A0A087Y4W7_POEFO Loading...

NADPH oxidase 5

AlphaFold DB , UniProt , Accession A0A087Y4W7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 783 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
1M49.8Very low66Low157 Ų15791.7 Ų91.777%0.77347%0.473SS*.  01680-83.9160.458.100108.3E5 D6M1-E5 HydrophobicContact CB-CB 4.09Å; M1-E5 WeakPolarHBondContact CB-OE2 3.5Å; M1-E5 HydrophobicContact CE-CB 3.66Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; M1-D6 VanDerWaalsContact CB-OD1 3.3Å; M1-D6 WeakPolarHBondContact CB-OD1 3.41Å
2S52.5Low67.1Low61 Ų6188.8 Ų88.843%0.42745%0.451SS..  trans-75.4150.6173.772.50000110.3D4 E5 D6S2-D4 PolarHBondContact O-N 2.78Å; S2-E5 PolarHBondContact N-OE2 3.5Å; S2-E5 WeakPolarHBondContact O-CA 3.37Å; S2-E5 WeakPolarHBondContact O-CB 3.27Å; S2-E5 PolarHBondContact O-N 2.74Å; S2-D6 PolarHBondContact O-N 3.3Å
3V60.9Low67.7Low123 Ų12382 Ų8275%0.74542%0.417SS*.Hα-helixtrans-51.4-30.2179.9179.10000112.9S7V3-S7 PolarHBondContact O-N 3.36Å; V3-S7 PolarHBondContact O-OG 3.43Å
4D63.7Low68.7Low100 Ų10078.9 Ų78.954%0.53540%0.403SS..Hα-helixtrans-77.4-24.4178.4-172.152.6000113.6S2 R8S2-D4 PolarHBondContact O-N 2.78Å; D4-R8 WeakPolarHBondContact O-CG 3.49Å; D4-R8 PolarHBondContact O-NE 3.31Å; D4-R8 IonicContact OD2-CZ 3.1Å; D4-R8 IonicContact OD2-NE 2.69Å; D4-R8 IonicContact OD2-NH2 2.82Å; D4-R8 PolarHBondContact OD2-NH2 3.46Å
5E64Low69.6Low84 Ų8482.8 Ų82.839%0.39342%0.417SS..Hα-helixtrans-78-37.6171.4-73.6175.7146.200111.8M1 S2 R8 W9M1-E5 HydrophobicContact CB-CB 4.09Å; M1-E5 WeakPolarHBondContact CB-OE2 3.5Å; M1-E5 HydrophobicContact CE-CB 3.66Å; M1-E5 WeakPolarHBondContact CG-OE2 3.34Å; S2-E5 PolarHBondContact N-OE2 3.5Å; S2-E5 WeakPolarHBondContact O-CA 3.37Å; S2-E5 WeakPolarHBondContact O-CB 3.27Å; S2-E5 PolarHBondContact O-N 2.74Å; E5-R8 PolarHBondContact O-N 2.77Å; E5-W9 WeakPolarHBondContact O-CB 3Å; E5-W9 PolarHBondContact O-N 2.63Å
6D64.6Low70.1Confident41 Ų4181.6 Ų81.622%0.21941%0.409CS..Hα-helixtrans-67.3-39.4179.6-64.6-13.7000111.4M1 S2 R8 W9 L10M1-D6 VanDerWaalsContact CB-OD1 3.3Å; M1-D6 WeakPolarHBondContact CB-OD1 3.41Å; S2-D6 PolarHBondContact O-N 3.3Å; D6-R8 PolarHBondContact O-N 2.98Å; D6-W9 PolarHBondContact O-N 3.01Å; D6-L10 WeakPolarHBondContact O-CG 3.36Å; D6-L10 PolarHBondContact O-N 3.04Å
7S71.6Confident70.8Confident59 Ų5977.2 Ų77.241%0.41339%0.387SS..Hα-helixtrans-61.5-43.7175-52.60000111.7V3 L10 E11V3-S7 PolarHBondContact O-N 3.36Å; V3-S7 PolarHBondContact O-OG 3.43Å; S7-L10 PolarHBondContact O-N 3.42Å; S7-E11 PolarHBondContact O-N 3.49Å; S7-E11 VanDerWaalsContact O-N 3.11Å
8R72.1Confident71.4Confident136 Ų13679.6 Ų79.651%0.51340%0.397SS..Hα-helixtrans-68.5-34.4177-78.3-177.6-83.4164.4-10.2112.7D4 E5 D6 W12D4-R8 WeakPolarHBondContact O-CG 3.49Å; D4-R8 PolarHBondContact O-NE 3.31Å; D4-R8 IonicContact OD2-CZ 3.1Å; D4-R8 IonicContact OD2-NE 2.69Å; D4-R8 IonicContact OD2-NH2 2.82Å; D4-R8 PolarHBondContact OD2-NH2 3.46Å; E5-R8 PolarHBondContact O-N 2.77Å; D6-R8 PolarHBondContact O-N 2.98Å; R8-W12 WeakPolarHBondContact O-CB 3.34Å; R8-W12 PolarHBondContact O-N 2.97Å; R8-W12 VanDerWaalsContact O-N 3.15Å
9W73.5Confident72.1Confident24 Ų2480.8 Ų80.89%0.09141%0.409CS..Hα-helixtrans-66.8-46.6175.3174.576.1000111.2E5 D6 E11 W12 V13 L68 I72 L166E5-W9 WeakPolarHBondContact O-CB 3Å; E5-W9 PolarHBondContact O-N 2.63Å; D6-W9 PolarHBondContact O-N 3.01Å; W9-E11 PolarHBondContact O-N 3.24Å; W9-W12 WeakPolarHBondContact O-CB 3.4Å; W9-W12 PolarHBondContact O-N 3.36Å; W9-W12 VanDerWaalsContact O-N 3.14Å; W9-V13 HydrophobicContact CD2-CG2 4.09Å; W9-V13 VanDerWaalsContact CE2-CG2 3.45Å; W9-V13 HydrophobicContact CH2-CG2 4.2Å; W9-V13 HydrophobicContact CZ2-CG2 3.49Å; W9-V13 VanDerWaalsContact CZ2-CG2 3.49Å; W9-V13 WeakPolarHBondContact O-CG2 3.36Å; W9-V13 PolarHBondContact O-N 3.1Å; W9-L68 HydrophobicContact CH2-CB 4.01Å; W9-L68 HydrophobicContact CZ2-CB 4.33Å; W9-L68 HydrophobicContact CZ2-CD1 4.5Å; W9-I72 HydrophobicContact CD2-CD1 4.44Å; W9-I72 HydrophobicContact CH2-CD1 3.43Å; W9-I72 VanDerWaalsContact CH2-CD1 3.43Å; W9-I72 HydrophobicContact CZ2-CD1 2.99Å; W9-I72 HydrophobicContact CZ2-CG1 4.49Å; W9-I72 HydrophobicContact CZ3-CD1 4.29Å; W9-L166 PolarHBondContact NE1-O 3.39Å; W9-L166 VanDerWaalsContact NE1-O 3.17Å
10L74.1Confident72.5Confident78 Ų7878.8 Ų78.841%0.40840%0.399SS..Hα-helixtrans-58.9-47.3176.3-75.5168.2000112.2D6 S7 W12 V13 T14 L65D6-L10 WeakPolarHBondContact O-CG 3.36Å; D6-L10 PolarHBondContact O-N 3.04Å; S7-L10 PolarHBondContact O-N 3.42Å; L10-W12 VanDerWaalsContact C-N 3.25Å; L10-W12 PolarHBondContact O-N 3.37Å; L10-V13 PolarHBondContact O-N 3.1Å; L10-T14 PolarHBondContact O-N 3.3Å; L10-T14 PolarHBondContact O-OG1 3.27Å; L10-L65 HydrophobicContact CD2-CD2 3.88Å
11E78.8Confident73Confident146 Ų14675 Ų7568%0.68238%0.38SS*.Hα-helixtrans-58-39.3175.4-78-176.2171.800112.4S7 W9 K15S7-E11 PolarHBondContact O-N 3.49Å; S7-E11 VanDerWaalsContact O-N 3.11Å; W9-E11 PolarHBondContact O-N 3.24Å; E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 PolarHBondContact O-N 3.05Å; E11-K15 VanDerWaalsContact O-N 3.15Å
12W79.2Confident74.4Confident57 Ų5769.5 Ų69.522%0.21636%0.363CS..Hα-helixtrans-68.6-43.4178.7-178.193000111.8R8 W9 L10 K15 Q16 L166 P168R8-W12 WeakPolarHBondContact O-CB 3.34Å; R8-W12 PolarHBondContact O-N 2.97Å; R8-W12 VanDerWaalsContact O-N 3.15Å; W9-W12 WeakPolarHBondContact O-CB 3.4Å; W9-W12 PolarHBondContact O-N 3.36Å; W9-W12 VanDerWaalsContact O-N 3.14Å; L10-W12 VanDerWaalsContact C-N 3.25Å; L10-W12 PolarHBondContact O-N 3.37Å; W12-K15 PolarHBondContact O-N 2.83Å; W12-Q16 HydrophobicContact CD2-CG 4.04Å; W12-Q16 HydrophobicContact CE3-CG 4.01Å; W12-Q16 HydrophobicContact CH2-CG 3.54Å; W12-Q16 HydrophobicContact CZ2-CG 3.6Å; W12-Q16 HydrophobicContact CZ3-CB 4.46Å; W12-Q16 HydrophobicContact CZ3-CG 3.7Å; W12-Q16 WeakPolarHBondContact O-CG 3.17Å; W12-Q16 PolarHBondContact O-N 3.2Å; W12-L166 VanDerWaalsContact CH2-C 3.47Å; W12-L166 HydrophobicContact CH2-CD2 4.27Å; W12-L166 HydrophobicContact CZ3-CB 3.89Å; W12-L166 HydrophobicContact CZ3-CD2 3.69Å; W12-L166 HydrophobicContact CZ3-CG 4.37Å; W12-L166 WeakPolarHBondContact CZ3-O 3.34Å; W12-P168 HydrophobicContact CD2-CB 4.04Å; W12-P168 HydrophobicContact CG-CB 4.07Å
13V75.6Confident75.6Confident0 Ų074.7 Ų74.70%039%0.386CS..Hα-helixtrans-63.5-47.4178.4170.50000110.8W9 L10 K15 Q16 F17 L65 L68 L166W9-V13 HydrophobicContact CD2-CG2 4.09Å; W9-V13 VanDerWaalsContact CE2-CG2 3.45Å; W9-V13 HydrophobicContact CH2-CG2 4.2Å; W9-V13 HydrophobicContact CZ2-CG2 3.49Å; W9-V13 VanDerWaalsContact CZ2-CG2 3.49Å; W9-V13 WeakPolarHBondContact O-CG2 3.36Å; W9-V13 PolarHBondContact O-N 3.1Å; L10-V13 PolarHBondContact O-N 3.1Å; V13-K15 VanDerWaalsContact C-N 3.28Å; V13-K15 PolarHBondContact O-N 3.42Å; V13-Q16 PolarHBondContact O-N 2.94Å; V13-Q16 VanDerWaalsContact O-N 3.1Å; V13-F17 PolarHBondContact O-N 3.15Å; V13-L65 HydrophobicContact CG1-CD2 4Å; V13-L68 HydrophobicContact CG1-CD1 3.84Å; V13-L166 HydrophobicContact CG1-CD1 4.31Å; V13-L166 HydrophobicContact CG1-CD2 4.29Å; V13-L166 HydrophobicContact CG2-CB 4.28Å; V13-L166 HydrophobicContact CG2-CD2 4.36Å
14T81.8Confident76.5Confident38 Ų3873.8 Ų73.823%0.23338%0.377CS..Hα-helixtrans-57.8-42.5177.2-56.90000111.3L10 Q16 F17 E18 L61L10-T14 PolarHBondContact O-N 3.3Å; L10-T14 PolarHBondContact O-OG1 3.27Å; T14-Q16 PolarHBondContact O-N 2.66Å; T14-F17 WeakPolarHBondContact O-CB 3.42Å; T14-F17 PolarHBondContact O-N 2.65Å; T14-E18 WeakPolarHBondContact O-CG 3.49Å; T14-E18 PolarHBondContact O-N 3.03Å; T14-L61 HydrophobicContact CG2-CD1 4.49Å; T14-L61 HydrophobicContact CG2-CD2 4.06Å
15K81.4Confident77.6Confident138 Ų13876.4 Ų76.460%0.638%0.383SS*.Hα-helixtrans-66.3-36.3177.1-172.1176.5-176.7175.10113.1E11 W12 V13 T19E11-K15 WeakPolarHBondContact O-CB 3.42Å; E11-K15 PolarHBondContact O-N 3.05Å; E11-K15 VanDerWaalsContact O-N 3.15Å; W12-K15 PolarHBondContact O-N 2.83Å; V13-K15 VanDerWaalsContact C-N 3.28Å; V13-K15 PolarHBondContact O-N 3.42Å; K15-T19 PolarHBondContact O-N 3.42Å; K15-T19 PolarHBondContact O-OG1 2.79Å
16Q77.6Confident78.7Confident64 Ų6476.9 Ų76.930%0.29939%0.386SS..Hα-helixtrans-68.8-42.2174.1-69.4-47.7-84.500111.4W12 V13 T14 E18 T19 I20 L166W12-Q16 HydrophobicContact CD2-CG 4.04Å; W12-Q16 HydrophobicContact CE3-CG 4.01Å; W12-Q16 HydrophobicContact CH2-CG 3.54Å; W12-Q16 HydrophobicContact CZ2-CG 3.6Å; W12-Q16 HydrophobicContact CZ3-CB 4.46Å; W12-Q16 HydrophobicContact CZ3-CG 3.7Å; W12-Q16 WeakPolarHBondContact O-CG 3.17Å; W12-Q16 PolarHBondContact O-N 3.2Å; V13-Q16 PolarHBondContact O-N 2.94Å; V13-Q16 VanDerWaalsContact O-N 3.1Å; T14-Q16 PolarHBondContact O-N 2.66Å; Q16-E18 PolarHBondContact O-N 2.78Å; Q16-T19 WeakPolarHBondContact O-CB 3.43Å; Q16-T19 PolarHBondContact O-N 3.42Å; Q16-T19 VanDerWaalsContact O-N 3.11Å; Q16-I20 WeakPolarHBondContact O-CD1 3.19Å; Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.29Å; Q16-I20 VanDerWaalsContact O-N 3.15Å; Q16-L166 HydrophobicContact CB-CD2 4.06Å
17F82.1Confident79.7Confident6 Ų675 Ų753%0.02638%0.376CS..Hα-helixtrans-55.3-52.3174.6179.2-90.1000111.1V13 T14 T19 I20 A21 K25 I27 L61 L64V13-F17 PolarHBondContact O-N 3.15Å; T14-F17 WeakPolarHBondContact O-CB 3.42Å; T14-F17 PolarHBondContact O-N 2.65Å; F17-T19 PolarHBondContact O-N 3.06Å; F17-T19 VanDerWaalsContact O-N 3.15Å; F17-I20 PolarHBondContact O-N 3.22Å; F17-A21 HydrophobicContact CD1-CB 4.11Å; F17-A21 HydrophobicContact CE1-CB 3.73Å; F17-A21 HydrophobicContact CE2-CB 4.42Å; F17-A21 HydrophobicContact CZ-CB 3.91Å; F17-A21 VanDerWaalsContact O-CB 3.29Å; F17-A21 WeakPolarHBondContact O-CB 3.28Å; F17-A21 PolarHBondContact O-N 2.96Å; F17-K25 WeakPolarHBondContact CE1-O 3.37Å; F17-K25 WeakPolarHBondContact CZ-O 3.43Å; F17-I27 HydrophobicContact CD2-CD1 3.31Å; F17-I27 HydrophobicContact CD2-CG1 3.93Å; F17-I27 HydrophobicContact CE2-CD1 3.42Å; F17-I27 VanDerWaalsContact CE2-CD1 3.42Å; F17-I27 HydrophobicContact CE2-CG1 3.55Å; F17-I27 HydrophobicContact CG-CD1 4.27Å; F17-I27 HydrophobicContact CZ-CD1 4.4Å; F17-I27 HydrophobicContact CZ-CG1 4.12Å; F17-L61 HydrophobicContact CB-CD1 3.87Å; F17-L61 HydrophobicContact CD1-CB 3.97Å; F17-L61 HydrophobicContact CD1-CD1 3.74Å; F17-L61 HydrophobicContact CD1-CG 4.32Å; F17-L61 HydrophobicContact CD2-CD1 4.13Å; F17-L61 HydrophobicContact CE1-CB 3.68Å; F17-L61 HydrophobicContact CE1-CD1 4.34Å; F17-L61 HydrophobicContact CE2-CB 4.32Å; F17-L61 HydrophobicContact CG-CB 4.44Å; F17-L61 HydrophobicContact CG-CD1 3.63Å; F17-L61 HydrophobicContact CZ-CB 3.87Å; F17-L61 VanDerWaalsContact CZ-N 3.28Å; F17-L64 HydrophobicContact CB-CD2 4.39Å; F17-L64 HydrophobicContact CD2-CD2 3.47Å; F17-L64 VanDerWaalsContact CD2-CD2 3.47Å; F17-L64 HydrophobicContact CE2-CD2 4.21Å; F17-L64 HydrophobicContact CG-CD2 4.36Å
18E82.9Confident80.6Confident121 Ų12175.2 Ų75.257%0.56537%0.372SS*.Hα-helixtrans-60.1-27.2177.8-71.8178.2166.400113.5T14 Q16T14-E18 WeakPolarHBondContact O-CG 3.49Å; T14-E18 PolarHBondContact O-N 3.03Å; Q16-E18 PolarHBondContact O-N 2.78Å
19T83.2Confident81.1Confident102 Ų10271.3 Ų71.363%0.62636%0.361SS*.Hα-helixtrans-76.1-29.3176.9-55.10000111.9K15 Q16 F17K15-T19 PolarHBondContact O-N 3.42Å; K15-T19 PolarHBondContact O-OG1 2.79Å; Q16-T19 WeakPolarHBondContact O-CB 3.43Å; Q16-T19 PolarHBondContact O-N 3.42Å; Q16-T19 VanDerWaalsContact O-N 3.11Å; F17-T19 PolarHBondContact O-N 3.06Å; F17-T19 VanDerWaalsContact O-N 3.15Å
20I80.8Confident81.6Confident40 Ų4075.1 Ų75.121%0.20538%0.383CS..Hα-helixtrans-89.8-47.2-176.1-64.6159.7000110.3Q16 F17 G22 I27 E31 A35 W165Q16-I20 WeakPolarHBondContact O-CD1 3.19Å; Q16-I20 WeakPolarHBondContact O-CG1 3.26Å; Q16-I20 PolarHBondContact O-N 3.29Å; Q16-I20 VanDerWaalsContact O-N 3.15Å; F17-I20 PolarHBondContact O-N 3.22Å; I20-G22 PolarHBondContact O-N 3Å; I20-G22 VanDerWaalsContact O-N 3.14Å; I20-I27 HydrophobicContact CB-CD1 4.22Å; I20-I27 HydrophobicContact CG2-CD1 3.9Å; I20-I27 HydrophobicContact CG2-CG1 4.11Å; I20-I27 HydrophobicContact CG2-CG2 4.21Å; I20-E31 HydrophobicContact CG2-CB 4.19Å; I20-A35 HydrophobicContact CD1-CB 3.61Å; I20-A35 HydrophobicContact CG1-CB 4.16Å; I20-A35 HydrophobicContact CG2-CB 4.03Å; I20-W165 HydrophobicContact CD1-CZ3 4.24Å
21A82.1Confident82.2Confident0 Ų073.7 Ų73.70%037%0.374CS..SBendtrans-76.711.6-174.300000115.1F17 K25 E26 I27F17-A21 HydrophobicContact CD1-CB 4.11Å; F17-A21 HydrophobicContact CE1-CB 3.73Å; F17-A21 HydrophobicContact CE2-CB 4.42Å; F17-A21 HydrophobicContact CZ-CB 3.91Å; F17-A21 VanDerWaalsContact O-CB 3.29Å; F17-A21 WeakPolarHBondContact O-CB 3.28Å; F17-A21 PolarHBondContact O-N 2.96Å; A21-K25 WeakPolarHBondContact O-CA 3.19Å; A21-K25 PolarHBondContact O-N 3.13Å; A21-E26 WeakPolarHBondContact CA-O 3.28Å; A21-E26 WeakPolarHBondContact CB-O 3.48Å; A21-I27 HydrophobicContact CB-CD1 4.48Å; A21-I27 HydrophobicContact CB-CG1 3.62Å
22G79.6Confident82.3Confident41 Ų4166.9 Ų66.942%0.42334%0.342SS..THydrogen-bonded Turntrans49.5-140.7174.700000116.8I20I20-G22 PolarHBondContact O-N 3Å; I20-G22 VanDerWaalsContact O-N 3.14Å
23D77.3Confident82.2Confident171 Ų17166 Ų6691%0.91434%0.34SS*.THydrogen-bonded Turntrans-87.3-20.8-178-72.3-37.6000112.7
24D81.3Confident82.3Confident103 Ų10371.2 Ų71.255%0.55137%0.372SS*.THydrogen-bonded Turntrans-85.5-12.7-178.948.1-12.3000113.7E26D24-E26 PolarHBondContact O-N 3.02Å
25K85.3Confident81.8Confident155 Ų15570.7 Ų70.767%0.67437%0.371SS*.THydrogen-bonded Turntrans59.921.9173.7-58.8-175.3175.1-174.40114.4F17 A21F17-K25 WeakPolarHBondContact CE1-O 3.37Å; F17-K25 WeakPolarHBondContact CZ-O 3.43Å; A21-K25 WeakPolarHBondContact O-CA 3.19Å; A21-K25 PolarHBondContact O-N 3.13Å
26E87.9Confident81.1Confident95 Ų9565.8 Ų65.844%0.44435%0.352SS..  trans-126.9146.4172.3-65.1-176.7-178.500107.5A21 D24 S58A21-E26 WeakPolarHBondContact CA-O 3.28Å; A21-E26 WeakPolarHBondContact CB-O 3.48Å; D24-E26 PolarHBondContact O-N 3.02Å; E26-S58 WeakPolarHBondContact OE2-CB 3.27Å; E26-S58 PolarHBondContact OE2-OG 3.09Å
27I86.6Confident80.4Confident1 Ų171.8 Ų71.81%0.00538%0.377CS..BIsolated β-bridgetrans-100.7115177.1-63.6-179.8000108.2F17 I20 A21 E31 F32 F48 I59F17-I27 HydrophobicContact CD2-CD1 3.31Å; F17-I27 HydrophobicContact CD2-CG1 3.93Å; F17-I27 HydrophobicContact CE2-CD1 3.42Å; F17-I27 VanDerWaalsContact CE2-CD1 3.42Å; F17-I27 HydrophobicContact CE2-CG1 3.55Å; F17-I27 HydrophobicContact CG-CD1 4.27Å; F17-I27 HydrophobicContact CZ-CD1 4.4Å; F17-I27 HydrophobicContact CZ-CG1 4.12Å; I20-I27 HydrophobicContact CB-CD1 4.22Å; I20-I27 HydrophobicContact CG2-CD1 3.9Å; I20-I27 HydrophobicContact CG2-CG1 4.11Å; I20-I27 HydrophobicContact CG2-CG2 4.21Å; A21-I27 HydrophobicContact CB-CD1 4.48Å; A21-I27 HydrophobicContact CB-CG1 3.62Å; I27-E31 WeakPolarHBondContact CA-OE2 3.38Å; I27-E31 HydrophobicContact CG2-CB 3.91Å; I27-F32 HydrophobicContact CG2-CB 3.75Å; I27-F32 HydrophobicContact CG2-CD2 4.28Å; I27-F48 WeakPolarHBondContact O-CE2 3.47Å; I27-I59 HydrophobicContact CB-CB 4.37Å; I27-I59 PolarHBondContact N-O 2.66Å; I27-I59 PolarHBondContact O-N 3.11Å
28D88.8Confident79.4Confident64 Ų6473.2 Ų73.234%0.34239%0.386SS..  trans-76.9172171.579.529.5000112.1D30 E31 F32D28-D30 VanDerWaalsContact C-N 3.28Å; D28-D30 PolarHBondContact O-N 3.34Å; D28-D30 WeakPolarHBondContact OD1-CA 3.37Å; D28-D30 PolarHBondContact OD1-N 2.85Å; D28-E31 PolarHBondContact N-OE2 3.2Å; D28-E31 PolarHBondContact O-N 3.19Å; D28-E31 WeakPolarHBondContact OD1-CG 3.38Å; D28-E31 PolarHBondContact OD1-N 3.34Å; D28-F32 VanDerWaalsContact O-CB 3.28Å; D28-F32 WeakPolarHBondContact O-CB 3.46Å; D28-F32 PolarHBondContact O-N 3.11Å
29I84.1Confident78.1Confident54 Ų5477.4 Ų77.428%0.27740%0.402SS..Hα-helixtrans-64.8-30.5-176.1-164.9165.3000113.8K33 E45 F48I29-K33 HydrophobicContact CG1-CD 4.34Å; I29-K33 WeakPolarHBondContact O-CB 3.24Å; I29-K33 WeakPolarHBondContact O-CD 3.46Å; I29-K33 WeakPolarHBondContact O-CG 3.28Å; I29-K33 PolarHBondContact O-N 3.14Å; I29-E45 HydrophobicContact CD1-CG 3.58Å; I29-F48 HydrophobicContact CB-CD2 4.12Å; I29-F48 HydrophobicContact CB-CE1 4.42Å; I29-F48 HydrophobicContact CB-CE2 3.99Å; I29-F48 HydrophobicContact CB-CG 4.38Å; I29-F48 HydrophobicContact CB-CZ 4.13Å; I29-F48 HydrophobicContact CD1-CD1 4.35Å; I29-F48 HydrophobicContact CD1-CG 4.31Å; I29-F48 HydrophobicContact CG1-CB 4.47Å; I29-F48 HydrophobicContact CG1-CD1 4.45Å; I29-F48 HydrophobicContact CG1-CD2 4.11Å; I29-F48 HydrophobicContact CG1-CE2 4.49Å; I29-F48 HydrophobicContact CG1-CG 4.08Å
30D83.9Confident77.1Confident103 Ų10376.9 Ų76.955%0.55139%0.393SS*.Hα-helixtrans-79.3-37.4-179.1-73.8-30.7000111D28 K33 T34D28-D30 VanDerWaalsContact C-N 3.28Å; D28-D30 PolarHBondContact O-N 3.34Å; D28-D30 WeakPolarHBondContact OD1-CA 3.37Å; D28-D30 PolarHBondContact OD1-N 2.85Å; D30-K33 PolarHBondContact O-N 2.9Å; D30-T34 WeakPolarHBondContact O-CB 3.24Å; D30-T34 PolarHBondContact O-N 2.83Å; D30-T34 PolarHBondContact O-OG1 3.37Å
31E85.5Confident76.3Confident49 Ų4977.2 Ų77.223%0.22940%0.398CS..Hα-helixtrans-63.3-44169.4-69.4178.215100111.1I20 I27 D28 T34 A35I20-E31 HydrophobicContact CG2-CB 4.19Å; I27-E31 WeakPolarHBondContact CA-OE2 3.38Å; I27-E31 HydrophobicContact CG2-CB 3.91Å; D28-E31 PolarHBondContact N-OE2 3.2Å; D28-E31 PolarHBondContact O-N 3.19Å; D28-E31 WeakPolarHBondContact OD1-CG 3.38Å; D28-E31 PolarHBondContact OD1-N 3.34Å; E31-T34 PolarHBondContact O-N 3.16Å; E31-A35 WeakPolarHBondContact O-CB 3.26Å; E31-A35 PolarHBondContact O-N 3.37Å
32F81Confident76.1Confident2 Ų278.9 Ų78.91%0.00941%0.406CS..Hα-helixtrans-61.4-46.8175.6-171-111.1000111.9I27 D28 T34 A35 L36 A44 F47 F48 F51 I59 W165I27-F32 HydrophobicContact CG2-CB 3.75Å; I27-F32 HydrophobicContact CG2-CD2 4.28Å; D28-F32 VanDerWaalsContact O-CB 3.28Å; D28-F32 WeakPolarHBondContact O-CB 3.46Å; D28-F32 PolarHBondContact O-N 3.11Å; F32-T34 VanDerWaalsContact C-N 3.3Å; F32-T34 PolarHBondContact O-N 3.35Å; F32-A35 PolarHBondContact O-N 3.01Å; F32-L36 HydrophobicContact CD1-CD1 3.83Å; F32-L36 HydrophobicContact CE1-CD1 3.38Å; F32-L36 HydrophobicContact CE1-CG 4.45Å; F32-L36 HydrophobicContact CE2-CD1 4.27Å; F32-L36 HydrophobicContact CG-CD1 4.45Å; F32-L36 HydrophobicContact CZ-CD1 3.63Å; F32-L36 HydrophobicContact CZ-CG 4.43Å; F32-L36 WeakPolarHBondContact O-CG 3.44Å; F32-L36 PolarHBondContact O-N 3.49Å; F32-A44 WeakPolarHBondContact CE1-O 2.93Å; F32-F47 HydrophobicContact CE1-CB 3.87Å; F32-F47 HydrophobicContact CZ-CB 3.97Å; F32-F48 HydrophobicContact CB-CD2 3.84Å; F32-F48 HydrophobicContact CB-CE2 4.23Å; F32-F48 HydrophobicContact CD1-CB 4.01Å; F32-F48 AromaticContact CD1-CD2 3.86Å; F32-F48 HydrophobicContact CD1-CD2 3.86Å; F32-F48 HydrophobicContact CD1-CG 4.46Å; F32-F48 HydrophobicContact CE1-CB 4.1Å; F32-F48 AromaticContact CG-CD2 3.87Å; F32-F48 HydrophobicContact CG-CD2 3.87Å; F32-F51 HydrophobicContact CE2-CD2 4.09Å; F32-F51 HydrophobicContact CE2-CE2 4.28Å; F32-F51 HydrophobicContact CZ-CD2 4.11Å; F32-F51 HydrophobicContact CZ-CE2 4.21Å; F32-I59 HydrophobicContact CD2-CD1 3.78Å; F32-I59 HydrophobicContact CE2-CD1 3.88Å; F32-I59 HydrophobicContact CG-CD1 4.2Å; F32-I59 HydrophobicContact CZ-CD1 4.36Å; F32-W165 HydrophobicContact CE2-CH2 4.42Å; F32-W165 HydrophobicContact CE2-CZ2 4.28Å
33K77.7Confident75.8Confident40 Ų4077 Ų7717%0.17439%0.386CS..Hα-helixtrans-59-41.7174.6-78.6167179.2171.70111.5I29 D30 K37 A44 E45I29-K33 HydrophobicContact CG1-CD 4.34Å; I29-K33 WeakPolarHBondContact O-CB 3.24Å; I29-K33 WeakPolarHBondContact O-CD 3.46Å; I29-K33 WeakPolarHBondContact O-CG 3.28Å; I29-K33 PolarHBondContact O-N 3.14Å; D30-K33 PolarHBondContact O-N 2.9Å; K33-K37 PolarHBondContact O-N 2.96Å; K33-A44 HydrophobicContact CG-CB 3.71Å; K33-E45 IonicContact NZ-OE1 3.76Å; K33-E45 PolarHBondContact NZ-OE1 3.29Å
34T77.2Confident75.6Confident109 Ų10968.9 Ų68.967%0.66934%0.343SS*.Hα-helixtrans-66.4-43.3178.9-60.60000111.7D30 E31 F32 L36 K37D30-T34 WeakPolarHBondContact O-CB 3.24Å; D30-T34 PolarHBondContact O-N 2.83Å; D30-T34 PolarHBondContact O-OG1 3.37Å; E31-T34 PolarHBondContact O-N 3.16Å; F32-T34 VanDerWaalsContact C-N 3.3Å; F32-T34 PolarHBondContact O-N 3.35Å; T34-L36 PolarHBondContact O-N 3.04Å; T34-K37 PolarHBondContact O-N 3.17Å
35A71.9Confident75.6Confident26 Ų2667.6 Ų67.622%0.21533%0.333CS..Hα-helixtrans-61.5-42.9177.300000112.3I20 E31 F32 K37 W165I20-A35 HydrophobicContact CD1-CB 3.61Å; I20-A35 HydrophobicContact CG1-CB 4.16Å; I20-A35 HydrophobicContact CG2-CB 4.03Å; E31-A35 WeakPolarHBondContact O-CB 3.26Å; E31-A35 PolarHBondContact O-N 3.37Å; F32-A35 PolarHBondContact O-N 3.01Å; A35-K37 VanDerWaalsContact C-N 3.25Å; A35-K37 PolarHBondContact O-N 3.27Å; A35-W165 HydrophobicContact CB-CE3 4.5Å; A35-W165 HydrophobicContact CB-CZ3 4.19Å
36L65.3Low75.4Confident36 Ų3662.2 Ų62.219%0.18831%0.309CS..Hα-helixtrans-74.4-10.8178-72.9178.1000114F32 T34 V38 W165F32-L36 HydrophobicContact CD1-CD1 3.83Å; F32-L36 HydrophobicContact CE1-CD1 3.38Å; F32-L36 HydrophobicContact CE1-CG 4.45Å; F32-L36 HydrophobicContact CE2-CD1 4.27Å; F32-L36 HydrophobicContact CG-CD1 4.45Å; F32-L36 HydrophobicContact CZ-CD1 3.63Å; F32-L36 HydrophobicContact CZ-CG 4.43Å; F32-L36 WeakPolarHBondContact O-CG 3.44Å; F32-L36 PolarHBondContact O-N 3.49Å; T34-L36 PolarHBondContact O-N 3.04Å; L36-V38 HydrophobicContact CB-CB 4.49Å; L36-V38 HydrophobicContact CB-CG1 4.13Å; L36-V38 HydrophobicContact CB-CG2 3.69Å; L36-V38 PolarHBondContact O-N 3.38Å; L36-V38 VanDerWaalsContact O-N 3.16Å; L36-W165 HydrophobicContact CD2-CB 4.2Å; L36-W165 VanDerWaalsContact CD2-CD1 3.43Å; L36-W165 HydrophobicContact CD2-CD2 3.54Å; L36-W165 HydrophobicContact CD2-CE3 4.27Å; L36-W165 HydrophobicContact CD2-CG 3.48Å; L36-W165 VanDerWaalsContact CD2-CG 3.48Å; L36-W165 HydrophobicContact CD2-CZ2 4.31Å
37K63.2Low74.9Confident189 Ų18958.4 Ų58.482%0.82229%0.291SS*.THydrogen-bonded Turntrans52.332.9-176.7-58.7177.4-176.6168.20113.1K33 T34 A35K33-K37 PolarHBondContact O-N 2.96Å; T34-K37 PolarHBondContact O-N 3.17Å; A35-K37 VanDerWaalsContact C-N 3.25Å; A35-K37 PolarHBondContact O-N 3.27Å
38V61.9Low74.8Confident37 Ų3759 Ų5922%0.22429%0.293CS..  trans-88.6141.2-179.5-78.20000110L36 A44L36-V38 HydrophobicContact CB-CB 4.49Å; L36-V38 HydrophobicContact CB-CG1 4.13Å; L36-V38 HydrophobicContact CB-CG2 3.69Å; L36-V38 PolarHBondContact O-N 3.38Å; L36-V38 VanDerWaalsContact O-N 3.16Å; V38-A44 HydrophobicContact CG2-CB 3.87Å
39K54.5Low74.6Confident208 Ų20858.9 Ų58.990%0.90430%0.301SS*.SBendtrans-89.5-24.9-176.8-72.3-176.1176.1-177.30113.7
40E62.2Low74.5Confident92 Ų9258.6 Ų58.643%0.4330%0.3SS..SBendtrans-124.4152.5-173-70.2-104.516400108.9E110E40-E110 HydrophobicContact CB-CG 4.14Å; E40-E110 HydrophobicContact CG-CG 4.49Å
41S65.3Low74.5Confident46 Ų4654.1 Ų54.132%0.32228%0.276SS..SBendtrans-91.9-25.8-162.475.60000114.8F43 A44 E45S41-F43 PolarHBondContact O-N 2.97Å; S41-A44 WeakPolarHBondContact O-CB 3.31Å; S41-A44 PolarHBondContact O-N 3.16Å; S41-A44 VanDerWaalsContact O-N 3.08Å; S41-E45 VanDerWaalsContact CB-CD 3.44Å; S41-E45 WeakPolarHBondContact CB-OE1 3.37Å; S41-E45 WeakPolarHBondContact O-CB 3.39Å; S41-E45 WeakPolarHBondContact O-CG 3.33Å; S41-E45 PolarHBondContact O-N 2.91Å; S41-E45 VanDerWaalsContact OG-CD 3.31Å; S41-E45 PolarHBondContact OG-OE1 3.08Å; S41-E45 PolarHBondContact OG-OE2 3.1Å
42F76.9Confident74.7Confident35 Ų3552.6 Ų52.615%0.15427%0.269CS..Hα-helixtrans-52.3-60.2-168.7-178.9-95.9000113.2A44 E45 R46 V89 T102 V103 S106F42-A44 VanDerWaalsContact C-N 3.32Å; F42-A44 PolarHBondContact O-N 2.98Å; F42-E45 PolarHBondContact O-N 3.33Å; F42-R46 HydrophobicContact CE1-CG 4.26Å; F42-R46 HydrophobicContact CZ-CG 4.31Å; F42-R46 WeakPolarHBondContact O-CG 3.27Å; F42-R46 PolarHBondContact O-N 2.97Å; F42-V89 HydrophobicContact CE2-CG2 4.49Å; F42-V89 HydrophobicContact CZ-CG2 4.08Å; F42-T102 HydrophobicContact CE2-CG2 3.95Å; F42-T102 HydrophobicContact CZ-CG2 4.32Å; F42-V103 HydrophobicContact CE1-CG2 4.02Å; F42-V103 HydrophobicContact CZ-CG2 3.97Å; F42-S106 WeakPolarHBondContact CG-OG 3.32Å
43F73.5Confident74.8Confident1 Ų157 Ų570%0.00430%0.3CS..Hα-helixtrans-67.5-32.4-179.7-75.9-74.2000113S41 R46 F47 V86 V103 C107 E110 K704S41-F43 PolarHBondContact O-N 2.97Å; F43-R46 PolarHBondContact O-N 3.28Å; F43-F47 HydrophobicContact CB-CD2 4.34Å; F43-F47 HydrophobicContact CB-CE2 3.9Å; F43-F47 HydrophobicContact CD1-CE2 4.42Å; F43-F47 HydrophobicContact CD1-CZ 4.41Å; F43-F47 WeakPolarHBondContact O-CD2 3.44Å; F43-F47 VanDerWaalsContact O-CG 3.32Å; F43-F47 WeakPolarHBondContact O-CG 3.32Å; F43-F47 PolarHBondContact O-N 3.35Å; F43-V86 HydrophobicContact CD1-CG1 3.98Å; F43-V86 HydrophobicContact CE1-CG1 4.01Å; F43-V103 HydrophobicContact CE1-CG1 4.31Å; F43-V103 HydrophobicContact CZ-CG1 3.94Å; F43-C107 VanDerWaalsContact CZ-SG 3.51Å; F43-E110 WeakPolarHBondContact CD2-OE1 3.4Å; F43-K704 HydrophobicContact CB-CD 4.04Å; F43-K704 HydrophobicContact CB-CG 4.41Å; F43-K704 HydrophobicContact CD1-CG 4.16Å; F43-K704 HydrophobicContact CD2-CB 4.27Å; F43-K704 HydrophobicContact CD2-CD 3.81Å; F43-K704 HydrophobicContact CD2-CG 4.12Å; F43-K704 HydrophobicContact CE1-CB 4.45Å; F43-K704 HydrophobicContact CE1-CG 4.49Å; F43-K704 HydrophobicContact CE2-CB 4.12Å; F43-K704 HydrophobicContact CE2-CD 4.43Å; F43-K704 HydrophobicContact CE2-CG 4.45Å; F43-K704 HydrophobicContact CG-CB 4.49Å; F43-K704 HydrophobicContact CG-CD 3.88Å; F43-K704 HydrophobicContact CG-CG 3.96Å; F43-K704 HydrophobicContact CZ-CB 4.22Å
44A74.1Confident75.3Confident1 Ų160.3 Ų60.31%0.00832%0.32CS..Hα-helixtrans-66-43177.800000111.1F32 K33 V38 S41 F42 F47 F48F32-A44 WeakPolarHBondContact CE1-O 2.93Å; K33-A44 HydrophobicContact CG-CB 3.71Å; V38-A44 HydrophobicContact CG2-CB 3.87Å; S41-A44 WeakPolarHBondContact O-CB 3.31Å; S41-A44 PolarHBondContact O-N 3.16Å; S41-A44 VanDerWaalsContact O-N 3.08Å; F42-A44 VanDerWaalsContact C-N 3.32Å; F42-A44 PolarHBondContact O-N 2.98Å; A44-F47 PolarHBondContact O-N 2.9Å; A44-F48 WeakPolarHBondContact O-CB 3.39Å; A44-F48 PolarHBondContact O-N 3.18Å
45E80.5Confident75.7Confident76 Ų7658.1 Ų58.136%0.35532%0.318SS..Hα-helixtrans-63.6-41.2175-80.9157.7-170.300111.4I29 K33 S41 F42 F48 A49I29-E45 HydrophobicContact CD1-CG 3.58Å; K33-E45 IonicContact NZ-OE1 3.76Å; K33-E45 PolarHBondContact NZ-OE1 3.29Å; S41-E45 VanDerWaalsContact CB-CD 3.44Å; S41-E45 WeakPolarHBondContact CB-OE1 3.37Å; S41-E45 WeakPolarHBondContact O-CB 3.39Å; S41-E45 WeakPolarHBondContact O-CG 3.33Å; S41-E45 PolarHBondContact O-N 2.91Å; S41-E45 VanDerWaalsContact OG-CD 3.31Å; S41-E45 PolarHBondContact OG-OE1 3.08Å; S41-E45 PolarHBondContact OG-OE2 3.1Å; F42-E45 PolarHBondContact O-N 3.33Å; E45-F48 PolarHBondContact O-N 3.33Å; E45-A49 WeakPolarHBondContact O-CB 3.42Å; E45-A49 PolarHBondContact O-N 2.96Å
46R80.7Confident76.5Confident43 Ų4360 Ų6016%0.16233%0.33CS..Hα-helixtrans-64.9-48.9174.7-65.9-58-60.7179.8-0.6112.4F42 F43 F48 A49 L50 Q85 V86 D88 V89F42-R46 HydrophobicContact CE1-CG 4.26Å; F42-R46 HydrophobicContact CZ-CG 4.31Å; F42-R46 WeakPolarHBondContact O-CG 3.27Å; F42-R46 PolarHBondContact O-N 2.97Å; F43-R46 PolarHBondContact O-N 3.28Å; R46-F48 VanDerWaalsContact C-N 3.26Å; R46-F48 PolarHBondContact O-N 3.21Å; R46-A49 PolarHBondContact O-N 3.2Å; R46-L50 VanDerWaalsContact O-CG 3.28Å; R46-L50 WeakPolarHBondContact O-CG 3.13Å; R46-L50 PolarHBondContact O-N 2.7Å; R46-Q85 PolarHBondContact NH2-O 3.22Å; R46-V86 HydrophobicContact CB-CG1 4.48Å; R46-V86 PolarHBondContact NE-O 3.2Å; R46-D88 PolarHBondContact NH2-O 3.01Å; R46-V89 PolarHBondContact NH1-O 3.28Å
47F78.9Confident77.5Confident15 Ų1560.4 Ų60.47%0.06634%0.343CS..Hα-helixtrans-62.6-38.2176.7-68-48.7000111.9F32 F43 A44 L50 F51 F82 V86 M703F32-F47 HydrophobicContact CE1-CB 3.87Å; F32-F47 HydrophobicContact CZ-CB 3.97Å; F43-F47 HydrophobicContact CB-CD2 4.34Å; F43-F47 HydrophobicContact CB-CE2 3.9Å; F43-F47 HydrophobicContact CD1-CE2 4.42Å; F43-F47 HydrophobicContact CD1-CZ 4.41Å; F43-F47 WeakPolarHBondContact O-CD2 3.44Å; F43-F47 VanDerWaalsContact O-CG 3.32Å; F43-F47 WeakPolarHBondContact O-CG 3.32Å; F43-F47 PolarHBondContact O-N 3.35Å; A44-F47 PolarHBondContact O-N 2.9Å; F47-L50 PolarHBondContact O-N 2.91Å; F47-F51 WeakPolarHBondContact O-CB 3.5Å; F47-F51 VanDerWaalsContact O-CD1 3.3Å; F47-F51 WeakPolarHBondContact O-CD1 3.45Å; F47-F51 VanDerWaalsContact O-CG 3.29Å; F47-F51 WeakPolarHBondContact O-CG 3.37Å; F47-F51 PolarHBondContact O-N 2.71Å; F47-F82 HydrophobicContact CD1-CE1 4Å; F47-F82 AromaticContact CD1-CZ 3.74Å; F47-F82 HydrophobicContact CD1-CZ 3.74Å; F47-F82 AromaticContact CE1-CE1 3.76Å; F47-F82 HydrophobicContact CE1-CE1 3.76Å; F47-F82 AromaticContact CE1-CZ 4Å; F47-F82 HydrophobicContact CE1-CZ 4Å; F47-V86 HydrophobicContact CD1-CG2 4.18Å; F47-V86 HydrophobicContact CE1-CG1 4.42Å; F47-V86 HydrophobicContact CE1-CG2 3.66Å; F47-M703 HydrophobicContact CD1-CE 4.4Å; F47-M703 HydrophobicContact CE1-CE 3.35Å; F47-M703 HydrophobicContact CE1-SD 4Å; F47-M703 HydrophobicContact CE2-CE 4.07Å; F47-M703 HydrophobicContact CZ-CE 3.18Å; F47-M703 HydrophobicContact CZ-SD 4.08Å
48F82.8Confident78.8Confident13 Ų1352.1 Ų52.16%0.05731%0.309CS..Hα-helixtrans-61.1-51.4176.5-170.9-85.3000110.9I27 I29 F32 A44 E45 R46 L50 F51 D52 G57 I59I27-F48 WeakPolarHBondContact O-CE2 3.47Å; I29-F48 HydrophobicContact CB-CD2 4.12Å; I29-F48 HydrophobicContact CB-CE1 4.42Å; I29-F48 HydrophobicContact CB-CE2 3.99Å; I29-F48 HydrophobicContact CB-CG 4.38Å; I29-F48 HydrophobicContact CB-CZ 4.13Å; I29-F48 HydrophobicContact CD1-CD1 4.35Å; I29-F48 HydrophobicContact CD1-CG 4.31Å; I29-F48 HydrophobicContact CG1-CB 4.47Å; I29-F48 HydrophobicContact CG1-CD1 4.45Å; I29-F48 HydrophobicContact CG1-CD2 4.11Å; I29-F48 HydrophobicContact CG1-CE2 4.49Å; I29-F48 HydrophobicContact CG1-CG 4.08Å; F32-F48 HydrophobicContact CB-CD2 3.84Å; F32-F48 HydrophobicContact CB-CE2 4.23Å; F32-F48 HydrophobicContact CD1-CB 4.01Å; F32-F48 AromaticContact CD1-CD2 3.86Å; F32-F48 HydrophobicContact CD1-CD2 3.86Å; F32-F48 HydrophobicContact CD1-CG 4.46Å; F32-F48 HydrophobicContact CE1-CB 4.1Å; F32-F48 AromaticContact CG-CD2 3.87Å; F32-F48 HydrophobicContact CG-CD2 3.87Å; A44-F48 WeakPolarHBondContact O-CB 3.39Å; A44-F48 PolarHBondContact O-N 3.18Å; E45-F48 PolarHBondContact O-N 3.33Å; R46-F48 VanDerWaalsContact C-N 3.26Å; R46-F48 PolarHBondContact O-N 3.21Å; F48-L50 VanDerWaalsContact C-N 3.25Å; F48-L50 PolarHBondContact O-N 2.99Å; F48-F51 PolarHBondContact O-N 2.94Å; F48-D52 HydrophobicContact CD1-CB 4.43Å; F48-D52 HydrophobicContact CE1-CB 4.27Å; F48-D52 WeakPolarHBondContact O-CB 3.38Å; F48-D52 PolarHBondContact O-N 2.94Å; F48-G57 WeakPolarHBondContact CZ-O 3.39Å; F48-I59 HydrophobicContact CD2-CD1 3.35Å; F48-I59 HydrophobicContact CD2-CG1 3.89Å; F48-I59 HydrophobicContact CE2-CD1 3.59Å; F48-I59 HydrophobicContact CE2-CG1 3.65Å; F48-I59 HydrophobicContact CG-CD1 4.04Å; F48-I59 HydrophobicContact CG-CG1 4.48Å; F48-I59 HydrophobicContact CZ-CD1 4.44Å; F48-I59 HydrophobicContact CZ-CG1 4.07Å
49A84.9Confident80.1Confident61 Ų6150.3 Ų50.350%0.50430%0.298SS..Hα-helixtrans-63.1-2817800000113.7E45 R46E45-A49 WeakPolarHBondContact O-CB 3.42Å; E45-A49 PolarHBondContact O-N 2.96Å; R46-A49 PolarHBondContact O-N 3.2Å
50L82.5Confident81.8Confident48 Ų4842.1 Ų42.125%0.25127%0.267SS..Hα-helixtrans-80.2-23.3174.9-68.6174.2000113.2R46 F47 F48 F82 Q85 V86R46-L50 VanDerWaalsContact O-CG 3.28Å; R46-L50 WeakPolarHBondContact O-CG 3.13Å; R46-L50 PolarHBondContact O-N 2.7Å; F47-L50 PolarHBondContact O-N 2.91Å; F48-L50 VanDerWaalsContact C-N 3.25Å; F48-L50 PolarHBondContact O-N 2.99Å; L50-F82 HydrophobicContact CB-CE2 4.12Å; L50-F82 HydrophobicContact CD1-CD2 4.44Å; L50-F82 HydrophobicContact CD1-CE2 3.97Å; L50-F82 HydrophobicContact CD1-CZ 4.18Å; L50-Q85 HydrophobicContact CD1-CB 4.26Å; L50-Q85 HydrophobicContact CD2-CB 3.7Å; L50-V86 HydrophobicContact CD1-CB 4.36Å; L50-V86 HydrophobicContact CD1-CG2 3.41Å; L50-V86 VanDerWaalsContact CD1-CG2 3.41Å
51F84.6Confident82.8Confident9 Ų940.3 Ų40.34%0.03926%0.26CS..Hα-helixtrans-89.9-37.7178.9-73.814.4000110.9F32 F47 F48 S53 I59 E63 L64 A67 L71 F82F32-F51 HydrophobicContact CE2-CD2 4.09Å; F32-F51 HydrophobicContact CE2-CE2 4.28Å; F32-F51 HydrophobicContact CZ-CD2 4.11Å; F32-F51 HydrophobicContact CZ-CE2 4.21Å; F47-F51 WeakPolarHBondContact O-CB 3.5Å; F47-F51 VanDerWaalsContact O-CD1 3.3Å; F47-F51 WeakPolarHBondContact O-CD1 3.45Å; F47-F51 VanDerWaalsContact O-CG 3.29Å; F47-F51 WeakPolarHBondContact O-CG 3.37Å; F47-F51 PolarHBondContact O-N 2.71Å; F48-F51 PolarHBondContact O-N 2.94Å; F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 3.4Å; F51-I59 HydrophobicContact CB-CD1 3.8Å; F51-I59 HydrophobicContact CB-CG1 4.15Å; F51-I59 HydrophobicContact CB-CG2 4.34Å; F51-I59 HydrophobicContact CD2-CD1 4.31Å; F51-E63 WeakPolarHBondContact O-CB 3.43Å; F51-L64 HydrophobicContact CD2-CD1 3.78Å; F51-L64 HydrophobicContact CE2-CD1 3.73Å; F51-A67 HydrophobicContact CD1-CB 3.41Å; F51-A67 VanDerWaalsContact CD1-CB 3.41Å; F51-A67 HydrophobicContact CD2-CB 4.21Å; F51-A67 HydrophobicContact CE1-CB 3.46Å; F51-A67 VanDerWaalsContact CE1-CB 3.46Å; F51-A67 HydrophobicContact CE2-CB 4.25Å; F51-A67 HydrophobicContact CG-CB 3.81Å; F51-A67 HydrophobicContact CZ-CB 3.9Å; F51-L71 HydrophobicContact CE1-CD1 4.23Å; F51-L71 HydrophobicContact CZ-CD1 4Å; F51-F82 HydrophobicContact CD1-CE2 4.33Å; F51-F82 AromaticContact CE1-CE2 3.77Å; F51-F82 HydrophobicContact CE1-CE2 3.77Å; F51-F82 AromaticContact CE1-CZ 3.73Å; F51-F82 HydrophobicContact CE1-CZ 3.73Å
52D88.5Confident83.8Confident18 Ų1842.5 Ų42.510%0.09627%0.268CS..  trans-7284.5172179.87.9000109.8F48 D54 G55 S56 G57 I59F48-D52 HydrophobicContact CD1-CB 4.43Å; F48-D52 HydrophobicContact CE1-CB 4.27Å; F48-D52 WeakPolarHBondContact O-CB 3.38Å; F48-D52 PolarHBondContact O-N 2.94Å; D52-D54 VanDerWaalsContact C-N 3.34Å; D52-G55 VanDerWaalsContact OD1-CA 3.23Å; D52-G55 WeakPolarHBondContact OD1-CA 3.3Å; D52-G55 PolarHBondContact OD1-N 3.32Å; D52-G55 WeakPolarHBondContact OD2-CA 3.36Å; D52-S56 PolarHBondContact OD1-N 3.32Å; D52-S56 PolarHBondContact OD1-OG 2.9Å; D52-S56 PolarHBondContact OD2-N 3.4Å; D52-G57 WeakPolarHBondContact OD2-CA 3.31Å; D52-G57 PolarHBondContact OD2-N 3.41Å; D52-I59 HydrophobicContact CB-CG1 4.46Å
53S84.4Confident84.4Confident93 Ų9341.3 Ų41.365%0.6526%0.263SS*.SBendtrans-78.1-23.1-173.265.40000112.8F51 E63F51-S53 VanDerWaalsContact C-N 3.33Å; F51-S53 PolarHBondContact O-N 3.4Å; S53-E63 PolarHBondContact N-OE1 2.89Å; S53-E63 PolarHBondContact OG-OE1 2.92Å
54D86.9Confident84.8Confident111 Ų11141.3 Ų41.359%0.59426%0.263SS*.SBendtrans-96.8-6.6178.6714.8000113.6D52 S56 E63D52-D54 VanDerWaalsContact C-N 3.34Å; D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 2.98Å; D54-S56 WeakPolarHBondContact OD1-CB 3.2Å; D54-S56 PolarHBondContact OD1-N 3.48Å; D54-S56 PolarHBondContact OD1-OG 3.23Å; D54-E63 PolarHBondContact N-OE1 2.84Å
55G85.9Confident85.2Confident62 Ų6243.3 Ų43.364%0.63927%0.273SS*.  trans6925.8177.800000112.5D52 G57D52-G55 VanDerWaalsContact OD1-CA 3.23Å; D52-G55 WeakPolarHBondContact OD1-CA 3.3Å; D52-G55 PolarHBondContact OD1-N 3.32Å; D52-G55 WeakPolarHBondContact OD2-CA 3.36Å; G55-G57 PolarHBondContact O-N 2.83Å
56S88.3Confident85.3Confident65 Ų6545.6 Ų45.646%0.45528%0.282SS..  trans-70.1-19.3-177.6570000113.1D52 D54 S58D52-S56 PolarHBondContact OD1-N 3.32Å; D52-S56 PolarHBondContact OD1-OG 2.9Å; D52-S56 PolarHBondContact OD2-N 3.4Å; D54-S56 VanDerWaalsContact C-N 3.26Å; D54-S56 PolarHBondContact O-N 2.98Å; D54-S56 WeakPolarHBondContact OD1-CB 3.2Å; D54-S56 PolarHBondContact OD1-N 3.48Å; D54-S56 PolarHBondContact OD1-OG 3.23Å; S56-S58 VanDerWaalsContact C-N 3.34Å; S56-S58 PolarHBondContact OG-N 2.8Å; S56-S58 PolarHBondContact OG-O 3.44Å; S56-S58 VanDerWaalsContact OG-O 3.08Å
57G86.9Confident85.2Confident45 Ų4544.3 Ų44.346%0.46428%0.281SS..SBendtrans84.39.3-172.900000113.5F48 D52 G55F48-G57 WeakPolarHBondContact CZ-O 3.39Å; D52-G57 WeakPolarHBondContact OD2-CA 3.31Å; D52-G57 PolarHBondContact OD2-N 3.41Å; G55-G57 PolarHBondContact O-N 2.83Å
58S89.5Confident85Confident15 Ų1543.6 Ų43.611%0.10528%0.277CS..SBendtrans-140.2157.4173.865.80000110E26 S56E26-S58 WeakPolarHBondContact OE2-CB 3.27Å; E26-S58 PolarHBondContact OE2-OG 3.09Å; S56-S58 VanDerWaalsContact C-N 3.34Å; S56-S58 PolarHBondContact OG-N 2.8Å; S56-S58 PolarHBondContact OG-O 3.44Å; S56-S58 VanDerWaalsContact OG-O 3.08Å
59I89.4Confident84.7Confident0 Ų047 Ų470%030%0.297CS..BIsolated β-bridgetrans-108.1118.7178.1-60.8167.1000109.3I27 F32 F48 F51 D52 E63 L64I27-I59 HydrophobicContact CB-CB 4.37Å; I27-I59 PolarHBondContact N-O 2.66Å; I27-I59 PolarHBondContact O-N 3.11Å; F32-I59 HydrophobicContact CD2-CD1 3.78Å; F32-I59 HydrophobicContact CE2-CD1 3.88Å; F32-I59 HydrophobicContact CG-CD1 4.2Å; F32-I59 HydrophobicContact CZ-CD1 4.36Å; F48-I59 HydrophobicContact CD2-CD1 3.35Å; F48-I59 HydrophobicContact CD2-CG1 3.89Å; F48-I59 HydrophobicContact CE2-CD1 3.59Å; F48-I59 HydrophobicContact CE2-CG1 3.65Å; F48-I59 HydrophobicContact CG-CD1 4.04Å; F48-I59 HydrophobicContact CG-CG1 4.48Å; F48-I59 HydrophobicContact CZ-CD1 4.44Å; F48-I59 HydrophobicContact CZ-CG1 4.07Å; F51-I59 HydrophobicContact CB-CD1 3.8Å; F51-I59 HydrophobicContact CB-CG1 4.15Å; F51-I59 HydrophobicContact CB-CG2 4.34Å; F51-I59 HydrophobicContact CD2-CD1 4.31Å; D52-I59 HydrophobicContact CB-CG1 4.46Å; I59-E63 HydrophobicContact CG2-CB 4.23Å; I59-L64 HydrophobicContact CG2-CB 3.94Å
60S90.3Very high84.3Confident36 Ų3647.3 Ų47.325%0.25229%0.289SS..  trans-78.2161.517369.60000112.5D62 E63 L64S60-D62 PolarHBondContact O-N 3.18Å; S60-E63 WeakPolarHBondContact CB-OE2 3.48Å; S60-E63 PolarHBondContact N-OE2 3.02Å; S60-E63 PolarHBondContact O-N 3.05Å; S60-E63 WeakPolarHBondContact OG-CB 3.48Å; S60-E63 VanDerWaalsContact OG-CG 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.21Å; S60-E63 PolarHBondContact OG-N 3.04Å; S60-E63 PolarHBondContact OG-OE2 2.69Å; S60-L64 PolarHBondContact O-N 2.88Å
61L84.9Confident83.8Confident53 Ų5345.2 Ų45.228%0.27728%0.278SS..Hα-helixtrans-59-38176.5178.663.4000112.1T14 F17 L65T14-L61 HydrophobicContact CG2-CD1 4.49Å; T14-L61 HydrophobicContact CG2-CD2 4.06Å; F17-L61 HydrophobicContact CB-CD1 3.87Å; F17-L61 HydrophobicContact CD1-CB 3.97Å; F17-L61 HydrophobicContact CD1-CD1 3.74Å; F17-L61 HydrophobicContact CD1-CG 4.32Å; F17-L61 HydrophobicContact CD2-CD1 4.13Å; F17-L61 HydrophobicContact CE1-CB 3.68Å; F17-L61 HydrophobicContact CE1-CD1 4.34Å; F17-L61 HydrophobicContact CE2-CB 4.32Å; F17-L61 HydrophobicContact CG-CB 4.44Å; F17-L61 HydrophobicContact CG-CD1 3.63Å; F17-L61 HydrophobicContact CZ-CB 3.87Å; F17-L61 VanDerWaalsContact CZ-N 3.28Å; L61-L65 HydrophobicContact CD1-CD1 4.09Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CG-CD1 3.99Å; L61-L65 HydrophobicContact CG-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.28Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 2.77Å
62D85.9Confident83Confident93 Ų9346.8 Ų46.850%0.49729%0.287SS..Hα-helixtrans-68.6-41.6-178.5-172.564.4000111.5S60 L65 K66S60-D62 PolarHBondContact O-N 3.18Å; D62-L65 PolarHBondContact O-N 2.89Å; D62-K66 WeakPolarHBondContact O-CB 3.45Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.28Å; D62-K66 PolarHBondContact O-N 2.94Å; D62-K66 WeakPolarHBondContact OD2-CE 3.41Å; D62-K66 IonicContact OD2-NZ 3.04Å; D62-K66 PolarHBondContact OD2-NZ 2.83Å
63E88.4Confident82.2Confident9 Ų950.2 Ų50.24%0.04230%0.302CS..Hα-helixtrans-63.4-46.7174.6-76174.4131.800112.4F51 S53 D54 I59 S60 L65 K66 A67F51-E63 WeakPolarHBondContact O-CB 3.43Å; S53-E63 PolarHBondContact N-OE1 2.89Å; S53-E63 PolarHBondContact OG-OE1 2.92Å; D54-E63 PolarHBondContact N-OE1 2.84Å; I59-E63 HydrophobicContact CG2-CB 4.23Å; S60-E63 WeakPolarHBondContact CB-OE2 3.48Å; S60-E63 PolarHBondContact N-OE2 3.02Å; S60-E63 PolarHBondContact O-N 3.05Å; S60-E63 WeakPolarHBondContact OG-CB 3.48Å; S60-E63 VanDerWaalsContact OG-CG 3.24Å; S60-E63 WeakPolarHBondContact OG-CG 3.21Å; S60-E63 PolarHBondContact OG-N 3.04Å; S60-E63 PolarHBondContact OG-OE2 2.69Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 2.89Å; E63-K66 PolarHBondContact O-N 3.49Å; E63-A67 WeakPolarHBondContact O-CB 3.4Å; E63-A67 PolarHBondContact O-N 2.94Å
64L83.4Confident81.6Confident2 Ų246.4 Ų46.41%0.0128%0.277CS..Hα-helixtrans-60-46.3175.8-178.965.3000111.1F17 F51 I59 S60 A67 L68 W165 L166F17-L64 HydrophobicContact CB-CD2 4.39Å; F17-L64 HydrophobicContact CD2-CD2 3.47Å; F17-L64 VanDerWaalsContact CD2-CD2 3.47Å; F17-L64 HydrophobicContact CE2-CD2 4.21Å; F17-L64 HydrophobicContact CG-CD2 4.36Å; F51-L64 HydrophobicContact CD2-CD1 3.78Å; F51-L64 HydrophobicContact CE2-CD1 3.73Å; I59-L64 HydrophobicContact CG2-CB 3.94Å; S60-L64 PolarHBondContact O-N 2.88Å; L64-A67 PolarHBondContact O-N 3.41Å; L64-L68 HydrophobicContact CD1-CD1 3.87Å; L64-L68 HydrophobicContact CD1-CG 4.12Å; L64-L68 HydrophobicContact CD2-CD1 4.32Å; L64-L68 HydrophobicContact CG-CD1 3.68Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CD1 3.36Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 3.27Å; L64-W165 HydrophobicContact CD1-CH2 4.21Å; L64-W165 HydrophobicContact CD1-CZ2 4.16Å; L64-L166 HydrophobicContact CD1-CD1 4.45Å; L64-L166 HydrophobicContact CD2-CD1 4.49Å
65L81.1Confident81.3Confident42 Ų4245.4 Ų45.422%0.2227%0.272CS..Hα-helixtrans-64.6-40.4179.4-75176000112L10 V13 L61 D62 E63 N69L10-L65 HydrophobicContact CD2-CD2 3.88Å; V13-L65 HydrophobicContact CG1-CD2 4Å; L61-L65 HydrophobicContact CD1-CD1 4.09Å; L61-L65 HydrophobicContact CD1-CG 4.13Å; L61-L65 HydrophobicContact CG-CD1 3.99Å; L61-L65 HydrophobicContact CG-CG 4.4Å; L61-L65 WeakPolarHBondContact O-CB 3.28Å; L61-L65 VanDerWaalsContact O-CG 3.24Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 2.77Å; D62-L65 PolarHBondContact O-N 2.89Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 2.89Å; L65-N69 WeakPolarHBondContact O-CB 3.39Å; L65-N69 PolarHBondContact O-N 2.91Å
66K83.3Confident80.7Confident124 Ų12448.5 Ų48.554%0.53927%0.27SS..Hα-helixtrans-60.1-49.7174.6-80.2168.2176163.10111.5D62 E63 L68 N69 L70D62-K66 WeakPolarHBondContact O-CB 3.45Å; D62-K66 VanDerWaalsContact O-CG 3.3Å; D62-K66 WeakPolarHBondContact O-CG 3.28Å; D62-K66 PolarHBondContact O-N 2.94Å; D62-K66 WeakPolarHBondContact OD2-CE 3.41Å; D62-K66 IonicContact OD2-NZ 3.04Å; D62-K66 PolarHBondContact OD2-NZ 2.83Å; E63-K66 PolarHBondContact O-N 3.49Å; K66-L68 PolarHBondContact O-N 3.47Å; K66-N69 PolarHBondContact O-N 2.91Å; K66-L70 PolarHBondContact O-N 2.93Å; K66-L70 VanDerWaalsContact O-N 3.09Å
67A78.9Confident80.5Confident16 Ų1647.5 Ų47.513%0.13226%0.261CS..Hα-helixtrans-63.3-42.2-179.300000112.1F51 E63 L64 L70 L71F51-A67 HydrophobicContact CD1-CB 3.41Å; F51-A67 VanDerWaalsContact CD1-CB 3.41Å; F51-A67 HydrophobicContact CD2-CB 4.21Å; F51-A67 HydrophobicContact CE1-CB 3.46Å; F51-A67 VanDerWaalsContact CE1-CB 3.46Å; F51-A67 HydrophobicContact CE2-CB 4.25Å; F51-A67 HydrophobicContact CG-CB 3.81Å; F51-A67 HydrophobicContact CZ-CB 3.9Å; E63-A67 WeakPolarHBondContact O-CB 3.4Å; E63-A67 PolarHBondContact O-N 2.94Å; L64-A67 PolarHBondContact O-N 3.41Å; A67-L70 PolarHBondContact O-N 3.44Å; A67-L71 WeakPolarHBondContact O-CG 3.42Å; A67-L71 PolarHBondContact O-N 3.36Å
68L73.9Confident80.2Confident0 Ų048.5 Ų48.50%026%0.255CS..Hα-helixtrans-69.3-36.9177-67.6166.7000113W9 V13 L64 K66 L70 L71 I72 L166W9-L68 HydrophobicContact CH2-CB 4.01Å; W9-L68 HydrophobicContact CZ2-CB 4.33Å; W9-L68 HydrophobicContact CZ2-CD1 4.5Å; V13-L68 HydrophobicContact CG1-CD1 3.84Å; L64-L68 HydrophobicContact CD1-CD1 3.87Å; L64-L68 HydrophobicContact CD1-CG 4.12Å; L64-L68 HydrophobicContact CD2-CD1 4.32Å; L64-L68 HydrophobicContact CG-CD1 3.68Å; L64-L68 HydrophobicContact CG-CG 4.35Å; L64-L68 WeakPolarHBondContact O-CB 3.24Å; L64-L68 WeakPolarHBondContact O-CD1 3.36Å; L64-L68 WeakPolarHBondContact O-CG 3.44Å; L64-L68 PolarHBondContact O-N 3.27Å; K66-L68 PolarHBondContact O-N 3.47Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 2.88Å; L68-L71 PolarHBondContact O-N 3.41Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 2.92Å; L68-I72 PolarHBondContact O-N 3.06Å; L68-L166 HydrophobicContact CD1-CD1 3.26Å; L68-L166 HydrophobicContact CD2-CD1 3.63Å; L68-L166 HydrophobicContact CG-CD1 4.03Å
69N76.5Confident79.6Confident86 Ų8649.1 Ų49.146%0.4626%0.256SS..Hα-helixtrans-63.7-39.8177.4-167.143.1000110.8L65 K66 H73 G74L65-N69 WeakPolarHBondContact O-CB 3.39Å; L65-N69 PolarHBondContact O-N 2.91Å; K66-N69 PolarHBondContact O-N 2.91Å; N69-H73 WeakPolarHBondContact O-CA 3.31Å; N69-H73 WeakPolarHBondContact O-CB 3.32Å; N69-H73 PolarHBondContact O-N 3.49Å; N69-H73 PolarHBondContact OD1-ND1 3.33Å; N69-G74 PolarHBondContact O-N 2.83Å
70L77.6Confident79Confident67 Ų6749.2 Ų49.235%0.35126%0.257SS..Hα-helixtrans-61.2-45.6171.3-172.9155.3000111.3K66 A67 L68 I72 G74 D78 F82K66-L70 PolarHBondContact O-N 2.93Å; K66-L70 VanDerWaalsContact O-N 3.09Å; A67-L70 PolarHBondContact O-N 3.44Å; L68-L70 VanDerWaalsContact C-N 3.29Å; L68-L70 PolarHBondContact O-N 2.88Å; L70-I72 PolarHBondContact O-N 3.04Å; L70-G74 WeakPolarHBondContact O-CA 3.27Å; L70-G74 PolarHBondContact O-N 3.3Å; L70-D78 HydrophobicContact CD2-CB 4.21Å; L70-D78 HydrophobicContact CG-CB 4.22Å; L70-F82 HydrophobicContact CD2-CB 4.15Å
71L70.6Confident78.8Confident4 Ų453.1 Ų53.12%0.02127%0.266CS..Hα-helixtrans-69.2-30.1-178.2-73.3166.2000114.3F51 A67 L68 K79 F82 T159 A162F51-L71 HydrophobicContact CE1-CD1 4.23Å; F51-L71 HydrophobicContact CZ-CD1 4Å; A67-L71 WeakPolarHBondContact O-CG 3.42Å; A67-L71 PolarHBondContact O-N 3.36Å; L68-L71 PolarHBondContact O-N 3.41Å; L71-K79 VanDerWaalsContact O-CE 3.26Å; L71-K79 WeakPolarHBondContact O-CE 3.37Å; L71-F82 HydrophobicContact CD1-CE1 4.31Å; L71-F82 HydrophobicContact CD1-CZ 4.14Å; L71-F82 HydrophobicContact CD2-CD1 3.57Å; L71-F82 HydrophobicContact CD2-CD2 4.47Å; L71-F82 HydrophobicContact CD2-CE1 3.74Å; L71-F82 HydrophobicContact CD2-CG 3.94Å; L71-F82 HydrophobicContact CD2-CZ 4.27Å; L71-T159 VanDerWaalsContact O-CG2 3.3Å; L71-T159 WeakPolarHBondContact O-CG2 3.22Å; L71-A162 HydrophobicContact CB-CB 4.4Å; L71-A162 HydrophobicContact CD1-CB 3.61Å; L71-A162 HydrophobicContact CD2-CB 3.77Å; L71-A162 HydrophobicContact CG-CB 4.13Å
72I69.2Low78.5Confident42 Ų4251.2 Ų51.222%0.21526%0.256CS..Hα-helixtrans-95.5-46.1-176.2-65.4167.8000111.4W9 L68 L70 A163W9-I72 HydrophobicContact CD2-CD1 4.44Å; W9-I72 HydrophobicContact CH2-CD1 3.43Å; W9-I72 VanDerWaalsContact CH2-CD1 3.43Å; W9-I72 HydrophobicContact CZ2-CD1 2.99Å; W9-I72 HydrophobicContact CZ2-CG1 4.49Å; W9-I72 HydrophobicContact CZ3-CD1 4.29Å; L68-I72 WeakPolarHBondContact O-CB 3.27Å; L68-I72 WeakPolarHBondContact O-CG1 2.92Å; L68-I72 PolarHBondContact O-N 3.06Å; L70-I72 PolarHBondContact O-N 3.04Å; I72-A163 HydrophobicContact CD1-CB 3.87Å; I72-A163 HydrophobicContact CG1-CB 3.72Å
73H71.1Confident78.1Confident90 Ų9047 Ų4742%0.41723%0.233SC..Hα-helixtrans-108.2-10-172.7-56.294.5000113.9N69N69-H73 WeakPolarHBondContact O-CA 3.31Å; N69-H73 WeakPolarHBondContact O-CB 3.32Å; N69-H73 PolarHBondContact O-N 3.49Å; N69-H73 PolarHBondContact OD1-ND1 3.33Å
74G72.4Confident77.9Confident13 Ų1347.1 Ų47.113%0.13423%0.233CC..SBendtrans-62.8157.9175.300000112.2N69 L70 K79N69-G74 PolarHBondContact O-N 2.83Å; L70-G74 WeakPolarHBondContact O-CA 3.27Å; L70-G74 PolarHBondContact O-N 3.3Å; G74-K79 WeakPolarHBondContact O-CE 3.49Å; G74-K79 PolarHBondContact O-NZ 2.85Å
75D79.8Confident78Confident89 Ų8950.9 Ų50.948%0.47625%0.251SS..  trans-72.6173.9175.775.221.4000111.2T77 D78 K79D75-T77 PolarHBondContact O-N 2.92Å; D75-T77 VanDerWaalsContact OD1-CA 3.32Å; D75-T77 WeakPolarHBondContact OD1-CA 3.24Å; D75-T77 VanDerWaalsContact OD1-CB 3.31Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.4Å; D75-D78 PolarHBondContact N-OD2 2.92Å; D75-D78 PolarHBondContact O-N 2.74Å; D75-D78 PolarHBondContact OD1-N 3.46Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 3.43Å
76E74.2Confident77.9Confident128 Ų12849 Ų4960%0.59824%0.241SC*.Hα-helixtrans-61.2-30.5179-73.4-178.1175.700112.5L80 M155E76-L80 WeakPolarHBondContact O-CB 3.43Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.45Å; E76-L80 PolarHBondContact O-N 3.35Å; E76-L80 VanDerWaalsContact O-N 3.1Å; E76-M155 HydrophobicContact CB-CE 3.61Å; E76-M155 HydrophobicContact CG-CE 3.95Å; E76-M155 WeakPolarHBondContact O-CE 3.39Å
77T82.8Confident77.8Confident44 Ų4443.5 Ų43.527%0.2722%0.217SC..Hα-helixtrans-75.1-39.8-178.7-53.70000111.1D75 K79 L80 R81 F141 K145D75-T77 PolarHBondContact O-N 2.92Å; D75-T77 VanDerWaalsContact OD1-CA 3.32Å; D75-T77 WeakPolarHBondContact OD1-CA 3.24Å; D75-T77 VanDerWaalsContact OD1-CB 3.31Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.4Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 2.97Å; T77-L80 PolarHBondContact O-N 2.77Å; T77-R81 WeakPolarHBondContact O-CB 3.2Å; T77-R81 PolarHBondContact O-N 3.17Å; T77-F141 HydrophobicContact CG2-CE1 4.06Å; T77-F141 HydrophobicContact CG2-CZ 3.8Å; T77-K145 PolarHBondContact OG1-NZ 3.33Å
78D80.4Confident78.2Confident65 Ų6543.2 Ų43.235%0.34821%0.213SC..Hα-helixtrans-62-42.8175.7-67.7-33.3000111.1L70 D75 R81 F82L70-D78 HydrophobicContact CD2-CB 4.21Å; L70-D78 HydrophobicContact CG-CB 4.22Å; D75-D78 PolarHBondContact N-OD2 2.92Å; D75-D78 PolarHBondContact O-N 2.74Å; D75-D78 PolarHBondContact OD1-N 3.46Å; D78-R81 PolarHBondContact O-N 2.98Å; D78-F82 PolarHBondContact O-N 2.96Å
79K77.2Confident78.6Confident28 Ų2845.7 Ų45.712%0.12223%0.228CC..Hα-helixtrans-66.4-40.3177.7-68.7167.9-179.1174.90112.3L71 G74 D75 T77 R81 F82 L83 T159L71-K79 VanDerWaalsContact O-CE 3.26Å; L71-K79 WeakPolarHBondContact O-CE 3.37Å; G74-K79 WeakPolarHBondContact O-CE 3.49Å; G74-K79 PolarHBondContact O-NZ 2.85Å; D75-K79 WeakPolarHBondContact O-CG 3.48Å; D75-K79 PolarHBondContact O-N 3.43Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 2.97Å; K79-R81 VanDerWaalsContact C-N 3.32Å; K79-F82 PolarHBondContact O-N 3.45Å; K79-L83 PolarHBondContact O-N 3.48Å; K79-T159 WeakPolarHBondContact CD-OG1 2.99Å; K79-T159 WeakPolarHBondContact CE-OG1 3.44Å; K79-T159 PolarHBondContact NZ-OG1 3.38Å
80L77.8Confident78.9Confident3 Ų346.8 Ų46.82%0.01623%0.234CC..Hα-helixtrans-65-39.1173.6-77173.7000111.6E76 T77 F82 L83 F84 F141 K145 L148 M155E76-L80 WeakPolarHBondContact O-CB 3.43Å; E76-L80 VanDerWaalsContact O-CG 3.27Å; E76-L80 WeakPolarHBondContact O-CG 3.45Å; E76-L80 PolarHBondContact O-N 3.35Å; E76-L80 VanDerWaalsContact O-N 3.1Å; T77-L80 PolarHBondContact O-N 2.77Å; L80-F82 VanDerWaalsContact C-N 3.31Å; L80-F82 PolarHBondContact O-N 2.91Å; L80-L83 PolarHBondContact O-N 2.89Å; L80-F84 WeakPolarHBondContact O-CB 3.29Å; L80-F84 PolarHBondContact O-N 3.31Å; L80-F141 HydrophobicContact CB-CE2 4.04Å; L80-F141 HydrophobicContact CB-CZ 4.32Å; L80-K145 HydrophobicContact CD1-CB 4.14Å; L80-K145 HydrophobicContact CD1-CD 4.29Å; L80-K145 HydrophobicContact CD1-CG 3.77Å; L80-L148 HydrophobicContact CD2-CB 3.9Å; L80-L148 HydrophobicContact CD2-CD1 3.33Å; L80-L148 HydrophobicContact CD2-CG 4.24Å; L80-M155 HydrophobicContact CD1-CE 3.7Å; L80-M155 HydrophobicContact CD1-SD 4.1Å; L80-M155 HydrophobicContact CD2-CE 3.97Å; L80-M155 HydrophobicContact CD2-SD 3.48Å; L80-M155 WeakPolarHBondContact CD2-SD 3.47Å; L80-M155 HydrophobicContact CG-CE 3.52Å; L80-M155 HydrophobicContact CG-SD 3.77Å
81R84.9Confident79.2Confident118 Ų11846.3 Ų46.345%0.44525%0.245SC..Hα-helixtrans-65.3-39.8178-174.8171.5-70.3-85.5-4.5111T77 D78 K79 F84 Q85 F141T77-R81 WeakPolarHBondContact O-CB 3.2Å; T77-R81 PolarHBondContact O-N 3.17Å; D78-R81 PolarHBondContact O-N 2.98Å; K79-R81 VanDerWaalsContact C-N 3.32Å; R81-F84 WeakPolarHBondContact O-CB 3.44Å; R81-F84 PolarHBondContact O-N 3.47Å; R81-Q85 VanDerWaalsContact O-CG 3.28Å; R81-Q85 WeakPolarHBondContact O-CG 3.35Å; R81-Q85 PolarHBondContact O-N 3.48Å; R81-F141 VanDerWaalsContact CA-CE2 3.44Å; R81-F141 HydrophobicContact CB-CE2 3.78Å; R81-F141 HydrophobicContact CB-CZ 4.1Å; R81-F141 HydrophobicContact CG-CE2 4.45Å
82F79.4Confident80Confident13 Ų1349.2 Ų49.26%0.05727%0.266CS..Hα-helixtrans-60.7-46.6171.4-178.4-93.3000112F47 L50 F51 L70 L71 D78 K79 L80 F84 Q85 V86 M703F47-F82 HydrophobicContact CD1-CE1 4Å; F47-F82 AromaticContact CD1-CZ 3.74Å; F47-F82 HydrophobicContact CD1-CZ 3.74Å; F47-F82 AromaticContact CE1-CE1 3.76Å; F47-F82 HydrophobicContact CE1-CE1 3.76Å; F47-F82 AromaticContact CE1-CZ 4Å; F47-F82 HydrophobicContact CE1-CZ 4Å; L50-F82 HydrophobicContact CB-CE2 4.12Å; L50-F82 HydrophobicContact CD1-CD2 4.44Å; L50-F82 HydrophobicContact CD1-CE2 3.97Å; L50-F82 HydrophobicContact CD1-CZ 4.18Å; F51-F82 HydrophobicContact CD1-CE2 4.33Å; F51-F82 AromaticContact CE1-CE2 3.77Å; F51-F82 HydrophobicContact CE1-CE2 3.77Å; F51-F82 AromaticContact CE1-CZ 3.73Å; F51-F82 HydrophobicContact CE1-CZ 3.73Å; L70-F82 HydrophobicContact CD2-CB 4.15Å; L71-F82 HydrophobicContact CD1-CE1 4.31Å; L71-F82 HydrophobicContact CD1-CZ 4.14Å; L71-F82 HydrophobicContact CD2-CD1 3.57Å; L71-F82 HydrophobicContact CD2-CD2 4.47Å; L71-F82 HydrophobicContact CD2-CE1 3.74Å; L71-F82 HydrophobicContact CD2-CG 3.94Å; L71-F82 HydrophobicContact CD2-CZ 4.27Å; D78-F82 PolarHBondContact O-N 2.96Å; K79-F82 PolarHBondContact O-N 3.45Å; L80-F82 VanDerWaalsContact C-N 3.31Å; L80-F82 PolarHBondContact O-N 2.91Å; F82-F84 VanDerWaalsContact C-N 3.33Å; F82-F84 PolarHBondContact O-N 3.47Å; F82-Q85 PolarHBondContact O-N 2.93Å; F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 4.01Å; F82-V86 HydrophobicContact CZ-CG2 4.43Å; F82-V86 WeakPolarHBondContact O-CG2 3.45Å; F82-V86 PolarHBondContact O-N 3.48Å; F82-V86 VanDerWaalsContact O-N 3.09Å; F82-M703 HydrophobicContact CD1-SD 4.37Å; F82-M703 HydrophobicContact CE1-CE 4.41Å; F82-M703 HydrophobicContact CE1-SD 4.02Å
83L77.4Confident80.8Confident4 Ų449.4 Ų49.42%0.02128%0.278CS..Hα-helixtrans-62-41.4176.8-177.366.7000112.2K79 L80 Q85 V86 Y87 L148 L158 M703K79-L83 PolarHBondContact O-N 3.48Å; L80-L83 PolarHBondContact O-N 2.89Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.19Å; L83-V86 WeakPolarHBondContact O-CB 3.21Å; L83-V86 PolarHBondContact O-N 3.44Å; L83-V86 VanDerWaalsContact O-N 3.11Å; L83-Y87 HydrophobicContact CD1-CD2 4.1Å; L83-Y87 HydrophobicContact CD1-CE2 3.66Å; L83-Y87 HydrophobicContact CG-CD2 4.39Å; L83-Y87 HydrophobicContact CG-CE2 4.25Å; L83-Y87 WeakPolarHBondContact O-CD2 3.33Å; L83-Y87 PolarHBondContact O-N 2.93Å; L83-L148 HydrophobicContact CD2-CD1 3.78Å; L83-L158 HydrophobicContact CB-CD2 4.23Å; L83-L158 HydrophobicContact CD1-CD2 3.84Å; L83-L158 HydrophobicContact CD2-CD1 4.03Å; L83-L158 HydrophobicContact CD2-CD2 3.85Å; L83-L158 HydrophobicContact CG-CD2 4.19Å; L83-M703 HydrophobicContact CD1-CG 4.11Å
84F84Confident81.7Confident11 Ų1146.6 Ų46.65%0.04827%0.268CS..Hα-helixtrans-57.4-47.8175.8-179.4-88.7000110.9L80 R81 F82 V86 Y87 D88 G93 I95 F141 L144L80-F84 WeakPolarHBondContact O-CB 3.29Å; L80-F84 PolarHBondContact O-N 3.31Å; R81-F84 WeakPolarHBondContact O-CB 3.44Å; R81-F84 PolarHBondContact O-N 3.47Å; F82-F84 VanDerWaalsContact C-N 3.33Å; F82-F84 PolarHBondContact O-N 3.47Å; F84-V86 PolarHBondContact O-N 3.32Å; F84-Y87 PolarHBondContact O-N 2.87Å; F84-D88 HydrophobicContact CD1-CB 4.44Å; F84-D88 HydrophobicContact CE1-CB 4.13Å; F84-D88 WeakPolarHBondContact O-CB 3.33Å; F84-D88 PolarHBondContact O-N 3.43Å; F84-G93 WeakPolarHBondContact CZ-O 3.43Å; F84-I95 HydrophobicContact CD2-CD1 3.67Å; F84-I95 HydrophobicContact CD2-CG1 4.23Å; F84-I95 HydrophobicContact CE2-CD1 3.69Å; F84-I95 HydrophobicContact CE2-CG1 3.81Å; F84-I95 HydrophobicContact CG-CD1 4.46Å; F84-I95 HydrophobicContact CZ-CD1 4.49Å; F84-I95 HydrophobicContact CZ-CG1 4.18Å; F84-F141 HydrophobicContact CB-CD2 3.93Å; F84-F141 HydrophobicContact CB-CE2 4.49Å; F84-F141 HydrophobicContact CD2-CB 4.17Å; F84-F141 HydrophobicContact CD2-CD2 4.21Å; F84-F141 HydrophobicContact CE2-CB 4.17Å; F84-F141 HydrophobicContact CG-CB 4.42Å; F84-F141 AromaticContact CG-CD2 3.98Å; F84-F141 HydrophobicContact CG-CD2 3.98Å; F84-F141 HydrophobicContact CZ-CB 4.41Å; F84-L144 HydrophobicContact CB-CD2 4.01Å; F84-L144 HydrophobicContact CD2-CB 4.31Å; F84-L144 HydrophobicContact CD2-CD2 3.7Å; F84-L144 HydrophobicContact CG-CD2 4.35Å
85Q84.6Confident82.5Confident82 Ų8246 Ų4638%0.38326%0.262SS..Hα-helixtrans-63.5-26.4176.4-70.3172.2-2900113.4R46 L50 R81 F82 L83 Y87R46-Q85 PolarHBondContact NH2-O 3.22Å; L50-Q85 HydrophobicContact CD1-CB 4.26Å; L50-Q85 HydrophobicContact CD2-CB 3.7Å; R81-Q85 VanDerWaalsContact O-CG 3.28Å; R81-Q85 WeakPolarHBondContact O-CG 3.35Å; R81-Q85 PolarHBondContact O-N 3.48Å; F82-Q85 PolarHBondContact O-N 2.93Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.19Å; Q85-Y87 VanDerWaalsContact C-N 3.32Å
86V79.8Confident83Confident1 Ų144.1 Ų44.11%0.00625%0.252CS..Hα-helixtrans-68.8-35.3173174.20000110.9F43 R46 F47 L50 F82 L83 F84F43-V86 HydrophobicContact CD1-CG1 3.98Å; F43-V86 HydrophobicContact CE1-CG1 4.01Å; R46-V86 HydrophobicContact CB-CG1 4.48Å; R46-V86 PolarHBondContact NE-O 3.2Å; F47-V86 HydrophobicContact CD1-CG2 4.18Å; F47-V86 HydrophobicContact CE1-CG1 4.42Å; F47-V86 HydrophobicContact CE1-CG2 3.66Å; L50-V86 HydrophobicContact CD1-CB 4.36Å; L50-V86 HydrophobicContact CD1-CG2 3.41Å; L50-V86 VanDerWaalsContact CD1-CG2 3.41Å; F82-V86 HydrophobicContact CD1-CG2 4.3Å; F82-V86 HydrophobicContact CE1-CG2 4.01Å; F82-V86 HydrophobicContact CZ-CG2 4.43Å; F82-V86 WeakPolarHBondContact O-CG2 3.45Å; F82-V86 PolarHBondContact O-N 3.48Å; F82-V86 VanDerWaalsContact O-N 3.09Å; L83-V86 WeakPolarHBondContact O-CB 3.21Å; L83-V86 PolarHBondContact O-N 3.44Å; L83-V86 VanDerWaalsContact O-N 3.11Å; F84-V86 PolarHBondContact O-N 3.32Å
