A0A087XNK8_POEFO Loading...

26S proteasome non-ATPase regulatory subunit 10

Acts as a chaperone during the assembly of the 26S proteasome, specifically of the PA700/19S regulatory complex (RC). In the initial step of the base subcomplex assembly is part of an intermediate PSMD10:PSMC4:PSMC5:PAAF1 module which probably assembles with a PSMD5:PSMC2:PSMC1:PSMD2 module. Independently of the proteasome, regulates EGF-induced AKT activation through inhibition of the RHOA/ROCK/PTEN pathway, leading to prolonged AKT activation. Plays an important role in RAS-induced tumorigenesis.

AlphaFold DB , UniProt , Accession A0A087XNK8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M41.6Very low80.3Confident242 Ų24285.2 Ų85.2100%1.19246%0.462SS*.  096.70-82.7178.3-82.900106S3M1-S3 PolarHBondContact O-N 3.02Å
2E51.1Low81.6Confident178 Ų17881.3 Ų81.383%0.83244%0.44SS*.  trans-68.9113.1172.7-79.5176.7154.300107.3S4E2-S4 PolarHBondContact O-N 3.23Å
3S60.4Low82.8Confident107 Ų10775.7 Ų75.775%0.74841%0.41SS*.  trans-64.6113.9168.949.60000107.7M1 V5M1-S3 PolarHBondContact O-N 3.02Å; S3-V5 PolarHBondContact O-N 3.11Å
4S77.4Confident83.8Confident91 Ų9170.3 Ų70.364%0.63638%0.381SS*.  trans-57129172.9550000109.6E2 S6E2-S4 PolarHBondContact O-N 3.23Å; S4-S6 VanDerWaalsContact C-N 3.32Å
5V85.4Confident84.7Confident43 Ų4370.8 Ų70.826%0.26138%0.378SS..SBendtrans-82.1-14.2179.9-64.60000112.9S3 N12 F15 W46S3-V5 PolarHBondContact O-N 3.11Å; V5-N12 WeakPolarHBondContact CG2-OD1 3.44Å; V5-N12 PolarHBondContact N-OD1 3Å; V5-F15 HydrophobicContact CB-CD1 4.35Å; V5-F15 HydrophobicContact CG1-CD1 3.7Å; V5-F15 HydrophobicContact CG1-CE1 3.59Å; V5-F15 HydrophobicContact CG1-CG 4.36Å; V5-F15 HydrophobicContact CG1-CZ 4.16Å; V5-F15 HydrophobicContact CG2-CB 3.79Å; V5-F15 HydrophobicContact CG2-CD1 3.72Å; V5-F15 HydrophobicContact CG2-CD2 4.48Å; V5-F15 HydrophobicContact CG2-CE1 4.44Å; V5-F15 HydrophobicContact CG2-CG 3.74Å; V5-W46 HydrophobicContact CB-CH2 3.95Å; V5-W46 HydrophobicContact CB-CZ3 3.95Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 4.06Å; V5-W46 HydrophobicContact CG2-CH2 4.23Å; V5-W46 HydrophobicContact CG2-CZ3 4.01Å
6S92.3Very high85.4Confident5 Ų569.4 Ų69.44%0.03538%0.375CS..  trans-145149.8-173.6-178.80000110.9S4 V8 C11 N12 D37S4-S6 VanDerWaalsContact C-N 3.32Å; S6-V8 PolarHBondContact O-N 2.64Å; S6-V8 PolarHBondContact OG-N 3.41Å; S6-C11 VanDerWaalsContact OG-CB 3.26Å; S6-C11 WeakPolarHBondContact OG-CB 3.48Å; S6-N12 PolarHBondContact N-OD1 3.41Å; S6-N12 PolarHBondContact O-ND2 3.27Å; S6-N12 PolarHBondContact O-OD1 3.48Å; S6-D37 WeakPolarHBondContact CB-OD2 3.42Å; S6-D37 WeakPolarHBondContact OG-CB 3.41Å; S6-D37 PolarHBondContact OG-OD2 3.28Å
7N93.7Very high86.1Confident115 Ų11566.7 Ų66.762%0.61537%0.368SS*.SBendtrans-74.3-7.7170.470.6-12.3000113.1D37 Q38N7-D37 WeakPolarHBondContact OD1-CA 3Å; N7-D37 WeakPolarHBondContact OD1-CB 3.37Å; N7-Q38 PolarHBondContact OD1-N 3.02Å; N7-Q38 PolarHBondContact OD1-OE1 3.24Å
8V95.1Very high86.7Confident18 Ų1866.4 Ų66.411%0.10936%0.363CS..SBendtrans-103.6125.2177.3173.40000110.3S6 V10 C11 N12 K35 D37S6-V8 PolarHBondContact O-N 2.64Å; S6-V8 PolarHBondContact OG-N 3.41Å; V8-V10 HydrophobicContact CG1-CG2 3.43Å; V8-V10 VanDerWaalsContact CG1-CG2 3.43Å; V8-V10 PolarHBondContact O-N 3.32Å; V8-C11 HydrophobicContact CB-CB 4.19Å; V8-C11 HydrophobicContact CG1-CB 4.38Å; V8-C11 WeakPolarHBondContact O-CB 3.31Å; V8-C11 PolarHBondContact O-N 3.04Å; V8-N12 PolarHBondContact O-N 3.35Å; V8-N12 PolarHBondContact O-ND2 3.14Å; V8-K35 HydrophobicContact CG1-CG 4.14Å; V8-K35 HydrophobicContact CG2-CG 4.25Å; V8-D37 HydrophobicContact CB-CB 4.11Å; V8-D37 HydrophobicContact CG2-CB 3.85Å
9E94.8Very high87.2Confident135 Ų13565.5 Ų65.563%0.63136%0.355SS*.Hα-helixtrans-59.7-45.6-177.4-174.2177.3-174.700112.7C11 N12 L13E9-C11 PolarHBondContact O-N 2.96Å; E9-N12 WeakPolarHBondContact O-CB 3.49Å; E9-N12 PolarHBondContact O-N 2.95Å; E9-L13 HydrophobicContact CG-CD1 4.2Å; E9-L13 HydrophobicContact CG-CG 4.3Å; E9-L13 WeakPolarHBondContact O-CG 3.32Å; E9-L13 PolarHBondContact O-N 3.42Å
10V95.4Very high87.7Confident3 Ų367.9 Ų67.92%0.01837%0.368CS..Hα-helixtrans-62.2-28.1179.7-67.20000113V8 A14 M26 L32V8-V10 HydrophobicContact CG1-CG2 3.43Å; V8-V10 VanDerWaalsContact CG1-CG2 3.43Å; V8-V10 PolarHBondContact O-N 3.32Å; V10-A14 VanDerWaalsContact O-CB 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.22Å; V10-A14 PolarHBondContact O-N 3.15Å; V10-M26 HydrophobicContact CB-CE 4.21Å; V10-M26 HydrophobicContact CG2-CE 4.48Å; V10-L32 HydrophobicContact CG1-CB 4.21Å; V10-L32 HydrophobicContact CG1-CD1 3.83Å; V10-L32 HydrophobicContact CG1-CG 4.48Å; V10-L32 HydrophobicContact CG2-CB 4.38Å
11C96.4Very high88.1Confident0 Ų070 Ų700%037%0.374CS..Hα-helixtrans-70.3-41.3172.9-69.30000111.6S6 V8 E9 A14 F15 W46S6-C11 VanDerWaalsContact OG-CB 3.26Å; S6-C11 WeakPolarHBondContact OG-CB 3.48Å; V8-C11 HydrophobicContact CB-CB 4.19Å; V8-C11 HydrophobicContact CG1-CB 4.38Å; V8-C11 WeakPolarHBondContact O-CB 3.31Å; V8-C11 PolarHBondContact O-N 3.04Å; E9-C11 PolarHBondContact O-N 2.96Å; C11-A14 PolarHBondContact O-N 3.33Å; C11-F15 WeakPolarHBondContact O-CB 3.42Å; C11-F15 PolarHBondContact O-N 3.41Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.25Å
12N96.3Very high90.7Very high38 Ų3858.5 Ų58.520%0.20332%0.317CS..Hα-helixtrans-65.1-40.3173.7-66-48.4000112.1V5 S6 V8 E9 A14 F15 S16V5-N12 WeakPolarHBondContact CG2-OD1 3.44Å; V5-N12 PolarHBondContact N-OD1 3Å; S6-N12 PolarHBondContact N-OD1 3.41Å; S6-N12 PolarHBondContact O-ND2 3.27Å; S6-N12 PolarHBondContact O-OD1 3.48Å; V8-N12 PolarHBondContact O-N 3.35Å; V8-N12 PolarHBondContact O-ND2 3.14Å; E9-N12 WeakPolarHBondContact O-CB 3.49Å; E9-N12 PolarHBondContact O-N 2.95Å; N12-A14 VanDerWaalsContact C-N 3.34Å; N12-F15 PolarHBondContact O-N 3.45Å; N12-S16 WeakPolarHBondContact O-CB 3.39Å; N12-S16 PolarHBondContact O-N 3.25Å; N12-S16 PolarHBondContact O-OG 3.2Å
13L96.8Very high92.9Very high9 Ų954 Ų545%0.04730%0.295CS..Hα-helixtrans-63.6-41.9174.7-64.3174.9000111.1E9 S16 G17 Q18 K21 L22E9-L13 HydrophobicContact CG-CD1 4.2Å; E9-L13 HydrophobicContact CG-CG 4.3Å; E9-L13 WeakPolarHBondContact O-CG 3.32Å; E9-L13 PolarHBondContact O-N 3.42Å; L13-S16 PolarHBondContact O-N 3.23Å; L13-S16 PolarHBondContact O-OG 3.01Å; L13-G17 PolarHBondContact O-N 2.89Å; L13-Q18 HydrophobicContact CB-CB 4.41Å; L13-Q18 HydrophobicContact CD2-CB 3.79Å; L13-Q18 HydrophobicContact CD2-CG 4.37Å; L13-Q18 PolarHBondContact O-N 2.96Å; L13-K21 HydrophobicContact CD1-CB 4.1Å; L13-K21 HydrophobicContact CD2-CB 4.06Å; L13-K21 HydrophobicContact CD2-CD 4.18Å; L13-L22 HydrophobicContact CB-CB 4.09Å; L13-L22 HydrophobicContact CB-CD1 4.38Å
14A97.1Very high94.5Very high0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-63.7-40.5176.100000112.3V10 C11 N12 L22 A43 W46 A47 H52 I55V10-A14 VanDerWaalsContact O-CB 3.27Å; V10-A14 WeakPolarHBondContact O-CB 3.22Å; V10-A14 PolarHBondContact O-N 3.15Å; C11-A14 PolarHBondContact O-N 3.33Å; N12-A14 VanDerWaalsContact C-N 3.34Å; A14-L22 HydrophobicContact CB-CD1 3.63Å; A14-A43 HydrophobicContact CB-CB 3.83Å; A14-A43 VanDerWaalsContact CB-O 3.3Å; A14-A43 WeakPolarHBondContact CB-O 3.43Å; A14-W46 HydrophobicContact CB-CB 4.26Å; A14-A47 HydrophobicContact CB-CB 4.35Å; A14-H52 PolarHBondContact O-CD2 3.37Å; A14-I55 HydrophobicContact CB-CG2 4.38Å
15F96.9Very high95.4Very high78 Ų7852.4 Ų52.434%0.34227%0.269SS..Hα-helixtrans-70-42.5177.2-177.2-107.1000112.8V5 C11 N12 G17 W46 A50 H52V5-F15 HydrophobicContact CB-CD1 4.35Å; V5-F15 HydrophobicContact CG1-CD1 3.7Å; V5-F15 HydrophobicContact CG1-CE1 3.59Å; V5-F15 HydrophobicContact CG1-CG 4.36Å; V5-F15 HydrophobicContact CG1-CZ 4.16Å; V5-F15 HydrophobicContact CG2-CB 3.79Å; V5-F15 HydrophobicContact CG2-CD1 3.72Å; V5-F15 HydrophobicContact CG2-CD2 4.48Å; V5-F15 HydrophobicContact CG2-CE1 4.44Å; V5-F15 HydrophobicContact CG2-CG 3.74Å; C11-F15 WeakPolarHBondContact O-CB 3.42Å; C11-F15 PolarHBondContact O-N 3.41Å; N12-F15 PolarHBondContact O-N 3.45Å; F15-G17 VanDerWaalsContact C-N 3.3Å; F15-G17 PolarHBondContact O-N 2.65Å; F15-W46 HydrophobicContact CB-CB 4.15Å; F15-W46 HydrophobicContact CB-CE3 4.36Å; F15-W46 AromaticContact CD2-CE3 3.67Å; F15-W46 HydrophobicContact CD2-CE3 3.67Å; F15-W46 HydrophobicContact CD2-CZ3 4.24Å; F15-W46 HydrophobicContact CE2-CE3 4.29Å; F15-W46 HydrophobicContact CE2-CZ3 4.47Å; F15-W46 HydrophobicContact CG-CE3 4.2Å; F15-A50 HydrophobicContact CD2-CB 3.93Å; F15-A50 HydrophobicContact CE2-CB 4.31Å; F15-A50 VanDerWaalsContact O-CB 3.26Å; F15-A50 WeakPolarHBondContact O-CB 3.35Å; F15-H52 PolarHBondContact O-CD2 3.39Å; F15-H52 PolarHBondContact O-NE2 3.29Å
16S96.4Very high95.7Very high48 Ų4850.5 Ų50.534%0.33626%0.257SS..Hα-helixtrans-79.2-7.9-178.358.10000114.3N12 L13 Q18N12-S16 WeakPolarHBondContact O-CB 3.39Å; N12-S16 PolarHBondContact O-N 3.25Å; N12-S16 PolarHBondContact O-OG 3.2Å; L13-S16 PolarHBondContact O-N 3.23Å; L13-S16 PolarHBondContact O-OG 3.01Å; S16-Q18 PolarHBondContact OG-NE2 2.76Å
17G96.2Very high95.7Very high24 Ų2455.6 Ų55.625%0.24728%0.283CS..THydrogen-bonded Turntrans82.116.1177.200000114.4L13 F15 F19 H52L13-G17 PolarHBondContact O-N 2.89Å; F15-G17 VanDerWaalsContact C-N 3.3Å; F15-G17 PolarHBondContact O-N 2.65Å; G17-F19 PolarHBondContact O-N 3.14Å; G17-H52 WeakPolarHBondContact CA-NE2 3.42Å; G17-H52 PolarHBondContact N-NE2 2.86Å
18Q96.9Very high95.7Very high62 Ų6255 Ų5529%0.2929%0.288SS..  trans-7968.4-177.4-70-178.271.100111.7L13 S16 D20 K21 L22L13-Q18 HydrophobicContact CB-CB 4.41Å; L13-Q18 HydrophobicContact CD2-CB 3.79Å; L13-Q18 HydrophobicContact CD2-CG 4.37Å; L13-Q18 PolarHBondContact O-N 2.96Å; S16-Q18 PolarHBondContact OG-NE2 2.76Å; Q18-D20 PolarHBondContact O-N 3.22Å; Q18-K21 HydrophobicContact CB-CB 4.45Å; Q18-K21 PolarHBondContact O-N 2.97Å; Q18-K21 VanDerWaalsContact OE1-CD 3.29Å; Q18-L22 WeakPolarHBondContact O-CB 3.26Å; Q18-L22 PolarHBondContact O-N 3.19Å
19F96.8Very high95.6Very high48 Ų4857.2 Ų57.221%0.21130%0.299CS..Hα-helixtrans-53.4-50.6-173.2179.5-100.3000113.8G17 K21 L22 K23 N54 I55 F58G17-F19 PolarHBondContact O-N 3.14Å; F19-K21 PolarHBondContact O-N 3.01Å; F19-L22 PolarHBondContact O-N 3.43Å; F19-K23 HydrophobicContact CE1-CD 4.06Å; F19-K23 HydrophobicContact CZ-CD 4.21Å; F19-K23 VanDerWaalsContact O-CB 3.31Å; F19-K23 WeakPolarHBondContact O-CB 3.33Å; F19-K23 PolarHBondContact O-N 2.99Å; F19-N54 HydrophobicContact CD2-CB 4.48Å; F19-N54 WeakPolarHBondContact CE2-O 3.39Å; F19-I55 HydrophobicContact CB-CG1 4.21Å; F19-I55 HydrophobicContact CD2-CG1 3.79Å; F19-F58 HydrophobicContact CE2-CB 3.6Å; F19-F58 HydrophobicContact CE2-CD1 4.33Å; F19-F58 AromaticContact CE2-CG 3.95Å; F19-F58 HydrophobicContact CE2-CG 3.95Å; F19-F58 HydrophobicContact CZ-CB 4.19Å; F19-F58 HydrophobicContact CZ-CG 4.3Å
20D97.1Very high95.3Very high113 Ų11359.1 Ų59.160%0.60431%0.305SS*.Hα-helixtrans-63.7-41.7-175-65.6-46.4000112.3Q18 K23 Q24Q18-D20 PolarHBondContact O-N 3.22Å; D20-K23 PolarHBondContact O-N 3.07Å; D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 VanDerWaalsContact O-CG 3.28Å; D20-Q24 WeakPolarHBondContact O-CG 3.41Å; D20-Q24 PolarHBondContact O-N 3.33Å
21K96.4Very high95Very high114 Ų11464 Ų6450%0.49634%0.335SS..Hα-helixtrans-67.4-45.2176.6-68-174.3-171.4167.80111.2L13 Q18 F19 K23 Q24 S25L13-K21 HydrophobicContact CD1-CB 4.1Å; L13-K21 HydrophobicContact CD2-CB 4.06Å; L13-K21 HydrophobicContact CD2-CD 4.18Å; Q18-K21 HydrophobicContact CB-CB 4.45Å; Q18-K21 PolarHBondContact O-N 2.97Å; Q18-K21 VanDerWaalsContact OE1-CD 3.29Å; F19-K21 PolarHBondContact O-N 3.01Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 3.19Å; K21-Q24 PolarHBondContact O-N 3.43Å; K21-S25 PolarHBondContact O-N 3.19Å; K21-S25 PolarHBondContact O-OG 3.34Å; K21-S25 VanDerWaalsContact O-OG 3.1Å
22L96.7Very high94.7Very high0 Ų065.9 Ų65.90%035%0.345CS..Hα-helixtrans-57.3-46.7176.8-179.7148.8000110.9L13 A14 Q18 F19 S25 M26 I55 F58 L59L13-L22 HydrophobicContact CB-CB 4.09Å; L13-L22 HydrophobicContact CB-CD1 4.38Å; A14-L22 HydrophobicContact CB-CD1 3.63Å; Q18-L22 WeakPolarHBondContact O-CB 3.26Å; Q18-L22 PolarHBondContact O-N 3.19Å; F19-L22 PolarHBondContact O-N 3.43Å; L22-S25 PolarHBondContact O-N 2.9Å; L22-M26 HydrophobicContact CD2-CE 4.27Å; L22-M26 HydrophobicContact CD2-SD 3.8Å; L22-M26 HydrophobicContact CG-CE 4.34Å; L22-M26 HydrophobicContact CG-SD 4.38Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.38Å; L22-I55 HydrophobicContact CD1-CG2 3.8Å; L22-I55 HydrophobicContact CD2-CG2 4.37Å; L22-F58 HydrophobicContact CD2-CD1 3.82Å; L22-F58 HydrophobicContact CD2-CE1 3.82Å; L22-L59 HydrophobicContact CD2-CD2 4.32Å
23K96.2Very high94.4Very high82 Ų8265 Ų6536%0.35734%0.341SS..Hα-helixtrans-61.2-46177.7179.7172.5-177.6-179.30111.5F19 D20 K21 M26 L27 F58F19-K23 HydrophobicContact CE1-CD 4.06Å; F19-K23 HydrophobicContact CZ-CD 4.21Å; F19-K23 VanDerWaalsContact O-CB 3.31Å; F19-K23 WeakPolarHBondContact O-CB 3.33Å; F19-K23 PolarHBondContact O-N 2.99Å; D20-K23 PolarHBondContact O-N 3.07Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 3.19Å; K23-M26 PolarHBondContact O-N 3.33Å; K23-L27 HydrophobicContact CG-CD1 3.92Å; K23-L27 HydrophobicContact CG-CG 4.44Å; K23-L27 WeakPolarHBondContact O-CB 3.38Å; K23-L27 VanDerWaalsContact O-CG 3.22Å; K23-L27 WeakPolarHBondContact O-CG 3.14Å; K23-L27 PolarHBondContact O-N 2.95Å; K23-F58 HydrophobicContact CB-CE1 4.11Å; K23-F58 HydrophobicContact CB-CZ 4.07Å; K23-F58 HydrophobicContact CD-CE2 4.22Å; K23-F58 HydrophobicContact CD-CZ 4.38Å; K23-F58 HydrophobicContact CG-CE1 4.23Å; K23-F58 HydrophobicContact CG-CE2 4.01Å; K23-F58 HydrophobicContact CG-CZ 3.68Å
24Q95.5Very high94.1Very high136 Ų13667.9 Ų67.964%0.63636%0.357SS*.Hα-helixtrans-60.2-48.4176.4-75.1174.87.500111.5D20 K21 M26 L27 S28D20-Q24 WeakPolarHBondContact O-CB 3.49Å; D20-Q24 VanDerWaalsContact O-CG 3.28Å; D20-Q24 WeakPolarHBondContact O-CG 3.41Å; D20-Q24 PolarHBondContact O-N 3.33Å; K21-Q24 PolarHBondContact O-N 3.43Å; Q24-M26 PolarHBondContact O-N 3.5Å; Q24-L27 PolarHBondContact O-N 3.49Å; Q24-S28 PolarHBondContact O-N 3.5Å; Q24-S28 PolarHBondContact O-OG 2.88Å
25S94.6Very high94Very high29 Ų2972.8 Ų72.820%0.20338%0.378CS..Hα-helixtrans-58.8-45.2179.4-60.20000112.2K21 L22 S28 D29K21-S25 PolarHBondContact O-N 3.19Å; K21-S25 PolarHBondContact O-OG 3.34Å; K21-S25 VanDerWaalsContact O-OG 3.1Å; L22-S25 PolarHBondContact O-N 2.9Å; S25-S28 WeakPolarHBondContact CA-OG 3.04Å; S25-S28 PolarHBondContact O-N 2.79Å; S25-S28 PolarHBondContact O-OG 3.08Å; S25-D29 PolarHBondContact O-N 3.21Å
26M93.1Very high94Very high3 Ų371.8 Ų71.82%0.01538%0.378CS..Hα-helixtrans-73.3-27.2-179.5-69.1-170.8169.600113.9V10 L22 K23 Q24 D29 L32 V33 A43 F58 L59 L62V10-M26 HydrophobicContact CB-CE 4.21Å; V10-M26 HydrophobicContact CG2-CE 4.48Å; L22-M26 HydrophobicContact CD2-CE 4.27Å; L22-M26 HydrophobicContact CD2-SD 3.8Å; L22-M26 HydrophobicContact CG-CE 4.34Å; L22-M26 HydrophobicContact CG-SD 4.38Å; L22-M26 WeakPolarHBondContact O-CG 3.48Å; L22-M26 PolarHBondContact O-N 3.38Å; K23-M26 PolarHBondContact O-N 3.33Å; Q24-M26 PolarHBondContact O-N 3.5Å; M26-D29 CarbonylContact O-C 3.52Å; M26-L32 HydrophobicContact CG-CB 4.42Å; M26-V33 HydrophobicContact CB-CG2 4.5Å; M26-V33 HydrophobicContact SD-CG2 4.42Å; M26-A43 HydrophobicContact CE-CB 3.78Å; M26-F58 HydrophobicContact SD-CE1 4.32Å; M26-L59 HydrophobicContact CE-CD2 3.51Å; M26-L59 HydrophobicContact SD-CD2 3.42Å; M26-L59 WeakPolarHBondContact SD-CD2 3.45Å; M26-L62 HydrophobicContact CB-CD1 4.47Å; M26-L62 HydrophobicContact SD-CD1 4.1Å
27L91.6Very high94Very high112 Ų11270 Ų7059%0.58637%0.365SS*.Hα-helixtrans-74.6-34.1172.2-72.1175.2000111.9K23 Q24K23-L27 HydrophobicContact CG-CD1 3.92Å; K23-L27 HydrophobicContact CG-CG 4.44Å; K23-L27 WeakPolarHBondContact O-CB 3.38Å; K23-L27 VanDerWaalsContact O-CG 3.22Å; K23-L27 WeakPolarHBondContact O-CG 3.14Å; K23-L27 PolarHBondContact O-N 2.95Å; Q24-L27 PolarHBondContact O-N 3.49Å
28S93.9Very high94Very high102 Ų10273 Ų7371%0.71337%0.372SS*.Hα-helixtrans-73.3-36.317555.20000113.1Q24 S25Q24-S28 PolarHBondContact O-N 3.5Å; Q24-S28 PolarHBondContact O-OG 2.88Å; S25-S28 WeakPolarHBondContact CA-OG 3.04Å; S25-S28 PolarHBondContact O-N 2.79Å; S25-S28 PolarHBondContact O-OG 3.08Å
29D92.9Very high94Very high65 Ų6573.2 Ų73.235%0.34838%0.376SS..  trans-137101.2-179-175.5-3.4000110.7S25 M26 T31 L32S25-D29 PolarHBondContact O-N 3.21Å; M26-D29 CarbonylContact O-C 3.52Å; D29-T31 PolarHBondContact O-N 2.9Å; D29-T31 VanDerWaalsContact OD1-CB 3.26Å; D29-T31 WeakPolarHBondContact OD1-CB 3.31Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.25Å; D29-T31 PolarHBondContact OD1-N 3.23Å; D29-T31 PolarHBondContact OD1-OG1 3.37Å; D29-T31 PolarHBondContact OD2-OG1 3.39Å; D29-T31 VanDerWaalsContact OD2-OG1 3.14Å; D29-L32 HydrophobicContact CB-CD1 3.9Å; D29-L32 HydrophobicContact CB-CG 3.98Å; D29-L32 WeakPolarHBondContact O-CB 3.22Å; D29-L32 WeakPolarHBondContact O-CG 3.31Å; D29-L32 PolarHBondContact O-N 3.1Å
