A0A061HY35_CRIGR 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. Acts as an oncoprotein by being involved in negative regulation of tumor suppressors RB1 and p53/TP53. Overexpression is leading to phosphorylation of RB1 and proteasomal degradation of RB1. Regulates CDK4-mediated phosphorylation of RB1 by competing with CDKN2A for binding with CDK4. Facilitates binding of MDM2 to p53/TP53 and the mono- and polyubiquitination of p53/TP53 by MDM2 suggesting a function in targeting the TP53:MDM2 complex to the 26S proteasome. Involved in p53-independent apoptosis. Involved in regulation of NF-kappa-B by retaining it in the cytoplasm. Binds to the NF-kappa-B component RELA and accelerates its XPO1/CRM1-mediated nuclear export.

AlphaFold DB , UniProt , Accession A0A061HY35, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Psmd10, 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
1M38.3Very low79Confident243 Ų24384.3 Ų84.3100%1.19747%0.469SS*.  089.30-78.4-175.2-7900106.4G3M1-G3 PolarHBondContact O-N 3.23Å
2E49.5Very low80.4Confident205 Ų20579 Ų7996%0.95844%0.44SS*.  trans-74.9105.5170.9-72.6-178.5164.400106.6
3G60.3Low81.6Confident60 Ų6073.2 Ų73.262%0.61941%0.407SS*.  trans-68.6156.3174.900000110.7M1 V5M1-G3 PolarHBondContact O-N 3.23Å; G3-V5 PolarHBondContact O-N 3.11Å
4C73.3Confident82.7Confident109 Ų10968 Ų6874%0.73638%0.378SS*.  trans-54.5130.7168.8-67.40000109.3S6C4-S6 VanDerWaalsContact C-N 3.32Å
5V84.9Confident83.6Confident47 Ų4769.8 Ų69.829%0.28538%0.378SS..SBendtrans-81.9-16.3-179.8-65.70000112.4G3 N12 Y15 W46G3-V5 PolarHBondContact O-N 3.11Å; V5-N12 WeakPolarHBondContact CG2-OD1 2.8Å; V5-N12 PolarHBondContact N-OD1 3.19Å; V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CG1-CD1 3.87Å; V5-Y15 HydrophobicContact CG1-CE1 3.64Å; V5-Y15 HydrophobicContact CG1-CG 4.48Å; V5-Y15 HydrophobicContact CG2-CD1 3.67Å; V5-Y15 HydrophobicContact CG2-CD2 4.3Å; V5-Y15 HydrophobicContact CG2-CE1 4.3Å; V5-Y15 HydrophobicContact CG2-CG 3.66Å; V5-W46 HydrophobicContact CB-CE3 4.45Å; V5-W46 HydrophobicContact CB-CH2 3.9Å; V5-W46 HydrophobicContact CB-CZ3 3.83Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 3.92Å; V5-W46 HydrophobicContact CG2-CH2 4.13Å; V5-W46 HydrophobicContact CG2-CZ3 3.82Å; V5-W46 WeakPolarHBondContact O-CH2 3.4Å
6S91Very high84.3Confident6 Ų670.5 Ų70.54%0.04239%0.385CS..SBendtrans-140.8153-178.7179.20000110.3C4 L8 C11 N12 D37C4-S6 VanDerWaalsContact C-N 3.32Å; S6-L8 PolarHBondContact O-N 3.16Å; S6-L8 PolarHBondContact OG-N 3.07Å; S6-C11 VanDerWaalsContact OG-CB 3.29Å; S6-C11 WeakPolarHBondContact OG-CB 3.4Å; S6-N12 PolarHBondContact N-OD1 3.39Å; S6-N12 PolarHBondContact O-ND2 3.17Å; S6-N12 PolarHBondContact O-OD1 3.28Å; S6-D37 WeakPolarHBondContact CB-OD2 3.47Å; S6-D37 WeakPolarHBondContact OG-CB 3.44Å; S6-D37 PolarHBondContact OG-OD2 3.15Å
7N92.4Very high85Confident107 Ų10767.9 Ų67.957%0.57238%0.379SS*.SBendtrans-71.1-12.9170.868.9-12000113D37 Q38N7-D37 VanDerWaalsContact OD1-CB 3.29Å; N7-D37 WeakPolarHBondContact OD1-CB 3.22Å; N7-Q38 VanDerWaalsContact N-OE1 3.08Å; N7-Q38 PolarHBondContact ND2-OE1 3.43Å; N7-Q38 PolarHBondContact OD1-OE1 2.81Å
8L94.1Very high85.6Confident23 Ų2369.3 Ų69.312%0.1238%0.38CS..SBendtrans-97.2128.9178.3-66.1-171.3000112.4S6 V10 C11 N12 R35 T36 D37S6-L8 PolarHBondContact O-N 3.16Å; S6-L8 PolarHBondContact OG-N 3.07Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 PolarHBondContact O-N 3.11Å; L8-C11 HydrophobicContact CB-CB 4.08Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 3.29Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 VanDerWaalsContact O-N 3.13Å; L8-N12 PolarHBondContact O-ND2 3.05Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å; L8-R35 HydrophobicContact CD1-CB 4.23Å; L8-R35 HydrophobicContact CD1-CG 3.8Å; L8-T36 VanDerWaalsContact CD1-C 3.48Å; L8-T36 WeakPolarHBondContact CD1-O 3.41Å; L8-D37 HydrophobicContact CB-CB 4.39Å; L8-D37 HydrophobicContact CD1-CB 3.97Å; L8-D37 HydrophobicContact CG-CB 3.9Å
9M93.8Very high86.1Confident120 Ų12066.8 Ų66.859%0.59137%0.367SS*.Hα-helixtrans-56.2-45.4175.7-176.659.7176.900112C11 N12 L13M9-C11 VanDerWaalsContact C-N 3.29Å; M9-C11 PolarHBondContact O-N 2.92Å; M9-N12 PolarHBondContact O-N 3.36Å; M9-N12 VanDerWaalsContact O-N 3.12Å; M9-L13 HydrophobicContact CE-CD1 4.23Å; M9-L13 HydrophobicContact CE-CD2 3.76Å; M9-L13 HydrophobicContact CE-CG 4Å; M9-L13 HydrophobicContact CG-CD1 4.19Å; M9-L13 HydrophobicContact CG-CG 4.33Å; M9-L13 WeakPolarHBondContact O-CG 3.33Å; M9-L13 PolarHBondContact O-N 3.24Å; M9-L13 HydrophobicContact SD-CG 4.41Å
10V95.1Very high86.7Confident7 Ų769.3 Ų69.34%0.04238%0.379CS..Hα-helixtrans-63.3-32.6-179.8-66.30000113.5L8 A14 L22 L32L8-V10 VanDerWaalsContact C-N 3.33Å; L8-V10 HydrophobicContact CB-CG2 4.33Å; L8-V10 PolarHBondContact O-N 3.11Å; V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.03Å; V10-L22 HydrophobicContact CB-CD1 4.17Å; V10-L22 WeakPolarHBondContact O-CD1 3.4Å; V10-L32 HydrophobicContact CG1-CB 3.9Å; V10-L32 HydrophobicContact CG1-CD1 3.91Å; V10-L32 HydrophobicContact CG1-CG 4.37Å; V10-L32 HydrophobicContact CG2-CB 4.42Å
11C95.9Very high87.1Confident0 Ų069.7 Ų69.70%038%0.379CS..Hα-helixtrans-69.5-41.6173.6-69.20000111.4S6 L8 M9 A14 Y15 W46S6-C11 VanDerWaalsContact OG-CB 3.29Å; S6-C11 WeakPolarHBondContact OG-CB 3.4Å; L8-C11 HydrophobicContact CB-CB 4.08Å; L8-C11 WeakPolarHBondContact O-CB 3.31Å; L8-C11 PolarHBondContact O-N 3.29Å; M9-C11 VanDerWaalsContact C-N 3.29Å; M9-C11 PolarHBondContact O-N 2.92Å; C11-A14 PolarHBondContact O-N 3.23Å; C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.26Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.18Å
12N95.6Very high89.9Confident21 Ų2158.1 Ų58.111%0.11232%0.322CS..Hα-helixtrans-65.8-39.4175.3-66.3-46000112.2V5 S6 L8 M9 Y15 T16V5-N12 WeakPolarHBondContact CG2-OD1 2.8Å; V5-N12 PolarHBondContact N-OD1 3.19Å; S6-N12 PolarHBondContact N-OD1 3.39Å; S6-N12 PolarHBondContact O-ND2 3.17Å; S6-N12 PolarHBondContact O-OD1 3.28Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 VanDerWaalsContact O-N 3.13Å; L8-N12 PolarHBondContact O-ND2 3.05Å; L8-N12 VanDerWaalsContact O-ND2 3.17Å; M9-N12 PolarHBondContact O-N 3.36Å; M9-N12 VanDerWaalsContact O-N 3.12Å; N12-Y15 PolarHBondContact O-N 3.1Å; N12-T16 WeakPolarHBondContact O-CB 3.47Å; N12-T16 WeakPolarHBondContact O-CG2 3.44Å; N12-T16 PolarHBondContact O-N 2.89Å; N12-T16 PolarHBondContact O-OG1 3.15Å
13L96.3Very high92.1Very high4 Ų451.6 Ų51.62%0.02129%0.29CS..Hα-helixtrans-61.7-45.3173.5-69.4176.5000111.3M9 Y15 T16 G17 K18 E21 L22M9-L13 HydrophobicContact CE-CD1 4.23Å; M9-L13 HydrophobicContact CE-CD2 3.76Å; M9-L13 HydrophobicContact CE-CG 4Å; M9-L13 HydrophobicContact CG-CD1 4.19Å; M9-L13 HydrophobicContact CG-CG 4.33Å; M9-L13 WeakPolarHBondContact O-CG 3.33Å; M9-L13 PolarHBondContact O-N 3.24Å; M9-L13 HydrophobicContact SD-CG 4.41Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.31Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 PolarHBondContact O-OG1 3.08Å; L13-G17 PolarHBondContact O-N 3.41Å; L13-K18 HydrophobicContact CD2-CB 3.81Å; L13-K18 HydrophobicContact CD2-CD 3.53Å; L13-K18 HydrophobicContact CD2-CG 4.34Å; L13-K18 PolarHBondContact O-N 3.39Å; L13-K18 VanDerWaalsContact O-N 3.13Å; L13-E21 HydrophobicContact CD1-CB 4.15Å; L13-E21 HydrophobicContact CD2-CB 3.91Å; L13-E21 VanDerWaalsContact CD2-OE2 3.3Å; L13-E21 WeakPolarHBondContact CD2-OE2 3.41Å; L13-L22 HydrophobicContact CB-CB 4.31Å; L13-L22 HydrophobicContact CB-CD1 4.06Å
14A96.7Very high93.8Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-64-35.5176.500000112.8V10 C11 L22 A43 W46 A47 H52 I55V10-A14 WeakPolarHBondContact O-CB 3.33Å; V10-A14 PolarHBondContact O-N 3.03Å; C11-A14 PolarHBondContact O-N 3.23Å; A14-L22 HydrophobicContact CB-CD1 4.46Å; A14-L22 HydrophobicContact CB-CD2 4.43Å; A14-A43 HydrophobicContact CB-CB 3.84Å; A14-A43 WeakPolarHBondContact CB-O 3.5Å; A14-W46 HydrophobicContact CB-CB 4.39Å; A14-A47 HydrophobicContact CB-CB 4.35Å; A14-H52 PolarHBondContact O-CD2 3.19Å; A14-H52 VanDerWaalsContact O-CD2 3.23Å; A14-I55 HydrophobicContact CB-CG2 4.41Å
15Y96.3Very high94.9Very high95 Ų9551.8 Ų51.837%0.37327%0.268SS..Hα-helixtrans-72.7-41.5176-177.6-106000112.8V5 C11 N12 L13 G17 W46 A50 H52V5-Y15 HydrophobicContact CB-CD1 4.42Å; V5-Y15 HydrophobicContact CG1-CD1 3.87Å; V5-Y15 HydrophobicContact CG1-CE1 3.64Å; V5-Y15 HydrophobicContact CG1-CG 4.48Å; V5-Y15 HydrophobicContact CG2-CD1 3.67Å; V5-Y15 HydrophobicContact CG2-CD2 4.3Å; V5-Y15 HydrophobicContact CG2-CE1 4.3Å; V5-Y15 HydrophobicContact CG2-CG 3.66Å; C11-Y15 WeakPolarHBondContact O-CB 3.32Å; C11-Y15 PolarHBondContact O-N 3.26Å; N12-Y15 PolarHBondContact O-N 3.1Å; L13-Y15 VanDerWaalsContact C-N 3.32Å; L13-Y15 PolarHBondContact O-N 3.31Å; Y15-G17 VanDerWaalsContact C-N 3.31Å; Y15-G17 PolarHBondContact O-N 2.99Å; Y15-W46 AromaticContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CZ3 4.3Å; Y15-W46 HydrophobicContact CE2-CE3 4.33Å; Y15-W46 HydrophobicContact CG-CE3 4.29Å; Y15-A50 HydrophobicContact CD2-CB 3.95Å; Y15-A50 HydrophobicContact CE2-CB 4.33Å; Y15-A50 VanDerWaalsContact O-CB 3.22Å; Y15-A50 WeakPolarHBondContact O-CB 3.3Å; Y15-H52 PolarHBondContact O-CD2 2.79Å; Y15-H52 PolarHBondContact O-NE2 2.81Å