87Y81.6Confident83.7Confident10 Ų1040.5 Ų40.54%0.03924%0.24CC..Hα-helixtrans-87.2-32.4-175.4-81.4-127.3000113.2L83 F84 Q85 V89 L100 V103 G707L83-Y87 HydrophobicContact CD1-CD2 4.1Å; L83-Y87 HydrophobicContact CD1-CE2 3.66Å; L83-Y87 HydrophobicContact CG-CD2 4.39Å; L83-Y87 HydrophobicContact CG-CE2 4.25Å; L83-Y87 WeakPolarHBondContact O-CD2 3.33Å; L83-Y87 PolarHBondContact O-N 2.93Å; F84-Y87 PolarHBondContact O-N 2.87Å; Q85-Y87 VanDerWaalsContact C-N 3.32Å; Y87-V89 PolarHBondContact O-N 2.66Å; Y87-V89 VanDerWaalsContact O-N 3.1Å; Y87-L100 HydrophobicContact CD1-CD1 4.01Å; Y87-L100 HydrophobicContact CE1-CD1 4.11Å; Y87-V103 HydrophobicContact CD1-CB 4.37Å; Y87-V103 HydrophobicContact CD1-CG1 3.92Å; Y87-V103 HydrophobicContact CD1-CG2 4.36Å; Y87-V103 HydrophobicContact CD2-CG1 4.25Å; Y87-V103 HydrophobicContact CE1-CB 4.43Å; Y87-V103 HydrophobicContact CE1-CG1 3.65Å; Y87-V103 HydrophobicContact CE2-CG1 3.98Å; Y87-V103 HydrophobicContact CG-CG1 4.22Å; Y87-V103 HydrophobicContact CG-CG2 4.33Å; Y87-G707 WeakPolarHBondContact OH-CA 3.11Å; Y87-G707 PolarHBondContact OH-N 2.96Å
88D87.4Confident83.9Confident10 Ų1044 Ų445%0.05326%0.257CS..  trans-73.687.4174.4175.47.6000109.9R46 F84 G91 S92 G93 I95R46-D88 PolarHBondContact NH2-O 3.01Å; F84-D88 HydrophobicContact CD1-CB 4.44Å; F84-D88 HydrophobicContact CE1-CB 4.13Å; F84-D88 WeakPolarHBondContact O-CB 3.33Å; F84-D88 PolarHBondContact O-N 3.43Å; D88-G91 WeakPolarHBondContact OD1-CA 3.41Å; D88-G91 PolarHBondContact OD1-N 2.94Å; D88-G91 WeakPolarHBondContact OD2-CA 3.47Å; D88-S92 PolarHBondContact OD1-N 3.45Å; D88-G93 WeakPolarHBondContact OD2-CA 3.34Å; D88-G93 PolarHBondContact OD2-N 2.84Å; D88-I95 HydrophobicContact CB-CG1 4.34Å
89V81.4Confident84.2Confident52 Ų5241.4 Ų41.432%0.31524%0.243SC..SBendtrans-69.7-39.8-168.2-179.30000110.8F42 R46 Y87 E99F42-V89 HydrophobicContact CE2-CG2 4.49Å; F42-V89 HydrophobicContact CZ-CG2 4.08Å; R46-V89 PolarHBondContact NH1-O 3.28Å; Y87-V89 PolarHBondContact O-N 2.66Å; Y87-V89 VanDerWaalsContact O-N 3.1Å; V89-E99 WeakPolarHBondContact CA-OE1 3.36Å; V89-E99 HydrophobicContact CB-CG 4.16Å; V89-E99 WeakPolarHBondContact CB-OE1 3.42Å; V89-E99 HydrophobicContact CG2-CB 4.35Å; V89-E99 HydrophobicContact CG2-CG 4.27Å; V89-E99 PolarHBondContact N-OE1 3.21Å
90D83.8Confident84.7Confident109 Ų10940.3 Ų40.358%0.58324%0.238SC*.SBendtrans-88.4-9.5-178.277.2-5.2000114.3S92 E99D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.76Å; D90-S92 PolarHBondContact OD1-OG 3.41Å; D90-E99 PolarHBondContact N-OE1 2.78Å
91G83.9Confident85.1Confident56 Ų5643 Ų4358%0.57725%0.248SC*.  trans75.121179.700000112.9D88 G93D88-G91 WeakPolarHBondContact OD1-CA 3.41Å; D88-G91 PolarHBondContact OD1-N 2.94Å; D88-G91 WeakPolarHBondContact OD2-CA 3.47Å; G91-G93 PolarHBondContact O-N 3.29Å
92S86Confident85.2Confident66 Ų6640.3 Ų40.346%0.46225%0.245SC..SBendtrans-67.9-16.2-178.961.20000113.2D88 D90 S94D88-S92 PolarHBondContact OD1-N 3.45Å; D90-S92 VanDerWaalsContact C-N 3.31Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.76Å; D90-S92 PolarHBondContact OD1-OG 3.41Å; S92-S94 PolarHBondContact OG-O 3.1Å; S92-S94 PolarHBondContact OG-OG 3.05Å
93G87.4Confident85.3Confident45 Ų4539.7 Ų39.746%0.46424%0.242SC..SBendtrans85.311.4-175.800000113.7F84 D88 G91F84-G93 WeakPolarHBondContact CZ-O 3.43Å; D88-G93 WeakPolarHBondContact OD2-CA 3.34Å; D88-G93 PolarHBondContact OD2-N 2.84Å; G91-G93 PolarHBondContact O-N 3.29Å
94S89.9Confident85.5Confident31 Ų3139.5 Ų39.522%0.21724%0.241CC..SBendtrans-147.2145.5175.459.70000109.5S92S92-S94 PolarHBondContact OG-O 3.1Å; S92-S94 PolarHBondContact OG-OG 3.05Å
95I89.3Confident85.6Confident2 Ų242 Ų421%0.0125%0.252CS..BIsolated β-bridgetrans-97.6118.7179.2-57.8160.6000109.3F84 D88 E99 L100 I139 L144F84-I95 HydrophobicContact CD2-CD1 3.67Å; F84-I95 HydrophobicContact CD2-CG1 4.23Å; F84-I95 HydrophobicContact CE2-CD1 3.69Å; F84-I95 HydrophobicContact CE2-CG1 3.81Å; F84-I95 HydrophobicContact CG-CD1 4.46Å; F84-I95 HydrophobicContact CZ-CD1 4.49Å; F84-I95 HydrophobicContact CZ-CG1 4.18Å; D88-I95 HydrophobicContact CB-CG1 4.34Å; I95-E99 WeakPolarHBondContact CA-OE2 3.34Å; I95-E99 HydrophobicContact CG2-CB 4.3Å; I95-L100 HydrophobicContact CG2-CB 4.17Å; I95-I139 HydrophobicContact CB-CB 4.24Å; I95-I139 PolarHBondContact N-O 3.02Å; I95-I139 PolarHBondContact O-N 3.21Å; I95-L144 HydrophobicContact CD1-CD2 4.01Å
96D89.6Confident85.3Confident48 Ų4838.7 Ų38.726%0.25724%0.238SC..  trans-87.6165.7177.178.554.2000112.9D98 E99 L100D96-D98 VanDerWaalsContact C-N 3.31Å; D96-D98 PolarHBondContact O-N 3.35Å; D96-D98 WeakPolarHBondContact OD1-CA 3.05Å; D96-D98 WeakPolarHBondContact OD1-CB 3.38Å; D96-D98 PolarHBondContact OD1-N 3.41Å; D96-E99 PolarHBondContact N-OE2 2.98Å; D96-E99 PolarHBondContact O-N 2.88Å; D96-E99 PolarHBondContact OD1-N 3.41Å; D96-E99 WeakPolarHBondContact OD2-CG 3.47Å; D96-L100 WeakPolarHBondContact O-CB 3.49Å; D96-L100 PolarHBondContact O-N 3.47Å
97P88.6Confident85.1Confident53 Ų5338.7 Ų38.734%0.34424%0.238SC..Hα-helixtrans-60.7-34.2-179.6-23.432.8000114.5R101 T124 F128P97-R101 VanDerWaalsContact O-CB 3.24Å; P97-R101 WeakPolarHBondContact O-CB 3.18Å; P97-R101 PolarHBondContact O-N 3Å; P97-T124 WeakPolarHBondContact O-CG2 3.48Å; P97-F128 HydrophobicContact CB-CD2 4.27Å; P97-F128 HydrophobicContact CB-CE2 4.31Å; P97-F128 HydrophobicContact CG-CD2 3.98Å; P97-F128 HydrophobicContact CG-CE1 4.26Å; P97-F128 HydrophobicContact CG-CE2 3.59Å; P97-F128 HydrophobicContact CG-CG 4.47Å; P97-F128 HydrophobicContact CG-CZ 3.76Å
98D87.8Confident84.8Confident117 Ų11738.8 Ų38.863%0.62624%0.239SC*.Hα-helixtrans-75.7-36.4-178.2-72.6-40.2000111.2D96 R101 T102D96-D98 VanDerWaalsContact C-N 3.31Å; D96-D98 PolarHBondContact O-N 3.35Å; D96-D98 WeakPolarHBondContact OD1-CA 3.05Å; D96-D98 WeakPolarHBondContact OD1-CB 3.38Å; D96-D98 PolarHBondContact OD1-N 3.41Å; D98-R101 PolarHBondContact O-N 3.5Å; D98-T102 WeakPolarHBondContact O-CB 3.36Å; D98-T102 PolarHBondContact O-N 3.26Å; D98-T102 PolarHBondContact O-OG1 3.46Å
99E87.4Confident84.2Confident11 Ų1143.3 Ų43.35%0.05126%0.26CS..Hα-helixtrans-62.1-50.7169.7-70.9-175.8131.700111.1V89 D90 I95 D96 R101 T102 V103V89-E99 WeakPolarHBondContact CA-OE1 3.36Å; V89-E99 HydrophobicContact CB-CG 4.16Å; V89-E99 WeakPolarHBondContact CB-OE1 3.42Å; V89-E99 HydrophobicContact CG2-CB 4.35Å; V89-E99 HydrophobicContact CG2-CG 4.27Å; V89-E99 PolarHBondContact N-OE1 3.21Å; D90-E99 PolarHBondContact N-OE1 2.78Å; I95-E99 WeakPolarHBondContact CA-OE2 3.34Å; I95-E99 HydrophobicContact CG2-CB 4.3Å; D96-E99 PolarHBondContact N-OE2 2.98Å; D96-E99 PolarHBondContact O-N 2.88Å; D96-E99 PolarHBondContact OD1-N 3.41Å; D96-E99 WeakPolarHBondContact OD2-CG 3.47Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 3.43Å; E99-T102 WeakPolarHBondContact O-CB 3.32Å; E99-T102 PolarHBondContact O-N 3.09Å; E99-V103 WeakPolarHBondContact O-CG2 3.3Å; E99-V103 PolarHBondContact O-N 3.27Å
100L85.8Confident83.6Confident4 Ų443 Ų432%0.02126%0.255CS..Hα-helixtrans-58.5-42.8177.7-174.961.1000111.2Y87 I95 D96 T102 V103 L104 T124 L127 F128 I139Y87-L100 HydrophobicContact CD1-CD1 4.01Å; Y87-L100 HydrophobicContact CE1-CD1 4.11Å; I95-L100 HydrophobicContact CG2-CB 4.17Å; D96-L100 WeakPolarHBondContact O-CB 3.49Å; D96-L100 PolarHBondContact O-N 3.47Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-T102 PolarHBondContact O-N 3.08Å; L100-V103 PolarHBondContact O-N 2.88Å; L100-L104 HydrophobicContact CG-CD1 4.3Å; L100-L104 WeakPolarHBondContact O-CB 3.23Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.98Å; L100-T124 HydrophobicContact CB-CG2 4.25Å; L100-T124 HydrophobicContact CD2-CG2 4.22Å; L100-T124 HydrophobicContact CG-CG2 4.21Å; L100-L127 HydrophobicContact CD1-CD2 3.89Å; L100-L127 HydrophobicContact CD2-CB 4.35Å; L100-L127 HydrophobicContact CD2-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CG 4.19Å; L100-L127 HydrophobicContact CG-CD2 4.37Å; L100-F128 HydrophobicContact CD2-CB 4.11Å; L100-F128 HydrophobicContact CD2-CD2 4.11Å; L100-I139 HydrophobicContact CD2-CD1 4.13Å
101R87.5Confident82.8Confident59 Ų5938.1 Ų38.122%0.22323%0.23CC..Hα-helixtrans-60.6-43175.1-171.5-179.2-176.5-75.3-8.4111.9P97 D98 E99 L104 K105 E117 L120 D121 T124P97-R101 VanDerWaalsContact O-CB 3.24Å; P97-R101 WeakPolarHBondContact O-CB 3.18Å; P97-R101 PolarHBondContact O-N 3Å; D98-R101 PolarHBondContact O-N 3.5Å; E99-R101 VanDerWaalsContact C-N 3.27Å; E99-R101 PolarHBondContact O-N 3.43Å; R101-L104 PolarHBondContact O-N 3.29Å; R101-K105 VanDerWaalsContact O-CB 3.28Å; R101-K105 WeakPolarHBondContact O-CB 3.25Å; R101-K105 PolarHBondContact O-N 3.5Å; R101-E117 IonicContact CZ-OE2 2.78Å; R101-E117 IonicContact NH1-OE2 2.72Å; R101-E117 IonicContact NH2-OE2 2.95Å; R101-E117 PolarHBondContact NH2-OE2 3.15Å; R101-L120 HydrophobicContact CG-CD2 4.44Å; R101-L120 HydrophobicContact CG-CG 4.38Å; R101-D121 IonicContact CZ-OD1 3.88Å; R101-D121 VanDerWaalsContact CZ-OD1 3.25Å; R101-D121 IonicContact NE-OD1 3.99Å; R101-D121 PolarHBondContact NE-OD1 2.79Å; R101-D121 IonicContact NH2-OD1 3.5Å; R101-D121 PolarHBondContact NH2-OD1 2.71Å; R101-T124 HydrophobicContact CB-CG2 3.87Å
102T86.2Confident82.1Confident62 Ų6237.1 Ų37.138%0.3822%0.215SC..Hα-helixtrans-63.5-47179.2-62.30000110.7F42 D98 E99 L100 K105 S106F42-T102 HydrophobicContact CE2-CG2 3.95Å; F42-T102 HydrophobicContact CZ-CG2 4.32Å; D98-T102 WeakPolarHBondContact O-CB 3.36Å; D98-T102 PolarHBondContact O-N 3.26Å; D98-T102 PolarHBondContact O-OG1 3.46Å; E99-T102 WeakPolarHBondContact O-CB 3.32Å; E99-T102 PolarHBondContact O-N 3.09Å; L100-T102 VanDerWaalsContact C-N 3.34Å; L100-T102 PolarHBondContact O-N 3.08Å; T102-K105 WeakPolarHBondContact O-CB 3.48Å; T102-K105 PolarHBondContact O-N 2.92Å; T102-S106 PolarHBondContact O-N 3.23Å; T102-S106 PolarHBondContact O-OG 2.81Å
103V82.3Confident81.5Confident0 Ų034.4 Ų34.40%020%0.196CC..Hα-helixtrans-58.7-52175.7176.90000110.1F42 F43 Y87 E99 L100 K105 S106 C107F42-V103 HydrophobicContact CE1-CG2 4.02Å; F42-V103 HydrophobicContact CZ-CG2 3.97Å; F43-V103 HydrophobicContact CE1-CG1 4.31Å; F43-V103 HydrophobicContact CZ-CG1 3.94Å; Y87-V103 HydrophobicContact CD1-CB 4.37Å; Y87-V103 HydrophobicContact CD1-CG1 3.92Å; Y87-V103 HydrophobicContact CD1-CG2 4.36Å; Y87-V103 HydrophobicContact CD2-CG1 4.25Å; Y87-V103 HydrophobicContact CE1-CB 4.43Å; Y87-V103 HydrophobicContact CE1-CG1 3.65Å; Y87-V103 HydrophobicContact CE2-CG1 3.98Å; Y87-V103 HydrophobicContact CG-CG1 4.22Å; Y87-V103 HydrophobicContact CG-CG2 4.33Å; E99-V103 WeakPolarHBondContact O-CG2 3.3Å; E99-V103 PolarHBondContact O-N 3.27Å; L100-V103 PolarHBondContact O-N 2.88Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.88Å; V103-S106 PolarHBondContact O-N 3.36Å; V103-S106 VanDerWaalsContact O-N 3.15Å; V103-C107 PolarHBondContact O-N 3.44Å; V103-C107 PolarHBondContact O-SG 3.04Å
104L81.8Confident80.9Confident0 Ų035.9 Ų35.90%020%0.199CC..Hα-helixtrans-59.4-38.1178.7-71.7177.4000112.6L100 R101 C107 L108 L120 L127 L708 A711L100-L104 HydrophobicContact CG-CD1 4.3Å; L100-L104 WeakPolarHBondContact O-CB 3.23Å; L100-L104 VanDerWaalsContact O-CG 3.29Å; L100-L104 WeakPolarHBondContact O-CG 3.43Å; L100-L104 PolarHBondContact O-N 2.98Å; R101-L104 PolarHBondContact O-N 3.29Å; L104-C107 WeakPolarHBondContact O-CB 3.25Å; L104-C107 PolarHBondContact O-N 2.91Å; L104-L108 WeakPolarHBondContact O-CG 3.47Å; L104-L108 PolarHBondContact O-N 2.88Å; L104-L120 HydrophobicContact CB-CD1 3.72Å; L104-L127 HydrophobicContact CD1-CD2 4.43Å; L104-L127 HydrophobicContact CD2-CD2 4.48Å; L104-L708 HydrophobicContact CD2-CB 4.09Å; L104-L708 HydrophobicContact CD2-CD1 4.31Å; L104-A711 HydrophobicContact CD1-CB 4.46Å; L104-A711 HydrophobicContact CD2-CB 4.33Å
105K84.8Confident80.3Confident63 Ų6335.8 Ų35.827%0.27420%0.196SC..Hα-helixtrans-63.1-46.3175.3-172.1167.6-179.2148.20111.6R101 T102 V103 C107 L108 Q109 E117 L120R101-K105 VanDerWaalsContact O-CB 3.28Å; R101-K105 WeakPolarHBondContact O-CB 3.25Å; R101-K105 PolarHBondContact O-N 3.5Å; T102-K105 WeakPolarHBondContact O-CB 3.48Å; T102-K105 PolarHBondContact O-N 2.92Å; V103-K105 VanDerWaalsContact C-N 3.29Å; V103-K105 PolarHBondContact O-N 2.88Å; K105-C107 VanDerWaalsContact C-N 3.35Å; K105-L108 WeakPolarHBondContact O-CB 3.45Å; K105-L108 PolarHBondContact O-N 2.91Å; K105-Q109 WeakPolarHBondContact O-CG 3.14Å; K105-Q109 PolarHBondContact O-N 2.81Å; K105-E117 IonicContact NZ-OE1 3.6Å; K105-E117 PolarHBondContact NZ-OE1 3.42Å; K105-E117 IonicContact NZ-OE2 3.27Å; K105-E117 PolarHBondContact NZ-OE2 3.32Å; K105-L120 HydrophobicContact CB-CD2 3.84Å; K105-L120 HydrophobicContact CD-CD2 4.23Å; K105-L120 HydrophobicContact CG-CD2 4.06Å
106S78.9Confident80Confident14 Ų1439.5 Ų39.510%0.09822%0.22CC..Hα-helixtrans-64.2-38.9175.5-65.30000111.7F42 T102 V103 L108 Q109 E110F42-S106 WeakPolarHBondContact CG-OG 3.32Å; T102-S106 PolarHBondContact O-N 3.23Å; T102-S106 PolarHBondContact O-OG 2.81Å; V103-S106 PolarHBondContact O-N 3.36Å; V103-S106 VanDerWaalsContact O-N 3.15Å; S106-L108 VanDerWaalsContact C-N 3.33Å; S106-L108 PolarHBondContact O-N 2.75Å; S106-Q109 PolarHBondContact O-N 3.08Å; S106-E110 PolarHBondContact O-N 3.04Å
107C76.1Confident79.7Confident0 Ų041.6 Ų41.60%023%0.228CC..Hα-helixtrans-59.6-43.5171.9-57.20000111.8F43 V103 L104 K105 E110 S111 K704 L708F43-C107 VanDerWaalsContact CZ-SG 3.51Å; V103-C107 PolarHBondContact O-N 3.44Å; V103-C107 PolarHBondContact O-SG 3.04Å; L104-C107 WeakPolarHBondContact O-CB 3.25Å; L104-C107 PolarHBondContact O-N 2.91Å; K105-C107 VanDerWaalsContact C-N 3.35Å; C107-E110 PolarHBondContact O-N 3.2Å; C107-S111 VanDerWaalsContact O-CB 3.22Å; C107-S111 WeakPolarHBondContact O-CB 3.34Å; C107-S111 PolarHBondContact O-N 2.77Å; C107-S111 PolarHBondContact O-OG 3.1Å; C107-K704 PolarHBondContact SG-O 3.46Å; C107-L708 HydrophobicContact CB-CB 3.9Å; C107-L708 HydrophobicContact CB-CD2 3.75Å; C107-L708 HydrophobicContact CB-CG 4.35Å
108L75.4Confident79.6Confident13 Ų1346.3 Ų46.37%0.06825%0.246CC..Hα-helixtrans-65-42.1178.4-78.1174.6000111.6L104 K105 S106 S111 I113 L115 L120 L708L104-L108 WeakPolarHBondContact O-CG 3.47Å; L104-L108 PolarHBondContact O-N 2.88Å; K105-L108 WeakPolarHBondContact O-CB 3.45Å; K105-L108 PolarHBondContact O-N 2.91Å; S106-L108 VanDerWaalsContact C-N 3.33Å; S106-L108 PolarHBondContact O-N 2.75Å; L108-S111 WeakPolarHBondContact CA-OG 3.26Å; L108-S111 CarbonylContact O-C 3.58Å; L108-S111 PolarHBondContact O-N 2.89Å; L108-S111 PolarHBondContact O-OG 2.82Å; L108-I113 HydrophobicContact CD2-CB 3.82Å; L108-I113 HydrophobicContact CD2-CG2 3.6Å; L108-I113 VanDerWaalsContact O-O 3.09Å; L108-L115 HydrophobicContact CD1-CB 4.32Å; L108-L115 HydrophobicContact CD1-CD1 4.07Å; L108-L115 HydrophobicContact CD2-CD1 3.79Å; L108-L115 HydrophobicContact CD2-CG 4.24Å; L108-L120 HydrophobicContact CD1-CB 4.44Å; L108-L120 HydrophobicContact CD1-CD1 3.82Å; L108-L708 HydrophobicContact CD2-CD1 3.72Å; L108-L708 HydrophobicContact CD2-CD2 3.94Å; L108-L708 HydrophobicContact CD2-CG 4.48Å; L108-L708 HydrophobicContact CG-CD1 3.92Å; L108-L708 HydrophobicContact CG-CD2 4.29Å
109Q74.3Confident79.3Confident105 Ų10543.7 Ų43.749%0.49123%0.229SC..Hα-helixtrans-64.9-38.9176.7-72.3171-26.100112.6K105 S106K105-Q109 WeakPolarHBondContact O-CG 3.14Å; K105-Q109 PolarHBondContact O-N 2.81Å; S106-Q109 PolarHBondContact O-N 3.08Å
110E69.6Low79.3Confident45 Ų4543.4 Ų43.421%0.2123%0.228CC..Hα-helixtrans-71.6-37175-75.9-159.7-172.900112.7E40 F43 S106 C107 L698 K704E40-E110 HydrophobicContact CB-CG 4.14Å; E40-E110 HydrophobicContact CG-CG 4.49Å; F43-E110 WeakPolarHBondContact CD2-OE1 3.4Å; S106-E110 PolarHBondContact O-N 3.04Å; C107-E110 PolarHBondContact O-N 3.2Å; E110-L698 HydrophobicContact CB-CD1 4.24Å; E110-K704 IonicContact OE1-NZ 3.11Å; E110-K704 PolarHBondContact OE1-NZ 3.03Å; E110-K704 WeakPolarHBondContact OE2-CD 3.24Å; E110-K704 WeakPolarHBondContact OE2-CE 3.36Å; E110-K704 IonicContact OE2-NZ 3.02Å; E110-K704 PolarHBondContact OE2-NZ 3.42Å
111S66.4Low79.4Confident7 Ų746.4 Ų46.45%0.04924%0.244CC..THydrogen-bonded Turntrans-75150.9172.978.70000110.1C107 L108 I113C107-S111 VanDerWaalsContact O-CB 3.22Å; C107-S111 WeakPolarHBondContact O-CB 3.34Å; C107-S111 PolarHBondContact O-N 2.77Å; C107-S111 PolarHBondContact O-OG 3.1Å; L108-S111 WeakPolarHBondContact CA-OG 3.26Å; L108-S111 CarbonylContact O-C 3.58Å; L108-S111 PolarHBondContact O-N 2.89Å; L108-S111 PolarHBondContact O-OG 2.82Å; S111-I113 PolarHBondContact O-N 2.98Å; S111-I113 VanDerWaalsContact OG-CB 3.28Å; S111-I113 WeakPolarHBondContact OG-CB 3.44Å; S111-I113 WeakPolarHBondContact OG-CG1 3.46Å; S111-I113 PolarHBondContact OG-N 2.69Å
112A68.8Low79.3Confident34 Ų3446.7 Ų46.728%0.28125%0.25SS..THydrogen-bonded Turntrans-75.832.817400000113.2D660 S696A112-D660 HydrophobicContact CB-CB 4.19Å; A112-S696 WeakPolarHBondContact CB-OG 3.25Å
113I73.8Confident79.2Confident9 Ų943.8 Ų43.85%0.04623%0.232CC..  trans-104.2127.9-176.6-55.6176.4000108.4L108 S111 L115 M694 L708 L712 I724L108-I113 HydrophobicContact CD2-CB 3.82Å; L108-I113 HydrophobicContact CD2-CG2 3.6Å; L108-I113 VanDerWaalsContact O-O 3.09Å; S111-I113 PolarHBondContact O-N 2.98Å; S111-I113 VanDerWaalsContact OG-CB 3.28Å; S111-I113 WeakPolarHBondContact OG-CB 3.44Å; S111-I113 WeakPolarHBondContact OG-CG1 3.46Å; S111-I113 PolarHBondContact OG-N 2.69Å; I113-L115 HydrophobicContact CG2-CD1 4.3Å; I113-L115 HydrophobicContact CG2-CD2 4.46Å; I113-L115 HydrophobicContact CG2-CG 3.94Å; I113-M694 HydrophobicContact CD1-CE 3.67Å; I113-M694 HydrophobicContact CG1-CE 3.32Å; I113-M694 HydrophobicContact CG1-SD 4.48Å; I113-L708 HydrophobicContact CD1-CD2 4.45Å; I113-L712 HydrophobicContact CD1-CD1 4.4Å; I113-I724 HydrophobicContact CD1-CD1 4.05Å; I113-I724 HydrophobicContact CD1-CG1 4.5Å; I113-I724 HydrophobicContact CG2-CG1 4.44Å
114S74.3Confident79.4Confident77 Ų7744.1 Ų44.154%0.53823%0.234SC..  trans-118.4110.2175.8-171.10000108.1Q661S114-Q661 PolarHBondContact O-NE2 3.35Å; S114-Q661 PolarHBondContact O-OE1 2.93Å; S114-Q661 VanDerWaalsContact O-OE1 3.12Å
115L77.9Confident79.7Confident28 Ų2848.3 Ų48.315%0.14726%0.256CS..  trans-112.4147174-65.9173.2000110.1L108 I113 K119 L123 L712 S723L108-L115 HydrophobicContact CD1-CB 4.32Å; L108-L115 HydrophobicContact CD1-CD1 4.07Å; L108-L115 HydrophobicContact CD2-CD1 3.79Å; L108-L115 HydrophobicContact CD2-CG 4.24Å; I113-L115 HydrophobicContact CG2-CD1 4.3Å; I113-L115 HydrophobicContact CG2-CD2 4.46Å; I113-L115 HydrophobicContact CG2-CG 3.94Å; L115-K119 HydrophobicContact CB-CB 4.41Å; L115-L123 HydrophobicContact CD1-CD1 3.44Å; L115-L123 VanDerWaalsContact CD1-CD1 3.44Å; L115-L712 HydrophobicContact CD1-CD2 4.41Å; L115-S723 WeakPolarHBondContact CD2-O 3.41Å
116P83.2Confident79.8Confident81 Ų8146 Ų4653%0.52625%0.247SC..  trans-57.5148.5166.1-20.832.3000111.2E118 K119 L120P116-E118 PolarHBondContact O-N 2.9Å; P116-K119 PolarHBondContact O-N 2.88Å; P116-L120 PolarHBondContact O-N 3Å; P116-L120 VanDerWaalsContact O-N 3.16Å
117E83.4Confident80.1Confident91 Ų9145.9 Ų45.943%0.42525%0.245SC..Hα-helixtrans-58.2-36.9179.3-65.6-81.3163.400111.7R101 K105 K119 L120 D121R101-E117 IonicContact CZ-OE2 2.78Å; R101-E117 IonicContact NH1-OE2 2.72Å; R101-E117 IonicContact NH2-OE2 2.95Å; R101-E117 PolarHBondContact NH2-OE2 3.15Å; K105-E117 IonicContact NZ-OE1 3.6Å; K105-E117 PolarHBondContact NZ-OE1 3.42Å; K105-E117 IonicContact NZ-OE2 3.27Å; K105-E117 PolarHBondContact NZ-OE2 3.32Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.43Å; E117-L120 WeakPolarHBondContact O-CB 3.42Å; E117-L120 PolarHBondContact O-N 3.11Å; E117-D121 VanDerWaalsContact O-CG 3.22Å; E117-D121 PolarHBondContact O-N 3.12Å
118E85.6Confident80.6Confident153 Ų15346.8 Ų46.872%0.71525%0.249SC*.Hα-helixtrans-56.5-40.3174.4-63.6173.1-17500112.6P116 D121 D122P116-E118 PolarHBondContact O-N 2.9Å; E118-D121 PolarHBondContact O-N 3.35Å; E118-D122 PolarHBondContact O-N 3.09Å
119K82.5Confident81.2Confident61 Ų6151.4 Ų51.427%0.26527%0.271SS..Hα-helixtrans-74.7-28178.3-78.1-70.8180-173.10112.6L115 P116 E117 D121 D122 L123 E719L115-K119 HydrophobicContact CB-CB 4.41Å; P116-K119 PolarHBondContact O-N 2.88Å; E117-K119 VanDerWaalsContact C-N 3.28Å; E117-K119 PolarHBondContact O-N 3.43Å; K119-D121 VanDerWaalsContact C-N 3.35Å; K119-D122 IonicContact NZ-OD2 2.71Å; K119-L123 WeakPolarHBondContact O-CB 3.31Å; K119-L123 VanDerWaalsContact O-CG 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.94Å; K119-E719 IonicContact NZ-OE1 2.82Å; K119-E719 PolarHBondContact NZ-OE1 3.47Å; K119-E719 IonicContact NZ-OE2 2.77Å; K119-E719 PolarHBondContact NZ-OE2 2.95Å
120L86.3Confident81.7Confident5 Ų547.6 Ų47.63%0.02626%0.256CS..Hα-helixtrans-68.1-39.7170.9170.661.7000110.4R101 L104 K105 L108 P116 E117 L123 T124R101-L120 HydrophobicContact CG-CD2 4.44Å; R101-L120 HydrophobicContact CG-CG 4.38Å; L104-L120 HydrophobicContact CB-CD1 3.72Å; K105-L120 HydrophobicContact CB-CD2 3.84Å; K105-L120 HydrophobicContact CD-CD2 4.23Å; K105-L120 HydrophobicContact CG-CD2 4.06Å; L108-L120 HydrophobicContact CD1-CB 4.44Å; L108-L120 HydrophobicContact CD1-CD1 3.82Å; P116-L120 PolarHBondContact O-N 3Å; P116-L120 VanDerWaalsContact O-N 3.16Å; E117-L120 WeakPolarHBondContact O-CB 3.42Å; E117-L120 PolarHBondContact O-N 3.11Å; L120-L123 PolarHBondContact O-N 3.48Å; L120-T124 WeakPolarHBondContact O-CB 3.49Å; L120-T124 PolarHBondContact O-N 3.42Å; L120-T124 PolarHBondContact O-OG1 3Å
121D87.8Confident82.6Confident68 Ų6845.6 Ų45.636%0.36425%0.247SC..Hα-helixtrans-64-44.5175.8-57.2-23000110.4R101 E117 E118 K119 L123 T124 L125R101-D121 IonicContact CZ-OD1 3.88Å; R101-D121 VanDerWaalsContact CZ-OD1 3.25Å; R101-D121 IonicContact NE-OD1 3.99Å; R101-D121 PolarHBondContact NE-OD1 2.79Å; R101-D121 IonicContact NH2-OD1 3.5Å; R101-D121 PolarHBondContact NH2-OD1 2.71Å; E117-D121 VanDerWaalsContact O-CG 3.22Å; E117-D121 PolarHBondContact O-N 3.12Å; E118-D121 PolarHBondContact O-N 3.35Å; K119-D121 VanDerWaalsContact C-N 3.35Å; D121-L123 PolarHBondContact O-N 2.87Å; D121-T124 PolarHBondContact O-N 3.36Å; D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 PolarHBondContact O-N 3.05Å
122D85.7Confident83.7Confident65 Ų6546 Ų4635%0.34825%0.248SC..Hα-helixtrans-58.3-44.3173.4-70.4-24.7000112.5E118 K119 L125 V126 L715E118-D122 PolarHBondContact O-N 3.09Å; K119-D122 IonicContact NZ-OD2 2.71Å; D122-L125 PolarHBondContact O-N 2.81Å; D122-V126 WeakPolarHBondContact O-CB 3.34Å; D122-V126 VanDerWaalsContact O-CG2 3.28Å; D122-V126 WeakPolarHBondContact O-CG2 3.08Å; D122-V126 PolarHBondContact O-N 3.2Å; D122-L715 HydrophobicContact CB-CD1 4.34Å; D122-L715 HydrophobicContact CB-CD2 4.45Å
123L84.3Confident84.5Confident0 Ų050.8 Ų50.80%026%0.263CS..Hα-helixtrans-61.8-44.5177.3-80.4170.4000111.7L115 K119 L120 D121 L127 A711 L712 L715L115-L123 HydrophobicContact CD1-CD1 3.44Å; L115-L123 VanDerWaalsContact CD1-CD1 3.44Å; K119-L123 WeakPolarHBondContact O-CB 3.31Å; K119-L123 VanDerWaalsContact O-CG 3.25Å; K119-L123 WeakPolarHBondContact O-CG 3.48Å; K119-L123 PolarHBondContact O-N 2.94Å; L120-L123 PolarHBondContact O-N 3.48Å; D121-L123 PolarHBondContact O-N 2.87Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 PolarHBondContact O-N 2.78Å; L123-A711 HydrophobicContact CB-CB 4.22Å; L123-A711 HydrophobicContact CD2-CB 3.82Å; L123-A711 VanDerWaalsContact CD2-O 3.3Å; L123-A711 WeakPolarHBondContact CD2-O 3.41Å; L123-L712 HydrophobicContact CD1-CD2 4.18Å; L123-L712 HydrophobicContact CD2-CD2 4.06Å; L123-L712 HydrophobicContact CD2-CG 4.31Å; L123-L715 HydrophobicContact CD2-CB 3.74Å; L123-L715 HydrophobicContact CD2-CD2 3.5Å; L123-L715 VanDerWaalsContact CD2-CD2 3.5Å; L123-L715 HydrophobicContact CD2-CG 4.25Å; L123-L715 HydrophobicContact CG-CD2 3.7Å
124T86.3Confident85.1Confident8 Ų855.4 Ų55.45%0.04929%0.287CS..Hα-helixtrans-62.3-50.2179.3-53.60000109.5P97 L100 R101 L120 D121 V126 L127 F128P97-T124 WeakPolarHBondContact O-CG2 3.48Å; L100-T124 HydrophobicContact CB-CG2 4.25Å; L100-T124 HydrophobicContact CD2-CG2 4.22Å; L100-T124 HydrophobicContact CG-CG2 4.21Å; R101-T124 HydrophobicContact CB-CG2 3.87Å; L120-T124 WeakPolarHBondContact O-CB 3.49Å; L120-T124 PolarHBondContact O-N 3.42Å; L120-T124 PolarHBondContact O-OG1 3Å; D121-T124 PolarHBondContact O-N 3.36Å; T124-V126 PolarHBondContact O-N 3.44Å; T124-L127 PolarHBondContact O-N 3.4Å; T124-F128 WeakPolarHBondContact O-CB 3.47Å; T124-F128 PolarHBondContact O-N 2.91Å
125L88.1Confident85.6Confident88 Ų8856.5 Ų56.546%0.46130%0.295SS..Hα-helixtrans-59.9-46.3-179.4-174.770.3000111.7D121 D122 L127 F128 E129D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 PolarHBondContact O-N 3.05Å; D122-L125 PolarHBondContact O-N 2.81Å; L125-L127 PolarHBondContact O-N 2.67Å; L125-F128 PolarHBondContact O-N 3.25Å; L125-E129 HydrophobicContact CD1-CG 4.33Å; L125-E129 HydrophobicContact CG-CG 4.32Å; L125-E129 WeakPolarHBondContact O-CB 3.49Å; L125-E129 VanDerWaalsContact O-CG 3.28Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.72Å
126V86.8Confident86Confident14 Ų1458.2 Ų58.29%0.08531%0.31CS..Hα-helixtrans-65.8-39.8-179.1168.40000112.2D122 T124 S130 L714 L715 K718D122-V126 WeakPolarHBondContact O-CB 3.34Å; D122-V126 VanDerWaalsContact O-CG2 3.28Å; D122-V126 WeakPolarHBondContact O-CG2 3.08Å; D122-V126 PolarHBondContact O-N 3.2Å; T124-V126 PolarHBondContact O-N 3.44Å; V126-S130 WeakPolarHBondContact O-CB 3.13Å; V126-S130 PolarHBondContact O-N 2.76Å; V126-S130 VanDerWaalsContact O-N 3.15Å; V126-L714 HydrophobicContact CG1-CB 3.48Å; V126-L714 VanDerWaalsContact CG1-CB 3.48Å; V126-L715 HydrophobicContact CG2-CD1 3.92Å; V126-K718 HydrophobicContact CG2-CD 3.61Å
127L84.8Confident86.2Confident11 Ų1156.4 Ų56.46%0.05831%0.305CS..Hα-helixtrans-68.2-41175.7-178.162.4000110.9L100 L104 L123 T124 L125 S130 A131 M710 A711 L714L100-L127 HydrophobicContact CD1-CD2 3.89Å; L100-L127 HydrophobicContact CD2-CB 4.35Å; L100-L127 HydrophobicContact CD2-CD2 4.1Å; L100-L127 HydrophobicContact CD2-CG 4.19Å; L100-L127 HydrophobicContact CG-CD2 4.37Å; L104-L127 HydrophobicContact CD1-CD2 4.43Å; L104-L127 HydrophobicContact CD2-CD2 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.27Å; L123-L127 PolarHBondContact O-N 2.78Å; T124-L127 PolarHBondContact O-N 3.4Å; L125-L127 PolarHBondContact O-N 2.67Å; L127-S130 WeakPolarHBondContact O-CB 3.12Å; L127-S130 PolarHBondContact O-N 2.92Å; L127-A131 PolarHBondContact O-N 3.43Å; L127-M710 HydrophobicContact CD1-CB 4.19Å; L127-A711 HydrophobicContact CB-CB 4.05Å; L127-A711 HydrophobicContact CD2-CB 4.1Å; L127-L714 HydrophobicContact CD1-CD1 3.86Å
128F88.2Confident86.5Confident20 Ų2053.5 Ų53.59%0.08830%0.295CS..Hα-helixtrans-63.6-51.5178.9-166.4-85.6000111.8P97 L100 T124 L125 S130 A131 D132 G137 I139P97-F128 HydrophobicContact CB-CD2 4.27Å; P97-F128 HydrophobicContact CB-CE2 4.31Å; P97-F128 HydrophobicContact CG-CD2 3.98Å; P97-F128 HydrophobicContact CG-CE1 4.26Å; P97-F128 HydrophobicContact CG-CE2 3.59Å; P97-F128 HydrophobicContact CG-CG 4.47Å; P97-F128 HydrophobicContact CG-CZ 3.76Å; L100-F128 HydrophobicContact CD2-CB 4.11Å; L100-F128 HydrophobicContact CD2-CD2 4.11Å; T124-F128 WeakPolarHBondContact O-CB 3.47Å; T124-F128 PolarHBondContact O-N 2.91Å; L125-F128 PolarHBondContact O-N 3.25Å; F128-S130 PolarHBondContact O-N 3.26Å; F128-A131 PolarHBondContact O-N 3.01Å; F128-D132 HydrophobicContact CD1-CB 4.12Å; F128-D132 HydrophobicContact CE1-CB 3.78Å; F128-D132 WeakPolarHBondContact CE1-OD2 3.41Å; F128-D132 HydrophobicContact CZ-CB 4.3Å; F128-D132 WeakPolarHBondContact O-CB 3.37Å; F128-D132 PolarHBondContact O-N 2.94Å; F128-G137 VanDerWaalsContact CZ-C 3.49Å; F128-I139 HydrophobicContact CD2-CD1 3.65Å; F128-I139 HydrophobicContact CD2-CG1 3.95Å; F128-I139 HydrophobicContact CE2-CD1 3.93Å; F128-I139 HydrophobicContact CE2-CG1 3.75Å; F128-I139 HydrophobicContact CG-CD1 4.39Å; F128-I139 HydrophobicContact CZ-CG1 4.29Å
129E87.9Confident86.7Confident110 Ų11046.4 Ų46.451%0.51426%0.262SS..Hα-helixtrans-59.4-29.3175.1-73176169.300112.7L125 K718L125-E129 HydrophobicContact CD1-CG 4.33Å; L125-E129 HydrophobicContact CG-CG 4.32Å; L125-E129 WeakPolarHBondContact O-CB 3.49Å; L125-E129 VanDerWaalsContact O-CG 3.28Å; L125-E129 WeakPolarHBondContact O-CG 3.49Å; L125-E129 PolarHBondContact O-N 2.72Å; E129-K718 IonicContact OE2-NZ 2.74Å
130S85.1Confident87.1Confident25 Ų2546 Ų4618%0.17527%0.265CS..Hα-helixtrans-73.1-40175.2-159.90000111.4V126 L127 F128 K133 E147V126-S130 WeakPolarHBondContact O-CB 3.13Å; V126-S130 PolarHBondContact O-N 2.76Å; V126-S130 VanDerWaalsContact O-N 3.15Å; L127-S130 WeakPolarHBondContact O-CB 3.12Å; L127-S130 PolarHBondContact O-N 2.92Å; F128-S130 PolarHBondContact O-N 3.26Å; S130-K133 VanDerWaalsContact O-CE 3.27Å; S130-K133 WeakPolarHBondContact O-CE 3.39Å; S130-K133 PolarHBondContact O-NZ 3.38Å; S130-E147 PolarHBondContact OG-OE1 3.32Å
131A86.5Confident87.3Confident3 Ų346.6 Ų46.63%0.02527%0.267CS..Hα-helixtrans-84.1-44.2-175.300000113.4L127 F128 K133 I139 E147L127-A131 PolarHBondContact O-N 3.43Å; F128-A131 PolarHBondContact O-N 3.01Å; A131-K133 PolarHBondContact O-N 2.78Å; A131-I139 HydrophobicContact CB-CD1 3.72Å; A131-I139 HydrophobicContact CB-CG1 3.94Å; A131-I139 HydrophobicContact CB-CG2 4.05Å; A131-E147 HydrophobicContact CB-CG 4.43Å
132D90.4Very high87.4Confident15 Ų1549 Ų498%0.0828%0.276CS..  trans-74.389.1179.3-1795000110.2F128 D134 S135 S136 G137 I139F128-D132 HydrophobicContact CD1-CB 4.12Å; F128-D132 HydrophobicContact CE1-CB 3.78Å; F128-D132 WeakPolarHBondContact CE1-OD2 3.41Å; F128-D132 HydrophobicContact CZ-CB 4.3Å; F128-D132 WeakPolarHBondContact O-CB 3.37Å; F128-D132 PolarHBondContact O-N 2.94Å; D132-D134 VanDerWaalsContact OD1-OD1 3.08Å; D132-S135 WeakPolarHBondContact OD1-CA 3.26Å; D132-S135 PolarHBondContact OD1-N 3.08Å; D132-S135 WeakPolarHBondContact OD2-CA 3.37Å; D132-S136 PolarHBondContact OD1-N 3.28Å; D132-S136 PolarHBondContact OD2-N 3.48Å; D132-G137 PolarHBondContact OD2-N 2.8Å; D132-I139 HydrophobicContact CB-CG1 4.47Å
133K85.1Confident87.6Confident135 Ų13546.8 Ų46.859%0.58726%0.264SS*.SBendtrans-81.1-29.2-175.4-65.6-57.6-171.4-155.70111.7S130 A131 E143 E147S130-K133 VanDerWaalsContact O-CE 3.27Å; S130-K133 WeakPolarHBondContact O-CE 3.39Å; S130-K133 PolarHBondContact O-NZ 3.38Å; A131-K133 PolarHBondContact O-N 2.78Å; K133-E143 PolarHBondContact N-OE1 2.84Å; K133-E147 IonicContact NZ-OE2 3.81Å; K133-E147 PolarHBondContact NZ-OE2 3.26Å
134D86.7Confident87.6Confident105 Ų10548 Ų4856%0.56127%0.27SS*.SBendtrans-92.1-4.1-178.1745.6000113.4D132 S136 E143D132-D134 VanDerWaalsContact OD1-OD1 3.08Å; D134-S136 PolarHBondContact O-N 2.61Å; D134-S136 WeakPolarHBondContact OD1-CB 3.42Å; D134-S136 PolarHBondContact OD1-N 3.41Å; D134-S136 PolarHBondContact OD1-OG 3.48Å; D134-E143 PolarHBondContact N-OE1 3.01Å
135S85.3Confident87.6Confident101 Ų10149.4 Ų49.471%0.70628%0.276SS*.  trans59.333.6-178.7-54.90000112.5D132 G137D132-S135 WeakPolarHBondContact OD1-CA 3.26Å; D132-S135 PolarHBondContact OD1-N 3.08Å; D132-S135 WeakPolarHBondContact OD2-CA 3.37Å; S135-G137 PolarHBondContact O-N 2.98Å
136S86.8Confident87.5Confident64 Ų6447.5 Ų47.545%0.44827%0.272SS..  trans-71.1-17.2178.358.30000113D132 D134 S138D132-S136 PolarHBondContact OD1-N 3.28Å; D132-S136 PolarHBondContact OD2-N 3.48Å; D134-S136 PolarHBondContact O-N 2.61Å; D134-S136 WeakPolarHBondContact OD1-CB 3.42Å; D134-S136 PolarHBondContact OD1-N 3.41Å; D134-S136 PolarHBondContact OD1-OG 3.48Å; S136-S138 PolarHBondContact OG-O 3.15Å
137G86.1Confident87.3Confident42 Ų4247.3 Ų47.343%0.43327%0.271SS..SBendtrans83.412.8-176.700000113.6F128 D132 S135F128-G137 VanDerWaalsContact CZ-C 3.49Å; D132-G137 PolarHBondContact OD2-N 2.8Å; S135-G137 PolarHBondContact O-N 2.98Å
138S89.6Confident87Confident31 Ų3147 Ų4722%0.21727%0.269CS..SBendtrans-150.9143.2171.663.70000110.2S136S136-S138 PolarHBondContact OG-O 3.15Å
139I90.1Very high86.5Confident4 Ų451.1 Ų51.12%0.02129%0.288CS..BIsolated β-bridgetrans-89.3117.1178.9-57.6162.5000109.4I95 L100 F128 A131 D132 E143 L144I95-I139 HydrophobicContact CB-CB 4.24Å; I95-I139 PolarHBondContact N-O 3.02Å; I95-I139 PolarHBondContact O-N 3.21Å; L100-I139 HydrophobicContact CD2-CD1 4.13Å; F128-I139 HydrophobicContact CD2-CD1 3.65Å; F128-I139 HydrophobicContact CD2-CG1 3.95Å; F128-I139 HydrophobicContact CE2-CD1 3.93Å; F128-I139 HydrophobicContact CE2-CG1 3.75Å; F128-I139 HydrophobicContact CG-CD1 4.39Å; F128-I139 HydrophobicContact CZ-CG1 4.29Å; A131-I139 HydrophobicContact CB-CD1 3.72Å; A131-I139 HydrophobicContact CB-CG1 3.94Å; A131-I139 HydrophobicContact CB-CG2 4.05Å; D132-I139 HydrophobicContact CB-CG1 4.47Å; I139-E143 HydrophobicContact CG2-CB 4.15Å; I139-L144 HydrophobicContact CG2-CB 3.95Å
140T91.8Very high85.9Confident51 Ų5151.2 Ų51.231%0.31329%0.292SS..  trans-80.7164175.1640000112.3E142 E143 L144T140-E142 VanDerWaalsContact C-N 3.28Å; T140-E142 PolarHBondContact O-N 3.05Å; T140-E143 PolarHBondContact N-OE2 2.9Å; T140-E143 PolarHBondContact O-N 3.01Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.28Å; T140-E143 PolarHBondContact OG1-OE2 3.16Å; T140-L144 PolarHBondContact O-N 2.71Å
141F89.8Confident85.2Confident19 Ų1952.9 Ų52.98%0.08330%0.296CS..Hα-helixtrans-55.8-41.8176.6173.4-105.2000112.9T77 L80 R81 F84 K145T77-F141 HydrophobicContact CG2-CE1 4.06Å; T77-F141 HydrophobicContact CG2-CZ 3.8Å; L80-F141 HydrophobicContact CB-CE2 4.04Å; L80-F141 HydrophobicContact CB-CZ 4.32Å; R81-F141 VanDerWaalsContact CA-CE2 3.44Å; R81-F141 HydrophobicContact CB-CE2 3.78Å; R81-F141 HydrophobicContact CB-CZ 4.1Å; R81-F141 HydrophobicContact CG-CE2 4.45Å; F84-F141 HydrophobicContact CB-CD2 3.93Å; F84-F141 HydrophobicContact CB-CE2 4.49Å; F84-F141 HydrophobicContact CD2-CB 4.17Å; F84-F141 HydrophobicContact CD2-CD2 4.21Å; F84-F141 HydrophobicContact CE2-CB 4.17Å; F84-F141 HydrophobicContact CG-CB 4.42Å; F84-F141 AromaticContact CG-CD2 3.98Å; F84-F141 HydrophobicContact CG-CD2 3.98Å; F84-F141 HydrophobicContact CZ-CB 4.41Å; F141-K145 HydrophobicContact CE1-CD 4.3Å; F141-K145 HydrophobicContact CZ-CD 4.4Å; F141-K145 VanDerWaalsContact O-CB 3.24Å; F141-K145 WeakPolarHBondContact O-CB 3.25Å; F141-K145 PolarHBondContact O-N 3.33Å
142E89.4Confident84.2Confident119 Ų11957 Ų5756%0.55632%0.323SS*.Hα-helixtrans-68.8-35.4-178.8-63.2-58.8151.100111.9T140 A146T140-E142 VanDerWaalsContact C-N 3.28Å; T140-E142 PolarHBondContact O-N 3.05Å; E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 3.25Å
143E89.6Confident82.9Confident18 Ų1861.9 Ų61.98%0.08435%0.345CS..Hα-helixtrans-69.2-45.8175.3-73.9174.4125.500112.2K133 D134 I139 T140 K145 A146 E147K133-E143 PolarHBondContact N-OE1 2.84Å; D134-E143 PolarHBondContact N-OE1 3.01Å; I139-E143 HydrophobicContact CG2-CB 4.15Å; T140-E143 PolarHBondContact N-OE2 2.9Å; T140-E143 PolarHBondContact O-N 3.01Å; T140-E143 WeakPolarHBondContact OG1-CG 3.46Å; T140-E143 PolarHBondContact OG1-N 3.28Å; T140-E143 PolarHBondContact OG1-OE2 3.16Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 2.94Å; E143-A146 PolarHBondContact O-N 3.41Å; E143-E147 WeakPolarHBondContact O-CB 3.49Å; E143-E147 PolarHBondContact O-N 2.77Å
144L85.4Confident81.7Confident24 Ų2456.3 Ų56.313%0.12632%0.323CS..Hα-helixtrans-60.6-42.1174.8-176.467.8000110.8F84 I95 I139 T140 E147 L148F84-L144 HydrophobicContact CB-CD2 4.01Å; F84-L144 HydrophobicContact CD2-CB 4.31Å; F84-L144 HydrophobicContact CD2-CD2 3.7Å; F84-L144 HydrophobicContact CG-CD2 4.35Å; I95-L144 HydrophobicContact CD1-CD2 4.01Å; I139-L144 HydrophobicContact CG2-CB 3.95Å; T140-L144 PolarHBondContact O-N 2.71Å; L144-E147 PolarHBondContact O-N 3.03Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.34Å; L144-L148 HydrophobicContact CD2-CD1 4.26Å; L144-L148 HydrophobicContact CG-CD1 3.75Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 2.91Å
145K86.1Confident80.5Confident39 Ų3952 Ų5217%0.1730%0.3CS..Hα-helixtrans-60.3-51.4175.9170.7170.3178.5179.60111.4T77 L80 F141 E143 E147 L148 E149T77-K145 PolarHBondContact OG1-NZ 3.33Å; L80-K145 HydrophobicContact CD1-CB 4.14Å; L80-K145 HydrophobicContact CD1-CD 4.29Å; L80-K145 HydrophobicContact CD1-CG 3.77Å; F141-K145 HydrophobicContact CE1-CD 4.3Å; F141-K145 HydrophobicContact CZ-CD 4.4Å; F141-K145 VanDerWaalsContact O-CB 3.24Å; F141-K145 WeakPolarHBondContact O-CB 3.25Å; F141-K145 PolarHBondContact O-N 3.33Å; E143-K145 VanDerWaalsContact C-N 3.29Å; E143-K145 PolarHBondContact O-N 2.94Å; K145-E147 VanDerWaalsContact C-N 3.25Å; K145-E147 PolarHBondContact O-N 2.78Å; K145-L148 PolarHBondContact O-N 3.21Å; K145-E149 WeakPolarHBondContact CE-OE1 3.39Å; K145-E149 HydrophobicContact CG-CG 4.39Å; K145-E149 WeakPolarHBondContact O-CG 3.48Å; K145-E149 PolarHBondContact O-N 3.41Å
146A85.7Confident79.3Confident47 Ų4754.1 Ų54.139%0.38830%0.298SS..Hα-helixtrans-59.9-37.6179.200000112.1E142 E143 N150E142-A146 WeakPolarHBondContact O-CB 3.36Å; E142-A146 PolarHBondContact O-N 3.25Å; E143-A146 PolarHBondContact O-N 3.41Å; A146-N150 PolarHBondContact O-ND2 3.45Å; A146-N150 VanDerWaalsContact O-ND2 3.1Å
147E83.7Confident77.9Confident11 Ų1152 Ų525%0.05128%0.282CS..Hα-helixtrans-69.5-41.5177-168.264.5-169.500111.6S130 A131 K133 E143 L144 K145 N150 F151 M710S130-E147 PolarHBondContact OG-OE1 3.32Å; A131-E147 HydrophobicContact CB-CG 4.43Å; K133-E147 IonicContact NZ-OE2 3.81Å; K133-E147 PolarHBondContact NZ-OE2 3.26Å; E143-E147 WeakPolarHBondContact O-CB 3.49Å; E143-E147 PolarHBondContact O-N 2.77Å; L144-E147 PolarHBondContact O-N 3.03Å; K145-E147 VanDerWaalsContact C-N 3.25Å; K145-E147 PolarHBondContact O-N 2.78Å; E147-N150 WeakPolarHBondContact O-CB 3.37Å; E147-N150 PolarHBondContact O-N 3.48Å; E147-F151 VanDerWaalsContact O-CD2 3.26Å; E147-F151 WeakPolarHBondContact O-CD2 3.45Å; E147-M710 HydrophobicContact CG-CE 4.12Å
148L77.2Confident76.6Confident3 Ų350.2 Ų50.22%0.01626%0.262CS..Hα-helixtrans-73.9-28.8180-72.6169.9000113.9L80 L83 L144 K145 N150 F151 V154 I706 M710L80-L148 HydrophobicContact CD2-CB 3.9Å; L80-L148 HydrophobicContact CD2-CD1 3.33Å; L80-L148 HydrophobicContact CD2-CG 4.24Å; L83-L148 HydrophobicContact CD2-CD1 3.78Å; L144-L148 HydrophobicContact CD1-CD1 3.98Å; L144-L148 HydrophobicContact CD1-CG 4.34Å; L144-L148 HydrophobicContact CD2-CD1 4.26Å; L144-L148 HydrophobicContact CG-CD1 3.75Å; L144-L148 HydrophobicContact CG-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.34Å; L144-L148 PolarHBondContact O-N 2.91Å; K145-L148 PolarHBondContact O-N 3.21Å; L148-N150 PolarHBondContact O-N 3.45Å; L148-F151 CarbonylContact O-C 3.59Å; L148-F151 WeakPolarHBondContact O-CA 3.4Å; L148-F151 PolarHBondContact O-N 2.99Å; L148-V154 HydrophobicContact CD2-CG1 3.92Å; L148-I706 HydrophobicContact CD2-CG2 4.13Å; L148-M710 HydrophobicContact CD2-CE 3.94Å; L148-M710 HydrophobicContact CD2-SD 3.44Å; L148-M710 WeakPolarHBondContact CD2-SD 3.28Å
149E78Confident74.7Confident108 Ų10850.2 Ų50.251%0.50526%0.261SS..Hα-helixtrans-61.9-25.6172.3-78.3179.1178.200112.3K145 F151K145-E149 WeakPolarHBondContact CE-OE1 3.39Å; K145-E149 HydrophobicContact CG-CG 4.39Å; K145-E149 WeakPolarHBondContact O-CG 3.48Å; K145-E149 PolarHBondContact O-N 3.41Å; E149-F151 PolarHBondContact O-N 3.01Å
150N76.2Confident73Confident111 Ų11153.6 Ų53.659%0.59428%0.278SS*.THydrogen-bonded Turntrans-69.9-8.4171.6-64.3-48.1000113.2A146 E147 L148A146-N150 PolarHBondContact O-ND2 3.45Å; A146-N150 VanDerWaalsContact O-ND2 3.1Å; E147-N150 WeakPolarHBondContact O-CB 3.37Å; E147-N150 PolarHBondContact O-N 3.48Å; L148-N150 PolarHBondContact O-N 3.45Å
151F69.4Low71.2Confident60 Ų6051.9 Ų51.926%0.26327%0.269SS..  trans-128.470.6-177.8-60.7-86.8000111.8E147 L148 E149 E153 V154 M710E147-F151 VanDerWaalsContact O-CD2 3.26Å; E147-F151 WeakPolarHBondContact O-CD2 3.45Å; L148-F151 CarbonylContact O-C 3.59Å; L148-F151 WeakPolarHBondContact O-CA 3.4Å; L148-F151 PolarHBondContact O-N 2.99Å; E149-F151 PolarHBondContact O-N 3.01Å; F151-E153 PolarHBondContact O-N 3.33Å; F151-E153 VanDerWaalsContact O-N 3.08Å; F151-V154 HydrophobicContact CB-CB 4.22Å; F151-V154 HydrophobicContact CB-CG2 3.72Å; F151-V154 WeakPolarHBondContact O-CB 3.38Å; F151-V154 PolarHBondContact O-N 3.35Å; F151-M710 HydrophobicContact CD2-CE 3.6Å; F151-M710 HydrophobicContact CD2-SD 4.41Å; F151-M710 HydrophobicContact CE2-CE 3.65Å; F151-M710 HydrophobicContact CG-CE 4.4Å; F151-M710 HydrophobicContact CZ-CE 4.47Å
152P65.6Low69.4Low91 Ų9151.4 Ų51.459%0.59127%0.268SS*.Hα-helixtrans-60.7-26.2-174.723.3-34.3000114.3V154 M155 E156P152-V154 PolarHBondContact O-N 2.91Å; P152-M155 PolarHBondContact O-N 2.99Å; P152-E156 PolarHBondContact O-N 3Å
153E63Low67.8Low116 Ų11646.2 Ų46.254%0.54225%0.246SC..Hα-helixtrans-60.6-29.7172.9-66.5-169.3159.500112.7F151 N157 K700F151-E153 PolarHBondContact O-N 3.33Å; F151-E153 VanDerWaalsContact O-N 3.08Å; E153-N157 WeakPolarHBondContact O-CB 3.38Å; E153-N157 VanDerWaalsContact O-CG 3.27Å; E153-N157 PolarHBondContact O-ND2 3.34Å; E153-K700 IonicContact OE2-NZ 2.66Å; E153-K700 PolarHBondContact OE2-NZ 2.94Å
154V61.1Low66.3Low19 Ų1949.1 Ų49.112%0.11526%0.262CS..Hα-helixtrans-70.5-39.1-179.8171.80000110.6L148 F151 P152 N157 L158 I706L148-V154 HydrophobicContact CD2-CG1 3.92Å; F151-V154 HydrophobicContact CB-CB 4.22Å; F151-V154 HydrophobicContact CB-CG2 3.72Å; F151-V154 WeakPolarHBondContact O-CB 3.38Å; F151-V154 PolarHBondContact O-N 3.35Å; P152-V154 PolarHBondContact O-N 2.91Å; V154-N157 PolarHBondContact O-N 3.23Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 3.32Å; V154-I706 HydrophobicContact CB-CG2 4.36Å; V154-I706 HydrophobicContact CG1-CB 4.11Å; V154-I706 HydrophobicContact CG1-CD1 3.71Å; V154-I706 HydrophobicContact CG1-CG1 3.85Å; V154-I706 HydrophobicContact CG1-CG2 3.18Å; V154-I706 HydrophobicContact CG2-CG2 4.26Å
155M60.8Low64.9Low15 Ų1550.9 Ų50.97%0.07427%0.267CS..Hα-helixtrans-64.2-45.4-178.2-68.4-56.9-71.900113.3E76 L80 P152 N157 L158E76-M155 HydrophobicContact CB-CE 3.61Å; E76-M155 HydrophobicContact CG-CE 3.95Å; E76-M155 WeakPolarHBondContact O-CE 3.39Å; L80-M155 HydrophobicContact CD1-CE 3.7Å; L80-M155 HydrophobicContact CD1-SD 4.1Å; L80-M155 HydrophobicContact CD2-CE 3.97Å; L80-M155 HydrophobicContact CD2-SD 3.48Å; L80-M155 WeakPolarHBondContact CD2-SD 3.47Å; L80-M155 HydrophobicContact CG-CE 3.52Å; L80-M155 HydrophobicContact CG-SD 3.77Å; P152-M155 PolarHBondContact O-N 2.99Å; M155-N157 PolarHBondContact O-N 3.5Å; M155-L158 HydrophobicContact SD-CD1 4Å
156E60.1Low63.4Low145 Ų14549.1 Ų49.168%0.67826%0.259SS*.Hα-helixtrans-63.3-34.5175.4-70.1-173.8162.800111.9P152 I160P152-E156 PolarHBondContact O-N 3Å; E156-I160 WeakPolarHBondContact O-CD1 3.31Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å
157N57.8Low61.9Low18 Ų1851.8 Ų51.810%0.09626%0.262CS..Hα-helixtrans-78.5-30.3-175.4-78.8-34000113.8E153 V154 M155 I160 S161 K700 N701E153-N157 WeakPolarHBondContact O-CB 3.38Å; E153-N157 VanDerWaalsContact O-CG 3.27Å; E153-N157 PolarHBondContact O-ND2 3.34Å; V154-N157 PolarHBondContact O-N 3.23Å; M155-N157 PolarHBondContact O-N 3.5Å; N157-I160 PolarHBondContact O-N 2.89Å; N157-S161 PolarHBondContact O-N 3.14Å; N157-K700 WeakPolarHBondContact CB-O 3.36Å; N157-K700 PolarHBondContact ND2-O 2.87Å; N157-N701 PolarHBondContact OD1-ND2 2.93Å; N157-N701 VanDerWaalsContact OD1-ND2 3.14Å; N157-N701 PolarHBondContact OD1-OD1 2.99Å
158L57.3Low60.4Low5 Ų553.6 Ų53.63%0.02628%0.275CS..Hα-helixtrans-55.4-52174.5-84.4155.7000112.2L83 V154 M155 I160 S161 A162 M703 I706L83-L158 HydrophobicContact CB-CD2 4.23Å; L83-L158 HydrophobicContact CD1-CD2 3.84Å; L83-L158 HydrophobicContact CD2-CD1 4.03Å; L83-L158 HydrophobicContact CD2-CD2 3.85Å; L83-L158 HydrophobicContact CG-CD2 4.19Å; V154-L158 HydrophobicContact CG1-CD1 4.05Å; V154-L158 WeakPolarHBondContact O-CG 3.47Å; V154-L158 PolarHBondContact O-N 3.32Å; M155-L158 HydrophobicContact SD-CD1 4Å; L158-I160 VanDerWaalsContact C-N 3.26Å; L158-I160 PolarHBondContact O-N 3.03Å; L158-S161 PolarHBondContact O-N 3.23Å; L158-A162 PolarHBondContact O-N 3.03Å; L158-M703 HydrophobicContact CD2-CB 4.19Å; L158-M703 HydrophobicContact CD2-CG 3.72Å; L158-M703 HydrophobicContact CD2-SD 4.12Å; L158-I706 HydrophobicContact CD1-CD1 4.06Å; L158-I706 HydrophobicContact CD2-CD1 3.4Å; L158-I706 VanDerWaalsContact CD2-CD1 3.4Å; L158-I706 HydrophobicContact CG-CD1 3.37Å
159T51.7Low59Low32 Ų3258.6 Ų58.620%0.19631%0.308CS..Hα-helixtrans-55.5-43.1178-48.80000111.3L71 K79L71-T159 VanDerWaalsContact O-CG2 3.3Å; L71-T159 WeakPolarHBondContact O-CG2 3.22Å; K79-T159 WeakPolarHBondContact CD-OG1 2.99Å; K79-T159 WeakPolarHBondContact CE-OG1 3.44Å; K79-T159 PolarHBondContact NZ-OG1 3.38Å
160I52.4Low57.7Low74 Ų7459.3 Ų59.338%0.37932%0.315SS..Hα-helixtrans-73.8-41.1-175.6-64.9168.2000110.7E156 N157 L158 N164E156-I160 WeakPolarHBondContact O-CD1 3.31Å; E156-I160 WeakPolarHBondContact O-CG1 3.44Å; N157-I160 PolarHBondContact O-N 2.89Å; L158-I160 VanDerWaalsContact C-N 3.26Å; L158-I160 PolarHBondContact O-N 3.03Å; I160-N164 WeakPolarHBondContact CG2-OD1 3.48Å; I160-N164 WeakPolarHBondContact O-CA 3.17Å; I160-N164 WeakPolarHBondContact O-CB 3.45Å; I160-N164 PolarHBondContact O-N 3.09Å; I160-N164 PolarHBondContact O-ND2 2.98Å; I160-N164 PolarHBondContact O-OD1 3.22Å; I160-N164 VanDerWaalsContact O-OD1 3.11Å
161S54.1Low56.1Low16 Ų1662.6 Ų62.611%0.11233%0.327CS..Hα-helixtrans-69-42.3-174.9-171.90000114.1N157 L158 A163 N701 D702 M703N157-S161 PolarHBondContact O-N 3.14Å; L158-S161 PolarHBondContact O-N 3.23Å; S161-A163 VanDerWaalsContact C-N 3.33Å; S161-N701 WeakPolarHBondContact CB-O 3.46Å; S161-D702 WeakPolarHBondContact OG-CA 3.36Å; S161-M703 WeakPolarHBondContact OG-CB 3.25Å; S161-M703 PolarHBondContact OG-N 2.94Å
162A53.4Low54.7Low8 Ų868.3 Ų68.37%0.06635%0.354CS..Hα-helixtrans-70.6-34.2-174.300000111.6L71 L158 W165 M703L71-A162 HydrophobicContact CB-CB 4.4Å; L71-A162 HydrophobicContact CD1-CB 3.61Å; L71-A162 HydrophobicContact CD2-CB 3.77Å; L71-A162 HydrophobicContact CG-CB 4.13Å; L158-A162 PolarHBondContact O-N 3.03Å; A162-W165 PolarHBondContact O-NE1 3.36Å; A162-M703 HydrophobicContact CB-CE 3.39Å; A162-M703 HydrophobicContact CB-SD 4.08Å
163A54.9Low53.4Low11 Ų1172.2 Ų72.29%0.09136%0.364CS..Hα-helixtrans-94.3-7.4-179.600000114I72 S161 W165 L166 K167I72-A163 HydrophobicContact CD1-CB 3.87Å; I72-A163 HydrophobicContact CG1-CB 3.72Å; S161-A163 VanDerWaalsContact C-N 3.33Å; A163-W165 VanDerWaalsContact C-N 3.31Å; A163-W165 PolarHBondContact O-N 3.22Å; A163-L166 CarbonylContact O-C 3.58Å; A163-L166 WeakPolarHBondContact O-CA 3.34Å; A163-L166 PolarHBondContact O-N 3.5Å; A163-K167 PolarHBondContact O-N 3.43Å
164N57.6Low52.4Low79 Ų7976.1 Ų76.142%0.42238%0.379SS..G310 helixtrans-61.2-33.3-172.3-103.7-12.9000114.3I160 L166 K167I160-N164 WeakPolarHBondContact CG2-OD1 3.48Å; I160-N164 WeakPolarHBondContact O-CA 3.17Å; I160-N164 WeakPolarHBondContact O-CB 3.45Å; I160-N164 PolarHBondContact O-N 3.09Å; I160-N164 PolarHBondContact O-ND2 2.98Å; I160-N164 PolarHBondContact O-OD1 3.22Å; I160-N164 VanDerWaalsContact O-OD1 3.11Å; N164-L166 PolarHBondContact O-N 2.93Å; N164-K167 PolarHBondContact O-N 3.26Å
165W56.3Low51.6Low61 Ų6182.8 Ų82.823%0.23141%0.407CS..G310 helixtrans-71.8-18.1175.669-80000112.5I20 F32 A35 L36 L64 A162 A163I20-W165 HydrophobicContact CD1-CZ3 4.24Å; F32-W165 HydrophobicContact CE2-CH2 4.42Å; F32-W165 HydrophobicContact CE2-CZ2 4.28Å; A35-W165 HydrophobicContact CB-CE3 4.5Å; A35-W165 HydrophobicContact CB-CZ3 4.19Å; L36-W165 HydrophobicContact CD2-CB 4.2Å; L36-W165 VanDerWaalsContact CD2-CD1 3.43Å; L36-W165 HydrophobicContact CD2-CD2 3.54Å; L36-W165 HydrophobicContact CD2-CE3 4.27Å; L36-W165 HydrophobicContact CD2-CG 3.48Å; L36-W165 VanDerWaalsContact CD2-CG 3.48Å; L36-W165 HydrophobicContact CD2-CZ2 4.31Å; L64-W165 HydrophobicContact CD1-CH2 4.21Å; L64-W165 HydrophobicContact CD1-CZ2 4.16Å; A162-W165 PolarHBondContact O-NE1 3.36Å; A163-W165 VanDerWaalsContact C-N 3.31Å; A163-W165 PolarHBondContact O-N 3.22Å
166L54.2Low50.7Low2 Ų288.4 Ų88.41%0.0144%0.444CS..G310 helixtrans-112.118.2175.1-75.4171.1000113.7W9 W12 V13 Q16 L64 L68 A163 N164W9-L166 PolarHBondContact NE1-O 3.39Å; W9-L166 VanDerWaalsContact NE1-O 3.17Å; W12-L166 VanDerWaalsContact CH2-C 3.47Å; W12-L166 HydrophobicContact CH2-CD2 4.27Å; W12-L166 HydrophobicContact CZ3-CB 3.89Å; W12-L166 HydrophobicContact CZ3-CD2 3.69Å; W12-L166 HydrophobicContact CZ3-CG 4.37Å; W12-L166 WeakPolarHBondContact CZ3-O 3.34Å; V13-L166 HydrophobicContact CG1-CD1 4.31Å; V13-L166 HydrophobicContact CG1-CD2 4.29Å; V13-L166 HydrophobicContact CG2-CB 4.28Å; V13-L166 HydrophobicContact CG2-CD2 4.36Å; Q16-L166 HydrophobicContact CB-CD2 4.06Å; L64-L166 HydrophobicContact CD1-CD1 4.45Å; L64-L166 HydrophobicContact CD2-CD1 4.49Å; L68-L166 HydrophobicContact CD1-CD1 3.26Å; L68-L166 HydrophobicContact CD2-CD1 3.63Å; L68-L166 HydrophobicContact CG-CD1 4.03Å; A163-L166 CarbonylContact O-C 3.58Å; A163-L166 WeakPolarHBondContact O-CA 3.34Å; A163-L166 PolarHBondContact O-N 3.5Å; N164-L166 PolarHBondContact O-N 2.93Å
167K55.5Low50.6Low103 Ų10389.3 Ų89.345%0.44845%0.449SS..SBendtrans-87.8125.5169.7-166.2-176.9178.4-157.90107.7A163 N164 D170A163-K167 PolarHBondContact O-N 3.43Å; N164-K167 PolarHBondContact O-N 3.26Å; K167-D170 WeakPolarHBondContact CE-OD1 3.47Å; K167-D170 IonicContact NZ-OD1 3.47Å; K167-D170 PolarHBondContact NZ-OD1 3.22Å; K167-D170 IonicContact NZ-OD2 2.72Å
168P51.6Low50.6Low49 Ų4993.5 Ų93.532%0.31848%0.475SS..PPolyproline II helixtrans-55.3139.2171.122.1-31.4000108.7W12 D170W12-P168 HydrophobicContact CD2-CB 4.04Å; W12-P168 HydrophobicContact CG-CB 4.07Å; P168-D170 PolarHBondContact O-N 2.84Å
169P48.3Very low51.1Low108 Ų10896.9 Ų96.970%0.70150%0.497SS*.PPolyproline II helixtrans-53.8128.9-179.121.4-31.7000109Q171P169-Q171 PolarHBondContact O-N 3.03Å
170D50.1Low51.8Low122 Ų12299.1 Ų99.165%0.65250%0.502SS*.PPolyproline II helixtrans-49.5122.1177.4-69.4-32.7000107.6K167 P168 E172K167-D170 WeakPolarHBondContact CE-OD1 3.47Å; K167-D170 IonicContact NZ-OD1 3.47Å; K167-D170 PolarHBondContact NZ-OD1 3.22Å; K167-D170 IonicContact NZ-OD2 2.72Å; P168-D170 PolarHBondContact O-N 2.84Å; D170-E172 PolarHBondContact O-N 3.01Å
171Q43.6Very low52.6Low181 Ų181103 Ų10385%0.84651%0.513SS*.  trans-56114.3175.2-78.1-168.7-15.700106.9P169 Q173P169-Q171 PolarHBondContact O-N 3.03Å; Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.38Å
172E39.1Very low53.3Low180 Ų180108.6 Ų108.684%0.84154%0.541SS*.  trans-54.6100.5173.8-76.7-171.8163.500107.2D170 K174D170-E172 PolarHBondContact O-N 3.01Å; E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 2.79Å
173Q39.5Very low54.2Low172 Ų172111.1 Ų111.180%0.80456%0.556SS**  trans-58.6104170.2-75.3-176.1-7.400105.5Q171 K175Q171-Q173 VanDerWaalsContact C-N 3.3Å; Q171-Q173 PolarHBondContact O-N 3.38Å; Q173-K175 PolarHBondContact O-N 3.3Å
174K40.4Very low55.1Low198 Ų198120.1 Ų120.186%0.86159%0.587SS**  trans-62.586.2172.9-75.5-179.1179.3173.50106.9E172E172-K174 VanDerWaalsContact C-N 3.3Å; E172-K174 PolarHBondContact O-N 2.79Å
175K45.1Very low55.4Low160 Ų160117.6 Ų117.670%0.69658%0.577SS**  trans-54.1128.9171.4-71.9-173.7177.7-175.50106.6Q173 Q177Q173-K175 PolarHBondContact O-N 3.3Å; K175-Q177 VanDerWaalsContact C-N 3.28Å; K175-Q177 PolarHBondContact O-N 2.94Å
176P42.6Very low56.1Low132 Ų132116 Ų11686%0.85757%0.572SS**  trans-6693.5175.625.7-31000107.7T178P176-T178 PolarHBondContact O-N 3.2Å
177Q56.6Low57Low164 Ų164123.1 Ų123.177%0.76660%0.598SS**  trans-83.4102.7179.2-73.8-172.84.800108.2K175K175-Q177 VanDerWaalsContact C-N 3.28Å; K175-Q177 PolarHBondContact O-N 2.94Å
178T58.2Low57.8Low106 Ų106123.6 Ų123.665%0.6560%0.602SS**  trans-49136.1148.353.30000107.7P176 R180P176-T178 PolarHBondContact O-N 3.2Å; T178-R180 PolarHBondContact O-N 3.29Å
179P67.1Low58.5Low76 Ų76124.4 Ų124.449%0.49460%0.604SS.*  trans-54.4121.5-178-22.430.2000109.9Y181 L182P179-Y181 PolarHBondContact O-N 3.44Å; P179-L182 HydrophobicContact CB-CD1 3.9Å; P179-L182 HydrophobicContact CB-CG 4.42Å; P179-L182 HydrophobicContact CG-CD1 3.73Å; P179-L182 WeakPolarHBondContact O-CB 3.49Å; P179-L182 PolarHBondContact O-N 3.26Å
180R67.2Low59.8Low80 Ų80120 Ų12030%0.30257%0.574SS.*G310 helixtrans-47.2-31.2-176.7-178.2179.7178.7172.13.6114.1T178 L182 T183 Y186 E772T178-R180 PolarHBondContact O-N 3.29Å; R180-L182 VanDerWaalsContact C-N 3.26Å; R180-L182 PolarHBondContact O-N 3.11Å; R180-T183 PolarHBondContact O-N 3.48Å; R180-T183 PolarHBondContact O-OG1 3.28Å; R180-Y186 WeakPolarHBondContact O-CB 3.37Å; R180-E772 IonicContact CZ-OE2 2.88Å; R180-E772 VanDerWaalsContact CZ-OE2 3.27Å; R180-E772 IonicContact NE-OE1 2.84Å; R180-E772 IonicContact NE-OE2 3.62Å; R180-E772 PolarHBondContact NE-OE2 3.31Å; R180-E772 IonicContact NH2-OE1 3.61Å; R180-E772 IonicContact NH2-OE2 3.59Å; R180-E772 PolarHBondContact NH2-OE2 2.81Å
181Y68.4Low61.1Low156 Ų156117 Ų11761%0.61256%0.563SS**G310 helixtrans-72.1-14.9-180-59.7-74.4000114.4P179 Y186 W187P179-Y181 PolarHBondContact O-N 3.44Å; Y181-Y186 AromaticContact CD1-CE1 3.84Å; Y181-Y186 HydrophobicContact CD1-CE1 3.84Å; Y181-Y186 AromaticContact CD1-CE2 3.92Å; Y181-Y186 HydrophobicContact CD1-CE2 3.92Å; Y181-Y186 AromaticContact CD1-CZ 3.49Å; Y181-Y186 VanDerWaalsContact CD1-CZ 3.49Å; Y181-Y186 WeakPolarHBondContact CD1-OH 3.26Å; Y181-Y186 HydrophobicContact CE1-CE2 4.15Å; Y181-Y186 AromaticContact CE1-CZ 3.88Å; Y181-Y186 WeakPolarHBondContact CE1-OH 3.41Å; Y181-W187 PolarHBondContact O-NE1 3.02Å
182L69.3Low62.9Low133 Ų133114.4 Ų114.470%0.69655%0.545SS*.G310 helixtrans-97-6.3179.2-70.1164.4000112.8P179 R180P179-L182 HydrophobicContact CB-CD1 3.9Å; P179-L182 HydrophobicContact CB-CG 4.42Å; P179-L182 HydrophobicContact CG-CD1 3.73Å; P179-L182 WeakPolarHBondContact O-CB 3.49Å; P179-L182 PolarHBondContact O-N 3.26Å; R180-L182 VanDerWaalsContact C-N 3.26Å; R180-L182 PolarHBondContact O-N 3.11Å
183T73.4Confident64.9Low60 Ų60108.7 Ų108.737%0.36852%0.518SS..SBendtrans-72.1137.7179.6-40.90000111R180 A185 Y186 W187R180-T183 PolarHBondContact O-N 3.48Å; R180-T183 PolarHBondContact O-OG1 3.28Å; T183-A185 VanDerWaalsContact C-N 3.27Å; T183-A185 HydrophobicContact CG2-CB 4.35Å; T183-A185 PolarHBondContact O-N 3Å; T183-Y186 WeakPolarHBondContact O-CB 3.29Å; T183-Y186 PolarHBondContact O-N 3.09Å; T183-W187 PolarHBondContact O-N 2.82Å
184R72.3Confident67.1Low200 Ų200103 Ų10376%0.75549%0.492SS*.Hα-helixtrans-56-39.5177.8-173.2176.9-179.9175.61.3112.8Y186 W187 Q188R184-Y186 VanDerWaalsContact C-N 3.32Å; R184-Y186 PolarHBondContact O-N 3.27Å; R184-W187 PolarHBondContact O-N 2.91Å; R184-Q188 WeakPolarHBondContact O-CG 3.47Å; R184-Q188 PolarHBondContact O-N 2.78Å
185A64.4Low69.4Low26 Ų2699.3 Ų99.322%0.21548%0.481CS..Hα-helixtrans-60.3-39.5175.700000112.4T183 Q188 N189T183-A185 VanDerWaalsContact C-N 3.27Å; T183-A185 HydrophobicContact CG2-CB 4.35Å; T183-A185 PolarHBondContact O-N 3Å; A185-Q188 PolarHBondContact O-N 3.37Å; A185-N189 WeakPolarHBondContact O-CB 3.44Å; A185-N189 VanDerWaalsContact O-CG 3.28Å; A185-N189 PolarHBondContact O-N 2.79Å
186Y71.1Confident71.5Confident28 Ų2893.6 Ų93.611%0.1146%0.457CS..Hα-helixtrans-63.1-44.7176-178.5-89.2000111.4R180 Y181 T183 R184 N189 N190 L194R180-Y186 WeakPolarHBondContact O-CB 3.37Å; Y181-Y186 AromaticContact CD1-CE1 3.84Å; Y181-Y186 HydrophobicContact CD1-CE1 3.84Å; Y181-Y186 AromaticContact CD1-CE2 3.92Å; Y181-Y186 HydrophobicContact CD1-CE2 3.92Å; Y181-Y186 AromaticContact CD1-CZ 3.49Å; Y181-Y186 VanDerWaalsContact CD1-CZ 3.49Å; Y181-Y186 WeakPolarHBondContact CD1-OH 3.26Å; Y181-Y186 HydrophobicContact CE1-CE2 4.15Å; Y181-Y186 AromaticContact CE1-CZ 3.88Å; Y181-Y186 WeakPolarHBondContact CE1-OH 3.41Å; T183-Y186 WeakPolarHBondContact O-CB 3.29Å; T183-Y186 PolarHBondContact O-N 3.09Å; R184-Y186 VanDerWaalsContact C-N 3.32Å; R184-Y186 PolarHBondContact O-N 3.27Å; Y186-N189 PolarHBondContact O-N 3.1Å; Y186-N190 WeakPolarHBondContact CD2-ND2 3.24Å; Y186-N190 HydrophobicContact CE1-CB 4.32Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.36Å; Y186-N190 WeakPolarHBondContact O-CB 3.39Å; Y186-N190 PolarHBondContact O-N 2.82Å; Y186-N190 PolarHBondContact O-ND2 2.78Å; Y186-L194 HydrophobicContact CE1-CD1 4.29Å
187W74Confident73.8Confident152 Ų15290 Ų9058%0.57643%0.43SS*.Hα-helixtrans-66.1-41.2178.6-84.463.8000112.4Y181 T183 R184 S191 L194Y181-W187 PolarHBondContact O-NE1 3.02Å; T183-W187 PolarHBondContact O-N 2.82Å; R184-W187 PolarHBondContact O-N 2.91Å; W187-S191 WeakPolarHBondContact O-CA 3.42Å; W187-S191 WeakPolarHBondContact O-CB 3.41Å; W187-S191 PolarHBondContact O-N 2.99Å; W187-L194 HydrophobicContact CD2-CD1 4.26Å; W187-L194 HydrophobicContact CG-CD1 4.4Å
188Q71.1Confident75.5Confident112 Ų11286.3 Ų86.352%0.52342%0.421SS..Hα-helixtrans-61.8-48.9175.8-74.4173.1-27.500111.1R184 A185 N190 S191R184-Q188 WeakPolarHBondContact O-CG 3.47Å; R184-Q188 PolarHBondContact O-N 2.78Å; A185-Q188 PolarHBondContact O-N 3.37Å; Q188-N190 PolarHBondContact O-N 3.26Å; Q188-S191 PolarHBondContact O-OG 3.42Å
189N67.6Low77.2Confident66 Ų6683.1 Ų83.135%0.35341%0.409SS..Hα-helixtrans-71.2-28.3-176.8-70.3-9.4000113.6A185 Y186A185-N189 WeakPolarHBondContact O-CB 3.44Å; A185-N189 VanDerWaalsContact O-CG 3.28Å; A185-N189 PolarHBondContact O-N 2.79Å; Y186-N189 PolarHBondContact O-N 3.1Å
190N74.5Confident78.5Confident16 Ų1680.6 Ų80.69%0.08639%0.39CS..Hα-helixtrans-111.810.5-177.7-55.2-90.9000113.4Y186 Q188 R192 K193 L194 K768Y186-N190 WeakPolarHBondContact CD2-ND2 3.24Å; Y186-N190 HydrophobicContact CE1-CB 4.32Å; Y186-N190 WeakPolarHBondContact CE2-ND2 3.36Å; Y186-N190 WeakPolarHBondContact O-CB 3.39Å; Y186-N190 PolarHBondContact O-N 2.82Å; Y186-N190 PolarHBondContact O-ND2 2.78Å; Q188-N190 PolarHBondContact O-N 3.26Å; N190-R192 PolarHBondContact O-N 3.34Å; N190-K193 WeakPolarHBondContact O-CB 3.32Å; N190-K193 PolarHBondContact O-N 3.29Å; N190-K193 VanDerWaalsContact O-N 3.08Å; N190-L194 HydrophobicContact CB-CD1 4.37Å; N190-L194 HydrophobicContact CB-CG 4.45Å; N190-L194 WeakPolarHBondContact O-CG 3.4Å; N190-L194 PolarHBondContact O-N 2.9Å; N190-K768 PolarHBondContact OD1-NZ 2.79Å
191S78.3Confident79.9Confident58 Ų5880.9 Ų80.941%0.40640%0.4SS..Hα-helixtrans-49.9-48.8-175.2500000113.7W187 Q188 K193 L194 L195W187-S191 WeakPolarHBondContact O-CA 3.42Å; W187-S191 WeakPolarHBondContact O-CB 3.41Å; W187-S191 PolarHBondContact O-N 2.99Å; Q188-S191 PolarHBondContact O-OG 3.42Å; S191-K193 VanDerWaalsContact C-N 3.34Å; S191-K193 PolarHBondContact O-N 2.87Å; S191-L194 PolarHBondContact O-N 2.84Å; S191-L195 VanDerWaalsContact O-CB 3.27Å; S191-L195 WeakPolarHBondContact O-CB 3.35Å; S191-L195 PolarHBondContact O-N 3.02Å
