicContact NE-OD1 2.7Å; R158-D445 IonicContact NH2-OD1 3.15Å; R158-D445 PolarHBondContact NH2-OD1 3.49Å; L441-D445 VanDerWaalsContact CD2-OD2 3.29Å; L441-D445 WeakPolarHBondContact CD2-OD2 3.32Å; L441-D445 PolarHBondContact O-N 2.83Å; K442-D445 PolarHBondContact O-N 3.43Å; D445-L447 VanDerWaalsContact C-N 3.27Å; D445-L447 PolarHBondContact O-N 2.92Å; D445-V448 PolarHBondContact O-N 3.05Å; D445-V448 VanDerWaalsContact O-N 3.14Å; D445-L449 WeakPolarHBondContact O-CG 3.39Å; D445-L449 PolarHBondContact O-N 3.23Å
446I94.6Very high93.4Very high46 Ų4659.6 Ų59.624%0.23630%0.297CS..Hα-helixtrans-57.7-42.5172-69.2167.7000110.8W268 K442 Q443 V448 L449 K450W268-I446 HydrophobicContact CE3-CG1 4.05Å; W268-I446 HydrophobicContact CZ3-CD1 4.27Å; W268-I446 HydrophobicContact CZ3-CG1 3.55Å; K442-I446 HydrophobicContact CG-CD1 4.25Å; K442-I446 VanDerWaalsContact O-CG1 3.28Å; K442-I446 WeakPolarHBondContact O-CG1 3.22Å; K442-I446 PolarHBondContact O-N 2.85Å; Q443-I446 PolarHBondContact O-N 2.81Å; I446-V448 VanDerWaalsContact C-N 3.33Å; I446-L449 PolarHBondContact O-N 2.73Å; I446-K450 HydrophobicContact CG2-CD 4.17Å; I446-K450 HydrophobicContact CG2-CG 4.49Å; I446-K450 WeakPolarHBondContact O-CB 3.32Å; I446-K450 WeakPolarHBondContact O-CG 3.44Å; I446-K450 PolarHBondContact O-N 3.02Å
447L93.9Very high93.6Very high36 Ų3663.1 Ų63.119%0.18831%0.308CS..Hα-helixtrans-67-34.8178.3-70.8175.7000112.3A154 L157 Q443 A444 D445 K450 A451A154-L447 HydrophobicContact CB-CB 3.85Å; A154-L447 HydrophobicContact CB-CD1 4.47Å; L157-L447 HydrophobicContact CD1-CD1 3.75Å; Q443-L447 WeakPolarHBondContact O-CG 3.42Å; Q443-L447 PolarHBondContact O-N 3.37Å; Q443-L447 VanDerWaalsContact O-N 3.14Å; A444-L447 PolarHBondContact O-N 3.15Å; D445-L447 VanDerWaalsContact C-N 3.27Å; D445-L447 PolarHBondContact O-N 2.92Å; L447-K450 HydrophobicContact CD2-CD 4.41Å; L447-K450 PolarHBondContact O-N 2.99Å; L447-A451 PolarHBondContact O-N 3.42Å
448V95.3Very high93.9Very high59 Ų5966.6 Ų66.636%0.35832%0.321SS..Hα-helixtrans-65.6-44.6173172.30000111.4A154 A444 D445 I446 K450 A451 A452A154-V448 HydrophobicContact CB-CG2 3.91Å; A444-V448 PolarHBondContact O-N 2.82Å; D445-V448 PolarHBondContact O-N 3.05Å; D445-V448 VanDerWaalsContact O-N 3.14Å; I446-V448 VanDerWaalsContact C-N 3.33Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 3.24Å; V448-A451 WeakPolarHBondContact O-CB 3.43Å; V448-A451 PolarHBondContact O-N 2.9Å; V448-A451 VanDerWaalsContact O-N 3.17Å; V448-A452 PolarHBondContact O-N 2.98Å
449L94.9Very high94.2Very high86 Ų8665 Ų6545%0.4532%0.319SS..Hα-helixtrans-61.4-43.4175.6-69.6172.7000111.2W268 D445 I446 A451 A452 T453W268-L449 HydrophobicContact CD2-CD1 4.33Å; W268-L449 HydrophobicContact CE3-CD1 4.27Å; W268-L449 HydrophobicContact CH2-CD1 4.17Å; W268-L449 HydrophobicContact CZ2-CD1 4.21Å; W268-L449 HydrophobicContact CZ3-CD1 4.22Å; D445-L449 WeakPolarHBondContact O-CG 3.39Å; D445-L449 PolarHBondContact O-N 3.23Å; I446-L449 PolarHBondContact O-N 2.73Å; L449-A451 VanDerWaalsContact C-N 3.33Å; L449-A451 PolarHBondContact O-N 2.83Å; L449-A452 WeakPolarHBondContact O-CB 3.48Å; L449-A452 PolarHBondContact O-N 3.45Å; L449-T453 PolarHBondContact O-N 3.2Å
450K93.8Very high94.4Very high81 Ų8165.7 Ų65.735%0.35232%0.322SS..Hα-helixtrans-57.7-45.7172.8-76.2176.6179179.60111.3I446 L447 V448 A452 T453 M454I446-K450 HydrophobicContact CG2-CD 4.17Å; I446-K450 HydrophobicContact CG2-CG 4.49Å; I446-K450 WeakPolarHBondContact O-CB 3.32Å; I446-K450 WeakPolarHBondContact O-CG 3.44Å; I446-K450 PolarHBondContact O-N 3.02Å; L447-K450 HydrophobicContact CD2-CD 4.41Å; L447-K450 PolarHBondContact O-N 2.99Å; V448-K450 VanDerWaalsContact C-N 3.33Å; V448-K450 PolarHBondContact O-N 3.24Å; K450-A452 VanDerWaalsContact C-N 3.31Å; K450-A452 PolarHBondContact O-N 2.98Å; K450-T453 PolarHBondContact O-N 3.48Å; K450-T453 PolarHBondContact O-OG1 2.99Å; K450-M454 WeakPolarHBondContact O-CG 3.14Å; K450-M454 PolarHBondContact O-N 3.41Å
451A95.1Very high94.7Very high4 Ų463.5 Ų63.53%0.03331%0.314CS..Hα-helixtrans-57.6-43.4176.100000111.8E147 C150 Q151 L447 V448 L449 T453 M454 V455E147-A451 HydrophobicContact CG-CB 4.5Å; C150-A451 HydrophobicContact CB-CB 3.95Å; Q151-A451 HydrophobicContact CG-CB 4.03Å; L447-A451 PolarHBondContact O-N 3.42Å; V448-A451 WeakPolarHBondContact O-CB 3.43Å; V448-A451 PolarHBondContact O-N 2.9Å; V448-A451 VanDerWaalsContact O-N 3.17Å; L449-A451 VanDerWaalsContact C-N 3.33Å; L449-A451 PolarHBondContact O-N 2.83Å; A451-T453 PolarHBondContact O-N 3.37Å; A451-M454 WeakPolarHBondContact O-CB 3.33Å; A451-M454 PolarHBondContact O-N 2.96Å; A451-M454 VanDerWaalsContact O-N 3.14Å; A451-V455 PolarHBondContact O-N 3.28Å; A451-V455 VanDerWaalsContact O-N 3.12Å