16T96Very high95.3Very high81 Ų8149.8 Ų49.850%0.49726%0.255SS..Hα-helixtrans-80.6-9.6-177.853.40000113.9N12 L13N12-T16 WeakPolarHBondContact O-CB 3.47Å; N12-T16 WeakPolarHBondContact O-CG2 3.44Å; N12-T16 PolarHBondContact O-N 2.89Å; N12-T16 PolarHBondContact O-OG1 3.15Å; L13-T16 PolarHBondContact O-N 3.43Å; L13-T16 PolarHBondContact O-OG1 3.08Å
17G95.2Very high95.4Very high27 Ų2755.9 Ų55.928%0.27829%0.287SS..THydrogen-bonded Turntrans8616.7175.100000114.3L13 Y15 L19 H52L13-G17 PolarHBondContact O-N 3.41Å; Y15-G17 VanDerWaalsContact C-N 3.31Å; Y15-G17 PolarHBondContact O-N 2.99Å; G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.16Å; G17-H52 VanDerWaalsContact CA-CD2 3.45Å; G17-H52 WeakPolarHBondContact CA-CD2 3.11Å; G17-H52 VanDerWaalsContact CA-NE2 3.31Å; G17-H52 WeakPolarHBondContact CA-NE2 3.36Å; G17-H52 PolarHBondContact N-NE2 2.97Å
18K96.2Very high95.6Very high92 Ų9255.2 Ų55.240%0.430%0.296SS..  trans-80.975.3-178.1-71.7173.6155.6-130.50111.3L13 D20 E21 L22L13-K18 HydrophobicContact CD2-CB 3.81Å; L13-K18 HydrophobicContact CD2-CD 3.53Å; L13-K18 HydrophobicContact CD2-CG 4.34Å; L13-K18 PolarHBondContact O-N 3.39Å; L13-K18 VanDerWaalsContact O-N 3.13Å; K18-D20 PolarHBondContact O-N 3.24Å; K18-E21 HydrophobicContact CB-CB 4.29Å; K18-E21 VanDerWaalsContact NZ-CD 3.28Å; K18-E21 IonicContact NZ-OE1 2.74Å; K18-E21 PolarHBondContact NZ-OE1 3.36Å; K18-E21 IonicContact NZ-OE2 2.98Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; K18-L22 VanDerWaalsContact O-CB 3.28Å; K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 PolarHBondContact O-N 2.99Å
19L95.7Very high95.6Very high23 Ų2357.1 Ų57.112%0.1231%0.306CS..Hα-helixtrans-59.1-45.1-174-179.664.4000113.4G17 L22 K23 E54 I55 F58G17-L19 VanDerWaalsContact C-N 3.31Å; G17-L19 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3.27Å; L19-K23 HydrophobicContact CD1-CD 4.31Å; L19-K23 HydrophobicContact CD1-CG 4.3Å; L19-K23 HydrophobicContact CG-CD 4.12Å; L19-K23 HydrophobicContact CG-CG 4.49Å; L19-K23 WeakPolarHBondContact O-CB 3.49Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 2.89Å; L19-E54 HydrophobicContact CD2-CB 4Å; L19-E54 WeakPolarHBondContact CD2-OE2 3.36Å; L19-I55 HydrophobicContact CB-CG1 4.12Å; L19-I55 HydrophobicContact CD1-CB 4.37Å; L19-I55 HydrophobicContact CD1-CG1 3.59Å; L19-I55 HydrophobicContact CG-CG1 4.44Å; L19-F58 HydrophobicContact CD1-CB 4.39Å
20D96.6Very high95.5Very high116 Ų11660.9 Ų60.962%0.6231%0.314SS*.Hα-helixtrans-68.2-47.6-175.5-63.1-35.2000111.6K18 L22 K23 E24K18-D20 PolarHBondContact O-N 3.24Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.21Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å; D20-K23 PolarHBondContact O-N 3.43Å; D20-K23 VanDerWaalsContact O-N 3.17Å; D20-E24 WeakPolarHBondContact O-CG 3.45Å; D20-E24 PolarHBondContact O-N 3.01Å
21E96.3Very high95.4Very high78 Ų7864.7 Ų64.736%0.36434%0.338SS..Hα-helixtrans-60.4-37.3174.6-66.7175.8-139.200111.6L13 K18 S25L13-E21 HydrophobicContact CD1-CB 4.15Å; L13-E21 HydrophobicContact CD2-CB 3.91Å; L13-E21 VanDerWaalsContact CD2-OE2 3.3Å; L13-E21 WeakPolarHBondContact CD2-OE2 3.41Å; K18-E21 HydrophobicContact CB-CB 4.29Å; K18-E21 VanDerWaalsContact NZ-CD 3.28Å; K18-E21 IonicContact NZ-OE1 2.74Å; K18-E21 PolarHBondContact NZ-OE1 3.36Å; K18-E21 IonicContact NZ-OE2 2.98Å; K18-E21 PolarHBondContact NZ-OE2 3.3Å; E21-S25 WeakPolarHBondContact O-CB 3.37Å; E21-S25 PolarHBondContact O-N 3.1Å; E21-S25 PolarHBondContact O-OG 2.81Å
22L96.4Very high95.3Very high0 Ų066.2 Ų66.20%035%0.346CS..Hα-helixtrans-66.6-44.3175.8-175.674.9000111.5V10 L13 A14 K18 L19 D20 S25 I26 I55V10-L22 HydrophobicContact CB-CD1 4.17Å; V10-L22 WeakPolarHBondContact O-CD1 3.4Å; L13-L22 HydrophobicContact CB-CB 4.31Å; L13-L22 HydrophobicContact CB-CD1 4.06Å; A14-L22 HydrophobicContact CB-CD1 4.46Å; A14-L22 HydrophobicContact CB-CD2 4.43Å; K18-L22 VanDerWaalsContact O-CB 3.28Å; K18-L22 WeakPolarHBondContact O-CB 3.43Å; K18-L22 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 3.27Å; D20-L22 VanDerWaalsContact C-N 3.27Å; D20-L22 PolarHBondContact O-N 3.21Å; L22-S25 PolarHBondContact O-N 2.94Å; L22-I26 HydrophobicContact CD1-CD1 4.11Å; L22-I26 HydrophobicContact CD2-CD1 4.5Å; L22-I26 HydrophobicContact CG-CD1 3.93Å; L22-I26 WeakPolarHBondContact O-CG1 3.13Å; L22-I26 PolarHBondContact O-N 3.22Å; L22-I55 HydrophobicContact CD2-CB 4.4Å; L22-I55 HydrophobicContact CD2-CD1 4.32Å; L22-I55 HydrophobicContact CD2-CG1 4.22Å; L22-I55 HydrophobicContact CD2-CG2 3.42Å; L22-I55 VanDerWaalsContact CD2-CG2 3.42Å
23K96.3Very high95.2Very high68 Ų6865.5 Ų65.530%0.29634%0.343SS..Hα-helixtrans-60.5-48.5176.2-79173.9177167.30110.9L19 D20 S25 I26 L27 F58L19-K23 HydrophobicContact CD1-CD 4.31Å; L19-K23 HydrophobicContact CD1-CG 4.3Å; L19-K23 HydrophobicContact CG-CD 4.12Å; L19-K23 HydrophobicContact CG-CG 4.49Å; L19-K23 WeakPolarHBondContact O-CB 3.49Å; L19-K23 WeakPolarHBondContact O-CG 3.45Å; L19-K23 PolarHBondContact O-N 2.89Å; D20-K23 WeakPolarHBondContact O-CB 3.47Å; D20-K23 PolarHBondContact O-N 3.43Å; D20-K23 VanDerWaalsContact O-N 3.17Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.31Å; K23-I26 PolarHBondContact O-N 3.45Å; K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.28Å; K23-F58 HydrophobicContact CB-CZ 4.33Å; K23-F58 HydrophobicContact CG-CD1 4.11Å; K23-F58 HydrophobicContact CG-CD2 4.28Å; K23-F58 HydrophobicContact CG-CE1 3.76Å; K23-F58 HydrophobicContact CG-CE2 3.95Å; K23-F58 HydrophobicContact CG-CG 4.35Å; K23-F58 HydrophobicContact CG-CZ 3.68Å
24E95.8Very high95.1Very high139 Ų13968.6 Ų68.665%0.6536%0.361SS*.Hα-helixtrans-58.5-44.7176.8-72.6-176.7173.100111.5D20 I26 L27 A28D20-E24 WeakPolarHBondContact O-CG 3.45Å; D20-E24 PolarHBondContact O-N 3.01Å; E24-I26 PolarHBondContact O-N 2.84Å; E24-L27 PolarHBondContact O-N 2.88Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.97Å
25S95.4Very high95.1Very high34 Ų3474.9 Ų74.924%0.23839%0.385CS..Hα-helixtrans-60-46177.6-60.50000112.1E21 L22 K23 A28 D29E21-S25 WeakPolarHBondContact O-CB 3.37Å; E21-S25 PolarHBondContact O-N 3.1Å; E21-S25 PolarHBondContact O-OG 2.81Å; L22-S25 PolarHBondContact O-N 2.94Å; K23-S25 VanDerWaalsContact C-N 3.32Å; K23-S25 PolarHBondContact O-N 3.31Å; S25-A28 PolarHBondContact O-N 3.47Å; S25-D29 PolarHBondContact O-N 2.98Å
26I94.8Very high95.1Very high5 Ų573.3 Ų73.33%0.02639%0.386CS..Hα-helixtrans-73.8-30.6-179-68.4170.8000112.1L22 K23 E24 D29 R30 A33 F58 L59 L62L22-I26 HydrophobicContact CD1-CD1 4.11Å; L22-I26 HydrophobicContact CD2-CD1 4.5Å; L22-I26 HydrophobicContact CG-CD1 3.93Å; L22-I26 WeakPolarHBondContact O-CG1 3.13Å; L22-I26 PolarHBondContact O-N 3.22Å; K23-I26 PolarHBondContact O-N 3.45Å; E24-I26 PolarHBondContact O-N 2.84Å; I26-D29 CarbonylContact O-C 3.36Å; I26-R30 WeakPolarHBondContact O-CA 3.23Å; I26-R30 PolarHBondContact O-N 3.41Å; I26-A33 HydrophobicContact CD1-CB 4.06Å; I26-A33 HydrophobicContact CG1-CB 4.28Å; I26-A33 HydrophobicContact CG2-CB 4.1Å; I26-F58 HydrophobicContact CD1-CE1 3.99Å; I26-L59 HydrophobicContact CD1-CD2 3.7Å; I26-L62 HydrophobicContact CG2-CD1 3.65Å
27L93.1Very high95.1Very high133 Ų13370 Ų7070%0.69637%0.365SS*.Hα-helixtrans-69.3-35.9173-73.6172.3000111.7K23 E24K23-L27 WeakPolarHBondContact O-CB 3.41Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.28Å; E24-L27 PolarHBondContact O-N 2.88Å
28A95.4Very high95.1Very high93 Ų9373.1 Ų73.177%0.76937%0.372SS*.Hα-helixtrans-70.1-40.5174.600000112.2E24 S25E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 2.97Å; S25-A28 PolarHBondContact O-N 3.47Å
29D94.8Very high95.1Very high64 Ų6471.7 Ų71.734%0.34237%0.369SS..  trans-143.8104.9175.7179.81.7000111.2S25 I26 T31 L32S25-D29 PolarHBondContact O-N 2.98Å; I26-D29 CarbonylContact O-C 3.36Å; D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.26Å; D29-T31 PolarHBondContact OD1-OG1 3.13Å; D29-T31 PolarHBondContact OD2-OG1 3.47Å; D29-T31 VanDerWaalsContact OD2-OG1 3.11Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.92Å; D29-L32 WeakPolarHBondContact O-CB 3.45Å; D29-L32 WeakPolarHBondContact O-CG 3.2Å; D29-L32 PolarHBondContact O-N 2.99Å
30R92Very high95.2Very high198 Ų19873.6 Ų73.675%0.74738%0.379SS*.G310 helixtrans-62.7-24.4-179.5-73.3-170.2174.8-159.6-1.2113.5I26 L32 A33I26-R30 WeakPolarHBondContact O-CA 3.23Å; I26-R30 PolarHBondContact O-N 3.41Å; R30-L32 PolarHBondContact O-N 3.07Å; R30-A33 PolarHBondContact O-N 3.27Å