192R80.1Confident81.2Confident128 Ų12878.8 Ų78.848%0.48340%0.399SS..Hα-helixtrans-59.9-43.1179.9-54.7176.7-160.7167.78.3112.3N190 F196 R258N190-R192 PolarHBondContact O-N 3.34Å; R192-F196 WeakPolarHBondContact O-CB 3.28Å; R192-F196 PolarHBondContact O-N 3.03Å; R192-F196 VanDerWaalsContact O-N 3.08Å; R192-R258 WeakPolarHBondContact CD-O 3.43Å
193K82.1Confident82.5Confident59 Ų5975.9 Ų75.926%0.25738%0.384SS..Hα-helixtrans-66.7-46178.7-177.1-173-179.2177.40111N190 S191 F196 L197 Q264N190-K193 WeakPolarHBondContact O-CB 3.32Å; N190-K193 PolarHBondContact O-N 3.29Å; N190-K193 VanDerWaalsContact O-N 3.08Å; S191-K193 VanDerWaalsContact C-N 3.34Å; S191-K193 PolarHBondContact O-N 2.87Å; K193-F196 PolarHBondContact O-N 2.9Å; K193-L197 WeakPolarHBondContact O-CB 3.37Å; K193-L197 PolarHBondContact O-N 2.83Å; K193-Q264 VanDerWaalsContact CD-OE1 3.27Å; K193-Q264 VanDerWaalsContact CE-OE1 3.29Å
194L85.4Confident83.6Confident53 Ų5373.5 Ų73.528%0.27737%0.369SS..Hα-helixtrans-65.8-43-179.8-68.4171.8000111.4Y186 W187 N190 S191 F196 L197 C198Y186-L194 HydrophobicContact CE1-CD1 4.29Å; W187-L194 HydrophobicContact CD2-CD1 4.26Å; W187-L194 HydrophobicContact CG-CD1 4.4Å; N190-L194 HydrophobicContact CB-CD1 4.37Å; N190-L194 HydrophobicContact CB-CG 4.45Å; N190-L194 WeakPolarHBondContact O-CG 3.4Å; N190-L194 PolarHBondContact O-N 2.9Å; S191-L194 PolarHBondContact O-N 2.84Å; L194-F196 PolarHBondContact O-N 3.07Å; L194-L197 PolarHBondContact O-N 3.08Å; L194-C198 VanDerWaalsContact O-CB 3.24Å; L194-C198 WeakPolarHBondContact O-CB 3.28Å; L194-C198 PolarHBondContact O-N 2.74Å
195L88.5Confident84.8Confident120 Ų12068.6 Ų68.663%0.62836%0.357SS*.Hα-helixtrans-60.6-46.3176.7-175.7147.4000111.2S191 C198 G199S191-L195 VanDerWaalsContact O-CB 3.27Å; S191-L195 WeakPolarHBondContact O-CB 3.35Å; S191-L195 PolarHBondContact O-N 3.02Å; L195-C198 PolarHBondContact O-N 3.45Å; L195-G199 PolarHBondContact O-N 2.9Å
196F90.1Very high86.4Confident40 Ų4072.9 Ų72.918%0.17537%0.374CS..Hα-helixtrans-62-45.7175.9-179.6-93.5000112.5R192 K193 L194 G199 Y200 F238 L260 P261 L268R192-F196 WeakPolarHBondContact O-CB 3.28Å; R192-F196 PolarHBondContact O-N 3.03Å; R192-F196 VanDerWaalsContact O-N 3.08Å; K193-F196 PolarHBondContact O-N 2.9Å; L194-F196 PolarHBondContact O-N 3.07Å; F196-G199 PolarHBondContact O-N 3.47Å; F196-Y200 WeakPolarHBondContact O-CB 3.39Å; F196-Y200 PolarHBondContact O-N 2.76Å; F196-F238 HydrophobicContact CZ-CE1 4.49Å; F196-F238 AromaticContact CZ-CZ 3.99Å; F196-F238 HydrophobicContact CZ-CZ 3.99Å; F196-L260 HydrophobicContact CD2-CD2 3.62Å; F196-L260 HydrophobicContact CE2-CD2 3.92Å; F196-P261 HydrophobicContact CB-CG 3.78Å; F196-P261 HydrophobicContact CD1-CG 4Å; F196-P261 HydrophobicContact CD2-CG 4.42Å; F196-P261 HydrophobicContact CG-CG 3.79Å; F196-L268 HydrophobicContact CD1-CD1 4.06Å; F196-L268 HydrophobicContact CD1-CD2 3.94Å; F196-L268 HydrophobicContact CE1-CD1 3.54Å; F196-L268 HydrophobicContact CE1-CD2 3.7Å; F196-L268 HydrophobicContact CE1-CG 4.24Å; F196-L268 HydrophobicContact CZ-CD1 4.13Å
197L90.8Very high87.5Confident58 Ų5872.7 Ų72.730%0.30438%0.375SS..Hα-helixtrans-64.9-40.9179.5-170.969.2000111.5K193 L194 Y200 V201 I271K193-L197 WeakPolarHBondContact O-CB 3.37Å; K193-L197 PolarHBondContact O-N 2.83Å; L194-L197 PolarHBondContact O-N 3.08Å; L197-Y200 HydrophobicContact CD1-CD1 4.4Å; L197-Y200 PolarHBondContact O-N 2.84Å; L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 2.76Å; L197-I271 HydrophobicContact CD1-CG2 4.46Å
198C92.1Very high88.6Confident86 Ų8667.2 Ų67.258%0.58136%0.355SS*.Hα-helixtrans-60.2-48.2174.3-174.50000110.9L194 L195 Y200 V201 L202L194-C198 VanDerWaalsContact O-CB 3.24Å; L194-C198 WeakPolarHBondContact O-CB 3.28Å; L194-C198 PolarHBondContact O-N 2.74Å; L195-C198 PolarHBondContact O-N 3.45Å; C198-Y200 VanDerWaalsContact C-N 3.34Å; C198-Y200 PolarHBondContact O-N 2.93Å; C198-V201 PolarHBondContact O-N 3.41Å; C198-L202 WeakPolarHBondContact O-CB 3.22Å; C198-L202 PolarHBondContact O-N 3.4Å
199G93.9Very high89.8Confident38 Ų3864.6 Ų64.639%0.39235%0.347SS..Hα-helixtrans-59.8-41.5175.200000113.1L195 F196 L202 L203L195-G199 PolarHBondContact O-N 2.9Å; F196-G199 PolarHBondContact O-N 3.47Å; G199-L202 PolarHBondContact O-N 3.5Å; G199-L203 WeakPolarHBondContact O-CB 3.28Å; G199-L203 PolarHBondContact O-N 3.34Å
200Y94.8Very high91.2Very high24 Ų2463.8 Ų63.89%0.09435%0.349CS..Hα-helixtrans-63-43.7175.6168.6-99.9000112.6F196 L197 C198 N204 F234 N235 F238 V272 A275F196-Y200 WeakPolarHBondContact O-CB 3.39Å; F196-Y200 PolarHBondContact O-N 2.76Å; L197-Y200 HydrophobicContact CD1-CD1 4.4Å; L197-Y200 PolarHBondContact O-N 2.84Å; C198-Y200 VanDerWaalsContact C-N 3.34Å; C198-Y200 PolarHBondContact O-N 2.93Å; Y200-N204 VanDerWaalsContact CE2-ND2 3.25Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.41Å; Y200-N204 PolarHBondContact O-N 3.06Å; Y200-N204 VanDerWaalsContact O-N 3.11Å; Y200-N204 PolarHBondContact O-ND2 3.33Å; Y200-F234 HydrophobicContact CD2-CE1 4.04Å; Y200-F234 AromaticContact CE2-CE1 3.8Å; Y200-F234 HydrophobicContact CE2-CE1 3.8Å; Y200-N235 WeakPolarHBondContact CE2-OD1 3.38Å; Y200-N235 PolarHBondContact OH-OD1 3.49Å; Y200-F238 HydrophobicContact CD2-CD1 4.41Å; Y200-F238 HydrophobicContact CD2-CE1 4.2Å; Y200-F238 HydrophobicContact CE2-CD1 4.1Å; Y200-F238 HydrophobicContact CE2-CE1 4.28Å; Y200-V272 HydrophobicContact CE2-CG2 3.99Å; Y200-A275 WeakPolarHBondContact OH-CB 3.23Å
201V95.4Very high92.1Very high85 Ų8563.6 Ų63.652%0.51535%0.35SS..Hα-helixtrans-65.5-44.7176.2171.20000110.6L197 C198 L203 N204 L205L197-V201 WeakPolarHBondContact O-CG2 3.44Å; L197-V201 PolarHBondContact O-N 2.76Å; C198-V201 PolarHBondContact O-N 3.41Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.48Å; V201-N204 PolarHBondContact O-N 2.93Å; V201-L205 WeakPolarHBondContact O-CB 3.25Å; V201-L205 PolarHBondContact O-N 3.3Å
202L96.6Very high92.8Very high112 Ų11263.1 Ų63.159%0.58634%0.342SS*.Hα-helixtrans-61.3-42.1178.4-174.467000111.7C198 G199 L205 M206C198-L202 WeakPolarHBondContact O-CB 3.22Å; C198-L202 PolarHBondContact O-N 3.4Å; G199-L202 PolarHBondContact O-N 3.5Å; L202-L205 PolarHBondContact O-N 2.88Å; L202-M206 VanDerWaalsContact O-CB 3.28Å; L202-M206 WeakPolarHBondContact O-CB 3.24Å; L202-M206 PolarHBondContact O-N 3.48Å
203L96.3Very high93.5Very high72 Ų7262.4 Ų62.438%0.37735%0.347SS..Hα-helixtrans-62.4-45.6176178.962.6000111.7G199 V201 L205 M206 L207 F234G199-L203 WeakPolarHBondContact O-CB 3.28Å; G199-L203 PolarHBondContact O-N 3.34Å; V201-L203 VanDerWaalsContact C-N 3.34Å; V201-L203 PolarHBondContact O-N 3.48Å; L203-L205 PolarHBondContact O-N 3.26Å; L203-M206 PolarHBondContact O-N 2.77Å; L203-L207 HydrophobicContact CD1-CD1 4.32Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 4.22Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.22Å; L203-L207 PolarHBondContact O-N 3.2Å; L203-F234 HydrophobicContact CD2-CE1 3.98Å; L203-F234 HydrophobicContact CD2-CE2 3.84Å; L203-F234 HydrophobicContact CD2-CZ 3.53Å
204N97.1Very high94Very high10 Ų1068.8 Ų68.85%0.05337%0.371CS..Hα-helixtrans-62.1-43.2175.9-83.9-84.3000111.8Y200 V201 M206 L207 F208 C231 N235Y200-N204 VanDerWaalsContact CE2-ND2 3.25Å; Y200-N204 WeakPolarHBondContact CE2-ND2 3.41Å; Y200-N204 PolarHBondContact O-N 3.06Å; Y200-N204 VanDerWaalsContact O-N 3.11Å; Y200-N204 PolarHBondContact O-ND2 3.33Å; V201-N204 PolarHBondContact O-N 2.93Å; N204-M206 VanDerWaalsContact C-N 3.35Å; N204-M206 PolarHBondContact O-N 3.09Å; N204-L207 PolarHBondContact O-N 2.86Å; N204-F208 VanDerWaalsContact O-CB 3.23Å; N204-F208 WeakPolarHBondContact O-CB 3.37Å; N204-F208 PolarHBondContact O-N 2.93Å; N204-C231 PolarHBondContact O-SG 3.27Å; N204-C231 VanDerWaalsContact O-SG 3.36Å; N204-N235 PolarHBondContact OD1-ND2 3.26Å
205L96.6Very high94.3Very high98 Ų9868.9 Ų68.951%0.51337%0.37SS..Hα-helixtrans-62.4-43.6177.1-176.365000111.3V201 L202 L203 F208 V209V201-L205 WeakPolarHBondContact O-CB 3.25Å; V201-L205 PolarHBondContact O-N 3.3Å; L202-L205 PolarHBondContact O-N 2.88Å; L203-L205 PolarHBondContact O-N 3.26Å; L205-F208 PolarHBondContact O-N 2.86Å; L205-V209 HydrophobicContact CD1-CG2 4.17Å; L205-V209 HydrophobicContact CG-CG2 4.44Å; L205-V209 WeakPolarHBondContact O-CB 3.45Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 2.91Å
206M97.1Very high94.4Very high116 Ų11671.9 Ų71.957%0.57137%0.373SS*.Hα-helixtrans-61.9-47.7177.7-177.9-90.3-179.100111.5L202 L203 N204 F208 V209 A210L202-M206 VanDerWaalsContact O-CB 3.28Å; L202-M206 WeakPolarHBondContact O-CB 3.24Å; L202-M206 PolarHBondContact O-N 3.48Å; L203-M206 PolarHBondContact O-N 2.77Å; N204-M206 VanDerWaalsContact C-N 3.35Å; N204-M206 PolarHBondContact O-N 3.09Å; M206-F208 PolarHBondContact O-N 3.41Å; M206-V209 PolarHBondContact O-N 2.87Å; M206-A210 WeakPolarHBondContact O-CB 3.37Å; M206-A210 PolarHBondContact O-N 2.68Å
207L95.9Very high94.2Very high23 Ų2379 Ų7912%0.1240%0.404CS..Hα-helixtrans-62.1-41.9176.2-70.5174.4000112.2L203 N204 A211 Q230 F234L203-L207 HydrophobicContact CD1-CD1 4.32Å; L203-L207 HydrophobicContact CD1-CG 4.32Å; L203-L207 HydrophobicContact CG-CD1 4.22Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.22Å; L203-L207 PolarHBondContact O-N 3.2Å; N204-L207 PolarHBondContact O-N 2.86Å; L207-A211 WeakPolarHBondContact O-CB 3.34Å; L207-A211 PolarHBondContact O-N 3.46Å; L207-A211 VanDerWaalsContact O-N 3.08Å; L207-Q230 HydrophobicContact CB-CG 4.26Å; L207-Q230 HydrophobicContact CD2-CG 4.5Å; L207-F234 HydrophobicContact CD1-CB 3.82Å; L207-F234 HydrophobicContact CD1-CD1 4.35Å; L207-F234 HydrophobicContact CD1-CG 4.01Å
208F96.7Very high93.6Very high37 Ų3778.1 Ų78.116%0.16241%0.408CS..Hα-helixtrans-61.5-53178-177.6-96.9000111.6N204 L205 M206 A211 M212 L224N204-F208 VanDerWaalsContact O-CB 3.23Å; N204-F208 WeakPolarHBondContact O-CB 3.37Å; N204-F208 PolarHBondContact O-N 2.93Å; L205-F208 PolarHBondContact O-N 2.86Å; M206-F208 PolarHBondContact O-N 3.41Å; F208-A211 PolarHBondContact O-N 3.43Å; F208-M212 HydrophobicContact CD1-CE 3.82Å; F208-M212 HydrophobicContact CD1-CG 4.47Å; F208-M212 HydrophobicContact CD1-SD 4.41Å; F208-M212 HydrophobicContact CE1-CE 3.31Å; F208-M212 HydrophobicContact CE1-CG 4.15Å; F208-M212 HydrophobicContact CE1-SD 3.62Å; F208-M212 HydrophobicContact CZ-CE 4.16Å; F208-M212 HydrophobicContact CZ-CG 4.33Å; F208-M212 HydrophobicContact CZ-SD 3.85Å; F208-M212 WeakPolarHBondContact O-CG 3.5Å; F208-M212 PolarHBondContact O-N 3.03Å; F208-L224 HydrophobicContact CE2-CD1 4.01Å; F208-L224 HydrophobicContact CZ-CD1 3.61Å
209V96.1Very high93.5Very high58 Ų5875.9 Ų75.935%0.35240%0.4SS..Hα-helixtrans-65.2-44.3-178.5172.70000110.7L205 M206 A211 M212 L213L205-V209 HydrophobicContact CD1-CG2 4.17Å; L205-V209 HydrophobicContact CG-CG2 4.44Å; L205-V209 WeakPolarHBondContact O-CB 3.45Å; L205-V209 VanDerWaalsContact O-CG2 3.29Å; L205-V209 WeakPolarHBondContact O-CG2 3.42Å; L205-V209 PolarHBondContact O-N 2.91Å; M206-V209 PolarHBondContact O-N 2.87Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.11Å; V209-M212 PolarHBondContact O-N 3.3Å; V209-L213 HydrophobicContact CG1-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CG 4.17Å; V209-L213 WeakPolarHBondContact O-CG 3.13Å; V209-L213 PolarHBondContact O-N 3.29Å
210A95.9Very high93.3Very high48 Ų4876.6 Ų76.640%0.39741%0.407SS..Hα-helixtrans-58.1-44.3177.300000111.9M206 L213 Y214M206-A210 WeakPolarHBondContact O-CB 3.37Å; M206-A210 PolarHBondContact O-N 2.68Å; A210-L213 PolarHBondContact O-N 2.99Å; A210-Y214 WeakPolarHBondContact O-CB 3.37Å; A210-Y214 PolarHBondContact O-N 3.05Å
211A93.6Very high93.2Very high13 Ų1379.9 Ų79.911%0.10742%0.42CS..Hα-helixtrans-67.1-36.8177.800000112.9L207 F208 V209 H215 Q230L207-A211 WeakPolarHBondContact O-CB 3.34Å; L207-A211 PolarHBondContact O-N 3.46Å; L207-A211 VanDerWaalsContact O-N 3.08Å; F208-A211 PolarHBondContact O-N 3.43Å; V209-A211 VanDerWaalsContact C-N 3.32Å; V209-A211 PolarHBondContact O-N 3.11Å; A211-H215 PolarHBondContact O-N 2.98Å; A211-H215 PolarHBondContact O-ND1 2.96Å; A211-Q230 HydrophobicContact CB-CB 3.74Å; A211-Q230 HydrophobicContact CB-CG 4.2Å
212M94.6Very high93Very high47 Ų4778.2 Ų78.223%0.23241%0.405CS..Hα-helixtrans-63.7-47.9173-76.4-151.7-61.200112F208 V209 Y214 H215 R216 M223F208-M212 HydrophobicContact CD1-CE 3.82Å; F208-M212 HydrophobicContact CD1-CG 4.47Å; F208-M212 HydrophobicContact CD1-SD 4.41Å; F208-M212 HydrophobicContact CE1-CE 3.31Å; F208-M212 HydrophobicContact CE1-CG 4.15Å; F208-M212 HydrophobicContact CE1-SD 3.62Å; F208-M212 HydrophobicContact CZ-CE 4.16Å; F208-M212 HydrophobicContact CZ-CG 4.33Å; F208-M212 HydrophobicContact CZ-SD 3.85Å; F208-M212 WeakPolarHBondContact O-CG 3.5Å; F208-M212 PolarHBondContact O-N 3.03Å; V209-M212 PolarHBondContact O-N 3.3Å; M212-Y214 VanDerWaalsContact C-N 3.32Å; M212-Y214 PolarHBondContact O-N 2.73Å; M212-H215 CarbonylContact O-C 3.59Å; M212-H215 PolarHBondContact O-N 3.02Å; M212-H215 VanDerWaalsContact O-N 3.15Å; M212-R216 PolarHBondContact O-N 3.27Å; M212-R216 VanDerWaalsContact O-N 3.11Å; M212-M223 HydrophobicContact CB-CB 4.37Å; M212-M223 HydrophobicContact CB-CE 4.16Å; M212-M223 HydrophobicContact CG-CB 4.16Å; M212-M223 WeakPolarHBondContact CG-O 3.36Å; M212-M223 HydrophobicContact SD-CB 4.31Å
213L93.6Very high92.9Very high113 Ų11374.9 Ų74.959%0.59239%0.388SS*.Hα-helixtrans-62.7-40.3-178.8-69.6176.1000111.6V209 A210 H215 R216V209-L213 HydrophobicContact CG1-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CG 4.17Å; V209-L213 WeakPolarHBondContact O-CG 3.13Å; V209-L213 PolarHBondContact O-N 3.29Å; A210-L213 PolarHBondContact O-N 2.99Å; L213-H215 VanDerWaalsContact C-N 3.3Å; L213-H215 PolarHBondContact O-N 3.21Å; L213-R216 WeakPolarHBondContact O-CB 3.34Å; L213-R216 PolarHBondContact O-N 3.3Å
214Y93.9Very high92.9Very high193 Ų19373.6 Ų73.676%0.75738%0.381SS*.Hα-helixtrans-61.5-38175.4-172.8-90.7000112.3A210 M212A210-Y214 WeakPolarHBondContact O-CB 3.37Å; A210-Y214 PolarHBondContact O-N 3.05Å; M212-Y214 VanDerWaalsContact C-N 3.32Å; M212-Y214 PolarHBondContact O-N 2.73Å
215H91.8Very high92.7Very high56 Ų5673.1 Ų73.126%0.25938%0.378SS..THydrogen-bonded Turntrans-9922.2-178.3-63.291.9000114.2A211 M212 L213 K217 G218 F222 M223 K226A211-H215 PolarHBondContact O-N 2.98Å; A211-H215 PolarHBondContact O-ND1 2.96Å; M212-H215 CarbonylContact O-C 3.59Å; M212-H215 PolarHBondContact O-N 3.02Å; M212-H215 VanDerWaalsContact O-N 3.15Å; L213-H215 VanDerWaalsContact C-N 3.3Å; L213-H215 PolarHBondContact O-N 3.21Å; H215-K217 PolarHBondContact O-N 2.96Å; H215-G218 PolarHBondContact O-N 3.46Å; H215-F222 HydrophobicContact CB-CD1 4.31Å; H215-F222 HydrophobicContact CB-CE1 4.14Å; H215-F222 AromaticContact CD2-CE1 3.86Å; H215-M223 WeakPolarHBondContact O-CG 3.09Å; H215-K226 HydrophobicContact CB-CB 4.35Å; H215-K226 HydrophobicContact CB-CG 4.24Å
216R90.3Very high92.6Very high182 Ų18272 Ų7269%0.68737%0.369SS*.G310 helixtrans-53.1-26.2-175.668.1-179.9-175.4139.3-1.8115.2M212 L213 G218M212-R216 PolarHBondContact O-N 3.27Å; M212-R216 VanDerWaalsContact O-N 3.11Å; L213-R216 WeakPolarHBondContact O-CB 3.34Å; L213-R216 PolarHBondContact O-N 3.3Å; R216-G218 VanDerWaalsContact C-N 3.35Å
217K85.3Confident92.5Very high191 Ų19166.5 Ų66.583%0.8334%0.342SS*.G310 helixtrans-78.9-11.7-178.3-62.5-173.5179.4-177.40114.2H215H215-K217 PolarHBondContact O-N 2.96Å
218G77.8Confident92.5Very high38 Ų3865.5 Ų65.539%0.39234%0.337SS..G310 helixtrans-90.91.2-172.800000116.2H215 R216 F222H215-G218 PolarHBondContact O-N 3.46Å; R216-G218 VanDerWaalsContact C-N 3.35Å; G218-F222 WeakPolarHBondContact O-CB 3.42Å
219G89.4Confident92.4Very high39 Ų3964.5 Ų64.540%0.40234%0.337SS..  trans89.7158.6-176.700000113.9W221 F222 M223G219-W221 PolarHBondContact O-N 2.83Å; G219-F222 PolarHBondContact O-N 2.83Å; G219-F222 VanDerWaalsContact O-N 3.17Å; G219-M223 WeakPolarHBondContact O-CG 3.44Å; G219-M223 PolarHBondContact O-N 2.99Å
220G91.3Very high92.3Very high54 Ų5464.3 Ų64.356%0.55733%0.332SS*.Hα-helixtrans-58-46.2-169.800000115.1F222 M223 L224G220-F222 VanDerWaalsContact C-N 3.35Å; G220-F222 PolarHBondContact O-N 3.5Å; G220-M223 WeakPolarHBondContact O-CB 3.24Å; G220-M223 PolarHBondContact O-N 3.21Å; G220-L224 PolarHBondContact O-N 2.84Å
221W92Very high92.3Very high92 Ų9262 Ų6235%0.34831%0.313SS..Hα-helixtrans-68.2-33.4178.4-61.3110.7000113G219 L224 A225 I289 R293G219-W221 PolarHBondContact O-N 2.83Å; W221-L224 HydrophobicContact CE3-CD2 3.94Å; W221-L224 HydrophobicContact CZ3-CD2 3.99Å; W221-A225 WeakPolarHBondContact O-CB 3.22Å; W221-A225 PolarHBondContact O-N 3.38Å; W221-I289 HydrophobicContact CD2-CB 4.31Å; W221-I289 HydrophobicContact CD2-CD1 4.16Å; W221-I289 HydrophobicContact CD2-CG2 3.81Å; W221-I289 HydrophobicContact CE3-CD1 3.85Å; W221-I289 HydrophobicContact CG-CB 4.38Å; W221-I289 HydrophobicContact CG-CG2 3.77Å; W221-I289 HydrophobicContact CH2-CD1 3.88Å; W221-I289 HydrophobicContact CZ2-CD1 4.17Å; W221-I289 HydrophobicContact CZ2-CG2 4.45Å; W221-I289 HydrophobicContact CZ3-CD1 3.71Å; W221-R293 VanDerWaalsContact CD1-NH1 3.34Å
222F91.5Very high92.4Very high50 Ų5062.2 Ų62.222%0.21931%0.313CS..Hα-helixtrans-70.9-39.3175.3-176.2-102.6000111.7H215 G218 G219 G220 A225 K226H215-F222 HydrophobicContact CB-CD1 4.31Å; H215-F222 HydrophobicContact CB-CE1 4.14Å; H215-F222 AromaticContact CD2-CE1 3.86Å; G218-F222 WeakPolarHBondContact O-CB 3.42Å; G219-F222 PolarHBondContact O-N 2.83Å; G219-F222 VanDerWaalsContact O-N 3.17Å; G220-F222 VanDerWaalsContact C-N 3.35Å; G220-F222 PolarHBondContact O-N 3.5Å; F222-A225 PolarHBondContact O-N 3.16Å; F222-K226 HydrophobicContact CD1-CG 4.21Å; F222-K226 HydrophobicContact CE1-CG 3.92Å; F222-K226 HydrophobicContact CE2-CG 4.41Å; F222-K226 HydrophobicContact CZ-CD 4.3Å; F222-K226 HydrophobicContact CZ-CG 4.04Å; F222-K226 WeakPolarHBondContact O-CG 3.39Å; F222-K226 PolarHBondContact O-N 2.81Å
223M94.9Very high92.4Very high43 Ų4360.5 Ų60.521%0.21230%0.304CS..Hα-helixtrans-58.8-49.6172.3-68.7166.263.200110.6M212 H215 G219 G220 A225 K226 G227M212-M223 HydrophobicContact CB-CB 4.37Å; M212-M223 HydrophobicContact CB-CE 4.16Å; M212-M223 HydrophobicContact CG-CB 4.16Å; M212-M223 WeakPolarHBondContact CG-O 3.36Å; M212-M223 HydrophobicContact SD-CB 4.31Å; H215-M223 WeakPolarHBondContact O-CG 3.09Å; G219-M223 WeakPolarHBondContact O-CG 3.44Å; G219-M223 PolarHBondContact O-N 2.99Å; G220-M223 WeakPolarHBondContact O-CB 3.24Å; G220-M223 PolarHBondContact O-N 3.21Å; M223-A225 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 3.15Å; M223-K226 PolarHBondContact O-N 2.95Å; M223-G227 PolarHBondContact O-N 2.88Å
224L95.1Very high92.5Very high44 Ų4456.4 Ų56.423%0.2328%0.282CS..Hα-helixtrans-56.2-47.9177179.959000111.3F208 G220 W221 K226 G227 C228 V282 A286F208-L224 HydrophobicContact CE2-CD1 4.01Å; F208-L224 HydrophobicContact CZ-CD1 3.61Å; G220-L224 PolarHBondContact O-N 2.84Å; W221-L224 HydrophobicContact CE3-CD2 3.94Å; W221-L224 HydrophobicContact CZ3-CD2 3.99Å; L224-K226 PolarHBondContact O-N 3.22Å; L224-G227 PolarHBondContact O-N 2.89Å; L224-C228 PolarHBondContact O-N 2.85Å; L224-C228 PolarHBondContact O-SG 3.43Å; L224-C228 VanDerWaalsContact O-SG 3.39Å; L224-V282 HydrophobicContact CD1-CG1 4.05Å; L224-V282 HydrophobicContact CD2-CG1 4.15Å; L224-V282 HydrophobicContact CG-CG1 4.14Å; L224-A286 HydrophobicContact CB-CB 4.36Å; L224-A286 HydrophobicContact CD2-CB 4.12Å; L224-A286 HydrophobicContact CG-CB 4.11Å
225A93.7Very high92.6Very high0 Ų047.2 Ų47.20%025%0.246CC..Hα-helixtrans-60.3-42.717800000112.6W221 F222 M223 G229 H283 A286W221-A225 WeakPolarHBondContact O-CB 3.22Å; W221-A225 PolarHBondContact O-N 3.38Å; F222-A225 PolarHBondContact O-N 3.16Å; M223-A225 VanDerWaalsContact C-N 3.33Å; M223-A225 PolarHBondContact O-N 3.15Å; A225-G229 PolarHBondContact O-N 2.83Å; A225-H283 PolarHBondContact O-CE1 3.26Å; A225-H283 PolarHBondContact O-ND1 3.49Å; A225-A286 HydrophobicContact CB-CB 3.85Å
226K93.4Very high92.8Very high76 Ų7644.9 Ų44.933%0.3324%0.236SC..Hα-helixtrans-69.2-37.2177.2-69.9-63.5-176.1-173.50112.9H215 F222 M223 L224 G229 Q230H215-K226 HydrophobicContact CB-CB 4.35Å; H215-K226 HydrophobicContact CB-CG 4.24Å; F222-K226 HydrophobicContact CD1-CG 4.21Å; F222-K226 HydrophobicContact CE1-CG 3.92Å; F222-K226 HydrophobicContact CE2-CG 4.41Å; F222-K226 HydrophobicContact CZ-CD 4.3Å; F222-K226 HydrophobicContact CZ-CG 4.04Å; F222-K226 WeakPolarHBondContact O-CG 3.39Å; F222-K226 PolarHBondContact O-N 2.81Å; M223-K226 PolarHBondContact O-N 2.95Å; L224-K226 PolarHBondContact O-N 3.22Å; K226-G229 PolarHBondContact O-N 2.9Å; K226-Q230 PolarHBondContact O-N 2.92Å; K226-Q230 VanDerWaalsContact O-N 3.07Å
227G95.3Very high93Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-58.2-55.6171.600000111.6M223 L224 G229 Q230 C231M223-G227 PolarHBondContact O-N 2.88Å; L224-G227 PolarHBondContact O-N 2.89Å; G227-G229 VanDerWaalsContact C-N 3.31Å; G227-G229 PolarHBondContact O-N 3.4Å; G227-Q230 PolarHBondContact O-N 3.15Å; G227-C231 PolarHBondContact O-N 3.03Å
228C96.3Very high93.5Very high2 Ų229.3 Ų29.31%0.01417%0.174CC..Hα-helixtrans-60.7-40.1177.6-64.10000112L224 Q230 C231 L232 F279 V282 H283L224-C228 PolarHBondContact O-N 2.85Å; L224-C228 PolarHBondContact O-SG 3.43Å; L224-C228 VanDerWaalsContact O-SG 3.39Å; C228-Q230 VanDerWaalsContact C-N 3.29Å; C228-Q230 PolarHBondContact O-N 2.84Å; C228-C231 PolarHBondContact O-N 2.94Å; C228-L232 WeakPolarHBondContact O-CG 3.48Å; C228-L232 PolarHBondContact O-N 3.44Å; C228-F279 HydrophobicContact CB-CD1 4.32Å; C228-V282 VanDerWaalsContact SG-CG1 3.53Å; C228-H283 HydrophobicContact CB-CB 3.74Å
229G94.1Very high94.3Very high16 Ų1628.4 Ų28.417%0.16516%0.161CC..Hα-helixtrans-60.2-37.5177.500000113A225 K226 G227 L232 N233A225-G229 PolarHBondContact O-N 2.83Å; K226-G229 PolarHBondContact O-N 2.9Å; G227-G229 VanDerWaalsContact C-N 3.31Å; G227-G229 PolarHBondContact O-N 3.4Å; G229-L232 PolarHBondContact O-N 3.24Å; G229-N233 PolarHBondContact O-N 3.02Å; G229-N233 PolarHBondContact O-ND2 3.04Å
230Q94.7Very high94.4Very high53 Ų5326.8 Ų26.825%0.24814%0.143CC..Hα-helixtrans-71.3-39.6176.6-169.166-9.500112.5L207 A211 K226 G227 C228 L232 N233 F234L207-Q230 HydrophobicContact CB-CG 4.26Å; L207-Q230 HydrophobicContact CD2-CG 4.5Å; A211-Q230 HydrophobicContact CB-CB 3.74Å; A211-Q230 HydrophobicContact CB-CG 4.2Å; K226-Q230 PolarHBondContact O-N 2.92Å; K226-Q230 VanDerWaalsContact O-N 3.07Å; G227-Q230 PolarHBondContact O-N 3.15Å; C228-Q230 VanDerWaalsContact C-N 3.29Å; C228-Q230 PolarHBondContact O-N 2.84Å; Q230-L232 VanDerWaalsContact C-N 3.31Å; Q230-L232 PolarHBondContact O-N 3.43Å; Q230-N233 PolarHBondContact O-N 3.47Å; Q230-N233 PolarHBondContact OE1-ND2 3.27Å; Q230-N233 VanDerWaalsContact OE1-ND2 3.11Å; Q230-F234 PolarHBondContact O-N 2.89Å
231C96.4Very high94.5Very high0 Ų026.5 Ų26.50%013%0.13CC..Hα-helixtrans-61.6-40.2171.2-64.10000111.6N204 G227 C228 F234 N235 F279N204-C231 PolarHBondContact O-SG 3.27Å; N204-C231 VanDerWaalsContact O-SG 3.36Å; G227-C231 PolarHBondContact O-N 3.03Å; C228-C231 PolarHBondContact O-N 2.94Å; C231-F234 PolarHBondContact O-N 3.43Å; C231-N235 WeakPolarHBondContact O-CB 3.32Å; C231-N235 PolarHBondContact O-N 3.43Å; C231-N235 PolarHBondContact O-ND2 2.99Å; C231-F279 HydrophobicContact CB-CD1 4.01Å; C231-F279 HydrophobicContact CB-CD2 3.9Å; C231-F279 HydrophobicContact CB-CE1 3.91Å; C231-F279 HydrophobicContact CB-CE2 3.8Å; C231-F279 HydrophobicContact CB-CG 4.02Å; C231-F279 HydrophobicContact CB-CZ 3.81Å
232L95.8Very high94.6Very high17 Ų1722.7 Ų22.79%0.08912%0.116CC..Hα-helixtrans-62.8-41.8176.6-74.7168.1000112C228 G229 Q230 F234 N235 C236 I276 F279 T280 H283C228-L232 WeakPolarHBondContact O-CG 3.48Å; C228-L232 PolarHBondContact O-N 3.44Å; G229-L232 PolarHBondContact O-N 3.24Å; Q230-L232 VanDerWaalsContact C-N 3.31Å; Q230-L232 PolarHBondContact O-N 3.43Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.19Å; L232-N235 PolarHBondContact O-N 3.09Å; L232-C236 WeakPolarHBondContact O-CB 3.3Å; L232-C236 PolarHBondContact O-N 2.98Å; L232-C236 PolarHBondContact O-SG 3.28Å; L232-I276 HydrophobicContact CD2-CG2 4.14Å; L232-F279 HydrophobicContact CD1-CB 4.38Å; L232-F279 HydrophobicContact CD2-CB 3.69Å; L232-F279 HydrophobicContact CG-CB 3.77Å; L232-T280 VanDerWaalsContact CD2-OG1 3.27Å; L232-T280 WeakPolarHBondContact CD2-OG1 3.13Å; L232-H283 HydrophobicContact CD1-CB 3.92Å
233N94.4Very high94.6Very high11 Ų1121.7 Ų21.76%0.05911%0.113CC..Hα-helixtrans-55.3-47.5175.9-71.2-30.3000111.9G229 Q230 T237 C369 F372 W375G229-N233 PolarHBondContact O-N 3.02Å; G229-N233 PolarHBondContact O-ND2 3.04Å; Q230-N233 PolarHBondContact O-N 3.47Å; Q230-N233 PolarHBondContact OE1-ND2 3.27Å; Q230-N233 VanDerWaalsContact OE1-ND2 3.11Å; N233-T237 PolarHBondContact O-OG1 2.85Å; N233-C369 PolarHBondContact OD1-SG 3.32Å; N233-F372 HydrophobicContact CB-CD2 4.4Å; N233-W375 HydrophobicContact CB-CG 4.29Å
234F95.4Very high94.4Very high28 Ų2820.2 Ų20.212%0.12311%0.106CC..Hα-helixtrans-65.2-54.4176.6169.7-110.5000111.6Y200 L203 L207 Q230 C231 L232 C236 T237 F238 W375Y200-F234 HydrophobicContact CD2-CE1 4.04Å; Y200-F234 AromaticContact CE2-CE1 3.8Å; Y200-F234 HydrophobicContact CE2-CE1 3.8Å; L203-F234 HydrophobicContact CD2-CE1 3.98Å; L203-F234 HydrophobicContact CD2-CE2 3.84Å; L203-F234 HydrophobicContact CD2-CZ 3.53Å; L207-F234 HydrophobicContact CD1-CB 3.82Å; L207-F234 HydrophobicContact CD1-CD1 4.35Å; L207-F234 HydrophobicContact CD1-CG 4.01Å; Q230-F234 PolarHBondContact O-N 2.89Å; C231-F234 PolarHBondContact O-N 3.43Å; L232-F234 VanDerWaalsContact C-N 3.31Å; L232-F234 PolarHBondContact O-N 3.19Å; F234-C236 PolarHBondContact O-N 3.07Å; F234-T237 WeakPolarHBondContact O-CB 3.41Å; F234-T237 PolarHBondContact O-N 3.44Å; F234-T237 VanDerWaalsContact O-N 3.16Å; F234-F238 HydrophobicContact CD2-CB 4.48Å; F234-F238 HydrophobicContact CE1-CB 4.38Å; F234-F238 HydrophobicContact CE1-CD1 4.4Å; F234-F238 HydrophobicContact CE1-CG 4.4Å; F234-F238 HydrophobicContact CE2-CB 4.08Å; F234-F238 HydrophobicContact CE2-CD2 4.3Å; F234-F238 HydrophobicContact CE2-CG 4.19Å; F234-F238 HydrophobicContact CZ-CB 4.02Å; F234-F238 HydrophobicContact CZ-CD1 4.11Å; F234-F238 HydrophobicContact CZ-CD2 4.16Å; F234-F238 AromaticContact CZ-CG 3.83Å; F234-F238 HydrophobicContact CZ-CG 3.83Å; F234-F238 VanDerWaalsContact O-CB 3.3Å; F234-F238 WeakPolarHBondContact O-CB 3.42Å; F234-F238 PolarHBondContact O-N 3.47Å; F234-W375 HydrophobicContact CB-CZ3 4.46Å; F234-W375 HydrophobicContact CD2-CZ3 4.22Å
235N96.5Very high94Very high0 Ų020.2 Ų20.20%010%0.103CC..Hα-helixtrans-66.3-40.8-172.5-73.1-63.9000113.3Y200 N204 C231 L232 T237 F238 V239 V272 I276Y200-N235 WeakPolarHBondContact CE2-OD1 3.38Å; Y200-N235 PolarHBondContact OH-OD1 3.49Å; N204-N235 PolarHBondContact OD1-ND2 3.26Å; C231-N235 WeakPolarHBondContact O-CB 3.32Å; C231-N235 PolarHBondContact O-N 3.43Å; C231-N235 PolarHBondContact O-ND2 2.99Å; L232-N235 PolarHBondContact O-N 3.09Å; N235-T237 PolarHBondContact O-N 3.32Å; N235-F238 PolarHBondContact O-N 3.05Å; N235-V239 WeakPolarHBondContact O-CB 3.42Å; N235-V239 WeakPolarHBondContact O-CG1 3.3Å; N235-V239 PolarHBondContact O-N 3.35Å; N235-V272 HydrophobicContact CB-CG1 4.06Å; N235-I276 HydrophobicContact CB-CD1 4.34Å; N235-I276 HydrophobicContact CB-CG1 3.68Å
236C94.8Very high93.6Very high7 Ų723 Ų235%0.04711%0.113CC..Hα-helixtrans-65-22.9176.7-690000112.8L232 F234 V239 L365 F372L232-C236 WeakPolarHBondContact O-CB 3.3Å; L232-C236 PolarHBondContact O-N 2.98Å; L232-C236 PolarHBondContact O-SG 3.28Å; F234-C236 PolarHBondContact O-N 3.07Å; C236-V239 WeakPolarHBondContact O-CG1 3.36Å; C236-L365 HydrophobicContact CB-CD1 3.85Å; C236-F372 HydrophobicContact CB-CE2 3.91Å; C236-F372 HydrophobicContact CB-CZ 4.19Å
237T94.5Very high93.4Very high9 Ų922 Ų226%0.05512%0.115CC..Hα-helixtrans-85.5-44.9171.5-54.90000110.8N233 F234 N235 V239 M240 V241 W375 P379N233-T237 PolarHBondContact O-OG1 2.85Å; F234-T237 WeakPolarHBondContact O-CB 3.41Å; F234-T237 PolarHBondContact O-N 3.44Å; F234-T237 VanDerWaalsContact O-N 3.16Å; N235-T237 PolarHBondContact O-N 3.32Å; T237-V239 PolarHBondContact O-N 2.95Å; T237-M240 WeakPolarHBondContact O-CB 3.4Å; T237-M240 PolarHBondContact O-N 2.98Å; T237-V241 PolarHBondContact O-N 3.44Å; T237-W375 HydrophobicContact CG2-CB 4.46Å; T237-W375 VanDerWaalsContact CG2-O 3.22Å; T237-W375 WeakPolarHBondContact CG2-O 3.36Å; T237-W375 WeakPolarHBondContact OG1-CB 3.5Å; T237-P379 HydrophobicContact CG2-CB 3.91Å; T237-P379 HydrophobicContact CG2-CG 3.65Å
238F95.2Very high93Very high37 Ų3722.8 Ų22.816%0.16212%0.119CC..Hα-helixtrans-66-35.3-175.4-172.1-119.2000112.9F196 Y200 F234 N235 M240 V241 L242 V272F196-F238 HydrophobicContact CZ-CE1 4.49Å; F196-F238 AromaticContact CZ-CZ 3.99Å; F196-F238 HydrophobicContact CZ-CZ 3.99Å; Y200-F238 HydrophobicContact CD2-CD1 4.41Å; Y200-F238 HydrophobicContact CD2-CE1 4.2Å; Y200-F238 HydrophobicContact CE2-CD1 4.1Å; Y200-F238 HydrophobicContact CE2-CE1 4.28Å; F234-F238 HydrophobicContact CD2-CB 4.48Å; F234-F238 HydrophobicContact CE1-CB 4.38Å; F234-F238 HydrophobicContact CE1-CD1 4.4Å; F234-F238 HydrophobicContact CE1-CG 4.4Å; F234-F238 HydrophobicContact CE2-CB 4.08Å; F234-F238 HydrophobicContact CE2-CD2 4.3Å; F234-F238 HydrophobicContact CE2-CG 4.19Å; F234-F238 HydrophobicContact CZ-CB 4.02Å; F234-F238 HydrophobicContact CZ-CD1 4.11Å; F234-F238 HydrophobicContact CZ-CD2 4.16Å; F234-F238 AromaticContact CZ-CG 3.83Å; F234-F238 HydrophobicContact CZ-CG 3.83Å; F234-F238 VanDerWaalsContact O-CB 3.3Å; F234-F238 WeakPolarHBondContact O-CB 3.42Å; F234-F238 PolarHBondContact O-N 3.47Å; N235-F238 PolarHBondContact O-N 3.05Å; F238-M240 PolarHBondContact O-N 3.18Å; F238-V241 HydrophobicContact CD2-CB 4.37Å; F238-V241 WeakPolarHBondContact O-CB 3.43Å; F238-V241 PolarHBondContact O-N 3.05Å; F238-V241 VanDerWaalsContact O-N 3.07Å; F238-L242 HydrophobicContact CD1-CD1 4.17Å; F238-L242 HydrophobicContact CD1-CG 4.5Å; F238-L242 HydrophobicContact CE1-CD1 3.86Å; F238-L242 HydrophobicContact CE1-CD2 4.17Å; F238-L242 HydrophobicContact CE1-CG 4.12Å; F238-L242 HydrophobicContact CE2-CD2 4.46Å; F238-L242 HydrophobicContact CZ-CD1 4.37Å; F238-L242 HydrophobicContact CZ-CD2 3.85Å; F238-L242 HydrophobicContact CZ-CG 4.15Å; F238-L242 WeakPolarHBondContact O-CG 3.32Å; F238-L242 PolarHBondContact O-N 3.11Å; F238-L242 VanDerWaalsContact O-N 3.15Å; F238-V272 HydrophobicContact CD1-CG2 3.86Å; F238-V272 HydrophobicContact CE1-CG2 4.09Å
239V95.1Very high92.4Very high19 Ų1923.4 Ų23.412%0.11512%0.123CC..Hα-helixtrans-57.9-31176.371.40000112.8N235 C236 T237 H269 V272 I276N235-V239 WeakPolarHBondContact O-CB 3.42Å; N235-V239 WeakPolarHBondContact O-CG1 3.3Å; N235-V239 PolarHBondContact O-N 3.35Å; C236-V239 WeakPolarHBondContact O-CG1 3.36Å; T237-V239 PolarHBondContact O-N 2.95Å; V239-H269 VanDerWaalsContact CG2-CE1 3.45Å; V239-H269 WeakPolarHBondContact CG2-CE1 3.21Å; V239-H269 VanDerWaalsContact CG2-ND1 3.25Å; V239-H269 WeakPolarHBondContact CG2-ND1 3.1Å; V239-H269 PolarHBondContact O-ND1 3.36Å; V239-H269 VanDerWaalsContact O-ND1 3.14Å; V239-V272 HydrophobicContact CB-CG1 3.8Å; V239-V272 HydrophobicContact CG2-CG1 4.26Å; V239-I276 HydrophobicContact CB-CD1 3.95Å; V239-I276 HydrophobicContact CG1-CD1 3.87Å; V239-I276 HydrophobicContact CG2-CD1 4.28Å
240M93.1Very high91.9Very high5 Ų531.4 Ų31.43%0.02515%0.148CC..Hα-helixtrans-76.9-41.3175.3178-176.662.400111.7T237 F238 L242 M243 L244 W362 F376 P379 F383T237-M240 WeakPolarHBondContact O-CB 3.4Å; T237-M240 PolarHBondContact O-N 2.98Å; F238-M240 PolarHBondContact O-N 3.18Å; M240-L242 PolarHBondContact O-N 3.27Å; M240-M243 CarbonylContact O-C 3.55Å; M240-M243 WeakPolarHBondContact O-CA 3.31Å; M240-M243 PolarHBondContact O-N 3.32Å; M240-L244 PolarHBondContact O-N 3.33Å; M240-W362 HydrophobicContact CB-CH2 4.45Å; M240-W362 HydrophobicContact CB-CZ2 3.93Å; M240-W362 HydrophobicContact CG-CH2 3.86Å; M240-W362 HydrophobicContact CG-CZ2 3.85Å; M240-W362 HydrophobicContact SD-CH2 3.53Å; M240-W362 VanDerWaalsContact SD-CH2 3.53Å; M240-W362 HydrophobicContact SD-CZ2 3.71Å; M240-W362 HydrophobicContact SD-CZ3 4.1Å; M240-F376 HydrophobicContact CE-CD2 4.34Å; M240-F376 HydrophobicContact CE-CE2 4.15Å; M240-F376 HydrophobicContact SD-CE2 4.07Å; M240-P379 HydrophobicContact CE-CB 3.37Å; M240-P379 WeakPolarHBondContact CE-O 3.41Å; M240-F383 HydrophobicContact CE-CB 4.46Å; M240-F383 HydrophobicContact CG-CB 4.07Å; M240-F383 HydrophobicContact CG-CD2 3.49Å; M240-F383 VanDerWaalsContact CG-CD2 3.49Å; M240-F383 HydrophobicContact CG-CE2 4.07Å; M240-F383 HydrophobicContact CG-CG 3.84Å; M240-F383 HydrophobicContact SD-CB 3.64Å; M240-F383 HydrophobicContact SD-CD1 4.27Å; M240-F383 HydrophobicContact SD-CD2 4.05Å; M240-F383 HydrophobicContact SD-CG 3.73Å
241V93.3Very high91.4Very high47 Ų4731 Ų3129%0.28515%0.147SC..Hα-helixtrans-57.3-38.4176.91750000111T237 F238 M243 L244 P379T237-V241 PolarHBondContact O-N 3.44Å; F238-V241 HydrophobicContact CD2-CB 4.37Å; F238-V241 WeakPolarHBondContact O-CB 3.43Å; F238-V241 PolarHBondContact O-N 3.05Å; F238-V241 VanDerWaalsContact O-N 3.07Å; V241-M243 PolarHBondContact O-N 3.02Å; V241-M243 VanDerWaalsContact O-N 3.14Å; V241-L244 HydrophobicContact CG1-CD1 4.38Å; V241-L244 WeakPolarHBondContact O-CB 3.15Å; V241-L244 PolarHBondContact O-N 3.14Å; V241-P379 HydrophobicContact CG2-CB 3.98Å; V241-P379 HydrophobicContact CG2-CG 4.45Å
242L92.7Very high90.7Very high12 Ų1232.6 Ų32.66%0.06315%0.153CC..THydrogen-bonded Turntrans-63.9-16.3175.6-65.1173.9000113.7F238 M240 L248 N265 L268 H269 V272F238-L242 HydrophobicContact CD1-CD1 4.17Å; F238-L242 HydrophobicContact CD1-CG 4.5Å; F238-L242 HydrophobicContact CE1-CD1 3.86Å; F238-L242 HydrophobicContact CE1-CD2 4.17Å; F238-L242 HydrophobicContact CE1-CG 4.12Å; F238-L242 HydrophobicContact CE2-CD2 4.46Å; F238-L242 HydrophobicContact CZ-CD1 4.37Å; F238-L242 HydrophobicContact CZ-CD2 3.85Å; F238-L242 HydrophobicContact CZ-CG 4.15Å; F238-L242 WeakPolarHBondContact O-CG 3.32Å; F238-L242 PolarHBondContact O-N 3.11Å; F238-L242 VanDerWaalsContact O-N 3.15Å; M240-L242 PolarHBondContact O-N 3.27Å; L242-L248 WeakPolarHBondContact O-CD1 3.49Å; L242-N265 WeakPolarHBondContact O-CB 3.49Å; L242-N265 PolarHBondContact O-ND2 2.95Å; L242-N265 VanDerWaalsContact O-ND2 3.07Å; L242-L268 HydrophobicContact CD1-CB 3.86Å; L242-L268 HydrophobicContact CD2-CB 4.14Å; L242-L268 HydrophobicContact CD2-CD1 4.31Å; L242-H269 HydrophobicContact CB-CB 4.24Å; L242-H269 HydrophobicContact CD1-CB 4.3Å; L242-V272 HydrophobicContact CD1-CB 4.44Å; L242-V272 HydrophobicContact CD1-CG2 3.86Å
243M91.4Very high89.6Confident29 Ų2935.4 Ų35.414%0.14318%0.179CC..THydrogen-bonded Turntrans-106.88.7-179.9-70.7-65.5172.400114M240 V241 R245 I266 H269M240-M243 CarbonylContact O-C 3.55Å; M240-M243 WeakPolarHBondContact O-CA 3.31Å; M240-M243 PolarHBondContact O-N 3.32Å; V241-M243 PolarHBondContact O-N 3.02Å; V241-M243 VanDerWaalsContact O-N 3.14Å; M243-R245 PolarHBondContact O-N 2.92Å; M243-I266 HydrophobicContact CE-CG1 4.25Å; M243-H269 HydrophobicContact CE-CB 3.5Å; M243-H269 VanDerWaalsContact CE-CB 3.5Å; M243-H269 VanDerWaalsContact CE-CD2 3.42Å; M243-H269 WeakPolarHBondContact CE-CD2 3.44Å; M243-H269 WeakPolarHBondContact CE-ND1 3.28Å; M243-H269 WeakPolarHBondContact CG-ND1 3.34Å
244L90.9Very high89Confident13 Ų1336.7 Ų36.77%0.06819%0.188CC..  trans-7672.4168.6-64.1173.3000110.1M240 V241 R246 C247 L248 V382 F383 E386M240-L244 PolarHBondContact O-N 3.33Å; V241-L244 HydrophobicContact CG1-CD1 4.38Å; V241-L244 WeakPolarHBondContact O-CB 3.15Å; V241-L244 PolarHBondContact O-N 3.14Å; L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.94Å; L244-C247 HydrophobicContact CB-CB 4.03Å; L244-C247 PolarHBondContact O-N 2.98Å; L244-L248 VanDerWaalsContact O-CB 3.31Å; L244-L248 WeakPolarHBondContact O-CB 3.33Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.03Å; L244-V382 HydrophobicContact CD1-CG1 3.96Å; L244-V382 HydrophobicContact CD2-CG1 4.22Å; L244-F383 VanDerWaalsContact CD2-CA 3.45Å; L244-F383 HydrophobicContact CD2-CB 3.8Å; L244-F383 HydrophobicContact CD2-CD2 3.85Å; L244-F383 HydrophobicContact CD2-CG 4.29Å; L244-E386 WeakPolarHBondContact CA-OE1 3.45Å; L244-E386 WeakPolarHBondContact CA-OE2 3.21Å
245R86.8Confident88.3Confident44 Ų4444.2 Ų44.217%0.16622%0.215CC..Hα-helixtrans-66.9-34-164.8-65.1-177.3-169.1-145.914.5112.7M243 T249 E386 Y429 Y431 Y588M243-R245 PolarHBondContact O-N 2.92Å; R245-T249 VanDerWaalsContact O-CB 3.28Å; R245-T249 WeakPolarHBondContact O-CB 3.28Å; R245-T249 PolarHBondContact O-N 3.16Å; R245-T249 PolarHBondContact O-OG1 3.18Å; R245-E386 PolarHBondContact N-OE1 3.44Å; R245-E386 PolarHBondContact N-OE2 3.33Å; R245-Y429 PolarHBondContact NH1-OH 3.48Å; R245-Y431 VanDerWaalsContact CZ-OH 3.27Å; R245-Y431 VanDerWaalsContact NH1-CE2 3.31Å; R245-Y431 PolarHBondContact NH1-OH 3.23Å; R245-Y431 PolarHBondContact NH2-OH 3.06Å; R245-Y431 VanDerWaalsContact NH2-OH 3.15Å; R245-Y588 HydrophobicContact CB-CD1 3.65Å; R245-Y588 HydrophobicContact CB-CE1 3.38Å; R245-Y588 HydrophobicContact CG-CE1 4.49Å
246R86.4Confident87.4Confident59 Ų5945.5 Ų45.522%0.22322%0.223CC..Hα-helixtrans-72.8-46.2178-63.2-177.6171.6-127.7-3.4109.8L244 L248 T249 W250 E386 D585 Y588L244-R246 VanDerWaalsContact C-N 3.34Å; L244-R246 PolarHBondContact O-N 2.94Å; R246-L248 VanDerWaalsContact C-N 3.34Å; R246-L248 PolarHBondContact O-N 3.44Å; R246-T249 WeakPolarHBondContact O-CB 3.42Å; R246-T249 PolarHBondContact O-N 3.05Å; R246-W250 PolarHBondContact O-N 3.43Å; R246-E386 HydrophobicContact CB-CG 3.93Å; R246-E386 WeakPolarHBondContact CB-OE2 3.46Å; R246-E386 HydrophobicContact CG-CG 4.02Å; R246-E386 PolarHBondContact N-OE2 3.19Å; R246-D585 IonicContact CZ-OD1 2.62Å; R246-D585 IonicContact NE-OD1 2.89Å; R246-D585 IonicContact NH2-OD1 2.77Å; R246-D585 PolarHBondContact NH2-OD1 2.81Å; R246-Y588 HydrophobicContact CG-CE1 3.78Å
247C88.7Confident86.5Confident54 Ų5446.4 Ų46.437%0.36523%0.228SC..Hα-helixtrans-60.6-43.1175.2-60.40000111.9L244 T249 W250 L251 E386L244-C247 HydrophobicContact CB-CB 4.03Å; L244-C247 PolarHBondContact O-N 2.98Å; C247-T249 VanDerWaalsContact C-N 3.34Å; C247-T249 PolarHBondContact O-N 2.74Å; C247-W250 PolarHBondContact O-N 2.92Å; C247-L251 WeakPolarHBondContact O-CB 3.36Å; C247-L251 PolarHBondContact O-N 3.09Å; C247-E386 PolarHBondContact N-OE2 2.91Å; C247-E386 PolarHBondContact SG-OE2 2.83Å
248L87.1Confident85.4Confident16 Ų1655.1 Ų55.18%0.08426%0.26CS..Hα-helixtrans-66.6-36176.7-70173000112L242 L244 R246 W250 L251 R252 L262 N265L242-L248 WeakPolarHBondContact O-CD1 3.49Å; L244-L248 VanDerWaalsContact O-CB 3.31Å; L244-L248 WeakPolarHBondContact O-CB 3.33Å; L244-L248 WeakPolarHBondContact O-CG 3.43Å; L244-L248 PolarHBondContact O-N 3.03Å; R246-L248 VanDerWaalsContact C-N 3.34Å; R246-L248 PolarHBondContact O-N 3.44Å; L248-W250 VanDerWaalsContact C-N 3.34Å; L248-L251 PolarHBondContact O-N 3.44Å; L248-R252 VanDerWaalsContact O-CG 3.3Å; L248-R252 WeakPolarHBondContact O-CG 3.44Å; L248-R252 PolarHBondContact O-N 2.84Å; L248-L262 HydrophobicContact CD2-CD2 4.08Å; L248-N265 HydrophobicContact CD1-CB 3.84Å; L248-N265 VanDerWaalsContact CD1-ND2 3.25Å; L248-N265 WeakPolarHBondContact CD1-ND2 3.45Å
249T82.8Confident84.5Confident16 Ų1657.7 Ų57.710%0.09828%0.275CS..Hα-helixtrans-64.3-40.3174.5-63.10000111.5R245 R246 C247 R252 G589R245-T249 VanDerWaalsContact O-CB 3.28Å; R245-T249 WeakPolarHBondContact O-CB 3.28Å; R245-T249 PolarHBondContact O-N 3.16Å; R245-T249 PolarHBondContact O-OG1 3.18Å; R246-T249 WeakPolarHBondContact O-CB 3.42Å; R246-T249 PolarHBondContact O-N 3.05Å; C247-T249 VanDerWaalsContact C-N 3.34Å; C247-T249 PolarHBondContact O-N 2.74Å; T249-R252 PolarHBondContact OG1-NH1 3.25Å; T249-G589 VanDerWaalsContact CG2-N 3.32Å; T249-G589 PolarHBondContact OG1-N 3.34Å
250W84.6Confident83.7Confident183 Ų18359.5 Ų59.569%0.69328%0.283SS*.Hα-helixtrans-66-45.5172.8179.185.8000111.5R246 C247 L248 R252 A253 T254R246-W250 PolarHBondContact O-N 3.43Å; C247-W250 PolarHBondContact O-N 2.92Å; L248-W250 VanDerWaalsContact C-N 3.34Å; W250-R252 VanDerWaalsContact C-N 3.27Å; W250-R252 PolarHBondContact O-N 3.47Å; W250-A253 VanDerWaalsContact O-CB 3.32Å; W250-A253 WeakPolarHBondContact O-CB 3.25Å; W250-A253 PolarHBondContact O-N 3.46Å; W250-T254 HydrophobicContact CZ3-CG2 4.5Å
251L84.6Confident83.1Confident44 Ų4460 Ų6023%0.2329%0.287CS..Hα-helixtrans-62.7-33179.5-167.667.2000112.4C247 L248 A253 T254 V256 L262C247-L251 WeakPolarHBondContact O-CB 3.36Å; C247-L251 PolarHBondContact O-N 3.09Å; L248-L251 PolarHBondContact O-N 3.44Å; L251-A253 PolarHBondContact O-N 2.85Å; L251-T254 WeakPolarHBondContact O-CB 3.42Å; L251-T254 PolarHBondContact O-N 3.01Å; L251-T254 PolarHBondContact O-OG1 2.63Å; L251-V256 HydrophobicContact CD1-CB 4.08Å; L251-V256 HydrophobicContact CD1-CG1 4.21Å; L251-V256 HydrophobicContact CD1-CG2 4.03Å; L251-V256 HydrophobicContact CD2-CG1 4.16Å; L251-V256 HydrophobicContact CG-CB 4.23Å; L251-V256 HydrophobicContact CG-CG1 4.13Å; L251-L262 HydrophobicContact CB-CD1 4.04Å; L251-L262 HydrophobicContact CD2-CD1 3.71Å; L251-L262 HydrophobicContact CD2-CD2 3.9Å; L251-L262 HydrophobicContact CD2-CG 4.48Å; L251-L262 HydrophobicContact CG-CD1 3.65Å
252R79.8Confident82.5Confident34 Ų3458.5 Ų58.513%0.12828%0.277CS..THydrogen-bonded Turntrans-60.5-25.6172.7-78.9179.6-16111113.5113.5L248 T249 W250 T254 L262 D263 G589L248-R252 VanDerWaalsContact O-CG 3.3Å; L248-R252 WeakPolarHBondContact O-CG 3.44Å; L248-R252 PolarHBondContact O-N 2.84Å; T249-R252 PolarHBondContact OG1-NH1 3.25Å; W250-R252 VanDerWaalsContact C-N 3.27Å; W250-R252 PolarHBondContact O-N 3.47Å; R252-T254 PolarHBondContact O-N 3.44Å; R252-L262 HydrophobicContact CG-CB 3.92Å; R252-L262 HydrophobicContact CG-CD1 4.26Å; R252-L262 PolarHBondContact NE-O 2.89Å; R252-L262 PolarHBondContact NH2-O 2.86Å; R252-D263 WeakPolarHBondContact CD-OD1 3.39Å; R252-D263 IonicContact NE-OD1 2.68Å; R252-D263 PolarHBondContact NE-OD1 3Å; R252-G589 PolarHBondContact NH1-O 3.24Å; R252-G589 VanDerWaalsContact NH1-O 3.09Å
253A73.6Confident81.5Confident76 Ų7660.4 Ų60.463%0.62829%0.288SS*.THydrogen-bonded Turntrans-78.3-4.6176.200000113W250 L251W250-A253 VanDerWaalsContact O-CB 3.32Å; W250-A253 WeakPolarHBondContact O-CB 3.25Å; W250-A253 PolarHBondContact O-N 3.46Å; L251-A253 PolarHBondContact O-N 2.85Å
254T82.1Confident80.9Confident39 Ų3962.3 Ų62.324%0.23930%0.296CS..SBendtrans-103.5170.8-178.674.60000112W250 L251 R252 V256 V257W250-T254 HydrophobicContact CZ3-CG2 4.5Å; L251-T254 WeakPolarHBondContact O-CB 3.42Å; L251-T254 PolarHBondContact O-N 3.01Å; L251-T254 PolarHBondContact O-OG1 2.63Å; R252-T254 PolarHBondContact O-N 3.44Å; T254-V256 PolarHBondContact O-N 2.75Å; T254-V256 VanDerWaalsContact O-N 3.09Å; T254-V256 WeakPolarHBondContact OG1-CB 3.48Å; T254-V256 WeakPolarHBondContact OG1-CG2 3.47Å; T254-V256 PolarHBondContact OG1-N 2.67Å; T254-V257 WeakPolarHBondContact O-CG1 3.5Å; T254-V257 PolarHBondContact O-N 3.19Å
255W79.5Confident80.7Confident185 Ų18562.2 Ų62.270%0.70130%0.296SS*.G310 helixtrans-59.8-19.6177.165.7-89.7000114V257 R258 I259W255-V257 PolarHBondContact O-N 3.37Å; W255-R258 WeakPolarHBondContact O-CB 3.3Å; W255-R258 PolarHBondContact O-N 3.4Å; W255-I259 HydrophobicContact CE3-CD1 4.18Å; W255-I259 HydrophobicContact CZ3-CD1 3.55Å
256V79.5Confident80.7Confident28 Ų2863.5 Ų63.517%0.1731%0.305CS..G310 helixtrans-59.2-29.2-177.6177.80000112.5L251 T254 R258 I259 L260 L262L251-V256 HydrophobicContact CD1-CB 4.08Å; L251-V256 HydrophobicContact CD1-CG1 4.21Å; L251-V256 HydrophobicContact CD1-CG2 4.03Å; L251-V256 HydrophobicContact CD2-CG1 4.16Å; L251-V256 HydrophobicContact CG-CB 4.23Å; L251-V256 HydrophobicContact CG-CG1 4.13Å; T254-V256 PolarHBondContact O-N 2.75Å; T254-V256 VanDerWaalsContact O-N 3.09Å; T254-V256 WeakPolarHBondContact OG1-CB 3.48Å; T254-V256 WeakPolarHBondContact OG1-CG2 3.47Å; T254-V256 PolarHBondContact OG1-N 2.67Å; V256-R258 PolarHBondContact O-N 2.55Å; V256-R258 VanDerWaalsContact O-N 3.16Å; V256-I259 PolarHBondContact O-N 3.24Å; V256-L260 HydrophobicContact CG1-CB 4.26Å; V256-L260 HydrophobicContact CG1-CD1 3.59Å; V256-L260 HydrophobicContact CG1-CG 4.01Å; V256-L260 PolarHBondContact O-N 3.26Å; V256-L262 HydrophobicContact CG1-CD1 4.38Å
257V75.8Confident80.7Confident25 Ų2563.8 Ų63.815%0.15231%0.311CS..G310 helixtrans-61.8-22.4177.3770000113.3T254 W255 I259 L262T254-V257 WeakPolarHBondContact O-CG1 3.5Å; T254-V257 PolarHBondContact O-N 3.19Å; W255-V257 PolarHBondContact O-N 3.37Å; V257-I259 VanDerWaalsContact C-N 3.26Å; V257-I259 PolarHBondContact O-N 2.94Å; V257-L262 HydrophobicContact CB-CD1 4.44Å
258R70.3Confident80.8Confident193 Ų19361.7 Ų61.773%0.72830%0.296SS*.G310 helixtrans-70.5-25176.5-63.1-175.8-177.7176.82112.2R192 W255 V256R192-R258 WeakPolarHBondContact CD-O 3.43Å; W255-R258 WeakPolarHBondContact O-CB 3.3Å; W255-R258 PolarHBondContact O-N 3.4Å; V256-R258 PolarHBondContact O-N 2.55Å; V256-R258 VanDerWaalsContact O-N 3.16Å
259I76.9Confident81.1Confident90 Ų9062.3 Ų62.346%0.46230%0.298SS..THydrogen-bonded Turntrans-104.2-46.1-177.2-59.5177.6000110.9W255 V256 V257W255-I259 HydrophobicContact CE3-CD1 4.18Å; W255-I259 HydrophobicContact CZ3-CD1 3.55Å; V256-I259 PolarHBondContact O-N 3.24Å; V257-I259 VanDerWaalsContact C-N 3.26Å; V257-I259 PolarHBondContact O-N 2.94Å
260L78.6Confident81.6Confident57 Ų5765.6 Ų65.630%0.29831%0.312SS..SBendtrans-98.7133.8-174.6-63.8-178000111.6F196 V256 L262F196-L260 HydrophobicContact CD2-CD2 3.62Å; F196-L260 HydrophobicContact CE2-CD2 3.92Å; V256-L260 HydrophobicContact CG1-CB 4.26Å; V256-L260 HydrophobicContact CG1-CD1 3.59Å; V256-L260 HydrophobicContact CG1-CG 4.01Å; V256-L260 PolarHBondContact O-N 3.26Å; L260-L262 HydrophobicContact CB-CD2 3.8Å; L260-L262 HydrophobicContact CB-CG 3.98Å; L260-L262 HydrophobicContact CD1-CD2 4.29Å; L260-L262 PolarHBondContact O-N 2.94Å
261P80Confident82Confident16 Ų1659.6 Ų59.610%0.10429%0.294CS..  trans-76.860.9176.633.7-36.6000111.8F196 D263 Q264 L268F196-P261 HydrophobicContact CB-CG 3.78Å; F196-P261 HydrophobicContact CD1-CG 4Å; F196-P261 HydrophobicContact CD2-CG 4.42Å; F196-P261 HydrophobicContact CG-CG 3.79Å; P261-D263 PolarHBondContact O-N 2.83Å; P261-D263 VanDerWaalsContact O-N 3.12Å; P261-Q264 PolarHBondContact O-N 2.93Å; P261-L268 HydrophobicContact CG-CD1 4.34Å
262L79.6Confident82.6Confident16 Ų1657.7 Ų57.78%0.08428%0.283CS..G310 helixtrans-61.4-21-177.5-57.8179.3000113.2L248 L251 R252 V256 V257 L260 Q264L248-L262 HydrophobicContact CD2-CD2 4.08Å; L251-L262 HydrophobicContact CB-CD1 4.04Å; L251-L262 HydrophobicContact CD2-CD1 3.71Å; L251-L262 HydrophobicContact CD2-CD2 3.9Å; L251-L262 HydrophobicContact CD2-CG 4.48Å; L251-L262 HydrophobicContact CG-CD1 3.65Å; R252-L262 HydrophobicContact CG-CB 3.92Å; R252-L262 HydrophobicContact CG-CD1 4.26Å; R252-L262 PolarHBondContact NE-O 2.89Å; R252-L262 PolarHBondContact NH2-O 2.86Å; V256-L262 HydrophobicContact CG1-CD1 4.38Å; V257-L262 HydrophobicContact CB-CD1 4.44Å; L260-L262 HydrophobicContact CB-CD2 3.8Å; L260-L262 HydrophobicContact CB-CG 3.98Å; L260-L262 HydrophobicContact CD1-CD2 4.29Å; L260-L262 PolarHBondContact O-N 2.94Å; L262-Q264 VanDerWaalsContact C-N 3.26Å; L262-Q264 PolarHBondContact O-N 2.91Å
263D72Confident83.3Confident52 Ų5256.9 Ų56.928%0.27829%0.286SS..G310 helixtrans-72-20.4177.6-64.2-29000113.2R252 P261 P591R252-D263 WeakPolarHBondContact CD-OD1 3.39Å; R252-D263 IonicContact NE-OD1 2.68Å; R252-D263 PolarHBondContact NE-OD1 3Å; P261-D263 PolarHBondContact O-N 2.83Å; P261-D263 VanDerWaalsContact O-N 3.12Å; D263-P591 HydrophobicContact CB-CB 4.27Å; D263-P591 HydrophobicContact CB-CG 3.66Å
264Q79.3Confident84.3Confident68 Ų6860 Ų6032%0.31828%0.282SS..G310 helixtrans-105.422.8-178.9-63.3-174.87.900111.9K193 P261 L262 I266 L267 L268K193-Q264 VanDerWaalsContact CD-OE1 3.27Å; K193-Q264 VanDerWaalsContact CE-OE1 3.29Å; P261-Q264 PolarHBondContact O-N 2.93Å; L262-Q264 VanDerWaalsContact C-N 3.26Å; L262-Q264 PolarHBondContact O-N 2.91Å; Q264-I266 VanDerWaalsContact C-N 3.27Å; Q264-I266 PolarHBondContact O-N 2.67Å; Q264-L267 HydrophobicContact CB-CB 4.23Å; Q264-L267 HydrophobicContact CB-CD2 4.47Å; Q264-L267 WeakPolarHBondContact O-CB 3Å; Q264-L267 PolarHBondContact O-N 3.21Å; Q264-L268 WeakPolarHBondContact O-CG 3.48Å; Q264-L268 PolarHBondContact O-N 3.49Å
265N86.8Confident85Confident11 Ų1159 Ų596%0.05928%0.279CS..Hα-helixtrans-55.2-38.4-176.970.2-25.1000113.4L242 L248 L268 H269L242-N265 WeakPolarHBondContact O-CB 3.49Å; L242-N265 PolarHBondContact O-ND2 2.95Å; L242-N265 VanDerWaalsContact O-ND2 3.07Å; L248-N265 HydrophobicContact CD1-CB 3.84Å; L248-N265 VanDerWaalsContact CD1-ND2 3.25Å; L248-N265 WeakPolarHBondContact CD1-ND2 3.45Å; N265-L268 PolarHBondContact O-N 3.21Å; N265-H269 WeakPolarHBondContact O-CB 3.46Å; N265-H269 PolarHBondContact O-N 3.01Å
266I87.1Confident85.9Confident71 Ų7150.9 Ų50.936%0.36425%0.249SC..Hα-helixtrans-69-40.8176.2-64167.3000111.1M243 Q264 H269 Q270M243-I266 HydrophobicContact CE-CG1 4.25Å; Q264-I266 VanDerWaalsContact C-N 3.27Å; Q264-I266 PolarHBondContact O-N 2.67Å; I266-H269 WeakPolarHBondContact O-CB 3.3Å; I266-H269 PolarHBondContact O-N 2.87Å; I266-Q270 WeakPolarHBondContact O-CG 3.4Å; I266-Q270 PolarHBondContact O-N 3.31Å
267L86.6Confident86.7Confident65 Ų6551.2 Ų51.234%0.3425%0.249SC..Hα-helixtrans-64.7-43.4175.7-178.572.9000110.6Q264 H269 Q270 I271Q264-L267 HydrophobicContact CB-CB 4.23Å; Q264-L267 HydrophobicContact CB-CD2 4.47Å; Q264-L267 WeakPolarHBondContact O-CB 3Å; Q264-L267 PolarHBondContact O-N 3.21Å; L267-H269 VanDerWaalsContact C-N 3.32Å; L267-H269 PolarHBondContact O-N 3.15Å; L267-Q270 WeakPolarHBondContact O-CB 3.14Å; L267-Q270 PolarHBondContact O-N 2.86Å; L267-I271 HydrophobicContact CG-CD1 4.33Å; L267-I271 WeakPolarHBondContact O-CG1 3.22Å; L267-I271 PolarHBondContact O-N 3.38Å
268L90.6Very high87.7Confident11 Ų1156 Ų566%0.05827%0.268CS..Hα-helixtrans-62.4-40.2174.7-69.5174.1000111.1F196 L242 P261 Q264 N265 Q270 I271 V272F196-L268 HydrophobicContact CD1-CD1 4.06Å; F196-L268 HydrophobicContact CD1-CD2 3.94Å; F196-L268 HydrophobicContact CE1-CD1 3.54Å; F196-L268 HydrophobicContact CE1-CD2 3.7Å; F196-L268 HydrophobicContact CE1-CG 4.24Å; F196-L268 HydrophobicContact CZ-CD1 4.13Å; L242-L268 HydrophobicContact CD1-CB 3.86Å; L242-L268 HydrophobicContact CD2-CB 4.14Å; L242-L268 HydrophobicContact CD2-CD1 4.31Å; P261-L268 HydrophobicContact CG-CD1 4.34Å; Q264-L268 WeakPolarHBondContact O-CG 3.48Å; Q264-L268 PolarHBondContact O-N 3.49Å; N265-L268 PolarHBondContact O-N 3.21Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 2.9Å; L268-I271 HydrophobicContact CD2-CD1 4.46Å; L268-I271 PolarHBondContact O-N 3.44Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.44Å; L268-V272 PolarHBondContact O-N 3.45Å
269H93.4Very high89Confident29 Ų2948.2 Ų48.213%0.13424%0.24CC..Hα-helixtrans-60.5-39.9175.5171.3101000111.6V239 L242 M243 N265 I266 L267 G273 H355V239-H269 VanDerWaalsContact CG2-CE1 3.45Å; V239-H269 WeakPolarHBondContact CG2-CE1 3.21Å; V239-H269 VanDerWaalsContact CG2-ND1 3.25Å; V239-H269 WeakPolarHBondContact CG2-ND1 3.1Å; V239-H269 PolarHBondContact O-ND1 3.36Å; V239-H269 VanDerWaalsContact O-ND1 3.14Å; L242-H269 HydrophobicContact CB-CB 4.24Å; L242-H269 HydrophobicContact CD1-CB 4.3Å; M243-H269 HydrophobicContact CE-CB 3.5Å; M243-H269 VanDerWaalsContact CE-CB 3.5Å; M243-H269 VanDerWaalsContact CE-CD2 3.42Å; M243-H269 WeakPolarHBondContact CE-CD2 3.44Å; M243-H269 WeakPolarHBondContact CE-ND1 3.28Å; M243-H269 WeakPolarHBondContact CG-ND1 3.34Å; N265-H269 WeakPolarHBondContact O-CB 3.46Å; N265-H269 PolarHBondContact O-N 3.01Å; I266-H269 WeakPolarHBondContact O-CB 3.3Å; I266-H269 PolarHBondContact O-N 2.87Å; L267-H269 VanDerWaalsContact C-N 3.32Å; L267-H269 PolarHBondContact O-N 3.15Å; H269-G273 PolarHBondContact O-N 3.34Å; H269-H355 AromaticContact NE2-CE1 3.76Å; H269-H355 AromaticContact NE2-NE2 3.85Å
270Q92.9Very high89.9Confident84 Ų8444.4 Ų44.439%0.39322%0.221SC..Hα-helixtrans-63.2-46.6173.6-68.8170.9-10.800111.7I266 L267 L268 V272 G273 Y274I266-Q270 WeakPolarHBondContact O-CG 3.4Å; I266-Q270 PolarHBondContact O-N 3.31Å; L267-Q270 WeakPolarHBondContact O-CB 3.14Å; L267-Q270 PolarHBondContact O-N 2.86Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 2.9Å; Q270-V272 PolarHBondContact O-N 3.31Å; Q270-G273 PolarHBondContact O-N 2.84Å; Q270-Y274 WeakPolarHBondContact O-CD2 3.39Å; Q270-Y274 PolarHBondContact O-N 2.97Å
271I93.6Very high90.8Very high58 Ų5845.9 Ų45.930%0.29723%0.229SC..Hα-helixtrans-59.6-47.2177.6-67.1167000110.7L197 L267 L268 G273 Y274 A275L197-I271 HydrophobicContact CD1-CG2 4.46Å; L267-I271 HydrophobicContact CG-CD1 4.33Å; L267-I271 WeakPolarHBondContact O-CG1 3.22Å; L267-I271 PolarHBondContact O-N 3.38Å; L268-I271 HydrophobicContact CD2-CD1 4.46Å; L268-I271 PolarHBondContact O-N 3.44Å; I271-G273 VanDerWaalsContact C-N 3.32Å; I271-G273 PolarHBondContact O-N 3.3Å; I271-Y274 PolarHBondContact O-N 3.33Å; I271-A275 PolarHBondContact O-N 3.15Å
272V95.9Very high91.6Very high3 Ų347 Ų472%0.01824%0.235CC..Hα-helixtrans-64.5-37.7177.2177.20000110.8Y200 N235 F238 V239 L242 L268 Q270 Y274 A275 I276Y200-V272 HydrophobicContact CE2-CG2 3.99Å; N235-V272 HydrophobicContact CB-CG1 4.06Å; F238-V272 HydrophobicContact CD1-CG2 3.86Å; F238-V272 HydrophobicContact CE1-CG2 4.09Å; V239-V272 HydrophobicContact CB-CG1 3.8Å; V239-V272 HydrophobicContact CG2-CG1 4.26Å; L242-V272 HydrophobicContact CD1-CB 4.44Å; L242-V272 HydrophobicContact CD1-CG2 3.86Å; L268-V272 VanDerWaalsContact O-CG2 3.28Å; L268-V272 WeakPolarHBondContact O-CG2 3.44Å; L268-V272 PolarHBondContact O-N 3.45Å; Q270-V272 PolarHBondContact O-N 3.31Å; V272-Y274 PolarHBondContact O-N 2.97Å; V272-A275 WeakPolarHBondContact O-CB 3.18Å; V272-A275 PolarHBondContact O-N 3.29Å; V272-I276 HydrophobicContact CG1-CD1 4.14Å; V272-I276 HydrophobicContact CG1-CG1 4.41Å; V272-I276 VanDerWaalsContact O-CG1 3.31Å; V272-I276 WeakPolarHBondContact O-CG1 3.42Å; V272-I276 PolarHBondContact O-N 2.9Å
273G95.4Very high92.3Very high18 Ų1847.3 Ų47.319%0.18624%0.236CC..Hα-helixtrans-59.1-43.917400000112.9H269 Q270 I271 I276 L277H269-G273 PolarHBondContact O-N 3.34Å; Q270-G273 PolarHBondContact O-N 2.84Å; I271-G273 VanDerWaalsContact C-N 3.32Å; I271-G273 PolarHBondContact O-N 3.3Å; G273-I276 PolarHBondContact O-N 2.99Å; G273-L277 PolarHBondContact O-N 2.92Å; G273-L277 VanDerWaalsContact O-N 3.08Å
274Y95.4Very high93.4Very high140 Ų14046.4 Ų46.455%0.54923%0.232SC..Hα-helixtrans-67.3-37173.2-69.2-60.5000112.6Q270 I271 V272 L277 F278 V335Q270-Y274 WeakPolarHBondContact O-CD2 3.39Å; Q270-Y274 PolarHBondContact O-N 2.97Å; I271-Y274 PolarHBondContact O-N 3.33Å; V272-Y274 PolarHBondContact O-N 2.97Å; Y274-L277 PolarHBondContact O-N 3.5Å; Y274-F278 PolarHBondContact O-N 2.96Å; Y274-V335 HydrophobicContact CD1-CG1 4.37Å; Y274-V335 HydrophobicContact CE1-CG1 4.15Å
275A96.5Very high94.2Very high19 Ų1945.4 Ų45.416%0.15724%0.236CC..Hα-helixtrans-63.5-40.7174.300000111.9Y200 I271 V272 F278 F279Y200-A275 WeakPolarHBondContact OH-CB 3.23Å; I271-A275 PolarHBondContact O-N 3.15Å; V272-A275 WeakPolarHBondContact O-CB 3.18Å; V272-A275 PolarHBondContact O-N 3.29Å; A275-F278 PolarHBondContact O-N 2.79Å; A275-F279 WeakPolarHBondContact O-CD2 3.21Å; A275-F279 PolarHBondContact O-N 3.46Å
276I96.9Very high94.6Very high14 Ų1444.9 Ų44.97%0.07223%0.233CC..Hα-helixtrans-58.4-51.2173-69.2165.9000109.5L232 N235 V239 V272 G273 F278 F279 T280 I331L232-I276 HydrophobicContact CD2-CG2 4.14Å; N235-I276 HydrophobicContact CB-CD1 4.34Å; N235-I276 HydrophobicContact CB-CG1 3.68Å; V239-I276 HydrophobicContact CB-CD1 3.95Å; V239-I276 HydrophobicContact CG1-CD1 3.87Å; V239-I276 HydrophobicContact CG2-CD1 4.28Å; V272-I276 HydrophobicContact CG1-CD1 4.14Å; V272-I276 HydrophobicContact CG1-CG1 4.41Å; V272-I276 VanDerWaalsContact O-CG1 3.31Å; V272-I276 WeakPolarHBondContact O-CG1 3.42Å; V272-I276 PolarHBondContact O-N 2.9Å; G273-I276 PolarHBondContact O-N 2.99Å; I276-F278 VanDerWaalsContact C-N 3.32Å; I276-F278 PolarHBondContact O-N 3.16Å; I276-F279 PolarHBondContact O-N 3.25Å; I276-T280 VanDerWaalsContact O-CB 3.26Å; I276-T280 WeakPolarHBondContact O-CB 3.44Å; I276-T280 PolarHBondContact O-N 3.37Å; I276-T280 PolarHBondContact O-OG1 3.28Å; I276-I331 HydrophobicContact CG2-CD1 4.4Å; I276-I331 HydrophobicContact CG2-CG2 4.29Å
277L96.5Very high94.8Very high36 Ų3643.3 Ų43.319%0.18822%0.224CC..Hα-helixtrans-56.1-47.3178.5-18064000111.8G273 Y274 T280 L281 I331 V335G273-L277 PolarHBondContact O-N 2.92Å; G273-L277 VanDerWaalsContact O-N 3.08Å; Y274-L277 PolarHBondContact O-N 3.5Å; L277-T280 PolarHBondContact O-N 3.15Å; L277-L281 HydrophobicContact CD1-CD1 4.26Å; L277-L281 HydrophobicContact CD1-CG 4.33Å; L277-L281 HydrophobicContact CG-CD1 4.18Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.34Å; L277-L281 PolarHBondContact O-N 3.12Å; L277-I331 HydrophobicContact CD1-CG2 4.36Å; L277-V335 HydrophobicContact CB-CG2 4.47Å; L277-V335 HydrophobicContact CD2-CB 4.4Å; L277-V335 HydrophobicContact CD2-CG1 3.92Å
278F96.9Very high95.1Very high125 Ų12543.4 Ų43.455%0.54822%0.224SC..Hα-helixtrans-58.8-53.3177.7173.1-100.4000112Y274 A275 I276 T280 L281 V282Y274-F278 PolarHBondContact O-N 2.96Å; A275-F278 PolarHBondContact O-N 2.79Å; I276-F278 VanDerWaalsContact C-N 3.32Å; I276-F278 PolarHBondContact O-N 3.16Å; F278-T280 VanDerWaalsContact C-N 3.3Å; F278-T280 PolarHBondContact O-N 3.02Å; F278-L281 PolarHBondContact O-N 2.95Å; F278-V282 HydrophobicContact CD2-CG2 4.41Å; F278-V282 HydrophobicContact CE1-CG2 4.31Å; F278-V282 HydrophobicContact CE2-CG2 4Å; F278-V282 HydrophobicContact CZ-CG2 3.95Å; F278-V282 WeakPolarHBondContact O-CG2 3.3Å; F278-V282 PolarHBondContact O-N 3.44Å; F278-V282 VanDerWaalsContact O-N 3.08Å