452A94.4Very high94.9Very high48 Ų4864.7 Ų64.740%0.39732%0.321SS..Hα-helixtrans-59.8-46.1175.600000112.2V448 L449 K450 M454 V455 E456V448-A452 PolarHBondContact O-N 2.98Å; L449-A452 WeakPolarHBondContact O-CB 3.48Å; L449-A452 PolarHBondContact O-N 3.45Å; K450-A452 VanDerWaalsContact C-N 3.31Å; K450-A452 PolarHBondContact O-N 2.98Å; A452-M454 PolarHBondContact O-N 2.89Å; A452-V455 WeakPolarHBondContact O-CB 3.37Å; A452-V455 PolarHBondContact O-N 3.23Å; A452-E456 PolarHBondContact O-N 2.97Å; A452-E456 VanDerWaalsContact O-N 3.09Å
453T95Very high95Very high62 Ų6266.1 Ų66.138%0.3833%0.329SS..Hα-helixtrans-62.7-29.7175.864.90000113.2L449 K450 A451 V455 R457L449-T453 PolarHBondContact O-N 3.2Å; K450-T453 PolarHBondContact O-N 3.48Å; K450-T453 PolarHBondContact O-OG1 2.99Å; A451-T453 PolarHBondContact O-N 3.37Å; T453-V455 VanDerWaalsContact C-N 3.35Å; T453-R457 VanDerWaalsContact O-CG 3.31Å; T453-R457 WeakPolarHBondContact O-CG 3.35Å; T453-R457 PolarHBondContact O-N 3.1Å; T453-R457 VanDerWaalsContact O-N 3.11Å
454M94.5Very high95.1Very high30 Ų3065 Ų6515%0.14832%0.324CS..Hα-helixtrans-69.9-34.3174.4-62.2-60.516100111.5L143 E147 K450 A451 A452 R458L143-M454 HydrophobicContact CD2-CB 4.46Å; L143-M454 HydrophobicContact CD2-SD 3.51Å; L143-M454 VanDerWaalsContact CD2-SD 3.51Å; E147-M454 HydrophobicContact CB-CB 4.38Å; K450-M454 WeakPolarHBondContact O-CG 3.14Å; K450-M454 PolarHBondContact O-N 3.41Å; A451-M454 WeakPolarHBondContact O-CB 3.33Å; A451-M454 PolarHBondContact O-N 2.96Å; A451-M454 VanDerWaalsContact O-N 3.14Å; A452-M454 PolarHBondContact O-N 2.89Å; M454-R458 WeakPolarHBondContact O-CB 3.48Å; M454-R458 PolarHBondContact O-N 3.49Å
455V95.8Very high95.1Very high33 Ų3366.2 Ų66.220%0.233%0.329CS..Hα-helixtrans-64.2-49.2174.2174.60000110.4E147 A451 A452 T453 R457 R458 E459E147-V455 VanDerWaalsContact CD-CG2 3.45Å; E147-V455 HydrophobicContact CG-CG2 4.01Å; E147-V455 WeakPolarHBondContact OE1-CG2 3.46Å; A451-V455 PolarHBondContact O-N 3.28Å; A451-V455 VanDerWaalsContact O-N 3.12Å; A452-V455 WeakPolarHBondContact O-CB 3.37Å; A452-V455 PolarHBondContact O-N 3.23Å; T453-V455 VanDerWaalsContact C-N 3.35Å; V455-R457 PolarHBondContact O-N 3.12Å; V455-R458 WeakPolarHBondContact O-CB 3.36Å; V455-R458 PolarHBondContact O-N 3.49Å; V455-R458 VanDerWaalsContact O-N 3.07Å; V455-E459 WeakPolarHBondContact O-CG 3.48Å; V455-E459 PolarHBondContact O-N 2.95Å
456E95.8Very high95.1Very high119 Ų11967 Ų6756%0.55634%0.339SS*.Hα-helixtrans-56.3-49.8177.6-68.4175.417400111.4A452 R458 E459 E460A452-E456 PolarHBondContact O-N 2.97Å; A452-E456 VanDerWaalsContact O-N 3.09Å; E456-R458 VanDerWaalsContact C-N 3.26Å; E456-R458 PolarHBondContact O-N 2.96Å; E456-E459 WeakPolarHBondContact O-CB 3.39Å; E456-E459 PolarHBondContact O-N 3.31Å; E456-E459 VanDerWaalsContact O-N 3.11Å; E456-E460 PolarHBondContact O-N 3.08Å
457R95.2Very high95.2Very high125 Ų12572.2 Ų72.247%0.47236%0.355SS..Hα-helixtrans-63.3-30.7177.4-69.8178.967.5-176.52.1113.3L143 T453 V455 A461L143-R457 HydrophobicContact CD1-CB 3.82Å; L143-R457 HydrophobicContact CD2-CB 4.39Å; T453-R457 VanDerWaalsContact O-CG 3.31Å; T453-R457 WeakPolarHBondContact O-CG 3.35Å; T453-R457 PolarHBondContact O-N 3.1Å; T453-R457 VanDerWaalsContact O-N 3.11Å; V455-R457 PolarHBondContact O-N 3.12Å; R457-A461 PolarHBondContact O-N 2.92Å; R457-A461 VanDerWaalsContact O-N 3.1Å
458R96.5Very high95.1Very high73 Ų7371 Ų7128%0.27535%0.349SS..Hα-helixtrans-70.2-40175.5-175.7-175.868.2-172.3-8.2110.4Q140 L143 E147 M454 V455 E456 A461 L462Q140-R458 HydrophobicContact CB-CG 4.24Å; Q140-R458 HydrophobicContact CG-CG 4.17Å; L143-R458 HydrophobicContact CB-CB 4.21Å; L143-R458 HydrophobicContact CD1-CB 4.18Å; E147-R458 IonicContact OE2-CZ 2.8Å; E147-R458 IonicContact OE2-NH1 2.88Å; E147-R458 PolarHBondContact OE2-NH1 3.37Å; E147-R458 IonicContact OE2-NH2 3.43Å; M454-R458 WeakPolarHBondContact O-CB 3.48Å; M454-R458 PolarHBondContact O-N 3.49Å; V455-R458 WeakPolarHBondContact O-CB 3.36Å; V455-R458 PolarHBondContact O-N 3.49Å; V455-R458 VanDerWaalsContact O-N 3.07Å; E456-R458 VanDerWaalsContact C-N 3.26Å; E456-R458 PolarHBondContact O-N 2.96Å; R458-A461 PolarHBondContact O-N 2.68Å; R458-L462 WeakPolarHBondContact O-CB 3.24Å; R458-L462 PolarHBondContact O-N 2.91Å
459E95.9Very high95Very high99 Ų9971.7 Ų71.746%0.46335%0.348SS..Hα-helixtrans-63.6-42.6174.6-70.3178.6-175.900111.6V455 E456 A461 L462 Q463V455-E459 WeakPolarHBondContact O-CG 3.48Å; V455-E459 PolarHBondContact O-N 2.95Å; E456-E459 WeakPolarHBondContact O-CB 3.39Å; E456-E459 PolarHBondContact O-N 3.31Å; E456-E459 VanDerWaalsContact O-N 3.11Å; E459-A461 VanDerWaalsContact C-N 3.34Å; E459-A461 PolarHBondContact O-N 2.84Å; E459-L462 WeakPolarHBondContact O-CB 3.16Å; E459-L462 PolarHBondContact O-N 3.41Å; E459-Q463 WeakPolarHBondContact O-CG 3.17Å; E459-Q463 PolarHBondContact O-N 2.72Å
460E96.3Very high95Very high124 Ų12471.3 Ų71.358%0.57935%0.351SS*.Hα-helixtrans-58.1-45.5172.8-68.6176.3168.400111.9E456 L462 Q463 E464E456-E460 PolarHBondContact O-N 3.08Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 3.35Å; E460-Q463 PolarHBondContact O-N 2.69Å; E460-E464 PolarHBondContact O-N 3.27Å