30K87.2Confident94Very high175 Ų17571.3 Ų71.376%0.76137%0.37SS*.G310 helixtrans-65.1-18.1178.8-69.6-168.9177.2-173.90113.2L32 V33K30-L32 PolarHBondContact O-N 2.89Å; K30-V33 WeakPolarHBondContact O-CG2 3.47Å; K30-V33 PolarHBondContact O-N 3.32Å
31T89.5Confident94Very high106 Ų10668.7 Ų68.765%0.6535%0.352SS*.G310 helixtrans-68.3-17.6178.573.90000112.3D29 V33D29-T31 PolarHBondContact O-N 2.9Å; D29-T31 VanDerWaalsContact OD1-CB 3.26Å; D29-T31 WeakPolarHBondContact OD1-CB 3.31Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.25Å; D29-T31 PolarHBondContact OD1-N 3.23Å; D29-T31 PolarHBondContact OD1-OG1 3.37Å; D29-T31 PolarHBondContact OD2-OG1 3.39Å; D29-T31 VanDerWaalsContact OD2-OG1 3.14Å; T31-V33 VanDerWaalsContact C-N 3.32Å; T31-V33 PolarHBondContact O-N 3.07Å
32L91.6Very high94.1Very high40 Ų4063.4 Ų63.421%0.20933%0.329CS..G310 helixtrans-74.6-18.3-179.7-61.5179000114.1V10 M26 D29 K30 N34 K35V10-L32 HydrophobicContact CG1-CB 4.21Å; V10-L32 HydrophobicContact CG1-CD1 3.83Å; V10-L32 HydrophobicContact CG1-CG 4.48Å; V10-L32 HydrophobicContact CG2-CB 4.38Å; M26-L32 HydrophobicContact CG-CB 4.42Å; D29-L32 HydrophobicContact CB-CD1 3.9Å; D29-L32 HydrophobicContact CB-CG 3.98Å; D29-L32 WeakPolarHBondContact O-CB 3.22Å; D29-L32 WeakPolarHBondContact O-CG 3.31Å; D29-L32 PolarHBondContact O-N 3.1Å; K30-L32 PolarHBondContact O-N 2.89Å; L32-N34 PolarHBondContact O-N 3.17Å; L32-K35 WeakPolarHBondContact O-CB 3.46Å; L32-K35 PolarHBondContact O-N 3.37Å
33V88.9Confident94.1Very high20 Ų2063.5 Ų63.512%0.12133%0.329CS..THydrogen-bonded Turntrans-59.3-42.2-170.9172.50000112.6M26 K30 T31 L62 V64M26-V33 HydrophobicContact CB-CG2 4.5Å; M26-V33 HydrophobicContact SD-CG2 4.42Å; K30-V33 WeakPolarHBondContact O-CG2 3.47Å; K30-V33 PolarHBondContact O-N 3.32Å; T31-V33 VanDerWaalsContact C-N 3.32Å; T31-V33 PolarHBondContact O-N 3.07Å; V33-L62 HydrophobicContact CG1-CB 4.34Å; V33-L62 HydrophobicContact CG2-CD1 4.08Å; V33-V64 HydrophobicContact CG1-CB 4.48Å; V33-V64 HydrophobicContact CG1-CG1 3.37Å
34N90.6Very high94.2Very high69 Ų6959.7 Ų59.737%0.36931%0.313SS..THydrogen-bonded Turntrans-113.922.1176.8-66.7-34.2000112L32 T36 E65L32-N34 PolarHBondContact O-N 3.17Å; N34-T36 PolarHBondContact O-N 2.95Å; N34-E65 PolarHBondContact OD1-N 3.28Å
35K94.7Very high94.3Very high103 Ų10353.2 Ų53.245%0.44828%0.283SS..  trans-67.7124.1179.9-177.861.4178.3167.20109.6V8 L32V8-K35 HydrophobicContact CG1-CG 4.14Å; V8-K35 HydrophobicContact CG2-CG 4.25Å; L32-K35 WeakPolarHBondContact O-CB 3.46Å; L32-K35 PolarHBondContact O-N 3.37Å
36T96.3Very high94.5Very high56 Ų5652.9 Ų52.934%0.34428%0.277SS..  trans-89.6148.4174.557.10000111.2N34 R41 T42 L68N34-T36 PolarHBondContact O-N 2.95Å; T36-R41 CarbonylContact C-O 3.53Å; T36-R41 VanDerWaalsContact CA-O 3.32Å; T36-R41 WeakPolarHBondContact CA-O 3.28Å; T36-T42 HydrophobicContact CG2-CG2 3.93Å; T36-L68 HydrophobicContact CG2-CD2 4.23Å
37D96.7Very high94.7Very high12 Ų1252.7 Ų52.76%0.06428%0.276CS..  trans-92.9-167.5171.370.210.8000112.8S6 N7 V8 D39 G40 R41 W46S6-D37 WeakPolarHBondContact CB-OD2 3.42Å; S6-D37 WeakPolarHBondContact OG-CB 3.41Å; S6-D37 PolarHBondContact OG-OD2 3.28Å; N7-D37 WeakPolarHBondContact OD1-CA 3Å; N7-D37 WeakPolarHBondContact OD1-CB 3.37Å; V8-D37 HydrophobicContact CB-CB 4.11Å; V8-D37 HydrophobicContact CG2-CB 3.85Å; D37-D39 PolarHBondContact O-N 3.31Å; D37-D39 PolarHBondContact OD1-N 3.19Å; D37-G40 PolarHBondContact O-N 3.19Å; D37-G40 PolarHBondContact OD1-N 2.78Å; D37-R41 PolarHBondContact N-O 2.9Å; D37-R41 WeakPolarHBondContact OD1-CB 3.43Å; D37-R41 PolarHBondContact OD1-N 3.24Å; D37-W46 PolarHBondContact OD2-NE1 3.31Å
38Q96.6Very high95.1Very high85 Ų8547.4 Ų47.440%0.39725%0.248SC..THydrogen-bonded Turntrans-63.9-17.1-178.575.7-75.6-19.300115.1N7N7-Q38 PolarHBondContact OD1-N 3.02Å; N7-Q38 PolarHBondContact OD1-OE1 3.24Å
39D96.7Very high95.2Very high67 Ų6744.4 Ų44.436%0.35823%0.227SC..THydrogen-bonded Turntrans-104.310.6-179.5-59-56.2000111.5D37 R41 D70 D71D37-D39 PolarHBondContact O-N 3.31Å; D37-D39 PolarHBondContact OD1-N 3.19Å; D39-R41 HydrophobicContact CB-CG 4.29Å; D39-R41 PolarHBondContact O-N 3.3Å; D39-D70 WeakPolarHBondContact O-CB 3.4Å; D39-D71 VanDerWaalsContact C-CG 3.47Å; D39-D71 PolarHBondContact O-N 2.9Å
40G97.1Very high95.5Very high9 Ų942.4 Ų42.49%0.09322%0.22CC..SBendtrans74.510.2-173.600000113.5D37D37-G40 PolarHBondContact O-N 3.19Å; D37-G40 PolarHBondContact OD1-N 2.78Å
41R97.9Very high96Very high57 Ų5735.1 Ų35.122%0.21520%0.195CC..  trans-90.9139.7-175.1-69.2-178.5171.4170.44.3112.5T36 D37 D39 H45 D70T36-R41 CarbonylContact C-O 3.53Å; T36-R41 VanDerWaalsContact CA-O 3.32Å; T36-R41 WeakPolarHBondContact CA-O 3.28Å; D37-R41 PolarHBondContact N-O 2.9Å; D37-R41 WeakPolarHBondContact OD1-CB 3.43Å; D37-R41 PolarHBondContact OD1-N 3.24Å; D39-R41 HydrophobicContact CB-CG 4.29Å; D39-R41 PolarHBondContact O-N 3.3Å; R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.04Å; R41-D70 HydrophobicContact CG-CB 3.53Å; R41-D70 IonicContact CZ-OD2 2.92Å; R41-D70 IonicContact NE-OD2 3.61Å; R41-D70 PolarHBondContact NE-OD2 3.21Å; R41-D70 IonicContact NH2-OD2 2.82Å; R41-D70 PolarHBondContact NH2-OD2 3.41Å
42T97.4Very high96.4Very high4 Ų432.5 Ų32.53%0.02518%0.175CC..  trans-94.8170.7170.563.30000111.5T36 L44 H45 W46 L68T36-T42 HydrophobicContact CG2-CG2 3.93Å; T42-L44 PolarHBondContact O-N 2.95Å; T42-L44 VanDerWaalsContact O-N 3.12Å; T42-L44 PolarHBondContact OG1-N 3.42Å; T42-H45 PolarHBondContact N-ND1 3.12Å; T42-H45 WeakPolarHBondContact O-CB 3.47Å; T42-H45 PolarHBondContact O-N 3.21Å; T42-H45 PolarHBondContact OG1-ND1 3.26Å; T42-W46 PolarHBondContact O-N 3.43Å; T42-L68 HydrophobicContact CG2-CD1 4.34Å; T42-L68 HydrophobicContact CG2-CD2 4.05Å
43A97.3Very high96.7Very high1 Ų132.5 Ų32.51%0.00818%0.176CC..Hα-helixtrans-51.4-33.9171.100000112.8A14 M26 W46 A47 L59A14-A43 HydrophobicContact CB-CB 3.83Å; A14-A43 VanDerWaalsContact CB-O 3.3Å; A14-A43 WeakPolarHBondContact CB-O 3.43Å; M26-A43 HydrophobicContact CE-CB 3.78Å; A43-W46 PolarHBondContact O-N 2.97Å; A43-A47 WeakPolarHBondContact O-CB 3.32Å; A43-A47 PolarHBondContact O-N 3.44Å; A43-L59 HydrophobicContact CB-CD1 4.06Å; A43-L59 HydrophobicContact CB-CD2 4.38Å
44L98.3Very high97.1Very high2 Ų235.2 Ų35.21%0.0119%0.19CC..Hα-helixtrans-63.5-41.9178-177.562000112.1T42 W46 A47 C48 V56 L59 L60 V64 P76 L92T42-L44 PolarHBondContact O-N 2.95Å; T42-L44 VanDerWaalsContact O-N 3.12Å; T42-L44 PolarHBondContact OG1-N 3.42Å; L44-W46 VanDerWaalsContact C-N 3.34Å; L44-W46 PolarHBondContact O-N 3.3Å; L44-A47 PolarHBondContact O-N 3.27Å; L44-C48 WeakPolarHBondContact O-CB 3.26Å; L44-C48 PolarHBondContact O-N 2.94Å; L44-C48 PolarHBondContact O-SG 2.88Å; L44-V56 HydrophobicContact CD1-CB 4.47Å; L44-V56 HydrophobicContact CD1-CG1 4.03Å; L44-V56 HydrophobicContact CD1-CG2 4.28Å; L44-L59 HydrophobicContact CB-CD1 4.1Å; L44-L59 HydrophobicContact CD1-CB 4.37Å; L44-L59 HydrophobicContact CD1-CD1 4.25Å; L44-L60 HydrophobicContact CD2-CD2 4.48Å; L44-V64 HydrophobicContact CD2-CG2 3.89Å; L44-P76 HydrophobicContact CD2-CB 4.06Å; L44-P76 HydrophobicContact CD2-CG 3.71Å; L44-P76 HydrophobicContact CG-CB 4.01Å; L44-P76 HydrophobicContact CG-CG 3.92Å; L44-L92 HydrophobicContact CD1-CD2 4.38Å; L44-L92 HydrophobicContact CD2-CD2 4.32Å
45H98.4Very high97.5Very high1 Ų131.9 Ų31.91%0.00517%0.173CC..Hα-helixtrans-60-46.2177.3-68.881.3000111.2R41 T42 C48 S49 L68 W74 I79R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.04Å; T42-H45 PolarHBondContact N-ND1 3.12Å; T42-H45 WeakPolarHBondContact O-CB 3.47Å; T42-H45 PolarHBondContact O-N 3.21Å; T42-H45 PolarHBondContact OG1-ND1 3.26Å; H45-C48 PolarHBondContact O-N 3.36Å; H45-S49 PolarHBondContact O-N 2.92Å; H45-L68 PolarHBondContact CE1-O 3.48Å; H45-L68 PolarHBondContact NE2-O 2.94Å; H45-W74 PolarHBondContact NE2-O 3.12Å; H45-I79 HydrophobicContact CB-CD1 3.79Å
46W98Very high97.6Very high21 Ų2127 Ų278%0.0815%0.151CC..Hα-helixtrans-69.3-40.4-179.2-71.3109.2000112.9V5 C11 A14 F15 D37 T42 A43 L44 C48 S49 A50V5-W46 HydrophobicContact CB-CH2 3.95Å; V5-W46 HydrophobicContact CB-CZ3 3.95Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 4.06Å; V5-W46 HydrophobicContact CG2-CH2 4.23Å; V5-W46 HydrophobicContact CG2-CZ3 4.01Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.25Å; A14-W46 HydrophobicContact CB-CB 4.26Å; F15-W46 HydrophobicContact CB-CB 4.15Å; F15-W46 HydrophobicContact CB-CE3 4.36Å; F15-W46 AromaticContact CD2-CE3 3.67Å; F15-W46 HydrophobicContact CD2-CE3 3.67Å; F15-W46 HydrophobicContact CD2-CZ3 4.24Å; F15-W46 HydrophobicContact CE2-CE3 4.29Å; F15-W46 HydrophobicContact CE2-CZ3 4.47Å; F15-W46 HydrophobicContact CG-CE3 4.2Å; D37-W46 PolarHBondContact OD2-NE1 3.31Å; T42-W46 PolarHBondContact O-N 3.43Å; A43-W46 PolarHBondContact O-N 2.97Å; L44-W46 VanDerWaalsContact C-N 3.34Å; L44-W46 PolarHBondContact O-N 3.3Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 2.87Å; W46-S49 PolarHBondContact O-N 3.46Å; W46-A50 WeakPolarHBondContact O-CB 3.43Å; W46-A50 PolarHBondContact O-N 2.87Å
47A98.1Very high97.7Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-62.2-40.8173.300000111.7A14 A43 L44 A50 G51 H52 I55 V56 L59A14-A47 HydrophobicContact CB-CB 4.35Å; A43-A47 WeakPolarHBondContact O-CB 3.32Å; A43-A47 PolarHBondContact O-N 3.44Å; L44-A47 PolarHBondContact O-N 3.27Å; A47-A50 PolarHBondContact O-N 3.17Å; A47-G51 PolarHBondContact O-N 3.06Å; A47-H52 PolarHBondContact O-N 3.41Å; A47-I55 HydrophobicContact CB-CB 4.18Å; A47-I55 HydrophobicContact CB-CG2 3.66Å; A47-V56 HydrophobicContact CB-CG2 3.7Å; A47-L59 HydrophobicContact CB-CD1 4.38Å
48C98.4Very high97.8Very high0 Ų030 Ų300%016%0.161CC..Hα-helixtrans-63.7-39.8174.6-69.10000112.4L44 H45 W46 I79 A80 R85 I88L44-C48 WeakPolarHBondContact O-CB 3.26Å; L44-C48 PolarHBondContact O-N 2.94Å; L44-C48 PolarHBondContact O-SG 2.88Å; H45-C48 PolarHBondContact O-N 3.36Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 2.87Å; C48-I79 HydrophobicContact CB-CB 4.44Å; C48-I79 HydrophobicContact CB-CG2 4.15Å; C48-A80 HydrophobicContact CB-CB 4.26Å; C48-R85 WeakPolarHBondContact O-CG 3.4Å; C48-I88 HydrophobicContact CB-CG2 4.19Å; C48-I88 VanDerWaalsContact SG-CG2 3.58Å
49S97.7Very high97.8Very high39 Ų3926 Ų2627%0.27314%0.142SC..Hα-helixtrans-64.5-49.9176.3-174.50000111.5H45 W46 G51 I79 R85H45-S49 PolarHBondContact O-N 2.92Å; W46-S49 PolarHBondContact O-N 3.46Å; S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.1Å; S49-I79 VanDerWaalsContact CA-CG2 3.46Å; S49-R85 PolarHBondContact O-NE 2.94Å; S49-R85 PolarHBondContact O-NH2 3.37Å
50A97.3Very high97.8Very high23 Ų2323.9 Ų23.919%0.1913%0.131CC..Hα-helixtrans-72.8-25.8-176.200000113.5F15 W46 A47 H52 R85F15-A50 HydrophobicContact CD2-CB 3.93Å; F15-A50 HydrophobicContact CE2-CB 4.31Å; F15-A50 VanDerWaalsContact O-CB 3.26Å; F15-A50 WeakPolarHBondContact O-CB 3.35Å; W46-A50 WeakPolarHBondContact O-CB 3.43Å; W46-A50 PolarHBondContact O-N 2.87Å; A47-A50 PolarHBondContact O-N 3.17Å; A50-H52 WeakPolarHBondContact CB-CD2 3.5Å; A50-H52 WeakPolarHBondContact CB-NE2 3.27Å; A50-R85 PolarHBondContact O-NH2 3.35Å; A50-R85 VanDerWaalsContact O-NH2 3.1Å
51G97.8Very high97.7Very high22 Ų2227.7 Ų27.723%0.22716%0.156CC..THydrogen-bonded Turntrans90.522.7178.900000114.4A47 S49 T53A47-G51 PolarHBondContact O-N 3.06Å; S49-G51 VanDerWaalsContact C-N 3.35Å; S49-G51 PolarHBondContact O-N 3.1Å; G51-T53 PolarHBondContact O-N 2.87Å; G51-T53 VanDerWaalsContact O-N 3.15Å
52H98.3Very high97.6Very high52 Ų5228.2 Ų28.224%0.24116%0.163CC..  trans-85.484.1-178.1-62.2-55.6000111.3A14 F15 G17 A47 A50 N54 I55 V56A14-H52 PolarHBondContact O-CD2 3.37Å; F15-H52 PolarHBondContact O-CD2 3.39Å; F15-H52 PolarHBondContact O-NE2 3.29Å; G17-H52 WeakPolarHBondContact CA-NE2 3.42Å; G17-H52 PolarHBondContact N-NE2 2.86Å; A47-H52 PolarHBondContact O-N 3.41Å; A50-H52 WeakPolarHBondContact CB-CD2 3.5Å; A50-H52 WeakPolarHBondContact CB-NE2 3.27Å; H52-N54 VanDerWaalsContact C-N 3.31Å; H52-N54 PolarHBondContact O-N 3.47Å; H52-I55 HydrophobicContact CB-CB 4.07Å; H52-I55 HydrophobicContact CB-CD1 3.87Å; H52-I55 HydrophobicContact CB-CG1 4.13Å; H52-I55 PolarHBondContact O-N 3.45Å; H52-I55 VanDerWaalsContact O-N 3.1Å; H52-V56 PolarHBondContact O-N 3.47Å
53T98.1Very high97.2Very high39 Ų3930.9 Ų30.924%0.23919%0.191CC..Hα-helixtrans-55.3-42.9-175.5-51.70000112.9G51 I55 V56 E57 D87 I88G51-T53 PolarHBondContact O-N 2.87Å; G51-T53 VanDerWaalsContact O-N 3.15Å; T53-I55 VanDerWaalsContact C-N 3.33Å; T53-I55 PolarHBondContact O-N 3.36Å; T53-V56 PolarHBondContact O-N 2.84Å; T53-V56 VanDerWaalsContact O-N 3.17Å; T53-E57 HydrophobicContact CG2-CG 4.32Å; T53-E57 WeakPolarHBondContact O-CG 3.14Å; T53-E57 PolarHBondContact O-N 3.48Å; T53-D87 HydrophobicContact CG2-CB 4.02Å; T53-I88 HydrophobicContact CG2-CG1 4.5Å
54N97.8Very high97Very high77 Ų7731.4 Ų31.441%0.41219%0.194SC..Hα-helixtrans-60.3-38.3177.762.3-24.3000113.3F19 H52 F58F19-N54 HydrophobicContact CD2-CB 4.48Å; F19-N54 WeakPolarHBondContact CE2-O 3.39Å; H52-N54 VanDerWaalsContact C-N 3.31Å; H52-N54 PolarHBondContact O-N 3.47Å; N54-F58 WeakPolarHBondContact O-CB 3.47Å; N54-F58 PolarHBondContact O-N 2.82Å; N54-F58 VanDerWaalsContact O-N 3.12Å
55I98.1Very high96.8Very high0 Ų036.8 Ų36.80%022%0.219CC..Hα-helixtrans-69.4-44.8175.4-67.2174.8000109.7A14 F19 L22 A47 H52 T53 E57 F58 L59A14-I55 HydrophobicContact CB-CG2 4.38Å; F19-I55 HydrophobicContact CB-CG1 4.21Å; F19-I55 HydrophobicContact CD2-CG1 3.79Å; L22-I55 HydrophobicContact CD1-CG2 3.8Å; L22-I55 HydrophobicContact CD2-CG2 4.37Å; A47-I55 HydrophobicContact CB-CB 4.18Å; A47-I55 HydrophobicContact CB-CG2 3.66Å; H52-I55 HydrophobicContact CB-CB 4.07Å; H52-I55 HydrophobicContact CB-CD1 3.87Å; H52-I55 HydrophobicContact CB-CG1 4.13Å; H52-I55 PolarHBondContact O-N 3.45Å; H52-I55 VanDerWaalsContact O-N 3.1Å; T53-I55 VanDerWaalsContact C-N 3.33Å; T53-I55 PolarHBondContact O-N 3.36Å; I55-E57 PolarHBondContact O-N 3.14Å; I55-F58 PolarHBondContact O-N 2.9Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.25Å; I55-L59 VanDerWaalsContact O-CG 3.22Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 3.04Å
56V98.4Very high96.7Very high0 Ų037.5 Ų37.50%022%0.224CC..Hα-helixtrans-58.2-50.7177.3171.10000111L44 A47 H52 T53 F58 L59 L60 I88L44-V56 HydrophobicContact CD1-CB 4.47Å; L44-V56 HydrophobicContact CD1-CG1 4.03Å; L44-V56 HydrophobicContact CD1-CG2 4.28Å; A47-V56 HydrophobicContact CB-CG2 3.7Å; H52-V56 PolarHBondContact O-N 3.47Å; T53-V56 PolarHBondContact O-N 2.84Å; T53-V56 VanDerWaalsContact O-N 3.17Å; V56-F58 VanDerWaalsContact C-N 3.31Å; V56-F58 PolarHBondContact O-N 3.3Å; V56-L59 PolarHBondContact O-N 2.94Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.4Å; V56-L60 PolarHBondContact O-N 3.45Å; V56-I88 HydrophobicContact CB-CG1 4.23Å; V56-I88 HydrophobicContact CG1-CG1 4.42Å; V56-I88 HydrophobicContact CG1-CG2 4.21Å; V56-I88 HydrophobicContact CG2-CD1 3.87Å; V56-I88 HydrophobicContact CG2-CG1 3.91Å; V56-I88 HydrophobicContact CG2-CG2 4.14Å
57E98.1Very high96.7Very high105 Ų10538.3 Ų38.349%0.49123%0.229SC..Hα-helixtrans-59.2-42.5179.4-72.4175172.200112.2T53 I55 L60 S61T53-E57 HydrophobicContact CG2-CG 4.32Å; T53-E57 WeakPolarHBondContact O-CG 3.14Å; T53-E57 PolarHBondContact O-N 3.48Å; I55-E57 PolarHBondContact O-N 3.14Å; E57-L60 PolarHBondContact O-N 3.46Å; E57-S61 WeakPolarHBondContact O-CB 3.37Å; E57-S61 PolarHBondContact O-N 3.47Å
58F97.6Very high96.6Very high27 Ų2740 Ų4012%0.11824%0.238CC..Hα-helixtrans-62.6-47.4175172.5-109.3000112F19 L22 K23 M26 N54 I55 V56 L60 S61 L62F19-F58 HydrophobicContact CE2-CB 3.6Å; F19-F58 HydrophobicContact CE2-CD1 4.33Å; F19-F58 AromaticContact CE2-CG 3.95Å; F19-F58 HydrophobicContact CE2-CG 3.95Å; F19-F58 HydrophobicContact CZ-CB 4.19Å; F19-F58 HydrophobicContact CZ-CG 4.3Å; L22-F58 HydrophobicContact CD2-CD1 3.82Å; L22-F58 HydrophobicContact CD2-CE1 3.82Å; K23-F58 HydrophobicContact CB-CE1 4.11Å; K23-F58 HydrophobicContact CB-CZ 4.07Å; K23-F58 HydrophobicContact CD-CE2 4.22Å; K23-F58 HydrophobicContact CD-CZ 4.38Å; K23-F58 HydrophobicContact CG-CE1 4.23Å; K23-F58 HydrophobicContact CG-CE2 4.01Å; K23-F58 HydrophobicContact CG-CZ 3.68Å; M26-F58 HydrophobicContact SD-CE1 4.32Å; N54-F58 WeakPolarHBondContact O-CB 3.47Å; N54-F58 PolarHBondContact O-N 2.82Å; N54-F58 VanDerWaalsContact O-N 3.12Å; I55-F58 PolarHBondContact O-N 2.9Å; V56-F58 VanDerWaalsContact C-N 3.31Å; V56-F58 PolarHBondContact O-N 3.3Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.09Å; F58-S61 WeakPolarHBondContact O-CB 3.38Å; F58-S61 PolarHBondContact O-N 2.92Å; F58-S61 VanDerWaalsContact O-N 3.14Å; F58-S61 PolarHBondContact O-OG 3.33Å; F58-L62 HydrophobicContact CD1-CD1 4.4Å; F58-L62 HydrophobicContact CE1-CD1 3.74Å; F58-L62 HydrophobicContact CE1-CG 4.49Å; F58-L62 HydrophobicContact CE2-CD1 4.33Å; F58-L62 HydrophobicContact CE2-CD2 4.23Å; F58-L62 HydrophobicContact CE2-CG 4.31Å; F58-L62 HydrophobicContact CZ-CD1 3.7Å; F58-L62 HydrophobicContact CZ-CD2 4.25Å; F58-L62 HydrophobicContact CZ-CG 4.17Å; F58-L62 PolarHBondContact O-N 2.93Å