31T93.2Very high95.2Very high88 Ų8870.9 Ų70.954%0.5436%0.36SS..G310 helixtrans-67.6-20.3-178.771.90000112.1D29 A33 T34 R35D29-T31 PolarHBondContact O-N 3.28Å; D29-T31 WeakPolarHBondContact OD1-CB 3.4Å; D29-T31 WeakPolarHBondContact OD1-CG2 3.49Å; D29-T31 PolarHBondContact OD1-N 3.26Å; D29-T31 PolarHBondContact OD1-OG1 3.13Å; D29-T31 PolarHBondContact OD2-OG1 3.47Å; D29-T31 VanDerWaalsContact OD2-OG1 3.11Å; T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 2.76Å; T31-T34 PolarHBondContact O-N 2.93Å; T31-R35 PolarHBondContact O-N 2.87Å
32L93.8Very high95.3Very high32 Ų3267.4 Ų67.417%0.16835%0.345CS..G310 helixtrans-66.2-25.8178.3-62178.8000113.4V10 D29 R30 T34 R35V10-L32 HydrophobicContact CG1-CB 3.9Å; V10-L32 HydrophobicContact CG1-CD1 3.91Å; V10-L32 HydrophobicContact CG1-CG 4.37Å; V10-L32 HydrophobicContact CG2-CB 4.42Å; D29-L32 HydrophobicContact CB-CD1 3.93Å; D29-L32 HydrophobicContact CB-CG 3.92Å; D29-L32 WeakPolarHBondContact O-CB 3.45Å; D29-L32 WeakPolarHBondContact O-CG 3.2Å; D29-L32 PolarHBondContact O-N 2.99Å; R30-L32 PolarHBondContact O-N 3.07Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.46Å; L32-R35 PolarHBondContact O-N 3.18Å
33A92.7Very high95.3Very high6 Ų667.4 Ų67.45%0.0535%0.345CS..G310 helixtrans-65-30.4-178.600000113I26 R30 T31 L59 L62 V64I26-A33 HydrophobicContact CD1-CB 4.06Å; I26-A33 HydrophobicContact CG1-CB 4.28Å; I26-A33 HydrophobicContact CG2-CB 4.1Å; R30-A33 PolarHBondContact O-N 3.27Å; T31-A33 VanDerWaalsContact C-N 3.26Å; T31-A33 PolarHBondContact O-N 2.76Å; A33-L59 HydrophobicContact CB-CD2 4.47Å; A33-L62 HydrophobicContact CB-CD1 4.47Å; A33-V64 HydrophobicContact CB-CG1 3.95Å
34T94.9Very high95.4Very high68 Ų6864.2 Ų64.242%0.41733%0.331SS..G310 helixtrans-112.37.9179.759.30000112.6T31 L32 V64T31-T34 PolarHBondContact O-N 2.93Å; L32-T34 VanDerWaalsContact C-N 3.26Å; L32-T34 PolarHBondContact O-N 3.46Å; T34-V64 HydrophobicContact CG2-CB 4.18Å; T34-V64 HydrophobicContact CG2-CG1 4.03Å
35R96Very high95.5Very high132 Ų13257.8 Ų57.850%0.49830%0.3SS..  trans-70.8134.1179-167.3172.5179153.1-0.9109.8L8 T31 L32L8-R35 HydrophobicContact CD1-CB 4.23Å; L8-R35 HydrophobicContact CD1-CG 3.8Å; T31-R35 PolarHBondContact O-N 2.87Å; L32-R35 PolarHBondContact O-N 3.18Å
36T96.9Very high95.6Very high62 Ų6257.1 Ų57.138%0.3829%0.293SS..  trans-98.8140.9-178.753.40000111.5L8 N40 R41 T42L8-T36 VanDerWaalsContact CD1-C 3.48Å; L8-T36 WeakPolarHBondContact CD1-O 3.41Å; T36-N40 WeakPolarHBondContact CB-OD1 3.42Å; T36-N40 WeakPolarHBondContact CG2-OD1 3.43Å; T36-R41 CarbonylContact C-O 3.18Å; T36-R41 WeakPolarHBondContact CA-O 3.3Å; T36-T42 HydrophobicContact CG2-CG2 3.75Å
37D96.2Very high95.8Very high12 Ų1256.9 Ų56.96%0.06429%0.292CS..  trans-85.7-168.317467.612.4000112.5S6 N7 L8 D39 N40 R41 W46S6-D37 WeakPolarHBondContact CB-OD2 3.47Å; S6-D37 WeakPolarHBondContact OG-CB 3.44Å; S6-D37 PolarHBondContact OG-OD2 3.15Å; N7-D37 VanDerWaalsContact OD1-CB 3.29Å; N7-D37 WeakPolarHBondContact OD1-CB 3.22Å; L8-D37 HydrophobicContact CB-CB 4.39Å; L8-D37 HydrophobicContact CD1-CB 3.97Å; L8-D37 HydrophobicContact CG-CB 3.9Å; D37-D39 PolarHBondContact O-N 3.26Å; D37-D39 PolarHBondContact OD1-N 3.01Å; D37-N40 PolarHBondContact O-N 3.3Å; D37-N40 VanDerWaalsContact O-N 3.13Å; D37-N40 PolarHBondContact OD1-N 2.94Å; D37-R41 PolarHBondContact N-O 3.3Å; D37-R41 WeakPolarHBondContact OD1-CA 3.42Å; D37-R41 WeakPolarHBondContact OD1-CB 3.41Å; D37-R41 PolarHBondContact OD1-N 3.01Å; D37-W46 PolarHBondContact OD2-NE1 3.18Å
38Q95.7Very high96Very high93 Ų9350.6 Ų50.644%0.43526%0.259SS..THydrogen-bonded Turntrans-65.2-15.7-178.776.9-85.5-18.400115N7N7-Q38 VanDerWaalsContact N-OE1 3.08Å; N7-Q38 PolarHBondContact ND2-OE1 3.43Å; N7-Q38 PolarHBondContact OD1-OE1 2.81Å
39D95.1Very high96.1Very high62 Ų6248 Ų4833%0.33224%0.235SC..THydrogen-bonded Turntrans-102.914.1179-58.1-61.4000111.1D37 R41 D70 D71D37-D39 PolarHBondContact O-N 3.26Å; D37-D39 PolarHBondContact OD1-N 3.01Å; D39-R41 HydrophobicContact CB-CG 4.25Å; D39-R41 PolarHBondContact O-N 2.95Å; D39-D70 WeakPolarHBondContact O-CB 3.49Å; D39-D71 VanDerWaalsContact C-OD2 3.25Å; D39-D71 WeakPolarHBondContact CA-OD2 3.45Å; D39-D71 PolarHBondContact O-N 2.99Å
40N97Very high96.2Very high63 Ų6346.1 Ų46.134%0.33723%0.228SC..SBendtrans5629.8-170.8-161.346.2000113.7T36 D37 K69 D71T36-N40 WeakPolarHBondContact CB-OD1 3.42Å; T36-N40 WeakPolarHBondContact CG2-OD1 3.43Å; D37-N40 PolarHBondContact O-N 3.3Å; D37-N40 VanDerWaalsContact O-N 3.13Å; D37-N40 PolarHBondContact OD1-N 2.94Å; N40-K69 PolarHBondContact ND2-O 2.9Å; N40-D71 WeakPolarHBondContact CB-OD1 3.35Å
41R97.8Very high96.4Very high59 Ų5937.8 Ų37.822%0.22320%0.204CC..  trans-97.3140.2177.4-70.2179.5171.5169.64111.5T36 D37 D39 H45 D70T36-R41 CarbonylContact C-O 3.18Å; T36-R41 WeakPolarHBondContact CA-O 3.3Å; D37-R41 PolarHBondContact N-O 3.3Å; D37-R41 WeakPolarHBondContact OD1-CA 3.42Å; D37-R41 WeakPolarHBondContact OD1-CB 3.41Å; D37-R41 PolarHBondContact OD1-N 3.01Å; D39-R41 HydrophobicContact CB-CG 4.25Å; D39-R41 PolarHBondContact O-N 2.95Å; R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.02Å; R41-D70 HydrophobicContact CG-CB 3.49Å; R41-D70 VanDerWaalsContact CG-CB 3.49Å; R41-D70 IonicContact CZ-OD2 3.23Å; R41-D70 VanDerWaalsContact CZ-OD2 3.23Å; R41-D70 IonicContact NE-OD2 2.81Å; R41-D70 PolarHBondContact NE-OD2 3.41Å; R41-D70 IonicContact NH2-OD2 2.77Å; R41-D70 PolarHBondContact NH2-OD2 3.2Å
42T97.4Very high96.7Very high5 Ų536.5 Ų36.53%0.03119%0.191CC..  trans-95.5171.4170.663.40000111.4T36 L44 H45 W46T36-T42 HydrophobicContact CG2-CG2 3.75Å; T42-L44 PolarHBondContact O-N 3.03Å; T42-L44 VanDerWaalsContact O-N 3.11Å; T42-L44 PolarHBondContact OG1-N 2.95Å; T42-H45 PolarHBondContact N-ND1 2.97Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.4Å; T42-H45 PolarHBondContact OG1-ND1 2.86Å; T42-W46 PolarHBondContact O-N 3.15Å
43A97.2Very high96.9Very high0 Ų037.1 Ų37.10%020%0.197CC..Hα-helixtrans-51.6-33.1171.900000113A14 H45 W46 A47 L59A14-A43 HydrophobicContact CB-CB 3.84Å; A14-A43 WeakPolarHBondContact CB-O 3.5Å; A43-H45 PolarHBondContact O-N 3.33Å; A43-W46 PolarHBondContact O-N 3.25Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 3.05Å; A43-L59 HydrophobicContact CB-CD1 4.08Å
44L98.3Very high97.1Very high1 Ų143.2 Ų43.21%0.00522%0.224CC..Hα-helixtrans-63.1-41.4178-178.462.2000112.2T42 W46 A47 C48 V56 L59 L60 V64 P76 L92T42-L44 PolarHBondContact O-N 3.03Å; T42-L44 VanDerWaalsContact O-N 3.11Å; T42-L44 PolarHBondContact OG1-N 2.95Å; L44-W46 PolarHBondContact O-N 3.25Å; L44-A47 PolarHBondContact O-N 2.92Å; L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.04Å; L44-C48 PolarHBondContact O-SG 3.07Å; L44-V56 HydrophobicContact CD1-CB 4.48Å; L44-V56 HydrophobicContact CD1-CG1 4.01Å; L44-V56 HydrophobicContact CD1-CG2 4.27Å; L44-L59 HydrophobicContact CB-CD1 4.16Å; L44-L59 HydrophobicContact CD1-CB 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.35Å; L44-L60 HydrophobicContact CD1-CD2 4.46Å; L44-L60 HydrophobicContact CD2-CD2 4.41Å; L44-V64 HydrophobicContact CD2-CG2 3.93Å; L44-P76 HydrophobicContact CD2-CB 4.12Å; L44-P76 HydrophobicContact CD2-CG 3.73Å; L44-P76 HydrophobicContact CG-CB 4.13Å; L44-P76 HydrophobicContact CG-CG 4Å; L44-L92 HydrophobicContact CD2-CD2 4.47Å
45H98.4Very high97.2Very high3 Ų340.1 Ų40.11%0.01421%0.205CC..Hα-helixtrans-61.6-45.9178.4-67.581.3000111R41 T42 A43 C48 S49 D68 W74 I79R41-H45 HydrophobicContact CB-CB 3.94Å; R41-H45 HydrophobicContact CG-CB 4.02Å; T42-H45 PolarHBondContact N-ND1 2.97Å; T42-H45 WeakPolarHBondContact O-CB 3.48Å; T42-H45 PolarHBondContact O-N 3.4Å; T42-H45 PolarHBondContact OG1-ND1 2.86Å; A43-H45 PolarHBondContact O-N 3.33Å; H45-C48 PolarHBondContact O-N 3.39Å; H45-S49 PolarHBondContact O-N 3.21Å; H45-D68 PolarHBondContact NE2-O 2.74Å; H45-W74 PolarHBondContact NE2-O 3.2Å; H45-I79 HydrophobicContact CB-CD1 3.79Å
46W97.8Very high97.3Very high21 Ų2133.9 Ų33.98%0.0818%0.181CC..Hα-helixtrans-69.2-40.6-179.5-70.8107.9000112.9V5 C11 A14 Y15 D37 T42 A43 L44 C48 S49 A50V5-W46 HydrophobicContact CB-CE3 4.45Å; V5-W46 HydrophobicContact CB-CH2 3.9Å; V5-W46 HydrophobicContact CB-CZ3 3.83Å; V5-W46 HydrophobicContact CG2-CD2 4.33Å; V5-W46 HydrophobicContact CG2-CE3 3.92Å; V5-W46 HydrophobicContact CG2-CH2 4.13Å; V5-W46 HydrophobicContact CG2-CZ3 3.82Å; V5-W46 WeakPolarHBondContact O-CH2 3.4Å; C11-W46 VanDerWaalsContact CB-CD1 3.43Å; C11-W46 HydrophobicContact CB-CG 4.18Å; A14-W46 HydrophobicContact CB-CB 4.39Å; Y15-W46 AromaticContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CE3 3.73Å; Y15-W46 HydrophobicContact CD2-CZ3 4.3Å; Y15-W46 HydrophobicContact CE2-CE3 4.33Å; Y15-W46 HydrophobicContact CG-CE3 4.29Å; D37-W46 PolarHBondContact OD2-NE1 3.18Å; T42-W46 PolarHBondContact O-N 3.15Å; A43-W46 PolarHBondContact O-N 3.25Å; L44-W46 PolarHBondContact O-N 3.25Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 3.31Å; W46-S49 PolarHBondContact O-N 3.09Å; W46-A50 WeakPolarHBondContact O-CB 3.24Å; W46-A50 PolarHBondContact O-N 3.35Å