461A95.4Very high94.8Very high8 Ų870.3 Ų70.37%0.06635%0.354CS..Hα-helixtrans-65.8-32.7177.600000112.7L139 Q140 R457 R458 E459 Q465L139-A461 HydrophobicContact CD2-CB 4.06Å; L139-A461 HydrophobicContact CG-CB 4.39Å; Q140-A461 HydrophobicContact CG-CB 3.72Å; Q140-A461 PolarHBondContact NE2-O 3.36Å; R457-A461 PolarHBondContact O-N 2.92Å; R457-A461 VanDerWaalsContact O-N 3.1Å; R458-A461 PolarHBondContact O-N 2.68Å; E459-A461 VanDerWaalsContact C-N 3.34Å; E459-A461 PolarHBondContact O-N 2.84Å; A461-Q465 PolarHBondContact O-N 3.23Å; A461-Q465 VanDerWaalsContact O-N 3.1Å
462L96.4Very high94.7Very high89 Ų8971 Ų7147%0.46636%0.357SS..Hα-helixtrans-70-42.4173.9-179.665000111.4R458 E459 E460 E464 Q465 S466R458-L462 WeakPolarHBondContact O-CB 3.24Å; R458-L462 PolarHBondContact O-N 2.91Å; E459-L462 WeakPolarHBondContact O-CB 3.16Å; E459-L462 PolarHBondContact O-N 3.41Å; E460-L462 VanDerWaalsContact C-N 3.3Å; E460-L462 PolarHBondContact O-N 3.35Å; L462-E464 VanDerWaalsContact C-N 3.33Å; L462-E464 PolarHBondContact O-N 2.67Å; L462-Q465 WeakPolarHBondContact O-CB 3.39Å; L462-Q465 PolarHBondContact O-N 3.46Å; L462-S466 PolarHBondContact O-N 3.29Å
463Q96Very high94.6Very high126 Ų12674 Ų7459%0.58937%0.367SS*.Hα-helixtrans-60.4-44.4174.7-71.8175.214.500110.9E459 E460 Q465 S466 R467E459-Q463 WeakPolarHBondContact O-CG 3.17Å; E459-Q463 PolarHBondContact O-N 2.72Å; E460-Q463 PolarHBondContact O-N 2.69Å; Q463-Q465 PolarHBondContact O-N 3.47Å; Q463-S466 WeakPolarHBondContact CA-OG 3.33Å; Q463-S466 PolarHBondContact O-N 3.46Å; Q463-S466 PolarHBondContact O-OG 3.37Å; Q463-R467 PolarHBondContact O-N 3.07Å
464E94.1Very high94.4Very high63 Ų6375.6 Ų75.629%0.29437%0.373SS..Hα-helixtrans-60.1-45.2175.6-175.358.2-153.200111.9E460 L462 S466 R467 L468E460-E464 PolarHBondContact O-N 3.27Å; L462-E464 VanDerWaalsContact C-N 3.33Å; L462-E464 PolarHBondContact O-N 2.67Å; E464-S466 PolarHBondContact O-N 3.09Å; E464-R467 PolarHBondContact O-N 3.35Å; E464-R467 IonicContact OE1-CZ 2.72Å; E464-R467 IonicContact OE1-NE 3.24Å; E464-R467 IonicContact OE1-NH2 3.68Å; E464-R467 PolarHBondContact OE1-NH2 2.96Å; E464-R467 IonicContact OE2-CZ 2.7Å; E464-R467 IonicContact OE2-NE 3.64Å; E464-R467 PolarHBondContact OE2-NE 3.3Å; E464-R467 IonicContact OE2-NH1 3.8Å; E464-R467 IonicContact OE2-NH2 2.74Å; E464-R467 PolarHBondContact OE2-NH2 3.49Å; E464-L468 HydrophobicContact CG-CD1 4.07Å; E464-L468 WeakPolarHBondContact O-CG 3.44Å; E464-L468 PolarHBondContact O-N 2.84Å; E464-L468 VanDerWaalsContact O-N 3.11Å; E464-L468 WeakPolarHBondContact OE1-CD1 3.47Å
465Q94.7Very high94.2Very high25 Ų2575 Ų7512%0.11737%0.37CS..Hα-helixtrans-57.5-49.3174.1177.6-171-18.800111.3I133 A136 A461 L462 Q463 R467 L468 E469I133-Q465 HydrophobicContact CG2-CG 4.43Å; A136-Q465 HydrophobicContact CB-CB 4.28Å; A461-Q465 PolarHBondContact O-N 3.23Å; A461-Q465 VanDerWaalsContact O-N 3.1Å; L462-Q465 WeakPolarHBondContact O-CB 3.39Å; L462-Q465 PolarHBondContact O-N 3.46Å; Q463-Q465 PolarHBondContact O-N 3.47Å; Q465-R467 PolarHBondContact O-N 3.13Å; Q465-L468 PolarHBondContact O-N 3.34Å; Q465-L468 VanDerWaalsContact O-N 3.08Å; Q465-E469 HydrophobicContact CG-CG 4.26Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 3.15Å; Q465-E469 WeakPolarHBondContact O-CG 3.41Å; Q465-E469 PolarHBondContact O-N 3.21Å
466S94.5Very high94Very high70 Ų7074 Ų7449%0.4937%0.365SS..Hα-helixtrans-62.3-27.7-178.275.70000113L462 Q463 E464 P470L462-S466 PolarHBondContact O-N 3.29Å; Q463-S466 WeakPolarHBondContact CA-OG 3.33Å; Q463-S466 PolarHBondContact O-N 3.46Å; Q463-S466 PolarHBondContact O-OG 3.37Å; E464-S466 PolarHBondContact O-N 3.09Å; S466-P470 WeakPolarHBondContact O-CD 3.27Å
467R94.9Very high93.7Very high156 Ų15669.7 Ų69.759%0.58935%0.352SS*.Hα-helixtrans-76.3-35.9174.9-173-179.672169.64.7112.5Q463 E464 Q465 C471Q463-R467 PolarHBondContact O-N 3.07Å; E464-R467 PolarHBondContact O-N 3.35Å; E464-R467 IonicContact OE1-CZ 2.72Å; E464-R467 IonicContact OE1-NE 3.24Å; E464-R467 IonicContact OE1-NH2 3.68Å; E464-R467 PolarHBondContact OE1-NH2 2.96Å; E464-R467 IonicContact OE2-CZ 2.7Å; E464-R467 IonicContact OE2-NE 3.64Å; E464-R467 PolarHBondContact OE2-NE 3.3Å; E464-R467 IonicContact OE2-NH1 3.8Å; E464-R467 IonicContact OE2-NH2 2.74Å; E464-R467 PolarHBondContact OE2-NH2 3.49Å; Q465-R467 PolarHBondContact O-N 3.13Å; R467-C471 PolarHBondContact O-SG 3.3Å; R467-C471 VanDerWaalsContact O-SG 3.38Å
468L93.6Very high93.4Very high11 Ų1167.7 Ų67.76%0.05835%0.345CS..Hα-helixtrans-83-31.5-175.4-67.8175.6000113.2L129 Q132 I133 E464 Q465 C471 V472L129-L468 HydrophobicContact CD2-CD2 4.07Å; Q132-L468 HydrophobicContact CB-CD1 3.68Å; I133-L468 HydrophobicContact CD1-CB 4.11Å; I133-L468 HydrophobicContact CG1-CB 3.71Å; I133-L468 HydrophobicContact CG1-CD1 4.25Å; E464-L468 HydrophobicContact CG-CD1 4.07Å; E464-L468 WeakPolarHBondContact O-CG 3.44Å; E464-L468 PolarHBondContact O-N 2.84Å; E464-L468 VanDerWaalsContact O-N 3.11Å; E464-L468 WeakPolarHBondContact OE1-CD1 3.47Å; Q465-L468 PolarHBondContact O-N 3.34Å; Q465-L468 VanDerWaalsContact O-N 3.08Å; L468-C471 WeakPolarHBondContact O-CB 3.37Å; L468-C471 PolarHBondContact O-N 2.81Å; L468-C471 VanDerWaalsContact O-N 3.13Å; L468-V472 PolarHBondContact O-N 2.9Å; L468-V472 VanDerWaalsContact O-N 3.08Å