59L96.9Very high96.6Very high1 Ų143.2 Ų43.21%0.00525%0.253CS..Hα-helixtrans-59.5-44.2177.5-69.8174.2000111.5L22 M26 A43 L44 A47 I55 V56 S61 L62 V64L22-L59 HydrophobicContact CD2-CD2 4.32Å; M26-L59 HydrophobicContact CE-CD2 3.51Å; M26-L59 HydrophobicContact SD-CD2 3.42Å; M26-L59 WeakPolarHBondContact SD-CD2 3.45Å; A43-L59 HydrophobicContact CB-CD1 4.06Å; A43-L59 HydrophobicContact CB-CD2 4.38Å; L44-L59 HydrophobicContact CB-CD1 4.1Å; L44-L59 HydrophobicContact CD1-CB 4.37Å; L44-L59 HydrophobicContact CD1-CD1 4.25Å; A47-L59 HydrophobicContact CB-CD1 4.38Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.19Å; I55-L59 WeakPolarHBondContact O-CB 3.25Å; I55-L59 VanDerWaalsContact O-CG 3.22Å; I55-L59 WeakPolarHBondContact O-CG 3.48Å; I55-L59 PolarHBondContact O-N 3.04Å; V56-L59 PolarHBondContact O-N 2.94Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 3.37Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 2.98Å; L59-L62 VanDerWaalsContact O-N 3.11Å; L59-V64 HydrophobicContact CB-CG1 4.17Å; L59-V64 HydrophobicContact CB-CG2 4.34Å; L59-V64 HydrophobicContact CD2-CG1 4.49Å; L59-V64 VanDerWaalsContact O-CG1 3.31Å; L59-V64 WeakPolarHBondContact O-CG1 3.43Å; L59-V64 WeakPolarHBondContact O-CG2 3.49Å
60L96.9Very high96.6Very high21 Ų2141.6 Ų41.611%0.1124%0.242CC..Hα-helixtrans-61.2-39.1175.9-66.6174.5000111.8L44 V56 E57 F58 L62 G63 V64 V66 L92L44-L60 HydrophobicContact CD2-CD2 4.48Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.21Å; V56-L60 VanDerWaalsContact O-CG 3.25Å; V56-L60 WeakPolarHBondContact O-CG 3.4Å; V56-L60 PolarHBondContact O-N 3.45Å; E57-L60 PolarHBondContact O-N 3.46Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.09Å; L60-L62 PolarHBondContact O-N 3.12Å; L60-G63 PolarHBondContact O-N 3.18Å; L60-V64 HydrophobicContact CD2-CG2 4.06Å; L60-V66 HydrophobicContact CD2-CG1 4.33Å; L60-V66 HydrophobicContact CD2-CG2 3.57Å; L60-L92 HydrophobicContact CD2-CD2 4.31Å
61S96Very high96.7Very high90 Ų9045.6 Ų45.663%0.62926%0.26SS*.Hα-helixtrans-64.6-21.5176.480.30000114E57 F58 L59 G63E57-S61 WeakPolarHBondContact O-CB 3.37Å; E57-S61 PolarHBondContact O-N 3.47Å; F58-S61 WeakPolarHBondContact O-CB 3.38Å; F58-S61 PolarHBondContact O-N 2.92Å; F58-S61 VanDerWaalsContact O-N 3.14Å; F58-S61 PolarHBondContact O-OG 3.33Å; L59-S61 VanDerWaalsContact C-N 3.31Å; L59-S61 PolarHBondContact O-N 3.37Å; S61-G63 VanDerWaalsContact C-N 3.29Å
62L94Very high96.7Very high68 Ų6846 Ų4636%0.35626%0.261SS..THydrogen-bonded Turntrans-82.5-5.1174.8-63.6179.3000113.3M26 V33 F58 L59 L60M26-L62 HydrophobicContact CB-CD1 4.47Å; M26-L62 HydrophobicContact SD-CD1 4.1Å; V33-L62 HydrophobicContact CG1-CB 4.34Å; V33-L62 HydrophobicContact CG2-CD1 4.08Å; F58-L62 HydrophobicContact CD1-CD1 4.4Å; F58-L62 HydrophobicContact CE1-CD1 3.74Å; F58-L62 HydrophobicContact CE1-CG 4.49Å; F58-L62 HydrophobicContact CE2-CD1 4.33Å; F58-L62 HydrophobicContact CE2-CD2 4.23Å; F58-L62 HydrophobicContact CE2-CG 4.31Å; F58-L62 HydrophobicContact CZ-CD1 3.7Å; F58-L62 HydrophobicContact CZ-CD2 4.25Å; F58-L62 HydrophobicContact CZ-CG 4.17Å; F58-L62 PolarHBondContact O-N 2.93Å; L59-L62 WeakPolarHBondContact O-CB 3.23Å; L59-L62 PolarHBondContact O-N 2.98Å; L59-L62 VanDerWaalsContact O-N 3.11Å; L60-L62 PolarHBondContact O-N 3.12Å
63G89.3Confident96.7Very high60 Ų6047 Ų4762%0.61927%0.268SS*.THydrogen-bonded Turntrans74.435.5-177.800000113.5L60 S61L60-G63 PolarHBondContact O-N 3.18Å; S61-G63 VanDerWaalsContact C-N 3.29Å
64V93.6Very high96.7Very high11 Ų1147.4 Ų47.47%0.06727%0.265CS..  trans-56.4154170.9-68.20000111.8V33 L44 L59 L60 V66V33-V64 HydrophobicContact CG1-CB 4.48Å; V33-V64 HydrophobicContact CG1-CG1 3.37Å; L44-V64 HydrophobicContact CD2-CG2 3.89Å; L59-V64 HydrophobicContact CB-CG1 4.17Å; L59-V64 HydrophobicContact CB-CG2 4.34Å; L59-V64 HydrophobicContact CD2-CG1 4.49Å; L59-V64 VanDerWaalsContact O-CG1 3.31Å; L59-V64 WeakPolarHBondContact O-CG1 3.43Å; L59-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 HydrophobicContact CD2-CG2 4.06Å; V64-V66 PolarHBondContact O-N 3.16Å
65E93.3Very high96.7Very high116 Ų11643.8 Ų43.854%0.54225%0.245SC..  trans-74.397.4172.5-170.8171.3-173.900110.4N34 N67 L68N34-E65 PolarHBondContact OD1-N 3.28Å; E65-N67 PolarHBondContact O-N 3.01Å; E65-L68 HydrophobicContact CB-CB 4.36Å; E65-L68 HydrophobicContact CG-CB 4.21Å; E65-L68 PolarHBondContact O-N 2.81Å
66V96.6Very high96.7Very high16 Ų1643.8 Ų43.810%0.09725%0.245CC..THydrogen-bonded Turntrans-62.6-26.6-173.6-173.90000113.3L60 V64 P76 L92 A97L60-V66 HydrophobicContact CD2-CG1 4.33Å; L60-V66 HydrophobicContact CD2-CG2 3.57Å; V64-V66 PolarHBondContact O-N 3.16Å; V66-P76 WeakPolarHBondContact O-CD 3.43Å; V66-P76 WeakPolarHBondContact O-CG 3.3Å; V66-L92 HydrophobicContact CG1-CD2 3.75Å; V66-A97 HydrophobicContact CG1-CB 3.93Å
67N97.7Very high96.8Very high38 Ų3843.9 Ų43.920%0.20325%0.246CC..THydrogen-bonded Turntrans-1024.8-172.9-66.4-51.7000114E65 Q69 G96 A97 Q98E65-N67 PolarHBondContact O-N 3.01Å; N67-Q69 PolarHBondContact O-N 3.2Å; N67-G96 PolarHBondContact ND2-O 3.43Å; N67-G96 VanDerWaalsContact ND2-O 3.08Å; N67-A97 VanDerWaalsContact OD1-CA 3.31Å; N67-A97 WeakPolarHBondContact OD1-CA 3.38Å; N67-Q98 PolarHBondContact OD1-N 3.36Å
68L97.2Very high96.8Very high34 Ų3438.9 Ų38.918%0.17822%0.223CC..  trans-59.1130.7176.9-168.4147.9000109.1T36 T42 H45 E65 P76T36-L68 HydrophobicContact CG2-CD2 4.23Å; T42-L68 HydrophobicContact CG2-CD1 4.34Å; T42-L68 HydrophobicContact CG2-CD2 4.05Å; H45-L68 PolarHBondContact CE1-O 3.48Å; H45-L68 PolarHBondContact NE2-O 2.94Å; E65-L68 HydrophobicContact CB-CB 4.36Å; E65-L68 HydrophobicContact CG-CB 4.21Å; E65-L68 PolarHBondContact O-N 2.81Å; L68-P76 VanDerWaalsContact O-CD 3.26Å; L68-P76 WeakPolarHBondContact O-CD 3.27Å
69Q97.9Very high96.9Very high69 Ų6938.1 Ų38.132%0.32222%0.22SC..  trans-102.8142.6179.8-58.1-177.6-7000110.2N67 L73 W74 V102N67-Q69 PolarHBondContact O-N 3.2Å; Q69-L73 HydrophobicContact CB-CD2 4.38Å; Q69-L73 PolarHBondContact NE2-O 3.22Å; Q69-W74 WeakPolarHBondContact CA-O 3.41Å; Q69-V102 PolarHBondContact NE2-O 3.42Å
70D98.1Very high96.9Very high5 Ų538.1 Ų38.13%0.02722%0.22CC..  trans-69.4178.9171.980.21.7000112.1D39 R41 A72 L73 W74D39-D70 WeakPolarHBondContact O-CB 3.4Å; R41-D70 HydrophobicContact CG-CB 3.53Å; R41-D70 IonicContact CZ-OD2 2.92Å; R41-D70 IonicContact NE-OD2 3.61Å; R41-D70 PolarHBondContact NE-OD2 3.21Å; R41-D70 IonicContact NH2-OD2 2.82Å; R41-D70 PolarHBondContact NH2-OD2 3.41Å; D70-A72 PolarHBondContact O-N 3.17Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 VanDerWaalsContact OD1-CA 3.31Å; D70-A72 WeakPolarHBondContact OD1-CA 3.39Å; D70-A72 WeakPolarHBondContact OD1-CB 3.48Å; D70-A72 PolarHBondContact OD1-N 2.82Å; D70-L73 VanDerWaalsContact O-CA 3.28Å; D70-L73 WeakPolarHBondContact O-CA 3.42Å; D70-L73 PolarHBondContact O-N 3.35Å; D70-L73 PolarHBondContact OD1-N 2.8Å; D70-W74 PolarHBondContact N-O 3.38Å; D70-W74 WeakPolarHBondContact OD1-CB 3.44Å; D70-W74 PolarHBondContact OD1-N 3.48Å
71D98.1Very high97Very high106 Ų10637.1 Ų37.157%0.56721%0.214SC*.THydrogen-bonded Turntrans-62.1-24-177.4-69.9-14000112.8D39 L73 Q104D39-D71 VanDerWaalsContact C-CG 3.47Å; D39-D71 PolarHBondContact O-N 2.9Å; D71-L73 PolarHBondContact O-N 3.21Å; D71-Q104 PolarHBondContact O-NE2 3.02Å
72A97.9Very high97.1Very high31 Ų3133.6 Ų33.626%0.25619%0.19SC..THydrogen-bonded Turntrans-87.110.1173.300000113.3D70 W74 Q104D70-A72 PolarHBondContact O-N 3.17Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 VanDerWaalsContact OD1-CA 3.31Å; D70-A72 WeakPolarHBondContact OD1-CA 3.39Å; D70-A72 WeakPolarHBondContact OD1-CB 3.48Å; D70-A72 PolarHBondContact OD1-N 2.82Å; A72-W74 PolarHBondContact O-N 2.98Å; A72-Q104 VanDerWaalsContact CA-CD 3.49Å; A72-Q104 WeakPolarHBondContact O-CB 3.38Å; A72-Q104 WeakPolarHBondContact O-CG 3.4Å; A72-Q104 PolarHBondContact O-N 3.19Å
73L98.4Very high97.3Very high73 Ų7331.8 Ų31.838%0.38219%0.185SC..  trans59.724.1-174-56.7177.1000113.9Q69 D70 D71 S75 N103 Q104Q69-L73 HydrophobicContact CB-CD2 4.38Å; Q69-L73 PolarHBondContact NE2-O 3.22Å; D70-L73 VanDerWaalsContact O-CA 3.28Å; D70-L73 WeakPolarHBondContact O-CA 3.42Å; D70-L73 PolarHBondContact O-N 3.35Å; D70-L73 PolarHBondContact OD1-N 2.8Å; D71-L73 PolarHBondContact O-N 3.21Å; L73-S75 PolarHBondContact O-N 2.92Å; L73-N103 HydrophobicContact CB-CB 4.41Å; L73-N103 VanDerWaalsContact O-CA 3.31Å; L73-N103 WeakPolarHBondContact O-CA 3.38Å; L73-N103 WeakPolarHBondContact O-CB 3.26Å; L73-Q104 HydrophobicContact CB-CG 4.28Å; L73-Q104 HydrophobicContact CD1-CG 4.05Å; L73-Q104 HydrophobicContact CG-CG 3.96Å
74W98.6Very high97.8Very high47 Ų4730 Ų3018%0.17817%0.166CC..  trans-80122172.8-74.562.5000110.1H45 Q69 D70 A72 H78 I79 N103 Y112H45-W74 PolarHBondContact NE2-O 3.12Å; Q69-W74 WeakPolarHBondContact CA-O 3.41Å; D70-W74 PolarHBondContact N-O 3.38Å; D70-W74 WeakPolarHBondContact OD1-CB 3.44Å; D70-W74 PolarHBondContact OD1-N 3.48Å; A72-W74 PolarHBondContact O-N 2.98Å; W74-H78 HydrophobicContact CB-CB 4.38Å; W74-H78 HydrophobicContact CD2-CB 4.07Å; W74-H78 HydrophobicContact CE3-CB 3.44Å; W74-H78 VanDerWaalsContact CE3-CB 3.44Å; W74-H78 HydrophobicContact CG-CB 4.48Å; W74-H78 HydrophobicContact CZ3-CB 4.01Å; W74-I79 HydrophobicContact CB-CG1 4.33Å; W74-I79 HydrophobicContact CE3-CG1 3.81Å; W74-N103 HydrophobicContact CG-CB 4.41Å; W74-N103 PolarHBondContact NE1-ND2 3.14Å; W74-N103 VanDerWaalsContact NE1-ND2 3.18Å; W74-Y112 AromaticContact CH2-CD1 3.79Å; W74-Y112 HydrophobicContact CH2-CD1 3.79Å; W74-Y112 HydrophobicContact CH2-CD2 4.17Å; W74-Y112 AromaticContact CH2-CE1 3.39Å; W74-Y112 HydrophobicContact CH2-CE1 3.39Å; W74-Y112 AromaticContact CH2-CE2 3.8Å; W74-Y112 HydrophobicContact CH2-CE2 3.8Å; W74-Y112 HydrophobicContact CH2-CG 4.17Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.5Å; W74-Y112 AromaticContact CZ2-CE1 3.67Å; W74-Y112 HydrophobicContact CZ2-CE1 3.67Å; W74-Y112 AromaticContact CZ2-CE2 3.92Å; W74-Y112 HydrophobicContact CZ2-CE2 3.92Å; W74-Y112 AromaticContact CZ2-CZ 3.33Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.48Å; W74-Y112 HydrophobicContact CZ3-CD2 4.44Å; W74-Y112 HydrophobicContact CZ3-CE1 4.45Å; W74-Y112 HydrophobicContact CZ3-CE2 4.33Å
75S98.5Very high98Very high1 Ų133.8 Ų33.81%0.00718%0.179CC..  trans-80.4163166.874.50000111.2L73 L77 H78 I79L73-S75 PolarHBondContact O-N 2.92Å; S75-L77 PolarHBondContact O-N 3.32Å; S75-L77 VanDerWaalsContact O-N 3.14Å; S75-L77 PolarHBondContact OG-N 3.19Å; S75-H78 PolarHBondContact N-ND1 2.78Å; S75-H78 WeakPolarHBondContact O-CB 3.31Å; S75-H78 PolarHBondContact O-N 3.21Å; S75-H78 PolarHBondContact OG-N 3.46Å; S75-H78 PolarHBondContact OG-ND1 2.87Å; S75-I79 PolarHBondContact O-N 3.21Å
76P98.6Very high98.2Very high0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-51.6-35.8171.7-3036.7000113.1L44 V66 L68 I79 A80 L92L44-P76 HydrophobicContact CD2-CB 4.06Å; L44-P76 HydrophobicContact CD2-CG 3.71Å; L44-P76 HydrophobicContact CG-CB 4.01Å; L44-P76 HydrophobicContact CG-CG 3.92Å; V66-P76 WeakPolarHBondContact O-CD 3.43Å; V66-P76 WeakPolarHBondContact O-CG 3.3Å; L68-P76 VanDerWaalsContact O-CD 3.26Å; L68-P76 WeakPolarHBondContact O-CD 3.27Å; P76-I79 PolarHBondContact O-N 2.74Å; P76-A80 WeakPolarHBondContact O-CB 3.38Å; P76-A80 PolarHBondContact O-N 2.95Å; P76-L92 HydrophobicContact CB-CD1 4.14Å; P76-L92 HydrophobicContact CB-CD2 4.07Å
77L98.8Very high98.3Very high2 Ų235.9 Ų35.91%0.0119%0.191CC..Hα-helixtrans-67.2-37.4177.7-173.561.7000112.6S75 I79 A81 V89 L92 I93 A97 L99 P109 L125S75-L77 PolarHBondContact O-N 3.32Å; S75-L77 VanDerWaalsContact O-N 3.14Å; S75-L77 PolarHBondContact OG-N 3.19Å; L77-I79 VanDerWaalsContact C-N 3.34Å; L77-A81 WeakPolarHBondContact O-CB 3.43Å; L77-A81 PolarHBondContact O-N 3.39Å; L77-V89 HydrophobicContact CD1-CB 4.44Å; L77-V89 HydrophobicContact CD1-CG1 4.04Å; L77-V89 HydrophobicContact CD1-CG2 4.19Å; L77-L92 HydrophobicContact CB-CD1 4.34Å; L77-L92 HydrophobicContact CD1-CB 4.28Å; L77-L92 HydrophobicContact CD1-CD1 4.26Å; L77-I93 HydrophobicContact CD1-CG1 4.46Å; L77-A97 HydrophobicContact CB-CB 4.29Å; L77-A97 HydrophobicContact CD2-CB 3.96Å; L77-L99 HydrophobicContact CD2-CD2 3.75Å; L77-P109 HydrophobicContact CB-CG 4.25Å; L77-P109 HydrophobicContact CD2-CB 4.38Å; L77-P109 HydrophobicContact CD2-CG 3.94Å; L77-P109 HydrophobicContact CG-CB 4.02Å; L77-P109 HydrophobicContact CG-CG 3.8Å; L77-L125 HydrophobicContact CD1-CD2 4.27Å; L77-L125 HydrophobicContact CD2-CD2 4.04Å; L77-L125 HydrophobicContact CG-CD2 4.4Å
78H98.8Very high98.4Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-60.8-46.1172.9-70.985.7000111.2W74 S75 S82 S101 C107W74-H78 HydrophobicContact CB-CB 4.38Å; W74-H78 HydrophobicContact CD2-CB 4.07Å; W74-H78 HydrophobicContact CE3-CB 3.44Å; W74-H78 VanDerWaalsContact CE3-CB 3.44Å; W74-H78 HydrophobicContact CG-CB 4.48Å; W74-H78 HydrophobicContact CZ3-CB 4.01Å; S75-H78 PolarHBondContact N-ND1 2.78Å; S75-H78 WeakPolarHBondContact O-CB 3.31Å; S75-H78 PolarHBondContact O-N 3.21Å; S75-H78 PolarHBondContact OG-N 3.46Å; S75-H78 PolarHBondContact OG-ND1 2.87Å; H78-S82 WeakPolarHBondContact O-CB 3.28Å; H78-S82 PolarHBondContact O-N 3.41Å; H78-S101 PolarHBondContact CE1-O 3.18Å; H78-S101 PolarHBondContact NE2-O 3.32Å; H78-C107 PolarHBondContact NE2-O 3.23Å
79I98.7Very high98.5Very high12 Ų1232.5 Ų32.56%0.06217%0.173CC..Hα-helixtrans-63-50.8-179.3-64.2178.9000110H45 C48 S49 W74 S75 P76 L77 A81 S82 A83H45-I79 HydrophobicContact CB-CD1 3.79Å; C48-I79 HydrophobicContact CB-CB 4.44Å; C48-I79 HydrophobicContact CB-CG2 4.15Å; S49-I79 VanDerWaalsContact CA-CG2 3.46Å; W74-I79 HydrophobicContact CB-CG1 4.33Å; W74-I79 HydrophobicContact CE3-CG1 3.81Å; S75-I79 PolarHBondContact O-N 3.21Å; P76-I79 PolarHBondContact O-N 2.74Å; L77-I79 VanDerWaalsContact C-N 3.34Å; I79-A81 PolarHBondContact O-N 3.27Å; I79-S82 PolarHBondContact O-N 3.22Å; I79-A83 VanDerWaalsContact O-CB 3.22Å; I79-A83 WeakPolarHBondContact O-CB 3.42Å; I79-A83 PolarHBondContact O-N 2.82Å
80A98.8Very high98.5Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-61.4-43.7-179.700000112.2C48 P76 A83 G84 R85 I88 V89 L92C48-A80 HydrophobicContact CB-CB 4.26Å; P76-A80 WeakPolarHBondContact O-CB 3.38Å; P76-A80 PolarHBondContact O-N 2.95Å; A80-A83 PolarHBondContact O-N 3.47Å; A80-G84 PolarHBondContact O-N 3.07Å; A80-R85 HydrophobicContact CB-CB 4.38Å; A80-R85 PolarHBondContact O-N 3.36Å; A80-I88 HydrophobicContact CB-CB 4.49Å; A80-I88 HydrophobicContact CB-CG2 3.66Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; A80-L92 HydrophobicContact CB-CD1 3.9Å
81A98.8Very high98.5Very high0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-64.2-44.3177.700000112.2L77 I79 G84 P109 I121L77-A81 WeakPolarHBondContact O-CB 3.43Å; L77-A81 PolarHBondContact O-N 3.39Å; I79-A81 PolarHBondContact O-N 3.27Å; A81-G84 PolarHBondContact O-N 3Å; A81-P109 HydrophobicContact CB-CB 3.9Å; A81-I121 HydrophobicContact CB-CG2 3.83Å
82S98.5Very high98.6Very high17 Ų1732 Ų3212%0.11916%0.164CC..Hα-helixtrans-64.8-42176.3-177.50000112.3H78 I79 G84 K116H78-S82 WeakPolarHBondContact O-CB 3.28Å; H78-S82 PolarHBondContact O-N 3.41Å; I79-S82 PolarHBondContact O-N 3.22Å; S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 3.27Å; S82-K116 WeakPolarHBondContact O-CD 3.33Å; S82-K116 VanDerWaalsContact OG-CE 3.26Å; S82-K116 WeakPolarHBondContact OG-CE 2.97Å
83A98.1Very high98.6Very high30 Ų3031.8 Ų31.825%0.24816%0.158CC..Hα-helixtrans-74.6-16.9-179.500000113.4I79 A80 R85 R118I79-A83 VanDerWaalsContact O-CB 3.22Å; I79-A83 WeakPolarHBondContact O-CB 3.42Å; I79-A83 PolarHBondContact O-N 2.82Å; A80-A83 PolarHBondContact O-N 3.47Å; A83-R85 HydrophobicContact CB-CG 3.93Å; A83-R118 PolarHBondContact O-NH2 3.12Å
84G98.3Very high98.6Very high21 Ų2131.7 Ų31.722%0.21618%0.175CC..THydrogen-bonded Turntrans82.134.1-178.600000113.2A80 A81 S82 E86 I121A80-G84 PolarHBondContact O-N 3.07Å; A81-G84 PolarHBondContact O-N 3Å; S82-G84 VanDerWaalsContact C-N 3.29Å; S82-G84 PolarHBondContact O-N 3.27Å; G84-E86 PolarHBondContact O-N 2.9Å; G84-I121 VanDerWaalsContact CA-CD1 3.49Å
85R98.4Very high98.5Very high91 Ų9132.2 Ų32.234%0.34319%0.186SC..  trans-9584.1-177.6-49.8-51.7-175.2177.73111.3C48 S49 A50 A80 A83 I88 V89C48-R85 WeakPolarHBondContact O-CG 3.4Å; S49-R85 PolarHBondContact O-NE 2.94Å; S49-R85 PolarHBondContact O-NH2 3.37Å; A50-R85 PolarHBondContact O-NH2 3.35Å; A50-R85 VanDerWaalsContact O-NH2 3.1Å; A80-R85 HydrophobicContact CB-CB 4.38Å; A80-R85 PolarHBondContact O-N 3.36Å; A83-R85 HydrophobicContact CB-CG 3.93Å; R85-I88 HydrophobicContact CB-CB 3.82Å; R85-I88 HydrophobicContact CB-CD1 3.96Å; R85-I88 HydrophobicContact CB-CG1 4.32Å; R85-I88 HydrophobicContact CB-CG2 4.45Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.87Å; R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.41Å
86E98.5Very high98.5Very high80 Ų8034.4 Ų34.437%0.37421%0.208SC..Hα-helixtrans-57.8-52-173.9-69.7170.8-144.600113.8G84 I88 V89 R90 E120 I121 M124G84-E86 PolarHBondContact O-N 2.9Å; E86-I88 VanDerWaalsContact C-N 3.29Å; E86-I88 PolarHBondContact O-N 3.29Å; E86-V89 WeakPolarHBondContact O-CB 3.45Å; E86-V89 PolarHBondContact O-N 3Å; E86-R90 PolarHBondContact O-N 3.42Å; E86-E120 HydrophobicContact CG-CB 4Å; E86-I121 HydrophobicContact CG-CD1 4.33Å; E86-I121 HydrophobicContact CG-CG1 3.84Å; E86-M124 HydrophobicContact CB-CE 4.08Å; E86-M124 HydrophobicContact CG-CE 4.34Å