47A97.8Very high97.4Very high0 Ų035.1 Ų35.10%018%0.183CC..Hα-helixtrans-61.2-41.4173.100000111.8A14 A43 L44 A50 G51 H52 I55 V56 L59A14-A47 HydrophobicContact CB-CB 4.35Å; A43-A47 WeakPolarHBondContact O-CB 3.4Å; A43-A47 PolarHBondContact O-N 3.05Å; L44-A47 PolarHBondContact O-N 2.92Å; A47-A50 PolarHBondContact O-N 3.49Å; A47-G51 PolarHBondContact O-N 2.95Å; A47-H52 PolarHBondContact O-N 3.45Å; A47-I55 HydrophobicContact CB-CB 4.22Å; A47-I55 HydrophobicContact CB-CG2 3.58Å; A47-V56 HydrophobicContact CB-CG2 3.69Å; A47-L59 HydrophobicContact CB-CD1 4.48Å
48C98.1Very high97.4Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-63.7-39.5174.5-68.60000112.4L44 H45 W46 I79 A80 R85 I88L44-C48 WeakPolarHBondContact O-CB 3.42Å; L44-C48 PolarHBondContact O-N 3.04Å; L44-C48 PolarHBondContact O-SG 3.07Å; H45-C48 PolarHBondContact O-N 3.39Å; W46-C48 VanDerWaalsContact C-N 3.33Å; W46-C48 PolarHBondContact O-N 3.31Å; C48-I79 HydrophobicContact CB-CB 4.42Å; C48-I79 HydrophobicContact CB-CG2 4.12Å; C48-A80 HydrophobicContact CB-CB 4.34Å; C48-R85 WeakPolarHBondContact O-CG 3.42Å; C48-I88 HydrophobicContact CB-CG2 4.22Å
49S97.3Very high97.5Very high40 Ų4031.7 Ų31.728%0.2817%0.166SC..Hα-helixtrans-64.8-48.2177.1-174.40000111.5H45 W46 G51 I79 R85H45-S49 PolarHBondContact O-N 3.21Å; W46-S49 PolarHBondContact O-N 3.09Å; S49-G51 PolarHBondContact O-N 2.86Å; S49-I79 VanDerWaalsContact CA-CG2 3.47Å; S49-R85 PolarHBondContact O-NE 3.11Å; S49-R85 PolarHBondContact O-NH2 3.01Å
50A96.7Very high97.6Very high24 Ų2429.1 Ų29.120%0.19815%0.152CC..Hα-helixtrans-72.3-28.1-177.200000113.2Y15 W46 A47 H52 R85Y15-A50 HydrophobicContact CD2-CB 3.95Å; Y15-A50 HydrophobicContact CE2-CB 4.33Å; Y15-A50 VanDerWaalsContact O-CB 3.22Å; Y15-A50 WeakPolarHBondContact O-CB 3.3Å; W46-A50 WeakPolarHBondContact O-CB 3.24Å; W46-A50 PolarHBondContact O-N 3.35Å; A47-A50 PolarHBondContact O-N 3.49Å; A50-H52 WeakPolarHBondContact CB-CD2 3.18Å; A50-H52 WeakPolarHBondContact CB-NE2 3.38Å; A50-R85 PolarHBondContact O-NH2 3.15Å; A50-R85 VanDerWaalsContact O-NH2 3.13Å
51G97.1Very high97.6Very high22 Ų2233 Ų3323%0.22717%0.168CC..THydrogen-bonded Turntrans9222.3179.500000114.2A47 S49 T53A47-G51 PolarHBondContact O-N 2.95Å; S49-G51 PolarHBondContact O-N 2.86Å; G51-T53 PolarHBondContact O-N 3.32Å; G51-T53 VanDerWaalsContact O-N 3.13Å
52H97.9Very high97.4Very high61 Ų6133.8 Ų33.828%0.28218%0.177SC..  trans-84.286.3-178.6-62.4-54.8000111.1A14 Y15 G17 A47 A50 E54 I55 V56A14-H52 PolarHBondContact O-CD2 3.19Å; A14-H52 VanDerWaalsContact O-CD2 3.23Å; Y15-H52 PolarHBondContact O-CD2 2.79Å; Y15-H52 PolarHBondContact O-NE2 2.81Å; G17-H52 VanDerWaalsContact CA-CD2 3.45Å; G17-H52 WeakPolarHBondContact CA-CD2 3.11Å; G17-H52 VanDerWaalsContact CA-NE2 3.31Å; G17-H52 WeakPolarHBondContact CA-NE2 3.36Å; G17-H52 PolarHBondContact N-NE2 2.97Å; A47-H52 PolarHBondContact O-N 3.45Å; A50-H52 WeakPolarHBondContact CB-CD2 3.18Å; A50-H52 WeakPolarHBondContact CB-NE2 3.38Å; H52-E54 PolarHBondContact O-N 3.4Å; H52-I55 HydrophobicContact CB-CB 4.05Å; H52-I55 HydrophobicContact CB-CD1 3.9Å; H52-I55 HydrophobicContact CB-CG1 4.14Å; H52-I55 PolarHBondContact O-N 3.43Å; H52-V56 PolarHBondContact O-N 2.96Å; H52-V56 VanDerWaalsContact O-N 3.07Å
53T97.8Very high97.3Very high46 Ų4636.5 Ų36.528%0.28221%0.205SC..Hα-helixtrans-55.5-45.2-175.4-51.80000112.8G51 I55 V56 E57 E87G51-T53 PolarHBondContact O-N 3.32Å; G51-T53 VanDerWaalsContact O-N 3.13Å; T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.95Å; T53-V56 PolarHBondContact O-N 2.96Å; T53-V56 VanDerWaalsContact O-N 3.15Å; T53-E57 HydrophobicContact CG2-CG 4.33Å; T53-E57 WeakPolarHBondContact O-CG 3.33Å; T53-E57 PolarHBondContact O-N 3.3Å; T53-E87 HydrophobicContact CG2-CB 3.97Å
54E97.8Very high97.3Very high134 Ų13437.1 Ų37.163%0.62621%0.209SC*.Hα-helixtrans-62.3-36.7-179.6-64-175.4-179.900112.9L19 H52 F58L19-E54 HydrophobicContact CD2-CB 4Å; L19-E54 WeakPolarHBondContact CD2-OE2 3.36Å; H52-E54 PolarHBondContact O-N 3.4Å; E54-F58 WeakPolarHBondContact O-CB 3.47Å; E54-F58 PolarHBondContact O-N 2.99Å
55I98Very high97.2Very high3 Ų339.9 Ų39.92%0.01523%0.227CC..Hα-helixtrans-67.6-45.3175.5-69.4177.1000110A14 L19 L22 A47 H52 T53 F58 L59A14-I55 HydrophobicContact CB-CG2 4.41Å; L19-I55 HydrophobicContact CB-CG1 4.12Å; L19-I55 HydrophobicContact CD1-CB 4.37Å; L19-I55 HydrophobicContact CD1-CG1 3.59Å; L19-I55 HydrophobicContact CG-CG1 4.44Å; L22-I55 HydrophobicContact CD2-CB 4.4Å; L22-I55 HydrophobicContact CD2-CD1 4.32Å; L22-I55 HydrophobicContact CD2-CG1 4.22Å; L22-I55 HydrophobicContact CD2-CG2 3.42Å; L22-I55 VanDerWaalsContact CD2-CG2 3.42Å; A47-I55 HydrophobicContact CB-CB 4.22Å; A47-I55 HydrophobicContact CB-CG2 3.58Å; H52-I55 HydrophobicContact CB-CB 4.05Å; H52-I55 HydrophobicContact CB-CD1 3.9Å; H52-I55 HydrophobicContact CB-CG1 4.14Å; H52-I55 PolarHBondContact O-N 3.43Å; T53-I55 VanDerWaalsContact C-N 3.31Å; T53-I55 PolarHBondContact O-N 2.95Å; I55-F58 PolarHBondContact O-N 3.36Å; I55-L59 HydrophobicContact CG2-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.2Å; I55-L59 PolarHBondContact O-N 3.19Å
56V98.3Very high97.2Very high0 Ų040.4 Ų40.40%023%0.231CC..Hα-helixtrans-59.3-49.9177170.10000110.4L44 A47 H52 T53 F58 L59 L60 I88L44-V56 HydrophobicContact CD1-CB 4.48Å; L44-V56 HydrophobicContact CD1-CG1 4.01Å; L44-V56 HydrophobicContact CD1-CG2 4.27Å; A47-V56 HydrophobicContact CB-CG2 3.69Å; H52-V56 PolarHBondContact O-N 2.96Å; H52-V56 VanDerWaalsContact O-N 3.07Å; T53-V56 PolarHBondContact O-N 2.96Å; T53-V56 VanDerWaalsContact O-N 3.15Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.41Å; V56-L59 PolarHBondContact O-N 3.05Å; V56-L60 HydrophobicContact CG1-CD1 3.59Å; V56-L60 HydrophobicContact CG1-CG 4.02Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.45Å; V56-I88 HydrophobicContact CB-CG1 4.35Å; V56-I88 HydrophobicContact CG1-CG2 4.2Å; V56-I88 HydrophobicContact CG2-CD1 3.85Å; V56-I88 HydrophobicContact CG2-CG1 4.08Å; V56-I88 HydrophobicContact CG2-CG2 4.19Å
57E97.8Very high97.2Very high88 Ų8841.7 Ų41.741%0.41124%0.239SC..Hα-helixtrans-58.6-43.7179.2-73.2180175.900112.1T53 L60 Q61T53-E57 HydrophobicContact CG2-CG 4.33Å; T53-E57 WeakPolarHBondContact O-CG 3.33Å; T53-E57 PolarHBondContact O-N 3.3Å; E57-L60 PolarHBondContact O-N 3.41Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.23Å; E57-Q61 WeakPolarHBondContact O-CG 3.3Å; E57-Q61 PolarHBondContact O-N 3.02Å
58F97.4Very high97.2Very high34 Ų3445 Ų4515%0.14926%0.257CS..Hα-helixtrans-58.9-49.1174.7172.5-110.5000112L19 K23 I26 E54 I55 V56 L60 Q61 L62L19-F58 HydrophobicContact CD1-CB 4.39Å; K23-F58 HydrophobicContact CB-CZ 4.33Å; K23-F58 HydrophobicContact CG-CD1 4.11Å; K23-F58 HydrophobicContact CG-CD2 4.28Å; K23-F58 HydrophobicContact CG-CE1 3.76Å; K23-F58 HydrophobicContact CG-CE2 3.95Å; K23-F58 HydrophobicContact CG-CG 4.35Å; K23-F58 HydrophobicContact CG-CZ 3.68Å; I26-F58 HydrophobicContact CD1-CE1 3.99Å; E54-F58 WeakPolarHBondContact O-CB 3.47Å; E54-F58 PolarHBondContact O-N 2.99Å; I55-F58 PolarHBondContact O-N 3.36Å; V56-F58 VanDerWaalsContact C-N 3.32Å; V56-F58 PolarHBondContact O-N 3.41Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.43Å; F58-Q61 WeakPolarHBondContact O-CB 3.28Å; F58-Q61 PolarHBondContact O-N 3.2Å; F58-L62 HydrophobicContact CD1-CD1 4.38Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.31Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.74Å; F58-L62 HydrophobicContact CZ-CD2 4.49Å; F58-L62 HydrophobicContact CZ-CG 4.3Å; F58-L62 PolarHBondContact O-N 3.4Å
59L97.1Very high97.2Very high0 Ų048.7 Ų48.70%027%0.273CS..Hα-helixtrans-61.9-40.6178-68.3171.9000111.7I26 A33 A43 L44 A47 I55 V56 Q61 L62 G63 V64I26-L59 HydrophobicContact CD1-CD2 3.7Å; A33-L59 HydrophobicContact CB-CD2 4.47Å; A43-L59 HydrophobicContact CB-CD1 4.08Å; L44-L59 HydrophobicContact CB-CD1 4.16Å; L44-L59 HydrophobicContact CD1-CB 4.4Å; L44-L59 HydrophobicContact CD1-CD1 4.35Å; A47-L59 HydrophobicContact CB-CD1 4.48Å; I55-L59 HydrophobicContact CG2-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CG 4.34Å; I55-L59 VanDerWaalsContact O-CG 3.28Å; I55-L59 WeakPolarHBondContact O-CG 3.2Å; I55-L59 PolarHBondContact O-N 3.19Å; V56-L59 PolarHBondContact O-N 3.05Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.3Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 PolarHBondContact O-N 2.86Å; L59-G63 PolarHBondContact O-N 3.45Å; L59-V64 HydrophobicContact CB-CG2 4.14Å; L59-V64 WeakPolarHBondContact O-CG2 3.4Å