469E93.2Very high93.2Very high73 Ų7364.3 Ų64.334%0.34133%0.332SS..Hα-helixtrans-57-50.5-178.9-78.8176.2171.200113.1I133 K137 Q465 C471 V472 D473I133-E469 HydrophobicContact CD1-CG 4.07Å; K137-E469 IonicContact NZ-OE1 2.8Å; Q465-E469 HydrophobicContact CG-CG 4.26Å; Q465-E469 WeakPolarHBondContact CG-OE1 3.41Å; Q465-E469 PolarHBondContact NE2-OE1 3.15Å; Q465-E469 WeakPolarHBondContact O-CG 3.41Å; Q465-E469 PolarHBondContact O-N 3.21Å; E469-C471 PolarHBondContact O-N 3.39Å; E469-V472 PolarHBondContact O-N 2.62Å; E469-V472 VanDerWaalsContact O-N 3.13Å; E469-D473 PolarHBondContact O-N 3.44Å; E469-D473 VanDerWaalsContact O-N 3.11Å
470P93.4Very high93Very high78 Ų7866.5 Ų66.551%0.50634%0.337SS..Hα-helixtrans-61.4-32.3175.7-23.433.7000113.4S466 D473 L474S466-P470 WeakPolarHBondContact O-CD 3.27Å; P470-D473 PolarHBondContact O-N 3.34Å; P470-L474 WeakPolarHBondContact O-CB 3.02Å; P470-L474 PolarHBondContact O-N 2.83Å
471C91.1Very high92.8Very high61 Ų6166.1 Ų66.141%0.41234%0.335SS..Hα-helixtrans-65.8-39.5177.4-65.10000111.5R467 L468 E469 L475R467-C471 PolarHBondContact O-SG 3.3Å; R467-C471 VanDerWaalsContact O-SG 3.38Å; L468-C471 WeakPolarHBondContact O-CB 3.37Å; L468-C471 PolarHBondContact O-N 2.81Å; L468-C471 VanDerWaalsContact O-N 3.13Å; E469-C471 PolarHBondContact O-N 3.39Å; C471-L475 WeakPolarHBondContact O-CB 3.44Å; C471-L475 PolarHBondContact O-N 3.39Å
472V92.6Very high92.6Very high17 Ų1766.1 Ų66.110%0.10333%0.333CS..Hα-helixtrans-66-45.1175.3173.50000110.8L129 I133 L468 E469 L474 L475 A476 I506L129-V472 HydrophobicContact CB-CG2 3.54Å; L129-V472 HydrophobicContact CD1-CG2 4.09Å; L129-V472 HydrophobicContact CG-CG2 4.41Å; I133-V472 HydrophobicContact CD1-CB 4.45Å; I133-V472 HydrophobicContact CD1-CG2 3.62Å; L468-V472 PolarHBondContact O-N 2.9Å; L468-V472 VanDerWaalsContact O-N 3.08Å; E469-V472 PolarHBondContact O-N 2.62Å; E469-V472 VanDerWaalsContact O-N 3.13Å; V472-L474 VanDerWaalsContact C-N 3.35Å; V472-L474 PolarHBondContact O-N 3.32Å; V472-L475 PolarHBondContact O-N 2.99Å; V472-A476 WeakPolarHBondContact O-CB 3.29Å; V472-A476 PolarHBondContact O-N 3.46Å; V472-I506 HydrophobicContact CG1-CG2 4.38Å
473D91.6Very high92.5Very high112 Ų11263.7 Ų63.760%0.59932%0.32SS*.Hα-helixtrans-61.8-43.5178.9-73.7-25000111.9E469 P470 A476 G477E469-D473 PolarHBondContact O-N 3.44Å; E469-D473 VanDerWaalsContact O-N 3.11Å; P470-D473 PolarHBondContact O-N 3.34Å; D473-A476 PolarHBondContact O-N 3.03Å; D473-G477 PolarHBondContact O-N 2.92Å
474L90Very high92.5Very high96 Ų9664.6 Ų64.650%0.50332%0.322SS..Hα-helixtrans-62.2-45.2175.6-177.964.1000111.5P470 V472 G477 R478P470-L474 WeakPolarHBondContact O-CB 3.02Å; P470-L474 PolarHBondContact O-N 2.83Å; V472-L474 VanDerWaalsContact C-N 3.35Å; V472-L474 PolarHBondContact O-N 3.32Å; L474-G477 PolarHBondContact O-N 2.91Å; L474-R478 WeakPolarHBondContact O-CG 3.5Å; L474-R478 PolarHBondContact O-N 3.31Å
475L90.8Very high92.4Very high17 Ų1763.9 Ų63.99%0.08932%0.32CS..Hα-helixtrans-63.9-41.5178-176.567000111.5N121 E125 L129 C471 V472 R478 T479 I506N121-L475 HydrophobicContact CB-CD1 4.21Å; E125-L475 HydrophobicContact CB-CD2 3.82Å; L129-L475 HydrophobicContact CD1-CD2 3.88Å; C471-L475 WeakPolarHBondContact O-CB 3.44Å; C471-L475 PolarHBondContact O-N 3.39Å; V472-L475 PolarHBondContact O-N 2.99Å; L475-R478 PolarHBondContact O-N 2.81Å; L475-T479 VanDerWaalsContact O-CB 3.24Å; L475-T479 WeakPolarHBondContact O-CB 3.47Å; L475-T479 PolarHBondContact O-N 3.14Å; L475-T479 PolarHBondContact O-OG1 3.21Å; L475-I506 HydrophobicContact CD2-CD1 4.1Å; L475-I506 HydrophobicContact CD2-CG2 4.16Å; L475-I506 HydrophobicContact CG-CD1 3.81Å; L475-I506 HydrophobicContact CG-CG2 4.36Å
476A91.6Very high92.4Very high11 Ų1162.7 Ų62.79%0.09131%0.314CS..Hα-helixtrans-63.6-41.5176.500000111.4V472 D473 T479 R480 I506V472-A476 WeakPolarHBondContact O-CB 3.29Å; V472-A476 PolarHBondContact O-N 3.46Å; D473-A476 PolarHBondContact O-N 3.03Å; A476-T479 PolarHBondContact O-N 3.31Å; A476-R480 WeakPolarHBondContact O-CG 3.26Å; A476-R480 PolarHBondContact O-N 2.81Å; A476-R480 PolarHBondContact O-NE 2.87Å; A476-I506 HydrophobicContact CB-CB 4.11Å; A476-I506 HydrophobicContact CB-CG2 4.09Å
477G90.9Very high92.4Very high29 Ų2961 Ų6130%0.29930%0.299SS..Hα-helixtrans-59.8-53.6174.100000112.5D473 L474 T479 R480 E481D473-G477 PolarHBondContact O-N 2.92Å; L474-G477 PolarHBondContact O-N 2.91Å; G477-T479 VanDerWaalsContact C-N 3.28Å; G477-T479 PolarHBondContact O-N 3.38Å; G477-R480 PolarHBondContact O-N 3.04Å; G477-E481 PolarHBondContact O-N 3.39Å