279F97.3Very high95.2Very high29 Ų2945.6 Ų45.613%0.12724%0.236CC..Hα-helixtrans-65-34.7-179.6-75-59.7000112.4C228 C231 L232 A275 I276 H283C228-F279 HydrophobicContact CB-CD1 4.32Å; C231-F279 HydrophobicContact CB-CD1 4.01Å; C231-F279 HydrophobicContact CB-CD2 3.9Å; C231-F279 HydrophobicContact CB-CE1 3.91Å; C231-F279 HydrophobicContact CB-CE2 3.8Å; C231-F279 HydrophobicContact CB-CG 4.02Å; C231-F279 HydrophobicContact CB-CZ 3.81Å; L232-F279 HydrophobicContact CD1-CB 4.38Å; L232-F279 HydrophobicContact CD2-CB 3.69Å; L232-F279 HydrophobicContact CG-CB 3.77Å; A275-F279 WeakPolarHBondContact O-CD2 3.21Å; A275-F279 PolarHBondContact O-N 3.46Å; I276-F279 PolarHBondContact O-N 3.25Å; F279-H283 WeakPolarHBondContact O-CB 3.48Å; F279-H283 PolarHBondContact O-N 2.97Å
280T96.4Very high95.1Very high11 Ų1145.2 Ų45.27%0.06723%0.234CC..Hα-helixtrans-64-46175.9-65.60000110.8L232 I276 L277 F278 H283 T284 Q328 I331L232-T280 VanDerWaalsContact CD2-OG1 3.27Å; L232-T280 WeakPolarHBondContact CD2-OG1 3.13Å; I276-T280 VanDerWaalsContact O-CB 3.26Å; I276-T280 WeakPolarHBondContact O-CB 3.44Å; I276-T280 PolarHBondContact O-N 3.37Å; I276-T280 PolarHBondContact O-OG1 3.28Å; L277-T280 PolarHBondContact O-N 3.15Å; F278-T280 VanDerWaalsContact C-N 3.3Å; F278-T280 PolarHBondContact O-N 3.02Å; T280-H283 PolarHBondContact O-N 2.78Å; T280-T284 WeakPolarHBondContact O-CB 3.48Å; T280-T284 PolarHBondContact O-N 2.89Å; T280-T284 PolarHBondContact O-OG1 3.31Å; T280-Q328 PolarHBondContact O-OE1 3.05Å; T280-I331 HydrophobicContact CG2-CD1 4.23Å
281L96.7Very high95Very high88 Ų8841.8 Ų41.846%0.46122%0.218SC..Hα-helixtrans-61.8-46.7177.2-70.1171.4000112.2L277 F278 T284 A285L277-L281 HydrophobicContact CD1-CD1 4.26Å; L277-L281 HydrophobicContact CD1-CG 4.33Å; L277-L281 HydrophobicContact CG-CD1 4.18Å; L277-L281 VanDerWaalsContact O-CG 3.3Å; L277-L281 WeakPolarHBondContact O-CG 3.34Å; L277-L281 PolarHBondContact O-N 3.12Å; F278-L281 PolarHBondContact O-N 2.95Å; L281-T284 PolarHBondContact O-N 2.84Å; L281-A285 WeakPolarHBondContact O-CB 3.36Å; L281-A285 PolarHBondContact O-N 2.85Å
282V96.9Very high94.8Very high39 Ų3940.6 Ų40.624%0.23622%0.217CC..Hα-helixtrans-66.4-41.1179-179.90000111.2L224 C228 F278 A285 A286L224-V282 HydrophobicContact CD1-CG1 4.05Å; L224-V282 HydrophobicContact CD2-CG1 4.15Å; L224-V282 HydrophobicContact CG-CG1 4.14Å; C228-V282 VanDerWaalsContact SG-CG1 3.53Å; F278-V282 HydrophobicContact CD2-CG2 4.41Å; F278-V282 HydrophobicContact CE1-CG2 4.31Å; F278-V282 HydrophobicContact CE2-CG2 4Å; F278-V282 HydrophobicContact CZ-CG2 3.95Å; F278-V282 WeakPolarHBondContact O-CG2 3.3Å; F278-V282 PolarHBondContact O-N 3.44Å; F278-V282 VanDerWaalsContact O-N 3.08Å; V282-A285 PolarHBondContact O-N 3.48Å; V282-A286 VanDerWaalsContact O-CB 3.29Å; V282-A286 WeakPolarHBondContact O-CB 3.36Å; V282-A286 PolarHBondContact O-N 2.94Å
283H95.7Very high94.5Very high23 Ų2347.2 Ų47.211%0.10624%0.242CC..Hα-helixtrans-60.3-48.8176.5177.875.3000111.8A225 C228 L232 F279 T280 A286 H287A225-H283 PolarHBondContact O-CE1 3.26Å; A225-H283 PolarHBondContact O-ND1 3.49Å; C228-H283 HydrophobicContact CB-CB 3.74Å; L232-H283 HydrophobicContact CD1-CB 3.92Å; F279-H283 WeakPolarHBondContact O-CB 3.48Å; F279-H283 PolarHBondContact O-N 2.97Å; T280-H283 PolarHBondContact O-N 2.78Å; H283-A286 PolarHBondContact O-N 2.82Å; H283-H287 AromaticContact CD2-CD2 3.88Å; H283-H287 AromaticContact CE1-CD2 3.26Å; H283-H287 PolarHBondContact CE1-CD2 3.3Å; H283-H287 AromaticContact CE1-NE2 3.15Å; H283-H287 PolarHBondContact CE1-NE2 2.82Å; H283-H287 AromaticContact ND1-CD2 3.72Å; H283-H287 AromaticContact ND1-NE2 3.87Å; H283-H287 AromaticContact NE2-CD2 3.36Å; H283-H287 PolarHBondContact NE2-CD2 3.18Å; H283-H287 AromaticContact NE2-NE2 3.57Å; H283-H287 PolarHBondContact O-CD2 3.08Å; H283-H287 PolarHBondContact O-N 3.39Å
284T94.6Very high94Very high32 Ų3250.8 Ų50.820%0.19625%0.252CS..Hα-helixtrans-63.4-46.5178.7-58.80000111T280 L281 A286 H287 I288 Q328T280-T284 WeakPolarHBondContact O-CB 3.48Å; T280-T284 PolarHBondContact O-N 2.89Å; T280-T284 PolarHBondContact O-OG1 3.31Å; L281-T284 PolarHBondContact O-N 2.84Å; T284-A286 PolarHBondContact O-N 2.93Å; T284-H287 PolarHBondContact O-N 2.77Å; T284-I288 HydrophobicContact CG2-CD1 3.85Å; T284-I288 HydrophobicContact CG2-CG1 4.42Å; T284-I288 VanDerWaalsContact O-CG1 3.31Å; T284-I288 WeakPolarHBondContact O-CG1 3.39Å; T284-I288 PolarHBondContact O-N 2.87Å; T284-Q328 PolarHBondContact OG1-OE1 3.21Å
285A95.4Very high93.6Very high47 Ų4745.6 Ų45.639%0.38824%0.237SC..Hα-helixtrans-59.9-44.3177.600000112.1L281 V282 H287 I288 I289L281-A285 WeakPolarHBondContact O-CB 3.36Å; L281-A285 PolarHBondContact O-N 2.85Å; V282-A285 PolarHBondContact O-N 3.48Å; A285-H287 VanDerWaalsContact C-N 3.34Å; A285-H287 PolarHBondContact O-N 2.95Å; A285-I288 PolarHBondContact O-N 2.88Å; A285-I289 WeakPolarHBondContact O-CG1 3.23Å; A285-I289 PolarHBondContact O-N 2.76Å
286A95.1Very high93.1Very high1 Ų152.9 Ų52.91%0.00827%0.267CS..Hα-helixtrans-63.1-39.1177.200000112.2L224 A225 V282 H283 T284 N290L224-A286 HydrophobicContact CB-CB 4.36Å; L224-A286 HydrophobicContact CD2-CB 4.12Å; L224-A286 HydrophobicContact CG-CB 4.11Å; A225-A286 HydrophobicContact CB-CB 3.85Å; V282-A286 VanDerWaalsContact O-CB 3.29Å; V282-A286 WeakPolarHBondContact O-CB 3.36Å; V282-A286 PolarHBondContact O-N 2.94Å; H283-A286 PolarHBondContact O-N 2.82Å; T284-A286 PolarHBondContact O-N 2.93Å; A286-N290 VanDerWaalsContact O-CB 3.32Å; A286-N290 WeakPolarHBondContact O-CB 3.4Å; A286-N290 PolarHBondContact O-N 2.95Å
287H92.7Very high92.3Very high37 Ų3757.2 Ų57.217%0.17130%0.299CS..Hα-helixtrans-67.3-41.7173.6-88.6-64.8000113.1H283 T284 A285 I289 N290 F291H283-H287 AromaticContact CD2-CD2 3.88Å; H283-H287 AromaticContact CE1-CD2 3.26Å; H283-H287 PolarHBondContact CE1-CD2 3.3Å; H283-H287 AromaticContact CE1-NE2 3.15Å; H283-H287 PolarHBondContact CE1-NE2 2.82Å; H283-H287 AromaticContact ND1-CD2 3.72Å; H283-H287 AromaticContact ND1-NE2 3.87Å; H283-H287 AromaticContact NE2-CD2 3.36Å; H283-H287 PolarHBondContact NE2-CD2 3.18Å; H283-H287 AromaticContact NE2-NE2 3.57Å; H283-H287 PolarHBondContact O-CD2 3.08Å; H283-H287 PolarHBondContact O-N 3.39Å; T284-H287 PolarHBondContact O-N 2.77Å; A285-H287 VanDerWaalsContact C-N 3.34Å; A285-H287 PolarHBondContact O-N 2.95Å; H287-I289 PolarHBondContact O-N 2.8Å; H287-N290 PolarHBondContact O-N 2.86Å; H287-F291 HydrophobicContact CB-CE2 4.27Å; H287-F291 HydrophobicContact CB-CZ 4.46Å; H287-F291 AromaticContact ND1-CZ 3.96Å; H287-F291 WeakPolarHBondContact O-CB 3.46Å; H287-F291 WeakPolarHBondContact O-CD2 3.43Å; H287-F291 WeakPolarHBondContact O-CG 3.39Å; H287-F291 PolarHBondContact O-N 2.82Å
288I93Very high91.3Very high67 Ų6757.2 Ų57.234%0.34431%0.307SS..Hα-helixtrans-59.4-47.5175.7-70.3165.9000110.4T284 A285 N290 F291 A292 L306T284-I288 HydrophobicContact CG2-CD1 3.85Å; T284-I288 HydrophobicContact CG2-CG1 4.42Å; T284-I288 VanDerWaalsContact O-CG1 3.31Å; T284-I288 WeakPolarHBondContact O-CG1 3.39Å; T284-I288 PolarHBondContact O-N 2.87Å; A285-I288 PolarHBondContact O-N 2.88Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 2.92Å; I288-F291 PolarHBondContact O-N 2.94Å; I288-A292 WeakPolarHBondContact O-CB 3.48Å; I288-A292 PolarHBondContact O-N 2.86Å; I288-L306 HydrophobicContact CG1-CD2 4.03Å
289I92.6Very high90.5Very high58 Ų5855.2 Ų55.230%0.29732%0.322SS..Hα-helixtrans-63.3-40.8178.2-64.5165.8000110.7W221 A285 H287 A292 R293W221-I289 HydrophobicContact CD2-CB 4.31Å; W221-I289 HydrophobicContact CD2-CD1 4.16Å; W221-I289 HydrophobicContact CD2-CG2 3.81Å; W221-I289 HydrophobicContact CE3-CD1 3.85Å; W221-I289 HydrophobicContact CG-CB 4.38Å; W221-I289 HydrophobicContact CG-CG2 3.77Å; W221-I289 HydrophobicContact CH2-CD1 3.88Å; W221-I289 HydrophobicContact CZ2-CD1 4.17Å; W221-I289 HydrophobicContact CZ2-CG2 4.45Å; W221-I289 HydrophobicContact CZ3-CD1 3.71Å; A285-I289 WeakPolarHBondContact O-CG1 3.23Å; A285-I289 PolarHBondContact O-N 2.76Å; H287-I289 PolarHBondContact O-N 2.8Å; I289-A292 PolarHBondContact O-N 3.48Å; I289-R293 WeakPolarHBondContact O-CG 3.41Å; I289-R293 PolarHBondContact O-N 3.47Å
290N90.6Very high89.9Confident20 Ų2057.4 Ų57.411%0.10733%0.332CS..Hα-helixtrans-63.7-41.3176.6-171.641.2000112.1A286 H287 I288 R293 K294A286-N290 VanDerWaalsContact O-CB 3.32Å; A286-N290 WeakPolarHBondContact O-CB 3.4Å; A286-N290 PolarHBondContact O-N 2.95Å; H287-N290 PolarHBondContact O-N 2.86Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 2.92Å; N290-R293 PolarHBondContact O-N 2.84Å; N290-K294 WeakPolarHBondContact O-CB 3.4Å; N290-K294 WeakPolarHBondContact O-CG 3.48Å; N290-K294 PolarHBondContact O-N 3.31Å
291F90.1Very high89.5Confident12 Ų1259.3 Ų59.35%0.05335%0.345CS..Hα-helixtrans-69.7-37176.2-63.2-22.9000112.3H287 I288 R293 K294 S295 L302 Y305 L306 I313H287-F291 HydrophobicContact CB-CE2 4.27Å; H287-F291 HydrophobicContact CB-CZ 4.46Å; H287-F291 AromaticContact ND1-CZ 3.96Å; H287-F291 WeakPolarHBondContact O-CB 3.46Å; H287-F291 WeakPolarHBondContact O-CD2 3.43Å; H287-F291 WeakPolarHBondContact O-CG 3.39Å; H287-F291 PolarHBondContact O-N 2.82Å; I288-F291 PolarHBondContact O-N 2.94Å; F291-R293 VanDerWaalsContact C-N 3.34Å; F291-R293 PolarHBondContact O-N 2.9Å; F291-K294 PolarHBondContact O-N 2.68Å; F291-S295 VanDerWaalsContact O-CB 3.27Å; F291-S295 WeakPolarHBondContact O-CB 3.38Å; F291-S295 PolarHBondContact O-N 2.87Å; F291-L302 HydrophobicContact CB-CD1 3.87Å; F291-Y305 HydrophobicContact CB-CG 4.32Å; F291-Y305 HydrophobicContact CD1-CD1 4.42Å; F291-Y305 HydrophobicContact CG-CG 4.44Å; F291-L306 HydrophobicContact CD2-CD2 4.09Å; F291-L306 HydrophobicContact CE2-CD2 4.5Å; F291-I313 HydrophobicContact CD1-CD1 4.35Å; F291-I313 HydrophobicContact CE1-CD1 3.67Å; F291-I313 HydrophobicContact CZ-CD1 4.07Å
292A90.3Very high89Confident34 Ų3457.6 Ų57.628%0.28134%0.336SS..Hα-helixtrans-60.4-44.7173.500000111.3I288 I289 S295 Q296 L302I288-A292 WeakPolarHBondContact O-CB 3.48Å; I288-A292 PolarHBondContact O-N 2.86Å; I289-A292 PolarHBondContact O-N 3.48Å; A292-S295 PolarHBondContact O-N 2.93Å; A292-Q296 WeakPolarHBondContact O-CG 3.4Å; A292-Q296 PolarHBondContact O-N 3.35Å; A292-L302 HydrophobicContact CB-CD1 4.21Å
293R88.5Confident88.4Confident141 Ų14164.4 Ų64.453%0.53236%0.358SS..Hα-helixtrans-64.1-43.4174.6-71.3-178.8178.5-162.8-3.2112.5W221 I289 N290 F291 S295 Q296 S297W221-R293 VanDerWaalsContact CD1-NH1 3.34Å; I289-R293 WeakPolarHBondContact O-CG 3.41Å; I289-R293 PolarHBondContact O-N 3.47Å; N290-R293 PolarHBondContact O-N 2.84Å; F291-R293 VanDerWaalsContact C-N 3.34Å; F291-R293 PolarHBondContact O-N 2.9Å; R293-S295 VanDerWaalsContact C-N 3.3Å; R293-S295 PolarHBondContact O-N 2.84Å; R293-Q296 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-N 3.37Å; R293-S297 PolarHBondContact O-OG 3.33Å
294K85.4Confident87.9Confident94 Ų9465.5 Ų65.541%0.40936%0.363SS..Hα-helixtrans-67.1-29.4176.4-78.7-171.1174.1-166.10113.6N290 F291 S297 G298 Y305N290-K294 WeakPolarHBondContact O-CB 3.4Å; N290-K294 WeakPolarHBondContact O-CG 3.48Å; N290-K294 PolarHBondContact O-N 3.31Å; F291-K294 PolarHBondContact O-N 2.68Å; K294-S297 CarbonylContact O-C 3.59Å; K294-S297 PolarHBondContact O-N 2.88Å; K294-S297 PolarHBondContact O-OG 2.86Å; K294-G298 WeakPolarHBondContact O-CA 2.91Å; K294-G298 PolarHBondContact O-N 3.3Å; K294-Y305 HydrophobicContact CB-CE2 4.49Å
295S87.9Confident87.4Confident31 Ų3165.1 Ų65.122%0.21736%0.358CS..Hα-helixtrans-71.9-33.3176.4-174.70000111.5F291 A292 R293 S297 F300 S301 L302F291-S295 VanDerWaalsContact O-CB 3.27Å; F291-S295 WeakPolarHBondContact O-CB 3.38Å; F291-S295 PolarHBondContact O-N 2.87Å; A292-S295 PolarHBondContact O-N 2.93Å; R293-S295 VanDerWaalsContact C-N 3.3Å; R293-S295 PolarHBondContact O-N 2.84Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 PolarHBondContact O-N 2.81Å; S295-F300 WeakPolarHBondContact CA-O 3.42Å; S295-F300 WeakPolarHBondContact CB-O 3.49Å; S295-F300 PolarHBondContact OG-O 2.98Å; S295-S301 WeakPolarHBondContact OG-CA 3.1Å; S295-L302 PolarHBondContact OG-N 2.8Å; S295-L302 VanDerWaalsContact OG-N 3.14Å
296Q86Confident86.9Confident171 Ų17164.1 Ų64.180%0.79935%0.346SS*.Hα-helixtrans-65.8-29.8172.3-70173.5-8.700112.9A292 R293A292-Q296 WeakPolarHBondContact O-CG 3.4Å; A292-Q296 PolarHBondContact O-N 3.35Å; R293-Q296 PolarHBondContact O-N 3.4Å
297S79.7Confident86.5Confident105 Ų10568.4 Ų68.473%0.73437%0.368SS*.THydrogen-bonded Turntrans-107.21.9-17768.90000114.6R293 K294 S295R293-S297 PolarHBondContact O-N 3.37Å; R293-S297 PolarHBondContact O-OG 3.33Å; K294-S297 CarbonylContact O-C 3.59Å; K294-S297 PolarHBondContact O-N 2.88Å; K294-S297 PolarHBondContact O-OG 2.86Å; S295-S297 VanDerWaalsContact C-N 3.27Å; S295-S297 PolarHBondContact O-N 2.81Å
298G75.3Confident86.1Confident36 Ų3669 Ų6937%0.37138%0.375SS..SBendtrans-135.5162.3-168.900000112.6K294 F300K294-G298 WeakPolarHBondContact O-CA 2.91Å; K294-G298 PolarHBondContact O-N 3.3Å; G298-F300 PolarHBondContact O-N 2.82Å; G298-F300 VanDerWaalsContact O-N 3.1Å
299G80.6Confident85.6Confident83 Ų8369 Ų6986%0.85638%0.378SS*.SBendtrans-76.512.2-174.500000116.5
300F85.2Confident85Confident76 Ų7674.5 Ų74.533%0.33340%0.395SS..SBendtrans-124.8142.3-178.2-62.2-71.7000111.1S295 G298 E304 Y305 R310 P311S295-F300 WeakPolarHBondContact CA-O 3.42Å; S295-F300 WeakPolarHBondContact CB-O 3.49Å; S295-F300 PolarHBondContact OG-O 2.98Å; G298-F300 PolarHBondContact O-N 2.82Å; G298-F300 VanDerWaalsContact O-N 3.1Å; F300-E304 HydrophobicContact CB-CB 4.28Å; F300-Y305 HydrophobicContact CB-CD2 4.09Å; F300-Y305 HydrophobicContact CB-CE2 3.61Å; F300-Y305 WeakPolarHBondContact O-CE2 3.37Å; F300-R310 HydrophobicContact CE1-CB 4.33Å; F300-P311 HydrophobicContact CG-CG 4.49Å
301S87.4Confident84.4Confident50 Ų5074.9 Ų74.935%0.3540%0.399SS..  trans-72.6159.9175.365.10000112.4S295 W303 E304 Y305S295-S301 WeakPolarHBondContact OG-CA 3.1Å; S301-W303 VanDerWaalsContact C-N 3.26Å; S301-W303 PolarHBondContact O-N 2.8Å; S301-E304 PolarHBondContact N-OE2 3.25Å; S301-E304 WeakPolarHBondContact O-CB 3.3Å; S301-E304 PolarHBondContact O-N 3.26Å; S301-E304 VanDerWaalsContact OG-CG 3.25Å; S301-E304 WeakPolarHBondContact OG-CG 3.38Å; S301-E304 PolarHBondContact OG-N 3.47Å; S301-E304 PolarHBondContact OG-OE2 3.32Å; S301-Y305 WeakPolarHBondContact O-CD2 3.41Å; S301-Y305 PolarHBondContact O-N 3.25Å; S301-Y305 VanDerWaalsContact O-N 3.08Å
302L85.8Confident83.8Confident52 Ų5276.6 Ų76.627%0.27242%0.42SS..Hα-helixtrans-57.1-40176.8179.865.7000112.4F291 A292 S295 E304 Y305 L306F291-L302 HydrophobicContact CB-CD1 3.87Å; A292-L302 HydrophobicContact CB-CD1 4.21Å; S295-L302 PolarHBondContact OG-N 2.8Å; S295-L302 VanDerWaalsContact OG-N 3.14Å; L302-E304 VanDerWaalsContact C-N 3.29Å; L302-E304 PolarHBondContact O-N 2.92Å; L302-Y305 WeakPolarHBondContact O-CB 3.37Å; L302-Y305 PolarHBondContact O-N 3.35Å; L302-L306 HydrophobicContact CD1-CD1 4.15Å; L302-L306 HydrophobicContact CG-CD1 3.95Å; L302-L306 PolarHBondContact O-N 3.28Å
303W85.1Confident83.3Confident183 Ų18377.3 Ų77.369%0.69342%0.419SS*.Hα-helixtrans-65.4-34.7177.1-61.7115.5000112S301 Y305 L306 L307S301-W303 VanDerWaalsContact C-N 3.26Å; S301-W303 PolarHBondContact O-N 2.8Å; W303-Y305 VanDerWaalsContact C-N 3.32Å; W303-L306 PolarHBondContact O-N 3.32Å; W303-L307 HydrophobicContact CE3-CD1 4.21Å; W303-L307 PolarHBondContact O-N 2.91Å
304E84.8Confident82.7Confident46 Ų4672.6 Ų72.622%0.21541%0.414CS..Hα-helixtrans-67.4-35174.1-74.9172.7126.700112.3F300 S301 L302 T308 R310F300-E304 HydrophobicContact CB-CB 4.28Å; S301-E304 PolarHBondContact N-OE2 3.25Å; S301-E304 WeakPolarHBondContact O-CB 3.3Å; S301-E304 PolarHBondContact O-N 3.26Å; S301-E304 VanDerWaalsContact OG-CG 3.25Å; S301-E304 WeakPolarHBondContact OG-CG 3.38Å; S301-E304 PolarHBondContact OG-N 3.47Å; S301-E304 PolarHBondContact OG-OE2 3.32Å; L302-E304 VanDerWaalsContact C-N 3.29Å; L302-E304 PolarHBondContact O-N 2.92Å; E304-T308 WeakPolarHBondContact CA-OG1 3.43Å; E304-T308 PolarHBondContact O-N 2.82Å; E304-T308 PolarHBondContact O-OG1 3.17Å; E304-R310 IonicContact OE1-NH1 3.27Å; E304-R310 PolarHBondContact OE1-NH1 2.86Å
305Y83.8Confident82.1Confident23 Ų2377.5 Ų77.59%0.0943%0.43CS..Hα-helixtrans-69.3-31.1172.7-80.3-68.7000114.4F291 K294 F300 S301 L302 W303 P311 I313 S321F291-Y305 HydrophobicContact CB-CG 4.32Å; F291-Y305 HydrophobicContact CD1-CD1 4.42Å; F291-Y305 HydrophobicContact CG-CG 4.44Å; K294-Y305 HydrophobicContact CB-CE2 4.49Å; F300-Y305 HydrophobicContact CB-CD2 4.09Å; F300-Y305 HydrophobicContact CB-CE2 3.61Å; F300-Y305 WeakPolarHBondContact O-CE2 3.37Å; S301-Y305 WeakPolarHBondContact O-CD2 3.41Å; S301-Y305 PolarHBondContact O-N 3.25Å; S301-Y305 VanDerWaalsContact O-N 3.08Å; L302-Y305 WeakPolarHBondContact O-CB 3.37Å; L302-Y305 PolarHBondContact O-N 3.35Å; W303-Y305 VanDerWaalsContact C-N 3.32Å; Y305-P311 HydrophobicContact CD1-CB 3.61Å; Y305-P311 HydrophobicContact CD1-CG 3.68Å; Y305-P311 HydrophobicContact CE1-CB 3.55Å; Y305-P311 HydrophobicContact CE1-CG 3.97Å; Y305-P311 HydrophobicContact CG-CG 4.27Å; Y305-I313 HydrophobicContact CD1-CD1 3.58Å; Y305-I313 HydrophobicContact CE1-CD1 3.84Å; Y305-S321 WeakPolarHBondContact O-CB 3.48Å; Y305-S321 PolarHBondContact O-OG 2.84Å
306L84.4Confident81.7Confident26 Ų2678.8 Ų78.814%0.13644%0.436CS..Hα-helixtrans-89.7-42.8-175.3-75.2167.7000113.4I288 F291 L302 W303 S321I288-L306 HydrophobicContact CG1-CD2 4.03Å; F291-L306 HydrophobicContact CD2-CD2 4.09Å; F291-L306 HydrophobicContact CE2-CD2 4.5Å; L302-L306 HydrophobicContact CD1-CD1 4.15Å; L302-L306 HydrophobicContact CG-CD1 3.95Å; L302-L306 PolarHBondContact O-N 3.28Å; W303-L306 PolarHBondContact O-N 3.32Å; L306-S321 CarbonylContact O-C 3.59Å; L306-S321 VanDerWaalsContact O-CB 3.32Å; L306-S321 WeakPolarHBondContact O-CB 3.45Å
307L86.6Confident81.3Confident91 Ų9179.8 Ų79.848%0.47644%0.438SS..Hα-helixtrans-113.5-7.4-166.7-62.5176.9000114.3W303W303-L307 HydrophobicContact CE3-CD1 4.21Å; W303-L307 PolarHBondContact O-N 2.91Å
308T84.2Confident81.4Confident50 Ų5075 Ų7531%0.30741%0.405SS..  trans-119.8158.9179.59.20000112.9E304 R310E304-T308 WeakPolarHBondContact CA-OG1 3.43Å; E304-T308 PolarHBondContact O-N 2.82Å; E304-T308 PolarHBondContact O-OG1 3.17Å; T308-R310 HydrophobicContact CG2-CG 4.44Å
309T83.3Confident81.9Confident67 Ų6774.7 Ų74.741%0.41140%0.396SS..SBendtrans-89.4-7177.9520000113.3P311 G312 T319T309-P311 VanDerWaalsContact C-CD 3.44Å; T309-P311 VanDerWaalsContact C-N 3.33Å; T309-G312 PolarHBondContact O-N 2.64Å; T309-T319 HydrophobicContact CG2-CG2 4.13Å
310R79.4Confident82.2Confident173 Ų17371.4 Ų71.465%0.65336%0.36SS*.THydrogen-bonded Turntrans-52.6-40.3-176.9-63.6-180173.3-173.5-5.1113.9F300 E304 T308 G312F300-R310 HydrophobicContact CE1-CB 4.33Å; E304-R310 IonicContact OE1-NH1 3.27Å; E304-R310 PolarHBondContact OE1-NH1 2.86Å; T308-R310 HydrophobicContact CG2-CG 4.44Å; R310-G312 PolarHBondContact O-N 2.95Å; R310-G312 VanDerWaalsContact O-N 3.12Å
311P77.9Confident82.3Confident29 Ų2968.3 Ų68.319%0.18835%0.349CS..THydrogen-bonded Turntrans-71.5-3.9-179.6-22.337.9000114.5F300 Y305 T309 I313F300-P311 HydrophobicContact CG-CG 4.49Å; Y305-P311 HydrophobicContact CD1-CB 3.61Å; Y305-P311 HydrophobicContact CD1-CG 3.68Å; Y305-P311 HydrophobicContact CE1-CB 3.55Å; Y305-P311 HydrophobicContact CE1-CG 3.97Å; Y305-P311 HydrophobicContact CG-CG 4.27Å; T309-P311 VanDerWaalsContact C-CD 3.44Å; T309-P311 VanDerWaalsContact C-N 3.33Å; P311-I313 HydrophobicContact CB-CD1 4.07Å; P311-I313 HydrophobicContact CB-CG1 4.06Å; P311-I313 PolarHBondContact O-N 3.26Å
312G78.9Confident82.5Confident48 Ų4869 Ų6950%0.49535%0.348SS..  trans66.318.8173.900000114.7T309 R310 G314 G318T309-G312 PolarHBondContact O-N 2.64Å; R310-G312 PolarHBondContact O-N 2.95Å; R310-G312 VanDerWaalsContact O-N 3.12Å; G312-G314 PolarHBondContact O-N 2.95Å; G312-G318 VanDerWaalsContact C-CA 3.45Å
313I79.4Confident82.8Confident49 Ų4967 Ų6725%0.25134%0.338SS..  trans-80.1117-175.9-57.3172.6000110.9F291 Y305 P311 G318 A320F291-I313 HydrophobicContact CD1-CD1 4.35Å; F291-I313 HydrophobicContact CE1-CD1 3.67Å; F291-I313 HydrophobicContact CZ-CD1 4.07Å; Y305-I313 HydrophobicContact CD1-CD1 3.58Å; Y305-I313 HydrophobicContact CE1-CD1 3.84Å; P311-I313 HydrophobicContact CB-CD1 4.07Å; P311-I313 HydrophobicContact CB-CG1 4.06Å; P311-I313 PolarHBondContact O-N 3.26Å; I313-G318 CarbonylContact O-C 3.47Å; I313-G318 WeakPolarHBondContact O-CA 3.18Å; I313-A320 HydrophobicContact CG2-CB 4.43Å; I313-A320 VanDerWaalsContact O-CB 3.23Å; I313-A320 WeakPolarHBondContact O-CB 3.41Å; I313-A320 PolarHBondContact O-N 3.03Å; I313-A320 VanDerWaalsContact O-N 3.15Å
314G75.6Confident83.1Confident42 Ų4259 Ų5943%0.43331%0.312SS..SBendtrans126172.7174.800000113.1G312G312-G314 PolarHBondContact O-N 2.95Å
315W73.1Confident83.5Confident196 Ų19659.1 Ų59.174%0.74232%0.316SS*.SBendtrans-73.8-41.7-178.4172.2-93.1000112.7A370W315-A370 HydrophobicContact CB-CB 3.76Å; W315-A370 HydrophobicContact CD2-CB 3.9Å; W315-A370 HydrophobicContact CE3-CB 3.77Å; W315-A370 HydrophobicContact CG-CB 3.92Å
316V79.4Confident84Confident59 Ų5961.3 Ų61.336%0.35833%0.328SS..SBendtrans-97.8101.5177.9-173.90000109.5G318 T319 I367V316-G318 PolarHBondContact O-N 2.89Å; V316-T319 WeakPolarHBondContact O-CB 3.49Å; V316-T319 VanDerWaalsContact O-CG2 3.28Å; V316-T319 WeakPolarHBondContact O-CG2 3.24Å; V316-T319 PolarHBondContact O-N 3.25Å; V316-T319 PolarHBondContact O-OG1 3.48Å; V316-I367 HydrophobicContact CB-CG2 4.31Å; V316-I367 HydrophobicContact CG2-CG2 4.17Å
317K78.1Confident84.5Confident192 Ų19260.5 Ų60.584%0.83532%0.324SS*.THydrogen-bonded Turntrans37.242.6168.9-62.9-174.1178.6-179.60115.8
318G80.3Confident84.9Confident3 Ų357.3 Ų57.33%0.03131%0.307CS..THydrogen-bonded Turntrans77.216.1177.400000117.5G312 I313 V316 A320G312-G318 VanDerWaalsContact C-CA 3.45Å; I313-G318 CarbonylContact O-C 3.47Å; I313-G318 WeakPolarHBondContact O-CA 3.18Å; V316-G318 PolarHBondContact O-N 2.89Å; G318-A320 VanDerWaalsContact C-N 3.34Å; G318-A320 PolarHBondContact O-N 2.96Å
319T87.6Confident85.5Confident30 Ų3060.6 Ų60.618%0.18432%0.322CS..  trans-81.6-1.3-173.2610000115.5T309 V316 S321 L322 T323T309-T319 HydrophobicContact CG2-CG2 4.13Å; V316-T319 WeakPolarHBondContact O-CB 3.49Å; V316-T319 VanDerWaalsContact O-CG2 3.28Å; V316-T319 WeakPolarHBondContact O-CG2 3.24Å; V316-T319 PolarHBondContact O-N 3.25Å; V316-T319 PolarHBondContact O-OG1 3.48Å; T319-S321 PolarHBondContact O-N 2.82Å; T319-L322 PolarHBondContact O-N 3.29Å; T319-T323 WeakPolarHBondContact O-CB 3.45Å; T319-T323 WeakPolarHBondContact O-CG2 3.18Å; T319-T323 PolarHBondContact O-N 2.95Å; T319-T323 PolarHBondContact O-OG1 2.88Å
320A86.6Confident86.1Confident14 Ų1459.4 Ų59.412%0.11631%0.312CS..Hα-helixtrans-61.7-40.7-170.400000112.8I313 G318 T323 G324 H368I313-A320 HydrophobicContact CG2-CB 4.43Å; I313-A320 VanDerWaalsContact O-CB 3.23Å; I313-A320 WeakPolarHBondContact O-CB 3.41Å; I313-A320 PolarHBondContact O-N 3.03Å; I313-A320 VanDerWaalsContact O-N 3.15Å; G318-A320 VanDerWaalsContact C-N 3.34Å; G318-A320 PolarHBondContact O-N 2.96Å; A320-T323 WeakPolarHBondContact CA-OG1 3.27Å; A320-T323 PolarHBondContact O-OG1 3.4Å; A320-G324 PolarHBondContact O-N 2.98Å; A320-H368 PolarHBondContact O-CE1 2.91Å; A320-H368 PolarHBondContact O-ND1 2.71Å
321S87.4Confident86.8Confident12 Ų1251.4 Ų51.48%0.08428%0.283CS..Hα-helixtrans-67.4-48.2-179.6-55.20000112.3Y305 L306 T319 T323 G324 V325Y305-S321 WeakPolarHBondContact O-CB 3.48Å; Y305-S321 PolarHBondContact O-OG 2.84Å; L306-S321 CarbonylContact O-C 3.59Å; L306-S321 VanDerWaalsContact O-CB 3.32Å; L306-S321 WeakPolarHBondContact O-CB 3.45Å; T319-S321 PolarHBondContact O-N 2.82Å; S321-T323 PolarHBondContact O-N 3.27Å; S321-G324 PolarHBondContact O-N 3.08Å; S321-V325 PolarHBondContact O-N 2.78Å
322L90Very high87.6Confident65 Ų6552.3 Ų52.334%0.3429%0.289SS..Hα-helixtrans-62.5-46.9179.8-177.964.5000111.6T319 G324 V325 I326T319-L322 PolarHBondContact O-N 3.29Å; L322-G324 VanDerWaalsContact C-N 3.28Å; L322-G324 PolarHBondContact O-N 2.92Å; L322-V325 PolarHBondContact O-N 2.95Å; L322-I326 HydrophobicContact CD1-CD1 4.43Å; L322-I326 HydrophobicContact CG-CD1 4.2Å; L322-I326 WeakPolarHBondContact O-CG1 3.09Å; L322-I326 PolarHBondContact O-N 3.11Å; L322-I326 VanDerWaalsContact O-N 3.16Å
323T92.8Very high88.4Confident10 Ų1054.4 Ų54.46%0.06129%0.289CS..Hα-helixtrans-62.8-36.217651.60000111.8T319 A320 S321 I326 L327 L364 I367 H368T319-T323 WeakPolarHBondContact O-CB 3.45Å; T319-T323 WeakPolarHBondContact O-CG2 3.18Å; T319-T323 PolarHBondContact O-N 2.95Å; T319-T323 PolarHBondContact O-OG1 2.88Å; A320-T323 WeakPolarHBondContact CA-OG1 3.27Å; A320-T323 PolarHBondContact O-OG1 3.4Å; S321-T323 PolarHBondContact O-N 3.27Å; T323-I326 PolarHBondContact O-N 3.39Å; T323-L327 VanDerWaalsContact O-CB 3.27Å; T323-L327 WeakPolarHBondContact O-CB 3.36Å; T323-L327 WeakPolarHBondContact O-CD1 3.34Å; T323-L327 WeakPolarHBondContact O-CG 3.36Å; T323-L327 PolarHBondContact O-N 3.03Å; T323-L364 HydrophobicContact CG2-CD2 4.23Å; T323-I367 HydrophobicContact CG2-CG2 4.01Å; T323-H368 PolarHBondContact OG1-ND1 2.79Å
324G92.2Very high89.1Confident14 Ų1453.6 Ų53.614%0.14428%0.284CS..Hα-helixtrans-62.8-43.117600000113.4A320 S321 L322 L327 Q328 H368A320-G324 PolarHBondContact O-N 2.98Å; S321-G324 PolarHBondContact O-N 3.08Å; L322-G324 VanDerWaalsContact C-N 3.28Å; L322-G324 PolarHBondContact O-N 2.92Å; G324-L327 PolarHBondContact O-N 2.94Å; G324-Q328 WeakPolarHBondContact O-CB 3.3Å; G324-Q328 PolarHBondContact O-N 2.8Å; G324-H368 PolarHBondContact N-ND1 2.72Å
325V92.4Very high89.9Confident48 Ų4852.9 Ų52.929%0.29127%0.271SS..Hα-helixtrans-65.2-45176.61750000111.2S321 L322 L327 Q328 L329S321-V325 PolarHBondContact O-N 2.78Å; L322-V325 PolarHBondContact O-N 2.95Å; V325-L327 PolarHBondContact O-N 3.37Å; V325-Q328 WeakPolarHBondContact O-CB 3.34Å; V325-Q328 PolarHBondContact O-N 3.08Å; V325-L329 PolarHBondContact O-N 3.32Å; V325-L329 VanDerWaalsContact O-N 3.1Å
326I94.6Very high90.8Very high70 Ų7050 Ų5036%0.35927%0.265SS..Hα-helixtrans-62.7-44.3177.6-62.8168.4000110.4L322 T323 Q328 L329 L330 L364L322-I326 HydrophobicContact CD1-CD1 4.43Å; L322-I326 HydrophobicContact CG-CD1 4.2Å; L322-I326 WeakPolarHBondContact O-CG1 3.09Å; L322-I326 PolarHBondContact O-N 3.11Å; L322-I326 VanDerWaalsContact O-N 3.16Å; T323-I326 PolarHBondContact O-N 3.39Å; I326-Q328 VanDerWaalsContact C-N 3.35Å; I326-Q328 PolarHBondContact O-N 3.09Å; I326-L329 PolarHBondContact O-N 3.33Å; I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.41Å; I326-L330 WeakPolarHBondContact O-CG 3.4Å; I326-L330 PolarHBondContact O-N 2.89Å; I326-L364 HydrophobicContact CB-CD1 4.43Å; I326-L364 HydrophobicContact CG2-CD1 3.63Å
327L95.3Very high91.4Very high8 Ų847.6 Ų47.64%0.04225%0.25CS..Hα-helixtrans-59.6-43.5175.5-80.2168.5000112.1T323 G324 V325 L329 L330 I331 V361 L364 L365 H368T323-L327 VanDerWaalsContact O-CB 3.27Å; T323-L327 WeakPolarHBondContact O-CB 3.36Å; T323-L327 WeakPolarHBondContact O-CD1 3.34Å; T323-L327 WeakPolarHBondContact O-CG 3.36Å; T323-L327 PolarHBondContact O-N 3.03Å; G324-L327 PolarHBondContact O-N 2.94Å; V325-L327 PolarHBondContact O-N 3.37Å; L327-L329 PolarHBondContact O-N 3.48Å; L327-L330 PolarHBondContact O-N 3.06Å; L327-I331 WeakPolarHBondContact O-CB 3.45Å; L327-I331 VanDerWaalsContact O-CG1 3.27Å; L327-I331 WeakPolarHBondContact O-CG1 3.4Å; L327-I331 PolarHBondContact O-N 3Å; L327-V361 HydrophobicContact CD2-CB 4.41Å; L327-V361 HydrophobicContact CD2-CG1 3.93Å; L327-L364 HydrophobicContact CD1-CB 4.22Å; L327-L364 HydrophobicContact CD2-CB 3.6Å; L327-L364 HydrophobicContact CD2-CD1 4.3Å; L327-L364 HydrophobicContact CG-CB 3.82Å; L327-L364 HydrophobicContact CG-CD1 4.42Å; L327-L365 HydrophobicContact CD1-CD2 3.96Å; L327-L365 HydrophobicContact CD1-CG 4.27Å; L327-L365 HydrophobicContact CD2-CD2 4.41Å; L327-L365 HydrophobicContact CD2-CG 4.04Å; L327-H368 HydrophobicContact CD1-CB 3.81Å
328Q95Very high92Very high25 Ų2540.2 Ų40.212%0.11722%0.222CC..Hα-helixtrans-59.1-46.5177.7-178.668.473.900111.5T280 T284 G324 V325 I326 C332T280-Q328 PolarHBondContact O-OE1 3.05Å; T284-Q328 PolarHBondContact OG1-OE1 3.21Å; G324-Q328 WeakPolarHBondContact O-CB 3.3Å; G324-Q328 PolarHBondContact O-N 2.8Å; V325-Q328 WeakPolarHBondContact O-CB 3.34Å; V325-Q328 PolarHBondContact O-N 3.08Å; I326-Q328 VanDerWaalsContact C-N 3.35Å; I326-Q328 PolarHBondContact O-N 3.09Å; Q328-C332 PolarHBondContact NE2-SG 3.18Å; Q328-C332 WeakPolarHBondContact O-CB 3.16Å; Q328-C332 PolarHBondContact O-N 3.27Å; Q328-C332 PolarHBondContact O-SG 3.2Å
329L95.3Very high92.3Very high119 Ų11941.3 Ų41.362%0.62323%0.23SC*.Hα-helixtrans-63.9-46.7178.2-69.9173.8000111.6V325 I326 L327 C332 L333V325-L329 PolarHBondContact O-N 3.32Å; V325-L329 VanDerWaalsContact O-N 3.1Å; I326-L329 PolarHBondContact O-N 3.33Å; L327-L329 PolarHBondContact O-N 3.48Å; L329-C332 PolarHBondContact O-N 3.35Å; L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.2Å; L329-L333 PolarHBondContact O-N 3.4Å
330L95.8Very high92.1Very high41 Ų4144 Ų4422%0.21525%0.246CC..Hα-helixtrans-62.4-45.7179.3-73.2174.2000112.2I326 L327 L333 M334 V361 L364I326-L330 HydrophobicContact CG2-CD1 3.97Å; I326-L330 HydrophobicContact CG2-CG 4.41Å; I326-L330 WeakPolarHBondContact O-CG 3.4Å; I326-L330 PolarHBondContact O-N 2.89Å; L327-L330 PolarHBondContact O-N 3.06Å; L330-L333 PolarHBondContact O-N 2.82Å; L330-M334 WeakPolarHBondContact O-CB 3.46Å; L330-M334 PolarHBondContact O-N 3.12Å; L330-V361 HydrophobicContact CB-CG2 4.11Å; L330-V361 HydrophobicContact CD1-CG2 4.4Å; L330-L364 HydrophobicContact CD1-CD1 3.67Å
331I95.4Very high91.8Very high5 Ų551 Ų513%0.02627%0.274CS..Hα-helixtrans-65.4-44.3179.5-68.7168.2000110.7I276 L277 T280 L327 M334 V335 V361I276-I331 HydrophobicContact CG2-CD1 4.4Å; I276-I331 HydrophobicContact CG2-CG2 4.29Å; L277-I331 HydrophobicContact CD1-CG2 4.36Å; T280-I331 HydrophobicContact CG2-CD1 4.23Å; L327-I331 WeakPolarHBondContact O-CB 3.45Å; L327-I331 VanDerWaalsContact O-CG1 3.27Å; L327-I331 WeakPolarHBondContact O-CG1 3.4Å; L327-I331 PolarHBondContact O-N 3Å; I331-M334 PolarHBondContact O-N 2.99Å; I331-V335 HydrophobicContact CG2-CG2 4.48Å; I331-V335 WeakPolarHBondContact O-CG2 3.37Å; I331-V335 PolarHBondContact O-N 3.11Å; I331-V361 HydrophobicContact CG1-CG1 4.35Å
332C95.3Very high91.6Very high49 Ų4951.1 Ų51.133%0.33128%0.275SS..Hα-helixtrans-60.7-47.7176.7-76.30000111.9Q328 L329 V335 F336Q328-C332 PolarHBondContact NE2-SG 3.18Å; Q328-C332 WeakPolarHBondContact O-CB 3.16Å; Q328-C332 PolarHBondContact O-N 3.27Å; Q328-C332 PolarHBondContact O-SG 3.2Å; L329-C332 PolarHBondContact O-N 3.35Å; C332-V335 PolarHBondContact O-N 3.19Å; C332-F336 WeakPolarHBondContact O-CB 3.27Å; C332-F336 PolarHBondContact O-N 2.91Å
333L94.8Very high91.2Very high91 Ų9153.1 Ų53.148%0.47628%0.278SS..Hα-helixtrans-60.2-47.4177.5-179.764.9000111.1L329 L330 V335 F336 C337L329-L333 VanDerWaalsContact O-CB 3.3Å; L329-L333 WeakPolarHBondContact O-CB 3.2Å; L329-L333 PolarHBondContact O-N 3.4Å; L330-L333 PolarHBondContact O-N 2.82Å; L333-V335 PolarHBondContact O-N 3Å; L333-F336 PolarHBondContact O-N 2.97Å; L333-C337 WeakPolarHBondContact O-CB 3.48Å; L333-C337 PolarHBondContact O-N 3.42Å; L333-C337 PolarHBondContact O-SG 3.01Å; L333-C337 VanDerWaalsContact O-SG 3.36Å
334M94.4Very high90.2Very high33 Ų3361.4 Ų61.416%0.16331%0.308CS..Hα-helixtrans-59.7-45.4179.8-176.7178.567.300112L330 I331 S338L330-M334 WeakPolarHBondContact O-CB 3.46Å; L330-M334 PolarHBondContact O-N 3.12Å; I331-M334 PolarHBondContact O-N 2.99Å; M334-S338 VanDerWaalsContact O-CB 3.25Å; M334-S338 WeakPolarHBondContact O-CB 3.44Å; M334-S338 PolarHBondContact O-N 3.05Å; M334-S338 PolarHBondContact O-OG 3.38Å
335V92.9Very high89.2Confident27 Ų2763.5 Ų63.516%0.16432%0.32CS..Hα-helixtrans-69.3-39.8179.7175.30000111.4Y274 L277 I331 C332 L333 S338 S339Y274-V335 HydrophobicContact CD1-CG1 4.37Å; Y274-V335 HydrophobicContact CE1-CG1 4.15Å; L277-V335 HydrophobicContact CB-CG2 4.47Å; L277-V335 HydrophobicContact CD2-CB 4.4Å; L277-V335 HydrophobicContact CD2-CG1 3.92Å; I331-V335 HydrophobicContact CG2-CG2 4.48Å; I331-V335 WeakPolarHBondContact O-CG2 3.37Å; I331-V335 PolarHBondContact O-N 3.11Å; C332-V335 PolarHBondContact O-N 3.19Å; L333-V335 PolarHBondContact O-N 3Å; V335-S338 PolarHBondContact O-N 3.15Å; V335-S339 PolarHBondContact O-N 3.08Å
336F92.4Very high88Confident136 Ų13662.7 Ų62.760%0.59632%0.322SS*.Hα-helixtrans-61.4-49.9176.1176.4-99.8000112C332 L333 S338 S339 V342C332-F336 WeakPolarHBondContact O-CB 3.27Å; C332-F336 PolarHBondContact O-N 2.91Å; L333-F336 PolarHBondContact O-N 2.97Å; F336-S338 PolarHBondContact O-N 2.72Å; F336-S339 WeakPolarHBondContact O-CB 3.26Å; F336-S339 PolarHBondContact O-N 3.38Å; F336-S339 PolarHBondContact O-OG 2.82Å; F336-V342 HydrophobicContact CE1-CG2 4.39Å
337C91.9Very high87Confident8 Ų864.1 Ų64.15%0.05433%0.326CS..Hα-helixtrans-67.8-20.6177.4-65.90000113L333 S339 V342 V350 T354L333-C337 WeakPolarHBondContact O-CB 3.48Å; L333-C337 PolarHBondContact O-N 3.42Å; L333-C337 PolarHBondContact O-SG 3.01Å; L333-C337 VanDerWaalsContact O-SG 3.36Å; C337-S339 VanDerWaalsContact C-N 3.31Å; C337-V342 WeakPolarHBondContact O-CG1 3.3Å; C337-V350 HydrophobicContact CB-CG1 4.41Å; C337-T354 HydrophobicContact CB-CG2 4.03Å; C337-T354 WeakPolarHBondContact CB-OG1 3.42Å
338S90.6Very high86.1Confident36 Ų3666.9 Ų66.925%0.25234%0.338SS..THydrogen-bonded Turntrans-83.3-2.8172.8-580000114.1M334 V335 F336 H355M334-S338 VanDerWaalsContact O-CB 3.25Å; M334-S338 WeakPolarHBondContact O-CB 3.44Å; M334-S338 PolarHBondContact O-N 3.05Å; M334-S338 PolarHBondContact O-OG 3.38Å; V335-S338 PolarHBondContact O-N 3.15Å; F336-S338 PolarHBondContact O-N 2.72Å; S338-H355 PolarHBondContact OG-ND1 2.93Å
339S86.8Confident85.4Confident27 Ų2769.2 Ų69.219%0.18935%0.349CS..SBendtrans-62.6153.5179.369.40000112.4V335 F336 C337 F341 V342 R343V335-S339 PolarHBondContact O-N 3.08Å; F336-S339 WeakPolarHBondContact O-CB 3.26Å; F336-S339 PolarHBondContact O-N 3.38Å; F336-S339 PolarHBondContact O-OG 2.82Å; C337-S339 VanDerWaalsContact C-N 3.31Å; S339-F341 PolarHBondContact O-N 2.9Å; S339-V342 PolarHBondContact O-N 3.17Å; S339-V342 PolarHBondContact OG-N 3.39Å; S339-R343 WeakPolarHBondContact O-CB 3.29Å; S339-R343 PolarHBondContact O-N 3.35Å
340T82.1Confident84.9Confident85 Ų8566.5 Ų66.552%0.52134%0.338SS..Hα-helixtrans-61.8-26.6177.749.30000112.8R344T340-R344 VanDerWaalsContact O-CB 3.24Å; T340-R344 WeakPolarHBondContact O-CB 3.4Å; T340-R344 VanDerWaalsContact O-CG 3.24Å; T340-R344 WeakPolarHBondContact O-CG 3.16Å; T340-R344 PolarHBondContact O-N 3.45Å
341F81.6Confident84.5Confident161 Ų16166.5 Ų66.571%0.70634%0.336SS*.Hα-helixtrans-65.6-54.2176.2178.8-102.4000111S339 R344 S345S339-F341 PolarHBondContact O-N 2.9Å; F341-R344 PolarHBondContact O-N 3.47Å; F341-S345 PolarHBondContact O-N 3.14Å; F341-S345 VanDerWaalsContact O-N 3.12Å
342V82.7Confident84Confident16 Ų1669.3 Ų69.310%0.09735%0.346CS..Hα-helixtrans-67.4-41-1801780000111.5F336 C337 S339 R344 S345 V350F336-V342 HydrophobicContact CE1-CG2 4.39Å; C337-V342 WeakPolarHBondContact O-CG1 3.3Å; S339-V342 PolarHBondContact O-N 3.17Å; S339-V342 PolarHBondContact OG-N 3.39Å; V342-R344 PolarHBondContact O-N 2.83Å; V342-S345 PolarHBondContact O-N 3.43Å; V342-S345 PolarHBondContact O-OG 2.86Å; V342-V350 HydrophobicContact CG1-CG1 4.25Å
343R80.4Confident83.6Confident107 Ų10774 Ų7440%0.40436%0.358SS..Hα-helixtrans-65.8-26.1179.9-169.1173.462.8126-0.2113.2S339 F348S339-R343 WeakPolarHBondContact O-CB 3.29Å; S339-R343 PolarHBondContact O-N 3.35Å; R343-F348 HydrophobicContact CG-CD2 4.25Å; R343-F348 HydrophobicContact CG-CE2 4.47Å
344R72.7Confident83.5Confident184 Ų18471 Ų7169%0.69434%0.343SS*.Hα-helixtrans-98.8-5.8-179.6-68.4-179173.9-179.9-1.4113.8T340 F341 V342 G346T340-R344 VanDerWaalsContact O-CB 3.24Å; T340-R344 WeakPolarHBondContact O-CB 3.4Å; T340-R344 VanDerWaalsContact O-CG 3.24Å; T340-R344 WeakPolarHBondContact O-CG 3.16Å; T340-R344 PolarHBondContact O-N 3.45Å; F341-R344 PolarHBondContact O-N 3.47Å; V342-R344 PolarHBondContact O-N 2.83Å; R344-G346 PolarHBondContact O-N 3.09Å; R344-G346 VanDerWaalsContact O-N 3.12Å
345S71.8Confident83.4Confident58 Ų5871.7 Ų71.741%0.40635%0.346SS..SBendtrans-77.111.6-179.968.40000114.2F341 V342 H347F341-S345 PolarHBondContact O-N 3.14Å; F341-S345 VanDerWaalsContact O-N 3.12Å; V342-S345 PolarHBondContact O-N 3.43Å; V342-S345 PolarHBondContact O-OG 2.86Å; S345-H347 VanDerWaalsContact C-N 3.31Å; S345-H347 PolarHBondContact O-N 3.49Å; S345-H347 PolarHBondContact O-ND1 3.32Å; S345-H347 VanDerWaalsContact O-ND1 3.15Å
346G65.8Low83.2Confident31 Ų3173.1 Ų73.132%0.3235%0.352SS..SBendtrans87-15.8-18000000115.2R344 F348 Q466R344-G346 PolarHBondContact O-N 3.09Å; R344-G346 VanDerWaalsContact O-N 3.12Å; G346-F348 PolarHBondContact O-N 3.19Å; G346-Q466 VanDerWaalsContact O-CG 3.26Å; G346-Q466 WeakPolarHBondContact O-CG 2.91Å; G346-Q466 PolarHBondContact O-OE1 2.93Å; G346-Q466 VanDerWaalsContact O-OE1 3.12Å
347H74.8Confident83.2Confident99 Ų9967.6 Ų67.646%0.45833%0.33SS..  trans-98.962.9-176.1-61.485.6000112.6S345 E349 V350S345-H347 VanDerWaalsContact C-N 3.31Å; S345-H347 PolarHBondContact O-N 3.49Å; S345-H347 PolarHBondContact O-ND1 3.32Å; S345-H347 VanDerWaalsContact O-ND1 3.15Å; H347-E349 PolarHBondContact O-N 3.03Å; H347-E349 VanDerWaalsContact O-N 3.14Å; H347-V350 HydrophobicContact CB-CG2 4.02Å; H347-V350 PolarHBondContact O-N 2.83Å; H347-V350 VanDerWaalsContact O-N 3.16Å
348F75.3Confident83.2Confident66 Ų6669.9 Ų69.929%0.28934%0.338SS..Hα-helixtrans-59-27.4-178.6-176.2-97.8000113.2R343 G346 V350 F351 Y352R343-F348 HydrophobicContact CG-CD2 4.25Å; R343-F348 HydrophobicContact CG-CE2 4.47Å; G346-F348 PolarHBondContact O-N 3.19Å; F348-V350 VanDerWaalsContact C-N 3.3Å; F348-V350 PolarHBondContact O-N 2.93Å; F348-F351 AromaticContact CD2-CD1 3.87Å; F348-F351 HydrophobicContact CD2-CD1 3.87Å; F348-F351 HydrophobicContact CE1-CD1 4.35Å; F348-F351 AromaticContact CE2-CD1 3.42Å; F348-F351 HydrophobicContact CE2-CD1 3.42Å; F348-F351 VanDerWaalsContact CE2-CD1 3.42Å; F348-F351 AromaticContact CE2-CE1 3.64Å; F348-F351 HydrophobicContact CE2-CE1 3.64Å; F348-F351 AromaticContact CZ-CD1 3.7Å; F348-F351 HydrophobicContact CZ-CD1 3.7Å; F348-F351 AromaticContact CZ-CE1 3.7Å; F348-F351 HydrophobicContact CZ-CE1 3.7Å; F348-F351 WeakPolarHBondContact O-CB 3.32Å; F348-F351 PolarHBondContact O-N 3.06Å; F348-Y352 PolarHBondContact O-N 2.68Å
349E80.1Confident83.3Confident74 Ų7471.9 Ų71.935%0.34635%0.345SS..Hα-helixtrans-59.7-37.2177.7-62-178.2-170.900112.9H347 F351 Y352 W353 R470H347-E349 PolarHBondContact O-N 3.03Å; H347-E349 VanDerWaalsContact O-N 3.14Å; E349-F351 VanDerWaalsContact C-N 3.35Å; E349-F351 PolarHBondContact O-N 2.86Å; E349-Y352 PolarHBondContact O-N 2.82Å; E349-W353 VanDerWaalsContact O-CD1 3.25Å; E349-W353 PolarHBondContact O-N 2.81Å; E349-R470 IonicContact OE1-NH2 3.67Å
350V86.1Confident83.6Confident63 Ų6378.6 Ų78.638%0.38237%0.366SS..Hα-helixtrans-62.2-46.8178176.60000109.8C337 V342 H347 F348 T354C337-V350 HydrophobicContact CB-CG1 4.41Å; V342-V350 HydrophobicContact CG1-CG1 4.25Å; H347-V350 HydrophobicContact CB-CG2 4.02Å; H347-V350 PolarHBondContact O-N 2.83Å; H347-V350 VanDerWaalsContact O-N 3.16Å; F348-V350 VanDerWaalsContact C-N 3.3Å; F348-V350 PolarHBondContact O-N 2.93Å; V350-T354 HydrophobicContact CG1-CG2 4.41Å; V350-T354 VanDerWaalsContact O-CB 3.3Å; V350-T354 WeakPolarHBondContact O-CB 3.36Å; V350-T354 WeakPolarHBondContact O-CG2 3.18Å; V350-T354 PolarHBondContact O-N 2.85Å; V350-T354 VanDerWaalsContact O-N 3.13Å; V350-T354 PolarHBondContact O-OG1 3.25Å
351F87.2Confident84.2Confident41 Ų4175 Ų7518%0.1834%0.344CS..Hα-helixtrans-58.6-49.2172.6159-105.3000111F348 E349 W353 T354 H355F348-F351 AromaticContact CD2-CD1 3.87Å; F348-F351 HydrophobicContact CD2-CD1 3.87Å; F348-F351 HydrophobicContact CE1-CD1 4.35Å; F348-F351 AromaticContact CE2-CD1 3.42Å; F348-F351 HydrophobicContact CE2-CD1 3.42Å; F348-F351 VanDerWaalsContact CE2-CD1 3.42Å; F348-F351 AromaticContact CE2-CE1 3.64Å; F348-F351 HydrophobicContact CE2-CE1 3.64Å; F348-F351 AromaticContact CZ-CD1 3.7Å; F348-F351 HydrophobicContact CZ-CD1 3.7Å; F348-F351 AromaticContact CZ-CE1 3.7Å; F348-F351 HydrophobicContact CZ-CE1 3.7Å; F348-F351 WeakPolarHBondContact O-CB 3.32Å; F348-F351 PolarHBondContact O-N 3.06Å; E349-F351 VanDerWaalsContact C-N 3.35Å; E349-F351 PolarHBondContact O-N 2.86Å; F351-W353 PolarHBondContact O-N 2.8Å; F351-T354 PolarHBondContact O-OG1 3.29Å; F351-H355 HydrophobicContact CD2-CB 4.33Å; F351-H355 HydrophobicContact CE2-CB 4.04Å; F351-H355 AromaticContact CE2-CG 3.99Å; F351-H355 HydrophobicContact CZ-CB 4.49Å; F351-H355 WeakPolarHBondContact O-CB 3.45Å; F351-H355 PolarHBondContact O-N 2.91Å
352Y83.8Confident84.7Confident63 Ų6368.9 Ų68.925%0.24732%0.317CS..Hα-helixtrans-58.8-52.9-175.5-178.6-98000112.7F348 E349 H355 L356 Y440F348-Y352 PolarHBondContact O-N 2.68Å; E349-Y352 PolarHBondContact O-N 2.82Å; Y352-H355 PolarHBondContact O-N 2.83Å; Y352-L356 WeakPolarHBondContact O-CB 3.42Å; Y352-L356 PolarHBondContact O-N 3.43Å; Y352-Y440 PolarHBondContact OH-O 2.68Å
353W87.2Confident85.2Confident149 Ų14971.8 Ų71.856%0.56433%0.331SS*.Hα-helixtrans-69.7-41.6-177-74.7111.3000112.9E349 F351 H355 L356 S357E349-W353 VanDerWaalsContact O-CD1 3.25Å; E349-W353 PolarHBondContact O-N 2.81Å; F351-W353 PolarHBondContact O-N 2.8Å; W353-H355 VanDerWaalsContact C-N 3.31Å; W353-H355 PolarHBondContact O-N 3.48Å; W353-L356 HydrophobicContact CE3-CD2 4.04Å; W353-L356 HydrophobicContact CZ3-CD2 3.97Å; W353-L356 PolarHBondContact O-N 3.44Å; W353-S357 PolarHBondContact O-N 2.9Å
354T92Very high85.8Confident27 Ų2768.1 Ų68.117%0.16632%0.319CS..Hα-helixtrans-67.1-35.6177.458.50000111.4C337 V350 F351 S357C337-T354 HydrophobicContact CB-CG2 4.03Å; C337-T354 WeakPolarHBondContact CB-OG1 3.42Å; V350-T354 HydrophobicContact CG1-CG2 4.41Å; V350-T354 VanDerWaalsContact O-CB 3.3Å; V350-T354 WeakPolarHBondContact O-CB 3.36Å; V350-T354 WeakPolarHBondContact O-CG2 3.18Å; V350-T354 PolarHBondContact O-N 2.85Å; V350-T354 VanDerWaalsContact O-N 3.13Å; V350-T354 PolarHBondContact O-OG1 3.25Å; F351-T354 PolarHBondContact O-OG1 3.29Å; T354-S357 VanDerWaalsContact O-CB 3.27Å; T354-S357 WeakPolarHBondContact O-CB 3.34Å; T354-S357 PolarHBondContact O-N 3.42Å; T354-S357 PolarHBondContact O-OG 2.79Å
355H92.3Very high86.8Confident48 Ų4860 Ų6022%0.22229%0.289CS..Hα-helixtrans-71.2-36175.5-157.880.6000111.9H269 S338 F351 Y352 W353 S357 Y358H269-H355 AromaticContact NE2-CE1 3.76Å; H269-H355 AromaticContact NE2-NE2 3.85Å; S338-H355 PolarHBondContact OG-ND1 2.93Å; F351-H355 HydrophobicContact CD2-CB 4.33Å; F351-H355 HydrophobicContact CE2-CB 4.04Å; F351-H355 AromaticContact CE2-CG 3.99Å; F351-H355 HydrophobicContact CZ-CB 4.49Å; F351-H355 WeakPolarHBondContact O-CB 3.45Å; F351-H355 PolarHBondContact O-N 2.91Å; Y352-H355 PolarHBondContact O-N 2.83Å; W353-H355 VanDerWaalsContact C-N 3.31Å; W353-H355 PolarHBondContact O-N 3.48Å; H355-S357 PolarHBondContact O-N 3.05Å; H355-S357 VanDerWaalsContact O-N 3.08Å; H355-Y358 WeakPolarHBondContact O-CD1 2.94Å; H355-Y358 PolarHBondContact O-N 3.26Å; H355-Y358 VanDerWaalsContact O-N 3.15Å
356L90.5Very high87.8Confident56 Ų5660.6 Ų60.629%0.29329%0.287SS..Hα-helixtrans-60.7-17.5174.8-171.261.5000113.4Y352 W353 Y358 I359Y352-L356 WeakPolarHBondContact O-CB 3.42Å; Y352-L356 PolarHBondContact O-N 3.43Å; W353-L356 HydrophobicContact CE3-CD2 4.04Å; W353-L356 HydrophobicContact CZ3-CD2 3.97Å; W353-L356 PolarHBondContact O-N 3.44Å; L356-Y358 HydrophobicContact CD1-CE1 3.84Å; L356-Y358 PolarHBondContact O-N 3.44Å; L356-I359 HydrophobicContact CD1-CD1 4.34Å; L356-I359 PolarHBondContact O-N 3.47Å
357S91.7Very high89Confident20 Ų2062 Ų6214%0.1429%0.287CS..THydrogen-bonded Turntrans-62.1-5.9172.977.70000114.3W353 T354 H355 I359 W360 V361W353-S357 PolarHBondContact O-N 2.9Å; T354-S357 VanDerWaalsContact O-CB 3.27Å; T354-S357 WeakPolarHBondContact O-CB 3.34Å; T354-S357 PolarHBondContact O-N 3.42Å; T354-S357 PolarHBondContact O-OG 2.79Å; H355-S357 PolarHBondContact O-N 3.05Å; H355-S357 VanDerWaalsContact O-N 3.08Å; S357-I359 PolarHBondContact O-N 3.29Å; S357-I359 VanDerWaalsContact O-N 3.08Å; S357-W360 WeakPolarHBondContact O-CB 3.32Å; S357-W360 PolarHBondContact O-N 3.29Å; S357-V361 PolarHBondContact O-N 2.85Å; S357-V361 VanDerWaalsContact O-N 3.1Å
358Y92.4Very high89.7Confident56 Ų5659.1 Ų59.122%0.2227%0.273CS..Hα-helixtrans-52-30.517372.7-108.1000113.2H355 L356 W360 V361 W362 F383H355-Y358 WeakPolarHBondContact O-CD1 2.94Å; H355-Y358 PolarHBondContact O-N 3.26Å; H355-Y358 VanDerWaalsContact O-N 3.15Å; L356-Y358 HydrophobicContact CD1-CE1 3.84Å; L356-Y358 PolarHBondContact O-N 3.44Å; Y358-W360 VanDerWaalsContact C-N 3.34Å; Y358-W360 PolarHBondContact O-N 2.8Å; Y358-V361 PolarHBondContact O-N 2.92Å; Y358-W362 HydrophobicContact CD2-CD2 4Å; Y358-W362 AromaticContact CD2-CE2 3.96Å; Y358-W362 AromaticContact CD2-CE3 3.69Å; Y358-W362 HydrophobicContact CD2-CE3 3.69Å; Y358-W362 AromaticContact CD2-CH2 3.31Å; Y358-W362 HydrophobicContact CD2-CH2 3.31Å; Y358-W362 AromaticContact CD2-CZ2 3.63Å; Y358-W362 HydrophobicContact CD2-CZ2 3.63Å; Y358-W362 AromaticContact CD2-CZ3 3.36Å; Y358-W362 HydrophobicContact CD2-CZ3 3.36Å; Y358-W362 AromaticContact CE2-CE3 3.99Å; Y358-W362 HydrophobicContact CE2-CE3 3.99Å; Y358-W362 AromaticContact CE2-CH2 3.42Å; Y358-W362 HydrophobicContact CE2-CH2 3.42Å; Y358-W362 VanDerWaalsContact CE2-CH2 3.42Å; Y358-W362 HydrophobicContact CE2-CZ2 4.21Å; Y358-W362 AromaticContact CE2-CZ3 3.31Å; Y358-W362 HydrophobicContact CE2-CZ3 3.31Å; Y358-W362 HydrophobicContact CG-CH2 4.34Å; Y358-W362 HydrophobicContact CG-CZ2 4.35Å; Y358-W362 PolarHBondContact O-N 3.4Å; Y358-F383 HydrophobicContact CE2-CE1 4.3Å; Y358-F383 HydrophobicContact CE2-CZ 4.33Å
359I91.9Very high90.3Very high78 Ų7857.3 Ų57.340%0.427%0.269SS..Hα-helixtrans-61.6-46.1177.3-59.9175.1000109.8L356 S357 W362 I363L356-I359 HydrophobicContact CD1-CD1 4.34Å; L356-I359 PolarHBondContact O-N 3.47Å; S357-I359 PolarHBondContact O-N 3.29Å; S357-I359 VanDerWaalsContact O-N 3.08Å; I359-W362 PolarHBondContact O-N 2.72Å; I359-I363 HydrophobicContact CG2-CD1 4.12Å; I359-I363 WeakPolarHBondContact O-CG1 3.42Å; I359-I363 PolarHBondContact O-N 2.58Å; I359-I363 VanDerWaalsContact O-N 3.1Å
360W93.8Very high90.4Very high168 Ų16855.3 Ų55.364%0.63627%0.265SS*.Hα-helixtrans-66.5-40176.7-65.2114.4000111.7S357 Y358 W362 I363 L364S357-W360 WeakPolarHBondContact O-CB 3.32Å; S357-W360 PolarHBondContact O-N 3.29Å; Y358-W360 VanDerWaalsContact C-N 3.34Å; Y358-W360 PolarHBondContact O-N 2.8Å; W360-W362 VanDerWaalsContact C-N 3.33Å; W360-W362 PolarHBondContact O-N 2.86Å; W360-I363 HydrophobicContact CE3-CD1 4.22Å; W360-I363 HydrophobicContact CZ3-CD1 4.4Å; W360-I363 PolarHBondContact O-N 3.28Å; W360-L364 WeakPolarHBondContact O-CB 3.03Å; W360-L364 VanDerWaalsContact O-CG 3.31Å; W360-L364 WeakPolarHBondContact O-CG 3.42Å; W360-L364 PolarHBondContact O-N 3.15Å
361V94.1Very high90.5Very high9 Ų956 Ų566%0.05527%0.266CS..Hα-helixtrans-58.3-44.1174.7174.90000111L327 L330 I331 S357 Y358 L364 L365L327-V361 HydrophobicContact CD2-CB 4.41Å; L327-V361 HydrophobicContact CD2-CG1 3.93Å; L330-V361 HydrophobicContact CB-CG2 4.11Å; L330-V361 HydrophobicContact CD1-CG2 4.4Å; I331-V361 HydrophobicContact CG1-CG1 4.35Å; S357-V361 PolarHBondContact O-N 2.85Å; S357-V361 VanDerWaalsContact O-N 3.1Å; Y358-V361 PolarHBondContact O-N 2.92Å; V361-L364 PolarHBondContact O-N 2.93Å; V361-L365 HydrophobicContact CG1-CD1 3.88Å; V361-L365 HydrophobicContact CG1-CG 4.35Å; V361-L365 WeakPolarHBondContact O-CB 3.31Å; V361-L365 VanDerWaalsContact O-CG 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å; V361-L365 PolarHBondContact O-N 2.97Å
362W92.7Very high90.6Very high34 Ų3454 Ų5413%0.12926%0.257CS..Hα-helixtrans-67.7-43.3178.5-64.7-24.1000113.4M240 Y358 I359 W360 L364 L365 I366 F376 F383M240-W362 HydrophobicContact CB-CH2 4.45Å; M240-W362 HydrophobicContact CB-CZ2 3.93Å; M240-W362 HydrophobicContact CG-CH2 3.86Å; M240-W362 HydrophobicContact CG-CZ2 3.85Å; M240-W362 HydrophobicContact SD-CH2 3.53Å; M240-W362 VanDerWaalsContact SD-CH2 3.53Å; M240-W362 HydrophobicContact SD-CZ2 3.71Å; M240-W362 HydrophobicContact SD-CZ3 4.1Å; Y358-W362 HydrophobicContact CD2-CD2 4Å; Y358-W362 AromaticContact CD2-CE2 3.96Å; Y358-W362 AromaticContact CD2-CE3 3.69Å; Y358-W362 HydrophobicContact CD2-CE3 3.69Å; Y358-W362 AromaticContact CD2-CH2 3.31Å; Y358-W362 HydrophobicContact CD2-CH2 3.31Å; Y358-W362 AromaticContact CD2-CZ2 3.63Å; Y358-W362 HydrophobicContact CD2-CZ2 3.63Å; Y358-W362 AromaticContact CD2-CZ3 3.36Å; Y358-W362 HydrophobicContact CD2-CZ3 3.36Å; Y358-W362 AromaticContact CE2-CE3 3.99Å; Y358-W362 HydrophobicContact CE2-CE3 3.99Å; Y358-W362 AromaticContact CE2-CH2 3.42Å; Y358-W362 HydrophobicContact CE2-CH2 3.42Å; Y358-W362 VanDerWaalsContact CE2-CH2 3.42Å; Y358-W362 HydrophobicContact CE2-CZ2 4.21Å; Y358-W362 AromaticContact CE2-CZ3 3.31Å; Y358-W362 HydrophobicContact CE2-CZ3 3.31Å; Y358-W362 HydrophobicContact CG-CH2 4.34Å; Y358-W362 HydrophobicContact CG-CZ2 4.35Å; Y358-W362 PolarHBondContact O-N 3.4Å; I359-W362 PolarHBondContact O-N 2.72Å; W360-W362 VanDerWaalsContact C-N 3.33Å; W360-W362 PolarHBondContact O-N 2.86Å; W362-L364 VanDerWaalsContact C-N 3.31Å; W362-L364 PolarHBondContact O-N 3.48Å; W362-L365 PolarHBondContact O-N 3.11Å; W362-I366 WeakPolarHBondContact O-CG1 3.07Å; W362-I366 PolarHBondContact O-N 3.4Å; W362-F376 HydrophobicContact CB-CE2 4.22Å; W362-F376 HydrophobicContact CB-CZ 4.25Å; W362-F376 AromaticContact CD2-CE2 3.76Å; W362-F376 HydrophobicContact CD2-CE2 3.76Å; W362-F376 HydrophobicContact CD2-CZ 4.06Å; W362-F376 AromaticContact CE3-CE2 3.98Å; W362-F376 HydrophobicContact CE3-CE2 3.98Å; W362-F376 AromaticContact CE3-CZ 3.87Å; W362-F376 HydrophobicContact CE3-CZ 3.87Å; W362-F376 AromaticContact CG-CE2 3.86Å; W362-F376 HydrophobicContact CG-CE2 3.86Å; W362-F376 HydrophobicContact CG-CZ 4.24Å; W362-F383 HydrophobicContact CH2-CD1 4.13Å; W362-F383 AromaticContact CH2-CE1 3.82Å; W362-F383 HydrophobicContact CH2-CE1 3.82Å; W362-F383 HydrophobicContact CH2-CE2 4.39Å; W362-F383 AromaticContact CH2-CZ 3.95Å; W362-F383 HydrophobicContact CH2-CZ 3.95Å; W362-F383 HydrophobicContact CZ3-CD1 4.12Å; W362-F383 AromaticContact CZ3-CE1 3.89Å; W362-F383 HydrophobicContact CZ3-CE1 3.89Å; W362-F383 HydrophobicContact CZ3-CZ 4.45Å
363I92.8Very high90.9Very high77 Ų7757.5 Ų57.540%0.39527%0.27SS..Hα-helixtrans-58.2-47.4175.5-67.8167.7000109.9I359 W360 I366 I367I359-I363 HydrophobicContact CG2-CD1 4.12Å; I359-I363 WeakPolarHBondContact O-CG1 3.42Å; I359-I363 PolarHBondContact O-N 2.58Å; I359-I363 VanDerWaalsContact O-N 3.1Å; W360-I363 HydrophobicContact CE3-CD1 4.22Å; W360-I363 HydrophobicContact CZ3-CD1 4.4Å; W360-I363 PolarHBondContact O-N 3.28Å; I363-I366 PolarHBondContact O-N 2.91Å; I363-I367 HydrophobicContact CG2-CD1 4.15Å; I363-I367 WeakPolarHBondContact O-CG1 3.42Å; I363-I367 PolarHBondContact O-N 3.06Å
364L93.7Very high91.2Very high29 Ų2956.3 Ų56.315%0.15227%0.269CS..Hα-helixtrans-65.9-37.5178.4-71.8172.2000112.4T323 I326 L327 L330 W360 V361 W362 I367 H368T323-L364 HydrophobicContact CG2-CD2 4.23Å; I326-L364 HydrophobicContact CB-CD1 4.43Å; I326-L364 HydrophobicContact CG2-CD1 3.63Å; L327-L364 HydrophobicContact CD1-CB 4.22Å; L327-L364 HydrophobicContact CD2-CB 3.6Å; L327-L364 HydrophobicContact CD2-CD1 4.3Å; L327-L364 HydrophobicContact CG-CB 3.82Å; L327-L364 HydrophobicContact CG-CD1 4.42Å; L330-L364 HydrophobicContact CD1-CD1 3.67Å; W360-L364 WeakPolarHBondContact O-CB 3.03Å; W360-L364 VanDerWaalsContact O-CG 3.31Å; W360-L364 WeakPolarHBondContact O-CG 3.42Å; W360-L364 PolarHBondContact O-N 3.15Å; V361-L364 PolarHBondContact O-N 2.93Å; W362-L364 VanDerWaalsContact C-N 3.31Å; W362-L364 PolarHBondContact O-N 3.48Å; L364-I367 PolarHBondContact O-N 2.78Å; L364-H368 WeakPolarHBondContact O-CB 3.37Å; L364-H368 PolarHBondContact O-N 3.48Å
365L93.3Very high91.2Very high15 Ų1559 Ų598%0.07928%0.276CS..Hα-helixtrans-63.7-39175.9-80.1169.9000112.6C236 L327 V361 W362 I367 H368 C369 F372C236-L365 HydrophobicContact CB-CD1 3.85Å; L327-L365 HydrophobicContact CD1-CD2 3.96Å; L327-L365 HydrophobicContact CD1-CG 4.27Å; L327-L365 HydrophobicContact CD2-CD2 4.41Å; L327-L365 HydrophobicContact CD2-CG 4.04Å; V361-L365 HydrophobicContact CG1-CD1 3.88Å; V361-L365 HydrophobicContact CG1-CG 4.35Å; V361-L365 WeakPolarHBondContact O-CB 3.31Å; V361-L365 VanDerWaalsContact O-CG 3.25Å; V361-L365 WeakPolarHBondContact O-CG 3.3Å; V361-L365 PolarHBondContact O-N 2.97Å; W362-L365 PolarHBondContact O-N 3.11Å; L365-I367 VanDerWaalsContact C-N 3.33Å; L365-H368 PolarHBondContact O-N 2.84Å; L365-C369 PolarHBondContact O-N 3.05Å; L365-F372 HydrophobicContact CB-CD1 3.73Å; L365-F372 HydrophobicContact CB-CE1 3.68Å; L365-F372 HydrophobicContact CB-CG 4.27Å; L365-F372 HydrophobicContact CB-CZ 4.19Å; L365-F372 HydrophobicContact CD1-CE1 4.24Å; L365-F372 HydrophobicContact CD1-CE2 4.38Å; L365-F372 HydrophobicContact CD1-CZ 3.95Å
366I92Very high91.3Very high69 Ų6958.4 Ų58.435%0.35427%0.273SS..Hα-helixtrans-62.9-41.2175.4-68.3168.3000110.7W362 I363 F372 F376W362-I366 WeakPolarHBondContact O-CG1 3.07Å; W362-I366 PolarHBondContact O-N 3.4Å; I363-I366 PolarHBondContact O-N 2.91Å; I366-F372 HydrophobicContact CG1-CD1 3.83Å; I366-F372 HydrophobicContact CG1-CE1 4.23Å; I366-F376 HydrophobicContact CD1-CD1 4Å; I366-F376 HydrophobicContact CD1-CE1 4.19Å
367I91.2Very high91.4Very high61 Ų6159.6 Ų59.631%0.31328%0.282SS..Hα-helixtrans-71.2-41.6177.6-62.6168.1000111V316 T323 I363 L364 L365V316-I367 HydrophobicContact CB-CG2 4.31Å; V316-I367 HydrophobicContact CG2-CG2 4.17Å; T323-I367 HydrophobicContact CG2-CG2 4.01Å; I363-I367 HydrophobicContact CG2-CD1 4.15Å; I363-I367 WeakPolarHBondContact O-CG1 3.42Å; I363-I367 PolarHBondContact O-N 3.06Å; L364-I367 PolarHBondContact O-N 2.78Å; L365-I367 VanDerWaalsContact C-N 3.33Å
368H90.6Very high91.5Very high39 Ų3963.6 Ų63.618%0.18131%0.306CS..Hα-helixtrans-68-41.7-175.9-18076.4000112.7A320 T323 G324 L327 L364 L365A320-H368 PolarHBondContact O-CE1 2.91Å; A320-H368 PolarHBondContact O-ND1 2.71Å; T323-H368 PolarHBondContact OG1-ND1 2.79Å; G324-H368 PolarHBondContact N-ND1 2.72Å; L327-H368 HydrophobicContact CD1-CB 3.81Å; L364-H368 WeakPolarHBondContact O-CB 3.37Å; L364-H368 PolarHBondContact O-N 3.48Å; L365-H368 PolarHBondContact O-N 2.84Å
369C86.4Confident91.5Very high28 Ų2862.3 Ų62.319%0.18930%0.304CS..  trans-120.5114.8-172.5-179.90000112.5N233 L365 N371 F372N233-C369 PolarHBondContact OD1-SG 3.32Å; L365-C369 PolarHBondContact O-N 3.05Å; C369-N371 PolarHBondContact O-N 2.9Å; C369-F372 HydrophobicContact CB-CB 3.83Å; C369-F372 PolarHBondContact O-N 3.37Å; C369-F372 VanDerWaalsContact O-N 3.12Å
370A82.9Confident91.6Very high32 Ų3259 Ų5926%0.26429%0.29SS..THydrogen-bonded Turntrans-54.8-28.6-179.100000115W315 W373W315-A370 HydrophobicContact CB-CB 3.76Å; W315-A370 HydrophobicContact CD2-CB 3.9Å; W315-A370 HydrophobicContact CE3-CB 3.77Å; W315-A370 HydrophobicContact CG-CB 3.92Å; A370-W373 PolarHBondContact O-NE1 3.41Å; A370-W373 VanDerWaalsContact O-NE1 3.08Å
371N87.6Confident91.6Very high76 Ų7657.6 Ų57.641%0.40629%0.288SS..THydrogen-bonded Turntrans-103.8-5.5-175.4-72.9-46.5000113.3C369 W373 K374C369-N371 PolarHBondContact O-N 2.9Å; N371-W373 VanDerWaalsContact C-N 3.29Å; N371-W373 PolarHBondContact O-N 3.14Å; N371-K374 WeakPolarHBondContact O-CB 3.37Å; N371-K374 PolarHBondContact O-N 3.18Å; N371-K374 PolarHBondContact OD1-NZ 3.42Å
372F90.4Very high91.6Very high0 Ų059.7 Ų59.70%030%0.301CS..Hα-helixtrans-64.5-34.8-175.1-179.1-108.4000112.3N233 C236 L365 I366 C369 K374 W375 F376N233-F372 HydrophobicContact CB-CD2 4.4Å; C236-F372 HydrophobicContact CB-CE2 3.91Å; C236-F372 HydrophobicContact CB-CZ 4.19Å; L365-F372 HydrophobicContact CB-CD1 3.73Å; L365-F372 HydrophobicContact CB-CE1 3.68Å; L365-F372 HydrophobicContact CB-CG 4.27Å; L365-F372 HydrophobicContact CB-CZ 4.19Å; L365-F372 HydrophobicContact CD1-CE1 4.24Å; L365-F372 HydrophobicContact CD1-CE2 4.38Å; L365-F372 HydrophobicContact CD1-CZ 3.95Å; I366-F372 HydrophobicContact CG1-CD1 3.83Å; I366-F372 HydrophobicContact CG1-CE1 4.23Å; C369-F372 HydrophobicContact CB-CB 3.83Å; C369-F372 PolarHBondContact O-N 3.37Å; C369-F372 VanDerWaalsContact O-N 3.12Å; F372-K374 PolarHBondContact O-N 3.45Å; F372-K374 VanDerWaalsContact O-N 3.14Å; F372-W375 WeakPolarHBondContact O-CB 3.46Å; F372-W375 PolarHBondContact O-N 2.95Å; F372-F376 HydrophobicContact CD1-CB 4.26Å; F372-F376 HydrophobicContact CE1-CB 3.92Å; F372-F376 AromaticContact CE1-CD2 3.98Å; F372-F376 HydrophobicContact CE1-CD2 3.98Å; F372-F376 HydrophobicContact CE1-CG 4.07Å; F372-F376 HydrophobicContact CZ-CB 4.3Å; F372-F376 HydrophobicContact CZ-CD2 4.11Å; F372-F376 PolarHBondContact O-N 3.33Å
373W90.4Very high91.6Very high137 Ų13759.1 Ų59.152%0.51930%0.299SS..Hα-helixtrans-56.6-33.3178.272.2-92.7000113A370 N371 W375 F376 V377A370-W373 PolarHBondContact O-NE1 3.41Å; A370-W373 VanDerWaalsContact O-NE1 3.08Å; N371-W373 VanDerWaalsContact C-N 3.29Å; N371-W373 PolarHBondContact O-N 3.14Å; W373-W375 PolarHBondContact O-N 3Å; W373-F376 PolarHBondContact O-N 3.34Å; W373-F376 VanDerWaalsContact O-N 3.15Å; W373-V377 HydrophobicContact CE3-CG2 4.02Å; W373-V377 VanDerWaalsContact O-CG2 3.27Å; W373-V377 WeakPolarHBondContact O-CG2 3.42Å; W373-V377 PolarHBondContact O-N 2.93Å
374K92.5Very high91.6Very high124 Ų12460.1 Ų60.154%0.53931%0.305SS..Hα-helixtrans-62.2-34.4177.8-62174.5179.41660112.1N371 F372N371-K374 WeakPolarHBondContact O-CB 3.37Å; N371-K374 PolarHBondContact O-N 3.18Å; N371-K374 PolarHBondContact OD1-NZ 3.42Å; F372-K374 PolarHBondContact O-N 3.45Å; F372-K374 VanDerWaalsContact O-N 3.14Å