60L97.1Very high97.3Very high8 Ų847.1 Ų47.14%0.04226%0.261CS..Hα-helixtrans-67.8-29.7177.2-68.9179.4000113.3L44 V56 E57 F58 L62 G63 V66 A91 L92 K95L44-L60 HydrophobicContact CD1-CD2 4.46Å; L44-L60 HydrophobicContact CD2-CD2 4.41Å; V56-L60 HydrophobicContact CG1-CD1 3.59Å; V56-L60 HydrophobicContact CG1-CG 4.02Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 WeakPolarHBondContact O-CG 3.37Å; V56-L60 PolarHBondContact O-N 3.45Å; E57-L60 PolarHBondContact O-N 3.41Å; F58-L60 VanDerWaalsContact C-N 3.33Å; F58-L60 PolarHBondContact O-N 3.43Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L60-G63 PolarHBondContact O-N 3.05Å; L60-V66 HydrophobicContact CD2-CB 4.48Å; L60-V66 HydrophobicContact CD2-CG1 3.27Å; L60-A91 HydrophobicContact CD1-CB 3.87Å; L60-L92 HydrophobicContact CD1-CD2 4.34Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; L60-K95 HydrophobicContact CB-CG 4.13Å; L60-K95 HydrophobicContact CD1-CG 4.04Å; L60-K95 HydrophobicContact CD2-CB 4.31Å; L60-K95 HydrophobicContact CD2-CG 4.2Å; L60-K95 HydrophobicContact CG-CG 4.35Å
61Q96.3Very high97.3Very high144 Ų14450.4 Ų50.467%0.67328%0.276SS*.Hα-helixtrans-70.6-30.6172.7-74.2169.414.600112.1E57 F58 L59 G63E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 VanDerWaalsContact O-CG 3.23Å; E57-Q61 WeakPolarHBondContact O-CG 3.3Å; E57-Q61 PolarHBondContact O-N 3.02Å; F58-Q61 WeakPolarHBondContact O-CB 3.28Å; F58-Q61 PolarHBondContact O-N 3.2Å; L59-Q61 VanDerWaalsContact C-N 3.33Å; L59-Q61 PolarHBondContact O-N 3.3Å; Q61-G63 PolarHBondContact O-N 3.44Å
62L94.9Very high97.3Very high76 Ų7651 Ų5140%0.39828%0.279SS..THydrogen-bonded Turntrans-71.5-11.2173.4-65.5174.7000113.4I26 A33 F58 L59 L60 V64I26-L62 HydrophobicContact CG2-CD1 3.65Å; A33-L62 HydrophobicContact CB-CD1 4.47Å; F58-L62 HydrophobicContact CD1-CD1 4.38Å; F58-L62 HydrophobicContact CE1-CD1 3.78Å; F58-L62 HydrophobicContact CE2-CD1 4.31Å; F58-L62 HydrophobicContact CE2-CD2 4.49Å; F58-L62 HydrophobicContact CE2-CG 4.4Å; F58-L62 HydrophobicContact CZ-CD1 3.74Å; F58-L62 HydrophobicContact CZ-CD2 4.49Å; F58-L62 HydrophobicContact CZ-CG 4.3Å; F58-L62 PolarHBondContact O-N 3.4Å; L59-L62 WeakPolarHBondContact O-CB 3.34Å; L59-L62 PolarHBondContact O-N 2.86Å; L60-L62 VanDerWaalsContact C-N 3.33Å; L62-V64 HydrophobicContact CB-CG1 4.45Å
63G94.8Very high97.4Very high61 Ų6148.7 Ų48.763%0.62927%0.271SS*.THydrogen-bonded Turntrans77.129.3179.500000113.6L59 L60 Q61L59-G63 PolarHBondContact O-N 3.45Å; L60-G63 PolarHBondContact O-N 3.05Å; Q61-G63 PolarHBondContact O-N 3.44Å
64V96.1Very high97.4Very high13 Ų1348.8 Ų48.88%0.07927%0.266CS..  trans-61.5148.6172.5-56.10000110.5A33 T34 L44 L59 L62 V66A33-V64 HydrophobicContact CB-CG1 3.95Å; T34-V64 HydrophobicContact CG2-CB 4.18Å; T34-V64 HydrophobicContact CG2-CG1 4.03Å; L44-V64 HydrophobicContact CD2-CG2 3.93Å; L59-V64 HydrophobicContact CB-CG2 4.14Å; L59-V64 WeakPolarHBondContact O-CG2 3.4Å; L62-V64 HydrophobicContact CB-CG1 4.45Å; V64-V66 PolarHBondContact O-N 3.43Å
65P97.5Very high97.4Very high59 Ų5942.4 Ų42.438%0.38324%0.236SC..  trans-60.9127.8175.9-20.732.1000111.5D68P65-D68 WeakPolarHBondContact CB-OD1 3.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.46Å
66V97.6Very high97.5Very high15 Ų1542.3 Ų42.39%0.09124%0.236CC..SBendtrans-92.2-9.9-177.2-57.30000113.8L60 V64 P76 L92 K95 A97L60-V66 HydrophobicContact CD2-CB 4.48Å; L60-V66 HydrophobicContact CD2-CG1 3.27Å; V64-V66 PolarHBondContact O-N 3.43Å; V66-P76 WeakPolarHBondContact O-CD 3.47Å; V66-L92 HydrophobicContact CB-CD2 4.45Å; V66-K95 HydrophobicContact CG1-CB 4.1Å; V66-A97 HydrophobicContact CG2-CB 4.36Å
67N98.3Very high97.5Very high48 Ų4842.3 Ų42.326%0.25724%0.236SC..SBendtrans-113.52.3-172.5-68.4-48.6000113.4G96 A97 Q98N67-G96 PolarHBondContact ND2-O 3.44Å; N67-A97 WeakPolarHBondContact OD1-CA 3.41Å; N67-Q98 PolarHBondContact OD1-N 2.94Å
68D97.9Very high97.5Very high70 Ų7038.1 Ų38.137%0.37422%0.216SC..  trans-58.9145.9173.7-71.5-6.4000109.6H45 P65 S75 P76H45-D68 PolarHBondContact NE2-O 2.74Å; P65-D68 WeakPolarHBondContact CB-OD1 3.46Å; P65-D68 WeakPolarHBondContact CB-OD2 3.46Å; D68-S75 WeakPolarHBondContact O-CA 3.49Å; D68-P76 WeakPolarHBondContact O-CD 3.39Å
69K98.4Very high97.6Very high76 Ų7637 Ų3733%0.3321%0.212SC..  trans-116.8140.1-177.3-66.9179.6-179.9-176.60109.8N40 G73 W74 V102N40-K69 PolarHBondContact ND2-O 2.9Å; K69-G73 WeakPolarHBondContact CD-O 3.35Å; K69-W74 WeakPolarHBondContact CA-O 3.43Å; K69-V102 WeakPolarHBondContact CE-O 3.48Å; K69-V102 PolarHBondContact NZ-O 2.98Å
70D98Very high97.7Very high8 Ų837 Ų374%0.04321%0.212CC..  trans-70.3178169.578.62.6000112.1D39 R41 A72 G73 W74D39-D70 WeakPolarHBondContact O-CB 3.49Å; R41-D70 HydrophobicContact CG-CB 3.49Å; R41-D70 VanDerWaalsContact CG-CB 3.49Å; R41-D70 IonicContact CZ-OD2 3.23Å; R41-D70 VanDerWaalsContact CZ-OD2 3.23Å; R41-D70 IonicContact NE-OD2 2.81Å; R41-D70 PolarHBondContact NE-OD2 3.41Å; R41-D70 IonicContact NH2-OD2 2.77Å; R41-D70 PolarHBondContact NH2-OD2 3.2Å; D70-A72 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 WeakPolarHBondContact OD1-CA 3.49Å; D70-A72 WeakPolarHBondContact OD1-CB 3.23Å; D70-A72 PolarHBondContact OD1-N 3.16Å; D70-G73 WeakPolarHBondContact O-CA 3.03Å; D70-G73 PolarHBondContact O-N 2.84Å; D70-G73 PolarHBondContact OD1-N 2.95Å; D70-G73 VanDerWaalsContact OD1-N 3.13Å; D70-W74 PolarHBondContact N-O 2.92Å; D70-W74 WeakPolarHBondContact OD1-CB 3.4Å; D70-W74 PolarHBondContact OD1-N 3.21Å
71D97.7Very high97.7Very high93 Ų9336.7 Ų36.750%0.49721%0.21SC..THydrogen-bonded Turntrans-63.6-16.2-178.8-77.2-24.8000114.1D39 N40 Q104D39-D71 VanDerWaalsContact C-OD2 3.25Å; D39-D71 WeakPolarHBondContact CA-OD2 3.45Å; D39-D71 PolarHBondContact O-N 2.99Å; N40-D71 WeakPolarHBondContact CB-OD1 3.35Å; D71-Q104 PolarHBondContact O-NE2 3.24Å
72A97.7Very high97.9Very high35 Ų3531 Ų3129%0.28919%0.186SC..THydrogen-bonded Turntrans-94.65.6172.800000112.4D70 W74 Q104D70-A72 PolarHBondContact O-N 2.69Å; D70-A72 VanDerWaalsContact O-N 3.12Å; D70-A72 WeakPolarHBondContact OD1-CA 3.49Å; D70-A72 WeakPolarHBondContact OD1-CB 3.23Å; D70-A72 PolarHBondContact OD1-N 3.16Å; A72-W74 VanDerWaalsContact C-N 3.31Å; A72-Q104 WeakPolarHBondContact O-CB 3.32Å; A72-Q104 WeakPolarHBondContact O-CG 3.44Å; A72-Q104 PolarHBondContact O-N 3.21Å; A72-Q104 VanDerWaalsContact O-N 3.13Å
73G98.3Very high98Very high11 Ų1128.7 Ų28.711%0.11318%0.178CC..  trans77.810-177.300000114.2K69 D70 S75 N103K69-G73 WeakPolarHBondContact CD-O 3.35Å; D70-G73 WeakPolarHBondContact O-CA 3.03Å; D70-G73 PolarHBondContact O-N 2.84Å; D70-G73 PolarHBondContact OD1-N 2.95Å; D70-G73 VanDerWaalsContact OD1-N 3.13Å; G73-S75 PolarHBondContact O-N 3.24Å; G73-N103 VanDerWaalsContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CB 3.45Å
74W98.6Very high98.2Very high48 Ų4826.8 Ų26.818%0.18216%0.158CC..  trans-78.8124.1-179.8-71.660.9000110.6H45 K69 D70 A72 H78 I79 N103 Y112H45-W74 PolarHBondContact NE2-O 3.2Å; K69-W74 WeakPolarHBondContact CA-O 3.43Å; D70-W74 PolarHBondContact N-O 2.92Å; D70-W74 WeakPolarHBondContact OD1-CB 3.4Å; D70-W74 PolarHBondContact OD1-N 3.21Å; A72-W74 VanDerWaalsContact C-N 3.31Å; W74-H78 HydrophobicContact CB-CB 4.28Å; W74-H78 HydrophobicContact CD2-CB 4.02Å; W74-H78 HydrophobicContact CE3-CB 3.4Å; W74-H78 VanDerWaalsContact CE3-CB 3.4Å; W74-H78 HydrophobicContact CG-CB 4.41Å; W74-H78 HydrophobicContact CZ3-CB 4Å; W74-I79 HydrophobicContact CB-CG1 4.28Å; W74-I79 HydrophobicContact CE3-CG1 3.87Å; W74-N103 HydrophobicContact CG-CB 4.48Å; W74-N103 PolarHBondContact NE1-ND2 3.23Å; W74-Y112 AromaticContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD2 4.2Å; W74-Y112 AromaticContact CH2-CE1 3.3Å; W74-Y112 HydrophobicContact CH2-CE1 3.3Å; W74-Y112 AromaticContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CG 4.12Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 VanDerWaalsContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.37Å; W74-Y112 AromaticContact CZ2-CE1 3.54Å; W74-Y112 HydrophobicContact CZ2-CE1 3.54Å; W74-Y112 AromaticContact CZ2-CE2 3.98Å; W74-Y112 HydrophobicContact CZ2-CE2 3.98Å; W74-Y112 AromaticContact CZ2-CZ 3.31Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.36Å; W74-Y112 HydrophobicContact CZ3-CD1 4.44Å; W74-Y112 HydrophobicContact CZ3-CD2 4.43Å; W74-Y112 HydrophobicContact CZ3-CE1 4.36Å; W74-Y112 HydrophobicContact CZ3-CE2 4.34Å; W74-Y112 HydrophobicContact CZ3-CG 4.49Å
75S98.6Very high98.3Very high0 Ų030.4 Ų30.40%017%0.17CC..  trans-82.7163.7166.674.50000111.5D68 G73 L77 H78 I79D68-S75 WeakPolarHBondContact O-CA 3.49Å; G73-S75 PolarHBondContact O-N 3.24Å; S75-L77 PolarHBondContact O-N 3.1Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 2.91Å; S75-H78 PolarHBondContact N-ND1 3.12Å; S75-H78 WeakPolarHBondContact O-CB 3.08Å; S75-H78 PolarHBondContact O-N 2.95Å; S75-H78 PolarHBondContact OG-ND1 3.17Å; S75-I79 PolarHBondContact O-N 3.06Å