478R87.5Confident92.3Very high83 Ų8355.9 Ų55.931%0.31329%0.289SS..Hα-helixtrans-60.1-37.3178.1-72.3176.3172.9-178.3-3.9112.6S59 G60 L474 L475 E481 L482S59-R478 PolarHBondContact O-NH2 3.32Å; G60-R478 PolarHBondContact O-NH1 3.16Å; G60-R478 PolarHBondContact O-NH2 2.9Å; L474-R478 WeakPolarHBondContact O-CG 3.5Å; L474-R478 PolarHBondContact O-N 3.31Å; L475-R478 PolarHBondContact O-N 2.81Å; R478-E481 PolarHBondContact O-N 3.02Å; R478-L482 WeakPolarHBondContact O-CG 3.46Å; R478-L482 PolarHBondContact O-N 3.07Å
479T92.2Very high92.3Very high2 Ų256.3 Ų56.31%0.01229%0.292CS..Hα-helixtrans-70.2-39.3179.6-60.50000111.7L118 N121 V122 L475 A476 G477 E481 L482 Q483 V504 I506L118-T479 HydrophobicContact CD1-CG2 3.5Å; N121-T479 HydrophobicContact CB-CG2 4.26Å; N121-T479 WeakPolarHBondContact CB-OG1 3.39Å; N121-T479 PolarHBondContact ND2-OG1 3.16Å; V122-T479 HydrophobicContact CG2-CG2 3.85Å; L475-T479 VanDerWaalsContact O-CB 3.24Å; L475-T479 WeakPolarHBondContact O-CB 3.47Å; L475-T479 PolarHBondContact O-N 3.14Å; L475-T479 PolarHBondContact O-OG1 3.21Å; A476-T479 PolarHBondContact O-N 3.31Å; G477-T479 VanDerWaalsContact C-N 3.28Å; G477-T479 PolarHBondContact O-N 3.38Å; T479-E481 VanDerWaalsContact C-N 3.31Å; T479-E481 PolarHBondContact O-N 3.37Å; T479-L482 PolarHBondContact O-N 2.97Å; T479-Q483 WeakPolarHBondContact O-CB 3.41Å; T479-Q483 PolarHBondContact O-N 3.07Å; T479-V504 HydrophobicContact CG2-CG1 3.65Å; T479-I506 VanDerWaalsContact CB-CD1 3.41Å; T479-I506 HydrophobicContact CG2-CD1 3.47Å; T479-I506 VanDerWaalsContact CG2-CD1 3.47Å; T479-I506 HydrophobicContact CG2-CG1 4.06Å; T479-I506 WeakPolarHBondContact OG1-CD1 3.3Å
480R93.2Very high92.3Very high146 Ų14652.9 Ų52.955%0.55128%0.276SS*.Hα-helixtrans-64.1-36.5172.3-76.8-178.3-112133.5-5.2112.2A476 G477 K484A476-R480 WeakPolarHBondContact O-CG 3.26Å; A476-R480 PolarHBondContact O-N 2.81Å; A476-R480 PolarHBondContact O-NE 2.87Å; G477-R480 PolarHBondContact O-N 3.04Å; R480-K484 WeakPolarHBondContact O-CG 3.19Å; R480-K484 PolarHBondContact O-N 3.29Å; R480-K484 VanDerWaalsContact O-N 3.16Å
481E91.1Very high92.3Very high116 Ų11650.2 Ų50.254%0.54226%0.259SS..Hα-helixtrans-65.2-48.9174.3-174.4176.3-170.900111.6G477 R478 T479 Q483 K484 L485G477-E481 PolarHBondContact O-N 3.39Å; R478-E481 PolarHBondContact O-N 3.02Å; T479-E481 VanDerWaalsContact C-N 3.31Å; T479-E481 PolarHBondContact O-N 3.37Å; E481-Q483 VanDerWaalsContact C-N 3.31Å; E481-Q483 PolarHBondContact O-N 3.37Å; E481-K484 PolarHBondContact O-N 3.02Å; E481-L485 HydrophobicContact CG-CD1 4.1Å; E481-L485 WeakPolarHBondContact O-CG 3.4Å; E481-L485 PolarHBondContact O-N 3.25Å
482L91.4Very high92.4Very high7 Ų754.4 Ų54.44%0.03727%0.27CS..Hα-helixtrans-56.4-43.9174.9-76171.5000112.3H64 V114 L117 L118 R478 T479 K484 L485 I486H64-L482 WeakPolarHBondContact NE2-CD2 3.3Å; V114-L482 HydrophobicContact CB-CD2 4.15Å; V114-L482 HydrophobicContact CG1-CD2 4.19Å; L117-L482 HydrophobicContact CD2-CD1 3.65Å; L117-L482 HydrophobicContact CD2-CD2 4.29Å; L117-L482 HydrophobicContact CG-CD1 3.88Å; L118-L482 HydrophobicContact CD1-CB 4.13Å; R478-L482 WeakPolarHBondContact O-CG 3.46Å; R478-L482 PolarHBondContact O-N 3.07Å; T479-L482 PolarHBondContact O-N 2.97Å; L482-K484 PolarHBondContact O-N 3.12Å; L482-L485 PolarHBondContact O-N 3.29Å; L482-I486 WeakPolarHBondContact O-CD1 3.45Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.32Å; L482-I486 PolarHBondContact O-N 3.27Å
483Q94.8Very high92.3Very high38 Ų3857.5 Ų57.518%0.17828%0.28CS..Hα-helixtrans-55-53.1175.5172.6177.214.400111.2L118 T479 E481 L485 I486 E487 L501 V504L118-Q483 HydrophobicContact CD1-CB 4.4Å; T479-Q483 WeakPolarHBondContact O-CB 3.41Å; T479-Q483 PolarHBondContact O-N 3.07Å; E481-Q483 VanDerWaalsContact C-N 3.31Å; E481-Q483 PolarHBondContact O-N 3.37Å; Q483-L485 VanDerWaalsContact C-N 3.3Å; Q483-L485 PolarHBondContact O-N 3.3Å; Q483-I486 PolarHBondContact O-N 2.97Å; Q483-E487 HydrophobicContact CG-CG 4.33Å; Q483-E487 VanDerWaalsContact CG-OE1 3.27Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.33Å; Q483-E487 PolarHBondContact NE2-OE1 3.2Å; Q483-E487 WeakPolarHBondContact O-CB 3.15Å; Q483-E487 WeakPolarHBondContact O-CG 3.5Å; Q483-E487 PolarHBondContact O-N 3.39Å; Q483-L501 HydrophobicContact CG-CB 4.23Å; Q483-L501 HydrophobicContact CG-CD1 4.24Å; Q483-L501 PolarHBondContact NE2-O 3Å; Q483-V504 HydrophobicContact CB-CG1 4.34Å; Q483-V504 HydrophobicContact CG-CG2 4.27Å
484K94.4Very high92.2Very high145 Ų14554.9 Ų54.963%0.6326%0.262SS*.Hα-helixtrans-59.5-41.1-179.9-72.1175.7-179.2-178.40112.3R480 E481 L482 A488R480-K484 WeakPolarHBondContact O-CG 3.19Å; R480-K484 PolarHBondContact O-N 3.29Å; R480-K484 VanDerWaalsContact O-N 3.16Å; E481-K484 PolarHBondContact O-N 3.02Å; L482-K484 PolarHBondContact O-N 3.12Å; K484-A488 VanDerWaalsContact O-CB 3.24Å; K484-A488 WeakPolarHBondContact O-CB 3.47Å; K484-A488 PolarHBondContact O-N 3.32Å