87D98.6Very high98.5Very high96 Ų9634.9 Ų34.951%0.51321%0.212SC..Hα-helixtrans-62.9-38.4-178.8-64.2-33.1000112.1T53 R90 S91T53-D87 HydrophobicContact CG2-CB 4.02Å; D87-R90 WeakPolarHBondContact O-CB 3.48Å; D87-R90 PolarHBondContact O-N 3.35Å; D87-S91 PolarHBondContact O-N 3.46Å; D87-S91 PolarHBondContact O-OG 2.99Å
88I98.8Very high98.5Very high1 Ų140 Ų401%0.00524%0.237CC..Hα-helixtrans-67-42.8176.5-72.3168.6000110.6C48 T53 V56 A80 R85 E86 R90 S91 L92C48-I88 HydrophobicContact CB-CG2 4.19Å; C48-I88 VanDerWaalsContact SG-CG2 3.58Å; T53-I88 HydrophobicContact CG2-CG1 4.5Å; V56-I88 HydrophobicContact CB-CG1 4.23Å; V56-I88 HydrophobicContact CG1-CG1 4.42Å; V56-I88 HydrophobicContact CG1-CG2 4.21Å; V56-I88 HydrophobicContact CG2-CD1 3.87Å; V56-I88 HydrophobicContact CG2-CG1 3.91Å; V56-I88 HydrophobicContact CG2-CG2 4.14Å; A80-I88 HydrophobicContact CB-CB 4.49Å; A80-I88 HydrophobicContact CB-CG2 3.66Å; R85-I88 HydrophobicContact CB-CB 3.82Å; R85-I88 HydrophobicContact CB-CD1 3.96Å; R85-I88 HydrophobicContact CB-CG1 4.32Å; R85-I88 HydrophobicContact CB-CG2 4.45Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.87Å; E86-I88 VanDerWaalsContact C-N 3.29Å; E86-I88 PolarHBondContact O-N 3.29Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.15Å; I88-S91 PolarHBondContact O-N 2.91Å; I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CB 3.35Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.23Å; I88-L92 PolarHBondContact O-N 3.41Å
89V98.8Very high98.5Very high0 Ų041.1 Ų41.10%024%0.242CC..Hα-helixtrans-57.4-46173.9166.30000110.2L77 A80 R85 E86 S91 L92 I93 I121 M124L77-V89 HydrophobicContact CD1-CB 4.44Å; L77-V89 HydrophobicContact CD1-CG1 4.04Å; L77-V89 HydrophobicContact CD1-CG2 4.19Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; R85-V89 WeakPolarHBondContact O-CG2 3.35Å; R85-V89 PolarHBondContact O-N 3.41Å; E86-V89 WeakPolarHBondContact O-CB 3.45Å; E86-V89 PolarHBondContact O-N 3Å; V89-S91 PolarHBondContact O-N 3.46Å; V89-L92 PolarHBondContact O-N 3.19Å; V89-I93 HydrophobicContact CG1-CD1 3.7Å; V89-I93 HydrophobicContact CG1-CG1 4.29Å; V89-I93 VanDerWaalsContact O-CG1 3.27Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 3.36Å; V89-I121 HydrophobicContact CG1-CG2 4.28Å; V89-I121 HydrophobicContact CG2-CD1 4.06Å; V89-I121 HydrophobicContact CG2-CG1 4.26Å; V89-I121 HydrophobicContact CG2-CG2 4.07Å; V89-M124 HydrophobicContact CB-CE 4.27Å; V89-M124 HydrophobicContact CG1-CE 4.05Å
90R98.7Very high98.5Very high142 Ų14244.2 Ų44.254%0.53626%0.259SS..Hα-helixtrans-57.3-47.9177.3-169.8-173.5-52.7-70.9-4.9111.7E86 D87 I88 I93 G94 M124E86-R90 PolarHBondContact O-N 3.42Å; D87-R90 WeakPolarHBondContact O-CB 3.48Å; D87-R90 PolarHBondContact O-N 3.35Å; I88-R90 VanDerWaalsContact C-N 3.29Å; I88-R90 PolarHBondContact O-N 3.15Å; R90-I93 PolarHBondContact O-N 3.21Å; R90-G94 PolarHBondContact O-N 2.89Å; R90-M124 HydrophobicContact CB-SD 4.14Å
91S98.5Very high98.4Very high27 Ų2744.8 Ų44.819%0.18926%0.263CS..Hα-helixtrans-65-39.6178.6-63.40000112.7D87 I88 V89 G94 S95D87-S91 PolarHBondContact O-N 3.46Å; D87-S91 PolarHBondContact O-OG 2.99Å; I88-S91 PolarHBondContact O-N 2.91Å; V89-S91 PolarHBondContact O-N 3.46Å; S91-G94 PolarHBondContact O-N 3.46Å; S91-S95 WeakPolarHBondContact O-CB 3.38Å; S91-S95 PolarHBondContact O-N 2.93Å; S91-S95 PolarHBondContact O-OG 2.97Å
92L98.6Very high98.4Very high0 Ų048 Ų480%028%0.283CS..Hα-helixtrans-64.7-45.2176.7-70.8173.2000111.7L44 L60 V66 P76 L77 A80 I88 V89 S95 G96 A97L44-L92 HydrophobicContact CD1-CD2 4.38Å; L44-L92 HydrophobicContact CD2-CD2 4.32Å; L60-L92 HydrophobicContact CD2-CD2 4.31Å; V66-L92 HydrophobicContact CG1-CD2 3.75Å; P76-L92 HydrophobicContact CB-CD1 4.14Å; P76-L92 HydrophobicContact CB-CD2 4.07Å; L77-L92 HydrophobicContact CB-CD1 4.34Å; L77-L92 HydrophobicContact CD1-CB 4.28Å; L77-L92 HydrophobicContact CD1-CD1 4.26Å; A80-L92 HydrophobicContact CB-CD1 3.9Å; I88-L92 HydrophobicContact CG2-CD1 3.86Å; I88-L92 HydrophobicContact CG2-CG 4.22Å; I88-L92 WeakPolarHBondContact O-CB 3.35Å; I88-L92 VanDerWaalsContact O-CG 3.23Å; I88-L92 WeakPolarHBondContact O-CG 3.23Å; I88-L92 PolarHBondContact O-N 3.41Å; V89-L92 PolarHBondContact O-N 3.19Å; L92-S95 CarbonylContact O-C 3.47Å; L92-S95 PolarHBondContact O-N 3.47Å; L92-G96 PolarHBondContact O-N 3.25Å; L92-A97 HydrophobicContact CB-CB 3.97Å; L92-A97 WeakPolarHBondContact O-CB 3.36Å; L92-A97 PolarHBondContact O-N 3.17Å
93I98.6Very high98.4Very high27 Ų2747.4 Ų47.414%0.13828%0.278CS..Hα-helixtrans-60.6-46.9176.1-66.3173.9000110.1L77 V89 R90 S95 G96 L99 M124 L125 N128L77-I93 HydrophobicContact CD1-CG1 4.46Å; V89-I93 HydrophobicContact CG1-CD1 3.7Å; V89-I93 HydrophobicContact CG1-CG1 4.29Å; V89-I93 VanDerWaalsContact O-CG1 3.27Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 3.36Å; R90-I93 PolarHBondContact O-N 3.21Å; I93-S95 PolarHBondContact O-N 3.19Å; I93-G96 PolarHBondContact O-N 2.9Å; I93-L99 HydrophobicContact CD1-CD2 4.25Å; I93-L99 HydrophobicContact CG1-CD2 3.78Å; I93-M124 HydrophobicContact CD1-CB 4.31Å; I93-L125 HydrophobicContact CD1-CD2 4.21Å; I93-N128 HydrophobicContact CG2-CB 4.05Å
94G98Very high98.4Very high71 Ų7150.5 Ų50.573%0.73229%0.287SS*.Hα-helixtrans-60-26.4177.400000114R90 S91R90-G94 PolarHBondContact O-N 2.89Å; S91-G94 PolarHBondContact O-N 3.46Å
95S98.1Very high98.4Very high58 Ų5854 Ų5441%0.40630%0.301SS..THydrogen-bonded Turntrans-9514.6176.4-63.50000114S91 L92 I93S91-S95 WeakPolarHBondContact O-CB 3.38Å; S91-S95 PolarHBondContact O-N 2.93Å; S91-S95 PolarHBondContact O-OG 2.97Å; L92-S95 CarbonylContact O-C 3.47Å; L92-S95 PolarHBondContact O-N 3.47Å; I93-S95 PolarHBondContact O-N 3.19Å
96G97.6Very high98.4Very high47 Ų4750.1 Ų50.149%0.48529%0.289SS..THydrogen-bonded Turntrans82.930.5173.500000114.9N67 L92 I93 Q98N67-G96 PolarHBondContact ND2-O 3.43Å; N67-G96 VanDerWaalsContact ND2-O 3.08Å; L92-G96 PolarHBondContact O-N 3.25Å; I93-G96 PolarHBondContact O-N 2.9Å; G96-Q98 PolarHBondContact O-N 3.24Å
97A98.4Very high98.4Very high10 Ų1046.7 Ų46.78%0.08327%0.274CS..  trans-61.8135.2171.100000111.6V66 N67 L77 L92 L99V66-A97 HydrophobicContact CG1-CB 3.93Å; N67-A97 VanDerWaalsContact OD1-CA 3.31Å; N67-A97 WeakPolarHBondContact OD1-CA 3.38Å; L77-A97 HydrophobicContact CB-CB 4.29Å; L77-A97 HydrophobicContact CD2-CB 3.96Å; L92-A97 HydrophobicContact CB-CB 3.97Å; L92-A97 WeakPolarHBondContact O-CB 3.36Å; L92-A97 PolarHBondContact O-N 3.17Å; A97-L99 PolarHBondContact O-N 3.05Å
98Q98.6Very high98.4Very high111 Ų11142.3 Ų42.352%0.51925%0.25SS..  trans-74.6114.7176.4-72.2175.718.300110.2N67 G96 N100 S101N67-Q98 PolarHBondContact OD1-N 3.36Å; G96-Q98 PolarHBondContact O-N 3.24Å; Q98-N100 VanDerWaalsContact C-N 3.33Å; Q98-N100 PolarHBondContact O-N 3.21Å; Q98-S101 WeakPolarHBondContact CB-OG 3.25Å; Q98-S101 PolarHBondContact OE1-OG 2.86Å
99L98.6Very high98.4Very high22 Ų2242.2 Ų42.212%0.11525%0.25CS..THydrogen-bonded Turntrans-74.3-25-174.4-49.3-175.7000113.7L77 I93 A97 P109 L125 N128 A130L77-L99 HydrophobicContact CD2-CD2 3.75Å; I93-L99 HydrophobicContact CD1-CD2 4.25Å; I93-L99 HydrophobicContact CG1-CD2 3.78Å; A97-L99 PolarHBondContact O-N 3.05Å; L99-P109 WeakPolarHBondContact O-CD 3.46Å; L99-L125 HydrophobicContact CD2-CD2 4.07Å; L99-N128 VanDerWaalsContact CD1-C 3.44Å; L99-N128 HydrophobicContact CD1-CB 3.63Å; L99-N128 WeakPolarHBondContact CD1-O 3.43Å; L99-A130 HydrophobicContact CB-CB 4.11Å; L99-A130 HydrophobicContact CD1-CB 4.48Å
100N98.4Very high98.4Very high77 Ų7742.2 Ų42.241%0.41225%0.25SS..THydrogen-bonded Turntrans-111.413.3-174.3-61.9-45.2000112.8Q98 G129 A130 D131Q98-N100 VanDerWaalsContact C-N 3.33Å; Q98-N100 PolarHBondContact O-N 3.21Å; N100-G129 PolarHBondContact ND2-O 3.22Å; N100-A130 WeakPolarHBondContact OD1-CA 3.49Å; N100-D131 PolarHBondContact OD1-N 3.33Å
101S97.8Very high98.4Very high13 Ų1335.6 Ų35.69%0.09123%0.225CC..  trans-59.6146.1168.5-55.20000109.5H78 Q98 T108H78-S101 PolarHBondContact CE1-O 3.18Å; H78-S101 PolarHBondContact NE2-O 3.32Å; Q98-S101 WeakPolarHBondContact CB-OG 3.25Å; Q98-S101 PolarHBondContact OE1-OG 2.86Å; S101-T108 WeakPolarHBondContact O-CA 3.36Å
102V98.5Very high98.4Very high68 Ų6835.8 Ų35.841%0.41222%0.222SC..  trans-115.4143.5180-64.90000110.3Q69 G106 C107 T108Q69-V102 PolarHBondContact NE2-O 3.42Å; V102-G106 WeakPolarHBondContact CG1-O 3.18Å; V102-C107 WeakPolarHBondContact CA-O 3.49Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å
103N98.5Very high98.4Very high3 Ų335.8 Ų35.82%0.01622%0.222CC..  trans-86.7-173.2170.973.85.2000112.4L73 W74 N105 G106 C107 Y112L73-N103 HydrophobicContact CB-CB 4.41Å; L73-N103 VanDerWaalsContact O-CA 3.31Å; L73-N103 WeakPolarHBondContact O-CA 3.38Å; L73-N103 WeakPolarHBondContact O-CB 3.26Å; W74-N103 HydrophobicContact CG-CB 4.41Å; W74-N103 PolarHBondContact NE1-ND2 3.14Å; W74-N103 VanDerWaalsContact NE1-ND2 3.18Å; N103-N105 PolarHBondContact O-N 3.07Å; N103-N105 WeakPolarHBondContact OD1-CA 3.32Å; N103-N105 WeakPolarHBondContact OD1-CB 3.41Å; N103-N105 PolarHBondContact OD1-N 2.97Å; N103-G106 PolarHBondContact O-N 3.16Å; N103-G106 PolarHBondContact OD1-N 3.4Å; N103-C107 PolarHBondContact N-O 2.94Å; N103-C107 VanDerWaalsContact N-O 3.07Å; N103-C107 PolarHBondContact OD1-N 2.84Å; N103-C107 VanDerWaalsContact OD1-N 3.14Å; N103-C107 PolarHBondContact OD1-O 2.99Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.35Å; N103-Y112 PolarHBondContact ND2-OH 3.46Å
104Q98.4Very high98.4Very high96 Ų9634.5 Ų34.545%0.44922%0.216SC..THydrogen-bonded Turntrans-57.3-22179.6-83-177.6-5.900114.2D71 A72 L73 K137D71-Q104 PolarHBondContact O-NE2 3.02Å; A72-Q104 VanDerWaalsContact CA-CD 3.49Å; A72-Q104 WeakPolarHBondContact O-CB 3.38Å; A72-Q104 WeakPolarHBondContact O-CG 3.4Å; A72-Q104 PolarHBondContact O-N 3.19Å; L73-Q104 HydrophobicContact CB-CG 4.28Å; L73-Q104 HydrophobicContact CD1-CG 4.05Å; L73-Q104 HydrophobicContact CG-CG 3.96Å; Q104-K137 WeakPolarHBondContact O-CD 3.45Å; Q104-K137 WeakPolarHBondContact O-CE 3.45Å; Q104-K137 PolarHBondContact O-NZ 3.21Å
105N98.1Very high98.4Very high95 Ų9532.9 Ų32.951%0.50819%0.193SC..THydrogen-bonded Turntrans-91.60.3177.4-63.6-34.6000113N103 C107 K137N103-N105 PolarHBondContact O-N 3.07Å; N103-N105 WeakPolarHBondContact OD1-CA 3.32Å; N103-N105 WeakPolarHBondContact OD1-CB 3.41Å; N103-N105 PolarHBondContact OD1-N 2.97Å; N105-C107 PolarHBondContact O-N 3.35Å; N105-K137 WeakPolarHBondContact O-CB 3.14Å; N105-K137 WeakPolarHBondContact O-CG 3.45Å; N105-K137 PolarHBondContact O-N 2.88Å
106G98.5Very high98.4Very high9 Ų934.9 Ų34.99%0.09319%0.194CC..SBendtrans78.11.5-171.300000113.4V102 N103 D136V102-G106 WeakPolarHBondContact CG1-O 3.18Å; N103-G106 PolarHBondContact O-N 3.16Å; N103-G106 PolarHBondContact OD1-N 3.4Å; G106-D136 WeakPolarHBondContact O-CA 3.47Å
107C98.8Very high98.4Very high8 Ų836.5 Ų36.55%0.05419%0.192CC..  trans-76.7134.6-177.7-66.60000110.3H78 V102 N103 N105 H111 Y112H78-C107 PolarHBondContact NE2-O 3.23Å; V102-C107 WeakPolarHBondContact CA-O 3.49Å; N103-C107 PolarHBondContact N-O 2.94Å; N103-C107 VanDerWaalsContact N-O 3.07Å; N103-C107 PolarHBondContact OD1-N 2.84Å; N103-C107 VanDerWaalsContact OD1-N 3.14Å; N103-C107 PolarHBondContact OD1-O 2.99Å; N105-C107 PolarHBondContact O-N 3.35Å; C107-H111 HydrophobicContact CB-CB 4.04Å; C107-Y112 HydrophobicContact CB-CD2 4.28Å; C107-Y112 HydrophobicContact CB-CE2 3.49Å; C107-Y112 VanDerWaalsContact CB-CE2 3.49Å
108T98.9Very high98.4Very high3 Ų340.5 Ų40.52%0.01821%0.205CC..  trans-85.6167.7167.168.50000111.4S101 V102 L110 H111 Y112 A134S101-T108 WeakPolarHBondContact O-CA 3.36Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å; T108-L110 PolarHBondContact O-N 2.94Å; T108-L110 PolarHBondContact OG1-N 3.44Å; T108-H111 PolarHBondContact N-ND1 3.38Å; T108-H111 VanDerWaalsContact N-ND1 3.14Å; T108-H111 WeakPolarHBondContact O-CB 3.48Å; T108-H111 PolarHBondContact O-N 2.97Å; T108-H111 VanDerWaalsContact O-N 3.07Å; T108-H111 PolarHBondContact OG1-ND1 2.91Å; T108-Y112 WeakPolarHBondContact O-CD2 3.36Å; T108-A134 HydrophobicContact CG2-CB 3.81Å
109P98.8Very high98.4Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-53.5-34.9171.5-27.336.2000113.6L77 A81 L99 H111 Y112 A113 L125L77-P109 HydrophobicContact CB-CG 4.25Å; L77-P109 HydrophobicContact CD2-CB 4.38Å; L77-P109 HydrophobicContact CD2-CG 3.94Å; L77-P109 HydrophobicContact CG-CB 4.02Å; L77-P109 HydrophobicContact CG-CG 3.8Å; A81-P109 HydrophobicContact CB-CB 3.9Å; L99-P109 WeakPolarHBondContact O-CD 3.46Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 3.27Å; P109-Y112 PolarHBondContact O-N 3.38Å; P109-Y112 VanDerWaalsContact O-N 3.16Å; P109-A113 PolarHBondContact O-N 3.49Å; P109-L125 HydrophobicContact CB-CD1 4.06Å; P109-L125 HydrophobicContact CB-CD2 4.43Å
110L98.9Very high98.5Very high0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-64.9-32.6178.7-175.160.5000112.7T108 Y112 A113 A114 A122 L125 L126 A130 P142 L158T108-L110 PolarHBondContact O-N 2.94Å; T108-L110 PolarHBondContact OG1-N 3.44Å; L110-Y112 VanDerWaalsContact C-N 3.31Å; L110-Y112 PolarHBondContact O-N 3.38Å; L110-A113 PolarHBondContact O-N 3.05Å; L110-A114 VanDerWaalsContact O-CB 3.23Å; L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.94Å; L110-A122 HydrophobicContact CD1-CB 3.85Å; L110-L125 HydrophobicContact CB-CD1 4.23Å; L110-L125 HydrophobicContact CD1-CB 4.42Å; L110-L125 HydrophobicContact CD1-CD1 4.34Å; L110-L126 HydrophobicContact CD1-CD1 4.34Å; L110-L126 HydrophobicContact CD1-CG 4.18Å; L110-L126 HydrophobicContact CD2-CD2 3.66Å; L110-L126 HydrophobicContact CD2-CG 4.16Å; L110-A130 HydrophobicContact CD2-CB 4.33Å; L110-P142 HydrophobicContact CB-CG 4.22Å; L110-P142 HydrophobicContact CD2-CB 4.25Å; L110-P142 HydrophobicContact CD2-CG 3.85Å; L110-P142 HydrophobicContact CG-CB 3.93Å; L110-P142 HydrophobicContact CG-CG 3.74Å; L110-L158 HydrophobicContact CD1-CD2 4.48Å; L110-L158 HydrophobicContact CD2-CD2 4.24Å
111H98.9Very high98.5Very high3 Ų338.4 Ų38.41%0.01419%0.189CC..Hα-helixtrans-61.8-41.1173.4-70.779.3000111.7C107 T108 P109 A114 S115 A134 S140C107-H111 HydrophobicContact CB-CB 4.04Å; T108-H111 PolarHBondContact N-ND1 3.38Å; T108-H111 VanDerWaalsContact N-ND1 3.14Å; T108-H111 WeakPolarHBondContact O-CB 3.48Å; T108-H111 PolarHBondContact O-N 2.97Å; T108-H111 VanDerWaalsContact O-N 3.07Å; T108-H111 PolarHBondContact OG1-ND1 2.91Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 3.27Å; H111-A114 PolarHBondContact O-N 3.46Å; H111-S115 WeakPolarHBondContact O-CB 3.35Å; H111-S115 PolarHBondContact O-N 3.49Å; H111-S115 PolarHBondContact O-OG 2.9Å; H111-A134 PolarHBondContact CE1-O 3.49Å; H111-A134 PolarHBondContact NE2-O 3.29Å; H111-S140 PolarHBondContact NE2-O 3.42Å
112Y98.6Very high98.5Very high31 Ų3137.8 Ų37.812%0.12219%0.185CC..Hα-helixtrans-72.5-43.7179.4-72-72.2000112.1W74 N103 C107 T108 P109 L110 A114 S115 K116W74-Y112 AromaticContact CH2-CD1 3.79Å; W74-Y112 HydrophobicContact CH2-CD1 3.79Å; W74-Y112 HydrophobicContact CH2-CD2 4.17Å; W74-Y112 AromaticContact CH2-CE1 3.39Å; W74-Y112 HydrophobicContact CH2-CE1 3.39Å; W74-Y112 AromaticContact CH2-CE2 3.8Å; W74-Y112 HydrophobicContact CH2-CE2 3.8Å; W74-Y112 HydrophobicContact CH2-CG 4.17Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.5Å; W74-Y112 AromaticContact CZ2-CE1 3.67Å; W74-Y112 HydrophobicContact CZ2-CE1 3.67Å; W74-Y112 AromaticContact CZ2-CE2 3.92Å; W74-Y112 HydrophobicContact CZ2-CE2 3.92Å; W74-Y112 AromaticContact CZ2-CZ 3.33Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.48Å; W74-Y112 HydrophobicContact CZ3-CD2 4.44Å; W74-Y112 HydrophobicContact CZ3-CE1 4.45Å; W74-Y112 HydrophobicContact CZ3-CE2 4.33Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.35Å; N103-Y112 PolarHBondContact ND2-OH 3.46Å; C107-Y112 HydrophobicContact CB-CD2 4.28Å; C107-Y112 HydrophobicContact CB-CE2 3.49Å; C107-Y112 VanDerWaalsContact CB-CE2 3.49Å; T108-Y112 WeakPolarHBondContact O-CD2 3.36Å; P109-Y112 PolarHBondContact O-N 3.38Å; P109-Y112 VanDerWaalsContact O-N 3.16Å; L110-Y112 VanDerWaalsContact C-N 3.31Å; L110-Y112 PolarHBondContact O-N 3.38Å; Y112-A114 PolarHBondContact O-N 3.14Å; Y112-S115 PolarHBondContact O-N 2.99Å; Y112-S115 PolarHBondContact O-OG 2.75Å; Y112-S115 VanDerWaalsContact O-OG 3.13Å; Y112-K116 WeakPolarHBondContact O-CB 3.41Å; Y112-K116 PolarHBondContact O-N 2.95Å; Y112-K116 VanDerWaalsContact O-N 3.15Å
113A98.7Very high98.5Very high0 Ų036.8 Ų36.80%018%0.177CC..Hα-helixtrans-55.1-41.8170.800000110.6P109 L110 D117 R118 I121 A122 L125P109-A113 PolarHBondContact O-N 3.49Å; L110-A113 PolarHBondContact O-N 3.05Å; A113-D117 PolarHBondContact O-N 3.49Å; A113-R118 HydrophobicContact CB-CB 4.09Å; A113-R118 PolarHBondContact O-N 3.07Å; A113-I121 HydrophobicContact CB-CB 4.41Å; A113-I121 HydrophobicContact CB-CG2 3.91Å; A113-A122 HydrophobicContact CB-CB 4.21Å; A113-L125 HydrophobicContact CB-CD1 4.32Å