76P98.6Very high98.3Very high1 Ų130.5 Ų30.51%0.00617%0.168CC..Hα-helixtrans-50-36.8172.1-30.535.7000113.5L44 V66 D68 I79 A80 L92L44-P76 HydrophobicContact CD2-CB 4.12Å; L44-P76 HydrophobicContact CD2-CG 3.73Å; L44-P76 HydrophobicContact CG-CB 4.13Å; L44-P76 HydrophobicContact CG-CG 4Å; V66-P76 WeakPolarHBondContact O-CD 3.47Å; D68-P76 WeakPolarHBondContact O-CD 3.39Å; P76-I79 PolarHBondContact O-N 2.89Å; P76-A80 WeakPolarHBondContact O-CB 3.47Å; P76-A80 PolarHBondContact O-N 2.69Å; P76-L92 HydrophobicContact CB-CD1 4.08Å; P76-L92 HydrophobicContact CB-CD2 4.09Å
77L98.8Very high98.3Very high0 Ų035 Ų350%019%0.188CC..Hα-helixtrans-67-36.1178.1-171.761.5000112.7S75 A81 V89 L92 L93 A97 P109 L125S75-L77 PolarHBondContact O-N 3.1Å; S75-L77 VanDerWaalsContact O-N 3.11Å; S75-L77 PolarHBondContact OG-N 2.91Å; L77-A81 WeakPolarHBondContact O-CB 3.32Å; L77-A81 PolarHBondContact O-N 3.19Å; L77-V89 HydrophobicContact CD1-CB 4.46Å; L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.28Å; L77-L92 HydrophobicContact CB-CD1 4.41Å; L77-L92 HydrophobicContact CD1-CB 4.3Å; L77-L92 HydrophobicContact CD1-CD1 4.3Å; L77-L93 HydrophobicContact CD1-CD2 4.3Å; L77-L93 HydrophobicContact CD1-CG 4.46Å; L77-L93 HydrophobicContact CD2-CD2 4Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.06Å; L77-P109 HydrophobicContact CB-CG 4.29Å; L77-P109 HydrophobicContact CD2-CB 4.46Å; L77-P109 HydrophobicContact CD2-CG 3.98Å; L77-P109 HydrophobicContact CG-CB 4.1Å; L77-P109 HydrophobicContact CG-CG 3.85Å; L77-L125 HydrophobicContact CD1-CD2 4.16Å; L77-L125 HydrophobicContact CD2-CD2 3.98Å; L77-L125 HydrophobicContact CG-CD2 4.23Å
78H98.8Very high98.3Very high0 Ų032.8 Ų32.80%018%0.176CC..Hα-helixtrans-62.7-46.3173.4-69.484.4000111.1W74 S75 A81 S82 A101 C107 Y112W74-H78 HydrophobicContact CB-CB 4.28Å; W74-H78 HydrophobicContact CD2-CB 4.02Å; W74-H78 HydrophobicContact CE3-CB 3.4Å; W74-H78 VanDerWaalsContact CE3-CB 3.4Å; W74-H78 HydrophobicContact CG-CB 4.41Å; W74-H78 HydrophobicContact CZ3-CB 4Å; S75-H78 PolarHBondContact N-ND1 3.12Å; S75-H78 WeakPolarHBondContact O-CB 3.08Å; S75-H78 PolarHBondContact O-N 2.95Å; S75-H78 PolarHBondContact OG-ND1 3.17Å; H78-A81 PolarHBondContact O-N 2.88Å; H78-S82 VanDerWaalsContact O-CB 3.29Å; H78-S82 WeakPolarHBondContact O-CB 3.32Å; H78-S82 PolarHBondContact O-N 3.14Å; H78-A101 PolarHBondContact CE1-O 3.44Å; H78-A101 PolarHBondContact NE2-O 2.94Å; H78-A101 VanDerWaalsContact NE2-O 3.14Å; H78-C107 PolarHBondContact NE2-O 3.01Å; H78-Y112 AromaticContact CD2-CE2 4Å
79I98.6Very high98.4Very high12 Ų1229.4 Ų29.46%0.06216%0.158CC..Hα-helixtrans-62.5-50.8-178.9-63.2177.1000109.7H45 C48 S49 W74 S75 P76 A81 S82 A83H45-I79 HydrophobicContact CB-CD1 3.79Å; C48-I79 HydrophobicContact CB-CB 4.42Å; C48-I79 HydrophobicContact CB-CG2 4.12Å; S49-I79 VanDerWaalsContact CA-CG2 3.47Å; W74-I79 HydrophobicContact CB-CG1 4.28Å; W74-I79 HydrophobicContact CE3-CG1 3.87Å; S75-I79 PolarHBondContact O-N 3.06Å; P76-I79 PolarHBondContact O-N 2.89Å; I79-A81 PolarHBondContact O-N 3.15Å; I79-S82 PolarHBondContact O-N 3.3Å; I79-A83 VanDerWaalsContact O-CB 3.23Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.24Å
80A98.7Very high98.4Very high0 Ų031.2 Ų31.20%017%0.166CC..Hα-helixtrans-60.6-43179.600000112.3C48 P76 A83 G84 R85 I88 V89 L92C48-A80 HydrophobicContact CB-CB 4.34Å; P76-A80 WeakPolarHBondContact O-CB 3.47Å; P76-A80 PolarHBondContact O-N 2.69Å; A80-A83 PolarHBondContact O-N 3.41Å; A80-G84 PolarHBondContact O-N 3.43Å; A80-R85 HydrophobicContact CB-CB 4.43Å; A80-R85 PolarHBondContact O-N 3.3Å; A80-I88 HydrophobicContact CB-CB 4.43Å; A80-I88 HydrophobicContact CB-CG2 3.65Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; A80-L92 HydrophobicContact CB-CD1 3.98Å
81A98.7Very high98.4Very high0 Ų031.7 Ų31.70%017%0.171CC..Hα-helixtrans-65.5-43.6178.300000112.6L77 H78 I79 G84 P109 I121 L125L77-A81 WeakPolarHBondContact O-CB 3.32Å; L77-A81 PolarHBondContact O-N 3.19Å; H78-A81 PolarHBondContact O-N 2.88Å; I79-A81 PolarHBondContact O-N 3.15Å; A81-G84 PolarHBondContact O-N 2.88Å; A81-P109 HydrophobicContact CB-CB 3.92Å; A81-I121 HydrophobicContact CB-CG2 3.84Å; A81-L125 HydrophobicContact CB-CD1 4.4Å
82S98.5Very high98.4Very high25 Ų2527.3 Ų27.318%0.17515%0.147CC..Hα-helixtrans-65.7-42.8177-176.20000112.1H78 I79 G84H78-S82 VanDerWaalsContact O-CB 3.29Å; H78-S82 WeakPolarHBondContact O-CB 3.32Å; H78-S82 PolarHBondContact O-N 3.14Å; I79-S82 PolarHBondContact O-N 3.3Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.45Å
83A97.9Very high98.5Very high28 Ų2827.5 Ų27.523%0.23114%0.143CC..Hα-helixtrans-73.8-16.5-179.100000113.5I79 A80 R85 R118I79-A83 VanDerWaalsContact O-CB 3.23Å; I79-A83 WeakPolarHBondContact O-CB 3.39Å; I79-A83 PolarHBondContact O-N 3.24Å; A80-A83 PolarHBondContact O-N 3.41Å; A83-R85 HydrophobicContact CB-CG 3.91Å; A83-R118 PolarHBondContact O-NH2 2.98Å
84G98Very high98.4Very high20 Ų2032.6 Ų32.621%0.20617%0.172CC..THydrogen-bonded Turntrans79.642.3179.600000112.7A80 A81 S82A80-G84 PolarHBondContact O-N 3.43Å; A81-G84 PolarHBondContact O-N 2.88Å; S82-G84 VanDerWaalsContact C-N 3.28Å; S82-G84 PolarHBondContact O-N 3.45Å
85R98.3Very high98.4Very high90 Ų9035.4 Ų35.434%0.3419%0.186SC..  trans-101.883.7-177.2-48.7-52-173.9-177.62111.1C48 S49 A50 A80 A83 E87 I88 V89C48-R85 WeakPolarHBondContact O-CG 3.42Å; S49-R85 PolarHBondContact O-NE 3.11Å; S49-R85 PolarHBondContact O-NH2 3.01Å; A50-R85 PolarHBondContact O-NH2 3.15Å; A50-R85 VanDerWaalsContact O-NH2 3.13Å; A80-R85 HydrophobicContact CB-CB 4.43Å; A80-R85 PolarHBondContact O-N 3.3Å; A83-R85 HydrophobicContact CB-CG 3.91Å; R85-E87 PolarHBondContact O-N 3.39Å; R85-I88 HydrophobicContact CB-CB 3.79Å; R85-I88 HydrophobicContact CB-CD1 3.93Å; R85-I88 HydrophobicContact CB-CG1 4.18Å; R85-I88 HydrophobicContact CB-CG2 4.47Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.98Å; R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 2.88Å
86D98.1Very high98.3Very high61 Ų6137.7 Ų37.733%0.32621%0.209SC..Hα-helixtrans-57.5-52.4-170.5-57-14.9000112.9I88 V89 K90 I121 M124D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.28Å; D86-V89 PolarHBondContact O-N 3.41Å; D86-K90 PolarHBondContact O-N 3.25Å; D86-I121 WeakPolarHBondContact OD1-CD1 3.49Å; D86-I121 WeakPolarHBondContact OD1-CG1 3.39Å; D86-M124 HydrophobicContact CB-CE 4.04Å; D86-M124 WeakPolarHBondContact O-CE 3.48Å
87E98.4Very high98.3Very high109 Ų10938.1 Ų38.151%0.50921%0.212SC..Hα-helixtrans-65.1-34-179.5-62.7-56.1154.300112.8T53 R85 K90 A91T53-E87 HydrophobicContact CG2-CB 3.97Å; R85-E87 PolarHBondContact O-N 3.39Å; E87-K90 PolarHBondContact O-N 2.96Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 2.97Å
88I98.7Very high98.3Very high1 Ų143.2 Ų43.21%0.00524%0.236CC..Hα-helixtrans-69.5-43.4176.6-69.1177.2000110.4C48 V56 A80 R85 D86 K90 A91 L92C48-I88 HydrophobicContact CB-CG2 4.22Å; V56-I88 HydrophobicContact CB-CG1 4.35Å; V56-I88 HydrophobicContact CG1-CG2 4.2Å; V56-I88 HydrophobicContact CG2-CD1 3.85Å; V56-I88 HydrophobicContact CG2-CG1 4.08Å; V56-I88 HydrophobicContact CG2-CG2 4.19Å; A80-I88 HydrophobicContact CB-CB 4.43Å; A80-I88 HydrophobicContact CB-CG2 3.65Å; R85-I88 HydrophobicContact CB-CB 3.79Å; R85-I88 HydrophobicContact CB-CD1 3.93Å; R85-I88 HydrophobicContact CB-CG1 4.18Å; R85-I88 HydrophobicContact CB-CG2 4.47Å; R85-I88 HydrophobicContact CG-CD1 4.25Å; R85-I88 PolarHBondContact O-N 2.98Å; D86-I88 VanDerWaalsContact C-N 3.3Å; D86-I88 PolarHBondContact O-N 3.28Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.4Å; I88-A91 PolarHBondContact O-N 3.39Å; I88-L92 HydrophobicContact CG2-CD1 3.9Å; I88-L92 HydrophobicContact CG2-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.2Å
89V98.8Very high98.3Very high0 Ų044.2 Ų44.20%024%0.243CC..Hα-helixtrans-56.9-48.5174166.60000109.7L77 A80 R85 D86 A91 L92 L93 I121 M124L77-V89 HydrophobicContact CD1-CB 4.46Å; L77-V89 HydrophobicContact CD1-CG1 4.05Å; L77-V89 HydrophobicContact CD1-CG2 4.28Å; A80-V89 HydrophobicContact CB-CG2 3.74Å; R85-V89 WeakPolarHBondContact O-CG2 3.37Å; R85-V89 PolarHBondContact O-N 2.88Å; D86-V89 PolarHBondContact O-N 3.41Å; V89-A91 PolarHBondContact O-N 2.94Å; V89-L92 PolarHBondContact O-N 2.97Å; V89-L93 HydrophobicContact CG1-CD1 3.82Å; V89-L93 HydrophobicContact CG1-CG 4.27Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.1Å; V89-L93 PolarHBondContact O-N 3.36Å; V89-I121 HydrophobicContact CG1-CG2 4.29Å; V89-I121 HydrophobicContact CG2-CD1 3.99Å; V89-I121 HydrophobicContact CG2-CG1 4.15Å; V89-I121 HydrophobicContact CG2-CG2 4.08Å; V89-M124 HydrophobicContact CB-CE 4.33Å; V89-M124 HydrophobicContact CG1-CB 4.42Å; V89-M124 HydrophobicContact CG1-CE 4.17Å