485L92.6Very high92.1Very high49 Ų4957.2 Ų57.226%0.25728%0.275SS..Hα-helixtrans-64.5-42.9179.2-69.8169.9000111.6F66 E481 L482 Q483 D489F66-L485 HydrophobicContact CB-CD1 4.12Å; F66-L485 HydrophobicContact CD1-CD1 4.38Å; F66-L485 HydrophobicContact CD1-CD2 4.05Å; F66-L485 HydrophobicContact CD2-CB 4.2Å; F66-L485 HydrophobicContact CD2-CD1 3.71Å; F66-L485 HydrophobicContact CD2-CG 4.41Å; F66-L485 HydrophobicContact CE1-CB 4.37Å; F66-L485 HydrophobicContact CE1-CD2 4.16Å; F66-L485 HydrophobicContact CE2-CB 3.79Å; F66-L485 HydrophobicContact CE2-CD1 4.18Å; F66-L485 HydrophobicContact CE2-CG 4.46Å; F66-L485 HydrophobicContact CG-CD1 3.82Å; F66-L485 HydrophobicContact CG-CD2 4.32Å; F66-L485 HydrophobicContact CG-CG 4.5Å; F66-L485 HydrophobicContact CZ-CB 3.89Å; E481-L485 HydrophobicContact CG-CD1 4.1Å; E481-L485 WeakPolarHBondContact O-CG 3.4Å; E481-L485 PolarHBondContact O-N 3.25Å; L482-L485 PolarHBondContact O-N 3.29Å; Q483-L485 VanDerWaalsContact C-N 3.3Å; Q483-L485 PolarHBondContact O-N 3.3Å; L485-D489 PolarHBondContact O-N 2.92Å
486I94.2Very high92Very high0 Ų062.3 Ų62.30%030%0.302CS..Hα-helixtrans-68.6-46.1178.4-66.4161.8000111.1L16 L111 V114 L118 L482 Q483 A488 D489 I490 L501L16-I486 HydrophobicContact CD1-CG2 4.33Å; L16-I486 HydrophobicContact CD2-CD1 4.27Å; L16-I486 HydrophobicContact CD2-CG2 4.07Å; L111-I486 HydrophobicContact CD1-CG2 4.22Å; V114-I486 HydrophobicContact CB-CD1 4.23Å; V114-I486 HydrophobicContact CB-CG1 4.33Å; V114-I486 HydrophobicContact CG2-CD1 3.91Å; V114-I486 HydrophobicContact CG2-CG1 3.58Å; L118-I486 HydrophobicContact CB-CD1 4.05Å; L118-I486 HydrophobicContact CD2-CD1 3.83Å; L482-I486 WeakPolarHBondContact O-CD1 3.45Å; L482-I486 VanDerWaalsContact O-CG1 3.26Å; L482-I486 WeakPolarHBondContact O-CG1 3.32Å; L482-I486 PolarHBondContact O-N 3.27Å; Q483-I486 PolarHBondContact O-N 2.97Å; I486-A488 VanDerWaalsContact C-N 3.32Å; I486-A488 PolarHBondContact O-N 3.48Å; I486-D489 PolarHBondContact O-N 2.86Å; I486-I490 HydrophobicContact CG2-CD1 3.74Å; I486-I490 HydrophobicContact CG2-CG1 4.37Å; I486-I490 WeakPolarHBondContact O-CG1 3.5Å; I486-I490 PolarHBondContact O-N 3.2Å; I486-L501 HydrophobicContact CB-CD1 4.03Å; I486-L501 HydrophobicContact CG2-CD1 3.8Å
487E94.7Very high91.9Very high35 Ų3564.6 Ų64.616%0.16431%0.309CS..Hα-helixtrans-58.9-44.4177.6-73171.6173.200111.2Q483 S491 V499 L501Q483-E487 HydrophobicContact CG-CG 4.33Å; Q483-E487 VanDerWaalsContact CG-OE1 3.27Å; Q483-E487 WeakPolarHBondContact CG-OE1 3.33Å; Q483-E487 PolarHBondContact NE2-OE1 3.2Å; Q483-E487 WeakPolarHBondContact O-CB 3.15Å; Q483-E487 WeakPolarHBondContact O-CG 3.5Å; Q483-E487 PolarHBondContact O-N 3.39Å; E487-S491 WeakPolarHBondContact O-CB 3.26Å; E487-S491 PolarHBondContact O-N 3.44Å; E487-V499 HydrophobicContact CB-CB 4.38Å; E487-V499 HydrophobicContact CG-CG1 4.37Å; E487-V499 WeakPolarHBondContact CG-O 3.49Å; E487-L501 HydrophobicContact CG-CB 4.45Å; E487-L501 HydrophobicContact CG-CD1 4.17Å; E487-L501 HydrophobicContact CG-CG 3.74Å; E487-L501 PolarHBondContact OE1-N 3.08Å
488A94Very high91.8Very high47 Ų4766.2 Ų66.239%0.38831%0.314SS..Hα-helixtrans-64.6-39.8177.300000112.6K484 I486 K492K484-A488 VanDerWaalsContact O-CB 3.24Å; K484-A488 WeakPolarHBondContact O-CB 3.47Å; K484-A488 PolarHBondContact O-N 3.32Å; I486-A488 VanDerWaalsContact C-N 3.32Å; I486-A488 PolarHBondContact O-N 3.48Å; A488-K492 WeakPolarHBondContact O-CG 3.38Å; A488-K492 PolarHBondContact O-N 3.44Å; A488-K492 VanDerWaalsContact O-N 3.15Å
489D93.2Very high92.1Very high21 Ų2162.6 Ų62.611%0.11230%0.301CS..Hα-helixtrans-66.4-47.5178-163.9-96.1000111.8Y110 L111 L485 I486 S491 K492 R493Y110-D489 PolarHBondContact OH-OD1 3.33Å; Y110-D489 PolarHBondContact OH-OD2 3.3Å; L111-D489 HydrophobicContact CD1-CB 4.38Å; L485-D489 PolarHBondContact O-N 2.92Å; I486-D489 PolarHBondContact O-N 2.86Å; D489-S491 VanDerWaalsContact C-N 3.34Å; D489-S491 PolarHBondContact O-N 2.82Å; D489-K492 PolarHBondContact O-N 3.29Å; D489-R493 WeakPolarHBondContact O-CG 3.47Å; D489-R493 PolarHBondContact O-N 3.32Å; D489-R493 IonicContact OD1-CZ 3.43Å; D489-R493 IonicContact OD1-NE 3.65Å; D489-R493 PolarHBondContact OD1-NE 3.18Å; D489-R493 IonicContact OD1-NH2 3.16Å; D489-R493 PolarHBondContact OD1-NH2 3.43Å; D489-R493 VanDerWaalsContact OD1-NH2 3.16Å
490I93.3Very high92.1Very high1 Ų165.6 Ų65.61%0.00532%0.317CS..Hα-helixtrans-62.8-44.1176.8-62.5172.8000109.6I11 L16 W19 L20 I486 K492 R493 Y494 V499I11-I490 HydrophobicContact CD1-CD1 3.93Å; L16-I490 HydrophobicContact CD1-CD1 4.03Å; W19-I490 HydrophobicContact CH2-CG2 3.73Å; W19-I490 HydrophobicContact CZ3-CD1 4.2Å; W19-I490 HydrophobicContact CZ3-CG2 3.98Å; L20-I490 HydrophobicContact CD2-CD1 4.16Å; L20-I490 HydrophobicContact CD2-CG1 4.34Å; I486-I490 HydrophobicContact CG2-CD1 3.74Å; I486-I490 HydrophobicContact CG2-CG1 4.37Å; I486-I490 WeakPolarHBondContact O-CG1 3.5Å; I486-I490 PolarHBondContact O-N 3.2Å; I490-K492 VanDerWaalsContact C-N 3.32Å; I490-K492 PolarHBondContact O-N 3.45Å; I490-R493 WeakPolarHBondContact O-CB 3.31Å; I490-R493 PolarHBondContact O-N 2.87Å; I490-Y494 HydrophobicContact CG2-CD2 3.86Å; I490-Y494 HydrophobicContact CG2-CE2 3.98Å; I490-Y494 VanDerWaalsContact O-CD2 3.3Å; I490-Y494 WeakPolarHBondContact O-CD2 3.35Å; I490-Y494 PolarHBondContact O-N 2.82Å; I490-V499 HydrophobicContact CB-CG1 4.23Å; I490-V499 HydrophobicContact CB-CG2 4.13Å; I490-V499 HydrophobicContact CG2-CG1 4.06Å; I490-V499 HydrophobicContact CG2-CG2 3.8Å