375W92.1Very high91.5Very high83 Ų8363.1 Ų63.131%0.31432%0.321SS..Hα-helixtrans-80.7-34.4175.8-63.288.1000111.7N233 F234 T237 F372 W373 P379N233-W375 HydrophobicContact CB-CG 4.29Å; F234-W375 HydrophobicContact CB-CZ3 4.46Å; F234-W375 HydrophobicContact CD2-CZ3 4.22Å; T237-W375 HydrophobicContact CG2-CB 4.46Å; T237-W375 VanDerWaalsContact CG2-O 3.22Å; T237-W375 WeakPolarHBondContact CG2-O 3.36Å; T237-W375 WeakPolarHBondContact OG1-CB 3.5Å; F372-W375 WeakPolarHBondContact O-CB 3.46Å; F372-W375 PolarHBondContact O-N 2.95Å; W373-W375 PolarHBondContact O-N 3Å; W375-P379 WeakPolarHBondContact O-CD 3.39Å; W375-P379 WeakPolarHBondContact O-CG 3.37Å
376F93.7Very high91.4Very high35 Ų3562.8 Ų62.815%0.15432%0.319CS..Hα-helixtrans-83.3-32.6-170.8-173.3-103000114.8M240 W362 I366 F372 W373 V378 G380M240-F376 HydrophobicContact CE-CD2 4.34Å; M240-F376 HydrophobicContact CE-CE2 4.15Å; M240-F376 HydrophobicContact SD-CE2 4.07Å; W362-F376 HydrophobicContact CB-CE2 4.22Å; W362-F376 HydrophobicContact CB-CZ 4.25Å; W362-F376 AromaticContact CD2-CE2 3.76Å; W362-F376 HydrophobicContact CD2-CE2 3.76Å; W362-F376 HydrophobicContact CD2-CZ 4.06Å; W362-F376 AromaticContact CE3-CE2 3.98Å; W362-F376 HydrophobicContact CE3-CE2 3.98Å; W362-F376 AromaticContact CE3-CZ 3.87Å; W362-F376 HydrophobicContact CE3-CZ 3.87Å; W362-F376 AromaticContact CG-CE2 3.86Å; W362-F376 HydrophobicContact CG-CE2 3.86Å; W362-F376 HydrophobicContact CG-CZ 4.24Å; I366-F376 HydrophobicContact CD1-CD1 4Å; I366-F376 HydrophobicContact CD1-CE1 4.19Å; F372-F376 HydrophobicContact CD1-CB 4.26Å; F372-F376 HydrophobicContact CE1-CB 3.92Å; F372-F376 AromaticContact CE1-CD2 3.98Å; F372-F376 HydrophobicContact CE1-CD2 3.98Å; F372-F376 HydrophobicContact CE1-CG 4.07Å; F372-F376 HydrophobicContact CZ-CB 4.3Å; F372-F376 HydrophobicContact CZ-CD2 4.11Å; F372-F376 PolarHBondContact O-N 3.33Å; W373-F376 PolarHBondContact O-N 3.34Å; W373-F376 VanDerWaalsContact O-N 3.15Å; F376-V378 PolarHBondContact O-N 3.32Å; F376-G380 VanDerWaalsContact O-CA 3.29Å; F376-G380 WeakPolarHBondContact O-CA 3.28Å; F376-G380 PolarHBondContact O-N 3.31Å
377V93.2Very high91.2Very high81 Ų8163.3 Ų63.349%0.49132%0.319SS..Hα-helixtrans-56.2-54.2-169.3163.50000113.2W373 F381W373-V377 HydrophobicContact CE3-CG2 4.02Å; W373-V377 VanDerWaalsContact O-CG2 3.27Å; W373-V377 WeakPolarHBondContact O-CG2 3.42Å; W373-V377 PolarHBondContact O-N 2.93Å; V377-F381 VanDerWaalsContact O-CB 3.23Å; V377-F381 WeakPolarHBondContact O-CB 3.5Å; V377-F381 PolarHBondContact O-N 2.83Å
378V93.5Very high91.1Very high105 Ų10565.2 Ų65.264%0.63633%0.329SS*.Hα-helixtrans-68.1-53.6-176.5174.40000111.3F376 G380 F381 V382F376-V378 PolarHBondContact O-N 3.32Å; V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 3.44Å; V378-F381 PolarHBondContact O-N 2.82Å; V378-V382 WeakPolarHBondContact O-CG2 3.25Å; V378-V382 PolarHBondContact O-N 3.31Å; V378-V382 VanDerWaalsContact O-N 3.1Å
379P93.7Very high90.9Very high28 Ų2866.3 Ų66.318%0.18234%0.338CS..Hα-helixtrans-64.3-35.7179.5-25.640.2000113T237 M240 V241 W375 V382 F383T237-P379 HydrophobicContact CG2-CB 3.91Å; T237-P379 HydrophobicContact CG2-CG 3.65Å; M240-P379 HydrophobicContact CE-CB 3.37Å; M240-P379 WeakPolarHBondContact CE-O 3.41Å; V241-P379 HydrophobicContact CG2-CB 3.98Å; V241-P379 HydrophobicContact CG2-CG 4.45Å; W375-P379 WeakPolarHBondContact O-CD 3.39Å; W375-P379 WeakPolarHBondContact O-CG 3.37Å; P379-V382 PolarHBondContact O-N 2.99Å; P379-F383 WeakPolarHBondContact O-CB 3.38Å; P379-F383 PolarHBondContact O-N 2.93Å
380G93.3Very high90.7Very high10 Ų1065.3 Ų65.310%0.10333%0.332CS..Hα-helixtrans-68.9-39.1179.600000112.1F376 V378 F383 L384F376-G380 VanDerWaalsContact O-CA 3.29Å; F376-G380 WeakPolarHBondContact O-CA 3.28Å; F376-G380 PolarHBondContact O-N 3.31Å; V378-G380 VanDerWaalsContact C-N 3.32Å; V378-G380 PolarHBondContact O-N 3.44Å; G380-F383 PolarHBondContact O-N 2.81Å; G380-L384 WeakPolarHBondContact O-CB 3.42Å; G380-L384 PolarHBondContact O-N 3.5Å
381F93.8Very high90.6Very high137 Ų13768 Ų6860%0.60134%0.341SS*.Hα-helixtrans-63.8-46.2172.4179.3-101.2000111.8V377 V378 F383 L384 L385V377-F381 VanDerWaalsContact O-CB 3.23Å; V377-F381 WeakPolarHBondContact O-CB 3.5Å; V377-F381 PolarHBondContact O-N 2.83Å; V378-F381 PolarHBondContact O-N 2.82Å; F381-F383 VanDerWaalsContact C-N 3.32Å; F381-F383 PolarHBondContact O-N 2.74Å; F381-L384 PolarHBondContact O-N 3.04Å; F381-L385 HydrophobicContact CE1-CD1 4.23Å; F381-L385 HydrophobicContact CZ-CD1 4.28Å; F381-L385 WeakPolarHBondContact O-CB 3.09Å; F381-L385 PolarHBondContact O-N 2.95Å
382V94.6Very high90.4Very high53 Ų5366.4 Ų66.432%0.32134%0.339SS..Hα-helixtrans-61.3-41.9176.3174.80000111.1L244 V378 P379 L385 E386L244-V382 HydrophobicContact CD1-CG1 3.96Å; L244-V382 HydrophobicContact CD2-CG1 4.22Å; V378-V382 WeakPolarHBondContact O-CG2 3.25Å; V378-V382 PolarHBondContact O-N 3.31Å; V378-V382 VanDerWaalsContact O-N 3.1Å; P379-V382 PolarHBondContact O-N 2.99Å; V382-L385 PolarHBondContact O-N 2.95Å; V382-E386 PolarHBondContact O-N 3.33Å
383F92.4Very high89.9Confident22 Ų2268.7 Ų68.710%0.09635%0.353CS..Hα-helixtrans-60.7-46.3175.2-178.3-91.5000112M240 L244 Y358 W362 P379 G380 F381 L385 E386 K387M240-F383 HydrophobicContact CE-CB 4.46Å; M240-F383 HydrophobicContact CG-CB 4.07Å; M240-F383 HydrophobicContact CG-CD2 3.49Å; M240-F383 VanDerWaalsContact CG-CD2 3.49Å; M240-F383 HydrophobicContact CG-CE2 4.07Å; M240-F383 HydrophobicContact CG-CG 3.84Å; M240-F383 HydrophobicContact SD-CB 3.64Å; M240-F383 HydrophobicContact SD-CD1 4.27Å; M240-F383 HydrophobicContact SD-CD2 4.05Å; M240-F383 HydrophobicContact SD-CG 3.73Å; L244-F383 VanDerWaalsContact CD2-CA 3.45Å; L244-F383 HydrophobicContact CD2-CB 3.8Å; L244-F383 HydrophobicContact CD2-CD2 3.85Å; L244-F383 HydrophobicContact CD2-CG 4.29Å; Y358-F383 HydrophobicContact CE2-CE1 4.3Å; Y358-F383 HydrophobicContact CE2-CZ 4.33Å; W362-F383 HydrophobicContact CH2-CD1 4.13Å; W362-F383 AromaticContact CH2-CE1 3.82Å; W362-F383 HydrophobicContact CH2-CE1 3.82Å; W362-F383 HydrophobicContact CH2-CE2 4.39Å; W362-F383 AromaticContact CH2-CZ 3.95Å; W362-F383 HydrophobicContact CH2-CZ 3.95Å; W362-F383 HydrophobicContact CZ3-CD1 4.12Å; W362-F383 AromaticContact CZ3-CE1 3.89Å; W362-F383 HydrophobicContact CZ3-CE1 3.89Å; W362-F383 HydrophobicContact CZ3-CZ 4.45Å; P379-F383 WeakPolarHBondContact O-CB 3.38Å; P379-F383 PolarHBondContact O-N 2.93Å; G380-F383 PolarHBondContact O-N 2.81Å; F381-F383 VanDerWaalsContact C-N 3.32Å; F381-F383 PolarHBondContact O-N 2.74Å; F383-L385 PolarHBondContact O-N 3.48Å; F383-E386 PolarHBondContact O-N 3.48Å; F383-K387 HydrophobicContact CD1-CG 4.26Å; F383-K387 HydrophobicContact CE1-CG 3.92Å; F383-K387 HydrophobicContact CZ-CD 4.45Å; F383-K387 VanDerWaalsContact CZ-CE 3.42Å; F383-K387 HydrophobicContact CZ-CG 4.2Å; F383-K387 WeakPolarHBondContact O-CG 3.13Å; F383-K387 PolarHBondContact O-N 3.41Å
384L91.7Very high89.2Confident99 Ų9962.5 Ų62.552%0.51833%0.33SS..Hα-helixtrans-61.3-45.3177.5-178.464.1000111.4G380 F381 E386 K387 I388G380-L384 WeakPolarHBondContact O-CB 3.42Å; G380-L384 PolarHBondContact O-N 3.5Å; F381-L384 PolarHBondContact O-N 3.04Å; L384-E386 PolarHBondContact O-N 3.16Å; L384-K387 PolarHBondContact O-N 2.82Å; L384-I388 HydrophobicContact CD1-CD1 4.18Å; L384-I388 HydrophobicContact CD1-CG1 4.42Å; L384-I388 HydrophobicContact CD2-CD1 4.49Å; L384-I388 HydrophobicContact CG-CD1 3.88Å; L384-I388 HydrophobicContact CG-CG1 4.49Å; L384-I388 WeakPolarHBondContact O-CG1 3.41Å; L384-I388 PolarHBondContact O-N 3.32Å
385L92.3Very high88.4Confident91 Ų9165.2 Ų65.248%0.47634%0.337SS..Hα-helixtrans-61.9-43.5178.1-171.8140.8000111.4F381 V382 F383 K387 I388 V389F381-L385 HydrophobicContact CE1-CD1 4.23Å; F381-L385 HydrophobicContact CZ-CD1 4.28Å; F381-L385 WeakPolarHBondContact O-CB 3.09Å; F381-L385 PolarHBondContact O-N 2.95Å; V382-L385 PolarHBondContact O-N 2.95Å; F383-L385 PolarHBondContact O-N 3.48Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 2.88Å; L385-I388 PolarHBondContact O-N 3.48Å; L385-V389 HydrophobicContact CD2-CG2 4.22Å; L385-V389 WeakPolarHBondContact O-CB 3.36Å; L385-V389 VanDerWaalsContact O-CG2 3.3Å; L385-V389 WeakPolarHBondContact O-CG2 3.31Å; L385-V389 PolarHBondContact O-N 2.96Å
386E90.5Very high87.3Confident9 Ų967.6 Ų67.64%0.04235%0.354CS..Hα-helixtrans-58.3-42.9174.6-172.8178.2107.700111.6L244 R245 R246 C247 V382 F383 L384 G390L244-E386 WeakPolarHBondContact CA-OE1 3.45Å; L244-E386 WeakPolarHBondContact CA-OE2 3.21Å; R245-E386 PolarHBondContact N-OE1 3.44Å; R245-E386 PolarHBondContact N-OE2 3.33Å; R246-E386 HydrophobicContact CB-CG 3.93Å; R246-E386 WeakPolarHBondContact CB-OE2 3.46Å; R246-E386 HydrophobicContact CG-CG 4.02Å; R246-E386 PolarHBondContact N-OE2 3.19Å; C247-E386 PolarHBondContact N-OE2 2.91Å; C247-E386 PolarHBondContact SG-OE2 2.83Å; V382-E386 PolarHBondContact O-N 3.33Å; F383-E386 PolarHBondContact O-N 3.48Å; L384-E386 PolarHBondContact O-N 3.16Å; E386-G390 PolarHBondContact O-N 2.86Å
387K88.9Confident85.7Confident79 Ų7966.7 Ų66.734%0.34335%0.354SS..Hα-helixtrans-67.9-41.7178-66.3-56177.3-165.70112.9F383 L384 L385 G390 I391F383-K387 HydrophobicContact CD1-CG 4.26Å; F383-K387 HydrophobicContact CE1-CG 3.92Å; F383-K387 HydrophobicContact CZ-CD 4.45Å; F383-K387 VanDerWaalsContact CZ-CE 3.42Å; F383-K387 HydrophobicContact CZ-CG 4.2Å; F383-K387 WeakPolarHBondContact O-CG 3.13Å; F383-K387 PolarHBondContact O-N 3.41Å; L384-K387 PolarHBondContact O-N 2.82Å; L385-K387 VanDerWaalsContact C-N 3.31Å; L385-K387 PolarHBondContact O-N 2.88Å; K387-G390 PolarHBondContact O-N 3.21Å; K387-I391 VanDerWaalsContact O-CG1 3.3Å; K387-I391 WeakPolarHBondContact O-CG1 3.33Å; K387-I391 PolarHBondContact O-N 2.79Å
388I89.3Confident84.4Confident102 Ų10263.9 Ų63.952%0.52334%0.342SS..Hα-helixtrans-62.4-47.6177-69.1168.6000110.1L384 L385 G390 I391 A392L384-I388 HydrophobicContact CD1-CD1 4.18Å; L384-I388 HydrophobicContact CD1-CG1 4.42Å; L384-I388 HydrophobicContact CD2-CD1 4.49Å; L384-I388 HydrophobicContact CG-CD1 3.88Å; L384-I388 HydrophobicContact CG-CG1 4.49Å; L384-I388 WeakPolarHBondContact O-CG1 3.41Å; L384-I388 PolarHBondContact O-N 3.32Å; L385-I388 PolarHBondContact O-N 3.48Å; I388-G390 VanDerWaalsContact C-N 3.32Å; I388-G390 PolarHBondContact O-N 2.76Å; I388-I391 PolarHBondContact O-N 3.01Å; I388-A392 WeakPolarHBondContact O-CB 3.38Å; I388-A392 PolarHBondContact O-N 2.97Å
389V86.3Confident83.9Confident61 Ų6159.4 Ų59.437%0.3732%0.315SS..Hα-helixtrans-60-43.1176.4172.30000110.7L385 A392 V393L385-V389 HydrophobicContact CD2-CG2 4.22Å; L385-V389 WeakPolarHBondContact O-CB 3.36Å; L385-V389 VanDerWaalsContact O-CG2 3.3Å; L385-V389 WeakPolarHBondContact O-CG2 3.31Å; L385-V389 PolarHBondContact O-N 2.96Å; V389-A392 PolarHBondContact O-N 3.15Å; V389-V393 HydrophobicContact CG1-CG2 4.21Å; V389-V393 WeakPolarHBondContact O-CB 3.42Å; V389-V393 VanDerWaalsContact O-CG2 3.25Å; V389-V393 WeakPolarHBondContact O-CG2 3.49Å; V389-V393 PolarHBondContact O-N 2.84Å
390G80.9Confident83.7Confident7 Ų762.5 Ų62.57%0.07232%0.323CS..Hα-helixtrans-62.5-43.8177.800000113.7E386 K387 I388 S394E386-G390 PolarHBondContact O-N 2.86Å; K387-G390 PolarHBondContact O-N 3.21Å; I388-G390 VanDerWaalsContact C-N 3.32Å; I388-G390 PolarHBondContact O-N 2.76Å; G390-S394 WeakPolarHBondContact O-CB 3.13Å; G390-S394 PolarHBondContact O-N 3.37Å; G390-S394 PolarHBondContact O-OG 3.41Å
391I82.1Confident83.6Confident89 Ų8962 Ų6246%0.45632%0.318SS..Hα-helixtrans-66.8-42.3176.7-66.9167000110.8K387 I388 S394 R395K387-I391 VanDerWaalsContact O-CG1 3.3Å; K387-I391 WeakPolarHBondContact O-CG1 3.33Å; K387-I391 PolarHBondContact O-N 2.79Å; I388-I391 PolarHBondContact O-N 3.01Å; I391-S394 WeakPolarHBondContact CA-OG 3.19Å; I391-S394 PolarHBondContact O-OG 3.14Å; I391-R395 HydrophobicContact CG2-CG 4.42Å; I391-R395 WeakPolarHBondContact O-CB 2.9Å; I391-R395 VanDerWaalsContact O-CG 3.32Å; I391-R395 WeakPolarHBondContact O-CG 3.37Å; I391-R395 PolarHBondContact O-N 3.07Å
392A82.6Confident83.4Confident43 Ų4358.3 Ų58.336%0.35531%0.307SS..Hα-helixtrans-61.5-52.1177.800000111I388 V389 S394 R395 I396I388-A392 WeakPolarHBondContact O-CB 3.38Å; I388-A392 PolarHBondContact O-N 2.97Å; V389-A392 PolarHBondContact O-N 3.15Å; A392-S394 PolarHBondContact O-N 3.2Å; A392-R395 PolarHBondContact O-N 3.35Å; A392-I396 HydrophobicContact CB-CD1 4.31Å; A392-I396 WeakPolarHBondContact O-CB 3.41Å; A392-I396 WeakPolarHBondContact O-CD1 3.3Å; A392-I396 WeakPolarHBondContact O-CG1 3.48Å; A392-I396 PolarHBondContact O-N 3.37Å
393V79.4Confident83.2Confident48 Ų4857.9 Ų57.929%0.29130%0.301SS..Hα-helixtrans-60.6-43.5179.91720000111.6V389 R395 G397 F421V389-V393 HydrophobicContact CG1-CG2 4.21Å; V389-V393 WeakPolarHBondContact O-CB 3.42Å; V389-V393 VanDerWaalsContact O-CG2 3.25Å; V389-V393 WeakPolarHBondContact O-CG2 3.49Å; V389-V393 PolarHBondContact O-N 2.84Å; V393-R395 VanDerWaalsContact C-N 3.33Å; V393-R395 PolarHBondContact O-N 3.36Å; V393-G397 PolarHBondContact O-N 3.48Å; V393-F421 HydrophobicContact CG1-CE2 4.44Å
394S77.2Confident83.2Confident6 Ų656.9 Ų56.94%0.04230%0.297CS..Hα-helixtrans-66.5-32.2179.561.70000113.3G390 I391 A392 Y583 V584G390-S394 WeakPolarHBondContact O-CB 3.13Å; G390-S394 PolarHBondContact O-N 3.37Å; G390-S394 PolarHBondContact O-OG 3.41Å; I391-S394 WeakPolarHBondContact CA-OG 3.19Å; I391-S394 PolarHBondContact O-OG 3.14Å; A392-S394 PolarHBondContact O-N 3.2Å; S394-Y583 WeakPolarHBondContact O-CD1 3.36Å; S394-V584 WeakPolarHBondContact CA-O 3.47Å; S394-V584 WeakPolarHBondContact CB-O 3.33Å
395R75.3Confident83.1Confident182 Ų18253.4 Ų53.469%0.68728%0.279SS*.Hα-helixtrans-85.4-33.8-180-71.8-176.5178.3-171.41.5113.9I391 A392 V393 G397I391-R395 HydrophobicContact CG2-CG 4.42Å; I391-R395 WeakPolarHBondContact O-CB 2.9Å; I391-R395 VanDerWaalsContact O-CG 3.32Å; I391-R395 WeakPolarHBondContact O-CG 3.37Å; I391-R395 PolarHBondContact O-N 3.07Å; A392-R395 PolarHBondContact O-N 3.35Å; V393-R395 VanDerWaalsContact C-N 3.33Å; V393-R395 PolarHBondContact O-N 3.36Å; R395-G397 VanDerWaalsContact C-N 3.26Å; R395-G397 PolarHBondContact O-N 3.37Å
396I68.8Low82.9Confident133 Ų13349.8 Ų49.868%0.68226%0.26SS*.Hα-helixtrans-64.7-34.3178.2-71.2163.4000110.7A392 G398A392-I396 HydrophobicContact CB-CD1 4.31Å; A392-I396 WeakPolarHBondContact O-CB 3.41Å; A392-I396 WeakPolarHBondContact O-CD1 3.3Å; A392-I396 WeakPolarHBondContact O-CG1 3.48Å; A392-I396 PolarHBondContact O-N 3.37Å; I396-G398 PolarHBondContact O-N 2.92Å
397G59.8Low82.7Confident15 Ų1551.1 Ų51.116%0.15527%0.268CS..THydrogen-bonded Turntrans-85.41.1-172.300000117.3V393 R395 L399V393-G397 PolarHBondContact O-N 3.48Å; R395-G397 VanDerWaalsContact C-N 3.26Å; R395-G397 PolarHBondContact O-N 3.37Å; G397-L399 WeakPolarHBondContact O-CD2 3.41Å; G397-L399 WeakPolarHBondContact O-CG 3.18Å; G397-L399 PolarHBondContact O-N 2.93Å
398G65.3Low82.3Confident23 Ų2349.4 Ų49.424%0.23726%0.264CS..  trans8.682.2-177.400000114.6I396 Y400I396-G398 PolarHBondContact O-N 2.92Å; G398-Y400 WeakPolarHBondContact O-CD2 3.38Å; G398-Y400 WeakPolarHBondContact O-CE2 3.24Å
399L83.8Confident81.8Confident10 Ų1046.4 Ų46.45%0.05225%0.253CS..EExtended strand (participates in β ladder)trans-86146.8-169.2-65.3164.6000110.2G397 I416 R417 P419 M457 K581 C582 V584G397-L399 WeakPolarHBondContact O-CD2 3.41Å; G397-L399 WeakPolarHBondContact O-CG 3.18Å; G397-L399 PolarHBondContact O-N 2.93Å; L399-I416 HydrophobicContact CB-CG2 4.06Å; L399-R417 WeakPolarHBondContact CD2-O 3.38Å; L399-P419 VanDerWaalsContact CD2-CD 3.47Å; L399-P419 HydrophobicContact CD2-CG 3.81Å; L399-M457 HydrophobicContact CD1-CE 3.95Å; L399-M457 HydrophobicContact CD2-CE 4.49Å; L399-K581 WeakPolarHBondContact O-CA 3.17Å; L399-C582 VanDerWaalsContact CB-SG 3.55Å; L399-C582 PolarHBondContact N-O 2.97Å; L399-C582 PolarHBondContact O-N 2.75Å; L399-C582 VanDerWaalsContact O-O 3.1Å; L399-C582 PolarHBondContact O-SG 2.84Å; L399-V584 HydrophobicContact CD1-CB 3.34Å; L399-V584 HydrophobicContact CD1-CG1 4.41Å; L399-V584 HydrophobicContact CD1-CG2 3.33Å
400Y89.4Confident81.8Confident93 Ų9349 Ų4937%0.36526%0.259SS..EExtended strand (participates in β ladder)trans-122.9130.3179.8-65-85.8000109.5G398 V402 R417 N579 I580 K581G398-Y400 WeakPolarHBondContact O-CD2 3.38Å; G398-Y400 WeakPolarHBondContact O-CE2 3.24Å; Y400-V402 PolarHBondContact O-N 3.09Å; Y400-R417 PolarHBondContact O-N 3.3Å; Y400-N579 WeakPolarHBondContact CB-OD1 3.45Å; Y400-N579 WeakPolarHBondContact CD1-OD1 3.43Å; Y400-N579 VanDerWaalsContact CG-OD1 3.27Å; Y400-I580 WeakPolarHBondContact CA-O 3.45Å; Y400-K581 HydrophobicContact CD1-CB 4.45Å; Y400-K581 HydrophobicContact CE1-CB 4.19Å; Y400-K581 HydrophobicContact CE1-CG 4.41Å
401I90.7Very high82.2Confident0 Ų048.7 Ų48.70%026%0.256CS..EExtended strand (participates in β ladder)trans-74.2119.4164.9-52.8174.4000105.6V404 L414 I416 I434 C578 N579 I580 C582I401-V404 HydrophobicContact CG2-CG2 3.54Å; I401-L414 HydrophobicContact CG2-CD2 4.32Å; I401-I416 HydrophobicContact CG1-CG1 4.34Å; I401-I434 HydrophobicContact CD1-CD1 3.82Å; I401-I434 HydrophobicContact CD1-CG1 4.22Å; I401-I434 HydrophobicContact CD1-CG2 4.45Å; I401-C578 CarbonylContact O-C 3.58Å; I401-C578 VanDerWaalsContact O-C 3.31Å; I401-N579 WeakPolarHBondContact O-CA 3.36Å; I401-I580 HydrophobicContact CB-CB 4.43Å; I401-I580 HydrophobicContact CD1-CB 4.49Å; I401-I580 HydrophobicContact CD1-CG2 4.38Å; I401-I580 PolarHBondContact N-O 3.15Å; I401-I580 PolarHBondContact O-N 3.15Å; I401-C582 HydrophobicContact CD1-CB 4.32Å; I401-C582 HydrophobicContact CG1-CB 4.18Å
402V90.3Very high82.7Confident60 Ų6044.5 Ų44.536%0.36423%0.234SC..EExtended strand (participates in β ladder)trans-95.6-36.8-174.5-176.40000110.6Y400 V415 R417 F577 C578Y400-V402 PolarHBondContact O-N 3.09Å; V402-V415 PolarHBondContact N-O 2.87Å; V402-R417 HydrophobicContact CG2-CB 3.94Å; V402-F577 WeakPolarHBondContact O-CA 3.36Å; V402-C578 CarbonylContact C-O 3.41Å; V402-C578 VanDerWaalsContact CA-O 3.3Å; V402-C578 WeakPolarHBondContact CA-O 3.48Å; V402-C578 PolarHBondContact O-N 3.39Å
403E91.4Very high83.2Confident43 Ų4343.3 Ų43.320%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-145.1143.1-176.4178-167.2151.500110N405 V415 H575 R576 F577E403-N405 PolarHBondContact OE1-ND2 3.36Å; E403-N405 PolarHBondContact OE1-OD1 3.32Å; E403-V415 HydrophobicContact CB-CB 3.92Å; E403-V415 HydrophobicContact CB-CG2 4.06Å; E403-V415 HydrophobicContact CG-CG2 4.37Å; E403-V415 PolarHBondContact N-O 3.42Å; E403-V415 PolarHBondContact O-N 3.38Å; E403-H575 IonicContact OE1-CE1 3.78Å; E403-H575 PolarHBondContact OE1-CE1 2.78Å; E403-H575 IonicContact OE1-ND1 3.55Å; E403-H575 PolarHBondContact OE1-ND1 2.95Å; E403-H575 IonicContact OE2-CE1 2.82Å; E403-R576 CarbonylContact C-O 3.56Å; E403-R576 WeakPolarHBondContact CA-O 3.24Å; E403-F577 HydrophobicContact CB-CD1 4.24Å; E403-F577 HydrophobicContact CB-CE1 4.41Å; E403-F577 HydrophobicContact CG-CD1 4.43Å; E403-F577 HydrophobicContact CG-CE1 4.33Å
404V90.6Very high83.9Confident1 Ų141 Ų411%0.00621%0.207CC..EExtended strand (participates in β ladder)trans-132.8125.1176-179.40000109.8I401 T412 H413 L414 F475 R576I401-V404 HydrophobicContact CG2-CG2 3.54Å; V404-T412 HydrophobicContact CG1-CG2 3.58Å; V404-H413 VanDerWaalsContact CA-O 3.31Å; V404-H413 WeakPolarHBondContact CA-O 3.39Å; V404-L414 HydrophobicContact CB-CD2 4.47Å; V404-L414 HydrophobicContact CG1-CD2 4.06Å; V404-L414 HydrophobicContact CG2-CD2 3.72Å; V404-F475 HydrophobicContact CB-CD1 4.23Å; V404-F475 HydrophobicContact CB-CE1 4.29Å; V404-F475 HydrophobicContact CB-CG 4.43Å; V404-F475 HydrophobicContact CG1-CB 4.18Å; V404-F475 HydrophobicContact CG1-CD1 4.08Å; V404-F475 HydrophobicContact CG1-CD2 3.86Å; V404-F475 HydrophobicContact CG1-CE1 4.44Å; V404-F475 HydrophobicContact CG1-CE2 4.23Å; V404-F475 HydrophobicContact CG1-CG 3.78Å; V404-F475 HydrophobicContact CG2-CD1 4.25Å; V404-F475 HydrophobicContact CG2-CE1 3.82Å; V404-F475 HydrophobicContact CG2-CE2 4.12Å; V404-F475 HydrophobicContact CG2-CZ 3.75Å; V404-R576 PolarHBondContact N-O 2.94Å; V404-R576 PolarHBondContact O-N 3.11Å
405N89.6Confident84.7Confident26 Ų2641.2 Ų41.214%0.13921%0.208CC..EExtended strand (participates in β ladder)trans-116.6123.7176.6-54.9-20.6000109.4E403 L407 H413 H575E403-N405 PolarHBondContact OE1-ND2 3.36Å; E403-N405 PolarHBondContact OE1-OD1 3.32Å; N405-L407 HydrophobicContact CB-CD2 4.27Å; N405-L407 PolarHBondContact O-N 2.6Å; N405-H413 HydrophobicContact CB-CB 4.15Å; N405-H413 PolarHBondContact N-O 3.49Å; N405-H413 PolarHBondContact O-N 2.93Å; N405-H575 PolarHBondContact OD1-ND1 2.95Å
406L89.8Confident85.5Confident15 Ų1532.5 Ų32.58%0.07918%0.175CC..EExtended strand (participates in β ladder)trans-84.9113171.7-61.4-176.1000108.8T412 Y472 F475 R476 N574L406-T412 HydrophobicContact CD2-CG2 4.14Å; L406-Y472 HydrophobicContact CB-CE2 4.37Å; L406-Y472 HydrophobicContact CD2-CD2 3.9Å; L406-Y472 HydrophobicContact CD2-CE2 3.88Å; L406-F475 HydrophobicContact CD1-CB 4.42Å; L406-F475 HydrophobicContact CD2-CB 4.04Å; L406-F475 HydrophobicContact CG-CB 4.48Å; L406-R476 HydrophobicContact CD1-CB 3.99Å; L406-N574 HydrophobicContact CB-CB 4.32Å; L406-N574 PolarHBondContact N-O 3.12Å
407L85.5Confident86.6Confident38 Ų3834.2 Ų34.220%0.19917%0.173CC..EExtended strand (participates in β ladder)trans-101.6155.9-177.1-58.9179.2000110.4N405 V411 H413 W666N405-L407 HydrophobicContact CB-CD2 4.27Å; N405-L407 PolarHBondContact O-N 2.6Å; L407-V411 WeakPolarHBondContact CA-O 2.92Å; L407-V411 HydrophobicContact CB-CB 4.14Å; L407-V411 PolarHBondContact N-O 2.83Å; L407-V411 PolarHBondContact O-N 2.82Å; L407-H413 HydrophobicContact CD1-CB 3.67Å; L407-H413 HydrophobicContact CG-CB 4.23Å; L407-W666 HydrophobicContact CB-CB 3.82Å; L407-W666 HydrophobicContact CD1-CB 3.63Å; L407-W666 HydrophobicContact CG-CB 4.23Å
408P80.8Confident88Confident43 Ų4335.4 Ų35.428%0.27917%0.173SC..THydrogen-bonded Turntrans-48.2159.5173-25.531.1000113K410 K662 E665P408-K410 PolarHBondContact O-N 2.88Å; P408-K662 HydrophobicContact CB-CB 4.5Å; P408-E665 HydrophobicContact CB-CB 4.34Å; P408-E665 WeakPolarHBondContact CB-OE2 3.36Å; P408-E665 HydrophobicContact CG-CB 3.93Å; P408-E665 WeakPolarHBondContact CG-OE2 3.46Å
409S78.4Confident88.8Confident39 Ų3935.5 Ų35.527%0.27317%0.169SC..THydrogen-bonded Turntrans61.926.5-177.3-55.70000114.8K662 S663S409-K662 VanDerWaalsContact OG-C 3.27Å; S409-K662 PolarHBondContact OG-O 3.42Å; S409-S663 PolarHBondContact OG-N 3.1Å
410K87.2Confident88.7Confident114 Ų11444 Ų4450%0.49621%0.209SC..THydrogen-bonded Turntrans57.844.7179.4-54.9-173.2177.8-174.50113.5P408 S463 Y472P408-K410 PolarHBondContact O-N 2.88Å; K410-S463 VanDerWaalsContact O-CB 3.31Å; K410-S463 WeakPolarHBondContact O-CB 3.37Å; K410-S463 PolarHBondContact O-N 2.93Å; K410-S463 PolarHBondContact O-OG 3.32Å; K410-Y472 VanDerWaalsContact CA-CE2 3.46Å; K410-Y472 HydrophobicContact CB-CD2 4.33Å; K410-Y472 HydrophobicContact CB-CE2 4.09Å; K410-Y472 HydrophobicContact CG-CE1 4.44Å
411V89.4Confident88.3Confident2 Ų245 Ų451%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-100.5130.4176.1177.90000109.2L407 H460 V461 R462 I608L407-V411 WeakPolarHBondContact CA-O 2.92Å; L407-V411 HydrophobicContact CB-CB 4.14Å; L407-V411 PolarHBondContact N-O 2.83Å; L407-V411 PolarHBondContact O-N 2.82Å; V411-H460 HydrophobicContact CG1-CB 4.18Å; V411-V461 CarbonylContact C-O 3.57Å; V411-V461 WeakPolarHBondContact CA-O 3.09Å; V411-R462 HydrophobicContact CG2-CB 4.31Å; V411-R462 HydrophobicContact CG2-CG 4.25Å; V411-I608 HydrophobicContact CG2-CD1 4.29Å
412T92.4Very high88.1Confident0 Ų045.5 Ų45.50%022%0.217CC..EExtended strand (participates in β ladder)trans-101.1115.6171.5-54.20000108.8V404 L406 L414 V461 L471 Y472 F475V404-T412 HydrophobicContact CG1-CG2 3.58Å; L406-T412 HydrophobicContact CD2-CG2 4.14Å; T412-L414 HydrophobicContact CG2-CD2 3.62Å; T412-L414 HydrophobicContact CG2-CG 4.18Å; T412-V461 PolarHBondContact N-O 3.27Å; T412-V461 PolarHBondContact O-N 3.42Å; T412-L471 HydrophobicContact CG2-CD2 4.42Å; T412-Y472 WeakPolarHBondContact OG1-CD2 3.45Å; T412-F475 HydrophobicContact CG2-CD2 4.46Å
413H92.6Very high87.9Confident18 Ų1850.1 Ų50.18%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-88.8118.9170.8174-131.4000109.5V404 N405 L407 W458 L459 H460V404-H413 VanDerWaalsContact CA-O 3.31Å; V404-H413 WeakPolarHBondContact CA-O 3.39Å; N405-H413 HydrophobicContact CB-CB 4.15Å; N405-H413 PolarHBondContact N-O 3.49Å; N405-H413 PolarHBondContact O-N 2.93Å; L407-H413 HydrophobicContact CD1-CB 3.67Å; L407-H413 HydrophobicContact CG-CB 4.23Å; H413-W458 AromaticContact NE2-CD2 3.82Å; H413-W458 AromaticContact NE2-CG 3.58Å; H413-L459 CarbonylContact C-O 3.44Å; H413-L459 WeakPolarHBondContact CA-O 3.49Å; H413-H460 AromaticContact CD2-CD2 3.9Å; H413-H460 AromaticContact CD2-CE1 3.18Å; H413-H460 PolarHBondContact CD2-CE1 3.44Å; H413-H460 AromaticContact CD2-ND1 3.71Å; H413-H460 AromaticContact CD2-NE2 3.3Å; H413-H460 PolarHBondContact CD2-NE2 2.87Å; H413-H460 VanDerWaalsContact CD2-NE2 3.3Å; H413-H460 AromaticContact CG-CE1 4Å; H413-H460 AromaticContact CG-NE2 3.65Å; H413-H460 AromaticContact NE2-CE1 3.61Å; H413-H460 AromaticContact NE2-NE2 3.98Å
414L94Very high87.7Confident0 Ų048.7 Ų48.70%023%0.228CC..EExtended strand (participates in β ladder)trans-108.5121.4179.9-57.1176.1000109.3I401 V404 T412 I416 I432 I434 W458 L459 V461 L471 F475I401-L414 HydrophobicContact CG2-CD2 4.32Å; V404-L414 HydrophobicContact CB-CD2 4.47Å; V404-L414 HydrophobicContact CG1-CD2 4.06Å; V404-L414 HydrophobicContact CG2-CD2 3.72Å; T412-L414 HydrophobicContact CG2-CD2 3.62Å; T412-L414 HydrophobicContact CG2-CG 4.18Å; L414-I416 HydrophobicContact CB-CG1 4.42Å; L414-I432 HydrophobicContact CD1-CD1 4.48Å; L414-I434 HydrophobicContact CD1-CD1 4.27Å; L414-W458 WeakPolarHBondContact O-CA 3.47Å; L414-L459 HydrophobicContact CB-CB 4.31Å; L414-L459 PolarHBondContact N-O 2.91Å; L414-L459 PolarHBondContact O-N 2.77Å; L414-V461 HydrophobicContact CD1-CG2 4.14Å; L414-L471 HydrophobicContact CD1-CD2 4.24Å; L414-F475 HydrophobicContact CD2-CE2 4.46Å
415V93.8Very high87.6Confident10 Ų1054.2 Ų54.26%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-99.6113.4171.3-177.20000108.3V402 E403 T456V402-V415 PolarHBondContact N-O 2.87Å; E403-V415 HydrophobicContact CB-CB 3.92Å; E403-V415 HydrophobicContact CB-CG2 4.06Å; E403-V415 HydrophobicContact CG-CG2 4.37Å; E403-V415 PolarHBondContact N-O 3.42Å; E403-V415 PolarHBondContact O-N 3.38Å; V415-T456 HydrophobicContact CG1-CG2 3.99Å
416I92.6Very high87.6Confident0 Ų053.2 Ų53.20%025%0.247CC..EExtended strand (participates in β ladder)trans-110.4134.4-175.6-50.3174.9000108.6L399 I401 L414 R418 I432 T456 M457 L459L399-I416 HydrophobicContact CB-CG2 4.06Å; I401-I416 HydrophobicContact CG1-CG1 4.34Å; L414-I416 HydrophobicContact CB-CG1 4.42Å; I416-R418 PolarHBondContact O-N 3.33Å; I416-I432 HydrophobicContact CD1-CD1 3.59Å; I416-T456 CarbonylContact O-C 3.59Å; I416-T456 WeakPolarHBondContact O-CA 3.35Å; I416-M457 HydrophobicContact CB-CE 3.82Å; I416-M457 HydrophobicContact CB-CG 3.9Å; I416-M457 HydrophobicContact CD1-CE 4.19Å; I416-M457 HydrophobicContact CG2-CE 3.47Å; I416-M457 VanDerWaalsContact CG2-CE 3.47Å; I416-M457 HydrophobicContact CG2-CG 4.5Å; I416-M457 PolarHBondContact N-O 3.02Å; I416-M457 PolarHBondContact O-N 3Å; I416-L459 HydrophobicContact CD1-CD1 3.68Å; I416-L459 HydrophobicContact CD1-CG 4.09Å
417R90.8Very high87.5Confident169 Ų16952.5 Ų52.564%0.63824%0.243SC*.EExtended strand (participates in β ladder)trans-63.3125.7173.6-172.1173-177.3158.62110L399 Y400 V402L399-R417 WeakPolarHBondContact CD2-O 3.38Å; Y400-R417 PolarHBondContact O-N 3.3Å; V402-R417 HydrophobicContact CG2-CB 3.94Å
418R89.2Confident87.7Confident40 Ų4050.7 Ų50.715%0.15123%0.234CC..PPolyproline II helixtrans-91.7127.8-179.7-177.7-177.1175.7-175-3110I416 F422 F424 P451 Q453 D455I416-R418 PolarHBondContact O-N 3.33Å; R418-F422 HydrophobicContact CG-CB 4.47Å; R418-F422 HydrophobicContact CG-CD1 4.48Å; R418-F422 PolarHBondContact NE-O 3.41Å; R418-F422 PolarHBondContact NH2-O 2.93Å; R418-F424 VanDerWaalsContact CZ-CE1 3.49Å; R418-P451 PolarHBondContact NH1-O 3.35Å; R418-Q453 PolarHBondContact NH1-O 3.31Å; R418-D455 PolarHBondContact N-O 2.97Å
419P83.2Confident88.1Confident24 Ų2450.1 Ų50.116%0.15623%0.226CC..PPolyproline II helixtrans-83.5150.8175.934.9-31.7000109.7L399 F421 F422L399-P419 VanDerWaalsContact CD2-CD 3.47Å; L399-P419 HydrophobicContact CD2-CG 3.81Å; P419-F421 VanDerWaalsContact C-N 3.25Å; P419-F421 HydrophobicContact CB-CD1 4.08Å; P419-F421 HydrophobicContact CB-CE1 3.6Å; P419-F421 HydrophobicContact CB-CE2 4.43Å; P419-F421 HydrophobicContact CB-CZ 3.8Å; P419-F421 HydrophobicContact CG-CE1 4.03Å; P419-F421 HydrophobicContact CG-CE2 3.96Å; P419-F421 HydrophobicContact CG-CZ 3.7Å; P419-F421 PolarHBondContact O-N 2.95Å; P419-F421 VanDerWaalsContact O-N 3.16Å; P419-F422 HydrophobicContact CG-CB 3.64Å; P419-F422 WeakPolarHBondContact O-CB 3.39Å; P419-F422 PolarHBondContact O-N 2.98Å
420Q80.4Confident88.7Confident189 Ų18948.2 Ų48.288%0.88321%0.213SC*.THydrogen-bonded Turntrans-60-31-171.4-68.9179.7-16.600114.2F422Q420-F422 VanDerWaalsContact C-N 3.3Å; Q420-F422 PolarHBondContact O-N 2.99Å
421F82.1Confident88.9Confident114 Ų11444.8 Ų44.850%0.520%0.197SC..THydrogen-bonded Turntrans-78.1-10.917860.8-99.2000113.9V393 P419 Q423V393-F421 HydrophobicContact CG1-CE2 4.44Å; P419-F421 VanDerWaalsContact C-N 3.25Å; P419-F421 HydrophobicContact CB-CD1 4.08Å; P419-F421 HydrophobicContact CB-CE1 3.6Å; P419-F421 HydrophobicContact CB-CE2 4.43Å; P419-F421 HydrophobicContact CB-CZ 3.8Å; P419-F421 HydrophobicContact CG-CE1 4.03Å; P419-F421 HydrophobicContact CG-CE2 3.96Å; P419-F421 HydrophobicContact CG-CZ 3.7Å; P419-F421 PolarHBondContact O-N 2.95Å; P419-F421 VanDerWaalsContact O-N 3.16Å; F421-Q423 PolarHBondContact O-N 2.85Å
422F85.1Confident88.9Confident10 Ų1044.7 Ų44.74%0.04420%0.197CC..  trans-8892.3-176.1-167.2-89.9000110.5R418 P419 Q420 F424 I430 I447 M457 V584 G586 P587R418-F422 HydrophobicContact CG-CB 4.47Å; R418-F422 HydrophobicContact CG-CD1 4.48Å; R418-F422 PolarHBondContact NE-O 3.41Å; R418-F422 PolarHBondContact NH2-O 2.93Å; P419-F422 HydrophobicContact CG-CB 3.64Å; P419-F422 WeakPolarHBondContact O-CB 3.39Å; P419-F422 PolarHBondContact O-N 2.98Å; Q420-F422 VanDerWaalsContact C-N 3.3Å; Q420-F422 PolarHBondContact O-N 2.99Å; F422-F424 HydrophobicContact CD1-CD1 4.05Å; F422-F424 HydrophobicContact CE1-CB 4.33Å; F422-F424 AromaticContact CE1-CD1 3.99Å; F422-F424 HydrophobicContact CE1-CD1 3.99Å; F422-I430 HydrophobicContact CE1-CG2 4.45Å; F422-I430 HydrophobicContact CZ-CG2 3.71Å; F422-I447 HydrophobicContact CE1-CD1 4.23Å; F422-M457 HydrophobicContact CD1-SD 4.2Å; F422-M457 HydrophobicContact CE1-SD 3.88Å; F422-V584 HydrophobicContact CE2-CG1 4.14Å; F422-V584 HydrophobicContact CZ-CG1 4.14Å; F422-G586 WeakPolarHBondContact CE2-O 3.28Å; F422-P587 HydrophobicContact CZ-CB 4.2Å; F422-P587 HydrophobicContact CZ-CG 4.34Å
423Q86.2Confident88.9Confident158 Ų15844.9 Ų44.974%0.73820%0.198SC*.  trans-99.5127.9174.8-64.7-178-4.200110.2F421 P587F421-Q423 PolarHBondContact O-N 2.85Å; Q423-P587 VanDerWaalsContact O-CG 3.27Å; Q423-P587 WeakPolarHBondContact O-CG 3.44Å
424F89.1Confident88.8Confident13 Ų1344.1 Ų44.16%0.05719%0.194CC..  trans-130.2164.4177.467.6-88.3000110.6R418 F422 D428 I447 S449 P451 M457 P587R418-F424 VanDerWaalsContact CZ-CE1 3.49Å; F422-F424 HydrophobicContact CD1-CD1 4.05Å; F422-F424 HydrophobicContact CE1-CB 4.33Å; F422-F424 AromaticContact CE1-CD1 3.99Å; F422-F424 HydrophobicContact CE1-CD1 3.99Å; F424-D428 HydrophobicContact CB-CB 4.41Å; F424-I447 HydrophobicContact CB-CD1 3.84Å; F424-I447 HydrophobicContact CD1-CD1 4.06Å; F424-I447 HydrophobicContact CD2-CB 4.34Å; F424-I447 HydrophobicContact CD2-CD1 3.62Å; F424-I447 HydrophobicContact CD2-CG2 4.09Å; F424-I447 HydrophobicContact CE1-CG2 4.39Å; F424-I447 HydrophobicContact CE2-CB 4.19Å; F424-I447 HydrophobicContact CE2-CD1 4.15Å; F424-I447 HydrophobicContact CE2-CG2 3.51Å; F424-I447 HydrophobicContact CG-CD1 3.58Å; F424-I447 HydrophobicContact CZ-CG2 3.68Å; F424-S449 WeakPolarHBondContact CE2-O 3.33Å; F424-P451 HydrophobicContact CD2-CB 4.04Å; F424-P451 HydrophobicContact CE1-CB 4.46Å; F424-P451 HydrophobicContact CE2-CB 3.78Å; F424-P451 HydrophobicContact CE2-CG 4.46Å; F424-P451 HydrophobicContact CG-CB 4.47Å; F424-P451 VanDerWaalsContact CZ-CA 3.45Å; F424-P451 HydrophobicContact CZ-CB 4.02Å; F424-P451 WeakPolarHBondContact O-CB 3.4Å; F424-M457 HydrophobicContact CE1-CB 4.48Å; F424-P587 HydrophobicContact CB-CB 3.68Å; F424-P587 HydrophobicContact CB-CG 3.75Å
425K88.4Confident88.6Confident116 Ų11646 Ų4650%0.50421%0.206SC..  trans-107.5157.9174.2-66.4-168.8177.1-168.50110.9G427 D428K425-G427 PolarHBondContact O-N 2.89Å; K425-D428 PolarHBondContact N-OD2 3.47Å; K425-D428 VanDerWaalsContact O-CB 3.23Å; K425-D428 WeakPolarHBondContact O-CB 3.24Å; K425-D428 PolarHBondContact O-N 3.28Å; K425-D428 VanDerWaalsContact O-N 3.09Å
426P89.4Confident88.5Confident5 Ų549.3 Ų49.33%0.03223%0.227CC..THydrogen-bonded Turntrans-59.7135.7179.9-18.431.8000110.9D428 P451 F596 S615 I616 S619P426-D428 VanDerWaalsContact C-N 3.3Å; P426-D428 PolarHBondContact O-N 3.27Å; P426-P451 HydrophobicContact CG-CG 3.73Å; P426-F596 HydrophobicContact CB-CE2 4.1Å; P426-F596 HydrophobicContact CB-CZ 4.09Å; P426-F596 HydrophobicContact CG-CE2 3.85Å; P426-F596 HydrophobicContact CG-CZ 3.75Å; P426-S615 WeakPolarHBondContact CA-OG 3.37Å; P426-I616 HydrophobicContact CB-CG1 3.95Å; P426-S619 VanDerWaalsContact CG-CB 3.44Å; P426-S619 VanDerWaalsContact CG-OG 3.26Å; P426-S619 WeakPolarHBondContact CG-OG 3.43Å
427G86.9Confident88.3Confident0 Ų050.2 Ų50.20%023%0.231CC..THydrogen-bonded Turntrans81.2-0.5-176.700000115.3K425 T590K425-G427 PolarHBondContact O-N 2.89Å; G427-T590 WeakPolarHBondContact O-CG2 3.18Å; G427-T590 PolarHBondContact O-OG1 3.36Å
428D88.9Confident88.1Confident1 Ų142.5 Ų42.51%0.00520%0.204CC..  trans-65.3154172-74.3-5.9000111.5F424 K425 P426 I447 P587 Y588 G589 R593F424-D428 HydrophobicContact CB-CB 4.41Å; K425-D428 PolarHBondContact N-OD2 3.47Å; K425-D428 VanDerWaalsContact O-CB 3.23Å; K425-D428 WeakPolarHBondContact O-CB 3.24Å; K425-D428 PolarHBondContact O-N 3.28Å; K425-D428 VanDerWaalsContact O-N 3.09Å; P426-D428 VanDerWaalsContact C-N 3.3Å; P426-D428 PolarHBondContact O-N 3.27Å; D428-I447 HydrophobicContact CB-CD1 4.48Å; D428-I447 PolarHBondContact O-N 2.95Å; D428-P587 HydrophobicContact CB-CB 4.06Å; D428-Y588 WeakPolarHBondContact CA-O 3.41Å; D428-G589 WeakPolarHBondContact OD1-CA 3.42Å; D428-R593 IonicContact OD1-CZ 3.78Å; D428-R593 IonicContact OD1-NE 2.66Å; D428-R593 PolarHBondContact OD1-NE 3.27Å; D428-R593 IonicContact OD1-NH2 3.97Å; D428-R593 PolarHBondContact OD1-NH2 3.14Å; D428-R593 IonicContact OD2-CZ 3.56Å; D428-R593 IonicContact OD2-NE 3.01Å; D428-R593 IonicContact OD2-NH2 3.93Å; D428-R593 PolarHBondContact OD2-NH2 3.43Å
429Y90.4Very high87.9Confident30 Ų3047.9 Ų47.912%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-122.1161.2175.475.3-83.2000111.8R245 Y431 P444 F445 Y588 T590 F783R245-Y429 PolarHBondContact NH1-OH 3.48Å; Y429-Y431 HydrophobicContact CE2-CD2 4.26Å; Y429-Y431 AromaticContact CE2-CE2 3.76Å; Y429-Y431 HydrophobicContact CE2-CE2 3.76Å; Y429-P444 HydrophobicContact CD2-CB 4.08Å; Y429-P444 HydrophobicContact CE2-CB 4.29Å; Y429-F445 CarbonylContact C-O 3.54Å; Y429-F445 WeakPolarHBondContact CA-O 3.43Å; Y429-F445 WeakPolarHBondContact CB-O 3.49Å; Y429-Y588 WeakPolarHBondContact CD1-O 3.44Å; Y429-Y588 HydrophobicContact CD2-CD2 4.42Å; Y429-Y588 VanDerWaalsContact CE1-CB 3.41Å; Y429-Y588 HydrophobicContact CE1-CG 4.49Å; Y429-Y588 AromaticContact CE2-CD2 3.97Å; Y429-Y588 HydrophobicContact CE2-CD2 3.97Å; Y429-Y588 HydrophobicContact CE2-CG 4.19Å; Y429-Y588 PolarHBondContact N-O 3.47Å; Y429-Y588 VanDerWaalsContact N-O 3.08Å; Y429-Y588 PolarHBondContact O-N 3.5Å; Y429-T590 HydrophobicContact CD1-CG2 3.61Å; Y429-T590 HydrophobicContact CE1-CG2 4.11Å; Y429-F783 HydrophobicContact CD1-CE1 4.07Å; Y429-F783 HydrophobicContact CG-CE1 4.29Å
430I91.3Very high87.8Confident0 Ų054.6 Ų54.60%025%0.252CS..EExtended strand (participates in β ladder)trans-132.2155.9-179.856.3162.4000110.9F422 P444 F445 I447 M457 L459 V584 P587F422-I430 HydrophobicContact CE1-CG2 4.45Å; F422-I430 HydrophobicContact CZ-CG2 3.71Å; I430-P444 CarbonylContact O-C 3.08Å; I430-P444 VanDerWaalsContact O-CA 3.27Å; I430-P444 WeakPolarHBondContact O-CA 3.5Å; I430-F445 PolarHBondContact N-O 3.24Å; I430-F445 PolarHBondContact O-N 2.88Å; I430-I447 HydrophobicContact CG1-CG1 4.22Å; I430-I447 HydrophobicContact CG2-CD1 3.8Å; I430-I447 HydrophobicContact CG2-CG1 4.07Å; I430-M457 HydrophobicContact CD1-CE 4.34Å; I430-M457 HydrophobicContact CD1-SD 4.43Å; I430-L459 HydrophobicContact CD1-CD1 4.01Å; I430-L459 HydrophobicContact CD1-CD2 4.01Å; I430-L459 HydrophobicContact CD1-CG 4.45Å; I430-L459 HydrophobicContact CG1-CD2 4.04Å; I430-V584 HydrophobicContact CB-CG1 3.72Å; I430-V584 HydrophobicContact CD1-CB 4.33Å; I430-V584 HydrophobicContact CD1-CG1 3.45Å; I430-V584 VanDerWaalsContact CD1-CG1 3.45Å; I430-V584 HydrophobicContact CD1-CG2 3.88Å; I430-V584 HydrophobicContact CG1-CG1 4.17Å; I430-V584 HydrophobicContact CG2-CG1 3.87Å; I430-P587 HydrophobicContact CG2-CB 4.41Å
431Y90.3Very high88Confident42 Ų4247 Ų4717%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-93.2127164.2-82.2-93.3000109.2R245 Y429 W442 H443 P444 V584 D585 Y588R245-Y431 VanDerWaalsContact CZ-OH 3.27Å; R245-Y431 VanDerWaalsContact NH1-CE2 3.31Å; R245-Y431 PolarHBondContact NH1-OH 3.23Å; R245-Y431 PolarHBondContact NH2-OH 3.06Å; R245-Y431 VanDerWaalsContact NH2-OH 3.15Å; Y429-Y431 HydrophobicContact CE2-CD2 4.26Å; Y429-Y431 AromaticContact CE2-CE2 3.76Å; Y429-Y431 HydrophobicContact CE2-CE2 3.76Å; Y431-W442 HydrophobicContact CD1-CB 4.01Å; Y431-H443 CarbonylContact C-O 3.54Å; Y431-H443 WeakPolarHBondContact CA-O 3.39Å; Y431-P444 HydrophobicContact CD1-CB 4.15Å; Y431-P444 HydrophobicContact CD2-CB 4.42Å; Y431-P444 HydrophobicContact CE1-CB 3.75Å; Y431-P444 HydrophobicContact CE1-CG 3.89Å; Y431-P444 HydrophobicContact CE2-CB 4.08Å; Y431-P444 HydrophobicContact CG-CB 4.46Å; Y431-V584 CarbonylContact O-C 3.59Å; Y431-V584 VanDerWaalsContact O-CA 3.31Å; Y431-V584 WeakPolarHBondContact O-CA 3.24Å; Y431-D585 PolarHBondContact N-O 2.92Å; Y431-D585 PolarHBondContact O-N 3.37Å; Y431-Y588 AromaticContact CD2-CD2 3.97Å; Y431-Y588 HydrophobicContact CD2-CD2 3.97Å; Y431-Y588 AromaticContact CD2-CE2 3.66Å; Y431-Y588 HydrophobicContact CD2-CE2 3.66Å; Y431-Y588 HydrophobicContact CE2-CD2 4.38Å; Y431-Y588 HydrophobicContact CE2-CE2 4.25Å
432I90.9Very high88.2Confident0 Ų044.9 Ų44.90%021%0.205CC..EExtended strand (participates in β ladder)trans-110.7140.5175.8-165.4171.1000110.6L414 I416 I434 W442 H443 F445 L459 W467 C582 Y583 V584L414-I432 HydrophobicContact CD1-CD1 4.48Å; I416-I432 HydrophobicContact CD1-CD1 3.59Å; I432-I434 HydrophobicContact CD1-CD1 4.06Å; I432-I434 HydrophobicContact CD1-CG1 4Å; I432-I434 HydrophobicContact CG1-CG1 4.02Å; I432-W442 WeakPolarHBondContact O-CA 3.23Å; I432-H443 PolarHBondContact N-O 3Å; I432-H443 PolarHBondContact O-N 3.06Å; I432-F445 HydrophobicContact CG2-CD2 3.56Å; I432-F445 HydrophobicContact CG2-CE2 3.74Å; I432-L459 HydrophobicContact CD1-CD1 3.85Å; I432-W467 HydrophobicContact CG2-CH2 4.14Å; I432-C582 HydrophobicContact CD1-CB 4.36Å; I432-C582 HydrophobicContact CG1-CB 4.37Å; I432-Y583 CarbonylContact C-O 3.53Å; I432-Y583 WeakPolarHBondContact CA-O 3.41Å; I432-V584 HydrophobicContact CG1-CG2 4.27Å
433N91.3Very high88.3Confident4 Ų445.3 Ų45.32%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-120.6127.5166.3172.4-90.9000108.9P435 A438 K439 E441 W442 C582 Y583N433-P435 WeakPolarHBondContact OD1-CD 3.41Å; N433-P435 WeakPolarHBondContact OD1-CG 3.49Å; N433-A438 PolarHBondContact ND2-O 3.37Å; N433-A438 VanDerWaalsContact ND2-O 3.13Å; N433-K439 PolarHBondContact ND2-O 2.86Å; N433-E441 PolarHBondContact ND2-O 3.36Å; N433-W442 HydrophobicContact CB-CD2 3.59Å; N433-W442 HydrophobicContact CB-CE3 3.66Å; N433-W442 HydrophobicContact CB-CG 4.21Å; N433-W442 HydrophobicContact CB-CH2 3.99Å; N433-W442 HydrophobicContact CB-CZ2 3.87Å; N433-W442 HydrophobicContact CB-CZ3 3.86Å; N433-C582 CarbonylContact O-C 3.45Å; N433-C582 WeakPolarHBondContact O-CA 3.48Å; N433-Y583 PolarHBondContact N-O 2.94Å; N433-Y583 PolarHBondContact O-N 2.97Å; N433-Y583 WeakPolarHBondContact OD1-CD2 3.28Å
434I91.7Very high88.5Confident1 Ų140.1 Ų40.11%0.00519%0.187CC..  trans-119.496.5177.3-54.4174.3000106.8I401 L414 I432 V436 I437 A438 W467 L471 I580 C582I401-I434 HydrophobicContact CD1-CD1 3.82Å; I401-I434 HydrophobicContact CD1-CG1 4.22Å; I401-I434 HydrophobicContact CD1-CG2 4.45Å; L414-I434 HydrophobicContact CD1-CD1 4.27Å; I432-I434 HydrophobicContact CD1-CD1 4.06Å; I432-I434 HydrophobicContact CD1-CG1 4Å; I432-I434 HydrophobicContact CG1-CG1 4.02Å; I434-V436 PolarHBondContact O-N 3.43Å; I434-V436 VanDerWaalsContact O-N 3.08Å; I434-I437 HydrophobicContact CB-CB 4.46Å; I434-I437 HydrophobicContact CB-CG1 4.24Å; I434-I437 HydrophobicContact CG2-CG1 3.9Å; I434-I437 PolarHBondContact O-N 3.15Å; I434-A438 PolarHBondContact O-N 3.11Å; I434-W467 HydrophobicContact CB-CZ2 4.37Å; I434-W467 HydrophobicContact CD1-CH2 3.98Å; I434-W467 HydrophobicContact CD1-CZ2 4.01Å; I434-W467 HydrophobicContact CG1-CZ2 4.2Å; I434-L471 HydrophobicContact CD1-CD1 3.68Å; I434-I580 HydrophobicContact CG2-CG2 4.01Å; I434-C582 HydrophobicContact CG1-CB 4.22Å
435P89.8Confident88.6Confident39 Ų3941.1 Ų41.125%0.25319%0.192SC..THydrogen-bonded Turntrans-58-27.1-171.6-26.933.5000115.1N433 I437 K581 Y583N433-P435 WeakPolarHBondContact OD1-CD 3.41Å; N433-P435 WeakPolarHBondContact OD1-CG 3.49Å; P435-I437 VanDerWaalsContact C-N 3.28Å; P435-K581 WeakPolarHBondContact CD-O 3.42Å; P435-Y583 HydrophobicContact CG-CD2 3.89Å; P435-Y583 HydrophobicContact CG-CE2 3.56Å
436V89.8Confident88.7Confident81 Ų8136 Ų3649%0.49117%0.17SC..THydrogen-bonded Turntrans-65.7-33.1176.7-179.70000111.3I434 Y474 I580I434-V436 PolarHBondContact O-N 3.43Å; I434-V436 VanDerWaalsContact O-N 3.08Å; V436-Y474 HydrophobicContact CG1-CE1 4.21Å; V436-Y474 HydrophobicContact CG1-CE2 3.75Å; V436-I580 HydrophobicContact CG2-CG2 4.02Å
437I89.6Confident88.9Confident18 Ų1835.8 Ų35.89%0.09217%0.168CC..THydrogen-bonded Turntrans-89.2-49.2177.6-54.2-56.3000110.6I434 P435 W467 R470 L471 Y474I434-I437 HydrophobicContact CB-CB 4.46Å; I434-I437 HydrophobicContact CB-CG1 4.24Å; I434-I437 HydrophobicContact CG2-CG1 3.9Å; I434-I437 PolarHBondContact O-N 3.15Å; P435-I437 VanDerWaalsContact C-N 3.28Å; I437-W467 HydrophobicContact CG2-CG 4.44Å; I437-R470 HydrophobicContact CG2-CB 3.95Å; I437-L471 HydrophobicContact CD1-CD1 4.31Å; I437-L471 HydrophobicContact CG1-CD1 3.86Å; I437-Y474 HydrophobicContact CD1-CD1 3.9Å; I437-Y474 HydrophobicContact CD1-CD2 4.19Å; I437-Y474 HydrophobicContact CD1-CG 3.63Å
438A86.2Confident89.2Confident8 Ų835.9 Ų35.97%0.06617%0.169CC..  trans-152.8122.417800000111.1N433 I434 Y440 E441N433-A438 PolarHBondContact ND2-O 3.37Å; N433-A438 VanDerWaalsContact ND2-O 3.13Å; I434-A438 PolarHBondContact O-N 3.11Å; A438-Y440 PolarHBondContact O-N 3.11Å; A438-E441 HydrophobicContact CB-CB 3.82Å; A438-E441 HydrophobicContact CB-CG 3.86Å; A438-E441 WeakPolarHBondContact CB-OE1 3.04Å
439K85.4Confident89.4Confident153 Ų15335.8 Ų35.867%0.66517%0.169SC*.SBendtrans-65-33.4-174.3-69.5-177.7-179176.40114.2N433N433-K439 PolarHBondContact ND2-O 2.86Å
440Y81.1Confident89.4Confident164 Ų16434.7 Ų34.764%0.64317%0.166SC*.SBendtrans-124.71.3-168.4-55.1-64.2000114.6Y352 A438Y352-Y440 PolarHBondContact OH-O 2.68Å; A438-Y440 PolarHBondContact O-N 3.11Å
441E83.6Confident89.4Confident29 Ų2935.9 Ų35.914%0.13617%0.173CC..  trans-93.5135.4-178.1-63.8175.5-134.700111.5N433 A438 H443 R470N433-E441 PolarHBondContact ND2-O 3.36Å; A438-E441 HydrophobicContact CB-CB 3.82Å; A438-E441 HydrophobicContact CB-CG 3.86Å; A438-E441 WeakPolarHBondContact CB-OE1 3.04Å; E441-H443 IonicContact OE2-CE1 2.9Å; E441-H443 IonicContact OE2-NE2 3.25Å; E441-H443 PolarHBondContact OE2-NE2 2.8Å; E441-R470 IonicContact OE1-NH2 3.64Å; E441-R470 PolarHBondContact OE1-NH2 3.23Å; E441-R470 IonicContact OE2-NH2 2.94Å
442W86.8Confident89.3Confident70 Ų7036.4 Ų36.427%0.26518%0.177SC..  trans-118.7126.2176-68.381.6000109.5Y431 I432 N433 Y583 D585Y431-W442 HydrophobicContact CD1-CB 4.01Å; I432-W442 WeakPolarHBondContact O-CA 3.23Å; N433-W442 HydrophobicContact CB-CD2 3.59Å; N433-W442 HydrophobicContact CB-CE3 3.66Å; N433-W442 HydrophobicContact CB-CG 4.21Å; N433-W442 HydrophobicContact CB-CH2 3.99Å; N433-W442 HydrophobicContact CB-CZ2 3.87Å; N433-W442 HydrophobicContact CB-CZ3 3.86Å; W442-Y583 VanDerWaalsContact CH2-CB 3.48Å; W442-Y583 WeakPolarHBondContact CZ3-O 3.43Å; W442-D585 HydrophobicContact CE3-CB 4.24Å; W442-D585 HydrophobicContact CZ3-CB 3.87Å
443H87.1Confident89.1Confident20 Ų2038.5 Ų38.59%0.09319%0.187CC..EExtended strand (participates in β ladder)trans-120.7133.5-175.1-68.8-84.2000111.1Y431 I432 E441 F445 W467Y431-H443 CarbonylContact C-O 3.54Å; Y431-H443 WeakPolarHBondContact CA-O 3.39Å; I432-H443 PolarHBondContact N-O 3Å; I432-H443 PolarHBondContact O-N 3.06Å; E441-H443 IonicContact OE2-CE1 2.9Å; E441-H443 IonicContact OE2-NE2 3.25Å; E441-H443 PolarHBondContact OE2-NE2 2.8Å; H443-F445 HydrophobicContact CB-CD2 4.41Å; H443-F445 HydrophobicContact CB-CE2 3.55Å; H443-F445 HydrophobicContact CB-CZ 3.96Å; H443-W467 HydrophobicContact CB-CE3 4.28Å; H443-W467 HydrophobicContact CB-CZ3 4.32Å; H443-W467 AromaticContact CD2-CD1 3.54Å; H443-W467 AromaticContact CD2-CD2 3.31Å; H443-W467 AromaticContact CD2-CE2 3.43Å; H443-W467 VanDerWaalsContact CD2-CE2 3.43Å; H443-W467 AromaticContact CD2-CE3 3.89Å; H443-W467 AromaticContact CD2-CG 3.42Å; H443-W467 VanDerWaalsContact CD2-CG 3.42Å; H443-W467 AromaticContact CD2-NE1 3.53Å; H443-W467 AromaticContact CE1-CG 3.74Å; H443-W467 AromaticContact CG-CD2 3.84Å; H443-W467 AromaticContact CG-CE3 3.94Å; H443-W467 WeakPolarHBondContact NE2-CB 3.48Å; H443-W467 AromaticContact NE2-CD1 3.23Å; H443-W467 AromaticContact NE2-CD2 3.57Å; H443-W467 AromaticContact NE2-CE2 3.97Å; H443-W467 AromaticContact NE2-CG 3.1Å; H443-W467 AromaticContact NE2-NE1 3.73Å
444P89.7Confident88.7Confident49 Ų4942.6 Ų42.632%0.31821%0.214SC..EExtended strand (participates in β ladder)trans-82.2132.6-179.331.2-30.4000111.6Y429 I430 Y431Y429-P444 HydrophobicContact CD2-CB 4.08Å; Y429-P444 HydrophobicContact CE2-CB 4.29Å; I430-P444 CarbonylContact O-C 3.08Å; I430-P444 VanDerWaalsContact O-CA 3.27Å; I430-P444 WeakPolarHBondContact O-CA 3.5Å; Y431-P444 HydrophobicContact CD1-CB 4.15Å; Y431-P444 HydrophobicContact CD2-CB 4.42Å; Y431-P444 HydrophobicContact CE1-CB 3.75Å; Y431-P444 HydrophobicContact CE1-CG 3.89Å; Y431-P444 HydrophobicContact CE2-CB 4.08Å; Y431-P444 HydrophobicContact CG-CB 4.46Å
445F91.5Very high88.5Confident34 Ų3447.9 Ų47.915%0.14924%0.242CC..EExtended strand (participates in β ladder)trans-140.5142.6171.6-62-71.2000111.3Y429 I430 I432 H443 L459 V461 W467 T468Y429-F445 CarbonylContact C-O 3.54Å; Y429-F445 WeakPolarHBondContact CA-O 3.43Å; Y429-F445 WeakPolarHBondContact CB-O 3.49Å; I430-F445 PolarHBondContact N-O 3.24Å; I430-F445 PolarHBondContact O-N 2.88Å; I432-F445 HydrophobicContact CG2-CD2 3.56Å; I432-F445 HydrophobicContact CG2-CE2 3.74Å; H443-F445 HydrophobicContact CB-CD2 4.41Å; H443-F445 HydrophobicContact CB-CE2 3.55Å; H443-F445 HydrophobicContact CB-CZ 3.96Å; F445-L459 HydrophobicContact CB-CD1 4.29Å; F445-L459 HydrophobicContact CB-CD2 4.15Å; F445-V461 HydrophobicContact CD1-CB 4.49Å; F445-V461 HydrophobicContact CD1-CG1 4.33Å; F445-V461 HydrophobicContact CD1-CG2 3.87Å; F445-V461 HydrophobicContact CD2-CG2 4.13Å; F445-V461 HydrophobicContact CE1-CB 4.21Å; F445-V461 HydrophobicContact CE1-CG1 3.59Å; F445-V461 HydrophobicContact CE1-CG2 3.93Å; F445-V461 HydrophobicContact CE2-CG1 4.41Å; F445-V461 HydrophobicContact CE2-CG2 4.17Å; F445-V461 HydrophobicContact CG-CG2 3.99Å; F445-V461 HydrophobicContact CZ-CB 4.48Å; F445-V461 HydrophobicContact CZ-CG1 3.64Å; F445-V461 HydrophobicContact CZ-CG2 4.08Å; F445-W467 HydrophobicContact CE2-CE3 4.38Å; F445-W467 AromaticContact CE2-CH2 3.88Å; F445-W467 HydrophobicContact CE2-CH2 3.88Å; F445-W467 AromaticContact CE2-CZ3 3.49Å; F445-W467 HydrophobicContact CE2-CZ3 3.49Å; F445-W467 VanDerWaalsContact CE2-CZ3 3.49Å; F445-W467 HydrophobicContact CZ-CE3 4.15Å; F445-W467 HydrophobicContact CZ-CH2 4.38Å; F445-W467 AromaticContact CZ-CZ3 3.54Å; F445-W467 HydrophobicContact CZ-CZ3 3.54Å; F445-T468 HydrophobicContact CE1-CG2 4.38Å; F445-T468 HydrophobicContact CZ-CG2 4.06Å
446T91.8Very high88.6Confident8 Ų847.6 Ų47.65%0.04924%0.24CC..EExtended strand (participates in β ladder)trans-72.7137.8176.4-51.30000110.6S448 L459 P612 F783T446-S448 PolarHBondContact O-N 3Å; T446-L459 WeakPolarHBondContact O-CD2 3.49Å; T446-P612 HydrophobicContact CG2-CB 3.91Å; T446-F783 WeakPolarHBondContact OG1-CD1 3.17Å; T446-F783 VanDerWaalsContact OG1-CE1 3.3Å; T446-F783 WeakPolarHBondContact OG1-CE1 3.25Å; T446-F783 WeakPolarHBondContact OG1-CG 3.4Å
447I93.1Very high88.7Confident0 Ų043.8 Ų43.80%022%0.217CC..BIsolated β-bridgetrans-72.5119.1172.6-54.7170.2000107.4F422 F424 D428 I430 S449 M457 L459 S615F422-I447 HydrophobicContact CE1-CD1 4.23Å; F424-I447 HydrophobicContact CB-CD1 3.84Å; F424-I447 HydrophobicContact CD1-CD1 4.06Å; F424-I447 HydrophobicContact CD2-CB 4.34Å; F424-I447 HydrophobicContact CD2-CD1 3.62Å; F424-I447 HydrophobicContact CD2-CG2 4.09Å; F424-I447 HydrophobicContact CE1-CG2 4.39Å; F424-I447 HydrophobicContact CE2-CB 4.19Å; F424-I447 HydrophobicContact CE2-CD1 4.15Å; F424-I447 HydrophobicContact CE2-CG2 3.51Å; F424-I447 HydrophobicContact CG-CD1 3.58Å; F424-I447 HydrophobicContact CZ-CG2 3.68Å; D428-I447 HydrophobicContact CB-CD1 4.48Å; D428-I447 PolarHBondContact O-N 2.95Å; I430-I447 HydrophobicContact CG1-CG1 4.22Å; I430-I447 HydrophobicContact CG2-CD1 3.8Å; I430-I447 HydrophobicContact CG2-CG1 4.07Å; I447-S449 WeakPolarHBondContact CG2-OG 3.16Å; I447-M457 HydrophobicContact CG2-CB 4.41Å; I447-L459 HydrophobicContact CG1-CD2 4.49Å; I447-S615 VanDerWaalsContact O-CB 3.22Å; I447-S615 WeakPolarHBondContact O-CB 3.24Å
448S92.6Very high88.9Confident2 Ų246 Ų461%0.01422%0.224CC..  trans-94.3-15.9-176.356.50000113.7T446 W458 H460 A614 S615 Q618T446-S448 PolarHBondContact O-N 3Å; S448-W458 PolarHBondContact N-O 2.85Å; S448-W458 PolarHBondContact OG-O 3.1Å; S448-H460 WeakPolarHBondContact CB-ND1 3.48Å; S448-H460 PolarHBondContact OG-ND1 3.48Å; S448-A614 CarbonylContact O-C 3.54Å; S448-A614 WeakPolarHBondContact O-CB 3.48Å; S448-S615 WeakPolarHBondContact O-CA 3.48Å; S448-S615 PolarHBondContact O-N 2.98Å; S448-Q618 PolarHBondContact O-NE2 3.25Å
449S92.6Very high89.3Confident0 Ų045.7 Ų45.70%022%0.221CC..SBendtrans-81152.1172.155.50000111.7F424 I447 M457 W458 S615F424-S449 WeakPolarHBondContact CE2-O 3.33Å; I447-S449 WeakPolarHBondContact CG2-OG 3.16Å; S449-M457 WeakPolarHBondContact OG-CA 3.46Å; S449-W458 PolarHBondContact OG-N 3.31Å; S449-S615 VanDerWaalsContact O-CB 3.28Å; S449-S615 WeakPolarHBondContact O-CB 3.3Å; S449-S615 PolarHBondContact O-OG 2.76Å
450A91.4Very high89.6Confident7 Ų739.5 Ų39.56%0.05820%0.195CC..  trans-67.8146169.300000111.4E452 Q453 Q618A450-E452 VanDerWaalsContact CB-OE2 3.27Å; A450-E452 WeakPolarHBondContact CB-OE2 3.44Å; A450-E452 PolarHBondContact O-N 3.15Å; A450-Q453 WeakPolarHBondContact O-CB 3.38Å; A450-Q453 PolarHBondContact O-N 3.33Å; A450-Q618 HydrophobicContact CB-CB 3.5Å; A450-Q618 VanDerWaalsContact CB-CB 3.5Å
451P91.1Very high90.1Very high24 Ų2431.8 Ų31.816%0.15616%0.164CC..THydrogen-bonded Turntrans-67.1-19.1174.328.9-36.4000114R418 F424 P426R418-P451 PolarHBondContact NH1-O 3.35Å; F424-P451 HydrophobicContact CD2-CB 4.04Å; F424-P451 HydrophobicContact CE1-CB 4.46Å; F424-P451 HydrophobicContact CE2-CB 3.78Å; F424-P451 HydrophobicContact CE2-CG 4.46Å; F424-P451 HydrophobicContact CG-CB 4.47Å; F424-P451 VanDerWaalsContact CZ-CA 3.45Å; F424-P451 HydrophobicContact CZ-CB 4.02Å; F424-P451 WeakPolarHBondContact O-CB 3.4Å; P426-P451 HydrophobicContact CG-CG 3.73Å
452E88.8Confident90.3Very high54 Ų5434.2 Ų34.225%0.25217%0.172SC..THydrogen-bonded Turntrans-74.9-16175.8-57.987.8176.500112.4A450 P454 S619 Y622 R623A450-E452 VanDerWaalsContact CB-OE2 3.27Å; A450-E452 WeakPolarHBondContact CB-OE2 3.44Å; A450-E452 PolarHBondContact O-N 3.15Å; E452-P454 WeakPolarHBondContact O-CD 3.46Å; E452-S619 PolarHBondContact OE1-OG 3.37Å; E452-S619 WeakPolarHBondContact OE2-CB 3.43Å; E452-S619 PolarHBondContact OE2-OG 3.12Å; E452-Y622 HydrophobicContact CB-CD1 4.07Å; E452-Y622 HydrophobicContact CB-CD2 4.19Å; E452-Y622 HydrophobicContact CB-CE1 4.09Å; E452-Y622 HydrophobicContact CB-CE2 4.2Å; E452-Y622 HydrophobicContact CB-CG 4.11Å; E452-Y622 HydrophobicContact CG-CD1 3.55Å; E452-Y622 HydrophobicContact CG-CE1 3.66Å; E452-Y622 HydrophobicContact CG-CG 4.02Å; E452-R623 IonicContact OE1-NE 3.83Å
453Q86.4Confident90.3Very high44 Ų4431.5 Ų31.521%0.20616%0.164CC..SBendtrans-70.6124.4174.6-171.1171.80.900110.8R418 A450 T456 W458R418-Q453 PolarHBondContact NH1-O 3.31Å; A450-Q453 WeakPolarHBondContact O-CB 3.38Å; A450-Q453 PolarHBondContact O-N 3.33Å; Q453-T456 PolarHBondContact NE2-OG1 3.47Å; Q453-W458 VanDerWaalsContact NE2-CE2 3.3Å
454P83.1Confident90Very high90 Ų9037 Ų3758%0.58419%0.191SC*.  trans-75.9153.7-179.730.8-34.2000111.8E452 T456E452-P454 WeakPolarHBondContact O-CD 3.46Å; P454-T456 PolarHBondContact O-N 2.98Å; P454-T456 PolarHBondContact O-OG1 3.25Å
455D86.6Confident89.4Confident112 Ų11235.9 Ų35.960%0.59919%0.188SC*.SBendtrans60.9-12.7164.6-55.6-44.5000119.2R418R418-D455 PolarHBondContact N-O 2.97Å
456T91.5Very high89Confident33 Ų3338.1 Ų38.120%0.20220%0.199CC..EExtended strand (participates in β ladder)trans-135.4154.8-178.758.50000112V415 I416 Q453 P454V415-T456 HydrophobicContact CG1-CG2 3.99Å; I416-T456 CarbonylContact O-C 3.59Å; I416-T456 WeakPolarHBondContact O-CA 3.35Å; Q453-T456 PolarHBondContact NE2-OG1 3.47Å; P454-T456 PolarHBondContact O-N 2.98Å; P454-T456 PolarHBondContact O-OG1 3.25Å
457M93.1Very high88.8Confident0 Ų038 Ų380%020%0.198CC..EExtended strand (participates in β ladder)trans-135142.616964.9-178.617600109.6L399 I416 F422 F424 I430 I447 S449 V584L399-M457 HydrophobicContact CD1-CE 3.95Å; L399-M457 HydrophobicContact CD2-CE 4.49Å; I416-M457 HydrophobicContact CB-CE 3.82Å; I416-M457 HydrophobicContact CB-CG 3.9Å; I416-M457 HydrophobicContact CD1-CE 4.19Å; I416-M457 HydrophobicContact CG2-CE 3.47Å; I416-M457 VanDerWaalsContact CG2-CE 3.47Å; I416-M457 HydrophobicContact CG2-CG 4.5Å; I416-M457 PolarHBondContact N-O 3.02Å; I416-M457 PolarHBondContact O-N 3Å; F422-M457 HydrophobicContact CD1-SD 4.2Å; F422-M457 HydrophobicContact CE1-SD 3.88Å; F424-M457 HydrophobicContact CE1-CB 4.48Å; I430-M457 HydrophobicContact CD1-CE 4.34Å; I430-M457 HydrophobicContact CD1-SD 4.43Å; I447-M457 HydrophobicContact CG2-CB 4.41Å; S449-M457 WeakPolarHBondContact OG-CA 3.46Å; M457-V584 HydrophobicContact CE-CG2 3.87Å
458W93.5Very high88.7Confident66 Ų6638.9 Ų38.925%0.2520%0.203CC..EExtended strand (participates in β ladder)trans-115.1138.4-171.2-56.7-17.6000112.1H413 L414 S448 S449 Q453H413-W458 AromaticContact NE2-CD2 3.82Å; H413-W458 AromaticContact NE2-CG 3.58Å; L414-W458 WeakPolarHBondContact O-CA 3.47Å; S448-W458 PolarHBondContact N-O 2.85Å; S448-W458 PolarHBondContact OG-O 3.1Å; S449-W458 PolarHBondContact OG-N 3.31Å; Q453-W458 VanDerWaalsContact NE2-CE2 3.3Å
459L94Very high88.5Confident0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-122.6137.2170.8-56.2179000110.3H413 L414 I416 I430 I432 F445 T446 I447 V461H413-L459 CarbonylContact C-O 3.44Å; H413-L459 WeakPolarHBondContact CA-O 3.49Å; L414-L459 HydrophobicContact CB-CB 4.31Å; L414-L459 PolarHBondContact N-O 2.91Å; L414-L459 PolarHBondContact O-N 2.77Å; I416-L459 HydrophobicContact CD1-CD1 3.68Å; I416-L459 HydrophobicContact CD1-CG 4.09Å; I430-L459 HydrophobicContact CD1-CD1 4.01Å; I430-L459 HydrophobicContact CD1-CD2 4.01Å; I430-L459 HydrophobicContact CD1-CG 4.45Å; I430-L459 HydrophobicContact CG1-CD2 4.04Å; I432-L459 HydrophobicContact CD1-CD1 3.85Å; F445-L459 HydrophobicContact CB-CD1 4.29Å; F445-L459 HydrophobicContact CB-CD2 4.15Å; T446-L459 WeakPolarHBondContact O-CD2 3.49Å; I447-L459 HydrophobicContact CG1-CD2 4.49Å; L459-V461 HydrophobicContact CB-CG2 4.39Å
460H92.1Very high88.4Confident24 Ų2446.9 Ų46.911%0.11124%0.238CC..EExtended strand (participates in β ladder)trans-111.3110.5171.2-73.582.6000109.2V411 H413 S448 T611 W666V411-H460 HydrophobicContact CG1-CB 4.18Å; H413-H460 AromaticContact CD2-CD2 3.9Å; H413-H460 AromaticContact CD2-CE1 3.18Å; H413-H460 PolarHBondContact CD2-CE1 3.44Å; H413-H460 AromaticContact CD2-ND1 3.71Å; H413-H460 AromaticContact CD2-NE2 3.3Å; H413-H460 PolarHBondContact CD2-NE2 2.87Å; H413-H460 VanDerWaalsContact CD2-NE2 3.3Å; H413-H460 AromaticContact CG-CE1 4Å; H413-H460 AromaticContact CG-NE2 3.65Å; H413-H460 AromaticContact NE2-CE1 3.61Å; H413-H460 AromaticContact NE2-NE2 3.98Å; S448-H460 WeakPolarHBondContact CB-ND1 3.48Å; S448-H460 PolarHBondContact OG-ND1 3.48Å; H460-T611 HydrophobicContact CB-CG2 3.94Å; H460-W666 HydrophobicContact CB-CH2 4.19Å; H460-W666 HydrophobicContact CB-CZ3 3.93Å; H460-W666 AromaticContact CD2-CE3 3.16Å; H460-W666 AromaticContact CD2-CZ3 3.23Å; H460-W666 WeakPolarHBondContact CD2-CZ3 3.27Å; H460-W666 AromaticContact CE1-CZ3 3.92Å; H460-W666 AromaticContact CG-CE3 3.84Å; H460-W666 AromaticContact CG-CZ3 3.4Å; H460-W666 VanDerWaalsContact CG-CZ3 3.4Å; H460-W666 AromaticContact ND1-CZ3 3.83Å; H460-W666 AromaticContact NE2-CE3 3.47Å; H460-W666 AromaticContact NE2-CZ3 3.59Å