90K98.4Very high98.3Very high113 Ų11347.1 Ų47.149%0.49126%0.258SS..Hα-helixtrans-57-48.2177.4-172.7179.9178.5-176.30112.1D86 E87 I88 L92 L93 V94 M124D86-K90 PolarHBondContact O-N 3.25Å; E87-K90 PolarHBondContact O-N 2.96Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 3.4Å; K90-L92 PolarHBondContact O-N 3.24Å; K90-L93 PolarHBondContact O-N 3.01Å; K90-V94 WeakPolarHBondContact O-CG2 3.44Å; K90-V94 PolarHBondContact O-N 2.88Å; K90-M124 HydrophobicContact CB-SD 3.94Å; K90-M124 HydrophobicContact CG-SD 4.48Å
91A98.3Very high98.3Very high19 Ų1947.4 Ų47.416%0.15726%0.26CS..Hα-helixtrans-61.6-42.1178.800000112.4L60 E87 I88 V89 V94 K95L60-A91 HydrophobicContact CD1-CB 3.87Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 2.97Å; I88-A91 PolarHBondContact O-N 3.39Å; V89-A91 PolarHBondContact O-N 2.94Å; A91-V94 PolarHBondContact O-N 2.98Å; A91-K95 WeakPolarHBondContact O-CG 3.37Å; A91-K95 PolarHBondContact O-N 3.26Å
92L98.5Very high98.3Very high0 Ų050.4 Ų50.40%028%0.278CS..Hα-helixtrans-63.7-44176.8-71.8172.2000111.9L44 L60 V66 P76 L77 A80 I88 V89 K90 K95 G96 A97L44-L92 HydrophobicContact CD2-CD2 4.47Å; L60-L92 HydrophobicContact CD1-CD2 4.34Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; V66-L92 HydrophobicContact CB-CD2 4.45Å; P76-L92 HydrophobicContact CB-CD1 4.08Å; P76-L92 HydrophobicContact CB-CD2 4.09Å; L77-L92 HydrophobicContact CB-CD1 4.41Å; L77-L92 HydrophobicContact CD1-CB 4.3Å; L77-L92 HydrophobicContact CD1-CD1 4.3Å; A80-L92 HydrophobicContact CB-CD1 3.98Å; I88-L92 HydrophobicContact CG2-CD1 3.9Å; I88-L92 HydrophobicContact CG2-CG 4.31Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 VanDerWaalsContact O-CG 3.25Å; I88-L92 WeakPolarHBondContact O-CG 3.47Å; I88-L92 PolarHBondContact O-N 3.2Å; V89-L92 PolarHBondContact O-N 2.97Å; K90-L92 PolarHBondContact O-N 3.24Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.17Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L92-G96 PolarHBondContact O-N 3.06Å; L92-A97 HydrophobicContact CB-CB 3.91Å; L92-A97 WeakPolarHBondContact O-CB 3.41Å; L92-A97 PolarHBondContact O-N 3.27Å
93L98.3Very high98.3Very high39 Ų3949.6 Ų49.620%0.20427%0.272CS..Hα-helixtrans-62.6-43.7178-68.4175.6000111.8L77 V89 K90 K95 G96 V99 M124 L125L77-L93 HydrophobicContact CD1-CD2 4.3Å; L77-L93 HydrophobicContact CD1-CG 4.46Å; L77-L93 HydrophobicContact CD2-CD2 4Å; V89-L93 HydrophobicContact CG1-CD1 3.82Å; V89-L93 HydrophobicContact CG1-CG 4.27Å; V89-L93 VanDerWaalsContact O-CG 3.26Å; V89-L93 WeakPolarHBondContact O-CG 3.1Å; V89-L93 PolarHBondContact O-N 3.36Å; K90-L93 PolarHBondContact O-N 3.01Å; L93-K95 PolarHBondContact O-N 3.44Å; L93-G96 PolarHBondContact O-N 3.49Å; L93-V99 HydrophobicContact CD2-CG1 3.34Å; L93-M124 HydrophobicContact CD1-CB 4.05Å; L93-L125 HydrophobicContact CD2-CD2 4.37Å
94V97.6Very high98.3Very high118 Ų11853.9 Ų53.972%0.71529%0.287SS*.Hα-helixtrans-59.3-31.3174.8169.80000111.9K90 A91 G96K90-V94 WeakPolarHBondContact O-CG2 3.44Å; K90-V94 PolarHBondContact O-N 2.88Å; A91-V94 PolarHBondContact O-N 2.98Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.41Å
95K97.8Very high98.3Very high108 Ų10856.7 Ų56.747%0.4730%0.298SS..THydrogen-bonded Turntrans-88.210.7177.5-66.7-69-175.51730114.2L60 V66 A91 L92 L93L60-K95 HydrophobicContact CB-CG 4.13Å; L60-K95 HydrophobicContact CD1-CG 4.04Å; L60-K95 HydrophobicContact CD2-CB 4.31Å; L60-K95 HydrophobicContact CD2-CG 4.2Å; L60-K95 HydrophobicContact CG-CG 4.35Å; V66-K95 HydrophobicContact CG1-CB 4.1Å; A91-K95 WeakPolarHBondContact O-CG 3.37Å; A91-K95 PolarHBondContact O-N 3.26Å; L92-K95 CarbonylContact O-C 3.59Å; L92-K95 PolarHBondContact O-N 3.17Å; L92-K95 VanDerWaalsContact O-N 3.13Å; L93-K95 PolarHBondContact O-N 3.44Å
96G96.9Very high98.3Very high48 Ų4852.5 Ų52.550%0.49528%0.283SS..THydrogen-bonded Turntrans8030.8174.700000114N67 L92 L93 V94N67-G96 PolarHBondContact ND2-O 3.44Å; L92-G96 PolarHBondContact O-N 3.06Å; L93-G96 PolarHBondContact O-N 3.49Å; V94-G96 VanDerWaalsContact C-N 3.3Å; V94-G96 PolarHBondContact O-N 3.41Å
97A98.3Very high98.3Very high9 Ų949.7 Ų49.77%0.07427%0.268CS..  trans-61136.416900000111.1V66 N67 L77 L92 V99V66-A97 HydrophobicContact CG2-CB 4.36Å; N67-A97 WeakPolarHBondContact OD1-CA 3.41Å; L77-A97 HydrophobicContact CB-CB 4.34Å; L77-A97 HydrophobicContact CD2-CB 4.06Å; L92-A97 HydrophobicContact CB-CB 3.91Å; L92-A97 WeakPolarHBondContact O-CB 3.41Å; L92-A97 PolarHBondContact O-N 3.27Å; A97-V99 PolarHBondContact O-N 3.42Å; A97-V99 VanDerWaalsContact O-N 3.15Å
98Q98.6Very high98.3Very high108 Ų10844.7 Ų44.751%0.50525%0.245SC..  trans-73.7104.7-178.7-71175.97.200110.7N67 N100 A101N67-Q98 PolarHBondContact OD1-N 2.94Å; Q98-N100 PolarHBondContact O-N 3.33Å; Q98-A101 HydrophobicContact CB-CB 3.99Å; Q98-A101 WeakPolarHBondContact O-CB 3.41Å; Q98-A101 PolarHBondContact O-N 3.33Å; Q98-A101 VanDerWaalsContact O-N 3.16Å
99V98.5Very high98.4Very high21 Ų2144.6 Ų44.613%0.12724%0.244CC..THydrogen-bonded Turntrans-59.1-30.3179.8-70.10000114.3L93 A97 P109 L125 A130L93-V99 HydrophobicContact CD2-CG1 3.34Å; A97-V99 PolarHBondContact O-N 3.42Å; A97-V99 VanDerWaalsContact O-N 3.15Å; V99-P109 WeakPolarHBondContact O-CD 3.35Å; V99-L125 HydrophobicContact CG1-CD2 4.47Å; V99-A130 HydrophobicContact CB-CB 4.34Å
100N98.6Very high98.4Very high73 Ų7344.7 Ų44.739%0.3925%0.245SC..THydrogen-bonded Turntrans-105.116.6-178.3-66.2-49.5000112.6Q98 G129 A130 N131Q98-N100 PolarHBondContact O-N 3.33Å; N100-G129 PolarHBondContact ND2-O 2.91Å; N100-G129 VanDerWaalsContact ND2-O 3.13Å; N100-A130 WeakPolarHBondContact OD1-CA 3.21Å; N100-N131 PolarHBondContact OD1-N 3.44Å
101A98.5Very high98.4Very high5 Ų539.4 Ų39.44%0.04122%0.222CC..  trans-58.7141.4171.400000109.8H78 Q98 T108 P109H78-A101 PolarHBondContact CE1-O 3.44Å; H78-A101 PolarHBondContact NE2-O 2.94Å; H78-A101 VanDerWaalsContact NE2-O 3.14Å; Q98-A101 HydrophobicContact CB-CB 3.99Å; Q98-A101 WeakPolarHBondContact O-CB 3.41Å; Q98-A101 PolarHBondContact O-N 3.33Å; Q98-A101 VanDerWaalsContact O-N 3.16Å; A101-T108 WeakPolarHBondContact O-CA 3.36Å; A101-P109 WeakPolarHBondContact O-CD 3.42Å
102V98.6Very high98.4Very high63 Ų6340 Ų4038%0.38222%0.22SC..  trans-113.4143.1177.4-64.70000111K69 G106 C107 T108K69-V102 WeakPolarHBondContact CE-O 3.48Å; K69-V102 PolarHBondContact NZ-O 2.98Å; V102-G106 WeakPolarHBondContact CG1-O 3.38Å; V102-C107 WeakPolarHBondContact CA-O 3.41Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å
103N98.6Very high98.4Very high8 Ų840 Ų404%0.04322%0.22CC..  trans-89.2-172.9169.771.16.6000112.1G73 W74 N105 G106 C107 Y112G73-N103 VanDerWaalsContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CA 3.28Å; G73-N103 WeakPolarHBondContact O-CB 3.45Å; W74-N103 HydrophobicContact CG-CB 4.48Å; W74-N103 PolarHBondContact NE1-ND2 3.23Å; N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.11Å; N103-N105 PolarHBondContact OD1-N 3.03Å; N103-N105 VanDerWaalsContact OD1-N 3.07Å; N103-G106 PolarHBondContact O-N 3.15Å; N103-C107 PolarHBondContact N-O 3.31Å; N103-C107 VanDerWaalsContact N-O 3.08Å; N103-C107 WeakPolarHBondContact OD1-CB 3.29Å; N103-C107 PolarHBondContact OD1-N 2.86Å; N103-C107 PolarHBondContact OD1-O 3.5Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.4Å; N103-Y112 PolarHBondContact ND2-OH 2.67Å
104Q98.4Very high98.4Very high119 Ų11938.1 Ų38.156%0.55621%0.21SC*.THydrogen-bonded Turntrans-60.5-20.8-178.7-78.7178.9-900114.9D71 A72 G106 H137D71-Q104 PolarHBondContact O-NE2 3.24Å; A72-Q104 WeakPolarHBondContact O-CB 3.32Å; A72-Q104 WeakPolarHBondContact O-CG 3.44Å; A72-Q104 PolarHBondContact O-N 3.21Å; A72-Q104 VanDerWaalsContact O-N 3.13Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; Q104-H137 PolarHBondContact O-CE1 2.72Å; Q104-H137 PolarHBondContact O-ND1 2.82Å
105N97.9Very high98.4Very high78 Ų7833.6 Ų33.642%0.41718%0.184SC..THydrogen-bonded Turntrans-92.35.4176.6-63.5-13.2000112.2N103 C107 D136 H137N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.11Å; N103-N105 PolarHBondContact OD1-N 3.03Å; N103-N105 VanDerWaalsContact OD1-N 3.07Å; N105-C107 PolarHBondContact O-N 3.27Å; N105-D136 WeakPolarHBondContact O-CB 3.42Å; N105-H137 WeakPolarHBondContact O-CB 3.45Å; N105-H137 PolarHBondContact O-N 3.08Å
106G98.4Very high98.4Very high3 Ų333.9 Ų33.93%0.03119%0.185CC..SBendtrans73.82.1-17300000113.7V102 N103 Q104 D136 H137V102-G106 WeakPolarHBondContact CG1-O 3.38Å; N103-G106 PolarHBondContact O-N 3.15Å; Q104-G106 VanDerWaalsContact C-N 3.32Å; G106-D136 WeakPolarHBondContact O-CA 3.41Å; G106-H137 PolarHBondContact N-CE1 3.5Å
107C98.8Very high98.5Very high2 Ų234.4 Ų34.41%0.01418%0.176CC..  trans-74.8134.2-177.5-68.30000110.4H78 V102 N103 N105 H111 Y112 R145H78-C107 PolarHBondContact NE2-O 3.01Å; V102-C107 WeakPolarHBondContact CA-O 3.41Å; N103-C107 PolarHBondContact N-O 3.31Å; N103-C107 VanDerWaalsContact N-O 3.08Å; N103-C107 WeakPolarHBondContact OD1-CB 3.29Å; N103-C107 PolarHBondContact OD1-N 2.86Å; N103-C107 PolarHBondContact OD1-O 3.5Å; N105-C107 PolarHBondContact O-N 3.27Å; C107-H111 HydrophobicContact CB-CB 4.16Å; C107-Y112 HydrophobicContact CB-CD2 4.4Å; C107-Y112 HydrophobicContact CB-CE2 3.54Å; C107-R145 PolarHBondContact SG-NH2 3.26Å