491S93.1Very high92.1Very high21 Ų2159 Ų5915%0.14729%0.292CS..Hα-helixtrans-55.8-45.2179.9-177.90000112.3E487 D489 R493 Y494 N496 R497E487-S491 WeakPolarHBondContact O-CB 3.26Å; E487-S491 PolarHBondContact O-N 3.44Å; D489-S491 VanDerWaalsContact C-N 3.34Å; D489-S491 PolarHBondContact O-N 2.82Å; S491-R493 VanDerWaalsContact C-N 3.27Å; S491-R493 PolarHBondContact O-N 3.3Å; S491-Y494 CarbonylContact O-C 3.46Å; S491-Y494 PolarHBondContact O-N 3.35Å; S491-N496 VanDerWaalsContact O-CA 3.3Å; S491-N496 WeakPolarHBondContact O-CA 3.1Å; S491-N496 PolarHBondContact O-N 3.32Å; S491-N496 WeakPolarHBondContact OG-CA 3.32Å; S491-R497 VanDerWaalsContact CB-O 3.26Å; S491-R497 WeakPolarHBondContact CB-O 3.46Å; S491-R497 PolarHBondContact OG-O 2.83Å
492K92.5Very high92.2Very high149 Ų14957.8 Ų57.865%0.64829%0.288SS*.Hα-helixtrans-58.4-37.6176.6-73.6171.5-175.1175.40112.5A488 D489 I490 Y494A488-K492 WeakPolarHBondContact O-CG 3.38Å; A488-K492 PolarHBondContact O-N 3.44Å; A488-K492 VanDerWaalsContact O-N 3.15Å; D489-K492 PolarHBondContact O-N 3.29Å; I490-K492 VanDerWaalsContact C-N 3.32Å; I490-K492 PolarHBondContact O-N 3.45Å; K492-Y494 PolarHBondContact O-N 2.9Å
493R90.3Very high91.9Very high83 Ų8359.4 Ų59.431%0.31331%0.306SS..Hα-helixtrans-70.5-15.8178-62.9170.1-173.9-88.8-2.6113.2N108 Y110 D489 I490 S491N108-R493 PolarHBondContact ND2-NH1 3.05Å; N108-R493 PolarHBondContact OD1-NH1 3.33Å; N108-R493 PolarHBondContact OD1-NH2 3.44Å; Y110-R493 PolarHBondContact OH-NH2 3.48Å; D489-R493 WeakPolarHBondContact O-CG 3.47Å; D489-R493 PolarHBondContact O-N 3.32Å; D489-R493 IonicContact OD1-CZ 3.43Å; D489-R493 IonicContact OD1-NE 3.65Å; D489-R493 PolarHBondContact OD1-NE 3.18Å; D489-R493 IonicContact OD1-NH2 3.16Å; D489-R493 PolarHBondContact OD1-NH2 3.43Å; D489-R493 VanDerWaalsContact OD1-NH2 3.16Å; I490-R493 WeakPolarHBondContact O-CB 3.31Å; I490-R493 PolarHBondContact O-N 2.87Å; S491-R493 VanDerWaalsContact C-N 3.27Å; S491-R493 PolarHBondContact O-N 3.3Å
494Y90.1Very high91.3Very high57 Ų5758.5 Ų58.522%0.22430%0.303CS..THydrogen-bonded Turntrans-119.242.6-179.1-71.8-81000112.3I9 W19 R23 H25 I490 S491 K492 N496 R497I9-Y494 HydrophobicContact CD1-CD1 4.02Å; I9-Y494 HydrophobicContact CD1-CD2 3.85Å; I9-Y494 HydrophobicContact CD1-CE2 4.48Å; I9-Y494 HydrophobicContact CD1-CG 3.61Å; W19-Y494 AromaticContact CH2-CE2 3.63Å; W19-Y494 HydrophobicContact CH2-CE2 3.63Å; W19-Y494 HydrophobicContact CZ2-CE2 4.48Å; W19-Y494 HydrophobicContact CZ3-CE2 4.46Å; R23-Y494 WeakPolarHBondContact CD-OH 3.43Å; H25-Y494 AromaticContact CE1-CE2 3.95Å; H25-Y494 AromaticContact NE2-CE2 3.5Å; H25-Y494 AromaticContact NE2-CZ 3.5Å; H25-Y494 PolarHBondContact NE2-OH 3.2Å; I490-Y494 HydrophobicContact CG2-CD2 3.86Å; I490-Y494 HydrophobicContact CG2-CE2 3.98Å; I490-Y494 VanDerWaalsContact O-CD2 3.3Å; I490-Y494 WeakPolarHBondContact O-CD2 3.35Å; I490-Y494 PolarHBondContact O-N 2.82Å; S491-Y494 CarbonylContact O-C 3.46Å; S491-Y494 PolarHBondContact O-N 3.35Å; K492-Y494 PolarHBondContact O-N 2.9Å; Y494-N496 VanDerWaalsContact C-N 3.3Å; Y494-N496 PolarHBondContact O-N 3.24Å; Y494-R497 VanDerWaalsContact O-CB 3.32Å; Y494-R497 WeakPolarHBondContact O-CB 3.48Å; Y494-R497 WeakPolarHBondContact O-CD 3.28Å; Y494-R497 WeakPolarHBondContact O-CG 3.49Å; Y494-R497 PolarHBondContact O-N 3.45Å; Y494-R497 VanDerWaalsContact O-N 3.15Å
495N88.4Confident90.6Very high144 Ų14457.6 Ų57.677%0.7731%0.305SS*.THydrogen-bonded Turntrans55.939.7176.6-57.9-36000113.7R497N495-R497 VanDerWaalsContact C-N 3.25Å; N495-R497 PolarHBondContact O-N 2.89Å
496N88.1Confident89.7Confident125 Ų12557.4 Ų57.467%0.66830%0.304SS*.THydrogen-bonded Turntrans60.529.7-178.2-56-48.4000114.3S491 Y494S491-N496 VanDerWaalsContact O-CA 3.3Å; S491-N496 WeakPolarHBondContact O-CA 3.1Å; S491-N496 PolarHBondContact O-N 3.32Å; S491-N496 WeakPolarHBondContact OG-CA 3.32Å; Y494-N496 VanDerWaalsContact C-N 3.3Å; Y494-N496 PolarHBondContact O-N 3.24Å
497R90.3Very high89.5Confident59 Ų5960.3 Ų60.322%0.22332%0.319CS..  trans-64.4143.1170.2-78.2177.665.9-167.3-0.7110.9Q5 L7 I9 S491 Y494 N495 V499Q5-R497 WeakPolarHBondContact O-CG 3.48Å; L7-R497 PolarHBondContact O-NE 2.99Å; L7-R497 PolarHBondContact O-NH2 3.32Å; I9-R497 HydrophobicContact CD1-CB 4.37Å; S491-R497 VanDerWaalsContact CB-O 3.26Å; S491-R497 WeakPolarHBondContact CB-O 3.46Å; S491-R497 PolarHBondContact OG-O 2.83Å; Y494-R497 VanDerWaalsContact O-CB 3.32Å; Y494-R497 WeakPolarHBondContact O-CB 3.48Å; Y494-R497 WeakPolarHBondContact O-CD 3.28Å; Y494-R497 WeakPolarHBondContact O-CG 3.49Å; Y494-R497 PolarHBondContact O-N 3.45Å; Y494-R497 VanDerWaalsContact O-N 3.15Å; N495-R497 VanDerWaalsContact C-N 3.25Å; N495-R497 PolarHBondContact O-N 2.89Å; R497-V499 PolarHBondContact O-N 3.35Å