114A98.5Very high98.5Very high0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-71.5-44.4-177.600000115.1L110 H111 Y112 K116 P142 R145 A146 N151 L154L110-A114 VanDerWaalsContact O-CB 3.23Å; L110-A114 WeakPolarHBondContact O-CB 3.39Å; L110-A114 PolarHBondContact O-N 2.94Å; H111-A114 PolarHBondContact O-N 3.46Å; Y112-A114 PolarHBondContact O-N 3.14Å; A114-K116 VanDerWaalsContact C-N 3.26Å; A114-K116 PolarHBondContact O-N 2.8Å; A114-P142 HydrophobicContact CB-CB 3.89Å; A114-P142 WeakPolarHBondContact CB-O 3.48Å; A114-R145 HydrophobicContact CB-CB 4.48Å; A114-A146 HydrophobicContact CB-CB 4.48Å; A114-N151 PolarHBondContact O-ND2 2.96Å; A114-L154 HydrophobicContact CB-CD2 3.58Å
115S97.6Very high98.6Very high36 Ų3632.7 Ų32.725%0.25216%0.158SC..Hα-helixtrans-67.1-24.9178.262.20000113.9H111 Y112H111-S115 WeakPolarHBondContact O-CB 3.35Å; H111-S115 PolarHBondContact O-N 3.49Å; H111-S115 PolarHBondContact O-OG 2.9Å; Y112-S115 PolarHBondContact O-N 2.99Å; Y112-S115 PolarHBondContact O-OG 2.75Å; Y112-S115 VanDerWaalsContact O-OG 3.13Å
116K97.9Very high98.6Very high101 Ų10128.7 Ų28.744%0.43914%0.136SC..THydrogen-bonded Turntrans-106.811.4-177.3-67.9179.5174.7-90.50114.2S82 Y112 A114 R118S82-K116 WeakPolarHBondContact O-CD 3.33Å; S82-K116 VanDerWaalsContact OG-CE 3.26Å; S82-K116 WeakPolarHBondContact OG-CE 2.97Å; Y112-K116 WeakPolarHBondContact O-CB 3.41Å; Y112-K116 PolarHBondContact O-N 2.95Å; Y112-K116 VanDerWaalsContact O-N 3.15Å; A114-K116 VanDerWaalsContact C-N 3.26Å; A114-K116 PolarHBondContact O-N 2.8Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-R118 HydrophobicContact CB-CG 4.09Å; K116-R118 PolarHBondContact O-N 3.18Å
117D97.9Very high98.6Very high81 Ų8134.3 Ų34.343%0.43316%0.16SC..THydrogen-bonded Turntrans54.845179.1-158.632.6000113.6A113 Y119 N151A113-D117 PolarHBondContact O-N 3.49Å; D117-Y119 PolarHBondContact O-N 2.75Å; D117-N151 WeakPolarHBondContact OD1-CB 3.46Å
118R98.6Very high98.6Very high93 Ų9338.3 Ų38.335%0.35118%0.181SC..  trans-91.276.4176.7-51.1-52.5-166.6-173.15.3110A83 A113 K116 E120 I121 A122A83-R118 PolarHBondContact O-NH2 3.12Å; A113-R118 HydrophobicContact CB-CB 4.09Å; A113-R118 PolarHBondContact O-N 3.07Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-R118 HydrophobicContact CB-CG 4.09Å; K116-R118 PolarHBondContact O-N 3.18Å; R118-E120 PolarHBondContact O-N 2.98Å; R118-I121 HydrophobicContact CB-CB 3.95Å; R118-I121 HydrophobicContact CB-CD1 4.12Å; R118-I121 HydrophobicContact CB-CG1 4.32Å; R118-I121 HydrophobicContact CG-CD1 4.49Å; R118-I121 PolarHBondContact O-N 3.24Å; R118-A122 WeakPolarHBondContact O-CB 3.4Å; R118-A122 PolarHBondContact O-N 3.1Å
119Y98.6Very high98.5Very high75 Ų7540.6 Ų40.629%0.29421%0.205SC..Hα-helixtrans-57.4-51.8-173179.5-90.2000113.1D117 I121 A122 L123 R153 L154 L157D117-Y119 PolarHBondContact O-N 2.75Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 2.93Å; Y119-A122 PolarHBondContact O-N 3.43Å; Y119-L123 HydrophobicContact CE1-CD2 4.31Å; Y119-L123 WeakPolarHBondContact O-CB 3.26Å; Y119-L123 PolarHBondContact O-N 2.89Å; Y119-R153 HydrophobicContact CD2-CB 4.11Å; Y119-R153 HydrophobicContact CE2-CB 4.24Å; Y119-L154 HydrophobicContact CD2-CD1 4.3Å; Y119-L157 HydrophobicContact CD2-CD2 4.13Å; Y119-L157 HydrophobicContact CE2-CB 3.87Å; Y119-L157 HydrophobicContact CE2-CD2 3.91Å; Y119-L157 HydrophobicContact CE2-CG 4.42Å
120E98.7Very high98.5Very high90 Ų9040.8 Ų40.842%0.42121%0.207SC..Hα-helixtrans-62.9-38-176.6-69.169.2-153.100111.1E86 R118 M124E86-E120 HydrophobicContact CG-CB 4Å; R118-E120 PolarHBondContact O-N 2.98Å; E120-M124 WeakPolarHBondContact O-CG 3.36Å; E120-M124 PolarHBondContact O-N 3.48Å
121I98.9Very high98.5Very high2 Ų244.1 Ų44.11%0.0123%0.225CC..Hα-helixtrans-69.1-46.1175.9-65.5-179.7000111.1A81 G84 E86 V89 A113 R118 Y119 L123 M124 L125A81-I121 HydrophobicContact CB-CG2 3.83Å; G84-I121 VanDerWaalsContact CA-CD1 3.49Å; E86-I121 HydrophobicContact CG-CD1 4.33Å; E86-I121 HydrophobicContact CG-CG1 3.84Å; V89-I121 HydrophobicContact CG1-CG2 4.28Å; V89-I121 HydrophobicContact CG2-CD1 4.06Å; V89-I121 HydrophobicContact CG2-CG1 4.26Å; V89-I121 HydrophobicContact CG2-CG2 4.07Å; A113-I121 HydrophobicContact CB-CB 4.41Å; A113-I121 HydrophobicContact CB-CG2 3.91Å; R118-I121 HydrophobicContact CB-CB 3.95Å; R118-I121 HydrophobicContact CB-CD1 4.12Å; R118-I121 HydrophobicContact CB-CG1 4.32Å; R118-I121 HydrophobicContact CG-CD1 4.49Å; R118-I121 PolarHBondContact O-N 3.24Å; Y119-I121 VanDerWaalsContact C-N 3.29Å; Y119-I121 PolarHBondContact O-N 2.93Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.88Å; I121-M124 HydrophobicContact CG1-CE 4.18Å; I121-M124 PolarHBondContact O-N 3.02Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 HydrophobicContact CG2-CG 4.28Å; I121-L125 WeakPolarHBondContact O-CB 3.22Å; I121-L125 VanDerWaalsContact O-CG 3.25Å; I121-L125 WeakPolarHBondContact O-CG 3.19Å; I121-L125 PolarHBondContact O-N 2.94Å
122A98.8Very high98.5Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-60.1-41.417700000111.2L110 A113 R118 Y119 L125 L126 L154 L157L110-A122 HydrophobicContact CD1-CB 3.85Å; A113-A122 HydrophobicContact CB-CB 4.21Å; R118-A122 WeakPolarHBondContact O-CB 3.4Å; R118-A122 PolarHBondContact O-N 3.1Å; Y119-A122 PolarHBondContact O-N 3.43Å; A122-L125 PolarHBondContact O-N 3.05Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 WeakPolarHBondContact O-CD1 3.39Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.49Å; A122-L126 PolarHBondContact O-N 2.92Å; A122-L154 HydrophobicContact CB-CD1 3.52Å; A122-L157 HydrophobicContact CB-CD2 4.01Å
123L98.8Very high98.5Very high46 Ų4645.5 Ų45.524%0.24124%0.235CC..Hα-helixtrans-58.9-52.5175.5178.763.6000110.6Y119 I121 L125 L126 E127 L157Y119-L123 HydrophobicContact CE1-CD2 4.31Å; Y119-L123 WeakPolarHBondContact O-CB 3.26Å; Y119-L123 PolarHBondContact O-N 2.89Å; I121-L123 VanDerWaalsContact C-N 3.27Å; I121-L123 PolarHBondContact O-N 2.88Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 2.94Å; L123-L126 PolarHBondContact O-N 2.82Å; L123-E127 HydrophobicContact CD1-CG 3.98Å; L123-E127 WeakPolarHBondContact CD1-OE1 3.32Å; L123-E127 HydrophobicContact CG-CG 4.4Å; L123-E127 WeakPolarHBondContact O-CB 3.37Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 2.68Å; L123-L157 HydrophobicContact CB-CD2 3.93Å; L123-L157 HydrophobicContact CD1-CD1 3.62Å
124M98.7Very high98.5Very high13 Ų1346.1 Ų46.16%0.06424%0.24CC..Hα-helixtrans-58.2-43.2177.6-74.3-173-70.100112.5E86 V89 R90 I93 E120 I121 N128E86-M124 HydrophobicContact CB-CE 4.08Å; E86-M124 HydrophobicContact CG-CE 4.34Å; V89-M124 HydrophobicContact CB-CE 4.27Å; V89-M124 HydrophobicContact CG1-CE 4.05Å; R90-M124 HydrophobicContact CB-SD 4.14Å; I93-M124 HydrophobicContact CD1-CB 4.31Å; E120-M124 WeakPolarHBondContact O-CG 3.36Å; E120-M124 PolarHBondContact O-N 3.48Å; I121-M124 HydrophobicContact CG1-CE 4.18Å; I121-M124 PolarHBondContact O-N 3.02Å; M124-N128 WeakPolarHBondContact O-CB 3.4Å; M124-N128 PolarHBondContact O-N 3.01Å; M124-N128 PolarHBondContact O-ND2 2.95Å
125L98.8Very high98.5Very high0 Ų051.4 Ų51.40%027%0.266CS..Hα-helixtrans-62.6-47.2178.6-71.1172.1000111.3L77 I93 L99 P109 L110 A113 I121 A122 L123 N128 G129 A130L77-L125 HydrophobicContact CD1-CD2 4.27Å; L77-L125 HydrophobicContact CD2-CD2 4.04Å; L77-L125 HydrophobicContact CG-CD2 4.4Å; I93-L125 HydrophobicContact CD1-CD2 4.21Å; L99-L125 HydrophobicContact CD2-CD2 4.07Å; P109-L125 HydrophobicContact CB-CD1 4.06Å; P109-L125 HydrophobicContact CB-CD2 4.43Å; L110-L125 HydrophobicContact CB-CD1 4.23Å; L110-L125 HydrophobicContact CD1-CB 4.42Å; L110-L125 HydrophobicContact CD1-CD1 4.34Å; A113-L125 HydrophobicContact CB-CD1 4.32Å; I121-L125 HydrophobicContact CG2-CD1 3.87Å; I121-L125 HydrophobicContact CG2-CG 4.28Å; I121-L125 WeakPolarHBondContact O-CB 3.22Å; I121-L125 VanDerWaalsContact O-CG 3.25Å; I121-L125 WeakPolarHBondContact O-CG 3.19Å; I121-L125 PolarHBondContact O-N 2.94Å; A122-L125 PolarHBondContact O-N 3.05Å; L123-L125 VanDerWaalsContact C-N 3.33Å; L123-L125 PolarHBondContact O-N 2.94Å; L125-N128 PolarHBondContact O-N 3.23Å; L125-G129 PolarHBondContact O-N 3.4Å; L125-A130 HydrophobicContact CB-CB 3.84Å; L125-A130 WeakPolarHBondContact O-CB 3.47Å; L125-A130 PolarHBondContact O-N 2.9Å
126L98.8Very high98.6Very high11 Ų1150.2 Ų50.26%0.05826%0.257CS..Hα-helixtrans-67-43.6-178.5-70.9161.4000112L110 A122 L123 N128 G129 P132 L157 L158 Q161L110-L126 HydrophobicContact CD1-CD1 4.34Å; L110-L126 HydrophobicContact CD1-CG 4.18Å; L110-L126 HydrophobicContact CD2-CD2 3.66Å; L110-L126 HydrophobicContact CD2-CG 4.16Å; A122-L126 WeakPolarHBondContact O-CB 3.44Å; A122-L126 WeakPolarHBondContact O-CD1 3.39Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.49Å; A122-L126 PolarHBondContact O-N 2.92Å; L123-L126 PolarHBondContact O-N 2.82Å; L126-N128 PolarHBondContact O-N 2.83Å; L126-G129 PolarHBondContact O-N 2.95Å; L126-P132 HydrophobicContact CD2-CB 3.8Å; L126-L157 HydrophobicContact CD1-CD1 4.39Å; L126-L157 HydrophobicContact CD1-CD2 4.09Å; L126-L157 HydrophobicContact CD1-CG 3.87Å; L126-L158 HydrophobicContact CD1-CD2 3.97Å; L126-L158 HydrophobicContact CD2-CD2 4.42Å; L126-Q161 HydrophobicContact CB-CB 4.34Å; L126-Q161 HydrophobicContact CB-CG 3.91Å; L126-Q161 HydrophobicContact CD1-CB 4.15Å; L126-Q161 HydrophobicContact CD1-CG 3.96Å; L126-Q161 HydrophobicContact CD2-CB 3.99Å; L126-Q161 HydrophobicContact CD2-CG 4.46Å; L126-Q161 HydrophobicContact CG-CB 4.39Å; L126-Q161 HydrophobicContact CG-CG 4.33Å
127E98.4Very high98.6Very high127 Ų12753 Ų5359%0.59327%0.269SS*.Hα-helixtrans-62.1-24.3176.8-73.5-179.6159.600113L123L123-E127 HydrophobicContact CD1-CG 3.98Å; L123-E127 WeakPolarHBondContact CD1-OE1 3.32Å; L123-E127 HydrophobicContact CG-CG 4.4Å; L123-E127 WeakPolarHBondContact O-CB 3.37Å; L123-E127 WeakPolarHBondContact O-CG 3.46Å; L123-E127 PolarHBondContact O-N 2.68Å
128N98.6Very high98.6Very high93 Ų9353.8 Ų53.850%0.49727%0.273SS..THydrogen-bonded Turntrans-97.78.8176.8-71.6-90.2000113.5I93 L99 M124 L125 L126I93-N128 HydrophobicContact CG2-CB 4.05Å; L99-N128 VanDerWaalsContact CD1-C 3.44Å; L99-N128 HydrophobicContact CD1-CB 3.63Å; L99-N128 WeakPolarHBondContact CD1-O 3.43Å; M124-N128 WeakPolarHBondContact O-CB 3.4Å; M124-N128 PolarHBondContact O-N 3.01Å; M124-N128 PolarHBondContact O-ND2 2.95Å; L125-N128 PolarHBondContact O-N 3.23Å; L126-N128 PolarHBondContact O-N 2.83Å
129G98Very high98.6Very high50 Ų5050.6 Ų50.652%0.51527%0.267SS..THydrogen-bonded Turntrans92.723.5172.100000115.5N100 L125 L126N100-G129 PolarHBondContact ND2-O 3.22Å; L125-G129 PolarHBondContact O-N 3.4Å; L126-G129 PolarHBondContact O-N 2.95Å
130A98.6Very high98.6Very high5 Ų547.4 Ų47.44%0.04126%0.255CS..  trans-61.4138.2163.900000110.1L99 N100 L110 L125 P132L99-A130 HydrophobicContact CB-CB 4.11Å; L99-A130 HydrophobicContact CD1-CB 4.48Å; N100-A130 WeakPolarHBondContact OD1-CA 3.49Å; L110-A130 HydrophobicContact CD2-CB 4.33Å; L125-A130 HydrophobicContact CB-CB 3.84Å; L125-A130 WeakPolarHBondContact O-CB 3.47Å; L125-A130 PolarHBondContact O-N 2.9Å; A130-P132 VanDerWaalsContact O-CD 3.25Å; A130-P132 WeakPolarHBondContact O-CD 3.33Å
131D98.7Very high98.6Very high70 Ų7043.1 Ų43.137%0.37424%0.235SC..  trans-74.7113.1-180177.69000110.4N100 N133 A134N100-D131 PolarHBondContact OD1-N 3.33Å; D131-N133 PolarHBondContact O-N 3.35Å; D131-N133 WeakPolarHBondContact OD1-CA 3.44Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 3.21Å; D131-A134 HydrophobicContact CB-CB 4.17Å; D131-A134 WeakPolarHBondContact O-CB 3.31Å; D131-A134 PolarHBondContact O-N 3.38Å; D131-A134 PolarHBondContact OD1-N 3.01Å; D131-A134 PolarHBondContact OD2-N 3.2Å
132P98.6Very high98.6Very high18 Ų1843 Ų4312%0.11723%0.234CC..THydrogen-bonded Turntrans-65.8-19.5178.230.6-38.7000113.1L126 A130 Q161 A163L126-P132 HydrophobicContact CD2-CB 3.8Å; A130-P132 VanDerWaalsContact O-CD 3.25Å; A130-P132 WeakPolarHBondContact O-CD 3.33Å; P132-Q161 WeakPolarHBondContact CG-O 3.22Å; P132-A163 HydrophobicContact CB-CB 4.05Å
133N98.7Very high98.6Very high45 Ų4543 Ų4324%0.24123%0.234CC..THydrogen-bonded Turntrans-105.48-176.8-64.5-52.1000112.9D131 M135 S162 A163 S164 I167D131-N133 PolarHBondContact O-N 3.35Å; D131-N133 WeakPolarHBondContact OD1-CA 3.44Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 3.21Å; N133-M135 PolarHBondContact O-N 2.92Å; N133-S162 PolarHBondContact ND2-O 3.38Å; N133-A163 WeakPolarHBondContact OD1-CA 3.44Å; N133-S164 PolarHBondContact OD1-N 3.17Å; N133-I167 HydrophobicContact CB-CD1 3.91Å
134A98.7Very high98.6Very high12 Ų1240.9 Ų40.910%0.09922%0.223CC..  trans-52.7134.9175.800000110.2T108 H111 D131 T141 P142T108-A134 HydrophobicContact CG2-CB 3.81Å; H111-A134 PolarHBondContact CE1-O 3.49Å; H111-A134 PolarHBondContact NE2-O 3.29Å; D131-A134 HydrophobicContact CB-CB 4.17Å; D131-A134 WeakPolarHBondContact O-CB 3.31Å; D131-A134 PolarHBondContact O-N 3.38Å; D131-A134 PolarHBondContact OD1-N 3.01Å; D131-A134 PolarHBondContact OD2-N 3.2Å; A134-T141 WeakPolarHBondContact O-CA 3.05Å; A134-P142 WeakPolarHBondContact O-CD 3.38Å
135M98.6Very high98.6Very high111 Ų11144.3 Ų44.355%0.54724%0.235SC..  trans-109.4131.7-177.9-73.5-174-64.600110.5N133 A139 S140 T141 I167N133-M135 PolarHBondContact O-N 2.92Å; M135-A139 HydrophobicContact SD-CB 4.15Å; M135-S140 WeakPolarHBondContact CA-O 3.3Å; M135-T141 HydrophobicContact CG-CG2 3.95Å; M135-I167 HydrophobicContact SD-CG2 4.14Å
136D98.6Very high98.6Very high11 Ų1144.3 Ų44.36%0.05924%0.235CC..  trans-76.6-177.5168.773.416.3000112.3G106 L138 A139 S140 R145G106-D136 WeakPolarHBondContact O-CA 3.47Å; D136-L138 PolarHBondContact O-N 3.38Å; D136-L138 VanDerWaalsContact O-N 3.1Å; D136-L138 WeakPolarHBondContact OD1-CA 3.23Å; D136-L138 WeakPolarHBondContact OD1-CB 3.46Å; D136-L138 PolarHBondContact OD1-N 3.41Å; D136-A139 WeakPolarHBondContact O-CA 3.49Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 2.94Å; D136-S140 PolarHBondContact N-O 2.77Å; D136-S140 WeakPolarHBondContact OD1-CB 3.46Å; D136-S140 PolarHBondContact OD1-N 3.1Å; D136-S140 WeakPolarHBondContact OD2-CB 3.42Å; D136-R145 IonicContact OD2-CZ 2.68Å; D136-R145 IonicContact OD2-NE 3.62Å; D136-R145 IonicContact OD2-NH2 3.77Å; D136-R145 PolarHBondContact OD2-NH2 3.32Å
137K98.6Very high98.6Very high159 Ų15943.8 Ų43.869%0.69123%0.233SC*.THydrogen-bonded Turntrans-62.7-16.8180-76-177.5174.4179.70114.2Q104 N105 A139Q104-K137 WeakPolarHBondContact O-CD 3.45Å; Q104-K137 WeakPolarHBondContact O-CE 3.45Å; Q104-K137 PolarHBondContact O-NZ 3.21Å; N105-K137 WeakPolarHBondContact O-CB 3.14Å; N105-K137 WeakPolarHBondContact O-CG 3.45Å; N105-K137 PolarHBondContact O-N 2.88Å; K137-A139 VanDerWaalsContact C-N 3.32Å
138L98.4Very high98.6Very high98 Ų9838.7 Ų38.751%0.51321%0.213SC..THydrogen-bonded Turntrans-96.113.7174.4-59.7178.7000111.7D136 S140 S170D136-L138 PolarHBondContact O-N 3.38Å; D136-L138 VanDerWaalsContact O-N 3.1Å; D136-L138 WeakPolarHBondContact OD1-CA 3.23Å; D136-L138 WeakPolarHBondContact OD1-CB 3.46Å; D136-L138 PolarHBondContact OD1-N 3.41Å; L138-S140 PolarHBondContact O-N 3.36Å; L138-S140 VanDerWaalsContact O-N 3.14Å; L138-S170 VanDerWaalsContact O-CB 3.24Å; L138-S170 WeakPolarHBondContact O-CB 3.36Å; L138-S170 PolarHBondContact O-N 3.42Å; L138-S170 PolarHBondContact O-OG 3.45Å; L138-S170 VanDerWaalsContact O-OG 3.1Å
139A98.5Very high98.6Very high27 Ų2740.4 Ų40.422%0.22322%0.216CC..SBendtrans55.820-171.400000113.7M135 D136 K137M135-A139 HydrophobicContact SD-CB 4.15Å; D136-A139 WeakPolarHBondContact O-CA 3.49Å; D136-A139 PolarHBondContact O-N 2.87Å; D136-A139 PolarHBondContact OD1-N 2.94Å; K137-A139 VanDerWaalsContact C-N 3.32Å
140S98.6Very high98.5Very high7 Ų739.3 Ų39.35%0.04920%0.204CC..  trans-83.8139.9178.7-160.10000109.6H111 M135 D136 L138 H144H111-S140 PolarHBondContact NE2-O 3.42Å; M135-S140 WeakPolarHBondContact CA-O 3.3Å; D136-S140 PolarHBondContact N-O 2.77Å; D136-S140 WeakPolarHBondContact OD1-CB 3.46Å; D136-S140 PolarHBondContact OD1-N 3.1Å; D136-S140 WeakPolarHBondContact OD2-CB 3.42Å; L138-S140 PolarHBondContact O-N 3.36Å; L138-S140 VanDerWaalsContact O-N 3.14Å; S140-H144 WeakPolarHBondContact OG-CB 3.33Å
141T98.9Very high98.5Very high0 Ų040.1 Ų40.10%021%0.208CC..  trans-104.3168.1178.7710000111.6A134 M135 L143 H144 R145 I167A134-T141 WeakPolarHBondContact O-CA 3.05Å; M135-T141 HydrophobicContact CG-CG2 3.95Å; T141-L143 PolarHBondContact O-N 3.28Å; T141-L143 PolarHBondContact OG1-N 3.48Å; T141-H144 PolarHBondContact N-ND1 2.94Å; T141-H144 VanDerWaalsContact N-ND1 3.17Å; T141-H144 WeakPolarHBondContact O-CB 3.26Å; T141-H144 PolarHBondContact O-N 3.48Å; T141-H144 PolarHBondContact OG1-N 3.41Å; T141-H144 PolarHBondContact OG1-ND1 3.19Å; T141-R145 PolarHBondContact O-N 2.83Å; T141-I167 HydrophobicContact CG2-CB 4.26Å; T141-I167 HydrophobicContact CG2-CD1 3.87Å; T141-I167 HydrophobicContact CG2-CG2 3.8Å
142P98.8Very high98.5Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-53.1-36.1170.9-28.336.2000113.4L110 A114 A134 H144 R145 A146 L158L110-P142 HydrophobicContact CB-CG 4.22Å; L110-P142 HydrophobicContact CD2-CB 4.25Å; L110-P142 HydrophobicContact CD2-CG 3.85Å; L110-P142 HydrophobicContact CG-CB 3.93Å; L110-P142 HydrophobicContact CG-CG 3.74Å; A114-P142 HydrophobicContact CB-CB 3.89Å; A114-P142 WeakPolarHBondContact CB-O 3.48Å; A134-P142 WeakPolarHBondContact O-CD 3.38Å; P142-H144 PolarHBondContact O-N 3.05Å; P142-R145 PolarHBondContact O-N 3.5Å; P142-A146 PolarHBondContact O-N 3.13Å; P142-L158 HydrophobicContact CB-CD1 4.24Å; P142-L158 HydrophobicContact CB-CD2 4.06Å