461V91.4Very high88.4Confident1 Ų146.5 Ų46.51%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-110.3112.9-172.21800000110.1V411 T412 L414 F445 L459 W467 T468 L471V411-V461 CarbonylContact C-O 3.57Å; V411-V461 WeakPolarHBondContact CA-O 3.09Å; T412-V461 PolarHBondContact N-O 3.27Å; T412-V461 PolarHBondContact O-N 3.42Å; L414-V461 HydrophobicContact CD1-CG2 4.14Å; F445-V461 HydrophobicContact CD1-CB 4.49Å; F445-V461 HydrophobicContact CD1-CG1 4.33Å; F445-V461 HydrophobicContact CD1-CG2 3.87Å; F445-V461 HydrophobicContact CD2-CG2 4.13Å; F445-V461 HydrophobicContact CE1-CB 4.21Å; F445-V461 HydrophobicContact CE1-CG1 3.59Å; F445-V461 HydrophobicContact CE1-CG2 3.93Å; F445-V461 HydrophobicContact CE2-CG1 4.41Å; F445-V461 HydrophobicContact CE2-CG2 4.17Å; F445-V461 HydrophobicContact CG-CG2 3.99Å; F445-V461 HydrophobicContact CZ-CB 4.48Å; F445-V461 HydrophobicContact CZ-CG1 3.64Å; F445-V461 HydrophobicContact CZ-CG2 4.08Å; L459-V461 HydrophobicContact CB-CG2 4.39Å; V461-W467 HydrophobicContact CG1-CZ3 4.37Å; V461-T468 HydrophobicContact CG1-CG2 3.73Å; V461-L471 HydrophobicContact CB-CD2 4.22Å; V461-L471 HydrophobicContact CG1-CD2 3.93Å; V461-L471 HydrophobicContact CG2-CD2 4.41Å
462R88.4Confident88.5Confident81 Ų8147 Ų4731%0.30623%0.234SC..EExtended strand (participates in β ladder)trans-84.5136.4175.2-168.8179.1-176.4179.75.7111.7V411 M464 T468 I608V411-R462 HydrophobicContact CG2-CB 4.31Å; V411-R462 HydrophobicContact CG2-CG 4.25Å; R462-M464 HydrophobicContact CB-CG 4.2Å; R462-M464 HydrophobicContact CG-CG 3.84Å; R462-M464 HydrophobicContact CG-SD 4.12Å; R462-M464 PolarHBondContact O-N 3.42Å; R462-M464 VanDerWaalsContact O-N 3.09Å; R462-T468 WeakPolarHBondContact O-CB 3.18Å; R462-I608 HydrophobicContact CB-CB 4.35Å; R462-I608 HydrophobicContact CB-CD1 4.05Å; R462-I608 HydrophobicContact CB-CG1 3.87Å
463S87.5Confident88.6Confident12 Ų1247.5 Ų47.58%0.08424%0.237CC..  trans-74.392.1177.9-570000112K410 N469 Y472K410-S463 VanDerWaalsContact O-CB 3.31Å; K410-S463 WeakPolarHBondContact O-CB 3.37Å; K410-S463 PolarHBondContact O-N 2.93Å; K410-S463 PolarHBondContact O-OG 3.32Å; S463-N469 WeakPolarHBondContact CA-OD1 3.49Å; S463-N469 VanDerWaalsContact CB-OD1 3.25Å; S463-N469 WeakPolarHBondContact CB-OD1 3.4Å; S463-Y472 WeakPolarHBondContact OG-CB 3.25Å; S463-Y472 WeakPolarHBondContact OG-CD2 3.19Å
464M79Confident88.7Confident136 Ų13649.7 Ų49.767%0.6724%0.244SC*.  trans-128.5-8.8-175.5-60.6-70.3-100.500114.4R462 T468R462-M464 HydrophobicContact CB-CG 4.2Å; R462-M464 HydrophobicContact CG-CG 3.84Å; R462-M464 HydrophobicContact CG-SD 4.12Å; R462-M464 PolarHBondContact O-N 3.42Å; R462-M464 VanDerWaalsContact O-N 3.09Å; M464-T468 PolarHBondContact N-OG1 2.97Å
465G78.6Confident89Confident25 Ų2545.8 Ų45.826%0.25822%0.217SC..SBendtrans-147.3177.6179.100000112.5W467 T468 N469G465-W467 PolarHBondContact O-N 2.62Å; G465-T468 PolarHBondContact N-OG1 2.85Å; G465-T468 PolarHBondContact O-N 3.19Å; G465-T468 PolarHBondContact O-OG1 3.05Å; G465-N469 VanDerWaalsContact O-CB 3.24Å; G465-N469 WeakPolarHBondContact O-CB 3.39Å; G465-N469 PolarHBondContact O-N 3.08Å; G465-N469 PolarHBondContact O-ND2 3.44Å; G465-N469 PolarHBondContact O-OD1 2.87Å
466Q83.1Confident88.9Confident81 Ų8147 Ų4738%0.37921%0.214SC..Hα-helixtrans-55.7-49.1-174.9-73.1175.7-18.500112.9G346 N469 R470G346-Q466 VanDerWaalsContact O-CG 3.26Å; G346-Q466 WeakPolarHBondContact O-CG 2.91Å; G346-Q466 PolarHBondContact O-OE1 2.93Å; G346-Q466 VanDerWaalsContact O-OE1 3.12Å; Q466-N469 PolarHBondContact O-N 3.31Å; Q466-R470 WeakPolarHBondContact O-CB 3.32Å; Q466-R470 WeakPolarHBondContact O-CG 3.27Å; Q466-R470 PolarHBondContact O-N 3.11Å
467W88Confident88.3Confident7 Ų751.5 Ų51.53%0.02723%0.232CC..Hα-helixtrans-64.3-47.7179.6-175.493.8000112.8I432 I434 I437 H443 F445 V461 G465 N469 R470 L471I432-W467 HydrophobicContact CG2-CH2 4.14Å; I434-W467 HydrophobicContact CB-CZ2 4.37Å; I434-W467 HydrophobicContact CD1-CH2 3.98Å; I434-W467 HydrophobicContact CD1-CZ2 4.01Å; I434-W467 HydrophobicContact CG1-CZ2 4.2Å; I437-W467 HydrophobicContact CG2-CG 4.44Å; H443-W467 HydrophobicContact CB-CE3 4.28Å; H443-W467 HydrophobicContact CB-CZ3 4.32Å; H443-W467 AromaticContact CD2-CD1 3.54Å; H443-W467 AromaticContact CD2-CD2 3.31Å; H443-W467 AromaticContact CD2-CE2 3.43Å; H443-W467 VanDerWaalsContact CD2-CE2 3.43Å; H443-W467 AromaticContact CD2-CE3 3.89Å; H443-W467 AromaticContact CD2-CG 3.42Å; H443-W467 VanDerWaalsContact CD2-CG 3.42Å; H443-W467 AromaticContact CD2-NE1 3.53Å; H443-W467 AromaticContact CE1-CG 3.74Å; H443-W467 AromaticContact CG-CD2 3.84Å; H443-W467 AromaticContact CG-CE3 3.94Å; H443-W467 WeakPolarHBondContact NE2-CB 3.48Å; H443-W467 AromaticContact NE2-CD1 3.23Å; H443-W467 AromaticContact NE2-CD2 3.57Å; H443-W467 AromaticContact NE2-CE2 3.97Å; H443-W467 AromaticContact NE2-CG 3.1Å; H443-W467 AromaticContact NE2-NE1 3.73Å; F445-W467 HydrophobicContact CE2-CE3 4.38Å; F445-W467 AromaticContact CE2-CH2 3.88Å; F445-W467 HydrophobicContact CE2-CH2 3.88Å; F445-W467 AromaticContact CE2-CZ3 3.49Å; F445-W467 HydrophobicContact CE2-CZ3 3.49Å; F445-W467 VanDerWaalsContact CE2-CZ3 3.49Å; F445-W467 HydrophobicContact CZ-CE3 4.15Å; F445-W467 HydrophobicContact CZ-CH2 4.38Å; F445-W467 AromaticContact CZ-CZ3 3.54Å; F445-W467 HydrophobicContact CZ-CZ3 3.54Å; V461-W467 HydrophobicContact CG1-CZ3 4.37Å; G465-W467 PolarHBondContact O-N 2.62Å; W467-N469 VanDerWaalsContact C-N 3.3Å; W467-N469 PolarHBondContact O-N 2.86Å; W467-R470 PolarHBondContact O-N 3.36Å; W467-L471 HydrophobicContact CH2-CD2 3.96Å; W467-L471 HydrophobicContact CZ3-CD2 3.87Å; W467-L471 PolarHBondContact O-N 2.95Å
468T90.1Very high86.5Confident17 Ų1756.6 Ų56.610%0.10427%0.265CS..Hα-helixtrans-66.4-33.6179.955.30000112.1F445 V461 R462 M464 G465 L471 Y472F445-T468 HydrophobicContact CE1-CG2 4.38Å; F445-T468 HydrophobicContact CZ-CG2 4.06Å; V461-T468 HydrophobicContact CG1-CG2 3.73Å; R462-T468 WeakPolarHBondContact O-CB 3.18Å; M464-T468 PolarHBondContact N-OG1 2.97Å; G465-T468 PolarHBondContact N-OG1 2.85Å; G465-T468 PolarHBondContact O-N 3.19Å; G465-T468 PolarHBondContact O-OG1 3.05Å; T468-L471 WeakPolarHBondContact O-CB 3.3Å; T468-L471 PolarHBondContact O-N 3.18Å; T468-Y472 PolarHBondContact O-N 3.49Å
469N89.1Confident84.6Confident68 Ų6859.2 Ų59.236%0.36428%0.281SS..Hα-helixtrans-70-42.7175.5-67.4-8.9000110.6S463 G465 Q466 W467 L471 Y472 E473S463-N469 WeakPolarHBondContact CA-OD1 3.49Å; S463-N469 VanDerWaalsContact CB-OD1 3.25Å; S463-N469 WeakPolarHBondContact CB-OD1 3.4Å; G465-N469 VanDerWaalsContact O-CB 3.24Å; G465-N469 WeakPolarHBondContact O-CB 3.39Å; G465-N469 PolarHBondContact O-N 3.08Å; G465-N469 PolarHBondContact O-ND2 3.44Å; G465-N469 PolarHBondContact O-OD1 2.87Å; Q466-N469 PolarHBondContact O-N 3.31Å; W467-N469 VanDerWaalsContact C-N 3.3Å; W467-N469 PolarHBondContact O-N 2.86Å; N469-L471 VanDerWaalsContact C-N 3.3Å; N469-L471 PolarHBondContact O-N 3.5Å; N469-Y472 PolarHBondContact O-N 3.41Å; N469-E473 WeakPolarHBondContact O-CB 3.14Å; N469-E473 WeakPolarHBondContact O-CG 3.49Å; N469-E473 PolarHBondContact O-N 3.39Å
470R90.1Very high82Confident102 Ų10264.9 Ų64.939%0.38532%0.32SS..Hα-helixtrans-58.6-42.6173.2-76.6-170.7-67178.8-3.8111.5E349 I437 E441 Q466 W467 Y474E349-R470 IonicContact OE1-NH2 3.67Å; I437-R470 HydrophobicContact CG2-CB 3.95Å; E441-R470 IonicContact OE1-NH2 3.64Å; E441-R470 PolarHBondContact OE1-NH2 3.23Å; E441-R470 IonicContact OE2-NH2 2.94Å; Q466-R470 WeakPolarHBondContact O-CB 3.32Å; Q466-R470 WeakPolarHBondContact O-CG 3.27Å; Q466-R470 PolarHBondContact O-N 3.11Å; W467-R470 PolarHBondContact O-N 3.36Å; R470-Y474 WeakPolarHBondContact O-CB 3.45Å; R470-Y474 PolarHBondContact O-N 3.4Å
471L91.7Very high79.6Confident0 Ų072.3 Ų72.30%036%0.355CS..Hα-helixtrans-58.5-51.4175179.972.8000111.4T412 L414 I434 I437 V461 W467 T468 N469 Y474 F475T412-L471 HydrophobicContact CG2-CD2 4.42Å; L414-L471 HydrophobicContact CD1-CD2 4.24Å; I434-L471 HydrophobicContact CD1-CD1 3.68Å; I437-L471 HydrophobicContact CD1-CD1 4.31Å; I437-L471 HydrophobicContact CG1-CD1 3.86Å; V461-L471 HydrophobicContact CB-CD2 4.22Å; V461-L471 HydrophobicContact CG1-CD2 3.93Å; V461-L471 HydrophobicContact CG2-CD2 4.41Å; W467-L471 HydrophobicContact CH2-CD2 3.96Å; W467-L471 HydrophobicContact CZ3-CD2 3.87Å; W467-L471 PolarHBondContact O-N 2.95Å; T468-L471 WeakPolarHBondContact O-CB 3.3Å; T468-L471 PolarHBondContact O-N 3.18Å; N469-L471 VanDerWaalsContact C-N 3.3Å; N469-L471 PolarHBondContact O-N 3.5Å; L471-Y474 PolarHBondContact O-N 2.98Å; L471-F475 HydrophobicContact CD1-CD2 4.16Å; L471-F475 HydrophobicContact CD1-CE2 3.66Å; L471-F475 HydrophobicContact CG-CD2 4.48Å; L471-F475 HydrophobicContact CG-CE2 4.42Å; L471-F475 VanDerWaalsContact O-CD2 3.25Å; L471-F475 WeakPolarHBondContact O-CD2 3.35Å; L471-F475 PolarHBondContact O-N 2.86Å
472Y91.9Very high77Confident34 Ų3475.1 Ų75.113%0.13338%0.378CS..Hα-helixtrans-63.3-47.3-179.2-174.6-87000112L406 K410 T412 S463 T468 N469 Y474 F475 R476L406-Y472 HydrophobicContact CB-CE2 4.37Å; L406-Y472 HydrophobicContact CD2-CD2 3.9Å; L406-Y472 HydrophobicContact CD2-CE2 3.88Å; K410-Y472 VanDerWaalsContact CA-CE2 3.46Å; K410-Y472 HydrophobicContact CB-CD2 4.33Å; K410-Y472 HydrophobicContact CB-CE2 4.09Å; K410-Y472 HydrophobicContact CG-CE1 4.44Å; T412-Y472 WeakPolarHBondContact OG1-CD2 3.45Å; S463-Y472 WeakPolarHBondContact OG-CB 3.25Å; S463-Y472 WeakPolarHBondContact OG-CD2 3.19Å; T468-Y472 PolarHBondContact O-N 3.49Å; N469-Y472 PolarHBondContact O-N 3.41Å; Y472-Y474 PolarHBondContact O-N 3.31Å; Y472-F475 PolarHBondContact O-N 2.84Å; Y472-R476 HydrophobicContact CD1-CB 4.49Å; Y472-R476 HydrophobicContact CE1-CB 4.44Å; Y472-R476 WeakPolarHBondContact O-CB 3.31Å; Y472-R476 PolarHBondContact O-N 3.18Å
473E90.5Very high74.3Confident65 Ų6577.3 Ų77.330%0.30440%0.4SS..Hα-helixtrans-66.2-36.2-179.7-69.4-61.5155.300112.4N469 F475 R476 Q477N469-E473 WeakPolarHBondContact O-CB 3.14Å; N469-E473 WeakPolarHBondContact O-CG 3.49Å; N469-E473 PolarHBondContact O-N 3.39Å; E473-F475 VanDerWaalsContact C-N 3.29Å; E473-F475 PolarHBondContact O-N 3.47Å; E473-R476 PolarHBondContact O-N 2.77Å; E473-R476 VanDerWaalsContact O-N 3.15Å; E473-R476 IonicContact OE1-NH1 3.3Å; E473-R476 PolarHBondContact OE1-NH1 3.15Å; E473-R476 WeakPolarHBondContact OE2-CD 3.44Å; E473-R476 IonicContact OE2-NH1 2.71Å; E473-Q477 WeakPolarHBondContact O-CG 3.31Å; E473-Q477 PolarHBondContact O-N 3.28Å
474Y89.8Confident71.6Confident89 Ų8980.6 Ų80.635%0.34942%0.422SS..Hα-helixtrans-56.8-42.7174.4177.3-97.4000112V436 I437 R470 L471 Y472 I580V436-Y474 HydrophobicContact CG1-CE1 4.21Å; V436-Y474 HydrophobicContact CG1-CE2 3.75Å; I437-Y474 HydrophobicContact CD1-CD1 3.9Å; I437-Y474 HydrophobicContact CD1-CD2 4.19Å; I437-Y474 HydrophobicContact CD1-CG 3.63Å; R470-Y474 WeakPolarHBondContact O-CB 3.45Å; R470-Y474 PolarHBondContact O-N 3.4Å; L471-Y474 PolarHBondContact O-N 2.98Å; Y472-Y474 PolarHBondContact O-N 3.31Å; Y474-I580 HydrophobicContact CE1-CD1 3.94Å
475F88.4Confident69.6Low8 Ų878.8 Ų78.84%0.03542%0.421CS..Hα-helixtrans-85.3-17177.3-69.7-67.3000113.8V404 L406 T412 L414 L471 Y472 E473 R576 I580V404-F475 HydrophobicContact CB-CD1 4.23Å; V404-F475 HydrophobicContact CB-CE1 4.29Å; V404-F475 HydrophobicContact CB-CG 4.43Å; V404-F475 HydrophobicContact CG1-CB 4.18Å; V404-F475 HydrophobicContact CG1-CD1 4.08Å; V404-F475 HydrophobicContact CG1-CD2 3.86Å; V404-F475 HydrophobicContact CG1-CE1 4.44Å; V404-F475 HydrophobicContact CG1-CE2 4.23Å; V404-F475 HydrophobicContact CG1-CG 3.78Å; V404-F475 HydrophobicContact CG2-CD1 4.25Å; V404-F475 HydrophobicContact CG2-CE1 3.82Å; V404-F475 HydrophobicContact CG2-CE2 4.12Å; V404-F475 HydrophobicContact CG2-CZ 3.75Å; L406-F475 HydrophobicContact CD1-CB 4.42Å; L406-F475 HydrophobicContact CD2-CB 4.04Å; L406-F475 HydrophobicContact CG-CB 4.48Å; T412-F475 HydrophobicContact CG2-CD2 4.46Å; L414-F475 HydrophobicContact CD2-CE2 4.46Å; L471-F475 HydrophobicContact CD1-CD2 4.16Å; L471-F475 HydrophobicContact CD1-CE2 3.66Å; L471-F475 HydrophobicContact CG-CD2 4.48Å; L471-F475 HydrophobicContact CG-CE2 4.42Å; L471-F475 VanDerWaalsContact O-CD2 3.25Å; L471-F475 WeakPolarHBondContact O-CD2 3.35Å; L471-F475 PolarHBondContact O-N 2.86Å; Y472-F475 PolarHBondContact O-N 2.84Å; E473-F475 VanDerWaalsContact C-N 3.29Å; E473-F475 PolarHBondContact O-N 3.47Å; F475-R576 PolarHBondContact O-NE 3.03Å; F475-R576 PolarHBondContact O-NH1 3.25Å; F475-R576 VanDerWaalsContact O-NH1 3.11Å; F475-R576 PolarHBondContact O-NH2 3.49Å; F475-R576 VanDerWaalsContact O-NH2 3.11Å; F475-I580 HydrophobicContact CE1-CD1 3.5Å; F475-I580 HydrophobicContact CZ-CD1 3.46Å; F475-I580 VanDerWaalsContact CZ-CD1 3.46Å
476R85.7Confident67.7Low138 Ų13885.4 Ų85.452%0.52144%0.443SS..Hα-helixtrans-75.5-38.2176.3-175.7-175171.2-169.8-4.7111.7L406 Y472 E473 P478L406-R476 HydrophobicContact CD1-CB 3.99Å; Y472-R476 HydrophobicContact CD1-CB 4.49Å; Y472-R476 HydrophobicContact CE1-CB 4.44Å; Y472-R476 WeakPolarHBondContact O-CB 3.31Å; Y472-R476 PolarHBondContact O-N 3.18Å; E473-R476 PolarHBondContact O-N 2.77Å; E473-R476 VanDerWaalsContact O-N 3.15Å; E473-R476 IonicContact OE1-NH1 3.3Å; E473-R476 PolarHBondContact OE1-NH1 3.15Å; E473-R476 WeakPolarHBondContact OE2-CD 3.44Å; E473-R476 IonicContact OE2-NH1 2.71Å; R476-P478 WeakPolarHBondContact O-CD 3.25Å
477Q77.4Confident65.7Low128 Ų12888.9 Ų88.960%0.59846%0.459SS*.SBendtrans-63.7121.5179.4-70.8178.29.800109.7E473 E479 R576E473-Q477 WeakPolarHBondContact O-CG 3.31Å; E473-Q477 PolarHBondContact O-N 3.28Å; Q477-E479 PolarHBondContact O-N 3.07Å; Q477-R576 VanDerWaalsContact C-NH2 3.33Å; Q477-R576 VanDerWaalsContact O-CZ 3.29Å; Q477-R576 PolarHBondContact O-NH1 3.26Å; Q477-R576 PolarHBondContact O-NH2 3.15Å
478P57.1Low63.5Low106 Ų10694.6 Ų94.669%0.68849%0.489SS*.  trans-60.7122.4169.223.1-28.7000107.8R476 S480R476-P478 WeakPolarHBondContact O-CD 3.25Å; P478-S480 PolarHBondContact O-N 3.19Å
479E51.8Low61.3Low122 Ų12296.2 Ų96.257%0.5750%0.504SS*.  trans-59.3109.5-178.3-84.8-178.6159.100110.1Q477 A482Q477-E479 PolarHBondContact O-N 3.07Å; E479-A482 VanDerWaalsContact CD-CB 3.46Å; E479-A482 HydrophobicContact CG-CB 4.49Å; E479-A482 VanDerWaalsContact OE1-CB 3.3Å; E479-A482 WeakPolarHBondContact OE1-CB 3.34Å; E479-A482 WeakPolarHBondContact OE2-CB 3.45Å
480S41.1Very low59.2Low119 Ų11997.2 Ų97.283%0.83251%0.513SS*.SBendtrans-82.6-1154.849.70000112P478P478-S480 PolarHBondContact O-N 3.19Å
481Q41.8Very low57Low179 Ų17995.8 Ų95.884%0.83652%0.518SS*.SBendtrans-151.781.4-178.3-68.2-174.7-11.300114
482A35.1Very low55Low61 Ų6199.5 Ų99.550%0.50454%0.538SS..  trans-157.655.1148.600000112.3E479 C484E479-A482 VanDerWaalsContact CD-CB 3.46Å; E479-A482 HydrophobicContact CG-CB 4.49Å; E479-A482 VanDerWaalsContact OE1-CB 3.3Å; E479-A482 WeakPolarHBondContact OE1-CB 3.34Å; E479-A482 WeakPolarHBondContact OE2-CB 3.45Å; A482-C484 PolarHBondContact O-N 3.14Å
483V32.6Very low53.2Low126 Ų126107 Ų10776%0.76457%0.566SS**  trans-65.8103.2155.5176.70000106.8P485V483-P485 WeakPolarHBondContact O-CD 3.32Å
484C31.6Very low51.4Low81 Ų81110.1 Ų110.155%0.54758%0.579SS.*  trans-67109160.1-166.80000107A482 K486A482-C484 PolarHBondContact O-N 3.14Å; C484-K486 PolarHBondContact O-N 2.83Å
485P36.6Very low49.6Very low99 Ų99110.9 Ų110.964%0.64359%0.586SS**THydrogen-bonded Turntrans-70.6-3.6-169.5-15.630.7000113.4V483 A489V483-P485 WeakPolarHBondContact O-CD 3.32Å; P485-A489 WeakPolarHBondContact O-CB 3.46Å
486K38.3Very low48Very low164 Ų164119.5 Ų119.571%0.71362%0.618SS**THydrogen-bonded Turntrans-113.3-7-166.5-68.3-173.9178179.20115.6C484 T490C484-K486 PolarHBondContact O-N 2.83Å; K486-T490 VanDerWaalsContact O-CB 3.3Å; K486-T490 WeakPolarHBondContact O-CB 3.41Å; K486-T490 PolarHBondContact O-OG1 3.3Å
487Q41.9Very low46.6Very low154 Ų154119.1 Ų119.172%0.7262%0.622SS**THydrogen-bonded Turntrans-94.5-45.2173.4-78.8-172.2-1700112.6T490 S491Q487-T490 PolarHBondContact O-N 3.04Å; Q487-S491 WeakPolarHBondContact O-CB 3.32Å; Q487-S491 PolarHBondContact O-N 3.4Å
488L41.8Very low45.5Very low126 Ų126117.8 Ų117.866%0.6662%0.616SS**Hα-helixtrans-66.5-40.6176.9-159.678.4000111.7T490 S491 L492L488-T490 VanDerWaalsContact C-N 3.3Å; L488-T490 PolarHBondContact O-N 2.88Å; L488-S491 PolarHBondContact O-N 3.38Å; L488-L492 HydrophobicContact CD2-CD1 4.13Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.33Å; L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 WeakPolarHBondContact O-CG 3.34Å; L488-L492 PolarHBondContact O-N 2.88Å
489A42.6Very low45.3Very low51 Ų51119.7 Ų119.742%0.42161%0.613SS.*Hα-helixtrans-65.6-32.6176.600000113P485 R493P485-A489 WeakPolarHBondContact O-CB 3.46Å; A489-R493 VanDerWaalsContact O-CB 3.24Å; A489-R493 WeakPolarHBondContact O-CB 3.25Å; A489-R493 WeakPolarHBondContact O-CG 3.39Å; A489-R493 PolarHBondContact O-N 3.43Å
490T44.3Very low45.2Very low89 Ų89123.1 Ų123.155%0.54662%0.621SS.*Hα-helixtrans-78.9-38.6177.7-520000111K486 Q487 L488 R493 K494K486-T490 VanDerWaalsContact O-CB 3.3Å; K486-T490 WeakPolarHBondContact O-CB 3.41Å; K486-T490 PolarHBondContact O-OG1 3.3Å; Q487-T490 PolarHBondContact O-N 3.04Å; L488-T490 VanDerWaalsContact C-N 3.3Å; L488-T490 PolarHBondContact O-N 2.88Å; T490-R493 PolarHBondContact O-N 3.1Å; T490-K494 WeakPolarHBondContact O-CB 3.34Å; T490-K494 PolarHBondContact O-N 3.38Å
491S44.3Very low45.7Very low72 Ų72124 Ų12450%0.50361%0.612SS.*Hα-helixtrans-67.8-39.9173.9-145.40000111.9Q487 L488 K494 Q495Q487-S491 WeakPolarHBondContact O-CB 3.32Å; Q487-S491 PolarHBondContact O-N 3.4Å; L488-S491 PolarHBondContact O-N 3.38Å; S491-K494 PolarHBondContact O-N 3.42Å; S491-Q495 WeakPolarHBondContact O-CB 3.37Å; S491-Q495 PolarHBondContact O-N 2.92Å
492L49.5Very low46.2Very low78 Ų78121.9 Ų121.941%0.40860%0.602SS.*Hα-helixtrans-70.7-32.1173.9-71.3170.7000112.4L488 R496L488-L492 HydrophobicContact CD2-CD1 4.13Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.33Å; L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 WeakPolarHBondContact O-CG 3.34Å; L488-L492 PolarHBondContact O-N 2.88Å; L492-R496 WeakPolarHBondContact O-CB 3.24Å; L492-R496 VanDerWaalsContact O-CG 3.24Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 2.92Å
493R55.6Low46.6Very low191 Ų191126 Ų12672%0.72161%0.609SS**Hα-helixtrans-68.5-40.8170.6-91.4-178.8171.5175.6-2.1111.7A489 T490 R496 Q497A489-R493 VanDerWaalsContact O-CB 3.24Å; A489-R493 WeakPolarHBondContact O-CB 3.25Å; A489-R493 WeakPolarHBondContact O-CG 3.39Å; A489-R493 PolarHBondContact O-N 3.43Å; T490-R493 PolarHBondContact O-N 3.1Å; R493-R496 PolarHBondContact O-N 3Å; R493-Q497 WeakPolarHBondContact O-CB 3.3Å; R493-Q497 WeakPolarHBondContact O-CG 3.47Å; R493-Q497 PolarHBondContact O-N 2.91Å
494K51.8Low47.2Very low131 Ų131125.3 Ų125.357%0.5760%0.601SS**Hα-helixtrans-66.4-45.5176.8-152.7178.7-178.9-171.70111.1T490 S491 R496 Q497 E498T490-K494 WeakPolarHBondContact O-CB 3.34Å; T490-K494 PolarHBondContact O-N 3.38Å; S491-K494 PolarHBondContact O-N 3.42Å; K494-R496 PolarHBondContact O-N 3.44Å; K494-Q497 PolarHBondContact O-N 2.97Å; K494-E498 WeakPolarHBondContact O-CB 3.43Å; K494-E498 WeakPolarHBondContact O-CG 3.11Å; K494-E498 PolarHBondContact O-N 3.5Å
495Q52.3Low47.9Very low106 Ų106128.7 Ų128.750%0.49561%0.608SS.*Hα-helixtrans-63.9-34.9171.5-90.8-172.5-21.300113.6S491 K499S491-Q495 WeakPolarHBondContact O-CB 3.37Å; S491-Q495 PolarHBondContact O-N 2.92Å; Q495-K499 VanDerWaalsContact O-CB 3.24Å; Q495-K499 WeakPolarHBondContact O-CB 3.4Å; Q495-K499 WeakPolarHBondContact O-CG 3.36Å; Q495-K499 PolarHBondContact O-N 3.25Å
496R55Low48.1Very low188 Ų188130.9 Ų130.971%0.70961%0.612SS**Hα-helixtrans-73.9-31.3174.5-81.3178.7175.8178.6-0.3112.5L492 R493 K494 R500L492-R496 WeakPolarHBondContact O-CB 3.24Å; L492-R496 VanDerWaalsContact O-CG 3.24Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 2.92Å; R493-R496 PolarHBondContact O-N 3Å; K494-R496 PolarHBondContact O-N 3.44Å; R496-R500 VanDerWaalsContact O-CB 3.27Å; R496-R500 WeakPolarHBondContact O-CB 3.41Å; R496-R500 PolarHBondContact O-N 3.05Å
497Q55.9Low48.3Very low131 Ų131131.3 Ų131.361%0.61261%0.614SS**Hα-helixtrans-71.8-42.4172.4-84.7-179.8-50.800111.3R493 K494 R500 Q501R493-Q497 WeakPolarHBondContact O-CB 3.3Å; R493-Q497 WeakPolarHBondContact O-CG 3.47Å; R493-Q497 PolarHBondContact O-N 2.91Å; K494-Q497 PolarHBondContact O-N 2.97Å; Q497-R500 PolarHBondContact O-N 2.91Å; Q497-Q501 WeakPolarHBondContact O-CB 3.46Å; Q497-Q501 PolarHBondContact O-N 2.96Å
498E54.4Low48.3Very low99 Ų99131.3 Ų131.346%0.46362%0.618SS.*Hα-helixtrans-63.8-43.4173.4-73.4166.5-175.200111.1K494 R500 Q501 Q502K494-E498 WeakPolarHBondContact O-CB 3.43Å; K494-E498 WeakPolarHBondContact O-CG 3.11Å; K494-E498 PolarHBondContact O-N 3.5Å; E498-R500 PolarHBondContact O-N 3.01Å; E498-Q501 PolarHBondContact O-N 3.47Å; E498-Q502 WeakPolarHBondContact O-CB 3.46Å; E498-Q502 PolarHBondContact O-N 3.03Å
499K52Low48.2Very low147 Ų147130 Ų13064%0.63962%0.619SS**Hα-helixtrans-66.3-33.8172.7-80.5-177.3174.9-178.80113.3Q495 K503Q495-K499 VanDerWaalsContact O-CB 3.24Å; Q495-K499 WeakPolarHBondContact O-CB 3.4Å; Q495-K499 WeakPolarHBondContact O-CG 3.36Å; Q495-K499 PolarHBondContact O-N 3.25Å; K499-K503 VanDerWaalsContact O-CB 3.22Å; K499-K503 WeakPolarHBondContact O-CB 3.41Å; K499-K503 PolarHBondContact O-N 3.2Å
500R50.8Low47.8Very low193 Ų193132.3 Ų132.373%0.72863%0.632SS**Hα-helixtrans-73-36.2174.4-93-178.5162.9179.7-5.2112.2R496 Q497 E498 K503 N504R496-R500 VanDerWaalsContact O-CB 3.27Å; R496-R500 WeakPolarHBondContact O-CB 3.41Å; R496-R500 PolarHBondContact O-N 3.05Å; Q497-R500 PolarHBondContact O-N 2.91Å; E498-R500 PolarHBondContact O-N 3.01Å; R500-K503 PolarHBondContact O-N 2.88Å; R500-N504 WeakPolarHBondContact O-CB 3.38Å; R500-N504 PolarHBondContact O-N 3.37Å
501Q52.3Low47.5Very low139 Ų139137.2 Ų137.265%0.6565%0.649SS**Hα-helixtrans-67.8-40.7173.7-81.3178.3-24.800111.3Q497 E498 Q505Q497-Q501 WeakPolarHBondContact O-CB 3.46Å; Q497-Q501 PolarHBondContact O-N 2.96Å; E498-Q501 PolarHBondContact O-N 3.47Å; Q501-Q505 WeakPolarHBondContact O-CB 3.38Å; Q501-Q505 PolarHBondContact O-N 3.32Å
502Q51.3Low46.9Very low134 Ų134138.5 Ų138.563%0.62666%0.658SS**Hα-helixtrans-64-40.7170.5-95176.8-15.800112.6E498 Q505 M506E498-Q502 WeakPolarHBondContact O-CB 3.46Å; E498-Q502 PolarHBondContact O-N 3.03Å; Q502-Q505 PolarHBondContact O-N 2.85Å; Q502-M506 PolarHBondContact O-N 3.47Å
503K44.8Very low46Very low148 Ų148143.4 Ų143.464%0.64368%0.679SS**Hα-helixtrans-71.7-32.4179.9-151.4175.2-169.9-175.90113.1K499 R500 M506 F507K499-K503 VanDerWaalsContact O-CB 3.22Å; K499-K503 WeakPolarHBondContact O-CB 3.41Å; K499-K503 PolarHBondContact O-N 3.2Å; R500-K503 PolarHBondContact O-N 2.88Å; K503-M506 PolarHBondContact O-N 3.41Å; K503-F507 PolarHBondContact O-N 3.35Å; K503-F507 VanDerWaalsContact O-N 3.15Å
504N45.1Very low44.9Very low111 Ų111143.1 Ų143.159%0.59468%0.683SS**Hα-helixtrans-74.8-34172.3-84.810.1000112.3R500 M506 F507 L508R500-N504 WeakPolarHBondContact O-CB 3.38Å; R500-N504 PolarHBondContact O-N 3.37Å; N504-M506 VanDerWaalsContact C-N 3.29Å; N504-F507 PolarHBondContact O-N 3.31Å; N504-L508 PolarHBondContact O-N 2.77Å
505Q46.1Very low43.9Very low151 Ų151142.1 Ų142.171%0.70669%0.692SS**Hα-helixtrans-65.6-32.2170.1-97.6177.1-13.700112.3Q501 Q502Q501-Q505 WeakPolarHBondContact O-CB 3.38Å; Q501-Q505 PolarHBondContact O-N 3.32Å; Q502-Q505 PolarHBondContact O-N 2.85Å
506M40.3Very low42.7Very low146 Ų146144 Ų14472%0.71971%0.711SS**Hα-helixtrans-75.4-29.4176.2-117.7175.1-170.100114.2Q502 K503 N504 S509Q502-M506 PolarHBondContact O-N 3.47Å; K503-M506 PolarHBondContact O-N 3.41Å; N504-M506 VanDerWaalsContact C-N 3.29Å; M506-S509 PolarHBondContact O-OG 3.13Å
507F42.1Very low41.4Very low172 Ų172139.3 Ų139.375%0.75471%0.712SS**Hα-helixtrans-81.9-19.6-178.2-125.5-91.8000113.4K503 N504K503-F507 PolarHBondContact O-N 3.35Å; K503-F507 VanDerWaalsContact O-N 3.15Å; N504-F507 PolarHBondContact O-N 3.31Å
508L41.9Very low40Very low155 Ų155138.6 Ų138.681%0.81272%0.721SS**SBendtrans-92.2-7.4179.5-86.2149.8000113.8N504N504-L508 PolarHBondContact O-N 2.77Å
509S38.9Very low38.7Very low97 Ų97140.9 Ų140.968%0.67874%0.737SS**SBendtrans-104.610.8-178.866.10000114.4M506M506-S509 PolarHBondContact O-OG 3.13Å
510S34.9Very low37.6Very low100 Ų100142.1 Ų142.170%0.69975%0.745SS**SBendtrans-124.512.5-173.7166.90000114.6
511E37.9Very low36.5Very low192 Ų192139.3 Ų139.390%0.89774%0.744SS**  trans-113.766.3166.4-81.8-170.3155.200111.2
512S31.5Very low35.3Very low99 Ų99139.6 Ų139.669%0.69275%0.751SS**SBendtrans-159115.9148.872.60000112.1
513Q30.9Very low34.1Very low181 Ų181139.1 Ų139.185%0.84676%0.757SS**  trans79.5127162.3-55.2178.4-14.500117.9
514K33.2Very low33.2Very low186 Ų186139.9 Ų139.981%0.80977%0.766SS**  cis-177.3151.8-17.4-119.2172.3-175.6-178.20107.3
515S29.6Very low32.2Very low109 Ų109144.5 Ų144.576%0.76278%0.781SS**  trans59.4111.7153.856.90000122.9
516V28.1Very low31.1Very low146 Ų146145.1 Ų145.189%0.88579%0.788SS**  6.7135128.9-156.60000116.1
517A27.2Very low30.4Very low90 Ų90143.9 Ų143.974%0.74479%0.789SS**  cis-169164.944.100000114.1
518S26.3Very low29.5Very low115 Ų115143.2 Ų143.280%0.80479%0.79SS**  trans98.6118.6142.1-157.90000121.7
519N27.5Very low28.6Very low147 Ų147144.3 Ų144.379%0.78679%0.789SS**  trans-43.2143.1172.8-53.1-24.4000117.7
520Q28.9Very low27.9Very low174 Ų174149.8 Ų149.881%0.81380%0.795SS**  176.3130.9100.2-101.8177.7-23.800112.6
521D27.7Very low27.5Very low133 Ų133151.3 Ų151.371%0.71179%0.791SS**  trans49119.1143.7-54.9-17000123.9
522D28.2Very low26.9Very low146 Ų146149 Ų14978%0.78178%0.784SS**  trans55.6108.8133.6-65.9-17.9000121.6
523T24.8Very low26.7Very low124 Ų124147.6 Ų147.676%0.76179%0.786SS**  164.8123.299.3-57.80000111.2
524I25.8Very low26.6Very low163 Ų163144.2 Ų144.284%0.83678%0.782SS**  trans19.6123.4158.2-50.7176000119.4
525K24.1Very low26.4Very low208 Ų208143.7 Ų143.790%0.90478%0.783SS**  trans-125.9130.2166.6-110.6-179.2-177.71750113.6
526L23.8Very low26.3Very low164 Ų164143.9 Ų143.986%0.85978%0.784SS**  trans-73.3148.4160.7-115.4114.4000111.1
527T24.8Very low26.3Very low120 Ų120140.2 Ų140.274%0.73678%0.775SS**  trans-59.6135.3174.237.70000116
528M24.3Very low26.3Very low159 Ų159142.1 Ų142.178%0.78378%0.783SS**  150.8141.5108.9-85.8-121.6-80.600114.8
529F22.8Very low26.3Very low178 Ų178141.2 Ų141.278%0.78178%0.783SS**  trans80.7109.5143.3-104.9-102.8000122.9
530R23.5Very low26.1Very low211 Ų211139.5 Ų139.580%0.79678%0.782SS**  167.4159107.6-115.2-176.4159157-5.6107.3
531Q26.6Very low26Very low133 Ų133138.7 Ų138.762%0.62178%0.783SS**  cis-175.4167.829.3-136.4171.9-1.500110.2
532N24.6Very low27Very low142 Ų142137.2 Ų137.276%0.75978%0.781SS**  trans52.7123.3144-69.7-5.9000124.5
533G28.3Very low26.9Very low70 Ų70138.8 Ų138.872%0.72278%0.784SS**  83.2142.394.500000123.4
534S28Very low26.9Very low110 Ų110138.6 Ų138.677%0.76978%0.783SS**  trans98.6151.1149.982.30000119.2
535Q29.3Very low26.8Very low176 Ų176139.2 Ų139.282%0.82278%0.782SS**  cis-173.5157.95.7-125.8169.822.600114.2
536S28.7Very low26.8Very low113 Ų113134.1 Ų134.179%0.7977%0.768SS**  trans21.8157.8146.358.10000126
537G27.4Very low26.8Very low68 Ų68134.2 Ų134.270%0.70176%0.764SS**  cis174.1-156.54.100000117.5
538S26.4Very low26.7Very low131 Ų131137.3 Ų137.392%0.91677%0.768SS**  trans87.5139.4174.380.50000119.1
539A26Very low27.2Very low95 Ų95134.8 Ų134.879%0.78576%0.763SS**  cis-162.61670.200000114.1
540S25.1Very low27.7Very low111 Ų111131 Ų13178%0.77676%0.757SS**  trans81.4101.715569.40000125.7
541D25.1Very low27.8Very low157 Ų157129.5 Ų129.584%0.8476%0.758SS**  36.2162.5126.6-67.4-12.6000125.3
542P48.8Very low27.6Very low103 Ų103131.6 Ų131.667%0.66977%0.768SS**  cis-142.7-172.6-43.641.3-22.2000115.7
543E26.2Very low27.5Very low179 Ų179130.3 Ų130.384%0.83677%0.771SS**  trans82138.5162.3-63.8178.5176.400119
544T25.8Very low27.2Very low119 Ų119130.3 Ų130.373%0.7377%0.771SS**  cis-158.1122.717.9-19.70000107.3
545Q22.9Very low27Very low177 Ų177135 Ų13583%0.82778%0.777SS**  55.4121.495.5-95.7-169.930.700114.5
546V24.6Very low26.6Very low101 Ų101133.4 Ų133.461%0.61278%0.78SS**  -179.5141.661.4148.90000113.2
547E23.3Very low26.4Very low165 Ų165136.7 Ų136.777%0.77178%0.783SS**  trans51.3146.7144.8-71.3159.217600124.9
548F23.1Very low26.2Very low186 Ų186144.6 Ų144.682%0.81679%0.791SS**  cis169.4-172.3-20.5-111.5-69.5000105.6
549P33.9Very low26Very low105 Ų105141.9 Ų141.968%0.68279%0.785SS**  -120.3-144.6-110.244.6-20.5000112
550P35.2Very low25.9Very low100 Ų100146 Ų14665%0.64979%0.787SS**  cis-136.1168.8-14.234.8-13.1000117.9
551E24Very low25.8Very low178 Ų178147 Ų14783%0.83279%0.788SS**  trans46.2130.5137.6-64174.3162.100124.5
552E23.8Very low25.8Very low177 Ų177144.7 Ų144.783%0.82778%0.782SS**  173.9111.3105.4-92.3-174.6175.100109.7
553S21.9Very low24.7Very low116 Ų116145.9 Ų145.981%0.81179%0.79SS**  74.7128.896.892.90000115.9
554G22.3Very low24.6Very low70 Ų70145.5 Ų145.572%0.72279%0.793SS**  trans157.272.9168.700000118.8
555F23Very low24.5Very low208 Ų208151 Ų15191%0.91280%0.8SS**  trans31.3124.2142.1-78.4-94.1000122.7
556T20.6Very low24.6Very low143 Ų143151.8 Ų151.888%0.87780%0.804SS**  trans-107.6121.6160.235.20000110.9
557E24.9Very low24.6Very low182 Ų182153.2 Ų153.285%0.8581%0.812SS**  trans-133.5111.8157.5-96.4-165.9158.800111.6
558R23Very low24.6Very low233 Ų233150.4 Ų150.488%0.87981%0.811SS**  trans38.2114.7130.5-135.6177.7-81.1-1390.4120
559G22.9Very low24.8Very low75 Ų75145.9 Ų145.977%0.77381%0.808SS**  trans-148.2119.315300000109.1
560E23.2Very low24.5Very low180 Ų180150.5 Ų150.584%0.84182%0.817SS**  trans-71.3142.3-172.2-67.6170.3149.600113.2
561V23.8Very low24.3Very low132 Ų132151 Ų15180%0.882%0.823SS**  trans-122130.8164.8-179.30000107.1
562P25.2Very low25Very low110 Ų110144.6 Ų144.671%0.71481%0.805SS**PPolyproline II helixtrans-71.1150.3-173.929.2-34.2000111.7L564P562-L564 PolarHBondContact O-N 3.38Å
563P24.2Very low26.5Very low127 Ų127145.1 Ų145.183%0.82581%0.808SS**PPolyproline II helixtrans-73.1128.6-176.528.5-31.2000111R565P563-R565 PolarHBondContact O-N 3.36Å
564L25.6Very low28.5Very low171 Ų171144.4 Ų144.490%0.89580%0.795SS**PPolyproline II helixtrans-52.5120.5166.1-83.1143.4000109.8P562 E566P562-L564 PolarHBondContact O-N 3.38Å; L564-E566 PolarHBondContact O-N 3.43Å; L564-E566 VanDerWaalsContact O-N 3.16Å
565R23.4Very low31Very low236 Ų236144.2 Ų144.289%0.89178%0.775SS**  trans-54.3115.5162.5-89.5176.2167.3172.5-4.1108.5P563 V567P563-R565 PolarHBondContact O-N 3.36Å; R565-V567 PolarHBondContact O-N 2.95Å
566E25.2Very low33.7Very low192 Ų192137.2 Ų137.290%0.89774%0.742SS**  trans-59.2101.7165.2-77.3179.5151.200109.3L564 S568L564-E566 PolarHBondContact O-N 3.43Å; L564-E566 VanDerWaalsContact O-N 3.16Å; E566-S568 PolarHBondContact O-N 2.86Å
567V23.9Very low36.6Very low131 Ų131137.8 Ų137.879%0.79473%0.733SS**  trans-77.598.7159.7179.80000106.2R565 A569R565-V567 PolarHBondContact O-N 2.95Å; V567-A569 PolarHBondContact O-N 3.27Å
568S24.1Very low39.3Very low107 Ų107130.6 Ų130.675%0.74870%0.703SS**  trans-55.6100.4169.9179.80000109.8E566 K570E566-S568 PolarHBondContact O-N 2.86Å; S568-K570 PolarHBondContact O-N 2.91Å
569A27.3Very low42.3Very low91 Ų91125.3 Ų125.375%0.75269%0.692SS**  trans-71.4110.6168.700000108.2V567 S571V567-A569 PolarHBondContact O-N 3.27Å; A569-S571 PolarHBondContact O-N 3.02Å
570K26.1Very low45.4Very low201 Ų201122.7 Ų122.787%0.87466%0.66SS**  trans-52.5112.2169.3-70.2178.1177.9176.10108.9S568 G572S568-K570 PolarHBondContact O-N 2.91Å; K570-G572 PolarHBondContact O-N 2.95Å
571S32Very low48.6Very low110 Ų110118.6 Ų118.677%0.76964%0.639SS**  trans-59.3100.7166.81730000108.6A569A569-S571 PolarHBondContact O-N 3.02Å
572G39.2Very low51.8Low44 Ų44112.3 Ų112.345%0.45460%0.601SS.*  trans-71.4147.7-173.300000113.6K570 N574 H575K570-G572 PolarHBondContact O-N 2.95Å; G572-N574 PolarHBondContact O-N 2.92Å; G572-H575 PolarHBondContact O-N 3.08Å
573E55.1Low55Low188 Ų188109.5 Ų109.588%0.87958%0.577SS**THydrogen-bonded Turntrans-55.1-8.5-179.6-63.6177.8148.800115.5
574N62.8Low58Low101 Ų101103.6 Ų103.654%0.5454%0.538SS..THydrogen-bonded Turntrans-99.5-4.6-173.5-66.9-26.6000115L406 G572L406-N574 HydrophobicContact CB-CB 4.32Å; L406-N574 PolarHBondContact N-O 3.12Å; G572-N574 PolarHBondContact O-N 2.92Å
575H76.3Confident61Low66 Ų6696.8 Ų96.831%0.30650%0.503SS..EExtended strand (participates in β ladder)trans-109127.9-179.4171.385.7000110.3E403 N405 G572 F577E403-H575 IonicContact OE1-CE1 3.78Å; E403-H575 PolarHBondContact OE1-CE1 2.78Å; E403-H575 IonicContact OE1-ND1 3.55Å; E403-H575 PolarHBondContact OE1-ND1 2.95Å; E403-H575 IonicContact OE2-CE1 2.82Å; N405-H575 PolarHBondContact OD1-ND1 2.95Å; G572-H575 PolarHBondContact O-N 3.08Å; H575-F577 AromaticContact CD2-CE2 3.88Å; H575-F577 AromaticContact CE1-CZ 3.77Å; H575-F577 AromaticContact NE2-CD2 3.85Å; H575-F577 AromaticContact NE2-CE1 3.92Å; H575-F577 AromaticContact NE2-CE2 3.09Å; H575-F577 WeakPolarHBondContact NE2-CE2 3.4Å; H575-F577 AromaticContact NE2-CZ 3.13Å; H575-F577 WeakPolarHBondContact NE2-CZ 3.43Å
576R78.9Confident64Low62 Ų6285.9 Ų85.923%0.23446%0.464CS..EExtended strand (participates in β ladder)trans-135.1124.6-178-64.3-170.8-177.4-179.27.6112.1E403 V404 F475 Q477E403-R576 CarbonylContact C-O 3.56Å; E403-R576 WeakPolarHBondContact CA-O 3.24Å; V404-R576 PolarHBondContact N-O 2.94Å; V404-R576 PolarHBondContact O-N 3.11Å; F475-R576 PolarHBondContact O-NE 3.03Å; F475-R576 PolarHBondContact O-NH1 3.25Å; F475-R576 VanDerWaalsContact O-NH1 3.11Å; F475-R576 PolarHBondContact O-NH2 3.49Å; F475-R576 VanDerWaalsContact O-NH2 3.11Å; Q477-R576 VanDerWaalsContact C-NH2 3.33Å; Q477-R576 VanDerWaalsContact O-CZ 3.29Å; Q477-R576 PolarHBondContact O-NH1 3.26Å; Q477-R576 PolarHBondContact O-NH2 3.15Å
577F80.8Confident67.1Low154 Ų15478.4 Ų78.468%0.67543%0.432SS*.EExtended strand (participates in β ladder)trans-78129.6162.4-65.2-74.2000109.6V402 E403 H575V402-F577 WeakPolarHBondContact O-CA 3.36Å; E403-F577 HydrophobicContact CB-CD1 4.24Å; E403-F577 HydrophobicContact CB-CE1 4.41Å; E403-F577 HydrophobicContact CG-CD1 4.43Å; E403-F577 HydrophobicContact CG-CE1 4.33Å; H575-F577 AromaticContact CD2-CE2 3.88Å; H575-F577 AromaticContact CE1-CZ 3.77Å; H575-F577 AromaticContact NE2-CD2 3.85Å; H575-F577 AromaticContact NE2-CE1 3.92Å; H575-F577 AromaticContact NE2-CE2 3.09Å; H575-F577 WeakPolarHBondContact NE2-CE2 3.4Å; H575-F577 AromaticContact NE2-CZ 3.13Å; H575-F577 WeakPolarHBondContact NE2-CZ 3.43Å
578C83.3Confident70Confident32 Ų3272.3 Ų72.322%0.21640%0.395CS..EExtended strand (participates in β ladder)trans-139.4171176.265.90000111.3I401 V402 I580I401-C578 CarbonylContact O-C 3.58Å; I401-C578 VanDerWaalsContact O-C 3.31Å; V402-C578 CarbonylContact C-O 3.41Å; V402-C578 VanDerWaalsContact CA-O 3.3Å; V402-C578 WeakPolarHBondContact CA-O 3.48Å; V402-C578 PolarHBondContact O-N 3.39Å; C578-I580 HydrophobicContact CB-CD1 4.14Å; C578-I580 HydrophobicContact CB-CG1 4.23Å
579N85.3Confident72.7Confident122 Ų12267.4 Ų67.465%0.65236%0.361SS*.EExtended strand (participates in β ladder)trans-133.864.5174.1-168.616.6000109.2Y400 I401Y400-N579 WeakPolarHBondContact CB-OD1 3.45Å; Y400-N579 WeakPolarHBondContact CD1-OD1 3.43Å; Y400-N579 VanDerWaalsContact CG-OD1 3.27Å; I401-N579 WeakPolarHBondContact O-CA 3.36Å
580I88.4Confident75Confident19 Ų1963.5 Ų63.510%0.09733%0.327CS..EExtended strand (participates in β ladder)trans-94.6124.2-175.6-66.8167.4000109.2Y400 I401 I434 V436 Y474 F475 C578 C582Y400-I580 WeakPolarHBondContact CA-O 3.45Å; I401-I580 HydrophobicContact CB-CB 4.43Å; I401-I580 HydrophobicContact CD1-CB 4.49Å; I401-I580 HydrophobicContact CD1-CG2 4.38Å; I401-I580 PolarHBondContact N-O 3.15Å; I401-I580 PolarHBondContact O-N 3.15Å; I434-I580 HydrophobicContact CG2-CG2 4.01Å; V436-I580 HydrophobicContact CG2-CG2 4.02Å; Y474-I580 HydrophobicContact CE1-CD1 3.94Å; F475-I580 HydrophobicContact CE1-CD1 3.5Å; F475-I580 HydrophobicContact CZ-CD1 3.46Å; F475-I580 VanDerWaalsContact CZ-CD1 3.46Å; C578-I580 HydrophobicContact CB-CD1 4.14Å; C578-I580 HydrophobicContact CB-CG1 4.23Å; I580-C582 PolarHBondContact O-N 3.5Å
581K90.3Very high77.1Confident94 Ų9455.1 Ų55.141%0.40929%0.294SS..EExtended strand (participates in β ladder)trans-65.6130.4175.6-166.7179.1-170.2-174.90110.1L399 Y400 P435 Y583L399-K581 WeakPolarHBondContact O-CA 3.17Å; Y400-K581 HydrophobicContact CD1-CB 4.45Å; Y400-K581 HydrophobicContact CE1-CB 4.19Å; Y400-K581 HydrophobicContact CE1-CG 4.41Å; P435-K581 WeakPolarHBondContact CD-O 3.42Å; K581-Y583 VanDerWaalsContact CE-OH 3.24Å; K581-Y583 WeakPolarHBondContact CE-OH 3.33Å; K581-Y583 PolarHBondContact NZ-OH 3.19Å
582C91.3Very high79Confident0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans-133.8162.8172.366.40000110.3L399 I401 I432 N433 I434 I580L399-C582 VanDerWaalsContact CB-SG 3.55Å; L399-C582 PolarHBondContact N-O 2.97Å; L399-C582 PolarHBondContact O-N 2.75Å; L399-C582 VanDerWaalsContact O-O 3.1Å; L399-C582 PolarHBondContact O-SG 2.84Å; I401-C582 HydrophobicContact CD1-CB 4.32Å; I401-C582 HydrophobicContact CG1-CB 4.18Å; I432-C582 HydrophobicContact CD1-CB 4.36Å; I432-C582 HydrophobicContact CG1-CB 4.37Å; N433-C582 CarbonylContact O-C 3.45Å; N433-C582 WeakPolarHBondContact O-CA 3.48Å; I434-C582 HydrophobicContact CG1-CB 4.22Å; I580-C582 PolarHBondContact O-N 3.5Å
583Y90.9Very high80.6Confident51 Ų5150.7 Ų50.720%0.225%0.247CC..EExtended strand (participates in β ladder)trans-122.8140.9174-55.9-80.4000109.1S394 I432 N433 P435 W442 K581S394-Y583 WeakPolarHBondContact O-CD1 3.36Å; I432-Y583 CarbonylContact C-O 3.53Å; I432-Y583 WeakPolarHBondContact CA-O 3.41Å; N433-Y583 PolarHBondContact N-O 2.94Å; N433-Y583 PolarHBondContact O-N 2.97Å; N433-Y583 WeakPolarHBondContact OD1-CD2 3.28Å; P435-Y583 HydrophobicContact CG-CD2 3.89Å; P435-Y583 HydrophobicContact CG-CE2 3.56Å; W442-Y583 VanDerWaalsContact CH2-CB 3.48Å; W442-Y583 WeakPolarHBondContact CZ3-O 3.43Å; K581-Y583 VanDerWaalsContact CE-OH 3.24Å; K581-Y583 WeakPolarHBondContact CE-OH 3.33Å; K581-Y583 PolarHBondContact NZ-OH 3.19Å
584V89.1Confident81.6Confident4 Ų444.3 Ų44.32%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-126134.8-178.9173.40000110S394 L399 F422 I430 Y431 I432 M457S394-V584 WeakPolarHBondContact CA-O 3.47Å; S394-V584 WeakPolarHBondContact CB-O 3.33Å; L399-V584 HydrophobicContact CD1-CB 3.34Å; L399-V584 HydrophobicContact CD1-CG1 4.41Å; L399-V584 HydrophobicContact CD1-CG2 3.33Å; F422-V584 HydrophobicContact CE2-CG1 4.14Å; F422-V584 HydrophobicContact CZ-CG1 4.14Å; I430-V584 HydrophobicContact CB-CG1 3.72Å; I430-V584 HydrophobicContact CD1-CB 4.33Å; I430-V584 HydrophobicContact CD1-CG1 3.45Å; I430-V584 VanDerWaalsContact CD1-CG1 3.45Å; I430-V584 HydrophobicContact CD1-CG2 3.88Å; I430-V584 HydrophobicContact CG1-CG1 4.17Å; I430-V584 HydrophobicContact CG2-CG1 3.87Å; Y431-V584 CarbonylContact O-C 3.59Å; Y431-V584 VanDerWaalsContact O-CA 3.31Å; Y431-V584 WeakPolarHBondContact O-CA 3.24Å; I432-V584 HydrophobicContact CG1-CG2 4.27Å; M457-V584 HydrophobicContact CE-CG2 3.87Å
585D87.9Confident82.7Confident27 Ų2739.5 Ų39.514%0.14419%0.191CC..EExtended strand (participates in β ladder)trans-118.4120.6172174.841.4000109.6R246 Y431 W442 Y588R246-D585 IonicContact CZ-OD1 2.62Å; R246-D585 IonicContact NE-OD1 2.89Å; R246-D585 IonicContact NH2-OD1 2.77Å; R246-D585 PolarHBondContact NH2-OD1 2.81Å; Y431-D585 PolarHBondContact N-O 2.92Å; Y431-D585 PolarHBondContact O-N 3.37Å; W442-D585 HydrophobicContact CE3-CB 4.24Å; W442-D585 HydrophobicContact CZ3-CB 3.87Å; D585-Y588 VanDerWaalsContact O-CE2 3.32Å; D585-Y588 WeakPolarHBondContact O-CE2 3.37Å; D585-Y588 PolarHBondContact OD1-OH 2.85Å; D585-Y588 VanDerWaalsContact OD1-OH 3.12Å; D585-Y588 PolarHBondContact OD2-OH 3.5Å
586G86.9Confident83.1Confident7 Ų737.2 Ų37.27%0.07218%0.18CC..EExtended strand (participates in β ladder)trans147.6-163.8-174.700000111.4F422F422-G586 WeakPolarHBondContact CE2-O 3.28Å
587P88.6Confident83.2Confident35 Ų3537.1 Ų37.123%0.22719%0.193CC..EExtended strand (participates in β ladder)cis-77.4152.12.431.7-34.9000113.6F422 Q423 F424 D428 I430F422-P587 HydrophobicContact CZ-CB 4.2Å; F422-P587 HydrophobicContact CZ-CG 4.34Å; Q423-P587 VanDerWaalsContact O-CG 3.27Å; Q423-P587 WeakPolarHBondContact O-CG 3.44Å; F424-P587 HydrophobicContact CB-CB 3.68Å; F424-P587 HydrophobicContact CB-CG 3.75Å; D428-P587 HydrophobicContact CB-CB 4.06Å; I430-P587 HydrophobicContact CG2-CB 4.41Å
588Y86.3Confident83.5Confident4 Ų429.9 Ų29.92%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-111.9128.2176.4-66.2-67.8000110.7R245 R246 D428 Y429 Y431 D585R245-Y588 HydrophobicContact CB-CD1 3.65Å; R245-Y588 HydrophobicContact CB-CE1 3.38Å; R245-Y588 HydrophobicContact CG-CE1 4.49Å; R246-Y588 HydrophobicContact CG-CE1 3.78Å; D428-Y588 WeakPolarHBondContact CA-O 3.41Å; Y429-Y588 WeakPolarHBondContact CD1-O 3.44Å; Y429-Y588 HydrophobicContact CD2-CD2 4.42Å; Y429-Y588 VanDerWaalsContact CE1-CB 3.41Å; Y429-Y588 HydrophobicContact CE1-CG 4.49Å; Y429-Y588 AromaticContact CE2-CD2 3.97Å; Y429-Y588 HydrophobicContact CE2-CD2 3.97Å; Y429-Y588 HydrophobicContact CE2-CG 4.19Å; Y429-Y588 PolarHBondContact N-O 3.47Å; Y429-Y588 VanDerWaalsContact N-O 3.08Å; Y429-Y588 PolarHBondContact O-N 3.5Å; Y431-Y588 AromaticContact CD2-CD2 3.97Å; Y431-Y588 HydrophobicContact CD2-CD2 3.97Å; Y431-Y588 AromaticContact CD2-CE2 3.66Å; Y431-Y588 HydrophobicContact CD2-CE2 3.66Å; Y431-Y588 HydrophobicContact CE2-CD2 4.38Å; Y431-Y588 HydrophobicContact CE2-CE2 4.25Å; D585-Y588 VanDerWaalsContact O-CE2 3.32Å; D585-Y588 WeakPolarHBondContact O-CE2 3.37Å; D585-Y588 PolarHBondContact OD1-OH 2.85Å; D585-Y588 VanDerWaalsContact OD1-OH 3.12Å; D585-Y588 PolarHBondContact OD2-OH 3.5Å
589G79.3Confident83.8Confident3 Ų331.1 Ų31.13%0.03116%0.164CC..  trans-79.2144.6-17400000114T249 R252 D428 R593T249-G589 VanDerWaalsContact CG2-N 3.32Å; T249-G589 PolarHBondContact OG1-N 3.34Å; R252-G589 PolarHBondContact NH1-O 3.24Å; R252-G589 VanDerWaalsContact NH1-O 3.09Å; D428-G589 WeakPolarHBondContact OD1-CA 3.42Å; G589-R593 VanDerWaalsContact CA-NH2 3.27Å
590T76.2Confident84.1Confident9 Ų925.3 Ų25.36%0.05513%0.133CC..  trans-117.3161-177.259.10000111.2G427 Y429 T592 R593 F783G427-T590 WeakPolarHBondContact O-CG2 3.18Å; G427-T590 PolarHBondContact O-OG1 3.36Å; Y429-T590 HydrophobicContact CD1-CG2 3.61Å; Y429-T590 HydrophobicContact CE1-CG2 4.11Å; T590-T592 PolarHBondContact O-N 3.35Å; T590-T592 PolarHBondContact OG1-OG1 3.5Å; T590-R593 WeakPolarHBondContact O-CG 3.47Å; T590-R593 PolarHBondContact O-N 2.89Å; T590-F783 HydrophobicContact CG2-CE1 3.9Å; T590-F783 HydrophobicContact CG2-CZ 3.67Å
591P69.3Low84.3Confident26 Ų2624.4 Ų24.417%0.16913%0.128CC..G310 helixtrans-64.6-23.1-179.7-19.734000112.6D263 R593 Q594D263-P591 HydrophobicContact CB-CB 4.27Å; D263-P591 HydrophobicContact CB-CG 3.66Å; P591-R593 PolarHBondContact O-N 2.91Å; P591-Q594 WeakPolarHBondContact O-CB 3.48Å; P591-Q594 WeakPolarHBondContact O-CG 3.3Å; P591-Q594 PolarHBondContact O-N 2.94Å
592T72.1Confident84.6Confident0 Ų020 Ų200%011%0.109CC..G310 helixtrans-71.5-7.3-17658.70000113.5T590 Q594 I595 F613 I616 F756 E781T590-T592 PolarHBondContact O-N 3.35Å; T590-T592 PolarHBondContact OG1-OG1 3.5Å; T592-Q594 PolarHBondContact O-N 3.36Å; T592-Q594 VanDerWaalsContact O-N 3.08Å; T592-I595 HydrophobicContact CG2-CD1 3.18Å; T592-I595 HydrophobicContact CG2-CG1 3.9Å; T592-I595 WeakPolarHBondContact O-CB 3.25Å; T592-I595 VanDerWaalsContact O-CG1 3.25Å; T592-I595 WeakPolarHBondContact O-CG1 3.47Å; T592-I595 PolarHBondContact O-N 2.9Å; T592-F613 HydrophobicContact CG2-CE1 4.17Å; T592-I616 HydrophobicContact CG2-CD1 3.21Å; T592-I616 HydrophobicContact CG2-CG1 4.45Å; T592-F756 HydrophobicContact CG2-CD1 4.21Å; T592-E781 WeakPolarHBondContact CB-OE1 3.47Å; T592-E781 PolarHBondContact OG1-OE1 2.94Å; T592-E781 PolarHBondContact OG1-OE2 3.27Å
593R74.3Confident84.7Confident61 Ų6120 Ų2023%0.2311%0.109CC..G310 helixtrans-53.6-24.4160.4-68.5176.9175.3-170.4-3.6113.8D428 G589 T590 P591 I595D428-R593 IonicContact OD1-CZ 3.78Å; D428-R593 IonicContact OD1-NE 2.66Å; D428-R593 PolarHBondContact OD1-NE 3.27Å; D428-R593 IonicContact OD1-NH2 3.97Å; D428-R593 PolarHBondContact OD1-NH2 3.14Å; D428-R593 IonicContact OD2-CZ 3.56Å; D428-R593 IonicContact OD2-NE 3.01Å; D428-R593 IonicContact OD2-NH2 3.93Å; D428-R593 PolarHBondContact OD2-NH2 3.43Å; G589-R593 VanDerWaalsContact CA-NH2 3.27Å; T590-R593 WeakPolarHBondContact O-CG 3.47Å; T590-R593 PolarHBondContact O-N 2.89Å; P591-R593 PolarHBondContact O-N 2.91Å; R593-I595 PolarHBondContact O-N 2.76Å
594Q75.4Confident84.9Confident53 Ų5317.5 Ų17.525%0.24810%0.099CC..G310 helixtrans-73.5-7.8178-65.4-177.619.900113.7P591 T592 F596 A597 S598P591-Q594 WeakPolarHBondContact O-CB 3.48Å; P591-Q594 WeakPolarHBondContact O-CG 3.3Å; P591-Q594 PolarHBondContact O-N 2.94Å; T592-Q594 PolarHBondContact O-N 3.36Å; T592-Q594 VanDerWaalsContact O-N 3.08Å; Q594-F596 VanDerWaalsContact C-N 3.3Å; Q594-F596 PolarHBondContact O-N 3.05Å; Q594-A597 PolarHBondContact O-N 2.78Å; Q594-A597 VanDerWaalsContact O-N 3.11Å; Q594-S598 PolarHBondContact O-N 2.89Å; Q594-S598 PolarHBondContact O-OG 2.78Å
595I85.8Confident85.1Confident0 Ų017.3 Ų17.30%010%0.098CC..G310 helixtrans-53.4-48.8176.7-77.3175000111.1T592 R593 A597 S598 A601 L603 F613 I616 I620 L649 F756T592-I595 HydrophobicContact CG2-CD1 3.18Å; T592-I595 HydrophobicContact CG2-CG1 3.9Å; T592-I595 WeakPolarHBondContact O-CB 3.25Å; T592-I595 VanDerWaalsContact O-CG1 3.25Å; T592-I595 WeakPolarHBondContact O-CG1 3.47Å; T592-I595 PolarHBondContact O-N 2.9Å; R593-I595 PolarHBondContact O-N 2.76Å; I595-A597 PolarHBondContact O-N 2.83Å; I595-A597 VanDerWaalsContact O-N 3.12Å; I595-S598 WeakPolarHBondContact O-CB 3.36Å; I595-S598 PolarHBondContact O-N 3.35Å; I595-S598 PolarHBondContact O-OG 3.47Å; I595-A601 HydrophobicContact CG2-CB 4.22Å; I595-L603 HydrophobicContact CD1-CD2 3.4Å; I595-L603 VanDerWaalsContact CD1-CD2 3.4Å; I595-L603 HydrophobicContact CG1-CD2 4.05Å; I595-F613 HydrophobicContact CD1-CE1 4.44Å; I595-I616 HydrophobicContact CD1-CD1 3.8Å; I595-I616 HydrophobicContact CD1-CG1 4.41Å; I595-I616 HydrophobicContact CD1-CG2 3.69Å; I595-I616 HydrophobicContact CG2-CG2 4.18Å; I595-I620 HydrophobicContact CG2-CD1 3.92Å; I595-L649 HydrophobicContact CG2-CD1 3.92Å; I595-L649 HydrophobicContact CG2-CD2 4.44Å; I595-L649 WeakPolarHBondContact O-CD2 3.41Å; I595-F756 HydrophobicContact CB-CE2 4.32Å; I595-F756 HydrophobicContact CB-CZ 4.28Å; I595-F756 HydrophobicContact CD1-CD1 4.34Å; I595-F756 HydrophobicContact CD1-CD2 4.18Å; I595-F756 HydrophobicContact CD1-CE2 4.5Å; I595-F756 HydrophobicContact CD1-CG 4.1Å; I595-F756 HydrophobicContact CG1-CD1 3.81Å; I595-F756 HydrophobicContact CG1-CD2 3.56Å; I595-F756 HydrophobicContact CG1-CE1 3.69Å; I595-F756 HydrophobicContact CG1-CE2 3.42Å; I595-F756 VanDerWaalsContact CG1-CE2 3.42Å; I595-F756 HydrophobicContact CG1-CG 3.75Å; I595-F756 HydrophobicContact CG1-CZ 3.49Å; I595-F756 VanDerWaalsContact CG1-CZ 3.49Å
596F84.4Confident85.2Confident18 Ų1817 Ų178%0.07910%0.099CC..G310 helixtrans-62.9-24.2-176.8-59.7-78.7000113.1P426 Q594 S598 I620 D646 M647 R648 L649P426-F596 HydrophobicContact CB-CE2 4.1Å; P426-F596 HydrophobicContact CB-CZ 4.09Å; P426-F596 HydrophobicContact CG-CE2 3.85Å; P426-F596 HydrophobicContact CG-CZ 3.75Å; Q594-F596 VanDerWaalsContact C-N 3.3Å; Q594-F596 PolarHBondContact O-N 3.05Å; F596-S598 VanDerWaalsContact C-N 3.34Å; F596-I620 HydrophobicContact CD1-CG1 4.33Å; F596-I620 HydrophobicContact CE1-CG1 3.6Å; F596-I620 HydrophobicContact CZ-CG1 4.18Å; F596-D646 VanDerWaalsContact O-O 3.1Å; F596-M647 HydrophobicContact CD1-CG 4.21Å; F596-M647 HydrophobicContact CD1-SD 4.17Å; F596-M647 CarbonylContact O-C 3.41Å; F596-M647 WeakPolarHBondContact O-CA 3.41Å; F596-R648 PolarHBondContact O-N 3.45Å; F596-L649 HydrophobicContact CD1-CD1 4.35Å
597A82.1Confident85.1Confident61 Ų6117.5 Ų17.550%0.50410%0.104SC..G310 helixtrans-84-7.517600000113.8Q594 I595Q594-A597 PolarHBondContact O-N 2.78Å; Q594-A597 VanDerWaalsContact O-N 3.11Å; I595-A597 PolarHBondContact O-N 2.83Å; I595-A597 VanDerWaalsContact O-N 3.12Å
598S86.3Confident84.8Confident1 Ų118 Ų181%0.00710%0.104CC..  trans-84151.1-179.1-47.70000110.4Q594 I595 F596 R648 L649 H754Q594-S598 PolarHBondContact O-N 2.89Å; Q594-S598 PolarHBondContact O-OG 2.78Å; I595-S598 WeakPolarHBondContact O-CB 3.36Å; I595-S598 PolarHBondContact O-N 3.35Å; I595-S598 PolarHBondContact O-OG 3.47Å; F596-S598 VanDerWaalsContact C-N 3.34Å; S598-R648 CarbonylContact O-C 3.44Å; S598-L649 VanDerWaalsContact O-CA 3.27Å; S598-L649 WeakPolarHBondContact O-CA 3.32Å; S598-L649 WeakPolarHBondContact O-CD2 3.46Å; S598-L649 PolarHBondContact O-N 2.6Å; S598-L649 VanDerWaalsContact O-N 3.09Å; S598-H754 WeakPolarHBondContact CB-ND1 3.33Å; S598-H754 PolarHBondContact OG-ND1 2.92Å
599E88.9Confident84.7Confident59 Ų5918.1 Ų18.128%0.27611%0.107SC..SBendtrans-86-43.1174.9-66.4172.7167.600110.8R650 K651 G751 K752E599-R650 PolarHBondContact O-N 3.06Å; E599-K651 PolarHBondContact O-N 2.83Å; E599-G751 VanDerWaalsContact OE2-CA 3.28Å; E599-G751 WeakPolarHBondContact OE2-CA 3.42Å; E599-K752 PolarHBondContact OE2-N 3.2Å
600H92.1Very high85.1Confident0 Ų018 Ų180%011%0.106CC..EExtended strand (participates in β ladder)trans-127.9112.7176.3-173.8178.7000108.7D653 E748 K750 V753 H754H600-D653 IonicContact CD2-OD2 2.99Å; H600-D653 IonicContact CE1-OD2 3.3Å; H600-D653 IonicContact NE2-OD2 2.7Å; H600-D653 PolarHBondContact NE2-OD2 2.82Å; H600-E748 IonicContact CE1-OE2 3.83Å; H600-K750 HydrophobicContact CB-CB 4.29Å; H600-V753 HydrophobicContact CB-CG2 4.44Å; H600-H754 PolarHBondContact O-N 3.5Å
601A93.6Very high85.7Confident0 Ų018 Ų180%011%0.106CC..EExtended strand (participates in β ladder)trans-106.8126.4-178.800000111.3I595 L603 L649 K651 V652 D653 F756I595-A601 HydrophobicContact CG2-CB 4.22Å; A601-L603 HydrophobicContact CB-CD2 4.32Å; A601-L649 HydrophobicContact CB-CD2 3.5Å; A601-L649 VanDerWaalsContact CB-CD2 3.5Å; A601-K651 PolarHBondContact N-O 3.29Å; A601-K651 VanDerWaalsContact N-O 3.11Å; A601-V652 CarbonylContact O-C 3.59Å; A601-V652 WeakPolarHBondContact O-CA 3.16Å; A601-D653 PolarHBondContact O-N 3.18Å; A601-F756 HydrophobicContact CB-CE2 4.32Å
602V95.1Very high86.7Confident0 Ų016.8 Ų16.80%010%0.098CC..EExtended strand (participates in β ladder)trans-109.6111.4175.7-175.30000108.1I604 D653 I655 L745 V753 H754 V755 F756V602-I604 HydrophobicContact CG1-CD1 4.17Å; V602-I604 HydrophobicContact CG1-CG1 3.93Å; V602-D653 CarbonylContact C-O 3.58Å; V602-D653 WeakPolarHBondContact CA-O 3.5Å; V602-D653 HydrophobicContact CG1-CB 4.35Å; V602-D653 HydrophobicContact CG2-CB 4.34Å; V602-I655 HydrophobicContact CG1-CD1 4.09Å; V602-L745 HydrophobicContact CG1-CD1 4.06Å; V602-L745 HydrophobicContact CG2-CD1 3.89Å; V602-L745 HydrophobicContact CG2-CD2 4.06Å; V602-V753 HydrophobicContact CG2-CG1 3.67Å; V602-H754 PolarHBondContact N-O 3.48Å; V602-V755 HydrophobicContact CB-CG2 4.14Å; V602-V755 HydrophobicContact CG2-CG2 4.46Å; V602-V755 CarbonylContact O-C 3.51Å; V602-V755 WeakPolarHBondContact O-CA 3.32Å; V602-F756 PolarHBondContact O-N 3.41Å
603L95Very high87.6Confident0 Ų016.8 Ų16.80%010%0.098CC..EExtended strand (participates in β ladder)trans-102.3105.6-175-51.3-173.7000109.3I595 A601 F613 I616 L617 V652 D653 F654 I655 F756I595-L603 HydrophobicContact CD1-CD2 3.4Å; I595-L603 VanDerWaalsContact CD1-CD2 3.4Å; I595-L603 HydrophobicContact CG1-CD2 4.05Å; A601-L603 HydrophobicContact CB-CD2 4.32Å; L603-F613 HydrophobicContact CB-CD1 3.93Å; L603-F613 HydrophobicContact CB-CE1 4Å; L603-F613 HydrophobicContact CB-CG 4.21Å; L603-F613 HydrophobicContact CB-CZ 4.33Å; L603-F613 HydrophobicContact CD1-CD1 4.02Å; L603-F613 HydrophobicContact CD2-CD1 4.07Å; L603-F613 HydrophobicContact CD2-CE1 3.87Å; L603-F613 HydrophobicContact CG-CD1 4.22Å; L603-F613 HydrophobicContact CG-CE1 4.37Å; L603-I616 HydrophobicContact CD1-CG2 4.33Å; L603-L617 HydrophobicContact CD1-CD2 3.94Å; L603-L617 HydrophobicContact CD1-CG 4.38Å; L603-V652 HydrophobicContact CD1-CG1 3.86Å; L603-V652 HydrophobicContact CG-CG1 4.09Å; L603-D653 PolarHBondContact N-O 3.24Å; L603-F654 HydrophobicContact CB-CD2 3.98Å; L603-F654 CarbonylContact O-C 3.17Å; L603-I655 PolarHBondContact O-N 3.44Å; L603-F756 HydrophobicContact CD2-CB 4.02Å; L603-F756 HydrophobicContact CD2-CD2 3.91Å; L603-F756 HydrophobicContact CD2-CG 4.24Å
604I95.1Very high88.4Confident0 Ų014 Ų140%09%0.088CC..EExtended strand (participates in β ladder)trans-109.6106.4-176.8-51.7176.8000109.9V602 F613 I655 I657 W738 F742 V755 F756 Y757 C758 I767V602-I604 HydrophobicContact CG1-CD1 4.17Å; V602-I604 HydrophobicContact CG1-CG1 3.93Å; I604-F613 WeakPolarHBondContact O-CE2 3.34Å; I604-I655 CarbonylContact C-O 3.48Å; I604-I655 WeakPolarHBondContact CA-O 3.08Å; I604-I655 HydrophobicContact CD1-CD1 4.45Å; I604-I655 HydrophobicContact CG1-CB 4.19Å; I604-I655 HydrophobicContact CG1-CD1 4.18Å; I604-I655 HydrophobicContact CG2-CB 4.43Å; I604-I655 HydrophobicContact CG2-CG2 4.42Å; I604-I657 HydrophobicContact CG2-CD1 4.23Å; I604-W738 HydrophobicContact CD1-CH2 4.02Å; I604-W738 HydrophobicContact CD1-CZ3 3.76Å; I604-W738 HydrophobicContact CG2-CH2 3.73Å; I604-W738 HydrophobicContact CG2-CZ3 4.48Å; I604-F742 HydrophobicContact CD1-CE2 4.45Å; I604-V755 HydrophobicContact CD1-CG1 3.58Å; I604-V755 HydrophobicContact CG1-CG1 4.24Å; I604-F756 PolarHBondContact N-O 2.99Å; I604-Y757 HydrophobicContact CB-CD2 3.9Å; I604-Y757 HydrophobicContact CG2-CD2 3.72Å; I604-Y757 HydrophobicContact CG2-CE2 4.05Å; I604-Y757 WeakPolarHBondContact O-CA 3.47Å; I604-Y757 WeakPolarHBondContact O-CD2 3.31Å; I604-C758 PolarHBondContact O-N 3.03Å; I604-I767 HydrophobicContact CD1-CD1 4.04Å; I604-I767 HydrophobicContact CD1-CG2 3.93Å; I604-I767 HydrophobicContact CG2-CD1 3.84Å
605G92.6Very high89.1Confident0 Ų011.5 Ų11.50%08%0.076CC..EExtended strand (participates in β ladder)trans-106140.3174.600000112.3I655 I657 C758G605-I655 PolarHBondContact N-O 3.29Å; G605-I657 PolarHBondContact O-N 3.35Å; G605-C758 WeakPolarHBondContact CA-O 2.97Å
606A89.5Confident89.4Confident20 Ų2011.5 Ų11.517%0.1658%0.076CC..EExtended strand (participates in β ladder)trans-123.2123.8170.300000111.4G609 I657 C758 L763A606-G609 PolarHBondContact O-N 3.48Å; A606-I657 CarbonylContact C-O 3.6Å; A606-I657 VanDerWaalsContact CA-O 3.3Å; A606-I657 WeakPolarHBondContact CA-O 3.46Å; A606-I657 HydrophobicContact CB-CB 4.48Å; A606-C758 PolarHBondContact N-O 3.47Å; A606-L763 HydrophobicContact CB-CD2 4.22Å
607G85.8Confident89.7Confident17 Ų1710.7 Ų10.718%0.1757%0.072CC..G310 helixtrans62-134.6-176.400000112.5G609 I610 W656 I657 N658G607-G609 PolarHBondContact O-N 3.28Å; G607-G609 VanDerWaalsContact O-N 3.15Å; G607-I610 PolarHBondContact O-N 2.98Å; G607-W656 PolarHBondContact O-NE1 2.98Å; G607-I657 PolarHBondContact N-O 3.08Å; G607-N658 WeakPolarHBondContact CA-OD1 3.4Å; G607-N658 PolarHBondContact N-OD1 2.95Å
608I82.4Confident90.2Very high46 Ų469.1 Ų9.124%0.2366%0.055CC..G310 helixtrans-67-9.7176.2-161.764.2000113.4V411 R462 I610 T611 W666V411-I608 HydrophobicContact CG2-CD1 4.29Å; R462-I608 HydrophobicContact CB-CB 4.35Å; R462-I608 HydrophobicContact CB-CD1 4.05Å; R462-I608 HydrophobicContact CB-CG1 3.87Å; I608-I610 PolarHBondContact O-N 3.32Å; I608-T611 HydrophobicContact CD1-CG2 3.81Å; I608-T611 HydrophobicContact CG1-CG2 4.01Å; I608-T611 WeakPolarHBondContact O-CG2 3.4Å; I608-T611 PolarHBondContact O-N 3.16Å; I608-T611 VanDerWaalsContact O-N 3.16Å; I608-T611 PolarHBondContact O-OG1 3Å; I608-W666 HydrophobicContact CD1-CH2 4.43Å; I608-W666 HydrophobicContact CD1-CZ2 3.85Å
609G83.9Confident90.4Very high7 Ų79 Ų97%0.0725%0.054CC..G310 helixtrans-60.8-6.4173.800000113.9A606 G607 T611 P612 C758A606-G609 PolarHBondContact O-N 3.48Å; G607-G609 PolarHBondContact O-N 3.28Å; G607-G609 VanDerWaalsContact O-N 3.15Å; G609-T611 VanDerWaalsContact C-N 3.3Å; G609-T611 PolarHBondContact O-N 3.26Å; G609-P612 WeakPolarHBondContact O-CD 3.42Å; G609-P612 WeakPolarHBondContact O-CG 3.23Å; G609-C758 WeakPolarHBondContact CA-SG 3.32Å; G609-C758 WeakPolarHBondContact O-CB 3.2Å; G609-C758 PolarHBondContact O-SG 3.39Å
610I88.2Confident90.4Very high0 Ų06.3 Ų6.30%04%0.041CC..G310 helixtrans-72-20174.4-148.864.4000114.3G607 I608 F613 A614 F654 W656 W666 F667G607-I610 PolarHBondContact O-N 2.98Å; I608-I610 PolarHBondContact O-N 3.32Å; I610-F613 HydrophobicContact CD1-CD2 4.16Å; I610-F613 CarbonylContact O-C 3.59Å; I610-F613 WeakPolarHBondContact O-CA 3.34Å; I610-F613 WeakPolarHBondContact O-CB 3.38Å; I610-F613 PolarHBondContact O-N 2.9Å; I610-A614 PolarHBondContact O-N 2.88Å; I610-F654 HydrophobicContact CD1-CE1 4.39Å; I610-F654 HydrophobicContact CD1-CE2 3.29Å; I610-F654 HydrophobicContact CD1-CZ 3.21Å; I610-F654 HydrophobicContact CG1-CE2 4.03Å; I610-F654 HydrophobicContact CG1-CZ 3.65Å; I610-W656 HydrophobicContact CB-CZ2 4.29Å; I610-W656 HydrophobicContact CD1-CB 3.93Å; I610-W656 HydrophobicContact CD1-CD2 4Å; I610-W656 HydrophobicContact CD1-CG 3.49Å; I610-W656 VanDerWaalsContact CD1-CG 3.49Å; I610-W656 HydrophobicContact CG1-CD2 3.89Å; I610-W656 HydrophobicContact CG1-CG 3.95Å; I610-W656 HydrophobicContact CG1-CZ2 4.37Å; I610-W656 HydrophobicContact CG2-CZ2 3.89Å; I610-W666 HydrophobicContact CG2-CH2 3.46Å; I610-W666 VanDerWaalsContact CG2-CH2 3.46Å; I610-W666 HydrophobicContact CG2-CZ2 3.23Å; I610-F667 HydrophobicContact CG1-CD1 4.02Å; I610-F667 HydrophobicContact CG1-CE1 3.77Å; I610-F667 HydrophobicContact CG1-CZ 4.18Å; I610-F667 HydrophobicContact CG2-CD2 4.46Å; I610-F667 HydrophobicContact CG2-CG 4.39Å
611T88.7Confident90.2Very high10 Ų106.5 Ų6.56%0.0614%0.042CC..Hα-helixtrans-52.9-43.3-174.845.40000116.2H460 I608 G609 F613 A614 W666H460-T611 HydrophobicContact CB-CG2 3.94Å; I608-T611 HydrophobicContact CD1-CG2 3.81Å; I608-T611 HydrophobicContact CG1-CG2 4.01Å; I608-T611 WeakPolarHBondContact O-CG2 3.4Å; I608-T611 PolarHBondContact O-N 3.16Å; I608-T611 VanDerWaalsContact O-N 3.16Å; I608-T611 PolarHBondContact O-OG1 3Å; G609-T611 VanDerWaalsContact C-N 3.3Å; G609-T611 PolarHBondContact O-N 3.26Å; T611-F613 VanDerWaalsContact C-N 3.33Å; T611-A614 VanDerWaalsContact O-CB 3.25Å; T611-A614 WeakPolarHBondContact O-CB 3.45Å; T611-A614 PolarHBondContact O-N 3.38Å; T611-W666 HydrophobicContact CG2-CH2 3.79Å; T611-W666 HydrophobicContact CG2-CZ2 4.36Å