498P89.5Confident89.2Confident62 Ų6261.6 Ų61.640%0.40333%0.327SS..  trans-62.7134.8175.220.9-25.4000110.3P8 I9P8-P498 CarbonylContact C-O 3.56Å; P8-P498 VanDerWaalsContact CA-O 3.32Å; P8-P498 WeakPolarHBondContact CA-O 3.35Å; P8-P498 HydrophobicContact CB-CB 4.33Å; P8-P498 HydrophobicContact CB-CG 4.12Å; I9-P498 PolarHBondContact N-O 3.24Å
499V92.8Very high88.9Confident8 Ų862.4 Ų62.45%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-124.4130.2178-178.40000107.8I9 I11 E487 I490 R497I9-V499 HydrophobicContact CB-CG2 4.2Å; I9-V499 HydrophobicContact CD1-CG2 4.37Å; I9-V499 CarbonylContact O-C 3.58Å; I9-V499 WeakPolarHBondContact O-CA 3.42Å; I11-V499 HydrophobicContact CD1-CG1 4.12Å; E487-V499 HydrophobicContact CB-CB 4.38Å; E487-V499 HydrophobicContact CG-CG1 4.37Å; E487-V499 WeakPolarHBondContact CG-O 3.49Å; I490-V499 HydrophobicContact CB-CG1 4.23Å; I490-V499 HydrophobicContact CB-CG2 4.13Å; I490-V499 HydrophobicContact CG2-CG1 4.06Å; I490-V499 HydrophobicContact CG2-CG2 3.8Å; R497-V499 PolarHBondContact O-N 3.35Å
500N93Very high88.7Confident65 Ų6564.8 Ų64.835%0.34834%0.336SS..EExtended strand (participates in β ladder)trans-122.2125.1176.6-52.2-56.5000110.1I9 D10 I11 M502I9-N500 PolarHBondContact O-N 3.42Å; D10-N500 WeakPolarHBondContact CA-O 3.48Å; D10-N500 WeakPolarHBondContact OD1-CB 3.35Å; D10-N500 PolarHBondContact OD1-ND2 3.09Å; I11-N500 PolarHBondContact N-O 3.35Å; N500-M502 HydrophobicContact CB-SD 4.1Å
501L93.5Very high88.4Confident6 Ų668.8 Ų68.83%0.03136%0.357CS..EExtended strand (participates in β ladder)trans-87.3112.4168.7-61.3-177.3000109.8I11 L16 L118 Q483 I486 E487 V504I11-L501 HydrophobicContact CB-CD2 3.88Å; I11-L501 HydrophobicContact CD1-CD2 4.33Å; I11-L501 HydrophobicContact CG2-CD2 4.41Å; I11-L501 CarbonylContact O-C 3.6Å; I11-L501 WeakPolarHBondContact O-CA 3.44Å; L16-L501 HydrophobicContact CD1-CD2 3.76Å; L16-L501 HydrophobicContact CD2-CD1 4.07Å; L16-L501 HydrophobicContact CD2-CD2 4.29Å; L118-L501 HydrophobicContact CD2-CD1 3.49Å; L118-L501 VanDerWaalsContact CD2-CD1 3.49Å; Q483-L501 HydrophobicContact CG-CB 4.23Å; Q483-L501 HydrophobicContact CG-CD1 4.24Å; Q483-L501 PolarHBondContact NE2-O 3Å; I486-L501 HydrophobicContact CB-CD1 4.03Å; I486-L501 HydrophobicContact CG2-CD1 3.8Å; E487-L501 HydrophobicContact CG-CB 4.45Å; E487-L501 HydrophobicContact CG-CD1 4.17Å; E487-L501 HydrophobicContact CG-CG 3.74Å; E487-L501 PolarHBondContact OE1-N 3.08Å; L501-V504 HydrophobicContact CB-CG2 3.91Å
502M91.3Very high88.1Confident92 Ų9272 Ų7245%0.45337%0.371SS..EExtended strand (participates in β ladder)trans-89.1132.9-175.6-58.4-57-70.400111D10 I11 Q12 T13 N500D10-M502 HydrophobicContact CB-CG 4.2Å; I11-M502 PolarHBondContact O-N 3.31Å; Q12-M502 PolarHBondContact OE1-O 3.42Å; T13-M502 PolarHBondContact N-O 2.97Å; T13-M502 PolarHBondContact OG1-O 3.46Å; N500-M502 HydrophobicContact CB-SD 4.1Å
503G85.4Confident87.8Confident40 Ų4066.5 Ų66.541%0.41235%0.351SS..THydrogen-bonded Turntrans92.416176.800000115.3V122 N505V122-G503 VanDerWaalsContact CG1-O 3.24Å; V122-G503 WeakPolarHBondContact CG1-O 3.42Å; G503-N505 PolarHBondContact O-N 2.88Å
504V83.4Confident87.6Confident19 Ų1965.2 Ų65.212%0.11535%0.354CS..  trans-78.582.4174.7-172.90000110.2T13 L118 V122 T479 Q483 L501T13-V504 HydrophobicContact CG2-CG2 4.33Å; T13-V504 WeakPolarHBondContact OG1-CG2 3.49Å; L118-V504 HydrophobicContact CD1-CG1 4.11Å; L118-V504 HydrophobicContact CD2-CG2 4.32Å; V122-V504 HydrophobicContact CG2-CB 4.46Å; V122-V504 HydrophobicContact CG2-CG1 3.97Å; T479-V504 HydrophobicContact CG2-CG1 3.65Å; Q483-V504 HydrophobicContact CB-CG1 4.34Å; Q483-V504 HydrophobicContact CG-CG2 4.27Å; L501-V504 HydrophobicContact CB-CG2 3.91Å
505N79.7Confident87.4Confident126 Ų12665.9 Ų65.967%0.67437%0.365SS*.  trans-126.5127.3174.7-75-30.6000111.1G503G503-N505 PolarHBondContact O-N 2.88Å
506I73.2Confident87.3Confident45 Ų4558.8 Ų58.823%0.23133%0.328CS..  trans-120.80171.9-61.5-168.2000108.9N121 V122 R130 V472 L475 A476 T479N121-I506 HydrophobicContact CB-CD1 3.89Å; V122-I506 HydrophobicContact CG2-CG1 4.48Å; R130-I506 VanDerWaalsContact CD-OXT 3.24Å; R130-I506 WeakPolarHBondContact CD-OXT 3.4Å; R130-I506 VanDerWaalsContact NH1-CA 3.28Å; R130-I506 PolarHBondContact NH1-OXT 3.25Å; V472-I506 HydrophobicContact CG1-CG2 4.38Å; L475-I506 HydrophobicContact CD2-CD1 4.1Å; L475-I506 HydrophobicContact CD2-CG2 4.16Å; L475-I506 HydrophobicContact CG-CD1 3.81Å; L475-I506 HydrophobicContact CG-CG2 4.36Å; A476-I506 HydrophobicContact CB-CB 4.11Å; A476-I506 HydrophobicContact CB-CG2 4.09Å; T479-I506 VanDerWaalsContact CB-CD1 3.41Å; T479-I506 HydrophobicContact CG2-CD1 3.47Å; T479-I506 VanDerWaalsContact CG2-CD1 3.47Å; T479-I506 HydrophobicContact CG2-CG1 4.06Å; T479-I506 WeakPolarHBondContact OG1-CD1 3.3Å

Retrieved 506 of 506 residues in 143.4 ms (Link to these results)

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