143L98.9Very high98.4Very high0 Ų049.3 Ų49.30%024%0.236CC..Hα-helixtrans-65-37.6177.4-172.663.6000112.3T141 A146 S147 I155 L158 L159 A163 S164 T165 A175 L191T141-L143 PolarHBondContact O-N 3.28Å; T141-L143 PolarHBondContact OG1-N 3.48Å; L143-A146 PolarHBondContact O-N 3.47Å; L143-S147 WeakPolarHBondContact O-CB 3.03Å; L143-S147 PolarHBondContact O-N 3.14Å; L143-S147 PolarHBondContact O-OG 3.1Å; L143-I155 HydrophobicContact CD1-CB 4.43Å; L143-I155 HydrophobicContact CD1-CG1 4.46Å; L143-I155 HydrophobicContact CD1-CG2 3.93Å; L143-L158 HydrophobicContact CB-CD1 4.39Å; L143-L158 HydrophobicContact CD1-CB 4.16Å; L143-L158 HydrophobicContact CD1-CD1 4.23Å; L143-L159 HydrophobicContact CD1-CD2 4.4Å; L143-L159 HydrophobicContact CD1-CG 4.45Å; L143-L159 HydrophobicContact CD2-CD2 4.05Å; L143-A163 HydrophobicContact CB-CB 4.44Å; L143-A163 HydrophobicContact CD2-CB 4.21Å; L143-S164 WeakPolarHBondContact CD2-O 3.49Å; L143-T165 HydrophobicContact CD2-CG2 4.38Å; L143-A175 HydrophobicContact CD2-CB 4.09Å; L143-A175 HydrophobicContact CG-CB 3.87Å; L143-L191 HydrophobicContact CD1-CD2 4.15Å; L143-L191 HydrophobicContact CD2-CD2 4.13Å; L143-L191 HydrophobicContact CG-CD2 4.31Å
144H98.9Very high98.4Very high2 Ų247.1 Ų47.11%0.00922%0.224CC..Hα-helixtrans-59.7-47.3173.2-71.886.3000111.2S140 T141 P142 S147 A148 I167 N173 A175 L178S140-H144 WeakPolarHBondContact OG-CB 3.33Å; T141-H144 PolarHBondContact N-ND1 2.94Å; T141-H144 VanDerWaalsContact N-ND1 3.17Å; T141-H144 WeakPolarHBondContact O-CB 3.26Å; T141-H144 PolarHBondContact O-N 3.48Å; T141-H144 PolarHBondContact OG1-N 3.41Å; T141-H144 PolarHBondContact OG1-ND1 3.19Å; P142-H144 PolarHBondContact O-N 3.05Å; H144-S147 PolarHBondContact O-N 2.68Å; H144-A148 PolarHBondContact O-N 3.44Å; H144-I167 PolarHBondContact CE1-O 3.14Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; H144-N173 PolarHBondContact NE2-O 2.92Å; H144-N173 VanDerWaalsContact NE2-O 3.11Å; H144-A175 PolarHBondContact CD2-N 3.19Å; H144-A175 PolarHBondContact NE2-N 3.06Å; H144-L178 HydrophobicContact CB-CD1 3.69Å
145R98.5Very high98.4Very high84 Ų8446.6 Ų46.632%0.31722%0.219SC..Hα-helixtrans-62-45.9179.7-58.2-60.7-176.1178.6-0.4111.8A114 D136 T141 P142 S147 K149A114-R145 HydrophobicContact CB-CB 4.48Å; D136-R145 IonicContact OD2-CZ 2.68Å; D136-R145 IonicContact OD2-NE 3.62Å; D136-R145 IonicContact OD2-NH2 3.77Å; D136-R145 PolarHBondContact OD2-NH2 3.32Å; T141-R145 PolarHBondContact O-N 2.83Å; P142-R145 PolarHBondContact O-N 3.5Å; R145-S147 VanDerWaalsContact C-N 3.35Å; R145-K149 WeakPolarHBondContact O-CG 3.25Å; R145-K149 PolarHBondContact O-N 3.15Å
146A98.7Very high98.4Very high0 Ų044.3 Ų44.30%021%0.208CC..Hα-helixtrans-63.6-41.117800000112A114 P142 L143 K149 G150 N151 L154 I155 L158A114-A146 HydrophobicContact CB-CB 4.48Å; P142-A146 PolarHBondContact O-N 3.13Å; L143-A146 PolarHBondContact O-N 3.47Å; A146-K149 PolarHBondContact O-N 3.04Å; A146-G150 PolarHBondContact O-N 2.84Å; A146-N151 HydrophobicContact CB-CB 4.42Å; A146-N151 PolarHBondContact O-N 2.93Å; A146-L154 HydrophobicContact CB-CD2 3.82Å; A146-I155 HydrophobicContact CB-CG1 3.72Å; A146-L158 HydrophobicContact CB-CD1 4Å
147S98.6Very high98.4Very high0 Ų044.2 Ų44.20%021%0.207CC..Hα-helixtrans-69.8-43.7-177-58.80000112.6L143 H144 R145 K149 G150 A175 R184L143-S147 WeakPolarHBondContact O-CB 3.03Å; L143-S147 PolarHBondContact O-N 3.14Å; L143-S147 PolarHBondContact O-OG 3.1Å; H144-S147 PolarHBondContact O-N 2.68Å; R145-S147 VanDerWaalsContact C-N 3.35Å; S147-K149 PolarHBondContact O-N 3.35Å; S147-G150 PolarHBondContact O-N 2.97Å; S147-G150 VanDerWaalsContact O-N 3.13Å; S147-A175 WeakPolarHBondContact CB-O 3.37Å; S147-R184 WeakPolarHBondContact O-CG 3.24Å
148A98.3Very high98.5Very high21 Ų2136.6 Ų36.617%0.17417%0.174CC..Hα-helixtrans-59.4-36.2174.600000112.4H144 L178 E182 R184H144-A148 PolarHBondContact O-N 3.44Å; A148-L178 HydrophobicContact CB-CB 4.07Å; A148-L178 HydrophobicContact CB-CD1 4.33Å; A148-E182 HydrophobicContact CB-CG 4.43Å; A148-E182 WeakPolarHBondContact O-CB 3.39Å; A148-E182 WeakPolarHBondContact O-CG 3.33Å; A148-R184 PolarHBondContact O-NE 2.78Å
149K97.8Very high98.5Very high129 Ų12932.9 Ų32.956%0.56115%0.154SC*.Hα-helixtrans-83.4-15178.1-64.3-60.4-177.1-170.80114.1R145 A146 S147R145-K149 WeakPolarHBondContact O-CG 3.25Å; R145-K149 PolarHBondContact O-N 3.15Å; A146-K149 PolarHBondContact O-N 3.04Å; S147-K149 PolarHBondContact O-N 3.35Å
150G97.5Very high98.4Very high27 Ų2738.2 Ų38.228%0.27817%0.173SC..THydrogen-bonded Turntrans73.827.9-176.900000114A146 S147 Y152A146-G150 PolarHBondContact O-N 2.84Å; S147-G150 PolarHBondContact O-N 2.97Å; S147-G150 VanDerWaalsContact O-N 3.13Å; G150-Y152 PolarHBondContact O-N 3.29Å
151N97.9Very high98.4Very high22 Ų2241.3 Ų41.312%0.11819%0.186CC..  trans-74.772.6-177-65.3-9.9000110.9A114 D117 A146 R153 L154 I155A114-N151 PolarHBondContact O-ND2 2.96Å; D117-N151 WeakPolarHBondContact OD1-CB 3.46Å; A146-N151 HydrophobicContact CB-CB 4.42Å; A146-N151 PolarHBondContact O-N 2.93Å; N151-R153 PolarHBondContact O-N 3.36Å; N151-L154 HydrophobicContact CB-CB 3.98Å; N151-L154 WeakPolarHBondContact O-CB 3.34Å; N151-L154 PolarHBondContact O-N 3.21Å; N151-I155 WeakPolarHBondContact O-CG1 3.37Å; N151-I155 PolarHBondContact O-N 3.12Å
152Y97.8Very high98.3Very high93 Ų9345.8 Ų45.837%0.36522%0.218SC..Hα-helixtrans-50.5-50.7-167.9-179.7-86.2000114.1G150 L154 I155 Q156 E186 L190G150-Y152 PolarHBondContact O-N 3.29Å; Y152-L154 VanDerWaalsContact C-N 3.25Å; Y152-L154 PolarHBondContact O-N 2.8Å; Y152-I155 PolarHBondContact O-N 3.15Å; Y152-Q156 PolarHBondContact O-N 3.13Å; Y152-E186 HydrophobicContact CD2-CB 4Å; Y152-E186 HydrophobicContact CE2-CB 4.33Å; Y152-L190 HydrophobicContact CD2-CB 4.34Å; Y152-L190 HydrophobicContact CD2-CD2 3.9Å; Y152-L190 HydrophobicContact CE1-CD2 4.46Å; Y152-L190 HydrophobicContact CE2-CB 3.84Å; Y152-L190 HydrophobicContact CE2-CD1 4.29Å; Y152-L190 HydrophobicContact CE2-CD2 3.73Å; Y152-L190 HydrophobicContact CE2-CG 4.17Å; Y152-L190 HydrophobicContact CG-CD2 4.36Å
153R98.2Very high98.2Very high187 Ų18746.2 Ų46.271%0.70622%0.221SC*.Hα-helixtrans-61.7-37.6-179-71.3-173.7176.5-175.4-0.2111.9Y119 N151 Q156 L157Y119-R153 HydrophobicContact CD2-CB 4.11Å; Y119-R153 HydrophobicContact CE2-CB 4.24Å; N151-R153 PolarHBondContact O-N 3.36Å; R153-Q156 PolarHBondContact O-N 2.92Å; R153-L157 PolarHBondContact O-N 3.47Å
154L98.4Very high98.2Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-74.5-38.6-180-163.491.1000112.4A114 Y119 A122 A146 N151 Y152 Q156 L157 L158A114-L154 HydrophobicContact CB-CD2 3.58Å; Y119-L154 HydrophobicContact CD2-CD1 4.3Å; A122-L154 HydrophobicContact CB-CD1 3.52Å; A146-L154 HydrophobicContact CB-CD2 3.82Å; N151-L154 HydrophobicContact CB-CB 3.98Å; N151-L154 WeakPolarHBondContact O-CB 3.34Å; N151-L154 PolarHBondContact O-N 3.21Å; Y152-L154 VanDerWaalsContact C-N 3.25Å; Y152-L154 PolarHBondContact O-N 2.8Å; L154-Q156 VanDerWaalsContact C-N 3.28Å; L154-Q156 PolarHBondContact O-N 3.47Å; L154-L157 HydrophobicContact CD1-CD2 4.4Å; L154-L157 WeakPolarHBondContact O-CB 3.22Å; L154-L157 PolarHBondContact O-N 2.95Å; L154-L158 HydrophobicContact CD2-CD1 4.31Å; L154-L158 HydrophobicContact CG-CD1 4.48Å; L154-L158 WeakPolarHBondContact O-CG 3.14Å; L154-L158 PolarHBondContact O-N 2.9Å
155I98.8Very high98.2Very high0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-57.1-48.5170.8-66167.1000108.9L143 A146 N151 Y152 L157 L158 L159 A187 L190 L191L143-I155 HydrophobicContact CD1-CB 4.43Å; L143-I155 HydrophobicContact CD1-CG1 4.46Å; L143-I155 HydrophobicContact CD1-CG2 3.93Å; A146-I155 HydrophobicContact CB-CG1 3.72Å; N151-I155 WeakPolarHBondContact O-CG1 3.37Å; N151-I155 PolarHBondContact O-N 3.12Å; Y152-I155 PolarHBondContact O-N 3.15Å; I155-L157 VanDerWaalsContact C-N 3.29Å; I155-L157 PolarHBondContact O-N 3.29Å; I155-L158 PolarHBondContact O-N 3.32Å; I155-L159 HydrophobicContact CG2-CD1 3.72Å; I155-L159 HydrophobicContact CG2-CG 4.31Å; I155-L159 WeakPolarHBondContact O-CG 3.36Å; I155-L159 PolarHBondContact O-N 3.02Å; I155-A187 HydrophobicContact CD1-CB 3.46Å; I155-A187 VanDerWaalsContact CD1-CB 3.46Å; I155-L190 HydrophobicContact CB-CD2 4.03Å; I155-L190 HydrophobicContact CG2-CD2 3.63Å; I155-L190 HydrophobicContact CG2-CG 4.3Å; I155-L191 HydrophobicContact CG2-CD2 4.07Å; I155-L191 HydrophobicContact CG2-CG 4.34Å
156Q98.6Very high98.2Very high64 Ų6447.7 Ų47.730%0.29924%0.24SC..Hα-helixtrans-58.5-41177.5-167.3-178.239.900112.3Y152 R153 L154 K160 L190Y152-Q156 PolarHBondContact O-N 3.13Å; R153-Q156 PolarHBondContact O-N 2.92Å; L154-Q156 VanDerWaalsContact C-N 3.28Å; L154-Q156 PolarHBondContact O-N 3.47Å; Q156-K160 WeakPolarHBondContact O-CB 3.41Å; Q156-K160 VanDerWaalsContact O-CG 3.3Å; Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 2.85Å; Q156-L190 HydrophobicContact CB-CD2 4Å
157L98.7Very high98.2Very high8 Ų849.4 Ų49.44%0.04225%0.249CC..Hα-helixtrans-62.5-49.6175.317263.1000112.1Y119 A122 L123 L126 R153 L154 I155 L159 K160 Q161Y119-L157 HydrophobicContact CD2-CD2 4.13Å; Y119-L157 HydrophobicContact CE2-CB 3.87Å; Y119-L157 HydrophobicContact CE2-CD2 3.91Å; Y119-L157 HydrophobicContact CE2-CG 4.42Å; A122-L157 HydrophobicContact CB-CD2 4.01Å; L123-L157 HydrophobicContact CB-CD2 3.93Å; L123-L157 HydrophobicContact CD1-CD1 3.62Å; L126-L157 HydrophobicContact CD1-CD1 4.39Å; L126-L157 HydrophobicContact CD1-CD2 4.09Å; L126-L157 HydrophobicContact CD1-CG 3.87Å; R153-L157 PolarHBondContact O-N 3.47Å; L154-L157 HydrophobicContact CD1-CD2 4.4Å; L154-L157 WeakPolarHBondContact O-CB 3.22Å; L154-L157 PolarHBondContact O-N 2.95Å; I155-L157 VanDerWaalsContact C-N 3.29Å; I155-L157 PolarHBondContact O-N 3.29Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.37Å; L157-K160 WeakPolarHBondContact O-CB 3.47Å; L157-K160 PolarHBondContact O-N 3.11Å; L157-Q161 HydrophobicContact CD1-CG 4.15Å; L157-Q161 WeakPolarHBondContact O-CG 3.19Å; L157-Q161 PolarHBondContact O-N 2.66Å
158L98.8Very high98.2Very high0 Ų053.7 Ų53.70%027%0.268CS..Hα-helixtrans-59.4-43.1179.5-73.9165.8000111.3L110 L126 P142 L143 A146 L154 I155 Q161 S162 A163L110-L158 HydrophobicContact CD1-CD2 4.48Å; L110-L158 HydrophobicContact CD2-CD2 4.24Å; L126-L158 HydrophobicContact CD1-CD2 3.97Å; L126-L158 HydrophobicContact CD2-CD2 4.42Å; P142-L158 HydrophobicContact CB-CD1 4.24Å; P142-L158 HydrophobicContact CB-CD2 4.06Å; L143-L158 HydrophobicContact CB-CD1 4.39Å; L143-L158 HydrophobicContact CD1-CB 4.16Å; L143-L158 HydrophobicContact CD1-CD1 4.23Å; A146-L158 HydrophobicContact CB-CD1 4Å; L154-L158 HydrophobicContact CD2-CD1 4.31Å; L154-L158 HydrophobicContact CG-CD1 4.48Å; L154-L158 WeakPolarHBondContact O-CG 3.14Å; L154-L158 PolarHBondContact O-N 2.9Å; I155-L158 PolarHBondContact O-N 3.32Å; L158-Q161 CarbonylContact O-C 3.3Å; L158-Q161 VanDerWaalsContact O-C 3.3Å; L158-Q161 WeakPolarHBondContact O-CA 3.41Å; L158-Q161 PolarHBondContact O-N 3.33Å; L158-Q161 VanDerWaalsContact O-N 3.12Å; L158-S162 PolarHBondContact O-N 3.36Å; L158-A163 HydrophobicContact CB-CB 3.89Å; L158-A163 WeakPolarHBondContact O-CB 3.4Å; L158-A163 PolarHBondContact O-N 3.26Å
159L98.5Very high98.2Very high19 Ų1953.8 Ų53.810%0.09927%0.266CS..Hα-helixtrans-64.3-42.5177.1-65.3169.9000112.1L143 I155 L157 Q161 S162 T165 L190 H194L143-L159 HydrophobicContact CD1-CD2 4.4Å; L143-L159 HydrophobicContact CD1-CG 4.45Å; L143-L159 HydrophobicContact CD2-CD2 4.05Å; I155-L159 HydrophobicContact CG2-CD1 3.72Å; I155-L159 HydrophobicContact CG2-CG 4.31Å; I155-L159 WeakPolarHBondContact O-CG 3.36Å; I155-L159 PolarHBondContact O-N 3.02Å; L157-L159 VanDerWaalsContact C-N 3.31Å; L157-L159 PolarHBondContact O-N 3.37Å; L159-Q161 PolarHBondContact O-N 2.91Å; L159-S162 PolarHBondContact O-N 3.4Å; L159-T165 HydrophobicContact CD2-CG2 3.35Å; L159-L190 HydrophobicContact CD1-CD2 4.41Å; L159-L190 HydrophobicContact CD1-CG 4.13Å; L159-H194 HydrophobicContact CD1-CB 3.87Å; L159-H194 HydrophobicContact CD2-CB 4.21Å; L159-H194 HydrophobicContact CG-CB 4.49Å
160K98.1Very high98.3Very high140 Ų14049.5 Ų49.561%0.60925%0.252SS*.Hα-helixtrans-60.1-30.6172.9-77.4175.3178.6177.90112.4Q156 L157 S162Q156-K160 WeakPolarHBondContact O-CB 3.41Å; Q156-K160 VanDerWaalsContact O-CG 3.3Å; Q156-K160 WeakPolarHBondContact O-CG 3.46Å; Q156-K160 PolarHBondContact O-N 2.85Å; L157-K160 WeakPolarHBondContact O-CB 3.47Å; L157-K160 PolarHBondContact O-N 3.11Å; K160-S162 VanDerWaalsContact C-N 3.28Å; K160-S162 PolarHBondContact O-N 3.46Å
161Q97.8Very high98.3Very high71 Ų7153.2 Ų53.233%0.33226%0.262SS..THydrogen-bonded Turntrans-92.626.1177.2-62.2-67.2-7.500112.5L126 P132 L157 L158 L159 A163L126-Q161 HydrophobicContact CB-CB 4.34Å; L126-Q161 HydrophobicContact CB-CG 3.91Å; L126-Q161 HydrophobicContact CD1-CB 4.15Å; L126-Q161 HydrophobicContact CD1-CG 3.96Å; L126-Q161 HydrophobicContact CD2-CB 3.99Å; L126-Q161 HydrophobicContact CD2-CG 4.46Å; L126-Q161 HydrophobicContact CG-CB 4.39Å; L126-Q161 HydrophobicContact CG-CG 4.33Å; P132-Q161 WeakPolarHBondContact CG-O 3.22Å; L157-Q161 HydrophobicContact CD1-CG 4.15Å; L157-Q161 WeakPolarHBondContact O-CG 3.19Å; L157-Q161 PolarHBondContact O-N 2.66Å; L158-Q161 CarbonylContact O-C 3.3Å; L158-Q161 VanDerWaalsContact O-C 3.3Å; L158-Q161 WeakPolarHBondContact O-CA 3.41Å; L158-Q161 PolarHBondContact O-N 3.33Å; L158-Q161 VanDerWaalsContact O-N 3.12Å; L159-Q161 PolarHBondContact O-N 2.91Å; Q161-A163 PolarHBondContact O-N 2.96Å
162S96.1Very high98.3Very high95 Ų9552.4 Ų52.466%0.66426%0.26SS*.THydrogen-bonded Turntrans64.330.3173.7-51.10000115.5N133 L158 L159 K160 S164N133-S162 PolarHBondContact ND2-O 3.38Å; L158-S162 PolarHBondContact O-N 3.36Å; L159-S162 PolarHBondContact O-N 3.4Å; K160-S162 VanDerWaalsContact C-N 3.28Å; K160-S162 PolarHBondContact O-N 3.46Å; S162-S164 PolarHBondContact O-N 3.5Å
163A98.1Very high98.4Very high9 Ų949.2 Ų49.27%0.07425%0.249CC..  trans-64.4130.4165.400000110.7P132 N133 L143 L158 Q161P132-A163 HydrophobicContact CB-CB 4.05Å; N133-A163 WeakPolarHBondContact OD1-CA 3.44Å; L143-A163 HydrophobicContact CB-CB 4.44Å; L143-A163 HydrophobicContact CD2-CB 4.21Å; L158-A163 HydrophobicContact CB-CB 3.89Å; L158-A163 WeakPolarHBondContact O-CB 3.4Å; L158-A163 PolarHBondContact O-N 3.26Å; Q161-A163 PolarHBondContact O-N 2.96Å
164S98.5Very high98.4Very high50 Ų5040.3 Ų40.335%0.3522%0.215SC..  trans-76.1126.2176.7178.60000110.6N133 L143 S162 N166N133-S164 PolarHBondContact OD1-N 3.17Å; L143-S164 WeakPolarHBondContact CD2-O 3.49Å; S162-S164 PolarHBondContact O-N 3.5Å; S164-N166 VanDerWaalsContact C-N 3.31Å; S164-N166 PolarHBondContact O-N 3.17Å
165T98.4Very high98.4Very high11 Ų1140.4 Ų40.47%0.06722%0.216CC..THydrogen-bonded Turntrans-74.3-19.7-179.846.60000114L143 L159 L191 H194 G195 A196L143-T165 HydrophobicContact CD2-CG2 4.38Å; L159-T165 HydrophobicContact CD2-CG2 3.35Å; T165-L191 HydrophobicContact CG2-CD2 4.23Å; T165-H194 HydrophobicContact CG2-CB 4.49Å; T165-G195 PolarHBondContact OG1-O 3.34Å; T165-A196 HydrophobicContact CG2-CB 4.3Å
166N98.6Very high98.4Very high55 Ų5540.4 Ų40.429%0.29422%0.216SC..THydrogen-bonded Turntrans-113.89.6-166.8-66.1-43.7000114S164 Q168 G195 S197 I200S164-N166 VanDerWaalsContact C-N 3.31Å; S164-N166 PolarHBondContact O-N 3.17Å; N166-Q168 PolarHBondContact O-N 3.47Å; N166-G195 PolarHBondContact ND2-O 3.29Å; N166-G195 VanDerWaalsContact ND2-O 3.11Å; N166-S197 PolarHBondContact OD1-N 3.13Å; N166-I200 HydrophobicContact CB-CD1 3.78Å
167I98.8Very high98.4Very high37 Ų3737.4 Ų37.419%0.1920%0.202CC..  trans-60.9134.2169.1-68169.9000108.3N133 M135 T141 H144 T174N133-I167 HydrophobicContact CB-CD1 3.91Å; M135-I167 HydrophobicContact SD-CG2 4.14Å; T141-I167 HydrophobicContact CG2-CB 4.26Å; T141-I167 HydrophobicContact CG2-CD1 3.87Å; T141-I167 HydrophobicContact CG2-CG2 3.8Å; H144-I167 PolarHBondContact CE1-O 3.14Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; I167-T174 WeakPolarHBondContact O-CA 3.26Å
168Q98.8Very high98.4Very high89 Ų8938.8 Ų38.842%0.41621%0.209SC..  trans-100.7131.2176.4-68-177.9-83.500110.1N166 G172 N173 T174 I200 E201N166-Q168 PolarHBondContact O-N 3.47Å; Q168-G172 PolarHBondContact NE2-O 3.26Å; Q168-N173 WeakPolarHBondContact CA-O 3.42Å; Q168-T174 HydrophobicContact CG-CG2 3.86Å; Q168-I200 HydrophobicContact CG-CG2 4.03Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.29Å; Q168-E201 PolarHBondContact NE2-O 2.99Å; Q168-E201 VanDerWaalsContact NE2-O 3.08Å
169D98.7Very high98.4Very high23 Ų2338.8 Ų38.812%0.12321%0.209CC..  trans-71.6-177.3171.975.79.9000112.1Q171 G172 N173D169-Q171 PolarHBondContact O-N 3.49Å; D169-Q171 WeakPolarHBondContact OD1-CA 3.34Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.41Å; D169-Q171 PolarHBondContact OD1-N 3.38Å; D169-G172 PolarHBondContact O-N 3.08Å; D169-G172 PolarHBondContact OD1-N 2.83Å; D169-N173 PolarHBondContact N-O 3.15Å; D169-N173 WeakPolarHBondContact OD1-CB 3.31Å; D169-N173 PolarHBondContact OD1-N 3.01Å