612P88.4Confident89.9Confident0 Ų011.8 Ų11.80%06%0.063CC..Hα-helixtrans-60.5-43.3170.722-34.3000112.2T446 G609 A614 S615 I616 C758 E781 F783T446-P612 HydrophobicContact CG2-CB 3.91Å; G609-P612 WeakPolarHBondContact O-CD 3.42Å; G609-P612 WeakPolarHBondContact O-CG 3.23Å; P612-A614 PolarHBondContact O-N 3.47Å; P612-S615 PolarHBondContact O-N 2.81Å; P612-I616 HydrophobicContact CB-CD1 4.35Å; P612-I616 VanDerWaalsContact O-CD1 3.24Å; P612-I616 WeakPolarHBondContact O-CD1 3.34Å; P612-I616 WeakPolarHBondContact O-CG1 3.17Å; P612-I616 PolarHBondContact O-N 3.41Å; P612-C758 HydrophobicContact CG-CB 4.24Å; P612-E781 WeakPolarHBondContact CB-OE2 3.48Å; P612-E781 WeakPolarHBondContact CG-OE2 3.33Å; P612-F783 HydrophobicContact CB-CE2 3.96Å; P612-F783 HydrophobicContact CB-CZ 4.48Å; P612-F783 HydrophobicContact CG-CD2 4.07Å; P612-F783 HydrophobicContact CG-CE2 3.81Å
613F91.3Very high89.4Confident0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-66.9-25.4-177.1-58.1-49.4000112.6T592 I595 L603 I604 I610 T611 S615 I616 L617 F654 F756 C758T592-F613 HydrophobicContact CG2-CE1 4.17Å; I595-F613 HydrophobicContact CD1-CE1 4.44Å; L603-F613 HydrophobicContact CB-CD1 3.93Å; L603-F613 HydrophobicContact CB-CE1 4Å; L603-F613 HydrophobicContact CB-CG 4.21Å; L603-F613 HydrophobicContact CB-CZ 4.33Å; L603-F613 HydrophobicContact CD1-CD1 4.02Å; L603-F613 HydrophobicContact CD2-CD1 4.07Å; L603-F613 HydrophobicContact CD2-CE1 3.87Å; L603-F613 HydrophobicContact CG-CD1 4.22Å; L603-F613 HydrophobicContact CG-CE1 4.37Å; I604-F613 WeakPolarHBondContact O-CE2 3.34Å; I610-F613 HydrophobicContact CD1-CD2 4.16Å; I610-F613 CarbonylContact O-C 3.59Å; I610-F613 WeakPolarHBondContact O-CA 3.34Å; I610-F613 WeakPolarHBondContact O-CB 3.38Å; I610-F613 PolarHBondContact O-N 2.9Å; T611-F613 VanDerWaalsContact C-N 3.33Å; F613-S615 PolarHBondContact O-N 3.22Å; F613-I616 HydrophobicContact CD1-CD1 3.91Å; F613-I616 HydrophobicContact CE1-CD1 4.48Å; F613-I616 PolarHBondContact O-N 3.22Å; F613-L617 VanDerWaalsContact O-CB 3.3Å; F613-L617 WeakPolarHBondContact O-CB 3.45Å; F613-L617 VanDerWaalsContact O-CG 3.23Å; F613-L617 WeakPolarHBondContact O-CG 3.46Å; F613-L617 PolarHBondContact O-N 3.12Å; F613-F654 HydrophobicContact CB-CE2 3.94Å; F613-F756 HydrophobicContact CE1-CB 3.93Å; F613-F756 HydrophobicContact CZ-CB 4.05Å; F613-C758 HydrophobicContact CE2-CB 3.86Å; F613-C758 HydrophobicContact CZ-CB 4.24Å
614A90.6Very high88.8Confident2 Ų216.5 Ų16.52%0.0178%0.081CC..Hα-helixtrans-51.3-55.7169.600000112.9S448 I610 T611 P612 I616 Q618 F667 L670S448-A614 CarbonylContact O-C 3.54Å; S448-A614 WeakPolarHBondContact O-CB 3.48Å; I610-A614 PolarHBondContact O-N 2.88Å; T611-A614 VanDerWaalsContact O-CB 3.25Å; T611-A614 WeakPolarHBondContact O-CB 3.45Å; T611-A614 PolarHBondContact O-N 3.38Å; P612-A614 PolarHBondContact O-N 3.47Å; A614-I616 VanDerWaalsContact C-N 3.32Å; A614-Q618 WeakPolarHBondContact O-CG 3.44Å; A614-Q618 PolarHBondContact O-N 3.32Å; A614-Q618 PolarHBondContact O-NE2 3.22Å; A614-F667 HydrophobicContact CB-CD2 4.34Å; A614-F667 HydrophobicContact CB-CE2 3.33Å; A614-F667 HydrophobicContact CB-CZ 3.94Å; A614-L670 HydrophobicContact CB-CD2 4.33Å
615S91.6Very high88Confident0 Ų022.8 Ų22.80%011%0.105CC..Hα-helixtrans-67.3-38.5-178.1178.80000111.2P426 I447 S448 S449 P612 F613 S619P426-S615 WeakPolarHBondContact CA-OG 3.37Å; I447-S615 VanDerWaalsContact O-CB 3.22Å; I447-S615 WeakPolarHBondContact O-CB 3.24Å; S448-S615 WeakPolarHBondContact O-CA 3.48Å; S448-S615 PolarHBondContact O-N 2.98Å; S449-S615 VanDerWaalsContact O-CB 3.28Å; S449-S615 WeakPolarHBondContact O-CB 3.3Å; S449-S615 PolarHBondContact O-OG 2.76Å; P612-S615 PolarHBondContact O-N 2.81Å; F613-S615 PolarHBondContact O-N 3.22Å; S615-S619 WeakPolarHBondContact O-CB 3.35Å; S615-S619 PolarHBondContact O-N 3.36Å; S615-S619 VanDerWaalsContact O-N 3.08Å
616I91.6Very high87.3Confident0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-67.3-49.1-179.1-67.4155.8000111.3P426 T592 I595 L603 P612 F613 A614 Q618 S619 I620P426-I616 HydrophobicContact CB-CG1 3.95Å; T592-I616 HydrophobicContact CG2-CD1 3.21Å; T592-I616 HydrophobicContact CG2-CG1 4.45Å; I595-I616 HydrophobicContact CD1-CD1 3.8Å; I595-I616 HydrophobicContact CD1-CG1 4.41Å; I595-I616 HydrophobicContact CD1-CG2 3.69Å; I595-I616 HydrophobicContact CG2-CG2 4.18Å; L603-I616 HydrophobicContact CD1-CG2 4.33Å; P612-I616 HydrophobicContact CB-CD1 4.35Å; P612-I616 VanDerWaalsContact O-CD1 3.24Å; P612-I616 WeakPolarHBondContact O-CD1 3.34Å; P612-I616 WeakPolarHBondContact O-CG1 3.17Å; P612-I616 PolarHBondContact O-N 3.41Å; F613-I616 HydrophobicContact CD1-CD1 3.91Å; F613-I616 HydrophobicContact CE1-CD1 4.48Å; F613-I616 PolarHBondContact O-N 3.22Å; A614-I616 VanDerWaalsContact C-N 3.32Å; I616-Q618 VanDerWaalsContact C-N 3.33Å; I616-Q618 PolarHBondContact O-N 3.15Å; I616-S619 PolarHBondContact O-N 3.03Å; I616-I620 HydrophobicContact CG2-CD1 3.53Å; I616-I620 HydrophobicContact CG2-CG1 4.12Å; I616-I620 WeakPolarHBondContact O-CB 3.29Å; I616-I620 VanDerWaalsContact O-CG1 3.25Å; I616-I620 WeakPolarHBondContact O-CG1 3.49Å; I616-I620 PolarHBondContact O-N 3.34Å
617L91.6Very high86.6Confident1 Ų130.8 Ų30.81%0.00514%0.136CC..Hα-helixtrans-61.1-42.9-179.7-73.7173.4000111.5L603 F613 S619 I620 M621 V652 F654 F667 L671 L674 L688L603-L617 HydrophobicContact CD1-CD2 3.94Å; L603-L617 HydrophobicContact CD1-CG 4.38Å; F613-L617 VanDerWaalsContact O-CB 3.3Å; F613-L617 WeakPolarHBondContact O-CB 3.45Å; F613-L617 VanDerWaalsContact O-CG 3.23Å; F613-L617 WeakPolarHBondContact O-CG 3.46Å; F613-L617 PolarHBondContact O-N 3.12Å; L617-S619 PolarHBondContact O-N 2.95Å; L617-I620 PolarHBondContact O-N 3.21Å; L617-M621 WeakPolarHBondContact O-CB 3.2Å; L617-M621 PolarHBondContact O-N 2.94Å; L617-V652 HydrophobicContact CD2-CG1 4.39Å; L617-F654 HydrophobicContact CD1-CD1 4.3Å; L617-F654 HydrophobicContact CD1-CD2 3.71Å; L617-F654 HydrophobicContact CD1-CE1 4.26Å; L617-F654 HydrophobicContact CD1-CE2 3.63Å; L617-F654 HydrophobicContact CD1-CG 4.01Å; L617-F654 HydrophobicContact CD1-CZ 3.89Å; L617-F654 HydrophobicContact CD2-CD2 4.45Å; L617-F654 HydrophobicContact CG-CD2 4.45Å; L617-F667 HydrophobicContact CD1-CZ 4.37Å; L617-L671 HydrophobicContact CD1-CD2 4.35Å; L617-L674 HydrophobicContact CB-CD1 3.74Å; L617-L674 HydrophobicContact CD1-CD1 4.24Å; L617-L688 HydrophobicContact CD2-CD1 3.62Å; L617-L688 HydrophobicContact CD2-CD2 4.13Å
618Q91Very high85.8Confident28 Ų2834.2 Ų34.213%0.13115%0.146CC..Hα-helixtrans-58.8-46.6174-75.8169.886.100112.1S448 A450 A614 I616 M621 Y622 L670S448-Q618 PolarHBondContact O-NE2 3.25Å; A450-Q618 HydrophobicContact CB-CB 3.5Å; A450-Q618 VanDerWaalsContact CB-CB 3.5Å; A614-Q618 WeakPolarHBondContact O-CG 3.44Å; A614-Q618 PolarHBondContact O-N 3.32Å; A614-Q618 PolarHBondContact O-NE2 3.22Å; I616-Q618 VanDerWaalsContact C-N 3.33Å; I616-Q618 PolarHBondContact O-N 3.15Å; Q618-M621 PolarHBondContact O-N 3.04Å; Q618-Y622 WeakPolarHBondContact O-CB 3.43Å; Q618-Y622 PolarHBondContact O-N 3.42Å; Q618-L670 HydrophobicContact CG-CD1 3.45Å; Q618-L670 VanDerWaalsContact CG-CD1 3.45Å; Q618-L670 HydrophobicContact CG-CD2 3.94Å; Q618-L670 HydrophobicContact CG-CG 4.27Å
619S90.9Very high85Confident0 Ų037.6 Ų37.60%016%0.16CC..Hα-helixtrans-68.6-39.1179.2-178.10000112.2P426 E452 S615 I616 L617 Y622 R623P426-S619 VanDerWaalsContact CG-CB 3.44Å; P426-S619 VanDerWaalsContact CG-OG 3.26Å; P426-S619 WeakPolarHBondContact CG-OG 3.43Å; E452-S619 PolarHBondContact OE1-OG 3.37Å; E452-S619 WeakPolarHBondContact OE2-CB 3.43Å; E452-S619 PolarHBondContact OE2-OG 3.12Å; S615-S619 WeakPolarHBondContact O-CB 3.35Å; S615-S619 PolarHBondContact O-N 3.36Å; S615-S619 VanDerWaalsContact O-N 3.08Å; I616-S619 PolarHBondContact O-N 3.03Å; L617-S619 PolarHBondContact O-N 2.95Å; S619-Y622 PolarHBondContact O-N 3.23Å; S619-R623 WeakPolarHBondContact O-CB 3.49Å; S619-R623 VanDerWaalsContact O-CG 3.24Å; S619-R623 WeakPolarHBondContact O-CG 3.49Å; S619-R623 PolarHBondContact O-N 3.37Å; S619-R623 PolarHBondContact OG-NE 3.37Å
620I89.6Confident83.7Confident1 Ų141.7 Ų41.71%0.00518%0.184CC..Hα-helixtrans-58.3-50174-76.2173.8000110I595 F596 I616 L617 R623 Y624 L649 V652 F687I595-I620 HydrophobicContact CG2-CD1 3.92Å; F596-I620 HydrophobicContact CD1-CG1 4.33Å; F596-I620 HydrophobicContact CE1-CG1 3.6Å; F596-I620 HydrophobicContact CZ-CG1 4.18Å; I616-I620 HydrophobicContact CG2-CD1 3.53Å; I616-I620 HydrophobicContact CG2-CG1 4.12Å; I616-I620 WeakPolarHBondContact O-CB 3.29Å; I616-I620 VanDerWaalsContact O-CG1 3.25Å; I616-I620 WeakPolarHBondContact O-CG1 3.49Å; I616-I620 PolarHBondContact O-N 3.34Å; L617-I620 PolarHBondContact O-N 3.21Å; I620-R623 PolarHBondContact O-N 2.94Å; I620-Y624 VanDerWaalsContact O-CB 3.26Å; I620-Y624 WeakPolarHBondContact O-CB 3.31Å; I620-Y624 PolarHBondContact O-N 3.08Å; I620-L649 HydrophobicContact CD1-CD1 3.93Å; I620-L649 HydrophobicContact CG1-CD1 4.02Å; I620-V652 HydrophobicContact CD1-CG2 4.22Å; I620-V652 HydrophobicContact CG2-CG2 4.3Å; I620-F687 HydrophobicContact CG2-CE1 3.46Å; I620-F687 VanDerWaalsContact CG2-CE1 3.46Å; I620-F687 HydrophobicContact CG2-CZ 3.87Å
621M86.9Confident82Confident4 Ų449.7 Ų49.72%0.0222%0.215CC..Hα-helixtrans-67.2-40.8-177.7-166.857.271.500111.9L617 Q618 R623 Y624 R625 L674 E677 Q678 L688L617-M621 WeakPolarHBondContact O-CB 3.2Å; L617-M621 PolarHBondContact O-N 2.94Å; Q618-M621 PolarHBondContact O-N 3.04Å; M621-R623 PolarHBondContact O-N 2.91Å; M621-Y624 PolarHBondContact O-N 3.11Å; M621-Y624 HydrophobicContact SD-CD1 4.12Å; M621-R625 WeakPolarHBondContact O-CB 3.49Å; M621-R625 PolarHBondContact O-N 3.33Å; M621-L674 HydrophobicContact CB-CD2 3.62Å; M621-L674 HydrophobicContact CG-CD2 3.89Å; M621-E677 HydrophobicContact CG-CB 4.27Å; M621-E677 WeakPolarHBondContact CG-OE2 3.28Å; M621-Q678 HydrophobicContact CE-CB 4.25Å; M621-L688 HydrophobicContact CE-CB 4.2Å; M621-L688 HydrophobicContact CE-CD2 3.86Å
622Y87Confident79.9Confident111 Ų11154.2 Ų54.244%0.43525%0.245SC..Hα-helixtrans-57.4-49.1173.4178.2-87.9000112E452 Q618 S619 R625 M626E452-Y622 HydrophobicContact CB-CD1 4.07Å; E452-Y622 HydrophobicContact CB-CD2 4.19Å; E452-Y622 HydrophobicContact CB-CE1 4.09Å; E452-Y622 HydrophobicContact CB-CE2 4.2Å; E452-Y622 HydrophobicContact CB-CG 4.11Å; E452-Y622 HydrophobicContact CG-CD1 3.55Å; E452-Y622 HydrophobicContact CG-CE1 3.66Å; E452-Y622 HydrophobicContact CG-CG 4.02Å; Q618-Y622 WeakPolarHBondContact O-CB 3.43Å; Q618-Y622 PolarHBondContact O-N 3.42Å; S619-Y622 PolarHBondContact O-N 3.23Å; Y622-R625 PolarHBondContact O-N 3.2Å; Y622-M626 HydrophobicContact CD1-CG 4.21Å; Y622-M626 HydrophobicContact CE1-CE 4.39Å; Y622-M626 HydrophobicContact CE1-CG 3.82Å; Y622-M626 HydrophobicContact CE2-CE 3.76Å; Y622-M626 WeakPolarHBondContact O-CG 3.44Å; Y622-M626 PolarHBondContact O-N 3.34Å
623R86.3Confident77.9Confident57 Ų5761.8 Ų61.822%0.21529%0.286CS..Hα-helixtrans-66.7-40179.2-70.2171.1-172-120.74.6112.5E452 S619 I620 M621 R625 M626 R627 D644 M647E452-R623 IonicContact OE1-NE 3.83Å; S619-R623 WeakPolarHBondContact O-CB 3.49Å; S619-R623 VanDerWaalsContact O-CG 3.24Å; S619-R623 WeakPolarHBondContact O-CG 3.49Å; S619-R623 PolarHBondContact O-N 3.37Å; S619-R623 PolarHBondContact OG-NE 3.37Å; I620-R623 PolarHBondContact O-N 2.94Å; M621-R623 PolarHBondContact O-N 2.91Å; R623-R625 VanDerWaalsContact C-N 3.32Å; R623-R625 PolarHBondContact O-N 3.01Å; R623-M626 PolarHBondContact O-N 3.04Å; R623-R627 PolarHBondContact O-N 3.48Å; R623-D644 IonicContact CZ-OD2 2.78Å; R623-D644 IonicContact NH1-OD1 2.82Å; R623-D644 IonicContact NH1-OD2 2.79Å; R623-D644 PolarHBondContact NH1-OD2 2.88Å; R623-M647 HydrophobicContact CB-CE 4.39Å; R623-M647 HydrophobicContact CB-SD 4.01Å
624Y81.4Confident75.5Confident43 Ų4365.3 Ų65.317%0.16931%0.309CS..Hα-helixtrans-56.3-48.7174.7179.4-103.1000110.9I620 M621 R627 K628 E682 F687I620-Y624 VanDerWaalsContact O-CB 3.26Å; I620-Y624 WeakPolarHBondContact O-CB 3.31Å; I620-Y624 PolarHBondContact O-N 3.08Å; M621-Y624 PolarHBondContact O-N 3.11Å; M621-Y624 HydrophobicContact SD-CD1 4.12Å; Y624-R627 WeakPolarHBondContact O-CB 3.25Å; Y624-R627 PolarHBondContact O-N 3.38Å; Y624-K628 PolarHBondContact O-N 3.36Å; Y624-E682 PolarHBondContact OH-OE1 3.44Å; Y624-F687 HydrophobicContact CD1-CD1 4.38Å; Y624-F687 HydrophobicContact CD2-CB 4.49Å; Y624-F687 AromaticContact CD2-CD1 3.7Å; Y624-F687 HydrophobicContact CD2-CD1 3.7Å; Y624-F687 AromaticContact CD2-CD2 3.96Å; Y624-F687 HydrophobicContact CD2-CD2 3.96Å; Y624-F687 AromaticContact CD2-CE1 3.79Å; Y624-F687 HydrophobicContact CD2-CE1 3.79Å; Y624-F687 HydrophobicContact CD2-CE2 4.07Å; Y624-F687 AromaticContact CD2-CG 3.79Å; Y624-F687 HydrophobicContact CD2-CG 3.79Å; Y624-F687 AromaticContact CD2-CZ 3.99Å; Y624-F687 HydrophobicContact CD2-CZ 3.99Å; Y624-F687 HydrophobicContact CE2-CB 3.91Å; Y624-F687 AromaticContact CE2-CD1 3.99Å; Y624-F687 HydrophobicContact CE2-CD1 3.99Å; Y624-F687 AromaticContact CE2-CD2 3.83Å; Y624-F687 HydrophobicContact CE2-CD2 3.83Å; Y624-F687 HydrophobicContact CE2-CE1 4.47Å; Y624-F687 HydrophobicContact CE2-CE2 4.35Å; Y624-F687 AromaticContact CE2-CG 3.63Å; Y624-F687 HydrophobicContact CE2-CG 3.63Å; Y624-F687 AromaticContact CG-CD1 3.92Å; Y624-F687 HydrophobicContact CG-CD1 3.92Å; Y624-F687 AromaticContact CG-CE1 3.99Å; Y624-F687 HydrophobicContact CG-CE1 3.99Å; Y624-F687 HydrophobicContact CG-CG 4.4Å
625R78.7Confident73.1Confident132 Ų13271.3 Ų71.350%0.49835%0.351SS..Hα-helixtrans-63-45.3177.6-179.7177.2178.7172.22.1113M621 Y622 R623 R627 K628 H629M621-R625 WeakPolarHBondContact O-CB 3.49Å; M621-R625 PolarHBondContact O-N 3.33Å; Y622-R625 PolarHBondContact O-N 3.2Å; R623-R625 VanDerWaalsContact C-N 3.32Å; R623-R625 PolarHBondContact O-N 3.01Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 3.36Å; R625-K628 PolarHBondContact O-N 3.39Å; R625-K628 VanDerWaalsContact O-N 3.1Å; R625-H629 PolarHBondContact NE-NE2 3.36Å; R625-H629 PolarHBondContact O-N 3.08Å
626M77.6Confident70.5Confident87 Ų8775.4 Ų75.443%0.42938%0.38SS..Hα-helixtrans-58.4-42.9178.1-73.6-66.6155.500111.2Y622 R623 K628 H629 T630Y622-M626 HydrophobicContact CD1-CG 4.21Å; Y622-M626 HydrophobicContact CE1-CE 4.39Å; Y622-M626 HydrophobicContact CE1-CG 3.82Å; Y622-M626 HydrophobicContact CE2-CE 3.76Å; Y622-M626 WeakPolarHBondContact O-CG 3.44Å; Y622-M626 PolarHBondContact O-N 3.34Å; R623-M626 PolarHBondContact O-N 3.04Å; M626-K628 VanDerWaalsContact C-N 3.3Å; M626-K628 PolarHBondContact O-N 2.87Å; M626-H629 PolarHBondContact O-N 3.4Å; M626-T630 PolarHBondContact O-N 2.95Å; M626-T630 PolarHBondContact O-OG1 2.86Å
627R74.4Confident68.1Low101 Ų10182.7 Ų82.738%0.38142%0.424SS..Hα-helixtrans-59.4-39.2175.2-177.8179.8-70.7170.3-5.5112.4R623 Y624 R625 Y631 M647R623-R627 PolarHBondContact O-N 3.48Å; Y624-R627 WeakPolarHBondContact O-CB 3.25Å; Y624-R627 PolarHBondContact O-N 3.38Å; R625-R627 VanDerWaalsContact C-N 3.28Å; R625-R627 PolarHBondContact O-N 3.36Å; R627-Y631 WeakPolarHBondContact O-CD2 3.36Å; R627-M647 PolarHBondContact NH2-O 2.98Å
628K69.1Low65.9Low89 Ų8986.2 Ų86.239%0.38746%0.461SS..Hα-helixtrans-72.2-42.6-178.6-167.5169.4-174.7155.70112.9Y624 R625 M626 T630 Y631 G681 E682Y624-K628 PolarHBondContact O-N 3.36Å; R625-K628 PolarHBondContact O-N 3.39Å; R625-K628 VanDerWaalsContact O-N 3.1Å; M626-K628 VanDerWaalsContact C-N 3.3Å; M626-K628 PolarHBondContact O-N 2.87Å; K628-T630 VanDerWaalsContact C-N 3.28Å; K628-T630 PolarHBondContact O-N 3.24Å; K628-Y631 PolarHBondContact O-N 3.12Å; K628-G681 VanDerWaalsContact NZ-CA 3.33Å; K628-G681 PolarHBondContact NZ-O 3.32Å; K628-E682 IonicContact NZ-OE1 2.73Å; K628-E682 PolarHBondContact NZ-OE1 2.95Å
629H65.4Low63.2Low116 Ų11690 Ų9054%0.53749%0.489SS..Hα-helixtrans-68.4-23.7179.4-76.8-50.4000113.9R625 M626 Y631R625-H629 PolarHBondContact NE-NE2 3.36Å; R625-H629 PolarHBondContact O-N 3.08Å; M626-H629 PolarHBondContact O-N 3.4Å; H629-Y631 VanDerWaalsContact C-N 3.31Å; H629-Y631 PolarHBondContact O-N 3.24Å
630T56.8Low60.8Low93 Ų9396.9 Ų96.957%0.57152%0.522SS*.THydrogen-bonded Turntrans-75.9-14.8176.9-490000113.5M626 K628M626-T630 PolarHBondContact O-N 2.95Å; M626-T630 PolarHBondContact O-OG1 2.86Å; K628-T630 VanDerWaalsContact C-N 3.28Å; K628-T630 PolarHBondContact O-N 3.24Å
631Y52Low58.3Low168 Ų168104 Ų10466%0.65956%0.559SS**  trans-123.570.8-177-73-89.6000115.2R627 K628 H629R627-Y631 WeakPolarHBondContact O-CD2 3.36Å; K628-Y631 PolarHBondContact O-N 3.12Å; H629-Y631 VanDerWaalsContact C-N 3.31Å; H629-Y631 PolarHBondContact O-N 3.24Å
632P46.5Very low56.3Low106 Ų106110.5 Ų110.569%0.68860%0.599SS**SBendtrans-91.4-28.4163-6.625.7000113.5
633N45.8Very low54.1Low159 Ų159112.4 Ų112.485%0.8561%0.61SS**SBendtrans-156.687.1-173.9-91-24.8000113
634C41.7Very low52.3Low74 Ų74112.8 Ų112.850%0.562%0.616SS.*  trans-144.991.7167.2-137.60000112.3
635S38.7Very low50.9Low127 Ų127115 Ų11589%0.88864%0.638SS**  trans-105.730.3169.547.50000112.1
636S37.8Very low49.9Very low87 Ų87114.1 Ų114.161%0.60864%0.643SS**SBendtrans-156.6120.4172.2360000111.7
637T41.9Very low49.8Very low152 Ų152110.3 Ų110.393%0.93362%0.624SS**SBendtrans3.3117.3158.420.80000117.8
638G44.4Very low50.2Low76 Ų76113.4 Ų113.478%0.78464%0.636SS**  trans104.961.6154.100000116.3
639C34.5Very low51.1Low107 Ų107109.4 Ų109.472%0.72362%0.619SS**  trans-124.885.5162.2-75.10000109.8
640E41.2Very low52.1Low144 Ų144112.1 Ų112.167%0.67363%0.625SS**  trans-84.4102.2158.6-67.5-159.7128.700107.7K643E640-K643 IonicContact OE1-NZ 2.78Å; E640-K643 PolarHBondContact OE1-NZ 3.35Å
641N36.4Very low53.6Low150 Ų150108.5 Ų108.580%0.80260%0.601SS**SBendtrans-159.3120.1149-90-36.7000110.9
642V44.1Very low55.6Low141 Ų141100.5 Ų100.586%0.85557%0.57SS**  trans6666.2-176.1-156.30000115.5D644V642-D644 PolarHBondContact O-N 3.3Å
643K41.6Very low57.8Low151 Ų15195.5 Ų95.566%0.65754%0.537SS*.  trans-63.797.2156.7-76.6170.2177.5158.90108.6E640 S645E640-K643 IonicContact OE1-NZ 2.78Å; E640-K643 PolarHBondContact OE1-NZ 3.35Å; K643-S645 PolarHBondContact O-N 3.43Å
644D47.9Very low60.2Low65 Ų6587.9 Ų87.935%0.34850%0.496SS..  trans-75.373.2148-160.210.7000106.6R623 V642 D646R623-D644 IonicContact CZ-OD2 2.78Å; R623-D644 IonicContact NH1-OD1 2.82Å; R623-D644 IonicContact NH1-OD2 2.79Å; R623-D644 PolarHBondContact NH1-OD2 2.88Å; V642-D644 PolarHBondContact O-N 3.3Å; D644-D646 PolarHBondContact O-N 3.31Å; D644-D646 VanDerWaalsContact O-N 3.13Å
645S51.4Low62.7Low91 Ų9184.4 Ų84.464%0.63647%0.473SS*.THydrogen-bonded Turntrans-65.1-3.9175.947.20000113K643K643-S645 PolarHBondContact O-N 3.43Å
646D59.7Low65.3Low113 Ų11378.4 Ų78.460%0.60443%0.43SS*.THydrogen-bonded Turntrans-97.6-16.5-165.7-79.9-1000114.5F596 D644F596-D646 VanDerWaalsContact O-O 3.1Å; D644-D646 PolarHBondContact O-N 3.31Å; D644-D646 VanDerWaalsContact O-N 3.13Å
647M74.5Confident67.9Low6 Ų674.9 Ų74.93%0.0341%0.405CS..  trans-94.4101.7178-168.7175.188.200111.9F596 R623 R627 L649 F687F596-M647 HydrophobicContact CD1-CG 4.21Å; F596-M647 HydrophobicContact CD1-SD 4.17Å; F596-M647 CarbonylContact O-C 3.41Å; F596-M647 WeakPolarHBondContact O-CA 3.41Å; R623-M647 HydrophobicContact CB-CE 4.39Å; R623-M647 HydrophobicContact CB-SD 4.01Å; R627-M647 PolarHBondContact NH2-O 2.98Å; M647-L649 HydrophobicContact CG-CB 3.94Å; M647-L649 HydrophobicContact CG-CD1 3.99Å; M647-L649 HydrophobicContact CG-CG 4.18Å; M647-L649 HydrophobicContact SD-CB 4.43Å; M647-L649 HydrophobicContact SD-CD1 4.1Å; M647-F687 HydrophobicContact CE-CZ 4.32Å
648R83.3Confident70Confident167 Ų16767.9 Ų67.963%0.6336%0.362SS*.  trans-87.9-1.9176.9-67-175.4174.3-166.4-4.4114.2F596 S598 R650F596-R648 PolarHBondContact O-N 3.45Å; S598-R648 CarbonylContact O-C 3.44Å; R648-R650 PolarHBondContact O-N 3.28Å
649L87.5Confident71.8Confident4 Ų472.3 Ų72.32%0.02136%0.355CS..  trans-60.4128.2-177.8-72.1166.8000111.5I595 F596 S598 A601 I620 M647 V652 F687I595-L649 HydrophobicContact CG2-CD1 3.92Å; I595-L649 HydrophobicContact CG2-CD2 4.44Å; I595-L649 WeakPolarHBondContact O-CD2 3.41Å; F596-L649 HydrophobicContact CD1-CD1 4.35Å; S598-L649 VanDerWaalsContact O-CA 3.27Å; S598-L649 WeakPolarHBondContact O-CA 3.32Å; S598-L649 WeakPolarHBondContact O-CD2 3.46Å; S598-L649 PolarHBondContact O-N 2.6Å; S598-L649 VanDerWaalsContact O-N 3.09Å; A601-L649 HydrophobicContact CB-CD2 3.5Å; A601-L649 VanDerWaalsContact CB-CD2 3.5Å; I620-L649 HydrophobicContact CD1-CD1 3.93Å; I620-L649 HydrophobicContact CG1-CD1 4.02Å; M647-L649 HydrophobicContact CG-CB 3.94Å; M647-L649 HydrophobicContact CG-CD1 3.99Å; M647-L649 HydrophobicContact CG-CG 4.18Å; M647-L649 HydrophobicContact SD-CB 4.43Å; M647-L649 HydrophobicContact SD-CD1 4.1Å; L649-V652 HydrophobicContact CD1-CG2 4.37Å; L649-V652 HydrophobicContact CD2-CG2 4.28Å; L649-F687 HydrophobicContact CB-CE2 4.39Å; L649-F687 HydrophobicContact CB-CZ 4.33Å
650R85.6Confident73.7Confident174 Ų17470 Ų7066%0.65734%0.335SS*.SBendtrans-110-32172.3-56.9-176-163.3-1074.3112.1E599 R648 F687E599-R650 PolarHBondContact O-N 3.06Å; R648-R650 PolarHBondContact O-N 3.28Å; R650-F687 WeakPolarHBondContact O-CD2 3.43Å
651K89.8Confident75.5Confident17 Ų1764.1 Ų64.17%0.07431%0.308CS..EExtended strand (participates in β ladder)trans-145.8144.9177.1-175.2169.1-178.1-178.60111.3E599 A601 D653 E689 E748 K750E599-K651 PolarHBondContact O-N 2.83Å; A601-K651 PolarHBondContact N-O 3.29Å; A601-K651 VanDerWaalsContact N-O 3.11Å; K651-D653 WeakPolarHBondContact CE-OD2 3.31Å; K651-D653 IonicContact NZ-OD1 3.37Å; K651-E689 WeakPolarHBondContact CE-OE2 3.46Å; K651-E689 IonicContact NZ-OE2 3.77Å; K651-E689 PolarHBondContact NZ-OE2 2.78Å; K651-E748 WeakPolarHBondContact CE-OE2 3.15Å; K651-E748 IonicContact NZ-OE1 2.99Å; K651-E748 PolarHBondContact NZ-OE1 2.68Å; K651-E748 IonicContact NZ-OE2 3.89Å; K651-E748 PolarHBondContact NZ-OE2 3.32Å; K651-K750 HydrophobicContact CB-CB 4.08Å; K651-K750 HydrophobicContact CB-CG 4.11Å; K651-K750 HydrophobicContact CD-CG 3.9Å
652V92.9Very high77.5Confident0 Ų062.6 Ų62.60%029%0.294CS..EExtended strand (participates in β ladder)trans-126.9122.3173.3-176.20000109.8A601 L603 L617 I620 L649 F687 L688 E689A601-V652 CarbonylContact O-C 3.59Å; A601-V652 WeakPolarHBondContact O-CA 3.16Å; L603-V652 HydrophobicContact CD1-CG1 3.86Å; L603-V652 HydrophobicContact CG-CG1 4.09Å; L617-V652 HydrophobicContact CD2-CG1 4.39Å; I620-V652 HydrophobicContact CD1-CG2 4.22Å; I620-V652 HydrophobicContact CG2-CG2 4.3Å; L649-V652 HydrophobicContact CD1-CG2 4.37Å; L649-V652 HydrophobicContact CD2-CG2 4.28Å; V652-F687 HydrophobicContact CG2-CE1 4.35Å; V652-F687 HydrophobicContact CG2-CZ 4.09Å; V652-F687 PolarHBondContact N-O 3.21Å; V652-L688 HydrophobicContact CB-CD1 3.92Å; V652-L688 HydrophobicContact CG1-CD1 3.69Å; V652-L688 WeakPolarHBondContact O-CA 3.33Å; V652-E689 PolarHBondContact O-N 3.19Å
653D94Very high79.1Confident0 Ų056.5 Ų56.50%026%0.257CS..EExtended strand (participates in β ladder)trans-105.7115.7171.5-70.2-96000109H600 A601 V602 L603 K651 E689 H691 L745H600-D653 IonicContact CD2-OD2 2.99Å; H600-D653 IonicContact CE1-OD2 3.3Å; H600-D653 IonicContact NE2-OD2 2.7Å; H600-D653 PolarHBondContact NE2-OD2 2.82Å; A601-D653 PolarHBondContact O-N 3.18Å; V602-D653 CarbonylContact C-O 3.58Å; V602-D653 WeakPolarHBondContact CA-O 3.5Å; V602-D653 HydrophobicContact CG1-CB 4.35Å; V602-D653 HydrophobicContact CG2-CB 4.34Å; L603-D653 PolarHBondContact N-O 3.24Å; K651-D653 WeakPolarHBondContact CE-OD2 3.31Å; K651-D653 IonicContact NZ-OD1 3.37Å; D653-E689 CarbonylContact C-O 3.6Å; D653-E689 WeakPolarHBondContact CA-O 3.46Å; D653-H691 IonicContact OD1-NE2 3.78Å; D653-L745 HydrophobicContact CB-CD2 3.98Å; D653-L745 VanDerWaalsContact CG-CD2 3.47Å
654F94.6Very high80.8Confident0 Ų049.4 Ų49.40%023%0.227CC..EExtended strand (participates in β ladder)trans-106.5109.3-177.9174.3-108.2000110.5L603 I610 F613 L617 W656 F667 L671 L688 E689 M690 H691L603-F654 HydrophobicContact CB-CD2 3.98Å; L603-F654 CarbonylContact O-C 3.17Å; I610-F654 HydrophobicContact CD1-CE1 4.39Å; I610-F654 HydrophobicContact CD1-CE2 3.29Å; I610-F654 HydrophobicContact CD1-CZ 3.21Å; I610-F654 HydrophobicContact CG1-CE2 4.03Å; I610-F654 HydrophobicContact CG1-CZ 3.65Å; F613-F654 HydrophobicContact CB-CE2 3.94Å; L617-F654 HydrophobicContact CD1-CD1 4.3Å; L617-F654 HydrophobicContact CD1-CD2 3.71Å; L617-F654 HydrophobicContact CD1-CE1 4.26Å; L617-F654 HydrophobicContact CD1-CE2 3.63Å; L617-F654 HydrophobicContact CD1-CG 4.01Å; L617-F654 HydrophobicContact CD1-CZ 3.89Å; L617-F654 HydrophobicContact CD2-CD2 4.45Å; L617-F654 HydrophobicContact CG-CD2 4.45Å; F654-W656 HydrophobicContact CE1-CB 3.91Å; F654-W656 HydrophobicContact CZ-CB 4Å; F654-W656 HydrophobicContact CZ-CG 4.43Å; F654-F667 HydrophobicContact CE1-CE1 4.21Å; F654-F667 HydrophobicContact CZ-CD1 4.49Å; F654-F667 AromaticContact CZ-CE1 3.67Å; F654-F667 HydrophobicContact CZ-CE1 3.67Å; F654-F667 HydrophobicContact CZ-CZ 4.48Å; F654-L671 HydrophobicContact CD1-CD2 4.36Å; F654-L671 HydrophobicContact CE1-CD1 4.14Å; F654-L671 HydrophobicContact CE1-CD2 3.78Å; F654-L671 HydrophobicContact CZ-CD2 4.37Å; F654-L688 HydrophobicContact CB-CD1 3.99Å; F654-E689 PolarHBondContact N-O 3.29Å; F654-M690 HydrophobicContact CB-CG 4.37Å; F654-M690 HydrophobicContact CD1-CB 4.23Å; F654-M690 HydrophobicContact CD1-CG 4.09Å; F654-M690 CarbonylContact O-C 3.6Å; F654-M690 WeakPolarHBondContact O-CA 3.14Å; F654-H691 PolarHBondContact O-N 2.86Å
655I94.9Very high82.3Confident1 Ų150.6 Ų50.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-107.7113.2-179.2-56.7173.9000109.2V602 L603 I604 G605 I657 H691 Y693 W738 V741V602-I655 HydrophobicContact CG1-CD1 4.09Å; L603-I655 PolarHBondContact O-N 3.44Å; I604-I655 CarbonylContact C-O 3.48Å; I604-I655 WeakPolarHBondContact CA-O 3.08Å; I604-I655 HydrophobicContact CD1-CD1 4.45Å; I604-I655 HydrophobicContact CG1-CB 4.19Å; I604-I655 HydrophobicContact CG1-CD1 4.18Å; I604-I655 HydrophobicContact CG2-CB 4.43Å; I604-I655 HydrophobicContact CG2-CG2 4.42Å; G605-I655 PolarHBondContact N-O 3.29Å; I655-I657 HydrophobicContact CG2-CD1 4.42Å; I655-I657 HydrophobicContact CG2-CG1 4.16Å; I655-H691 CarbonylContact C-O 3.57Å; I655-H691 WeakPolarHBondContact CA-O 3.21Å; I655-H691 HydrophobicContact CG1-CB 4.1Å; I655-Y693 HydrophobicContact CG2-CD2 3.78Å; I655-Y693 HydrophobicContact CG2-CE2 3.78Å; I655-W738 HydrophobicContact CD1-CZ3 4.18Å; I655-W738 HydrophobicContact CG2-CH2 4.27Å; I655-V741 HydrophobicContact CD1-CG1 3.83Å
656W93.6Very high83.6Confident0 Ų047 Ų470%020%0.203CC..EExtended strand (participates in β ladder)trans-113.9121.3176.9-168.319.7000112.3G607 I610 F654 N658 S663 F664 F667 L671 H691 M692 Y693G607-W656 PolarHBondContact O-NE1 2.98Å; I610-W656 HydrophobicContact CB-CZ2 4.29Å; I610-W656 HydrophobicContact CD1-CB 3.93Å; I610-W656 HydrophobicContact CD1-CD2 4Å; I610-W656 HydrophobicContact CD1-CG 3.49Å; I610-W656 VanDerWaalsContact CD1-CG 3.49Å; I610-W656 HydrophobicContact CG1-CD2 3.89Å; I610-W656 HydrophobicContact CG1-CG 3.95Å; I610-W656 HydrophobicContact CG1-CZ2 4.37Å; I610-W656 HydrophobicContact CG2-CZ2 3.89Å; F654-W656 HydrophobicContact CE1-CB 3.91Å; F654-W656 HydrophobicContact CZ-CB 4Å; F654-W656 HydrophobicContact CZ-CG 4.43Å; W656-N658 WeakPolarHBondContact CZ2-ND2 3.22Å; W656-N658 PolarHBondContact NE1-ND2 3.12Å; W656-N658 PolarHBondContact NE1-OD1 2.67Å; W656-S663 WeakPolarHBondContact CH2-O 3.45Å; W656-S663 WeakPolarHBondContact CZ2-O 3.48Å; W656-F664 AromaticContact CD2-CD1 3.99Å; W656-F664 HydrophobicContact CD2-CD1 3.99Å; W656-F664 AromaticContact CD2-CE1 3.92Å; W656-F664 HydrophobicContact CD2-CE1 3.92Å; W656-F664 AromaticContact CE3-CD1 3.39Å; W656-F664 HydrophobicContact CE3-CD1 3.39Å; W656-F664 AromaticContact CE3-CE1 3.7Å; W656-F664 HydrophobicContact CE3-CE1 3.7Å; W656-F664 HydrophobicContact CG-CE1 4.32Å; W656-F664 HydrophobicContact CH2-CB 4.37Å; W656-F664 AromaticContact CH2-CD1 3.97Å; W656-F664 HydrophobicContact CH2-CD1 3.97Å; W656-F664 HydrophobicContact CH2-CG 4.47Å; W656-F664 HydrophobicContact CZ3-CB 4.2Å; W656-F664 AromaticContact CZ3-CD1 3.37Å; W656-F664 HydrophobicContact CZ3-CD1 3.37Å; W656-F664 HydrophobicContact CZ3-CE1 4.15Å; W656-F664 HydrophobicContact CZ3-CG 4.18Å; W656-F667 HydrophobicContact CD2-CD1 4.49Å; W656-F667 AromaticContact CE3-CD1 3.85Å; W656-F667 HydrophobicContact CE3-CD1 3.85Å; W656-F667 HydrophobicContact CH2-CB 3.28Å; W656-F667 AromaticContact CH2-CD1 3.93Å; W656-F667 HydrophobicContact CH2-CD1 3.93Å; W656-F667 AromaticContact CH2-CG 3.96Å; W656-F667 HydrophobicContact CH2-CG 3.96Å; W656-F667 HydrophobicContact CZ2-CB 4.17Å; W656-F667 HydrophobicContact CZ3-CB 3.56Å; W656-F667 AromaticContact CZ3-CD1 3.54Å; W656-F667 HydrophobicContact CZ3-CD1 3.54Å; W656-F667 AromaticContact CZ3-CG 3.99Å; W656-F667 HydrophobicContact CZ3-CG 3.99Å; W656-L671 HydrophobicContact CE3-CD1 3.98Å; W656-L671 HydrophobicContact CZ3-CD1 4.14Å; W656-H691 PolarHBondContact N-O 2.91Å; W656-M692 HydrophobicContact CB-SD 4.49Å; W656-M692 WeakPolarHBondContact O-CA 3.47Å; W656-Y693 PolarHBondContact O-N 3.2Å
657I91.8Very high84.6Confident13 Ų1341.8 Ų41.87%0.06718%0.175CC..EExtended strand (participates in β ladder)trans-113.1121.7-176.3-52.7163.3000109.6I604 G605 A606 G607 I655 Y693 T695 P736 W738 L763I604-I657 HydrophobicContact CG2-CD1 4.23Å; G605-I657 PolarHBondContact O-N 3.35Å; A606-I657 CarbonylContact C-O 3.6Å; A606-I657 VanDerWaalsContact CA-O 3.3Å; A606-I657 WeakPolarHBondContact CA-O 3.46Å; A606-I657 HydrophobicContact CB-CB 4.48Å; G607-I657 PolarHBondContact N-O 3.08Å; I655-I657 HydrophobicContact CG2-CD1 4.42Å; I655-I657 HydrophobicContact CG2-CG1 4.16Å; I657-Y693 WeakPolarHBondContact CA-O 3.38Å; I657-Y693 HydrophobicContact CG1-CD2 4.42Å; I657-T695 HydrophobicContact CG2-CG2 3.55Å; I657-P736 HydrophobicContact CD1-CG 3.84Å; I657-P736 HydrophobicContact CG1-CG 4.07Å; I657-W738 HydrophobicContact CD1-CH2 3.69Å; I657-W738 HydrophobicContact CD1-CZ2 3.52Å; I657-L763 HydrophobicContact CD1-CD2 3.84Å
658N86.7Confident85Confident6 Ų642.6 Ų42.63%0.03218%0.18CC..EExtended strand (participates in β ladder)trans-125.8165.8171.7-74-46.2000111.5G607 W656 F664 Y693 T695G607-N658 WeakPolarHBondContact CA-OD1 3.4Å; G607-N658 PolarHBondContact N-OD1 2.95Å; W656-N658 WeakPolarHBondContact CZ2-ND2 3.22Å; W656-N658 PolarHBondContact NE1-ND2 3.12Å; W656-N658 PolarHBondContact NE1-OD1 2.67Å; N658-F664 HydrophobicContact CB-CD2 4.15Å; N658-F664 HydrophobicContact CB-CE1 4.28Å; N658-F664 HydrophobicContact CB-CE2 3.59Å; N658-F664 HydrophobicContact CB-CZ 3.65Å; N658-F664 WeakPolarHBondContact ND2-CD1 3.42Å; N658-F664 VanDerWaalsContact ND2-CE1 3.28Å; N658-F664 WeakPolarHBondContact ND2-CE1 3.24Å; N658-Y693 PolarHBondContact N-O 3.39Å; N658-T695 PolarHBondContact O-N 3.08Å; N658-T695 PolarHBondContact O-OG1 3.14Å
659R80.9Confident84.9Confident168 Ų16838.8 Ų38.863%0.63418%0.179SC*.SBendtrans-76.9-64.8169.3-163.3-176.4178.4163.4-0.9108.7M694 T695 S696R659-M694 WeakPolarHBondContact O-CG 3.17Å; R659-T695 WeakPolarHBondContact CA-OG1 3.45Å; R659-S696 VanDerWaalsContact C-OG 3.23Å; R659-S696 PolarHBondContact O-N 3Å; R659-S696 PolarHBondContact O-OG 2.86Å
660D76Confident84.8Confident60 Ų6039.7 Ų39.732%0.32118%0.183SC..SBendtrans-116.8156.8-166-41.9-58.7000112.4A112 K662 S663 S696A112-D660 HydrophobicContact CB-CB 4.19Å; D660-K662 VanDerWaalsContact C-N 3.32Å; D660-K662 PolarHBondContact O-N 3.15Å; D660-S663 VanDerWaalsContact O-CB 3.3Å; D660-S663 WeakPolarHBondContact O-CB 3.4Å; D660-S663 PolarHBondContact O-N 3.41Å; D660-S696 PolarHBondContact OD1-OG 3.3Å
661Q79.5Confident84.9Confident19 Ų1931.4 Ų31.49%0.08915%0.152CC..G310 helixtrans-55.8-42.3-177.7-176.4-179.54.400113.1S114 S663 F664 M694 I724S114-Q661 PolarHBondContact O-NE2 3.35Å; S114-Q661 PolarHBondContact O-OE1 2.93Å; S114-Q661 VanDerWaalsContact O-OE1 3.12Å; Q661-S663 PolarHBondContact O-N 3.28Å; Q661-F664 WeakPolarHBondContact O-CB 3.45Å; Q661-F664 PolarHBondContact O-N 3.5Å; Q661-M694 HydrophobicContact CB-SD 4.06Å; Q661-I724 HydrophobicContact CB-CG2 4.44Å; Q661-I724 HydrophobicContact CG-CG2 3.78Å; Q661-I724 PolarHBondContact NE2-O 3.42Å
662K77.1Confident84.7Confident119 Ų11932.6 Ų32.652%0.51716%0.161SC..G310 helixtrans-57.9-16.5179-64.5-177.5178.3176.70114.4P408 S409 D660 F664 E665P408-K662 HydrophobicContact CB-CB 4.5Å; S409-K662 VanDerWaalsContact OG-C 3.27Å; S409-K662 PolarHBondContact OG-O 3.42Å; D660-K662 VanDerWaalsContact C-N 3.32Å; D660-K662 PolarHBondContact O-N 3.15Å; K662-F664 VanDerWaalsContact C-N 3.34Å; K662-E665 WeakPolarHBondContact CA-OE1 3.24Å; K662-E665 WeakPolarHBondContact CG-OE1 3.29Å
663S78Confident84.3Confident12 Ų1238.1 Ų38.18%0.08419%0.185CC..G310 helixtrans-79-19.4175.7-61.20000112.8S409 W656 D660 Q661 W666S409-S663 PolarHBondContact OG-N 3.1Å; W656-S663 WeakPolarHBondContact CH2-O 3.45Å; W656-S663 WeakPolarHBondContact CZ2-O 3.48Å; D660-S663 VanDerWaalsContact O-CB 3.3Å; D660-S663 WeakPolarHBondContact O-CB 3.4Å; D660-S663 PolarHBondContact O-N 3.41Å; Q661-S663 PolarHBondContact O-N 3.28Å; S663-W666 PolarHBondContact O-NE1 3.08Å
664F78.2Confident83.9Confident2 Ų238.2 Ų38.21%0.00919%0.186CC..THydrogen-bonded Turntrans-81.3-37.7177.4-69.7-80.3000112.4W656 N658 Q661 K662 W666 F667 V668 M692 M694 T725W656-F664 AromaticContact CD2-CD1 3.99Å; W656-F664 HydrophobicContact CD2-CD1 3.99Å; W656-F664 AromaticContact CD2-CE1 3.92Å; W656-F664 HydrophobicContact CD2-CE1 3.92Å; W656-F664 AromaticContact CE3-CD1 3.39Å; W656-F664 HydrophobicContact CE3-CD1 3.39Å; W656-F664 AromaticContact CE3-CE1 3.7Å; W656-F664 HydrophobicContact CE3-CE1 3.7Å; W656-F664 HydrophobicContact CG-CE1 4.32Å; W656-F664 HydrophobicContact CH2-CB 4.37Å; W656-F664 AromaticContact CH2-CD1 3.97Å; W656-F664 HydrophobicContact CH2-CD1 3.97Å; W656-F664 HydrophobicContact CH2-CG 4.47Å; W656-F664 HydrophobicContact CZ3-CB 4.2Å; W656-F664 AromaticContact CZ3-CD1 3.37Å; W656-F664 HydrophobicContact CZ3-CD1 3.37Å; W656-F664 HydrophobicContact CZ3-CE1 4.15Å; W656-F664 HydrophobicContact CZ3-CG 4.18Å; N658-F664 HydrophobicContact CB-CD2 4.15Å; N658-F664 HydrophobicContact CB-CE1 4.28Å; N658-F664 HydrophobicContact CB-CE2 3.59Å; N658-F664 HydrophobicContact CB-CZ 3.65Å; N658-F664 WeakPolarHBondContact ND2-CD1 3.42Å; N658-F664 VanDerWaalsContact ND2-CE1 3.28Å; N658-F664 WeakPolarHBondContact ND2-CE1 3.24Å; Q661-F664 WeakPolarHBondContact O-CB 3.45Å; Q661-F664 PolarHBondContact O-N 3.5Å; K662-F664 VanDerWaalsContact C-N 3.34Å; F664-W666 VanDerWaalsContact C-N 3.29Å; F664-W666 PolarHBondContact O-N 3.47Å; F664-F667 PolarHBondContact O-N 3.01Å; F664-V668 HydrophobicContact CB-CG2 3.86Å; F664-V668 VanDerWaalsContact O-CG2 3.24Å; F664-V668 WeakPolarHBondContact O-CG2 3.44Å; F664-V668 PolarHBondContact O-N 3.44Å; F664-M692 HydrophobicContact CD1-CG 4.29Å; F664-M692 HydrophobicContact CE1-CB 4.03Å; F664-M692 HydrophobicContact CE1-CG 3.86Å; F664-M692 HydrophobicContact CZ-CB 4.4Å; F664-M694 HydrophobicContact CE2-CB 4.2Å; F664-M694 HydrophobicContact CE2-CG 4.39Å; F664-T725 HydrophobicContact CB-CG2 4.23Å; F664-T725 HydrophobicContact CD1-CG2 4.42Å; F664-T725 HydrophobicContact CG-CG2 4.21Å
665E78.3Confident83.4Confident90 Ų9039.2 Ų39.242%0.42119%0.19SC..Hα-helixtrans-47.1-43.9-169.4-70.2174.9-147.200114.9P408 K662 F667P408-E665 HydrophobicContact CB-CB 4.34Å; P408-E665 WeakPolarHBondContact CB-OE2 3.36Å; P408-E665 HydrophobicContact CG-CB 3.93Å; P408-E665 WeakPolarHBondContact CG-OE2 3.46Å; K662-E665 WeakPolarHBondContact CA-OE1 3.24Å; K662-E665 WeakPolarHBondContact CG-OE1 3.29Å; E665-F667 VanDerWaalsContact C-N 3.27Å; E665-F667 PolarHBondContact O-N 3.15Å
666W78.4Confident82.6Confident17 Ų1745.1 Ų45.16%0.06422%0.219CC..Hα-helixtrans-69.6-22.9-174.776.3-92.7000114.1L407 H460 I608 I610 T611 S663 F664L407-W666 HydrophobicContact CB-CB 3.82Å; L407-W666 HydrophobicContact CD1-CB 3.63Å; L407-W666 HydrophobicContact CG-CB 4.23Å; H460-W666 HydrophobicContact CB-CH2 4.19Å; H460-W666 HydrophobicContact CB-CZ3 3.93Å; H460-W666 AromaticContact CD2-CE3 3.16Å; H460-W666 AromaticContact CD2-CZ3 3.23Å; H460-W666 WeakPolarHBondContact CD2-CZ3 3.27Å; H460-W666 AromaticContact CE1-CZ3 3.92Å; H460-W666 AromaticContact CG-CE3 3.84Å; H460-W666 AromaticContact CG-CZ3 3.4Å; H460-W666 VanDerWaalsContact CG-CZ3 3.4Å; H460-W666 AromaticContact ND1-CZ3 3.83Å; H460-W666 AromaticContact NE2-CE3 3.47Å; H460-W666 AromaticContact NE2-CZ3 3.59Å; I608-W666 HydrophobicContact CD1-CH2 4.43Å; I608-W666 HydrophobicContact CD1-CZ2 3.85Å; I610-W666 HydrophobicContact CG2-CH2 3.46Å; I610-W666 VanDerWaalsContact CG2-CH2 3.46Å; I610-W666 HydrophobicContact CG2-CZ2 3.23Å; T611-W666 HydrophobicContact CG2-CH2 3.79Å; T611-W666 HydrophobicContact CG2-CZ2 4.36Å; S663-W666 PolarHBondContact O-NE1 3.08Å; F664-W666 VanDerWaalsContact C-N 3.29Å; F664-W666 PolarHBondContact O-N 3.47Å
667F81.8Confident81.8Confident3 Ų348.8 Ų48.81%0.01324%0.236CC..Hα-helixtrans-109.8-18.2-176.1-164.7-115.3000112.7I610 A614 L617 F654 W656 F664 E665 S669 L670 L671I610-F667 HydrophobicContact CG1-CD1 4.02Å; I610-F667 HydrophobicContact CG1-CE1 3.77Å; I610-F667 HydrophobicContact CG1-CZ 4.18Å; I610-F667 HydrophobicContact CG2-CD2 4.46Å; I610-F667 HydrophobicContact CG2-CG 4.39Å; A614-F667 HydrophobicContact CB-CD2 4.34Å; A614-F667 HydrophobicContact CB-CE2 3.33Å; A614-F667 HydrophobicContact CB-CZ 3.94Å; L617-F667 HydrophobicContact CD1-CZ 4.37Å; F654-F667 HydrophobicContact CE1-CE1 4.21Å; F654-F667 HydrophobicContact CZ-CD1 4.49Å; F654-F667 AromaticContact CZ-CE1 3.67Å; F654-F667 HydrophobicContact CZ-CE1 3.67Å; F654-F667 HydrophobicContact CZ-CZ 4.48Å; W656-F667 HydrophobicContact CD2-CD1 4.49Å; W656-F667 AromaticContact CE3-CD1 3.85Å; W656-F667 HydrophobicContact CE3-CD1 3.85Å; W656-F667 HydrophobicContact CH2-CB 3.28Å; W656-F667 AromaticContact CH2-CD1 3.93Å; W656-F667 HydrophobicContact CH2-CD1 3.93Å; W656-F667 AromaticContact CH2-CG 3.96Å; W656-F667 HydrophobicContact CH2-CG 3.96Å; W656-F667 HydrophobicContact CZ2-CB 4.17Å; W656-F667 HydrophobicContact CZ3-CB 3.56Å; W656-F667 AromaticContact CZ3-CD1 3.54Å; W656-F667 HydrophobicContact CZ3-CD1 3.54Å; W656-F667 AromaticContact CZ3-CG 3.99Å; W656-F667 HydrophobicContact CZ3-CG 3.99Å; F664-F667 PolarHBondContact O-N 3.01Å; E665-F667 VanDerWaalsContact C-N 3.27Å; E665-F667 PolarHBondContact O-N 3.15Å; F667-S669 VanDerWaalsContact C-N 3.27Å; F667-S669 PolarHBondContact O-N 3.08Å; F667-L670 HydrophobicContact CD2-CD2 4.23Å; F667-L670 HydrophobicContact CE2-CB 4.47Å; F667-L670 HydrophobicContact CE2-CD2 3.42Å; F667-L670 VanDerWaalsContact CE2-CD2 3.42Å; F667-L670 HydrophobicContact CE2-CG 4.46Å; F667-L670 HydrophobicContact CZ-CD2 3.77Å; F667-L670 WeakPolarHBondContact O-CB 3.18Å; F667-L670 PolarHBondContact O-N 3.36Å; F667-L670 VanDerWaalsContact O-N 3.11Å; F667-L671 HydrophobicContact CD1-CD1 3.8Å; F667-L671 HydrophobicContact CD1-CD2 3.97Å; F667-L671 HydrophobicContact CD1-CG 3.67Å; F667-L671 HydrophobicContact CE1-CD1 4.12Å; F667-L671 HydrophobicContact CE1-CD2 3.47Å; F667-L671 VanDerWaalsContact CE1-CD2 3.47Å; F667-L671 HydrophobicContact CE1-CG 3.74Å; F667-L671 HydrophobicContact CZ-CD2 4.28Å; F667-L671 PolarHBondContact O-N 3.48Å; F667-L671 VanDerWaalsContact O-N 3.15Å
668V81.5Confident81.1Confident22 Ų2249.1 Ų49.113%0.13324%0.237CC..Hα-helixtrans-54.4-42.4179.7159.20000111.7F664 L670 L671 T672 T725F664-V668 HydrophobicContact CB-CG2 3.86Å; F664-V668 VanDerWaalsContact O-CG2 3.24Å; F664-V668 WeakPolarHBondContact O-CG2 3.44Å; F664-V668 PolarHBondContact O-N 3.44Å; V668-L670 PolarHBondContact O-N 3.33Å; V668-L671 CarbonylContact O-C 3.56Å; V668-L671 WeakPolarHBondContact O-CA 3.26Å; V668-L671 WeakPolarHBondContact O-CB 3.34Å; V668-L671 PolarHBondContact O-N 3.45Å; V668-T672 PolarHBondContact O-N 2.9Å; V668-T672 PolarHBondContact O-OG1 2.96Å; V668-T725 WeakPolarHBondContact CG1-O 3.42Å; V668-T725 HydrophobicContact CG2-CG2 4.37Å
669S81.6Confident80.3Confident87 Ų8751 Ų5161%0.60825%0.254SS*.Hα-helixtrans-57.8-36.7179.760.20000113.1F667 K673F667-S669 VanDerWaalsContact C-N 3.27Å; F667-S669 PolarHBondContact O-N 3.08Å; S669-K673 PolarHBondContact O-N 3.13Å
670L85.4Confident79.4Confident23 Ų2350.4 Ų50.412%0.1226%0.264CS..Hα-helixtrans-70.5-44.3173.7178.465.8000111.1A614 Q618 F667 V668 T672 K673 L674A614-L670 HydrophobicContact CB-CD2 4.33Å; Q618-L670 HydrophobicContact CG-CD1 3.45Å; Q618-L670 VanDerWaalsContact CG-CD1 3.45Å; Q618-L670 HydrophobicContact CG-CD2 3.94Å; Q618-L670 HydrophobicContact CG-CG 4.27Å; F667-L670 HydrophobicContact CD2-CD2 4.23Å; F667-L670 HydrophobicContact CE2-CB 4.47Å; F667-L670 HydrophobicContact CE2-CD2 3.42Å; F667-L670 VanDerWaalsContact CE2-CD2 3.42Å; F667-L670 HydrophobicContact CE2-CG 4.46Å; F667-L670 HydrophobicContact CZ-CD2 3.77Å; F667-L670 WeakPolarHBondContact O-CB 3.18Å; F667-L670 PolarHBondContact O-N 3.36Å; F667-L670 VanDerWaalsContact O-N 3.11Å; V668-L670 PolarHBondContact O-N 3.33Å; L670-T672 VanDerWaalsContact C-N 3.34Å; L670-T672 PolarHBondContact O-N 2.6Å; L670-K673 WeakPolarHBondContact O-CB 3.42Å; L670-K673 PolarHBondContact O-N 3.18Å; L670-L674 HydrophobicContact CD1-CG 4.37Å; L670-L674 HydrophobicContact CG-CD1 4.1Å; L670-L674 HydrophobicContact CG-CG 4.39Å; L670-L674 VanDerWaalsContact O-CG 3.31Å; L670-L674 WeakPolarHBondContact O-CG 3.42Å; L670-L674 PolarHBondContact O-N 3.5Å
671L88.1Confident78.5Confident0 Ų048.8 Ų48.80%026%0.261CS..Hα-helixtrans-61.3-42.5178.6-66-176.5000112L617 F654 W656 F667 V668 K673 L674 E675 M690 M692 L727L617-L671 HydrophobicContact CD1-CD2 4.35Å; F654-L671 HydrophobicContact CD1-CD2 4.36Å; F654-L671 HydrophobicContact CE1-CD1 4.14Å; F654-L671 HydrophobicContact CE1-CD2 3.78Å; F654-L671 HydrophobicContact CZ-CD2 4.37Å; W656-L671 HydrophobicContact CE3-CD1 3.98Å; W656-L671 HydrophobicContact CZ3-CD1 4.14Å; F667-L671 HydrophobicContact CD1-CD1 3.8Å; F667-L671 HydrophobicContact CD1-CD2 3.97Å; F667-L671 HydrophobicContact CD1-CG 3.67Å; F667-L671 HydrophobicContact CE1-CD1 4.12Å; F667-L671 HydrophobicContact CE1-CD2 3.47Å; F667-L671 VanDerWaalsContact CE1-CD2 3.47Å; F667-L671 HydrophobicContact CE1-CG 3.74Å; F667-L671 HydrophobicContact CZ-CD2 4.28Å; F667-L671 PolarHBondContact O-N 3.48Å; F667-L671 VanDerWaalsContact O-N 3.15Å; V668-L671 CarbonylContact O-C 3.56Å; V668-L671 WeakPolarHBondContact O-CA 3.26Å; V668-L671 WeakPolarHBondContact O-CB 3.34Å; V668-L671 PolarHBondContact O-N 3.45Å; L671-K673 VanDerWaalsContact C-N 3.31Å; L671-K673 PolarHBondContact O-N 2.63Å; L671-L674 HydrophobicContact CD2-CD1 4.33Å; L671-L674 PolarHBondContact O-N 2.93Å; L671-E675 WeakPolarHBondContact O-CB 3.32Å; L671-E675 PolarHBondContact O-N 3.49Å; L671-M690 HydrophobicContact CB-SD 4.36Å; L671-M690 HydrophobicContact CD2-SD 3.82Å; L671-M692 HydrophobicContact CD1-SD 4.5Å; L671-L727 HydrophobicContact CB-CD1 3.91Å; L671-L727 HydrophobicContact CB-CD2 3.74Å; L671-L727 HydrophobicContact CB-CG 4.5Å; L671-L727 HydrophobicContact CD1-CD1 3.89Å
672T85.4Confident77.4Confident43 Ų4351.5 Ų51.526%0.26427%0.274SS..Hα-helixtrans-59.5-44.6175-53.30000110.5V668 L670 L674 E675 M676 L727V668-T672 PolarHBondContact O-N 2.9Å; V668-T672 PolarHBondContact O-OG1 2.96Å; L670-T672 VanDerWaalsContact C-N 3.34Å; L670-T672 PolarHBondContact O-N 2.6Å; T672-L674 PolarHBondContact O-N 3.18Å; T672-E675 PolarHBondContact O-N 3.16Å; T672-M676 HydrophobicContact CG2-CG 4.5Å; T672-M676 HydrophobicContact CG2-SD 4.16Å; T672-M676 WeakPolarHBondContact O-CB 3.29Å; T672-M676 VanDerWaalsContact O-CG 3.28Å; T672-M676 WeakPolarHBondContact O-CG 3.47Å; T672-M676 PolarHBondContact O-N 3.41Å; T672-L727 VanDerWaalsContact N-CD2 3.32Å; T672-L727 WeakPolarHBondContact OG1-CD2 3.49Å
673K85.2Confident76.2Confident116 Ų11652.1 Ų52.150%0.50429%0.29SS..Hα-helixtrans-59.8-46.2175.8-179.6179.5172.8-179.50111.6S669 L670 L671 E675 M676 E677S669-K673 PolarHBondContact O-N 3.13Å; L670-K673 WeakPolarHBondContact O-CB 3.42Å; L670-K673 PolarHBondContact O-N 3.18Å; L671-K673 VanDerWaalsContact C-N 3.31Å; L671-K673 PolarHBondContact O-N 2.63Å; K673-E675 VanDerWaalsContact C-N 3.33Å; K673-E675 PolarHBondContact O-N 3.14Å; K673-M676 PolarHBondContact O-N 3.25Å; K673-E677 WeakPolarHBondContact CE-OE1 3.23Å; K673-E677 IonicContact NZ-OE1 2.64Å; K673-E677 WeakPolarHBondContact O-CB 3.48Å; K673-E677 VanDerWaalsContact O-CG 3.27Å; K673-E677 WeakPolarHBondContact O-CG 3.48Å; K673-E677 PolarHBondContact O-N 3.15Å
674L85.3Confident75Confident2 Ų260.2 Ų60.21%0.0133%0.326CS..Hα-helixtrans-64.3-37.2178.8-67.1171.8000112.3L617 M621 L670 L671 T672 Q678 L688L617-L674 HydrophobicContact CB-CD1 3.74Å; L617-L674 HydrophobicContact CD1-CD1 4.24Å; M621-L674 HydrophobicContact CB-CD2 3.62Å; M621-L674 HydrophobicContact CG-CD2 3.89Å; L670-L674 HydrophobicContact CD1-CG 4.37Å; L670-L674 HydrophobicContact CG-CD1 4.1Å; L670-L674 HydrophobicContact CG-CG 4.39Å; L670-L674 VanDerWaalsContact O-CG 3.31Å; L670-L674 WeakPolarHBondContact O-CG 3.42Å; L670-L674 PolarHBondContact O-N 3.5Å; L671-L674 HydrophobicContact CD2-CD1 4.33Å; L671-L674 PolarHBondContact O-N 2.93Å; T672-L674 PolarHBondContact O-N 3.18Å; L674-Q678 PolarHBondContact O-N 3.43Å; L674-L688 HydrophobicContact CB-CD2 4.42Å
675E83Confident74.2Confident21 Ų2162.4 Ų62.410%0.09835%0.349CS..Hα-helixtrans-69.3-42.7178.1-165.1171.5-130.800111.9L671 T672 K673 Q678 A679 M690 L727 R728 T729L671-E675 WeakPolarHBondContact O-CB 3.32Å; L671-E675 PolarHBondContact O-N 3.49Å; T672-E675 PolarHBondContact O-N 3.16Å; K673-E675 VanDerWaalsContact C-N 3.33Å; K673-E675 PolarHBondContact O-N 3.14Å; E675-Q678 PolarHBondContact O-N 3.39Å; E675-A679 PolarHBondContact O-N 2.84Å; E675-A679 VanDerWaalsContact O-N 3.11Å; E675-M690 HydrophobicContact CB-CE 3.89Å; E675-M690 HydrophobicContact CG-CE 4.02Å; E675-L727 WeakPolarHBondContact OE2-CA 3.46Å; E675-R728 VanDerWaalsContact CD-N 3.28Å; E675-R728 HydrophobicContact CG-CB 4.43Å; E675-R728 HydrophobicContact CG-CG 4.42Å; E675-R728 WeakPolarHBondContact OE1-CA 3.35Å; E675-R728 VanDerWaalsContact OE1-CB 3.27Å; E675-R728 WeakPolarHBondContact OE1-CB 3.38Å; E675-R728 PolarHBondContact OE1-N 2.95Å; E675-R728 PolarHBondContact OE2-N 3.49Å; E675-T729 PolarHBondContact OE1-N 3.15Å; E675-T729 PolarHBondContact OE1-OG1 3.26Å
676M80Confident74Confident125 Ų12563.9 Ų63.962%0.61636%0.356SS*.Hα-helixtrans-61-45.6172.8-71177.670.500111.3T672 K673 Q678 A679T672-M676 HydrophobicContact CG2-CG 4.5Å; T672-M676 HydrophobicContact CG2-SD 4.16Å; T672-M676 WeakPolarHBondContact O-CB 3.29Å; T672-M676 VanDerWaalsContact O-CG 3.28Å; T672-M676 WeakPolarHBondContact O-CG 3.47Å; T672-M676 PolarHBondContact O-N 3.41Å; K673-M676 PolarHBondContact O-N 3.25Å; M676-Q678 PolarHBondContact O-N 3.19Å; M676-A679 PolarHBondContact O-N 3.11Å
677E76.7Confident74.4Confident76 Ų7663.8 Ų63.836%0.35536%0.356SS..Hα-helixtrans-62.4-28.4179-75.9175.7179.800113.4M621 K673M621-E677 HydrophobicContact CG-CB 4.27Å; M621-E677 WeakPolarHBondContact CG-OE2 3.28Å; K673-E677 WeakPolarHBondContact CE-OE1 3.23Å; K673-E677 IonicContact NZ-OE1 2.64Å; K673-E677 WeakPolarHBondContact O-CB 3.48Å; K673-E677 VanDerWaalsContact O-CG 3.27Å; K673-E677 WeakPolarHBondContact O-CG 3.48Å; K673-E677 PolarHBondContact O-N 3.15Å
678Q77.1Confident74.7Confident20 Ų2063.8 Ų63.89%0.09336%0.356CS..Hα-helixtrans-82.5-30.7176.2-178.6169-97.900113.1M621 L674 E675 M676 D680 G681 L688M621-Q678 HydrophobicContact CE-CB 4.25Å; L674-Q678 PolarHBondContact O-N 3.43Å; E675-Q678 PolarHBondContact O-N 3.39Å; M676-Q678 PolarHBondContact O-N 3.19Å; Q678-D680 VanDerWaalsContact C-N 3.28Å; Q678-D680 PolarHBondContact O-N 3.41Å; Q678-G681 PolarHBondContact O-N 2.93Å; Q678-L688 PolarHBondContact NE2-O 3.39Å
679A69.3Low75.1Confident46 Ų4664.7 Ų64.738%0.3836%0.359SS..Hα-helixtrans-65.1-28.2-17500000113.7E675 M676 G681E675-A679 PolarHBondContact O-N 2.84Å; E675-A679 VanDerWaalsContact O-N 3.11Å; M676-A679 PolarHBondContact O-N 3.11Å; A679-G681 PolarHBondContact O-N 3.07Å
680D61.5Low75.5Confident156 Ų15660.8 Ų60.883%0.83433%0.331SS*.THydrogen-bonded Turntrans-7619.2-178.1-66.5-20.8000113.6Q678Q678-D680 VanDerWaalsContact C-N 3.28Å; Q678-D680 PolarHBondContact O-N 3.41Å
681G56.5Low75.7Confident26 Ų2660.8 Ų60.827%0.26833%0.331SS..SBendtrans-128.5-51-153.900000120.8K628 Q678 A679K628-G681 VanDerWaalsContact NZ-CA 3.33Å; K628-G681 PolarHBondContact NZ-O 3.32Å; Q678-G681 PolarHBondContact O-N 2.93Å; A679-G681 PolarHBondContact O-N 3.07Å
682E56.3Low75.8Confident75 Ų7560.8 Ų60.835%0.3533%0.331SS..  trans-125.9131.6-147.5-73.3-65.5138.400117.2Y624 K628Y624-E682 PolarHBondContact OH-OE1 3.44Å; K628-E682 IonicContact NZ-OE1 2.73Å; K628-E682 PolarHBondContact NZ-OE1 2.95Å
683P51.8Low76Confident132 Ų13259.4 Ų59.486%0.85732%0.321SS*.SBendtrans-85.2-18156.1-623.5000114.7
684E53.4Low76Confident183 Ų18353.9 Ų53.986%0.85530%0.297SS*.SBendtrans-105.314.8-168.2-80.8-171.9164.800115.9
685G62.3Low75.8Confident47 Ų4756 Ų5649%0.48531%0.31SS..  trans97.9173.9176.600000114.5
686Q74.3Confident75.3Confident122 Ų12256.7 Ų56.757%0.5732%0.317SS*.  trans-82.2124-172.9-67.6178.99.300111.9
687F85Confident74.7Confident14 Ų1451 Ų516%0.06129%0.29CS..SBendtrans-70.6-42.2176.2168.4-105.4000112.4I620 Y624 M647 L649 R650 V652I620-F687 HydrophobicContact CG2-CE1 3.46Å; I620-F687 VanDerWaalsContact CG2-CE1 3.46Å; I620-F687 HydrophobicContact CG2-CZ 3.87Å; Y624-F687 HydrophobicContact CD1-CD1 4.38Å; Y624-F687 HydrophobicContact CD2-CB 4.49Å; Y624-F687 AromaticContact CD2-CD1 3.7Å; Y624-F687 HydrophobicContact CD2-CD1 3.7Å; Y624-F687 AromaticContact CD2-CD2 3.96Å; Y624-F687 HydrophobicContact CD2-CD2 3.96Å; Y624-F687 AromaticContact CD2-CE1 3.79Å; Y624-F687 HydrophobicContact CD2-CE1 3.79Å; Y624-F687 HydrophobicContact CD2-CE2 4.07Å; Y624-F687 AromaticContact CD2-CG 3.79Å; Y624-F687 HydrophobicContact CD2-CG 3.79Å; Y624-F687 AromaticContact CD2-CZ 3.99Å; Y624-F687 HydrophobicContact CD2-CZ 3.99Å; Y624-F687 HydrophobicContact CE2-CB 3.91Å; Y624-F687 AromaticContact CE2-CD1 3.99Å; Y624-F687 HydrophobicContact CE2-CD1 3.99Å; Y624-F687 AromaticContact CE2-CD2 3.83Å; Y624-F687 HydrophobicContact CE2-CD2 3.83Å; Y624-F687 HydrophobicContact CE2-CE1 4.47Å; Y624-F687 HydrophobicContact CE2-CE2 4.35Å; Y624-F687 AromaticContact CE2-CG 3.63Å; Y624-F687 HydrophobicContact CE2-CG 3.63Å; Y624-F687 AromaticContact CG-CD1 3.92Å; Y624-F687 HydrophobicContact CG-CD1 3.92Å; Y624-F687 AromaticContact CG-CE1 3.99Å; Y624-F687 HydrophobicContact CG-CE1 3.99Å; Y624-F687 HydrophobicContact CG-CG 4.4Å; M647-F687 HydrophobicContact CE-CZ 4.32Å; L649-F687 HydrophobicContact CB-CE2 4.39Å; L649-F687 HydrophobicContact CB-CZ 4.33Å; R650-F687 WeakPolarHBondContact O-CD2 3.43Å; V652-F687 HydrophobicContact CG2-CE1 4.35Å; V652-F687 HydrophobicContact CG2-CZ 4.09Å; V652-F687 PolarHBondContact N-O 3.21Å
688L89.6Confident74.1Confident3 Ų348.6 Ų48.62%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-108110.1173.1174.463.6000108.7L617 M621 V652 F654 L674 Q678 M690L617-L688 HydrophobicContact CD2-CD1 3.62Å; L617-L688 HydrophobicContact CD2-CD2 4.13Å; M621-L688 HydrophobicContact CE-CB 4.2Å; M621-L688 HydrophobicContact CE-CD2 3.86Å; V652-L688 HydrophobicContact CB-CD1 3.92Å; V652-L688 HydrophobicContact CG1-CD1 3.69Å; V652-L688 WeakPolarHBondContact O-CA 3.33Å; F654-L688 HydrophobicContact CB-CD1 3.99Å; L674-L688 HydrophobicContact CB-CD2 4.42Å; Q678-L688 PolarHBondContact NE2-O 3.39Å; L688-M690 HydrophobicContact CD1-CG 4.42Å; L688-M690 HydrophobicContact CD2-CG 4.4Å; L688-M690 HydrophobicContact CD2-SD 4.42Å; L688-M690 HydrophobicContact CG-CG 4.06Å
689E89.3Confident73.3Confident41 Ų4149.2 Ų49.219%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-100.1127.9171.2-166.7172168.300108.5K651 V652 D653 F654 H691 K744K651-E689 WeakPolarHBondContact CE-OE2 3.46Å; K651-E689 IonicContact NZ-OE2 3.77Å; K651-E689 PolarHBondContact NZ-OE2 2.78Å; V652-E689 PolarHBondContact O-N 3.19Å; D653-E689 CarbonylContact C-O 3.6Å; D653-E689 WeakPolarHBondContact CA-O 3.46Å; F654-E689 PolarHBondContact N-O 3.29Å; E689-H691 IonicContact OE1-CE1 3.98Å; E689-H691 PolarHBondContact OE1-CE1 3.47Å; E689-H691 IonicContact OE1-NE2 3.2Å; E689-K744 IonicContact OE1-NZ 3.83Å; E689-K744 PolarHBondContact OE1-NZ 3.49Å; E689-K744 IonicContact OE2-NZ 3.7Å
690M89.9Confident72.8Confident6 Ų650.8 Ų50.83%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-107.7148.2-178.2-56.7-176.3-72.400109.7F654 L671 E675 L688 M692 T729F654-M690 HydrophobicContact CB-CG 4.37Å; F654-M690 HydrophobicContact CD1-CB 4.23Å; F654-M690 HydrophobicContact CD1-CG 4.09Å; F654-M690 CarbonylContact O-C 3.6Å; F654-M690 WeakPolarHBondContact O-CA 3.14Å; L671-M690 HydrophobicContact CB-SD 4.36Å; L671-M690 HydrophobicContact CD2-SD 3.82Å; E675-M690 HydrophobicContact CB-CE 3.89Å; E675-M690 HydrophobicContact CG-CE 4.02Å; L688-M690 HydrophobicContact CD1-CG 4.42Å; L688-M690 HydrophobicContact CD2-CG 4.4Å; L688-M690 HydrophobicContact CD2-SD 4.42Å; L688-M690 HydrophobicContact CG-CG 4.06Å; M690-M692 HydrophobicContact CB-CE 3.52Å; M690-M692 HydrophobicContact CB-SD 4.1Å; M690-T729 HydrophobicContact CB-CG2 4.16Å; M690-T729 WeakPolarHBondContact O-CG2 3.45Å
691H90.8Very high72.5Confident23 Ų2346 Ų4611%0.10626%0.258CS..EExtended strand (participates in β ladder)trans-142.2113.2178.2-58.3-64.8000110.1D653 F654 I655 W656 E689 Y693D653-H691 IonicContact OD1-NE2 3.78Å; F654-H691 PolarHBondContact O-N 2.86Å; I655-H691 CarbonylContact C-O 3.57Å; I655-H691 WeakPolarHBondContact CA-O 3.21Å; I655-H691 HydrophobicContact CG1-CB 4.1Å; W656-H691 PolarHBondContact N-O 2.91Å; E689-H691 IonicContact OE1-CE1 3.98Å; E689-H691 PolarHBondContact OE1-CE1 3.47Å; E689-H691 IonicContact OE1-NE2 3.2Å; H691-Y693 HydrophobicContact CB-CD2 4.45Å; H691-Y693 HydrophobicContact CB-CE2 3.83Å
692M89.4Confident72.7Confident0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-105.8128.8-175.2-80.942.966.200107.7W656 F664 L671 M690 L727 T729 T731 Q732W656-M692 HydrophobicContact CB-SD 4.49Å; W656-M692 WeakPolarHBondContact O-CA 3.47Å; F664-M692 HydrophobicContact CD1-CG 4.29Å; F664-M692 HydrophobicContact CE1-CB 4.03Å; F664-M692 HydrophobicContact CE1-CG 3.86Å; F664-M692 HydrophobicContact CZ-CB 4.4Å; L671-M692 HydrophobicContact CD1-SD 4.5Å; M690-M692 HydrophobicContact CB-CE 3.52Å; M690-M692 HydrophobicContact CB-SD 4.1Å; M692-L727 HydrophobicContact CE-CD1 4.47Å; M692-T729 HydrophobicContact CE-CG2 3.3Å; M692-T731 HydrophobicContact CB-CG2 4.22Å; M692-Q732 PolarHBondContact O-N 3.42Å
693Y89.5Confident72.8Confident13 Ų1344 Ų445%0.05124%0.244CC..EExtended strand (participates in β ladder)trans-124125.2-179.5-72.1-87.2000110.9I655 W656 I657 N658 H691 Q732 P736I655-Y693 HydrophobicContact CG2-CD2 3.78Å; I655-Y693 HydrophobicContact CG2-CE2 3.78Å; W656-Y693 PolarHBondContact O-N 3.2Å; I657-Y693 WeakPolarHBondContact CA-O 3.38Å; I657-Y693 HydrophobicContact CG1-CD2 4.42Å; N658-Y693 PolarHBondContact N-O 3.39Å; H691-Y693 HydrophobicContact CB-CD2 4.45Å; H691-Y693 HydrophobicContact CB-CE2 3.83Å; Y693-Q732 WeakPolarHBondContact CA-O 3.39Å; Y693-Q732 HydrophobicContact CD1-CB 3.67Å; Y693-Q732 HydrophobicContact CE1-CB 3.63Å; Y693-Q732 HydrophobicContact CE1-CG 4.2Å; Y693-Q732 HydrophobicContact CG-CB 4.42Å; Y693-Q732 PolarHBondContact OH-NE2 3.44Å; Y693-Q732 PolarHBondContact OH-OE1 2.91Å; Y693-P736 HydrophobicContact CD1-CB 4.11Å; Y693-P736 HydrophobicContact CD1-CG 3.71Å; Y693-P736 HydrophobicContact CD2-CB 4.37Å; Y693-P736 HydrophobicContact CD2-CG 3.72Å; Y693-P736 HydrophobicContact CE1-CB 3.85Å; Y693-P736 HydrophobicContact CE1-CG 3.97Å; Y693-P736 HydrophobicContact CE2-CB 4.09Å; Y693-P736 HydrophobicContact CE2-CG 3.94Å; Y693-P736 HydrophobicContact CG-CB 4.37Å; Y693-P736 HydrophobicContact CG-CG 3.59Å
694M84.6Confident73.2Confident1 Ų138.7 Ų38.71%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-111.7103.7178.2-171.5166.560.300110.5I113 R659 Q661 F664 S696 A697 I724 T731 Q732 G734I113-M694 HydrophobicContact CD1-CE 3.67Å; I113-M694 HydrophobicContact CG1-CE 3.32Å; I113-M694 HydrophobicContact CG1-SD 4.48Å; R659-M694 WeakPolarHBondContact O-CG 3.17Å; Q661-M694 HydrophobicContact CB-SD 4.06Å; F664-M694 HydrophobicContact CE2-CB 4.2Å; F664-M694 HydrophobicContact CE2-CG 4.39Å; M694-S696 PolarHBondContact O-N 3.3Å; M694-A697 HydrophobicContact CB-CB 3.98Å; M694-A697 HydrophobicContact CE-CB 3.35Å; M694-A697 HydrophobicContact CG-CB 3.93Å; M694-A697 VanDerWaalsContact O-CB 3.25Å; M694-A697 WeakPolarHBondContact O-CB 3.37Å; M694-A697 PolarHBondContact O-N 2.91Å; M694-A697 HydrophobicContact SD-CB 4.42Å; M694-I724 HydrophobicContact CE-CD1 4.04Å; M694-I724 HydrophobicContact CE-CG2 4.29Å; M694-T731 HydrophobicContact CB-CG2 4.03Å; M694-Q732 PolarHBondContact N-O 3.45Å; M694-G734 PolarHBondContact O-N 3.18Å
695T82Confident73.7Confident47 Ų4730 Ų3029%0.28817%0.167SC..THydrogen-bonded Turntrans-78.4-17.7-168.157.80000115.4I657 N658 R659 R735I657-T695 HydrophobicContact CG2-CG2 3.55Å; N658-T695 PolarHBondContact O-N 3.08Å; N658-T695 PolarHBondContact O-OG1 3.14Å; R659-T695 WeakPolarHBondContact CA-OG1 3.45Å; T695-R735 HydrophobicContact CG2-CG 3.9Å
696S72.6Confident74Confident35 Ų3528 Ų2825%0.24515%0.145CC..THydrogen-bonded Turntrans-96.2-3.4169.657.20000113.3A112 R659 D660 M694 L698A112-S696 WeakPolarHBondContact CB-OG 3.25Å; R659-S696 VanDerWaalsContact C-OG 3.23Å; R659-S696 PolarHBondContact O-N 3Å; R659-S696 PolarHBondContact O-OG 2.86Å; D660-S696 PolarHBondContact OD1-OG 3.3Å; M694-S696 PolarHBondContact O-N 3.3Å; S696-L698 PolarHBondContact O-N 3.39Å