170S98.5Very high98.4Very high39 Ų3937.9 Ų37.927%0.27320%0.204SC..THydrogen-bonded Turntrans-61.3-15.7-179.660.70000114.5L138 K203L138-S170 VanDerWaalsContact O-CB 3.24Å; L138-S170 WeakPolarHBondContact O-CB 3.36Å; L138-S170 PolarHBondContact O-N 3.42Å; L138-S170 PolarHBondContact O-OG 3.45Å; L138-S170 VanDerWaalsContact O-OG 3.1Å; S170-K203 WeakPolarHBondContact O-CE 3.45Å; S170-K203 PolarHBondContact O-NZ 3Å
171Q98.5Very high98.3Very high105 Ų10534.4 Ų34.449%0.49119%0.193SC..THydrogen-bonded Turntrans-99.54173.7-58.4-52-44.900112.7D169 N173 K203D169-Q171 PolarHBondContact O-N 3.49Å; D169-Q171 WeakPolarHBondContact OD1-CA 3.34Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.41Å; D169-Q171 PolarHBondContact OD1-N 3.38Å; Q171-N173 WeakPolarHBondContact CB-ND2 3.42Å; Q171-K203 WeakPolarHBondContact O-CB 3.45Å; Q171-K203 WeakPolarHBondContact O-CG 3.19Å; Q171-K203 PolarHBondContact O-N 3.36Å
172G98.5Very high98.3Very high6 Ų635.2 Ų35.26%0.06220%0.196CC..SBendtrans79.94.3-175.500000113.2Q168 D169 N202Q168-G172 PolarHBondContact NE2-O 3.26Å; D169-G172 PolarHBondContact O-N 3.08Å; D169-G172 PolarHBondContact OD1-N 2.83Å; G172-N202 WeakPolarHBondContact O-CA 3.33Å
173N98.8Very high98.3Very high26 Ų2636.5 Ų36.514%0.13919%0.192CC..  trans-80.3134.7-178.8-65.8-48.7000109.9H144 Q168 D169 Q171 H177 L178 N202H144-N173 PolarHBondContact NE2-O 2.92Å; H144-N173 VanDerWaalsContact NE2-O 3.11Å; Q168-N173 WeakPolarHBondContact CA-O 3.42Å; D169-N173 PolarHBondContact N-O 3.15Å; D169-N173 WeakPolarHBondContact OD1-CB 3.31Å; D169-N173 PolarHBondContact OD1-N 3.01Å; Q171-N173 WeakPolarHBondContact CB-ND2 3.42Å; N173-H177 HydrophobicContact CB-CB 3.81Å; N173-L178 HydrophobicContact CB-CD2 4.18Å; N173-N202 VanDerWaalsContact OD1-CB 3.27Å; N173-N202 WeakPolarHBondContact OD1-CB 3.49Å; N173-N202 PolarHBondContact OD1-ND2 2.84Å
174T98.8Very high98.2Very high0 Ų040.2 Ų40.20%020%0.204CC..  trans-87.1170.7166.268.30000111I167 Q168 L176 H177 L178 I200I167-T174 WeakPolarHBondContact O-CA 3.26Å; Q168-T174 HydrophobicContact CG-CG2 3.86Å; T174-L176 PolarHBondContact O-N 2.82Å; T174-L176 VanDerWaalsContact O-N 3.14Å; T174-L176 PolarHBondContact OG1-N 3.23Å; T174-H177 PolarHBondContact N-ND1 3.11Å; T174-H177 WeakPolarHBondContact O-CB 3.46Å; T174-H177 PolarHBondContact O-N 2.89Å; T174-H177 PolarHBondContact OG1-N 3.11Å; T174-H177 PolarHBondContact OG1-ND1 2.86Å; T174-L178 PolarHBondContact O-N 3.08Å; T174-I200 HydrophobicContact CG2-CB 4.32Å; T174-I200 HydrophobicContact CG2-CD1 3.92Å; T174-I200 HydrophobicContact CG2-CG2 3.92Å
175A98.7Very high98.1Very high2 Ų241.1 Ų41.12%0.01721%0.205CC..Hα-helixtrans-52.3-35.1171.400000113.1L143 H144 S147 L178 A179 L191L143-A175 HydrophobicContact CD2-CB 4.09Å; L143-A175 HydrophobicContact CG-CB 3.87Å; H144-A175 PolarHBondContact CD2-N 3.19Å; H144-A175 PolarHBondContact NE2-N 3.06Å; S147-A175 WeakPolarHBondContact CB-O 3.37Å; A175-L178 PolarHBondContact O-N 3.3Å; A175-A179 PolarHBondContact O-N 3.06Å; A175-L191 HydrophobicContact CB-CD1 4.28Å; A175-L191 HydrophobicContact CB-CD2 4.26Å
176L98.7Very high98Very high0 Ų045.2 Ų45.20%022%0.223CC..Hα-helixtrans-71-36.2177.4-175.260.9000112.8T174 L178 A179 C180 A188 L191 V192 A196 I198 P208 L220T174-L176 PolarHBondContact O-N 2.82Å; T174-L176 VanDerWaalsContact O-N 3.14Å; T174-L176 PolarHBondContact OG1-N 3.23Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 2.93Å; L176-A179 PolarHBondContact O-N 3.3Å; L176-C180 WeakPolarHBondContact O-CB 3.43Å; L176-C180 PolarHBondContact O-N 2.71Å; L176-C180 PolarHBondContact O-SG 3.45Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; L176-A188 HydrophobicContact CD1-CB 3.8Å; L176-L191 HydrophobicContact CB-CD1 4.33Å; L176-L191 HydrophobicContact CD1-CB 4.14Å; L176-L191 HydrophobicContact CD1-CD1 4.25Å; L176-V192 HydrophobicContact CD1-CG2 4.03Å; L176-V192 HydrophobicContact CD2-CG2 3.66Å; L176-A196 HydrophobicContact CB-CB 4.1Å; L176-A196 HydrophobicContact CD2-CB 3.93Å; L176-I198 HydrophobicContact CD2-CG2 4.02Å; L176-P208 HydrophobicContact CB-CB 4.36Å; L176-P208 HydrophobicContact CB-CG 4.29Å; L176-P208 HydrophobicContact CD2-CB 3.98Å; L176-P208 HydrophobicContact CD2-CG 3.99Å; L176-P208 HydrophobicContact CG-CB 3.73Å; L176-P208 HydrophobicContact CG-CG 4.04Å; L176-L220 HydrophobicContact CD1-CD1 4.25Å
177H98.8Very high98Very high1 Ų142.8 Ų42.81%0.00521%0.21CC..Hα-helixtrans-57.2-47.9173-71.581.5000110.6N173 T174 C180 D181 I200 K206 P208 L211N173-H177 HydrophobicContact CB-CB 3.81Å; T174-H177 PolarHBondContact N-ND1 3.11Å; T174-H177 WeakPolarHBondContact O-CB 3.46Å; T174-H177 PolarHBondContact O-N 2.89Å; T174-H177 PolarHBondContact OG1-N 3.11Å; T174-H177 PolarHBondContact OG1-ND1 2.86Å; H177-C180 PolarHBondContact O-N 3.13Å; H177-D181 PolarHBondContact O-N 3.38Å; H177-I200 PolarHBondContact CE1-O 3.46Å; H177-I200 PolarHBondContact NE2-O 3.15Å; H177-I200 VanDerWaalsContact NE2-O 3.1Å; H177-K206 PolarHBondContact NE2-O 3.35Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å; H177-L211 HydrophobicContact CB-CD1 3.98Å
178L98.4Very high97.9Very high36 Ų3641 Ų4119%0.18820%0.201CC..Hα-helixtrans-64.9-42.3179.9-57.5-177.1000112H144 A148 N173 T174 A175 L176 C180 E182H144-L178 HydrophobicContact CB-CD1 3.69Å; A148-L178 HydrophobicContact CB-CB 4.07Å; A148-L178 HydrophobicContact CB-CD1 4.33Å; N173-L178 HydrophobicContact CB-CD2 4.18Å; T174-L178 PolarHBondContact O-N 3.08Å; A175-L178 PolarHBondContact O-N 3.3Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 2.93Å; L178-C180 VanDerWaalsContact C-N 3.3Å; L178-C180 PolarHBondContact O-N 2.97Å; L178-E182 VanDerWaalsContact O-CB 3.24Å; L178-E182 WeakPolarHBondContact O-CB 3.43Å; L178-E182 WeakPolarHBondContact O-CG 3.32Å; L178-E182 PolarHBondContact O-N 3.41Å; L178-E182 VanDerWaalsContact O-N 3.1Å
179A98.1Very high97.9Very high0 Ų039 Ų390%019%0.191CC..Hα-helixtrans-62.3-37.617600000112.3A175 L176 E183 R184 A187 A188 L191A175-A179 PolarHBondContact O-N 3.06Å; L176-A179 PolarHBondContact O-N 3.3Å; A179-E183 PolarHBondContact O-N 2.82Å; A179-R184 HydrophobicContact CB-CB 4.24Å; A179-R184 PolarHBondContact O-N 2.86Å; A179-A187 HydrophobicContact CB-CB 4.48Å; A179-A188 HydrophobicContact CB-CB 4.05Å; A179-L191 HydrophobicContact CB-CD1 3.98Å
180C97.9Very high97.8Very high0 Ų038 Ų380%019%0.186CC..Hα-helixtrans-69.4-47.2177.6-76.40000113L176 H177 L178 E182 E183 P208 L211 A212 L216 L220L176-C180 WeakPolarHBondContact O-CB 3.43Å; L176-C180 PolarHBondContact O-N 2.71Å; L176-C180 PolarHBondContact O-SG 3.45Å; L176-C180 VanDerWaalsContact O-SG 3.36Å; H177-C180 PolarHBondContact O-N 3.13Å; L178-C180 VanDerWaalsContact C-N 3.3Å; L178-C180 PolarHBondContact O-N 2.97Å; C180-E182 VanDerWaalsContact C-N 3.29Å; C180-E182 PolarHBondContact O-N 3.17Å; C180-E183 PolarHBondContact O-N 3.31Å; C180-P208 VanDerWaalsContact CB-O 3.27Å; C180-P208 WeakPolarHBondContact CB-O 3.3Å; C180-P208 PolarHBondContact SG-O 3.28Å; C180-P208 VanDerWaalsContact SG-O 3.35Å; C180-L211 HydrophobicContact CB-CB 4.47Å; C180-A212 HydrophobicContact CB-CB 3.98Å; C180-L216 HydrophobicContact CB-CD2 4.38Å; C180-L220 VanDerWaalsContact SG-CD1 3.51Å
181D97.3Very high97.8Very high68 Ų6836.1 Ų36.136%0.36417%0.173SC..Hα-helixtrans-64.5-36.2-179.2-174.542.7000112.1H177 E183 L211 K213H177-D181 PolarHBondContact O-N 3.38Å; D181-E183 VanDerWaalsContact C-N 3.3Å; D181-E183 PolarHBondContact O-N 3.02Å; D181-L211 HydrophobicContact CB-CB 4.43Å; D181-K213 PolarHBondContact O-NZ 3.38Å; D181-K213 IonicContact OD1-NZ 2.71Å; D181-K213 PolarHBondContact OD1-NZ 2.99Å
182E96.9Very high97.8Very high87 Ų8731.7 Ų31.741%0.40715%0.153SC..THydrogen-bonded Turntrans-86.47.1177.5-67.9-77.1160.900113.9A148 L178 C180 R184A148-E182 HydrophobicContact CB-CG 4.43Å; A148-E182 WeakPolarHBondContact O-CB 3.39Å; A148-E182 WeakPolarHBondContact O-CG 3.33Å; L178-E182 VanDerWaalsContact O-CB 3.24Å; L178-E182 WeakPolarHBondContact O-CB 3.43Å; L178-E182 WeakPolarHBondContact O-CG 3.32Å; L178-E182 PolarHBondContact O-N 3.41Å; L178-E182 VanDerWaalsContact O-N 3.1Å; C180-E182 VanDerWaalsContact C-N 3.29Å; C180-E182 PolarHBondContact O-N 3.17Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.82Å; E182-R184 VanDerWaalsContact O-CD 3.3Å; E182-R184 WeakPolarHBondContact O-CD 3.49Å; E182-R184 PolarHBondContact O-N 3.39Å; E182-R184 PolarHBondContact O-NE 3.35Å; E182-R184 IonicContact OE2-CZ 2.9Å; E182-R184 IonicContact OE2-NH2 3.45Å; E182-R184 PolarHBondContact OE2-NH2 3.5Å
183E96.4Very high97.7Very high123 Ų12337.2 Ų37.258%0.57518%0.177SC*.THydrogen-bonded Turntrans58.632.5175.4-57.5177.8-116.200114.2A179 C180 D181 L185 K213A179-E183 PolarHBondContact O-N 2.82Å; C180-E183 PolarHBondContact O-N 3.31Å; D181-E183 VanDerWaalsContact C-N 3.3Å; D181-E183 PolarHBondContact O-N 3.02Å; E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.04Å; E183-K213 HydrophobicContact CG-CB 4.06Å; E183-K213 HydrophobicContact CG-CD 3.98Å; E183-K213 HydrophobicContact CG-CG 4.49Å; E183-K213 WeakPolarHBondContact OE1-CD 3.37Å
184R97.1Very high97.6Very high87 Ų8740 Ų4033%0.32819%0.189SC..  trans-84.471.4-178.9-48.7-56.2-177.9-157.9-17.7111S147 A148 A179 E182 E186 A187 A188S147-R184 WeakPolarHBondContact O-CG 3.24Å; A148-R184 PolarHBondContact O-NE 2.78Å; A179-R184 HydrophobicContact CB-CB 4.24Å; A179-R184 PolarHBondContact O-N 2.86Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.82Å; E182-R184 VanDerWaalsContact O-CD 3.3Å; E182-R184 WeakPolarHBondContact O-CD 3.49Å; E182-R184 PolarHBondContact O-N 3.39Å; E182-R184 PolarHBondContact O-NE 3.35Å; E182-R184 IonicContact OE2-CZ 2.9Å; E182-R184 IonicContact OE2-NH2 3.45Å; E182-R184 PolarHBondContact OE2-NH2 3.5Å; R184-E186 PolarHBondContact O-N 3.45Å; R184-A187 HydrophobicContact CB-CB 3.81Å; R184-A187 PolarHBondContact O-N 3.29Å; R184-A187 VanDerWaalsContact O-N 3.15Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.36Å
185L95.3Very high97.5Very high69 Ų6942.3 Ų42.336%0.36121%0.213SC..Hα-helixtrans-47.1-56.4-174.417765.4000113.8E183 A187 A188 K189 L216 V219E183-L185 VanDerWaalsContact C-N 3.34Å; E183-L185 PolarHBondContact O-N 3.04Å; L185-A187 VanDerWaalsContact C-N 3.34Å; L185-A187 PolarHBondContact O-N 2.96Å; L185-A188 PolarHBondContact O-N 3.44Å; L185-K189 HydrophobicContact CD1-CD 4.45Å; L185-K189 HydrophobicContact CD1-CG 4.46Å; L185-K189 HydrophobicContact CG-CD 4.48Å; L185-K189 WeakPolarHBondContact O-CG 3.42Å; L185-K189 PolarHBondContact O-N 3.14Å; L185-L216 HydrophobicContact CB-CD1 4.42Å; L185-L216 HydrophobicContact CD1-CD1 3.31Å; L185-L216 HydrophobicContact CG-CD1 4.44Å; L185-V219 HydrophobicContact CD1-CG1 4.4Å
186E96.7Very high97.5Very high97 Ų9742.5 Ų42.545%0.45321%0.214SC..Hα-helixtrans-70.2-31.4-175.4-60.6-52.1127.200112.7Y152 R184 K189 L190Y152-E186 HydrophobicContact CD2-CB 4Å; Y152-E186 HydrophobicContact CE2-CB 4.33Å; R184-E186 PolarHBondContact O-N 3.45Å; E186-K189 IonicContact OE1-NZ 3.33Å; E186-K189 PolarHBondContact OE1-NZ 3.4Å; E186-K189 IonicContact OE2-NZ 3.88Å; E186-L190 VanDerWaalsContact O-CB 3.31Å; E186-L190 WeakPolarHBondContact O-CB 3.27Å; E186-L190 PolarHBondContact O-N 2.95Å
187A97.8Very high97.5Very high3 Ų344.1 Ų44.13%0.02523%0.226CC..Hα-helixtrans-68.2-44.6172.800000111.5I155 A179 R184 L185 L190 L191I155-A187 HydrophobicContact CD1-CB 3.46Å; I155-A187 VanDerWaalsContact CD1-CB 3.46Å; A179-A187 HydrophobicContact CB-CB 4.48Å; R184-A187 HydrophobicContact CB-CB 3.81Å; R184-A187 PolarHBondContact O-N 3.29Å; R184-A187 VanDerWaalsContact O-N 3.15Å; L185-A187 VanDerWaalsContact C-N 3.34Å; L185-A187 PolarHBondContact O-N 2.96Å; A187-L190 PolarHBondContact O-N 3.34Å; A187-L191 WeakPolarHBondContact O-CB 3.48Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.06Å
188A98.1Very high97.4Very high0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-62.8-43.2178.600000111.7L176 A179 R184 L185 L191 V192 L216 L220L176-A188 HydrophobicContact CD1-CB 3.8Å; A179-A188 HydrophobicContact CB-CB 4.05Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.36Å; L185-A188 PolarHBondContact O-N 3.44Å; A188-L191 PolarHBondContact O-N 3.1Å; A188-V192 WeakPolarHBondContact O-CG2 3.36Å; A188-V192 PolarHBondContact O-N 2.85Å; A188-V192 VanDerWaalsContact O-N 3.08Å; A188-L216 HydrophobicContact CB-CD1 4.25Å; A188-L220 HydrophobicContact CB-CD1 4.1Å; A188-L220 HydrophobicContact CB-CD2 4Å
189K97.5Very high97.4Very high47 Ų4748.8 Ų48.820%0.20424%0.242CC..Hα-helixtrans-58.2-51.7172.5-70.8176.5-176.8164.20111.4L185 E186 L191 V192 E193 L220 I223L185-K189 HydrophobicContact CD1-CD 4.45Å; L185-K189 HydrophobicContact CD1-CG 4.46Å; L185-K189 HydrophobicContact CG-CD 4.48Å; L185-K189 WeakPolarHBondContact O-CG 3.42Å; L185-K189 PolarHBondContact O-N 3.14Å; E186-K189 IonicContact OE1-NZ 3.33Å; E186-K189 PolarHBondContact OE1-NZ 3.4Å; E186-K189 IonicContact OE2-NZ 3.88Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 2.93Å; K189-V192 PolarHBondContact O-N 2.96Å; K189-V192 VanDerWaalsContact O-N 3.11Å; K189-E193 WeakPolarHBondContact O-CG 3.41Å; K189-E193 PolarHBondContact O-N 3.39Å; K189-L220 HydrophobicContact CG-CD2 4.3Å; K189-I223 HydrophobicContact CB-CD1 4.18Å; K189-I223 HydrophobicContact CG-CD1 3.78Å
190L98.1Very high97.4Very high2 Ų250.5 Ų50.51%0.0125%0.25CS..Hα-helixtrans-57-42.2-179.518066.4000111.9Y152 I155 Q156 L159 E186 A187 E193 H194Y152-L190 HydrophobicContact CD2-CB 4.34Å; Y152-L190 HydrophobicContact CD2-CD2 3.9Å; Y152-L190 HydrophobicContact CE1-CD2 4.46Å; Y152-L190 HydrophobicContact CE2-CB 3.84Å; Y152-L190 HydrophobicContact CE2-CD1 4.29Å; Y152-L190 HydrophobicContact CE2-CD2 3.73Å; Y152-L190 HydrophobicContact CE2-CG 4.17Å; Y152-L190 HydrophobicContact CG-CD2 4.36Å; I155-L190 HydrophobicContact CB-CD2 4.03Å; I155-L190 HydrophobicContact CG2-CD2 3.63Å; I155-L190 HydrophobicContact CG2-CG 4.3Å; Q156-L190 HydrophobicContact CB-CD2 4Å; L159-L190 HydrophobicContact CD1-CD2 4.41Å; L159-L190 HydrophobicContact CD1-CG 4.13Å; E186-L190 VanDerWaalsContact O-CB 3.31Å; E186-L190 WeakPolarHBondContact O-CB 3.27Å; E186-L190 PolarHBondContact O-N 2.95Å; A187-L190 PolarHBondContact O-N 3.34Å; L190-E193 PolarHBondContact O-N 3.14Å; L190-H194 WeakPolarHBondContact CD1-CE1 3.49Å; L190-H194 PolarHBondContact O-N 2.9Å; L190-H194 VanDerWaalsContact O-N 3.15Å; L190-H194 PolarHBondContact O-ND1 3.1Å
191L98.5Very high97.4Very high0 Ų055.8 Ų55.80%028%0.275CS..Hα-helixtrans-62.4-45.8176.9-74167.9000111.7L143 I155 T165 A175 L176 A179 A187 A188 K189 H194 G195 A196L143-L191 HydrophobicContact CD1-CD2 4.15Å; L143-L191 HydrophobicContact CD2-CD2 4.13Å; L143-L191 HydrophobicContact CG-CD2 4.31Å; I155-L191 HydrophobicContact CG2-CD2 4.07Å; I155-L191 HydrophobicContact CG2-CG 4.34Å; T165-L191 HydrophobicContact CG2-CD2 4.23Å; A175-L191 HydrophobicContact CB-CD1 4.28Å; A175-L191 HydrophobicContact CB-CD2 4.26Å; L176-L191 HydrophobicContact CB-CD1 4.33Å; L176-L191 HydrophobicContact CD1-CB 4.14Å; L176-L191 HydrophobicContact CD1-CD1 4.25Å; A179-L191 HydrophobicContact CB-CD1 3.98Å; A187-L191 WeakPolarHBondContact O-CB 3.48Å; A187-L191 VanDerWaalsContact O-CG 3.26Å; A187-L191 WeakPolarHBondContact O-CG 3.37Å; A187-L191 PolarHBondContact O-N 3.06Å; A188-L191 PolarHBondContact O-N 3.1Å; K189-L191 VanDerWaalsContact C-N 3.27Å; K189-L191 PolarHBondContact O-N 2.93Å; L191-H194 CarbonylContact O-C 3.33Å; L191-H194 PolarHBondContact O-N 2.93Å; L191-H194 VanDerWaalsContact O-N 3.12Å; L191-G195 PolarHBondContact O-N 2.9Å; L191-A196 VanDerWaalsContact C-CB 3.44Å; L191-A196 HydrophobicContact CB-CB 3.81Å; L191-A196 WeakPolarHBondContact O-CB 3.39Å; L191-A196 PolarHBondContact O-N 3.1Å
192V98Very high97.5Very high12 Ų1253.2 Ų53.27%0.07326%0.261CS..Hα-helixtrans-63.6-43.2177.6171.30000111.3L176 A188 K189 H194 G195 I198 L220 I223 V224L176-V192 HydrophobicContact CD1-CG2 4.03Å; L176-V192 HydrophobicContact CD2-CG2 3.66Å; A188-V192 WeakPolarHBondContact O-CG2 3.36Å; A188-V192 PolarHBondContact O-N 2.85Å; A188-V192 VanDerWaalsContact O-N 3.08Å; K189-V192 PolarHBondContact O-N 2.96Å; K189-V192 VanDerWaalsContact O-N 3.11Å; V192-H194 PolarHBondContact O-N 3.06Å; V192-H194 VanDerWaalsContact O-N 3.13Å; V192-G195 PolarHBondContact O-N 3.18Å; V192-I198 HydrophobicContact CG2-CG2 3.93Å; V192-L220 HydrophobicContact CG2-CD2 4.02Å; V192-I223 HydrophobicContact CG1-CB 4.17Å; V192-I223 HydrophobicContact CG1-CG2 3.67Å; V192-V224 HydrophobicContact CG1-CG2 3.35Å
193E96.4Very high97.6Very high121 Ų12156.2 Ų56.257%0.56527%0.273SS*.Hα-helixtrans-58.2-25.5174.3-71.4168.1-178.200112.6K189 L190 I223K189-E193 WeakPolarHBondContact O-CG 3.41Å; K189-E193 PolarHBondContact O-N 3.39Å; L190-E193 PolarHBondContact O-N 3.14Å; E193-I223 HydrophobicContact CG-CG2 4.48Å
194H97.4Very high97.6Very high85 Ų8556.3 Ų56.339%0.39427%0.274SS..THydrogen-bonded Turntrans-103.524.6176.7-65.669.5000112.8L159 T165 L190 L191 V192L159-H194 HydrophobicContact CD1-CB 3.87Å; L159-H194 HydrophobicContact CD2-CB 4.21Å; L159-H194 HydrophobicContact CG-CB 4.49Å; T165-H194 HydrophobicContact CG2-CB 4.49Å; L190-H194 WeakPolarHBondContact CD1-CE1 3.49Å; L190-H194 PolarHBondContact O-N 2.9Å; L190-H194 VanDerWaalsContact O-N 3.15Å; L190-H194 PolarHBondContact O-ND1 3.1Å; L191-H194 CarbonylContact O-C 3.33Å; L191-H194 PolarHBondContact O-N 2.93Å; L191-H194 VanDerWaalsContact O-N 3.12Å; V192-H194 PolarHBondContact O-N 3.06Å; V192-H194 VanDerWaalsContact O-N 3.13Å