697A67.2Low73.9Confident6 Ų622.5 Ų22.55%0.0512%0.121CC..SBendtrans-63.2135.7167.600000108.6M694 S699 P733M694-A697 HydrophobicContact CB-CB 3.98Å; M694-A697 HydrophobicContact CE-CB 3.35Å; M694-A697 HydrophobicContact CG-CB 3.93Å; M694-A697 VanDerWaalsContact O-CB 3.25Å; M694-A697 WeakPolarHBondContact O-CB 3.37Å; M694-A697 PolarHBondContact O-N 2.91Å; M694-A697 HydrophobicContact SD-CB 4.42Å; A697-S699 PolarHBondContact O-N 3.37Å; A697-P733 HydrophobicContact CB-CB 3.69Å
698L63.9Low73.4Confident24 Ų2421.9 Ų21.913%0.12612%0.118CC..PPolyproline II helixtrans-55.8127.2170.2-65.9166.5000108.2E110 S696 D702 K704 A705 P733E110-L698 HydrophobicContact CB-CD1 4.24Å; S696-L698 PolarHBondContact O-N 3.39Å; L698-D702 HydrophobicContact CB-CB 4.07Å; L698-D702 HydrophobicContact CD2-CB 4.2Å; L698-D702 WeakPolarHBondContact CD2-OD2 3.36Å; L698-K704 HydrophobicContact CD1-CB 4.39Å; L698-A705 HydrophobicContact CB-CB 3.33Å; L698-A705 HydrophobicContact CD1-CB 3.97Å; L698-A705 HydrophobicContact CG-CB 4.27Å; L698-P733 VanDerWaalsContact O-CB 3.31Å; L698-P733 WeakPolarHBondContact O-CB 3.4Å
699S60.7Low72.8Confident34 Ų3422.3 Ų22.324%0.23812%0.12CC..PPolyproline II helixtrans-72.4164.9-175.173.10000110.4A697 N701 D702A697-S699 PolarHBondContact O-N 3.37Å; S699-N701 PolarHBondContact O-N 3.4Å; S699-N701 WeakPolarHBondContact OG-CB 3.44Å; S699-N701 PolarHBondContact OG-N 2.82Å; S699-D702 PolarHBondContact O-N 3.35Å
700K58.8Low72.2Confident79 Ų7920.9 Ų20.934%0.34311%0.113SC..THydrogen-bonded Turntrans-55.1-16.7168.6-70.1-172.9168.9-165.40113.3E153 N157 P733E153-K700 IonicContact OE2-NZ 2.66Å; E153-K700 PolarHBondContact OE2-NZ 2.94Å; N157-K700 WeakPolarHBondContact CB-O 3.36Å; N157-K700 PolarHBondContact ND2-O 2.87Å; K700-P733 HydrophobicContact CG-CG 4.35Å
701N55.5Low71.5Confident54 Ų5420.6 Ų20.629%0.28911%0.112SC..THydrogen-bonded Turntrans-90.21.6179.2-6142.5000113.2N157 S161 S699N157-N701 PolarHBondContact OD1-ND2 2.93Å; N157-N701 VanDerWaalsContact OD1-ND2 3.14Å; N157-N701 PolarHBondContact OD1-OD1 2.99Å; S161-N701 WeakPolarHBondContact CB-O 3.46Å; S699-N701 PolarHBondContact O-N 3.4Å; S699-N701 WeakPolarHBondContact OG-CB 3.44Å; S699-N701 PolarHBondContact OG-N 2.82Å
702D60.1Low70.9Confident52 Ų5219.9 Ų19.928%0.27811%0.109SC..  trans-94.4121.2171-92.7-54.5000110S161 L698 S699 K704 A705S161-D702 WeakPolarHBondContact OG-CA 3.36Å; L698-D702 HydrophobicContact CB-CB 4.07Å; L698-D702 HydrophobicContact CD2-CB 4.2Å; L698-D702 WeakPolarHBondContact CD2-OD2 3.36Å; S699-D702 PolarHBondContact O-N 3.35Å; D702-K704 PolarHBondContact O-N 2.99Å; D702-A705 HydrophobicContact CB-CB 4.06Å; D702-A705 PolarHBondContact O-N 3.04Å
703M57.2Low70.3Confident8 Ų821.8 Ų21.84%0.03912%0.119CC..G310 helixtrans-57.3-33.3177.4164.6172.454.500111.6F47 F82 L83 L158 S161 A162 A705F47-M703 HydrophobicContact CD1-CE 4.4Å; F47-M703 HydrophobicContact CE1-CE 3.35Å; F47-M703 HydrophobicContact CE1-SD 4Å; F47-M703 HydrophobicContact CE2-CE 4.07Å; F47-M703 HydrophobicContact CZ-CE 3.18Å; F47-M703 HydrophobicContact CZ-SD 4.08Å; F82-M703 HydrophobicContact CD1-SD 4.37Å; F82-M703 HydrophobicContact CE1-CE 4.41Å; F82-M703 HydrophobicContact CE1-SD 4.02Å; L83-M703 HydrophobicContact CD1-CG 4.11Å; L158-M703 HydrophobicContact CD2-CB 4.19Å; L158-M703 HydrophobicContact CD2-CG 3.72Å; L158-M703 HydrophobicContact CD2-SD 4.12Å; S161-M703 WeakPolarHBondContact OG-CB 3.25Å; S161-M703 PolarHBondContact OG-N 2.94Å; A162-M703 HydrophobicContact CB-CE 3.39Å; A162-M703 HydrophobicContact CB-SD 4.08Å; M703-A705 PolarHBondContact O-N 3.46Å
704K60.2Low69.9Low21 Ų2122.6 Ų22.69%0.09112%0.124CC..G310 helixtrans-66.1-22.5176.5-53.6-173.4-178.4-167.40113.2F43 C107 E110 L698 D702F43-K704 HydrophobicContact CB-CD 4.04Å; F43-K704 HydrophobicContact CB-CG 4.41Å; F43-K704 HydrophobicContact CD1-CG 4.16Å; F43-K704 HydrophobicContact CD2-CB 4.27Å; F43-K704 HydrophobicContact CD2-CD 3.81Å; F43-K704 HydrophobicContact CD2-CG 4.12Å; F43-K704 HydrophobicContact CE1-CB 4.45Å; F43-K704 HydrophobicContact CE1-CG 4.49Å; F43-K704 HydrophobicContact CE2-CB 4.12Å; F43-K704 HydrophobicContact CE2-CD 4.43Å; F43-K704 HydrophobicContact CE2-CG 4.45Å; F43-K704 HydrophobicContact CG-CB 4.49Å; F43-K704 HydrophobicContact CG-CD 3.88Å; F43-K704 HydrophobicContact CG-CG 3.96Å; F43-K704 HydrophobicContact CZ-CB 4.22Å; C107-K704 PolarHBondContact SG-O 3.46Å; E110-K704 IonicContact OE1-NZ 3.11Å; E110-K704 PolarHBondContact OE1-NZ 3.03Å; E110-K704 WeakPolarHBondContact OE2-CD 3.24Å; E110-K704 WeakPolarHBondContact OE2-CE 3.36Å; E110-K704 IonicContact OE2-NZ 3.02Å; E110-K704 PolarHBondContact OE2-NZ 3.42Å; L698-K704 HydrophobicContact CD1-CB 4.39Å; D702-K704 PolarHBondContact O-N 2.99Å
705A65.1Low69.7Low1 Ų122.7 Ų22.71%0.00813%0.125CC..G310 helixtrans-103.1-3.1-170.600000114L698 D702 M703 L708 Q709L698-A705 HydrophobicContact CB-CB 3.33Å; L698-A705 HydrophobicContact CD1-CB 3.97Å; L698-A705 HydrophobicContact CG-CB 4.27Å; D702-A705 HydrophobicContact CB-CB 4.06Å; D702-A705 PolarHBondContact O-N 3.04Å; M703-A705 PolarHBondContact O-N 3.46Å; A705-L708 PolarHBondContact O-N 3.29Å; A705-Q709 HydrophobicContact CB-CG 4.41Å; A705-Q709 WeakPolarHBondContact O-CB 3.42Å; A705-Q709 WeakPolarHBondContact O-CG 3.17Å; A705-Q709 PolarHBondContact O-N 3.22Å
706I69.4Low69.6Low5 Ų521.4 Ų21.43%0.02612%0.119CC..Hα-helixtrans-60.4-57.5-174.3-72165.2000111.4L148 V154 L158 L708 Q709 M710L148-I706 HydrophobicContact CD2-CG2 4.13Å; V154-I706 HydrophobicContact CB-CG2 4.36Å; V154-I706 HydrophobicContact CG1-CB 4.11Å; V154-I706 HydrophobicContact CG1-CD1 3.71Å; V154-I706 HydrophobicContact CG1-CG1 3.85Å; V154-I706 HydrophobicContact CG1-CG2 3.18Å; V154-I706 HydrophobicContact CG2-CG2 4.26Å; L158-I706 HydrophobicContact CD1-CD1 4.06Å; L158-I706 HydrophobicContact CD2-CD1 3.4Å; L158-I706 VanDerWaalsContact CD2-CD1 3.4Å; L158-I706 HydrophobicContact CG-CD1 3.37Å; I706-L708 VanDerWaalsContact C-N 3.26Å; I706-L708 PolarHBondContact O-N 3.4Å; I706-Q709 PolarHBondContact O-N 3.35Å; I706-Q709 VanDerWaalsContact O-N 3.15Å; I706-M710 HydrophobicContact CG2-SD 3.95Å; I706-M710 WeakPolarHBondContact O-CG 3.3Å; I706-M710 PolarHBondContact O-N 3.02Å
707G70.6Confident70.1Confident5 Ų528.3 Ų28.35%0.05214%0.144CC..Hα-helixtrans-58.8-40.8179.200000111.6Y87 M710 A711Y87-G707 WeakPolarHBondContact OH-CA 3.11Å; Y87-G707 PolarHBondContact OH-N 2.96Å; G707-M710 PolarHBondContact O-N 3.41Å; G707-A711 WeakPolarHBondContact O-CB 3.47Å; G707-A711 PolarHBondContact O-N 2.8Å
708L75.2Confident70.8Confident1 Ų134.1 Ų34.11%0.00517%0.169CC..Hα-helixtrans-64.2-44176179.661.8000112.9L104 C107 L108 I113 A705 I706 A711 L712L104-L708 HydrophobicContact CD2-CB 4.09Å; L104-L708 HydrophobicContact CD2-CD1 4.31Å; C107-L708 HydrophobicContact CB-CB 3.9Å; C107-L708 HydrophobicContact CB-CD2 3.75Å; C107-L708 HydrophobicContact CB-CG 4.35Å; L108-L708 HydrophobicContact CD2-CD1 3.72Å; L108-L708 HydrophobicContact CD2-CD2 3.94Å; L108-L708 HydrophobicContact CD2-CG 4.48Å; L108-L708 HydrophobicContact CG-CD1 3.92Å; L108-L708 HydrophobicContact CG-CD2 4.29Å; I113-L708 HydrophobicContact CD1-CD2 4.45Å; A705-L708 PolarHBondContact O-N 3.29Å; I706-L708 VanDerWaalsContact C-N 3.26Å; I706-L708 PolarHBondContact O-N 3.4Å; L708-A711 PolarHBondContact O-N 3.46Å; L708-L712 HydrophobicContact CD1-CD1 4.16Å; L708-L712 HydrophobicContact CD1-CG 4.26Å; L708-L712 HydrophobicContact CG-CD1 4.02Å; L708-L712 WeakPolarHBondContact O-CB 3.27Å; L708-L712 WeakPolarHBondContact O-CD1 3.27Å; L708-L712 WeakPolarHBondContact O-CG 3.05Å; L708-L712 PolarHBondContact O-N 3.36Å
709Q76.8Confident71.6Confident13 Ų1336.2 Ų36.26%0.06118%0.178CC..Hα-helixtrans-67.1-38178.2-71.5-59.5-45.400111.7A705 I706 D713A705-Q709 HydrophobicContact CB-CG 4.41Å; A705-Q709 WeakPolarHBondContact O-CB 3.42Å; A705-Q709 WeakPolarHBondContact O-CG 3.17Å; A705-Q709 PolarHBondContact O-N 3.22Å; I706-Q709 PolarHBondContact O-N 3.35Å; I706-Q709 VanDerWaalsContact O-N 3.15Å; Q709-D713 WeakPolarHBondContact O-CB 3.26Å; Q709-D713 PolarHBondContact O-N 3.37Å
710M75.9Confident72.6Confident10 Ų1041.5 Ų41.55%0.04920%0.199CC..Hα-helixtrans-65.5-47.3174.3-72.3175.663.800111.5L127 E147 L148 F151 I706 G707 L712 D713 L714L127-M710 HydrophobicContact CD1-CB 4.19Å; E147-M710 HydrophobicContact CG-CE 4.12Å; L148-M710 HydrophobicContact CD2-CE 3.94Å; L148-M710 HydrophobicContact CD2-SD 3.44Å; L148-M710 WeakPolarHBondContact CD2-SD 3.28Å; F151-M710 HydrophobicContact CD2-CE 3.6Å; F151-M710 HydrophobicContact CD2-SD 4.41Å; F151-M710 HydrophobicContact CE2-CE 3.65Å; F151-M710 HydrophobicContact CG-CE 4.4Å; F151-M710 HydrophobicContact CZ-CE 4.47Å; I706-M710 HydrophobicContact CG2-SD 3.95Å; I706-M710 WeakPolarHBondContact O-CG 3.3Å; I706-M710 PolarHBondContact O-N 3.02Å; G707-M710 PolarHBondContact O-N 3.41Å; M710-L712 VanDerWaalsContact C-N 3.32Å; M710-L712 PolarHBondContact O-N 3.24Å; M710-D713 PolarHBondContact O-N 2.86Å; M710-L714 WeakPolarHBondContact O-CG 3.27Å; M710-L714 PolarHBondContact O-N 2.94Å
711A76.3Confident73.7Confident0 Ų043 Ų430%021%0.205CC..Hα-helixtrans-57.7-46.2175.900000111.3L104 L123 L127 G707 L708 D713 L714 L715L104-A711 HydrophobicContact CD1-CB 4.46Å; L104-A711 HydrophobicContact CD2-CB 4.33Å; L123-A711 HydrophobicContact CB-CB 4.22Å; L123-A711 HydrophobicContact CD2-CB 3.82Å; L123-A711 VanDerWaalsContact CD2-O 3.3Å; L123-A711 WeakPolarHBondContact CD2-O 3.41Å; L127-A711 HydrophobicContact CB-CB 4.05Å; L127-A711 HydrophobicContact CD2-CB 4.1Å; G707-A711 WeakPolarHBondContact O-CB 3.47Å; G707-A711 PolarHBondContact O-N 2.8Å; L708-A711 PolarHBondContact O-N 3.46Å; A711-D713 VanDerWaalsContact C-N 3.27Å; A711-D713 PolarHBondContact O-N 2.88Å; A711-L714 PolarHBondContact O-N 3.38Å; A711-L715 VanDerWaalsContact O-CB 3.31Å; A711-L715 WeakPolarHBondContact O-CB 3.33Å; A711-L715 PolarHBondContact O-N 2.97Å
712L77.4Confident74.8Confident9 Ų940.9 Ų40.95%0.04719%0.194CC..Hα-helixtrans-60.7-36.1175.8-73.3168.2000112.1I113 L115 L123 L708 M710 A716 I724I113-L712 HydrophobicContact CD1-CD1 4.4Å; L115-L712 HydrophobicContact CD1-CD2 4.41Å; L123-L712 HydrophobicContact CD1-CD2 4.18Å; L123-L712 HydrophobicContact CD2-CD2 4.06Å; L123-L712 HydrophobicContact CD2-CG 4.31Å; L708-L712 HydrophobicContact CD1-CD1 4.16Å; L708-L712 HydrophobicContact CD1-CG 4.26Å; L708-L712 HydrophobicContact CG-CD1 4.02Å; L708-L712 WeakPolarHBondContact O-CB 3.27Å; L708-L712 WeakPolarHBondContact O-CD1 3.27Å; L708-L712 WeakPolarHBondContact O-CG 3.05Å; L708-L712 PolarHBondContact O-N 3.36Å; M710-L712 VanDerWaalsContact C-N 3.32Å; M710-L712 PolarHBondContact O-N 3.24Å; L712-A716 WeakPolarHBondContact O-CB 3.35Å; L712-A716 PolarHBondContact O-N 2.93Å; L712-I724 HydrophobicContact CD1-CD1 4.33Å; L712-I724 HydrophobicContact CD2-CG1 4.46Å
713D78.2Confident75.5Confident39 Ų3939.5 Ų39.521%0.20919%0.188CC..Hα-helixtrans-73-43.2179.3-76.8-9.2000113.3Q709 M710 A711 A716 K717 R730Q709-D713 WeakPolarHBondContact O-CB 3.26Å; Q709-D713 PolarHBondContact O-N 3.37Å; M710-D713 PolarHBondContact O-N 2.86Å; A711-D713 VanDerWaalsContact C-N 3.27Å; A711-D713 PolarHBondContact O-N 2.88Å; D713-A716 PolarHBondContact O-N 3.44Å; D713-K717 WeakPolarHBondContact O-CB 3.11Å; D713-K717 PolarHBondContact O-N 3Å; D713-R730 IonicContact OD1-CZ 3.7Å; D713-R730 IonicContact OD1-NE 3.63Å; D713-R730 PolarHBondContact OD1-NE 2.79Å; D713-R730 VanDerWaalsContact OD1-NE 3.1Å; D713-R730 IonicContact OD1-NH1 2.69Å; D713-R730 PolarHBondContact OD1-NH1 2.92Å; D713-R730 IonicContact OD1-NH2 2.92Å; D713-R730 PolarHBondContact OD1-NH2 3.19Å; D713-R730 IonicContact OD2-CZ 3.5Å; D713-R730 IonicContact OD2-NH1 3.66Å; D713-R730 PolarHBondContact OD2-NH1 3.44Å; D713-R730 IonicContact OD2-NH2 3.18Å; D713-R730 PolarHBondContact OD2-NH2 3.1Å
714L81.2Confident76.2Confident31 Ų3139.9 Ų39.916%0.16219%0.19CC..Hα-helixtrans-65.4-44.8176-67.5170.7000110.6V126 L127 M710 A711 K717 K718V126-L714 HydrophobicContact CG1-CB 3.48Å; V126-L714 VanDerWaalsContact CG1-CB 3.48Å; L127-L714 HydrophobicContact CD1-CD1 3.86Å; M710-L714 WeakPolarHBondContact O-CG 3.27Å; M710-L714 PolarHBondContact O-N 2.94Å; A711-L714 PolarHBondContact O-N 3.38Å; L714-K717 PolarHBondContact O-N 2.93Å; L714-K718 WeakPolarHBondContact O-CB 3.3Å; L714-K718 PolarHBondContact O-N 3.1Å
715L79.4Confident77Confident3 Ų339.5 Ų39.52%0.01619%0.19CC..Hα-helixtrans-65.7-41177.4-171.265.3000111.3D122 L123 V126 A711 K717 K718 E719 S723D122-L715 HydrophobicContact CB-CD1 4.34Å; D122-L715 HydrophobicContact CB-CD2 4.45Å; L123-L715 HydrophobicContact CD2-CB 3.74Å; L123-L715 HydrophobicContact CD2-CD2 3.5Å; L123-L715 VanDerWaalsContact CD2-CD2 3.5Å; L123-L715 HydrophobicContact CD2-CG 4.25Å; L123-L715 HydrophobicContact CG-CD2 3.7Å; V126-L715 HydrophobicContact CG2-CD1 3.92Å; A711-L715 VanDerWaalsContact O-CB 3.31Å; A711-L715 WeakPolarHBondContact O-CB 3.33Å; A711-L715 PolarHBondContact O-N 2.97Å; L715-K717 VanDerWaalsContact C-N 3.31Å; L715-K717 PolarHBondContact O-N 3.35Å; L715-K718 PolarHBondContact O-N 3.17Å; L715-K718 VanDerWaalsContact O-N 3.16Å; L715-E719 HydrophobicContact CD1-CG 4.02Å; L715-E719 HydrophobicContact CG-CG 4.27Å; L715-E719 WeakPolarHBondContact O-CB 3.25Å; L715-E719 PolarHBondContact O-N 3.38Å; L715-S723 WeakPolarHBondContact CD2-OG 3.39Å
716A80.9Confident77.4Confident20 Ų2041.1 Ų41.117%0.16521%0.207CC..Hα-helixtrans-64.3-35.3175.700000112.8L712 D713 E720 K721L712-A716 WeakPolarHBondContact O-CB 3.35Å; L712-A716 PolarHBondContact O-N 2.93Å; D713-A716 PolarHBondContact O-N 3.44Å; A716-E720 WeakPolarHBondContact O-CA 3.21Å; A716-E720 PolarHBondContact O-N 3.36Å; A716-K721 VanDerWaalsContact CA-O 3.28Å; A716-K721 WeakPolarHBondContact CA-O 3.3Å; A716-K721 WeakPolarHBondContact CB-O 3.37Å; A716-K721 PolarHBondContact O-N 2.95Å
717K82.9Confident77.9Confident179 Ų17940.9 Ų40.978%0.77821%0.206SC*.Hα-helixtrans-68.9-34.7173.5-170.5178.9179.2-174.80112D713 L714 L715D713-K717 WeakPolarHBondContact O-CB 3.11Å; D713-K717 PolarHBondContact O-N 3Å; L714-K717 PolarHBondContact O-N 2.93Å; L715-K717 VanDerWaalsContact C-N 3.31Å; L715-K717 PolarHBondContact O-N 3.35Å
718K81.9Confident78.3Confident129 Ų12947.8 Ų47.856%0.56123%0.23SC*.Hα-helixtrans-72.8-42.1176.8-172.1176.3-177.6173.40112.4V126 E129 L714 L715V126-K718 HydrophobicContact CG2-CD 3.61Å; E129-K718 IonicContact OE2-NZ 2.74Å; L714-K718 WeakPolarHBondContact O-CB 3.3Å; L714-K718 PolarHBondContact O-N 3.1Å; L715-K718 PolarHBondContact O-N 3.17Å; L715-K718 VanDerWaalsContact O-N 3.16Å
719E80.4Confident78.5Confident68 Ų6849 Ų4932%0.31824%0.237SC..Hα-helixtrans-93.1-8.4-176.1-62.8-168.5164.400114.1K119 L715 K721K119-E719 IonicContact NZ-OE1 2.82Å; K119-E719 PolarHBondContact NZ-OE1 3.47Å; K119-E719 IonicContact NZ-OE2 2.77Å; K119-E719 PolarHBondContact NZ-OE2 2.95Å; L715-E719 HydrophobicContact CD1-CG 4.02Å; L715-E719 HydrophobicContact CG-CG 4.27Å; L715-E719 WeakPolarHBondContact O-CB 3.25Å; L715-E719 PolarHBondContact O-N 3.38Å; E719-K721 HydrophobicContact CB-CB 4.45Å; E719-K721 PolarHBondContact O-N 2.98Å; E719-K721 VanDerWaalsContact O-N 3.14Å
720E80.9Confident78.7Confident145 Ų14552.2 Ų52.268%0.67825%0.249SC*.THydrogen-bonded Turntrans51.826.5-167.9-59-170.214700113.5A716A716-E720 WeakPolarHBondContact O-CA 3.21Å; A716-E720 PolarHBondContact O-N 3.36Å
721K81.3Confident79Confident110 Ų11051.9 Ų51.948%0.47825%0.248SC..SBendtrans-145.7140.6-175.9-68.7-178.5-175.9175.10111.3A716 E719 S723 L727A716-K721 VanDerWaalsContact CA-O 3.28Å; A716-K721 WeakPolarHBondContact CA-O 3.3Å; A716-K721 WeakPolarHBondContact CB-O 3.37Å; A716-K721 PolarHBondContact O-N 2.95Å; E719-K721 HydrophobicContact CB-CB 4.45Å; E719-K721 PolarHBondContact O-N 2.98Å; E719-K721 VanDerWaalsContact O-N 3.14Å; K721-S723 PolarHBondContact O-N 2.96Å; K721-L727 CarbonylContact C-O 3.21Å; K721-L727 WeakPolarHBondContact CA-O 3.4Å
722D79.2Confident79.4Confident10 Ų1055.2 Ų55.25%0.05326%0.263CS..  trans-65.5123.5173.7-176.660.6000110.6I724 T725 G726 L727 T731D722-I724 PolarHBondContact O-N 2.96Å; D722-I724 WeakPolarHBondContact OD2-CB 3.12Å; D722-T725 WeakPolarHBondContact OD2-CB 3.31Å; D722-T725 PolarHBondContact OD2-N 3.02Å; D722-T725 PolarHBondContact OD2-OG1 3.39Å; D722-G726 WeakPolarHBondContact O-CA 3.41Å; D722-G726 PolarHBondContact O-N 3.48Å; D722-L727 WeakPolarHBondContact CB-O 3.33Å; D722-L727 PolarHBondContact N-O 2.85Å; D722-T731 PolarHBondContact OD1-N 2.9Å; D722-T731 VanDerWaalsContact OD1-N 3.09Å; D722-T731 WeakPolarHBondContact OD2-CB 3.29Å; D722-T731 PolarHBondContact OD2-OG1 3.03Å
723S74.8Confident79.5Confident22 Ų2256 Ų5615%0.15427%0.269CS..THydrogen-bonded Turntrans-70.6-16.9-178.8-41.30000113.3L115 L715 K721L115-S723 WeakPolarHBondContact CD2-O 3.41Å; L715-S723 WeakPolarHBondContact CD2-OG 3.39Å; K721-S723 PolarHBondContact O-N 2.96Å
724I73.4Confident79.5Confident16 Ų1654.6 Ų54.68%0.08226%0.263CS..THydrogen-bonded Turntrans-82.3-47.4179.9-60.9169.4000111I113 Q661 M694 L712 D722 T731I113-I724 HydrophobicContact CD1-CD1 4.05Å; I113-I724 HydrophobicContact CD1-CG1 4.5Å; I113-I724 HydrophobicContact CG2-CG1 4.44Å; Q661-I724 HydrophobicContact CB-CG2 4.44Å; Q661-I724 HydrophobicContact CG-CG2 3.78Å; Q661-I724 PolarHBondContact NE2-O 3.42Å; M694-I724 HydrophobicContact CE-CD1 4.04Å; M694-I724 HydrophobicContact CE-CG2 4.29Å; L712-I724 HydrophobicContact CD1-CD1 4.33Å; L712-I724 HydrophobicContact CD2-CG1 4.46Å; D722-I724 PolarHBondContact O-N 2.96Å; D722-I724 WeakPolarHBondContact OD2-CB 3.12Å; I724-T731 HydrophobicContact CD1-CG2 4.34Å; I724-T731 HydrophobicContact CG2-CG2 4.47Å
725T75.8Confident79.5Confident13 Ų1363 Ų638%0.0829%0.293CS..THydrogen-bonded Turntrans-111.1-16.6-174.661.30000114.5F664 V668 D722 L727 T731F664-T725 HydrophobicContact CB-CG2 4.23Å; F664-T725 HydrophobicContact CD1-CG2 4.42Å; F664-T725 HydrophobicContact CG-CG2 4.21Å; V668-T725 WeakPolarHBondContact CG1-O 3.42Å; V668-T725 HydrophobicContact CG2-CG2 4.37Å; D722-T725 WeakPolarHBondContact OD2-CB 3.31Å; D722-T725 PolarHBondContact OD2-N 3.02Å; D722-T725 PolarHBondContact OD2-OG1 3.39Å; T725-L727 PolarHBondContact O-N 3.39Å; T725-T731 VanDerWaalsContact CG2-OG1 3.26Å; T725-T731 WeakPolarHBondContact CG2-OG1 3.33Å
726G73.8Confident80Confident36 Ų3663.3 Ų63.337%0.37130%0.295SS..  trans74.45.7-17400000114.7D722D722-G726 WeakPolarHBondContact O-CA 3.41Å; D722-G726 PolarHBondContact O-N 3.48Å
727L80.3Confident80.3Confident0 Ų068.6 Ų68.60%032%0.315CS..SBendtrans-82.1155.1175.2-61.2173.4000110.3L671 T672 E675 M692 K721 D722 T725 T729L671-L727 HydrophobicContact CB-CD1 3.91Å; L671-L727 HydrophobicContact CB-CD2 3.74Å; L671-L727 HydrophobicContact CB-CG 4.5Å; L671-L727 HydrophobicContact CD1-CD1 3.89Å; T672-L727 VanDerWaalsContact N-CD2 3.32Å; T672-L727 WeakPolarHBondContact OG1-CD2 3.49Å; E675-L727 WeakPolarHBondContact OE2-CA 3.46Å; M692-L727 HydrophobicContact CE-CD1 4.47Å; K721-L727 CarbonylContact C-O 3.21Å; K721-L727 WeakPolarHBondContact CA-O 3.4Å; D722-L727 WeakPolarHBondContact CB-O 3.33Å; D722-L727 PolarHBondContact N-O 2.85Å; T725-L727 PolarHBondContact O-N 3.39Å; L727-T729 PolarHBondContact O-N 3.36Å
728R77.8Confident80.7Confident149 Ų14961.2 Ų61.256%0.56228%0.282SS*.SBendtrans-65.6-30.2168.9-56.5179.6164.6-177.7-4.8110.9E675 R730E675-R728 VanDerWaalsContact CD-N 3.28Å; E675-R728 HydrophobicContact CG-CB 4.43Å; E675-R728 HydrophobicContact CG-CG 4.42Å; E675-R728 WeakPolarHBondContact OE1-CA 3.35Å; E675-R728 VanDerWaalsContact OE1-CB 3.27Å; E675-R728 WeakPolarHBondContact OE1-CB 3.38Å; E675-R728 PolarHBondContact OE1-N 2.95Å; E675-R728 PolarHBondContact OE2-N 3.49Å; R728-R730 PolarHBondContact O-N 2.94Å
729T79Confident81.1Confident26 Ų2660.8 Ų60.816%0.1628%0.282CS..SBendtrans-73.9122.2175.6-53.30000111.8E675 M690 M692 L727E675-T729 PolarHBondContact OE1-N 3.15Å; E675-T729 PolarHBondContact OE1-OG1 3.26Å; M690-T729 HydrophobicContact CB-CG2 4.16Å; M690-T729 WeakPolarHBondContact O-CG2 3.45Å; M692-T729 HydrophobicContact CE-CG2 3.3Å; L727-T729 PolarHBondContact O-N 3.36Å
730R81.1Confident81.6Confident82 Ų8264.1 Ų64.131%0.30930%0.295SS..PPolyproline II helixtrans-67.4139.3-178.8-175.6-179.3167.7-179.34.2113.4D713 R728D713-R730 IonicContact OD1-CZ 3.7Å; D713-R730 IonicContact OD1-NE 3.63Å; D713-R730 PolarHBondContact OD1-NE 2.79Å; D713-R730 VanDerWaalsContact OD1-NE 3.1Å; D713-R730 IonicContact OD1-NH1 2.69Å; D713-R730 PolarHBondContact OD1-NH1 2.92Å; D713-R730 IonicContact OD1-NH2 2.92Å; D713-R730 PolarHBondContact OD1-NH2 3.19Å; D713-R730 IonicContact OD2-CZ 3.5Å; D713-R730 IonicContact OD2-NH1 3.66Å; D713-R730 PolarHBondContact OD2-NH1 3.44Å; D713-R730 IonicContact OD2-NH2 3.18Å; D713-R730 PolarHBondContact OD2-NH2 3.1Å; R728-R730 PolarHBondContact O-N 2.94Å
731T84Confident82.1Confident3 Ų358.2 Ų58.22%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-80.3124.7168.9-59.20000110.9M692 M694 D722 I724 T725M692-T731 HydrophobicContact CB-CG2 4.22Å; M694-T731 HydrophobicContact CB-CG2 4.03Å; D722-T731 PolarHBondContact OD1-N 2.9Å; D722-T731 VanDerWaalsContact OD1-N 3.09Å; D722-T731 WeakPolarHBondContact OD2-CB 3.29Å; D722-T731 PolarHBondContact OD2-OG1 3.03Å; I724-T731 HydrophobicContact CD1-CG2 4.34Å; I724-T731 HydrophobicContact CG2-CG2 4.47Å; T725-T731 VanDerWaalsContact CG2-OG1 3.26Å; T725-T731 WeakPolarHBondContact CG2-OG1 3.33Å
732Q84.3Confident82.7Confident70 Ų7053 Ų5333%0.32725%0.246SC..EExtended strand (participates in β ladder)trans-88.8124.7178.4-66.217648.200110.5M692 Y693 M694M692-Q732 PolarHBondContact O-N 3.42Å; Y693-Q732 WeakPolarHBondContact CA-O 3.39Å; Y693-Q732 HydrophobicContact CD1-CB 3.67Å; Y693-Q732 HydrophobicContact CE1-CB 3.63Å; Y693-Q732 HydrophobicContact CE1-CG 4.2Å; Y693-Q732 HydrophobicContact CG-CB 4.42Å; Y693-Q732 PolarHBondContact OH-NE2 3.44Å; Y693-Q732 PolarHBondContact OH-OE1 2.91Å; M694-Q732 PolarHBondContact N-O 3.45Å
733P78.2Confident83.4Confident25 Ų2556.8 Ų56.816%0.16226%0.264CS..EExtended strand (participates in β ladder)trans-74.2146.7176.531.8-36.7000111.5A697 L698 K700A697-P733 HydrophobicContact CB-CB 3.69Å; L698-P733 VanDerWaalsContact O-CB 3.31Å; L698-P733 WeakPolarHBondContact O-CB 3.4Å; K700-P733 HydrophobicContact CG-CG 4.35Å
734G78.7Confident84.2Confident9 Ų959.9 Ų59.99%0.09327%0.274CS..SBendtrans81.8-162.6177.900000114.2M694M694-G734 PolarHBondContact O-N 3.18Å
735R82.4Confident85.1Confident207 Ų20759.3 Ų59.378%0.78127%0.272SS*.  trans-91.7143.7-175.9-64.3-177.7-177.5-154.53111T695 K737T695-R735 HydrophobicContact CG2-CG 3.9Å; R735-K737 PolarHBondContact O-N 3.41Å
736P88.8Confident85.8Confident11 Ų1161.5 Ų61.57%0.07129%0.287CS..  trans-58.5129174.3-15.423000111.5I657 Y693 W738I657-P736 HydrophobicContact CD1-CG 3.84Å; I657-P736 HydrophobicContact CG1-CG 4.07Å; Y693-P736 HydrophobicContact CD1-CB 4.11Å; Y693-P736 HydrophobicContact CD1-CG 3.71Å; Y693-P736 HydrophobicContact CD2-CB 4.37Å; Y693-P736 HydrophobicContact CD2-CG 3.72Å; Y693-P736 HydrophobicContact CE1-CB 3.85Å; Y693-P736 HydrophobicContact CE1-CG 3.97Å; Y693-P736 HydrophobicContact CE2-CB 4.09Å; Y693-P736 HydrophobicContact CE2-CG 3.94Å; Y693-P736 HydrophobicContact CG-CB 4.37Å; Y693-P736 HydrophobicContact CG-CG 3.59Å; P736-W738 VanDerWaalsContact C-N 3.27Å; P736-W738 HydrophobicContact CB-CD2 4.14Å; P736-W738 HydrophobicContact CB-CE3 4.3Å; P736-W738 HydrophobicContact CB-CH2 4.22Å; P736-W738 HydrophobicContact CB-CZ2 4.05Å; P736-W738 HydrophobicContact CB-CZ3 4.34Å; P736-W738 HydrophobicContact CG-CH2 4.07Å; P736-W738 HydrophobicContact CG-CZ2 3.8Å; P736-W738 PolarHBondContact O-N 2.94Å
737K88.5Confident86.6Confident131 Ų13166.1 Ų66.157%0.5730%0.299SS*.  trans-76.182.8167.8-68.2-179.1-178.9175.50108.3R735 E739 K740 V741R735-K737 PolarHBondContact O-N 3.41Å; K737-E739 PolarHBondContact O-N 3.47Å; K737-E739 VanDerWaalsContact O-N 3.09Å; K737-K740 HydrophobicContact CB-CB 4.38Å; K737-K740 HydrophobicContact CB-CD 4.49Å; K737-K740 HydrophobicContact CB-CG 4.39Å; K737-K740 HydrophobicContact CD-CD 4.32Å; K737-K740 PolarHBondContact O-N 3.1Å; K737-V741 PolarHBondContact O-N 3.33Å; K737-V741 VanDerWaalsContact O-N 3.09Å
738W91.3Very high86.8Confident24 Ų2468.2 Ų68.29%0.09131%0.309CS..Hα-helixtrans-52.8-35.1-169.1-69.7113000115.1I604 I655 I657 P736 V741 F742 L763 I767 Q770I604-W738 HydrophobicContact CD1-CH2 4.02Å; I604-W738 HydrophobicContact CD1-CZ3 3.76Å; I604-W738 HydrophobicContact CG2-CH2 3.73Å; I604-W738 HydrophobicContact CG2-CZ3 4.48Å; I655-W738 HydrophobicContact CD1-CZ3 4.18Å; I655-W738 HydrophobicContact CG2-CH2 4.27Å; I657-W738 HydrophobicContact CD1-CH2 3.69Å; I657-W738 HydrophobicContact CD1-CZ2 3.52Å; P736-W738 VanDerWaalsContact C-N 3.27Å; P736-W738 HydrophobicContact CB-CD2 4.14Å; P736-W738 HydrophobicContact CB-CE3 4.3Å; P736-W738 HydrophobicContact CB-CH2 4.22Å; P736-W738 HydrophobicContact CB-CZ2 4.05Å; P736-W738 HydrophobicContact CB-CZ3 4.34Å; P736-W738 HydrophobicContact CG-CH2 4.07Å; P736-W738 HydrophobicContact CG-CZ2 3.8Å; P736-W738 PolarHBondContact O-N 2.94Å; W738-V741 PolarHBondContact O-N 3.3Å; W738-F742 HydrophobicContact CE3-CD2 4.12Å; W738-F742 AromaticContact CE3-CE2 3.67Å; W738-F742 HydrophobicContact CE3-CE2 3.67Å; W738-F742 HydrophobicContact CZ3-CE2 4.13Å; W738-F742 WeakPolarHBondContact O-CB 3.48Å; W738-F742 VanDerWaalsContact O-CD2 3.25Å; W738-F742 WeakPolarHBondContact O-CD2 3.35Å; W738-F742 PolarHBondContact O-N 3.47Å; W738-L763 HydrophobicContact CZ2-CD1 3.82Å; W738-L763 HydrophobicContact CZ2-CD2 4.42Å; W738-I767 HydrophobicContact CD2-CG1 4.25Å; W738-I767 HydrophobicContact CE3-CG1 4.46Å; W738-I767 HydrophobicContact CH2-CD1 3.91Å; W738-I767 HydrophobicContact CH2-CG1 4.17Å; W738-I767 HydrophobicContact CZ2-CD1 3.83Å; W738-I767 HydrophobicContact CZ2-CG1 3.94Å; W738-I767 HydrophobicContact CZ3-CG1 4.43Å; W738-Q770 HydrophobicContact CB-CG 3.97Å
739E89.9Confident87.1Confident120 Ų12067.7 Ų67.756%0.56132%0.318SS*.Hα-helixtrans-62.5-49177.3-174.6166.2-164.100111.7K737 V741 F742 Q743K737-E739 PolarHBondContact O-N 3.47Å; K737-E739 VanDerWaalsContact O-N 3.09Å; E739-V741 PolarHBondContact O-N 3.28Å; E739-F742 PolarHBondContact O-N 3.38Å; E739-Q743 VanDerWaalsContact O-CB 3.24Å; E739-Q743 WeakPolarHBondContact O-CB 3.39Å; E739-Q743 PolarHBondContact O-N 2.74Å
740K89.9Confident87.4Confident138 Ų13871.2 Ų71.260%0.633%0.331SS*.Hα-helixtrans-62.5-42.1175.3-64.5-167.2176.4-164.30112K737 Q743 K744K737-K740 HydrophobicContact CB-CB 4.38Å; K737-K740 HydrophobicContact CB-CD 4.49Å; K737-K740 HydrophobicContact CB-CG 4.39Å; K737-K740 HydrophobicContact CD-CD 4.32Å; K737-K740 PolarHBondContact O-N 3.1Å; K740-Q743 PolarHBondContact O-N 2.89Å; K740-K744 PolarHBondContact O-N 2.99Å
741V92.8Very high87.6Confident21 Ų2168.7 Ų68.713%0.12733%0.33CS..Hα-helixtrans-61.8-47.7178.51750000110.7I655 K737 W738 E739 K744 L745I655-V741 HydrophobicContact CD1-CG1 3.83Å; K737-V741 PolarHBondContact O-N 3.33Å; K737-V741 VanDerWaalsContact O-N 3.09Å; W738-V741 PolarHBondContact O-N 3.3Å; E739-V741 PolarHBondContact O-N 3.28Å; V741-K744 PolarHBondContact O-N 2.83Å; V741-L745 HydrophobicContact CG1-CD1 4.16Å; V741-L745 VanDerWaalsContact O-CG 3.29Å; V741-L745 WeakPolarHBondContact O-CG 3.37Å; V741-L745 PolarHBondContact O-N 3.21Å; V741-L745 VanDerWaalsContact O-N 3.08Å
742F93.8Very high87.8Confident0 Ų075.8 Ų75.80%036%0.361CS..Hα-helixtrans-71.9-33.1-178.3-84.8-124.8000112.5I604 W738 E739 L745 S746 V755 I767 Q770 C771 F774 F776I604-F742 HydrophobicContact CD1-CE2 4.45Å; W738-F742 HydrophobicContact CE3-CD2 4.12Å; W738-F742 AromaticContact CE3-CE2 3.67Å; W738-F742 HydrophobicContact CE3-CE2 3.67Å; W738-F742 HydrophobicContact CZ3-CE2 4.13Å; W738-F742 WeakPolarHBondContact O-CB 3.48Å; W738-F742 VanDerWaalsContact O-CD2 3.25Å; W738-F742 WeakPolarHBondContact O-CD2 3.35Å; W738-F742 PolarHBondContact O-N 3.47Å; E739-F742 PolarHBondContact O-N 3.38Å; F742-L745 HydrophobicContact CD2-CD1 4.46Å; F742-L745 PolarHBondContact O-N 2.9Å; F742-S746 PolarHBondContact O-N 3.44Å; F742-V755 HydrophobicContact CE1-CG2 4.21Å; F742-V755 HydrophobicContact CZ-CG1 4.41Å; F742-V755 HydrophobicContact CZ-CG2 4.19Å; F742-I767 HydrophobicContact CZ-CG2 4.01Å; F742-Q770 HydrophobicContact CD1-CB 3.85Å; F742-Q770 HydrophobicContact CE1-CB 3.89Å; F742-Q770 HydrophobicContact CG-CB 4.21Å; F742-Q770 HydrophobicContact CZ-CB 4.28Å; F742-C771 HydrophobicContact CE1-CB 4.45Å; F742-C771 VanDerWaalsContact CE1-SG 3.58Å; F742-F774 HydrophobicContact CB-CD2 3.53Å; F742-F774 HydrophobicContact CB-CE1 4.46Å; F742-F774 HydrophobicContact CB-CE2 3.42Å; F742-F774 VanDerWaalsContact CB-CE2 3.42Å; F742-F774 HydrophobicContact CB-CG 4.12Å; F742-F774 HydrophobicContact CB-CZ 3.93Å; F742-F774 AromaticContact CD1-CD2 3.89Å; F742-F774 HydrophobicContact CD1-CD2 3.89Å; F742-F774 HydrophobicContact CD1-CG 4.43Å; F742-F774 HydrophobicContact CG-CD2 4.16Å; F742-F774 HydrophobicContact CG-CE2 4.37Å; F742-F776 HydrophobicContact CB-CE2 4.34Å; F742-F776 AromaticContact CD1-CD2 3.55Å; F742-F776 HydrophobicContact CD1-CD2 3.55Å; F742-F776 AromaticContact CD1-CE2 3.63Å; F742-F776 HydrophobicContact CD1-CE2 3.63Å; F742-F776 AromaticContact CE1-CD2 3.7Å; F742-F776 HydrophobicContact CE1-CD2 3.7Å; F742-F776 HydrophobicContact CE1-CE2 4.2Å; F742-F776 HydrophobicContact CG-CE2 4.23Å
743Q93.1Very high88.1Confident90 Ų9073 Ų7342%0.42135%0.349SS..Hα-helixtrans-60.3-50.8171.4178.9175.2-0.500110.9E739 K740 L745 S746 E747 F774E739-Q743 VanDerWaalsContact O-CB 3.24Å; E739-Q743 WeakPolarHBondContact O-CB 3.39Å; E739-Q743 PolarHBondContact O-N 2.74Å; K740-Q743 PolarHBondContact O-N 2.89Å; Q743-L745 VanDerWaalsContact C-N 3.32Å; Q743-L745 PolarHBondContact O-N 3.46Å; Q743-S746 WeakPolarHBondContact O-CB 3.5Å; Q743-S746 PolarHBondContact O-N 3.01Å; Q743-E747 HydrophobicContact CG-CG 4.48Å; Q743-E747 WeakPolarHBondContact CG-OE1 3.27Å; Q743-E747 PolarHBondContact NE2-OE1 3.43Å; Q743-E747 WeakPolarHBondContact O-CG 3.21Å; Q743-E747 PolarHBondContact O-N 2.99Å; Q743-F774 HydrophobicContact CB-CE1 4.22Å; Q743-F774 HydrophobicContact CB-CZ 4.22Å
744K92Very high88.8Confident86 Ų8673.1 Ų73.137%0.37435%0.347SS..Hα-helixtrans-54.4-48.5175.1-175.3-169.1173.7-1570111.3E689 K740 V741 S746 E747 E748E689-K744 IonicContact OE1-NZ 3.83Å; E689-K744 PolarHBondContact OE1-NZ 3.49Å; E689-K744 IonicContact OE2-NZ 3.7Å; K740-K744 PolarHBondContact O-N 2.99Å; V741-K744 PolarHBondContact O-N 2.83Å; K744-S746 VanDerWaalsContact C-N 3.25Å; K744-S746 PolarHBondContact O-N 3.24Å; K744-E747 PolarHBondContact O-N 3.28Å; K744-E747 VanDerWaalsContact O-N 3.1Å; K744-E748 VanDerWaalsContact CE-OE1 3.24Å; K744-E748 WeakPolarHBondContact CE-OE1 3.38Å; K744-E748 IonicContact NZ-OE1 3.21Å; K744-E748 WeakPolarHBondContact O-CG 3.44Å; K744-E748 PolarHBondContact O-N 3.42Å; K744-E748 VanDerWaalsContact O-N 3.08Å
745L91.8Very high89.5Confident5 Ų572.7 Ų72.73%0.02634%0.343CS..Hα-helixtrans-59.5-35.6178.4-69.6168.6000112.8V602 D653 V741 F742 Q743 F776V602-L745 HydrophobicContact CG1-CD1 4.06Å; V602-L745 HydrophobicContact CG2-CD1 3.89Å; V602-L745 HydrophobicContact CG2-CD2 4.06Å; D653-L745 HydrophobicContact CB-CD2 3.98Å; D653-L745 VanDerWaalsContact CG-CD2 3.47Å; V741-L745 HydrophobicContact CG1-CD1 4.16Å; V741-L745 VanDerWaalsContact O-CG 3.29Å; V741-L745 WeakPolarHBondContact O-CG 3.37Å; V741-L745 PolarHBondContact O-N 3.21Å; V741-L745 VanDerWaalsContact O-N 3.08Å; F742-L745 HydrophobicContact CD2-CD1 4.46Å; F742-L745 PolarHBondContact O-N 2.9Å; Q743-L745 VanDerWaalsContact C-N 3.32Å; Q743-L745 PolarHBondContact O-N 3.46Å; L745-F776 HydrophobicContact CB-CE2 4.36Å
746S89.6Confident90Very high59 Ų5962.9 Ų62.941%0.41331%0.305SS..Hα-helixtrans-71.1-37.6175.9-168.80000112.4F742 Q743 K744F742-S746 PolarHBondContact O-N 3.44Å; Q743-S746 WeakPolarHBondContact O-CB 3.5Å; Q743-S746 PolarHBondContact O-N 3.01Å; K744-S746 VanDerWaalsContact C-N 3.25Å; K744-S746 PolarHBondContact O-N 3.24Å
747E91.4Very high90.1Very high133 Ų13362.3 Ų62.362%0.62130%0.302SS*.Hα-helixtrans-71.6-31.7-178-72.2168.6-177.800112.3Q743 K744 N749Q743-E747 HydrophobicContact CG-CG 4.48Å; Q743-E747 WeakPolarHBondContact CG-OE1 3.27Å; Q743-E747 PolarHBondContact NE2-OE1 3.43Å; Q743-E747 WeakPolarHBondContact O-CG 3.21Å; Q743-E747 PolarHBondContact O-N 2.99Å; K744-E747 PolarHBondContact O-N 3.28Å; K744-E747 VanDerWaalsContact O-N 3.1Å; E747-N749 PolarHBondContact O-N 2.87Å
748E85.5Confident90.1Very high43 Ų4356.2 Ų56.220%0.20128%0.276CS..THydrogen-bonded Turntrans-65.4-21.3178.3-72.6175.917800114.5H600 K651 K744 K750H600-E748 IonicContact CE1-OE2 3.83Å; K651-E748 WeakPolarHBondContact CE-OE2 3.15Å; K651-E748 IonicContact NZ-OE1 2.99Å; K651-E748 PolarHBondContact NZ-OE1 2.68Å; K651-E748 IonicContact NZ-OE2 3.89Å; K651-E748 PolarHBondContact NZ-OE2 3.32Å; K744-E748 VanDerWaalsContact CE-OE1 3.24Å; K744-E748 WeakPolarHBondContact CE-OE1 3.38Å; K744-E748 IonicContact NZ-OE1 3.21Å; K744-E748 WeakPolarHBondContact O-CG 3.44Å; K744-E748 PolarHBondContact O-N 3.42Å; K744-E748 VanDerWaalsContact O-N 3.08Å; E748-K750 VanDerWaalsContact C-N 3.35Å; E748-K750 HydrophobicContact CB-CG 4.23Å; E748-K750 PolarHBondContact O-N 3.15Å
749N83.2Confident90Very high139 Ų13956.2 Ų56.274%0.74328%0.283SS*.  trans47.346.9172.4-160.815.9000115E747 G751E747-N749 PolarHBondContact O-N 2.87Å; N749-G751 VanDerWaalsContact C-N 3.28Å; N749-G751 PolarHBondContact O-N 3.03Å
750K84.5Confident89.6Confident100 Ų10053.1 Ų53.144%0.43528%0.278SS..  trans-87.817.5-178.6-58.5-61.9-176.7174.80114.5H600 K651 E748H600-K750 HydrophobicContact CB-CB 4.29Å; K651-K750 HydrophobicContact CB-CB 4.08Å; K651-K750 HydrophobicContact CB-CG 4.11Å; K651-K750 HydrophobicContact CD-CG 3.9Å; E748-K750 VanDerWaalsContact C-N 3.35Å; E748-K750 HydrophobicContact CB-CG 4.23Å; E748-K750 PolarHBondContact O-N 3.15Å
751G85.6Confident89Confident29 Ų2949.9 Ų49.930%0.29927%0.271SS..SBendtrans110.1-164.1-179.400000112.9E599 N749 V753E599-G751 VanDerWaalsContact OE2-CA 3.28Å; E599-G751 WeakPolarHBondContact OE2-CA 3.42Å; N749-G751 VanDerWaalsContact C-N 3.28Å; N749-G751 PolarHBondContact O-N 3.03Å; G751-V753 PolarHBondContact O-N 3.05Å
752K87.9Confident88.4Confident151 Ų15152.3 Ų52.366%0.65729%0.293SS*.SBendtrans-69.3116.2-179.4-70.5-177.2-176.9176.30111.4E599 H754E599-K752 PolarHBondContact OE2-N 3.2Å; K752-H754 PolarHBondContact O-N 3.49Å
753V92.1Very high88Confident13 Ų1354 Ų548%0.07930%0.302CS..EExtended strand (participates in β ladder)trans-76.6120.6-178.6-172.90000111.6H600 V602 G751 V755 F776 N777H600-V753 HydrophobicContact CB-CG2 4.44Å; V602-V753 HydrophobicContact CG2-CG1 3.67Å; G751-V753 PolarHBondContact O-N 3.05Å; V753-V755 HydrophobicContact CG1-CG2 4.21Å; V753-F776 HydrophobicContact CB-CB 4.4Å; V753-F776 HydrophobicContact CB-CD1 3.66Å; V753-F776 HydrophobicContact CB-CD2 4.17Å; V753-F776 HydrophobicContact CB-CE1 3.86Å; V753-F776 HydrophobicContact CB-CE2 4.36Å; V753-F776 HydrophobicContact CB-CG 3.83Å; V753-F776 HydrophobicContact CB-CZ 4.2Å; V753-F776 HydrophobicContact CG1-CB 4.42Å; V753-F776 HydrophobicContact CG1-CD1 4.2Å; V753-F776 HydrophobicContact CG1-CD2 3.77Å; V753-F776 HydrophobicContact CG1-CE1 4.39Å; V753-F776 HydrophobicContact CG1-CE2 3.99Å; V753-F776 HydrophobicContact CG1-CG 3.89Å; V753-F776 HydrophobicContact CG1-CZ 4.29Å; V753-F776 HydrophobicContact CG2-CD1 4.08Å; V753-F776 HydrophobicContact CG2-CE1 3.75Å; V753-F776 HydrophobicContact CG2-CZ 3.98Å; V753-N777 PolarHBondContact O-N 3.34Å
754H91.9Very high87.6Confident27 Ų2750 Ų5013%0.12529%0.285CS..EExtended strand (participates in β ladder)trans-114.9117.1173.5-70.5-175.8000109.9S598 H600 V602 K752 F756 N777 Y779S598-H754 WeakPolarHBondContact CB-ND1 3.33Å; S598-H754 PolarHBondContact OG-ND1 2.92Å; H600-H754 PolarHBondContact O-N 3.5Å; V602-H754 PolarHBondContact N-O 3.48Å; K752-H754 PolarHBondContact O-N 3.49Å; H754-F756 HydrophobicContact CB-CD2 4.47Å; H754-F756 HydrophobicContact CB-CE2 3.61Å; H754-F756 HydrophobicContact CB-CZ 4.05Å; H754-F756 WeakPolarHBondContact O-CD2 3.18Å; H754-N777 PolarHBondContact CD2-ND2 2.91Å; H754-N777 VanDerWaalsContact CD2-ND2 3.29Å; H754-N777 PolarHBondContact NE2-ND2 2.86Å; H754-Y779 HydrophobicContact CB-CD2 4.49Å; H754-Y779 HydrophobicContact CB-CE2 4.01Å; H754-Y779 AromaticContact CG-CE2 3.95Å
755V93.3Very high87.2Confident0 Ų052.8 Ų52.80%030%0.297CS..EExtended strand (participates in β ladder)trans-97.3117.9-179.4-1760000109.7V602 I604 F742 V753 I767 F776 N777 F778 Y779V602-V755 HydrophobicContact CB-CG2 4.14Å; V602-V755 HydrophobicContact CG2-CG2 4.46Å; V602-V755 CarbonylContact O-C 3.51Å; V602-V755 WeakPolarHBondContact O-CA 3.32Å; I604-V755 HydrophobicContact CD1-CG1 3.58Å; I604-V755 HydrophobicContact CG1-CG1 4.24Å; F742-V755 HydrophobicContact CE1-CG2 4.21Å; F742-V755 HydrophobicContact CZ-CG1 4.41Å; F742-V755 HydrophobicContact CZ-CG2 4.19Å; V753-V755 HydrophobicContact CG1-CG2 4.21Å; V755-I767 HydrophobicContact CG1-CG2 3.96Å; V755-F776 HydrophobicContact CG2-CB 4.16Å; V755-F776 HydrophobicContact CG2-CD2 4.17Å; V755-N777 PolarHBondContact N-O 3.34Å; V755-F778 HydrophobicContact CB-CD2 4.43Å; V755-F778 HydrophobicContact CG1-CD2 4.25Å; V755-Y779 PolarHBondContact O-N 3.4Å
756F92.5Very high87.1Confident0 Ų055.8 Ų55.80%032%0.315CS..EExtended strand (participates in β ladder)trans-105.5122.8175.2-60.8-90.9000108.9T592 I595 A601 V602 L603 I604 F613 H754 Y779T592-F756 HydrophobicContact CG2-CD1 4.21Å; I595-F756 HydrophobicContact CB-CE2 4.32Å; I595-F756 HydrophobicContact CB-CZ 4.28Å; I595-F756 HydrophobicContact CD1-CD1 4.34Å; I595-F756 HydrophobicContact CD1-CD2 4.18Å; I595-F756 HydrophobicContact CD1-CE2 4.5Å; I595-F756 HydrophobicContact CD1-CG 4.1Å; I595-F756 HydrophobicContact CG1-CD1 3.81Å; I595-F756 HydrophobicContact CG1-CD2 3.56Å; I595-F756 HydrophobicContact CG1-CE1 3.69Å; I595-F756 HydrophobicContact CG1-CE2 3.42Å; I595-F756 VanDerWaalsContact CG1-CE2 3.42Å; I595-F756 HydrophobicContact CG1-CG 3.75Å; I595-F756 HydrophobicContact CG1-CZ 3.49Å; I595-F756 VanDerWaalsContact CG1-CZ 3.49Å; A601-F756 HydrophobicContact CB-CE2 4.32Å; V602-F756 PolarHBondContact O-N 3.41Å; L603-F756 HydrophobicContact CD2-CB 4.02Å; L603-F756 HydrophobicContact CD2-CD2 3.91Å; L603-F756 HydrophobicContact CD2-CG 4.24Å; I604-F756 PolarHBondContact N-O 2.99Å; F613-F756 HydrophobicContact CE1-CB 3.93Å; F613-F756 HydrophobicContact CZ-CB 4.05Å; H754-F756 HydrophobicContact CB-CD2 4.47Å; H754-F756 HydrophobicContact CB-CE2 3.61Å; H754-F756 HydrophobicContact CB-CZ 4.05Å; H754-F756 WeakPolarHBondContact O-CD2 3.18Å; F756-Y779 WeakPolarHBondContact CA-O 3.38Å; F756-Y779 HydrophobicContact CD1-CD2 4.01Å; F756-Y779 AromaticContact CD1-CG 4Å; F756-Y779 HydrophobicContact CD1-CG 4Å; F756-Y779 HydrophobicContact CE1-CD1 4.48Å; F756-Y779 AromaticContact CE1-CD2 3.61Å; F756-Y779 HydrophobicContact CE1-CD2 3.61Å; F756-Y779 HydrophobicContact CE1-CE2 4.26Å; F756-Y779 AromaticContact CE1-CG 3.75Å; F756-Y779 HydrophobicContact CE1-CG 3.75Å; F756-Y779 HydrophobicContact CE2-CD2 4.42Å; F756-Y779 AromaticContact CZ-CD2 3.85Å; F756-Y779 HydrophobicContact CZ-CD2 3.85Å; F756-Y779 HydrophobicContact CZ-CE2 4.15Å; F756-Y779 HydrophobicContact CZ-CG 4.43Å
757Y91.9Very high87.1Confident0 Ų053 Ų530%030%0.295CS..EExtended strand (participates in β ladder)trans-122.8131.8-175.8175.6-96.6000112.2I604 G759 A760 L763 A764 I767 F778 Y779 K780 E781I604-Y757 HydrophobicContact CB-CD2 3.9Å; I604-Y757 HydrophobicContact CG2-CD2 3.72Å; I604-Y757 HydrophobicContact CG2-CE2 4.05Å; I604-Y757 WeakPolarHBondContact O-CA 3.47Å; I604-Y757 WeakPolarHBondContact O-CD2 3.31Å; Y757-G759 WeakPolarHBondContact OH-CA 3.23Å; Y757-A760 PolarHBondContact OH-N 3.47Å; Y757-A760 PolarHBondContact OH-O 2.83Å; Y757-L763 HydrophobicContact CE2-CD2 3.9Å; Y757-L763 HydrophobicContact CE2-CG 3.97Å; Y757-L763 WeakPolarHBondContact OH-CB 3.28Å; Y757-A764 HydrophobicContact CD1-CB 3.67Å; Y757-A764 HydrophobicContact CE1-CB 3.45Å; Y757-A764 VanDerWaalsContact CE1-CB 3.45Å; Y757-I767 HydrophobicContact CD2-CD1 3.27Å; Y757-I767 HydrophobicContact CE2-CD1 3.4Å; Y757-I767 VanDerWaalsContact CE2-CD1 3.4Å; Y757-I767 HydrophobicContact CG-CD1 4.13Å; Y757-F778 HydrophobicContact CD1-CZ 4.32Å; Y757-F778 HydrophobicContact CG-CE2 4.25Å; Y757-F778 HydrophobicContact CG-CZ 4.32Å; Y757-Y779 PolarHBondContact N-O 3.1Å; Y757-K780 HydrophobicContact CD1-CG 4.34Å; Y757-E781 PolarHBondContact O-N 3.16Å
758C89.2Confident87Confident3 Ų348.9 Ų48.92%0.0228%0.276CS..EExtended strand (participates in β ladder)trans-133.1115.5172-172.80000111I604 G605 A606 G609 P612 F613 E781I604-C758 PolarHBondContact O-N 3.03Å; G605-C758 WeakPolarHBondContact CA-O 2.97Å; A606-C758 PolarHBondContact N-O 3.47Å; G609-C758 WeakPolarHBondContact CA-SG 3.32Å; G609-C758 WeakPolarHBondContact O-CB 3.2Å; G609-C758 PolarHBondContact O-SG 3.39Å; P612-C758 HydrophobicContact CG-CB 4.24Å; F613-C758 HydrophobicContact CE2-CB 3.86Å; F613-C758 HydrophobicContact CZ-CB 4.24Å; C758-E781 HydrophobicContact CB-CB 4.14Å
759G87.1Confident87Confident24 Ų2448.8 Ų48.825%0.24728%0.282CS..SBendtrans160.8-157.4-178.500000115.3Y757Y757-G759 WeakPolarHBondContact OH-CA 3.23Å
760A82.3Confident87.3Confident55 Ų5544.1 Ų44.146%0.45526%0.256SS..  trans-57134.1-175.900000113.6Y757 A762 L763 A764Y757-A760 PolarHBondContact OH-N 3.47Å; Y757-A760 PolarHBondContact OH-O 2.83Å; A760-A762 PolarHBondContact O-N 3.25Å; A760-A762 VanDerWaalsContact O-N 3.15Å; A760-L763 PolarHBondContact O-N 3.43Å; A760-A764 PolarHBondContact O-N 3.17Å; A760-A764 VanDerWaalsContact O-N 3.11Å
761P78.3Confident87.6Confident70 Ų7039.4 Ų39.446%0.45524%0.235SC..Hα-helixtrans-59.5-29.1-179.3-25.934000115.2A764 K765P761-A764 WeakPolarHBondContact O-CB 3.42Å; P761-K765 WeakPolarHBondContact O-CG 3.38Å; P761-K765 PolarHBondContact O-N 3.12Å
762A79.3Confident87.7Confident71 Ų7139.4 Ų39.459%0.58723%0.228SC*.Hα-helixtrans-64.8-48.4177.700000111.1A760 A764 K765A760-A762 PolarHBondContact O-N 3.25Å; A760-A762 VanDerWaalsContact O-N 3.15Å; A762-A764 VanDerWaalsContact C-N 3.34Å; A762-A764 PolarHBondContact O-N 2.96Å; A762-K765 WeakPolarHBondContact O-CB 3.45Å; A762-K765 PolarHBondContact O-N 3Å
763L84.7Confident87.6Confident37 Ų3738.6 Ų38.619%0.19423%0.226CC..Hα-helixtrans-67-36.5177.9177.960.1000111.7A606 I657 W738 Y757 A760 K765 V766 I767A606-L763 HydrophobicContact CB-CD2 4.22Å; I657-L763 HydrophobicContact CD1-CD2 3.84Å; W738-L763 HydrophobicContact CZ2-CD1 3.82Å; W738-L763 HydrophobicContact CZ2-CD2 4.42Å; Y757-L763 HydrophobicContact CE2-CD2 3.9Å; Y757-L763 HydrophobicContact CE2-CG 3.97Å; Y757-L763 WeakPolarHBondContact OH-CB 3.28Å; A760-L763 PolarHBondContact O-N 3.43Å; L763-K765 PolarHBondContact O-N 2.94Å; L763-V766 PolarHBondContact O-N 3.31Å; L763-V766 VanDerWaalsContact O-N 3.09Å; L763-I767 HydrophobicContact CD1-CD1 4.02Å; L763-I767 HydrophobicContact CD1-CG1 4.13Å; L763-I767 HydrophobicContact CD2-CD1 4.32Å; L763-I767 HydrophobicContact CG-CD1 3.75Å; L763-I767 HydrophobicContact CG-CG1 4.32Å; L763-I767 PolarHBondContact O-N 3.4Å
764A86.1Confident87.5Confident6 Ų640.5 Ų40.55%0.0523%0.233CC..Hα-helixtrans-54.6-37172.700000113Y757 A760 P761 A762 K768 F778 K780Y757-A764 HydrophobicContact CD1-CB 3.67Å; Y757-A764 HydrophobicContact CE1-CB 3.45Å; Y757-A764 VanDerWaalsContact CE1-CB 3.45Å; A760-A764 PolarHBondContact O-N 3.17Å; A760-A764 VanDerWaalsContact O-N 3.11Å; P761-A764 WeakPolarHBondContact O-CB 3.42Å; A762-A764 VanDerWaalsContact C-N 3.34Å; A762-A764 PolarHBondContact O-N 2.96Å; A764-K768 WeakPolarHBondContact O-CB 3.46Å; A764-K768 PolarHBondContact O-N 3.42Å; A764-F778 HydrophobicContact CB-CZ 4.37Å; A764-K780 HydrophobicContact CB-CD 4.02Å
765K83.8Confident87.2Confident143 Ų14342 Ų4262%0.62226%0.256SS*.Hα-helixtrans-67.6-38.5179-70.4176.9-178.4-178.70112P761 A762 L763 A769P761-K765 WeakPolarHBondContact O-CG 3.38Å; P761-K765 PolarHBondContact O-N 3.12Å; A762-K765 WeakPolarHBondContact O-CB 3.45Å; A762-K765 PolarHBondContact O-N 3Å; L763-K765 PolarHBondContact O-N 2.94Å; K765-A769 PolarHBondContact O-N 3.42Å; K765-A769 VanDerWaalsContact O-N 3.11Å
766V87.9Confident87.1Confident68 Ų6842.7 Ų42.741%0.41226%0.259SS..Hα-helixtrans-67.6-52.8178.41790000109.6L763 K768 A769 Q770L763-V766 PolarHBondContact O-N 3.31Å; L763-V766 VanDerWaalsContact O-N 3.09Å; V766-K768 VanDerWaalsContact C-N 3.3Å; V766-K768 PolarHBondContact O-N 3.37Å; V766-A769 WeakPolarHBondContact O-CB 3.43Å; V766-A769 PolarHBondContact O-N 3.48Å; V766-Q770 PolarHBondContact O-N 3.33Å
767I91.4Very high86.8Confident0 Ų045.5 Ų45.50%027%0.274CS..Hα-helixtrans-60.3-42.2178.7-65168.1000110.8I604 W738 F742 V755 Y757 L763 A769 Q770 C771 F778I604-I767 HydrophobicContact CD1-CD1 4.04Å; I604-I767 HydrophobicContact CD1-CG2 3.93Å; I604-I767 HydrophobicContact CG2-CD1 3.84Å; W738-I767 HydrophobicContact CD2-CG1 4.25Å; W738-I767 HydrophobicContact CE3-CG1 4.46Å; W738-I767 HydrophobicContact CH2-CD1 3.91Å; W738-I767 HydrophobicContact CH2-CG1 4.17Å; W738-I767 HydrophobicContact CZ2-CD1 3.83Å; W738-I767 HydrophobicContact CZ2-CG1 3.94Å; W738-I767 HydrophobicContact CZ3-CG1 4.43Å; F742-I767 HydrophobicContact CZ-CG2 4.01Å; V755-I767 HydrophobicContact CG1-CG2 3.96Å; Y757-I767 HydrophobicContact CD2-CD1 3.27Å; Y757-I767 HydrophobicContact CE2-CD1 3.4Å; Y757-I767 VanDerWaalsContact CE2-CD1 3.4Å; Y757-I767 HydrophobicContact CG-CD1 4.13Å; L763-I767 HydrophobicContact CD1-CD1 4.02Å; L763-I767 HydrophobicContact CD1-CG1 4.13Å; L763-I767 HydrophobicContact CD2-CD1 4.32Å; L763-I767 HydrophobicContact CG-CD1 3.75Å; L763-I767 HydrophobicContact CG-CG1 4.32Å; L763-I767 PolarHBondContact O-N 3.4Å; I767-A769 VanDerWaalsContact C-N 3.29Å; I767-A769 PolarHBondContact O-N 2.92Å; I767-Q770 PolarHBondContact O-N 3.17Å; I767-C771 PolarHBondContact O-N 3.33Å; I767-C771 PolarHBondContact O-SG 3.28Å; I767-F778 HydrophobicContact CB-CE2 4.21Å; I767-F778 HydrophobicContact CG2-CD2 4.01Å; I767-F778 HydrophobicContact CG2-CE2 3.63Å
768K88.1Confident86.6Confident48 Ų4847.6 Ų47.621%0.20928%0.283CS..Hα-helixtrans-60.4-39.2175.9-172.7179.2-176-176.60112.3N190 A764 V766 Q770 C771 E772 F778N190-K768 PolarHBondContact OD1-NZ 2.79Å; A764-K768 WeakPolarHBondContact O-CB 3.46Å; A764-K768 PolarHBondContact O-N 3.42Å; V766-K768 VanDerWaalsContact C-N 3.3Å; V766-K768 PolarHBondContact O-N 3.37Å; K768-Q770 VanDerWaalsContact C-N 3.34Å; K768-C771 PolarHBondContact O-N 2.79Å; K768-E772 VanDerWaalsContact CE-OE1 3.26Å; K768-E772 WeakPolarHBondContact CE-OE1 3.5Å; K768-E772 VanDerWaalsContact O-CG 3.31Å; K768-E772 WeakPolarHBondContact O-CG 3.41Å; K768-E772 PolarHBondContact O-N 3.08Å; K768-F778 HydrophobicContact CB-CD1 3.86Å; K768-F778 HydrophobicContact CB-CE1 3.82Å; K768-F778 HydrophobicContact CB-CG 4.25Å; K768-F778 HydrophobicContact CB-CZ 4.21Å; K768-F778 HydrophobicContact CD-CD1 4.05Å; K768-F778 HydrophobicContact CD-CE1 4.24Å; K768-F778 HydrophobicContact CG-CD1 3.73Å; K768-F778 HydrophobicContact CG-CE1 4.11Å; K768-F778 HydrophobicContact CG-CG 4.24Å
769A86.1Confident86.4Confident41 Ų4149.3 Ų49.334%0.33929%0.29SS..Hα-helixtrans-65.9-39.1177.200000111.5K765 V766 I767 E772 H773K765-A769 PolarHBondContact O-N 3.42Å; K765-A769 VanDerWaalsContact O-N 3.11Å; V766-A769 WeakPolarHBondContact O-CB 3.43Å; V766-A769 PolarHBondContact O-N 3.48Å; I767-A769 VanDerWaalsContact C-N 3.29Å; I767-A769 PolarHBondContact O-N 2.92Å; A769-E772 PolarHBondContact O-N 3.06Å; A769-H773 PolarHBondContact O-N 3.14Å
770Q89.9Confident86.2Confident40 Ų4051.5 Ų51.519%0.18729%0.293CS..Hα-helixtrans-66.2-43.1174.3-64.5-66.2-5.700111.7W738 F742 V766 I767 K768 E772 H773 F774W738-Q770 HydrophobicContact CB-CG 3.97Å; F742-Q770 HydrophobicContact CD1-CB 3.85Å; F742-Q770 HydrophobicContact CE1-CB 3.89Å; F742-Q770 HydrophobicContact CG-CB 4.21Å; F742-Q770 HydrophobicContact CZ-CB 4.28Å; V766-Q770 PolarHBondContact O-N 3.33Å; I767-Q770 PolarHBondContact O-N 3.17Å; K768-Q770 VanDerWaalsContact C-N 3.34Å; Q770-E772 VanDerWaalsContact C-N 3.28Å; Q770-E772 PolarHBondContact O-N 3.45Å; Q770-H773 WeakPolarHBondContact O-CB 3.47Å; Q770-H773 PolarHBondContact O-N 3.46Å; Q770-F774 WeakPolarHBondContact O-CD2 3.5Å; Q770-F774 PolarHBondContact O-N 3.19Å
771C90.5Very high85.8Confident1 Ų149.1 Ų49.11%0.00727%0.272CS..Hα-helixtrans-58.3-40.9173.1-61.40000112F742 I767 K768 H773 G775 F776 F778F742-C771 HydrophobicContact CE1-CB 4.45Å; F742-C771 VanDerWaalsContact CE1-SG 3.58Å; I767-C771 PolarHBondContact O-N 3.33Å; I767-C771 PolarHBondContact O-SG 3.28Å; K768-C771 PolarHBondContact O-N 2.79Å; C771-H773 VanDerWaalsContact C-N 3.3Å; C771-H773 PolarHBondContact O-N 3.05Å; C771-G775 CarbonylContact O-C 3.31Å; C771-G775 WeakPolarHBondContact O-CA 3.35Å; C771-G775 PolarHBondContact O-N 3Å; C771-F776 HydrophobicContact CB-CB 4.18Å; C771-F776 PolarHBondContact O-N 3.39Å; C771-F778 HydrophobicContact CB-CB 3.95Å
772E86.8Confident85.1Confident29 Ų2951.5 Ų51.514%0.13628%0.281CS..Hα-helixtrans-64.8-33.2175.8-75.1165.6177.800112.3R180 K768 A769 Q770R180-E772 IonicContact CZ-OE2 2.88Å; R180-E772 VanDerWaalsContact CZ-OE2 3.27Å; R180-E772 IonicContact NE-OE1 2.84Å; R180-E772 IonicContact NE-OE2 3.62Å; R180-E772 PolarHBondContact NE-OE2 3.31Å; R180-E772 IonicContact NH2-OE1 3.61Å; R180-E772 IonicContact NH2-OE2 3.59Å; R180-E772 PolarHBondContact NH2-OE2 2.81Å; K768-E772 VanDerWaalsContact CE-OE1 3.26Å; K768-E772 WeakPolarHBondContact CE-OE1 3.5Å; K768-E772 VanDerWaalsContact O-CG 3.31Å; K768-E772 WeakPolarHBondContact O-CG 3.41Å; K768-E772 PolarHBondContact O-N 3.08Å; A769-E772 PolarHBondContact O-N 3.06Å; Q770-E772 VanDerWaalsContact C-N 3.28Å; Q770-E772 PolarHBondContact O-N 3.45Å
773H87Confident84Confident134 Ų13454 Ų5462%0.6228%0.279SS*.Hα-helixtrans-71.4-46.6177.3-175.159.4000112.5A769 Q770 C771A769-H773 PolarHBondContact O-N 3.14Å; Q770-H773 WeakPolarHBondContact O-CB 3.47Å; Q770-H773 PolarHBondContact O-N 3.46Å; C771-H773 VanDerWaalsContact C-N 3.3Å; C771-H773 PolarHBondContact O-N 3.05Å
774F88.4Confident84Confident53 Ų5354.9 Ų54.923%0.23228%0.283CS..Hα-helixtrans-87.6-1.9-178.5-70.5-86.6000114.1F742 Q743 Q770 F776F742-F774 HydrophobicContact CB-CD2 3.53Å; F742-F774 HydrophobicContact CB-CE1 4.46Å; F742-F774 HydrophobicContact CB-CE2 3.42Å; F742-F774 VanDerWaalsContact CB-CE2 3.42Å; F742-F774 HydrophobicContact CB-CG 4.12Å; F742-F774 HydrophobicContact CB-CZ 3.93Å; F742-F774 AromaticContact CD1-CD2 3.89Å; F742-F774 HydrophobicContact CD1-CD2 3.89Å; F742-F774 HydrophobicContact CD1-CG 4.43Å; F742-F774 HydrophobicContact CG-CD2 4.16Å; F742-F774 HydrophobicContact CG-CE2 4.37Å; Q743-F774 HydrophobicContact CB-CE1 4.22Å; Q743-F774 HydrophobicContact CB-CZ 4.22Å; Q770-F774 WeakPolarHBondContact O-CD2 3.5Å; Q770-F774 PolarHBondContact O-N 3.19Å; F774-F776 HydrophobicContact CB-CD1 4.06Å; F774-F776 HydrophobicContact CB-CD2 4.04Å; F774-F776 HydrophobicContact CB-CE1 3.89Å; F774-F776 HydrophobicContact CB-CE2 3.85Å; F774-F776 HydrophobicContact CB-CG 4.15Å; F774-F776 HydrophobicContact CB-CZ 3.78Å; F774-F776 HydrophobicContact CG-CE2 4.41Å; F774-F776 HydrophobicContact CG-CZ 4.41Å; F774-F776 WeakPolarHBondContact O-CD1 3.27Å
775G86.5Confident83.9Confident59 Ų5957.4 Ų57.461%0.60830%0.295SS*.THydrogen-bonded Turntrans73.622.7-179.300000114.6C771C771-G775 CarbonylContact O-C 3.31Å; C771-G775 WeakPolarHBondContact O-CA 3.35Å; C771-G775 PolarHBondContact O-N 3Å
776F90.8Very high83.9Confident14 Ų1452.7 Ų52.76%0.06128%0.277CS..  trans-84149.3179.3-58.7-16.2000112F742 L745 V753 V755 C771 F774F742-F776 HydrophobicContact CB-CE2 4.34Å; F742-F776 AromaticContact CD1-CD2 3.55Å; F742-F776 HydrophobicContact CD1-CD2 3.55Å; F742-F776 AromaticContact CD1-CE2 3.63Å; F742-F776 HydrophobicContact CD1-CE2 3.63Å; F742-F776 AromaticContact CE1-CD2 3.7Å; F742-F776 HydrophobicContact CE1-CD2 3.7Å; F742-F776 HydrophobicContact CE1-CE2 4.2Å; F742-F776 HydrophobicContact CG-CE2 4.23Å; L745-F776 HydrophobicContact CB-CE2 4.36Å; V753-F776 HydrophobicContact CB-CB 4.4Å; V753-F776 HydrophobicContact CB-CD1 3.66Å; V753-F776 HydrophobicContact CB-CD2 4.17Å; V753-F776 HydrophobicContact CB-CE1 3.86Å; V753-F776 HydrophobicContact CB-CE2 4.36Å; V753-F776 HydrophobicContact CB-CG 3.83Å; V753-F776 HydrophobicContact CB-CZ 4.2Å; V753-F776 HydrophobicContact CG1-CB 4.42Å; V753-F776 HydrophobicContact CG1-CD1 4.2Å; V753-F776 HydrophobicContact CG1-CD2 3.77Å; V753-F776 HydrophobicContact CG1-CE1 4.39Å; V753-F776 HydrophobicContact CG1-CE2 3.99Å; V753-F776 HydrophobicContact CG1-CG 3.89Å; V753-F776 HydrophobicContact CG1-CZ 4.29Å; V753-F776 HydrophobicContact CG2-CD1 4.08Å; V753-F776 HydrophobicContact CG2-CE1 3.75Å; V753-F776 HydrophobicContact CG2-CZ 3.98Å; V755-F776 HydrophobicContact CG2-CB 4.16Å; V755-F776 HydrophobicContact CG2-CD2 4.17Å; C771-F776 HydrophobicContact CB-CB 4.18Å; C771-F776 PolarHBondContact O-N 3.39Å; F774-F776 HydrophobicContact CB-CD1 4.06Å; F774-F776 HydrophobicContact CB-CD2 4.04Å; F774-F776 HydrophobicContact CB-CE1 3.89Å; F774-F776 HydrophobicContact CB-CE2 3.85Å; F774-F776 HydrophobicContact CB-CG 4.15Å; F774-F776 HydrophobicContact CB-CZ 3.78Å; F774-F776 HydrophobicContact CG-CE2 4.41Å; F774-F776 HydrophobicContact CG-CZ 4.41Å; F774-F776 WeakPolarHBondContact O-CD1 3.27Å
777N87.5Confident83.7Confident60 Ų6051.8 Ų51.832%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-79.3129.2174.8-72.3-38.5000110.2V753 H754 V755 Y779V753-N777 PolarHBondContact O-N 3.34Å; H754-N777 PolarHBondContact CD2-ND2 2.91Å; H754-N777 VanDerWaalsContact CD2-ND2 3.29Å; H754-N777 PolarHBondContact NE2-ND2 2.86Å; V755-N777 PolarHBondContact N-O 3.34Å; N777-Y779 HydrophobicContact CB-CE2 3.72Å
778F87.7Confident83.2Confident43 Ų4355 Ų5519%0.18929%0.286CS..EExtended strand (participates in β ladder)trans-112.6123.5-177.6179.6-105.6000112.3V755 Y757 A764 I767 K768 C771 K780V755-F778 HydrophobicContact CB-CD2 4.43Å; V755-F778 HydrophobicContact CG1-CD2 4.25Å; Y757-F778 HydrophobicContact CD1-CZ 4.32Å; Y757-F778 HydrophobicContact CG-CE2 4.25Å; Y757-F778 HydrophobicContact CG-CZ 4.32Å; A764-F778 HydrophobicContact CB-CZ 4.37Å; I767-F778 HydrophobicContact CB-CE2 4.21Å; I767-F778 HydrophobicContact CG2-CD2 4.01Å; I767-F778 HydrophobicContact CG2-CE2 3.63Å; K768-F778 HydrophobicContact CB-CD1 3.86Å; K768-F778 HydrophobicContact CB-CE1 3.82Å; K768-F778 HydrophobicContact CB-CG 4.25Å; K768-F778 HydrophobicContact CB-CZ 4.21Å; K768-F778 HydrophobicContact CD-CD1 4.05Å; K768-F778 HydrophobicContact CD-CE1 4.24Å; K768-F778 HydrophobicContact CG-CD1 3.73Å; K768-F778 HydrophobicContact CG-CE1 4.11Å; K768-F778 HydrophobicContact CG-CG 4.24Å; C771-F778 HydrophobicContact CB-CB 3.95Å; F778-K780 HydrophobicContact CE1-CB 3.78Å; F778-K780 HydrophobicContact CZ-CB 4.07Å
779Y85.1Confident82.8Confident39 Ų3955.5 Ų55.515%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-117.7117.8177.2-57.4-87.1000109.4H754 V755 F756 Y757 N777H754-Y779 HydrophobicContact CB-CD2 4.49Å; H754-Y779 HydrophobicContact CB-CE2 4.01Å; H754-Y779 AromaticContact CG-CE2 3.95Å; V755-Y779 PolarHBondContact O-N 3.4Å; F756-Y779 WeakPolarHBondContact CA-O 3.38Å; F756-Y779 HydrophobicContact CD1-CD2 4.01Å; F756-Y779 AromaticContact CD1-CG 4Å; F756-Y779 HydrophobicContact CD1-CG 4Å; F756-Y779 HydrophobicContact CE1-CD1 4.48Å; F756-Y779 AromaticContact CE1-CD2 3.61Å; F756-Y779 HydrophobicContact CE1-CD2 3.61Å; F756-Y779 HydrophobicContact CE1-CE2 4.26Å; F756-Y779 AromaticContact CE1-CG 3.75Å; F756-Y779 HydrophobicContact CE1-CG 3.75Å; F756-Y779 HydrophobicContact CE2-CD2 4.42Å; F756-Y779 AromaticContact CZ-CD2 3.85Å; F756-Y779 HydrophobicContact CZ-CD2 3.85Å; F756-Y779 HydrophobicContact CZ-CE2 4.15Å; F756-Y779 HydrophobicContact CZ-CG 4.43Å; Y757-Y779 PolarHBondContact N-O 3.1Å; N777-Y779 HydrophobicContact CB-CE2 3.72Å
780K81.6Confident82.6Confident71 Ų7156.5 Ų56.531%0.30929%0.288SS..EExtended strand (participates in β ladder)trans-101126.9177.5-175.8-177.6-173.7-146.80110.8Y757 A764 F778 N782Y757-K780 HydrophobicContact CD1-CG 4.34Å; A764-K780 HydrophobicContact CB-CD 4.02Å; F778-K780 HydrophobicContact CE1-CB 3.78Å; F778-K780 HydrophobicContact CZ-CB 4.07Å; K780-N782 WeakPolarHBondContact CE-OD1 3.43Å; K780-N782 PolarHBondContact NZ-OD1 2.87Å
781E73.4Confident82.1Confident5 Ų557.8 Ų57.82%0.02330%0.295CS..EExtended strand (participates in β ladder)trans-96148.3166.7-53.1-149.7104.700111.1T592 P612 Y757 C758 F783T592-E781 WeakPolarHBondContact CB-OE1 3.47Å; T592-E781 PolarHBondContact OG1-OE1 2.94Å; T592-E781 PolarHBondContact OG1-OE2 3.27Å; P612-E781 WeakPolarHBondContact CB-OE2 3.48Å; P612-E781 WeakPolarHBondContact CG-OE2 3.33Å; Y757-E781 PolarHBondContact O-N 3.16Å; C758-E781 HydrophobicContact CB-CB 4.14Å; E781-F783 HydrophobicContact CB-CD2 3.99Å; E781-F783 HydrophobicContact CB-CE2 3.57Å; E781-F783 HydrophobicContact CB-CZ 4.47Å; E781-F783 VanDerWaalsContact CD-CE2 3.49Å; E781-F783 HydrophobicContact CG-CE2 4.17Å; E781-F783 WeakPolarHBondContact OE2-CE2 3.44Å
782N63.7Low81.4Confident119 Ų11962.5 Ų62.564%0.63632%0.319SS*.  trans-129.8109.1171.7-52.7-80.6000107K780K780-N782 WeakPolarHBondContact CE-OD1 3.43Å; K780-N782 PolarHBondContact NZ-OD1 2.87Å
783F57.8Low80.9Confident124 Ų12465.5 Ų65.554%0.54434%0.336SS..  trans-1190170.4-61.3-76.9000109.1Y429 T446 T590 P612 E781Y429-F783 HydrophobicContact CD1-CE1 4.07Å; Y429-F783 HydrophobicContact CG-CE1 4.29Å; T446-F783 WeakPolarHBondContact OG1-CD1 3.17Å; T446-F783 VanDerWaalsContact OG1-CE1 3.3Å; T446-F783 WeakPolarHBondContact OG1-CE1 3.25Å; T446-F783 WeakPolarHBondContact OG1-CG 3.4Å; T590-F783 HydrophobicContact CG2-CE1 3.9Å; T590-F783 HydrophobicContact CG2-CZ 3.67Å; P612-F783 HydrophobicContact CB-CE2 3.96Å; P612-F783 HydrophobicContact CB-CZ 4.48Å; P612-F783 HydrophobicContact CG-CD2 4.07Å; P612-F783 HydrophobicContact CG-CE2 3.81Å; E781-F783 HydrophobicContact CB-CD2 3.99Å; E781-F783 HydrophobicContact CB-CE2 3.57Å; E781-F783 HydrophobicContact CB-CZ 4.47Å; E781-F783 VanDerWaalsContact CD-CE2 3.49Å; E781-F783 HydrophobicContact CG-CE2 4.17Å; E781-F783 WeakPolarHBondContact OE2-CE2 3.44Å

Retrieved 783 of 783 residues in 1094.3 ms (Link to these results)

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