195G96.3Very high97.7Very high49 Ų4959.2 Ų59.251%0.50529%0.291SS..THydrogen-bonded Turntrans82.519.4169.300000115.5T165 N166 L191 V192 S197T165-G195 PolarHBondContact OG1-O 3.34Å; N166-G195 PolarHBondContact ND2-O 3.29Å; N166-G195 VanDerWaalsContact ND2-O 3.11Å; L191-G195 PolarHBondContact O-N 2.9Å; V192-G195 PolarHBondContact O-N 3.18Å; G195-S197 PolarHBondContact O-N 3.23Å
196A98.3Very high97.8Very high5 Ų559.7 Ų59.74%0.04129%0.29CS..  trans-64.6125.6167.100000110.2T165 L176 L191T165-A196 HydrophobicContact CG2-CB 4.3Å; L176-A196 HydrophobicContact CB-CB 4.1Å; L176-A196 HydrophobicContact CD2-CB 3.93Å; L191-A196 VanDerWaalsContact C-CB 3.44Å; L191-A196 HydrophobicContact CB-CB 3.81Å; L191-A196 WeakPolarHBondContact O-CB 3.39Å; L191-A196 PolarHBondContact O-N 3.1Å
197S98.1Very high97.9Very high34 Ų3456 Ų5624%0.23827%0.274CS..  trans-74.3130.7-179.41780000111.2N166 G195 Y199N166-S197 PolarHBondContact OD1-N 3.13Å; G195-S197 PolarHBondContact O-N 3.23Å; S197-Y199 VanDerWaalsContact C-N 3.27Å; S197-Y199 PolarHBondContact OG-N 3.41Å; S197-Y199 VanDerWaalsContact OG-N 3.17Å
198I97.5Very high97.9Very high2 Ų255.9 Ų55.91%0.0127%0.273CS..SBendtrans-84-1172.768.5178.4000112.9L176 V192 T207 L209 V224L176-I198 HydrophobicContact CD2-CG2 4.02Å; V192-I198 HydrophobicContact CG2-CG2 3.93Å; I198-T207 WeakPolarHBondContact O-CB 3.34Å; I198-L209 HydrophobicContact CB-CD1 4.32Å; I198-L209 HydrophobicContact CB-CD2 4.14Å; I198-L209 HydrophobicContact CB-CG 4.05Å; I198-L209 HydrophobicContact CD1-CD1 4.08Å; I198-L209 HydrophobicContact CG1-CD1 4.44Å; I198-L209 HydrophobicContact CG2-CD2 4.25Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.93Å; I198-V224 HydrophobicContact CD1-CG2 3.85Å; I198-V224 HydrophobicContact CG1-CG2 4.45Å; I198-V224 HydrophobicContact CG2-CG2 3.98Å
199Y97.8Very high97.8Very high133 Ų13357.1 Ų57.152%0.52228%0.28SS..  trans-111.9-7.5-171.9-53.8-68.2000114.2S197 E201 E225S197-Y199 VanDerWaalsContact C-N 3.27Å; S197-Y199 PolarHBondContact OG-N 3.41Å; S197-Y199 VanDerWaalsContact OG-N 3.17Å; Y199-E201 PolarHBondContact O-N 2.98Å; Y199-E225 PolarHBondContact OH-OE1 3.48Å
200I98.4Very high97.7Very high36 Ų3660.7 Ų60.719%0.18530%0.297CS..  trans-68.2128.9177.5-68.5169.8000108.4N166 Q168 T174 H177 T207 P208N166-I200 HydrophobicContact CB-CD1 3.78Å; Q168-I200 HydrophobicContact CG-CG2 4.03Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.29Å; T174-I200 HydrophobicContact CG2-CB 4.32Å; T174-I200 HydrophobicContact CG2-CD1 3.92Å; T174-I200 HydrophobicContact CG2-CG2 3.92Å; H177-I200 PolarHBondContact CE1-O 3.46Å; H177-I200 PolarHBondContact NE2-O 3.15Å; H177-I200 VanDerWaalsContact NE2-O 3.1Å; I200-T207 WeakPolarHBondContact O-CA 3.42Å; I200-P208 WeakPolarHBondContact O-CD 3.27Å
201E98.4Very high97.5Very high111 Ų11161.9 Ų61.952%0.51930%0.303SS..  trans-93.7138.8174.8-69.3174.3179.300110.7Q168 Y199 T207Q168-E201 PolarHBondContact NE2-O 2.99Å; Q168-E201 VanDerWaalsContact NE2-O 3.08Å; Y199-E201 PolarHBondContact O-N 2.98Å; E201-T207 HydrophobicContact CG-CG2 3.84Å
202N98.5Very high97.3Very high14 Ų1462.7 Ų62.78%0.07531%0.31CS..  trans-80.3-176.2169.474.45.5000111.5G172 N173 E204 E205 K206G172-N202 WeakPolarHBondContact O-CA 3.33Å; N173-N202 VanDerWaalsContact OD1-CB 3.27Å; N173-N202 WeakPolarHBondContact OD1-CB 3.49Å; N173-N202 PolarHBondContact OD1-ND2 2.84Å; N202-E204 PolarHBondContact O-N 3.31Å; N202-E204 VanDerWaalsContact O-N 3.14Å; N202-E204 WeakPolarHBondContact OD1-CA 3.47Å; N202-E204 WeakPolarHBondContact OD1-CB 3.36Å; N202-E204 PolarHBondContact OD1-N 2.85Å; N202-E205 PolarHBondContact O-N 3.23Å; N202-E205 PolarHBondContact OD1-N 2.81Å; N202-K206 PolarHBondContact N-O 3.07Å; N202-K206 PolarHBondContact OD1-N 3.32Å; N202-K206 PolarHBondContact OD1-O 3.35Å
203K98.6Very high96.8Very high150 Ų15066.9 Ų66.965%0.65233%0.327SS*.THydrogen-bonded Turntrans-66.2-12.6179.5-72.6-175.1176.9176.10114.8S170 Q171 E205S170-K203 WeakPolarHBondContact O-CE 3.45Å; S170-K203 PolarHBondContact O-NZ 3Å; Q171-K203 WeakPolarHBondContact O-CB 3.45Å; Q171-K203 WeakPolarHBondContact O-CG 3.19Å; Q171-K203 PolarHBondContact O-N 3.36Å; K203-E205 VanDerWaalsContact C-N 3.32Å
204E98.1Very high96.2Very high126 Ų12664.8 Ų64.859%0.58934%0.338SS*.THydrogen-bonded Turntrans-93.811.7172.2-58-175.6-176.400112.3N202 K206N202-E204 PolarHBondContact O-N 3.31Å; N202-E204 VanDerWaalsContact O-N 3.14Å; N202-E204 WeakPolarHBondContact OD1-CA 3.47Å; N202-E204 WeakPolarHBondContact OD1-CB 3.36Å; N202-E204 PolarHBondContact OD1-N 2.85Å; E204-K206 HydrophobicContact CB-CD 4.25Å; E204-K206 HydrophobicContact CB-CG 4.29Å; E204-K206 PolarHBondContact O-N 3.17Å; E204-K206 WeakPolarHBondContact OE2-CE 3.43Å; E204-K206 IonicContact OE2-NZ 2.76Å; E204-K206 PolarHBondContact OE2-NZ 3.03Å
205E98.1Very high95.6Very high148 Ų14863 Ų6369%0.69234%0.343SS*.SBendtrans60.229.3-176.9-55.6175.1-179.400112.3N202 K203N202-E205 PolarHBondContact O-N 3.23Å; N202-E205 PolarHBondContact OD1-N 2.81Å; K203-E205 VanDerWaalsContact C-N 3.32Å
206K98.3Very high95.4Very high79 Ų7961.3 Ų61.334%0.34332%0.322SS..  trans-108.4129178.4-65.6176-172.4160.20110.7H177 N202 E204 Q210 L211H177-K206 PolarHBondContact NE2-O 3.35Å; N202-K206 PolarHBondContact N-O 3.07Å; N202-K206 PolarHBondContact OD1-N 3.32Å; N202-K206 PolarHBondContact OD1-O 3.35Å; E204-K206 HydrophobicContact CB-CD 4.25Å; E204-K206 HydrophobicContact CB-CG 4.29Å; E204-K206 PolarHBondContact O-N 3.17Å; E204-K206 WeakPolarHBondContact OE2-CE 3.43Å; E204-K206 IonicContact OE2-NZ 2.76Å; E204-K206 PolarHBondContact OE2-NZ 3.03Å; K206-Q210 HydrophobicContact CB-CB 4.41Å; K206-L211 HydrophobicContact CB-CD2 4.12Å; K206-L211 HydrophobicContact CB-CG 4.32Å; K206-L211 HydrophobicContact CD-CD2 3.59Å; K206-L211 HydrophobicContact CG-CD2 4.49Å
207T98.1Very high94.9Very high20 Ų2061.6 Ų61.612%0.12333%0.325CS..  trans-75.5163.1166.863.20000111.6I198 I200 E201 L209 Q210 L211I198-T207 WeakPolarHBondContact O-CB 3.34Å; I200-T207 WeakPolarHBondContact O-CA 3.42Å; E201-T207 HydrophobicContact CG-CG2 3.84Å; T207-L209 PolarHBondContact O-N 2.9Å; T207-L209 VanDerWaalsContact O-N 3.17Å; T207-Q210 PolarHBondContact O-N 3.48Å; T207-Q210 VanDerWaalsContact O-N 3.08Å; T207-Q210 PolarHBondContact OG1-N 3.43Å; T207-Q210 PolarHBondContact OG1-OE1 3.43Å; T207-L211 PolarHBondContact O-N 2.98Å
208P97.7Very high94.5Very high0 Ų065 Ų650%034%0.341CS..Hα-helixtrans-57.5-32.4174.8-21.429.4000113.4L176 H177 C180 I200 Q210 L211 A212L176-P208 HydrophobicContact CB-CB 4.36Å; L176-P208 HydrophobicContact CB-CG 4.29Å; L176-P208 HydrophobicContact CD2-CB 3.98Å; L176-P208 HydrophobicContact CD2-CG 3.99Å; L176-P208 HydrophobicContact CG-CB 3.73Å; L176-P208 HydrophobicContact CG-CG 4.04Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å; C180-P208 VanDerWaalsContact CB-O 3.27Å; C180-P208 WeakPolarHBondContact CB-O 3.3Å; C180-P208 PolarHBondContact SG-O 3.28Å; C180-P208 VanDerWaalsContact SG-O 3.35Å; I200-P208 WeakPolarHBondContact O-CD 3.27Å; P208-Q210 VanDerWaalsContact C-N 3.32Å; P208-Q210 PolarHBondContact O-N 3.24Å; P208-L211 PolarHBondContact O-N 3.1Å; P208-A212 PolarHBondContact O-N 3.27Å; P208-A212 VanDerWaalsContact O-N 3.07Å
209L95.8Very high94.3Very high25 Ų2567.3 Ų67.313%0.13136%0.355CS..Hα-helixtrans-67.7-33.1179.4-59.7-173.8000112.6I198 T207 L211 A212 L220I198-L209 HydrophobicContact CB-CD1 4.32Å; I198-L209 HydrophobicContact CB-CD2 4.14Å; I198-L209 HydrophobicContact CB-CG 4.05Å; I198-L209 HydrophobicContact CD1-CD1 4.08Å; I198-L209 HydrophobicContact CG1-CD1 4.44Å; I198-L209 HydrophobicContact CG2-CD2 4.25Å; T207-L209 PolarHBondContact O-N 2.9Å; T207-L209 VanDerWaalsContact O-N 3.17Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-A212 WeakPolarHBondContact O-CB 3.34Å; L209-A212 PolarHBondContact O-N 2.88Å; L209-L220 HydrophobicContact CD2-CB 3.76Å; L209-L220 HydrophobicContact CD2-CD1 4.19Å
210Q95.6Very high94.1Very high122 Ų12261 Ų6157%0.5733%0.33SS*.Hα-helixtrans-75.5-24.7178.5-73.5161.3-50.500112.2K206 T207 P208K206-Q210 HydrophobicContact CB-CB 4.41Å; T207-Q210 PolarHBondContact O-N 3.48Å; T207-Q210 VanDerWaalsContact O-N 3.08Å; T207-Q210 PolarHBondContact OG1-N 3.43Å; T207-Q210 PolarHBondContact OG1-OE1 3.43Å; P208-Q210 VanDerWaalsContact C-N 3.32Å; P208-Q210 PolarHBondContact O-N 3.24Å
211L94.5Very high93.7Very high28 Ų2865.1 Ų65.115%0.14734%0.343CS..Hα-helixtrans-82.5-22.1171.8-60.8-177.4000112.8H177 C180 D181 K206 T207 P208 L209 K213H177-L211 HydrophobicContact CB-CD1 3.98Å; C180-L211 HydrophobicContact CB-CB 4.47Å; D181-L211 HydrophobicContact CB-CB 4.43Å; K206-L211 HydrophobicContact CB-CD2 4.12Å; K206-L211 HydrophobicContact CB-CG 4.32Å; K206-L211 HydrophobicContact CD-CD2 3.59Å; K206-L211 HydrophobicContact CG-CD2 4.49Å; T207-L211 PolarHBondContact O-N 2.98Å; P208-L211 PolarHBondContact O-N 3.1Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L211-K213 PolarHBondContact O-N 3.5Å
212A93.9Very high93.4Very high17 Ų1768.9 Ų68.914%0.1435%0.353CS..  trans-64.2123.8-179.500000111.2C180 P208 L209 L216C180-A212 HydrophobicContact CB-CB 3.98Å; P208-A212 PolarHBondContact O-N 3.27Å; P208-A212 VanDerWaalsContact O-N 3.07Å; L209-A212 WeakPolarHBondContact O-CB 3.34Å; L209-A212 PolarHBondContact O-N 2.88Å; A212-L216 HydrophobicContact CB-CB 4.04Å; A212-L216 HydrophobicContact CB-CD2 4Å; A212-L216 HydrophobicContact CB-CG 3.94Å
213K87.9Confident93.1Very high100 Ų10071.1 Ų71.144%0.43536%0.364SS..  trans-86.7152.3176.8-63.1167.1-172.8142.90111.2D181 E183 L211 L216D181-K213 PolarHBondContact O-NZ 3.38Å; D181-K213 IonicContact OD1-NZ 2.71Å; D181-K213 PolarHBondContact OD1-NZ 2.99Å; E183-K213 HydrophobicContact CG-CB 4.06Å; E183-K213 HydrophobicContact CG-CD 3.98Å; E183-K213 HydrophobicContact CG-CG 4.49Å; E183-K213 WeakPolarHBondContact OE1-CD 3.37Å; L211-K213 PolarHBondContact O-N 3.5Å; K213-L216 WeakPolarHBondContact O-CB 3.24Å; K213-L216 PolarHBondContact O-N 3.08Å
214G83.2Confident92.6Very high77 Ų7767 Ų6779%0.79435%0.351SS*.THydrogen-bonded Turntrans61.4-139178.800000113.5L216G214-L216 VanDerWaalsContact C-N 3.31Å; G214-L216 PolarHBondContact O-N 3.45Å
215G85.8Confident92Very high47 Ų4766.5 Ų66.549%0.48535%0.349SS..THydrogen-bonded Turntrans-81.2-1.7-178.300000115.3G217 N218 V219G215-G217 PolarHBondContact O-N 3.27Å; G215-N218 PolarHBondContact O-N 3.23Å; G215-V219 WeakPolarHBondContact O-CG2 3.3Å; G215-V219 PolarHBondContact O-N 3.45Å; G215-V219 VanDerWaalsContact O-N 3.16Å
216L90.3Very high90.9Very high14 Ų1465 Ų657%0.07337%0.374CS..Hα-helixtrans-59.8-45.9-172.3173.962.7000112.3C180 L185 A188 A212 K213 G214 N218 V219 L220C180-L216 HydrophobicContact CB-CD2 4.38Å; L185-L216 HydrophobicContact CB-CD1 4.42Å; L185-L216 HydrophobicContact CD1-CD1 3.31Å; L185-L216 HydrophobicContact CG-CD1 4.44Å; A188-L216 HydrophobicContact CB-CD1 4.25Å; A212-L216 HydrophobicContact CB-CB 4.04Å; A212-L216 HydrophobicContact CB-CD2 4Å; A212-L216 HydrophobicContact CB-CG 3.94Å; K213-L216 WeakPolarHBondContact O-CB 3.24Å; K213-L216 PolarHBondContact O-N 3.08Å; G214-L216 VanDerWaalsContact C-N 3.31Å; G214-L216 PolarHBondContact O-N 3.45Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.17Å; L216-V219 WeakPolarHBondContact O-CB 3.45Å; L216-V219 PolarHBondContact O-N 2.76Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 4.19Å; L216-L220 HydrophobicContact CD1-CG 3.97Å; L216-L220 HydrophobicContact CG-CD1 4.16Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 3.03Å
217G88.5Confident90.6Very high11 Ų1164.4 Ų64.411%0.11338%0.375CS..Hα-helixtrans-58.5-37.8179.300000113G215 L220 R221G215-G217 PolarHBondContact O-N 3.27Å; G217-L220 PolarHBondContact O-N 2.71Å; G217-R221 WeakPolarHBondContact O-CB 3.43Å; G217-R221 PolarHBondContact O-N 3.26Å
218N90.6Very high90.2Very high104 Ų10466.7 Ų66.756%0.55639%0.389SS*.Hα-helixtrans-68.8-36.2176-68.3-28000112.2G215 L216 R222G215-N218 PolarHBondContact O-N 3.23Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.17Å; N218-R222 VanDerWaalsContact O-CG 3.3Å; N218-R222 WeakPolarHBondContact O-CG 3.25Å; N218-R222 PolarHBondContact O-N 3.42Å; N218-R222 VanDerWaalsContact O-N 3.17Å
219V92.1Very high89.8Confident51 Ų5170.4 Ų70.431%0.30941%0.41SS..Hα-helixtrans-64.6-49.1175.6174.10000110.2L185 G215 L216 R221 R222 I223L185-V219 HydrophobicContact CD1-CG1 4.4Å; G215-V219 WeakPolarHBondContact O-CG2 3.3Å; G215-V219 PolarHBondContact O-N 3.45Å; G215-V219 VanDerWaalsContact O-N 3.16Å; L216-V219 WeakPolarHBondContact O-CB 3.45Å; L216-V219 PolarHBondContact O-N 2.76Å; V219-R221 PolarHBondContact O-N 3.16Å; V219-R222 PolarHBondContact O-N 3.46Å; V219-I223 HydrophobicContact CG1-CD1 4.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.08Å; V219-I223 PolarHBondContact O-N 3.47Å
220L93.3Very high89.4Confident0 Ų073.1 Ų73.10%043%0.427CS..Hα-helixtrans-64-40.6-179.2-61-179.8000111.9L176 C180 A188 K189 V192 L209 L216 G217 R222 I223 V224L176-L220 HydrophobicContact CD1-CD1 4.25Å; C180-L220 VanDerWaalsContact SG-CD1 3.51Å; A188-L220 HydrophobicContact CB-CD1 4.1Å; A188-L220 HydrophobicContact CB-CD2 4Å; K189-L220 HydrophobicContact CG-CD2 4.3Å; V192-L220 HydrophobicContact CG2-CD2 4.02Å; L209-L220 HydrophobicContact CD2-CB 3.76Å; L209-L220 HydrophobicContact CD2-CD1 4.19Å; L216-L220 HydrophobicContact CD1-CD1 4.16Å; L216-L220 HydrophobicContact CD1-CD2 4.19Å; L216-L220 HydrophobicContact CD1-CG 3.97Å; L216-L220 HydrophobicContact CG-CD1 4.16Å; L216-L220 HydrophobicContact CG-CG 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 3.03Å; G217-L220 PolarHBondContact O-N 2.71Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.21Å; L220-I223 HydrophobicContact CD2-CD1 4.46Å; L220-I223 PolarHBondContact O-N 3.41Å; L220-I223 VanDerWaalsContact O-N 3.13Å; L220-V224 PolarHBondContact O-N 3.31Å
221R91.7Very high89Confident124 Ų12470 Ų7047%0.46842%0.418SS..Hα-helixtrans-58.7-43.6175.3-171.5-179.5-63.4-161.6-1112G217 V219 I223 V224 E225G217-R221 WeakPolarHBondContact O-CB 3.43Å; G217-R221 PolarHBondContact O-N 3.26Å; V219-R221 PolarHBondContact O-N 3.16Å; R221-I223 VanDerWaalsContact C-N 3.26Å; R221-I223 PolarHBondContact O-N 3.49Å; R221-V224 PolarHBondContact O-N 2.97Å; R221-E225 VanDerWaalsContact CD-OE2 3.25Å; R221-E225 WeakPolarHBondContact CD-OE2 3.44Å; R221-E225 HydrophobicContact CG-CG 4.15Å; R221-E225 WeakPolarHBondContact CG-OE2 3.47Å; R221-E225 WeakPolarHBondContact O-CB 3.39Å; R221-E225 PolarHBondContact O-N 3.18Å
222R91.8Very high88.7Confident190 Ų19072.8 Ų72.872%0.71744%0.436SS*.Hα-helixtrans-63.3-29.2176.9-73.9174.5-177.3-176.91.4113.5N218 V219 L220 G226N218-R222 VanDerWaalsContact O-CG 3.3Å; N218-R222 WeakPolarHBondContact O-CG 3.25Å; N218-R222 PolarHBondContact O-N 3.42Å; N218-R222 VanDerWaalsContact O-N 3.17Å; V219-R222 PolarHBondContact O-N 3.46Å; L220-R222 VanDerWaalsContact C-N 3.32Å; L220-R222 PolarHBondContact O-N 3.21Å; R222-G226 WeakPolarHBondContact O-CA 3.41Å; R222-G226 PolarHBondContact O-N 2.86Å; R222-G226 VanDerWaalsContact O-N 3.1Å
223I90.6Very high88.3Confident61 Ų6176.8 Ų76.831%0.31346%0.457SS..Hα-helixtrans-71.7-33.8176.8-65.3168.9000111K189 V192 E193 V219 L220 R221K189-I223 HydrophobicContact CB-CD1 4.18Å; K189-I223 HydrophobicContact CG-CD1 3.78Å; V192-I223 HydrophobicContact CG1-CB 4.17Å; V192-I223 HydrophobicContact CG1-CG2 3.67Å; E193-I223 HydrophobicContact CG-CG2 4.48Å; V219-I223 HydrophobicContact CG1-CD1 4.31Å; V219-I223 WeakPolarHBondContact O-CG1 3.08Å; V219-I223 PolarHBondContact O-N 3.47Å; L220-I223 HydrophobicContact CD2-CD1 4.46Å; L220-I223 PolarHBondContact O-N 3.41Å; L220-I223 VanDerWaalsContact O-N 3.13Å; R221-I223 VanDerWaalsContact C-N 3.26Å; R221-I223 PolarHBondContact O-N 3.49Å
224V89.4Confident88.3Confident63 Ų6375 Ų7538%0.38246%0.459SS..Hα-helixtrans-87.9-38-177.1178.20000112.6V192 I198 L220 R221V192-V224 HydrophobicContact CG1-CG2 3.35Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.93Å; I198-V224 HydrophobicContact CD1-CG2 3.85Å; I198-V224 HydrophobicContact CG1-CG2 4.45Å; I198-V224 HydrophobicContact CG2-CG2 3.98Å; L220-V224 PolarHBondContact O-N 3.31Å; R221-V224 PolarHBondContact O-N 2.97Å
225E86.1Confident88.7Confident115 Ų11574.8 Ų74.854%0.53743%0.431SS..Hα-helixtrans-104.6-11.5-171.1-61.7175.7-178.700113.9Y199 R221Y199-E225 PolarHBondContact OH-OE1 3.48Å; R221-E225 VanDerWaalsContact CD-OE2 3.25Å; R221-E225 WeakPolarHBondContact CD-OE2 3.44Å; R221-E225 HydrophobicContact CG-CG 4.15Å; R221-E225 WeakPolarHBondContact CG-OE2 3.47Å; R221-E225 WeakPolarHBondContact O-CB 3.39Å; R221-E225 PolarHBondContact O-N 3.18Å
226G74.9Confident89Confident118 Ų11877.4 Ų77.4100%1.21643%0.426SS*.  trans-97.60-17900000112.7R222R222-G226 WeakPolarHBondContact O-CA 3.41Å; R222-G226 PolarHBondContact O-N 2.86Å; R222-G226 VanDerWaalsContact O-N 3.1Å

Retrieved 226 of 226 residues in 225.3 ms (Link to these results)

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