108T98.9Very high98.5Very high3 Ų338.1 Ų38.12%0.01819%0.189CC..  trans-87.1166.4167.968.70000111.7A101 V102 L110 H111 Y112 A134A101-T108 WeakPolarHBondContact O-CA 3.36Å; V102-T108 HydrophobicContact CG1-CG2 3.94Å; T108-L110 PolarHBondContact O-N 3.16Å; T108-L110 VanDerWaalsContact O-N 3.16Å; T108-L110 PolarHBondContact OG1-N 3Å; T108-H111 PolarHBondContact N-ND1 3.09Å; T108-H111 WeakPolarHBondContact O-CB 3.45Å; T108-H111 PolarHBondContact O-N 3.14Å; T108-H111 PolarHBondContact OG1-ND1 3.31Å; T108-Y112 WeakPolarHBondContact O-CD2 3.47Å; T108-A134 HydrophobicContact CG2-CB 3.87Å
109P98.8Very high98.5Very high0 Ų034.4 Ų34.40%017%0.171CC..Hα-helixtrans-53.7-33.5172.4-27.835.9000113.8L77 A81 V99 A101 H111 Y112 A113 L125L77-P109 HydrophobicContact CB-CG 4.29Å; L77-P109 HydrophobicContact CD2-CB 4.46Å; L77-P109 HydrophobicContact CD2-CG 3.98Å; L77-P109 HydrophobicContact CG-CB 4.1Å; L77-P109 HydrophobicContact CG-CG 3.85Å; A81-P109 HydrophobicContact CB-CB 3.92Å; V99-P109 WeakPolarHBondContact O-CD 3.35Å; A101-P109 WeakPolarHBondContact O-CD 3.42Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 2.81Å; P109-Y112 PolarHBondContact O-N 3.15Å; P109-A113 PolarHBondContact O-N 3Å; P109-L125 HydrophobicContact CB-CD1 3.92Å; P109-L125 HydrophobicContact CB-CD2 4.14Å
110L98.9Very high98.5Very high1 Ų138.2 Ų38.21%0.00519%0.187CC..Hα-helixtrans-64.6-34.1178.9-175.363.3000112.5T108 Y112 A113 A114 A122 L125 L126 A130 A142 L158T108-L110 PolarHBondContact O-N 3.16Å; T108-L110 VanDerWaalsContact O-N 3.16Å; T108-L110 PolarHBondContact OG1-N 3Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.96Å; L110-A113 PolarHBondContact O-N 3.48Å; L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.85Å; L110-A122 HydrophobicContact CD1-CB 3.99Å; L110-L125 HydrophobicContact CB-CD1 4.33Å; L110-L125 HydrophobicContact CD1-CB 4.49Å; L110-L125 HydrophobicContact CD1-CD1 4.46Å; L110-L126 HydrophobicContact CD1-CD1 4.32Å; L110-L126 HydrophobicContact CD1-CD2 4.47Å; L110-L126 HydrophobicContact CD1-CG 4.15Å; L110-L126 HydrophobicContact CD2-CD2 3.74Å; L110-L126 HydrophobicContact CD2-CG 4.31Å; L110-A130 HydrophobicContact CD2-CB 4.35Å; L110-A142 HydrophobicContact CD2-CB 4.18Å; L110-A142 HydrophobicContact CG-CB 3.9Å; L110-L158 HydrophobicContact CD1-CD2 4.41Å; L110-L158 HydrophobicContact CD2-CD2 4.25Å
111H98.9Very high98.5Very high2 Ų234.7 Ų34.71%0.00917%0.169CC..Hα-helixtrans-59.7-42.9174.9-71.184.1000111.5C107 T108 P109 S115 A134 A140 R145C107-H111 HydrophobicContact CB-CB 4.16Å; T108-H111 PolarHBondContact N-ND1 3.09Å; T108-H111 WeakPolarHBondContact O-CB 3.45Å; T108-H111 PolarHBondContact O-N 3.14Å; T108-H111 PolarHBondContact OG1-ND1 3.31Å; P109-H111 VanDerWaalsContact C-N 3.32Å; P109-H111 PolarHBondContact O-N 2.81Å; H111-S115 VanDerWaalsContact O-CB 3.28Å; H111-S115 WeakPolarHBondContact O-CB 3.48Å; H111-S115 PolarHBondContact O-N 3.17Å; H111-A134 PolarHBondContact CE1-O 3.36Å; H111-A134 PolarHBondContact NE2-O 3.37Å; H111-A140 PolarHBondContact NE2-O 3.41Å; H111-A140 VanDerWaalsContact NE2-O 3.12Å; H111-R145 WeakPolarHBondContact O-CD 3.49Å
112Y98.7Very high98.5Very high32 Ų3234.5 Ų34.513%0.12517%0.167CC..Hα-helixtrans-71.6-42.8178.5-68-74.1000111.8W74 H78 N103 C107 T108 P109 L110 A114 S115 K116W74-Y112 AromaticContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD1 3.68Å; W74-Y112 HydrophobicContact CH2-CD2 4.2Å; W74-Y112 AromaticContact CH2-CE1 3.3Å; W74-Y112 HydrophobicContact CH2-CE1 3.3Å; W74-Y112 AromaticContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CE2 3.85Å; W74-Y112 HydrophobicContact CH2-CG 4.12Å; W74-Y112 AromaticContact CH2-CZ 3.4Å; W74-Y112 VanDerWaalsContact CH2-CZ 3.4Å; W74-Y112 HydrophobicContact CZ2-CD1 4.37Å; W74-Y112 AromaticContact CZ2-CE1 3.54Å; W74-Y112 HydrophobicContact CZ2-CE1 3.54Å; W74-Y112 AromaticContact CZ2-CE2 3.98Å; W74-Y112 HydrophobicContact CZ2-CE2 3.98Å; W74-Y112 AromaticContact CZ2-CZ 3.31Å; W74-Y112 VanDerWaalsContact CZ2-OH 3.25Å; W74-Y112 WeakPolarHBondContact CZ2-OH 3.36Å; W74-Y112 HydrophobicContact CZ3-CD1 4.44Å; W74-Y112 HydrophobicContact CZ3-CD2 4.43Å; W74-Y112 HydrophobicContact CZ3-CE1 4.36Å; W74-Y112 HydrophobicContact CZ3-CE2 4.34Å; W74-Y112 HydrophobicContact CZ3-CG 4.49Å; H78-Y112 AromaticContact CD2-CE2 4Å; N103-Y112 WeakPolarHBondContact ND2-CE2 3.4Å; N103-Y112 PolarHBondContact ND2-OH 2.67Å; C107-Y112 HydrophobicContact CB-CD2 4.4Å; C107-Y112 HydrophobicContact CB-CE2 3.54Å; T108-Y112 WeakPolarHBondContact O-CD2 3.47Å; P109-Y112 PolarHBondContact O-N 3.15Å; L110-Y112 VanDerWaalsContact C-N 3.3Å; L110-Y112 PolarHBondContact O-N 2.96Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 3.13Å; Y112-S115 PolarHBondContact O-N 2.94Å; Y112-K116 VanDerWaalsContact O-CB 3.28Å; Y112-K116 WeakPolarHBondContact O-CB 3.33Å; Y112-K116 WeakPolarHBondContact O-CG 3.19Å; Y112-K116 PolarHBondContact O-N 3.06Å
113A98.7Very high98.5Very high0 Ų033.3 Ų33.30%016%0.16CC..Hα-helixtrans-57.8-46.817500000111.4P109 L110 K116 N117 R118 I121 A122 L125P109-A113 PolarHBondContact O-N 3Å; L110-A113 PolarHBondContact O-N 3.48Å; A113-K116 PolarHBondContact O-N 3.35Å; A113-N117 PolarHBondContact O-N 3.23Å; A113-N117 VanDerWaalsContact O-N 3.08Å; A113-R118 HydrophobicContact CB-CB 4.23Å; A113-R118 PolarHBondContact O-N 3.19Å; A113-I121 HydrophobicContact CB-CB 4.44Å; A113-I121 HydrophobicContact CB-CG2 3.86Å; A113-A122 HydrophobicContact CB-CB 4.25Å; A113-L125 HydrophobicContact CB-CD1 4.13Å
114A98.6Very high98.5Very high0 Ų034.8 Ų34.80%017%0.167CC..Hα-helixtrans-64.8-45.617800000112.6L110 Y112 K116 N117 A142 N151 M154L110-A114 WeakPolarHBondContact O-CB 3.48Å; L110-A114 PolarHBondContact O-N 2.85Å; Y112-A114 VanDerWaalsContact C-N 3.34Å; Y112-A114 PolarHBondContact O-N 3.13Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.48Å; A114-N117 PolarHBondContact O-N 3.04Å; A114-A142 HydrophobicContact CB-CB 3.82Å; A114-N151 PolarHBondContact O-ND2 3.33Å; A114-M154 HydrophobicContact CB-CG 3.91Å; A114-M154 HydrophobicContact CB-SD 4.1Å
115S97.9Very high98.6Very high22 Ų2229.1 Ų29.115%0.15414%0.14CC..Hα-helixtrans-68.7-28179.5179.80000113.9H111 Y112 K149H111-S115 VanDerWaalsContact O-CB 3.28Å; H111-S115 WeakPolarHBondContact O-CB 3.48Å; H111-S115 PolarHBondContact O-N 3.17Å; Y112-S115 PolarHBondContact O-N 2.94Å; S115-K149 WeakPolarHBondContact O-CD 3.5Å; S115-K149 WeakPolarHBondContact O-CE 3.2Å; S115-K149 WeakPolarHBondContact OG-CE 3.4Å
116K98.1Very high98.6Very high114 Ų11425.9 Ų25.950%0.49612%0.123SC..THydrogen-bonded Turntrans-99.67.8-179.7-64.8-69.5-171.8176.10112.6Y112 A113 A114 R118Y112-K116 VanDerWaalsContact O-CB 3.28Å; Y112-K116 WeakPolarHBondContact O-CB 3.33Å; Y112-K116 WeakPolarHBondContact O-CG 3.19Å; Y112-K116 PolarHBondContact O-N 3.06Å; A113-K116 PolarHBondContact O-N 3.35Å; A114-K116 VanDerWaalsContact C-N 3.33Å; A114-K116 PolarHBondContact O-N 3.48Å; K116-R118 HydrophobicContact CB-CG 3.96Å; K116-R118 PolarHBondContact O-N 3.41Å
117N97.8Very high98.6Very high59 Ų5932.1 Ų32.132%0.31615%0.151SC..THydrogen-bonded Turntrans57.442.5178.4-152.434.7000113.7A113 A114 H119 N151A113-N117 PolarHBondContact O-N 3.23Å; A113-N117 VanDerWaalsContact O-N 3.08Å; A114-N117 PolarHBondContact O-N 3.04Å; N117-H119 PolarHBondContact ND2-CE1 3.37Å; N117-H119 PolarHBondContact O-CE1 2.99Å; N117-H119 PolarHBondContact O-N 3.07Å; N117-H119 PolarHBondContact O-ND1 3.16Å; N117-H119 PolarHBondContact OD1-CE1 3.22Å; N117-H119 PolarHBondContact OD1-NE2 3.41Å; N117-N151 WeakPolarHBondContact OD1-CB 3.43Å
118R98.4Very high98.5Very high88 Ų8834 Ų3433%0.33217%0.171SC..  trans-9384.6179.4-49.7-55.3-170.2-177.33.4110.1A83 A113 K116 I121 A122A83-R118 PolarHBondContact O-NH2 2.98Å; A113-R118 HydrophobicContact CB-CB 4.23Å; A113-R118 PolarHBondContact O-N 3.19Å; K116-R118 HydrophobicContact CB-CG 3.96Å; K116-R118 PolarHBondContact O-N 3.41Å; R118-I121 HydrophobicContact CB-CB 3.91Å; R118-I121 HydrophobicContact CB-CD1 4.06Å; R118-I121 HydrophobicContact CB-CG1 4.26Å; R118-I121 HydrophobicContact CG-CD1 4.37Å; R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 3.28Å
119H98.6Very high98.5Very high29 Ų2936.1 Ų36.113%0.13419%0.194CC..Hα-helixtrans-63.5-50.2-171.8-50.696.9000112.4N117 I121 A122 V123 I157N117-H119 PolarHBondContact ND2-CE1 3.37Å; N117-H119 PolarHBondContact O-CE1 2.99Å; N117-H119 PolarHBondContact O-N 3.07Å; N117-H119 PolarHBondContact O-ND1 3.16Å; N117-H119 PolarHBondContact OD1-CE1 3.22Å; N117-H119 PolarHBondContact OD1-NE2 3.41Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.89Å; H119-A122 PolarHBondContact O-N 2.92Å; H119-V123 WeakPolarHBondContact O-CG2 3.4Å; H119-V123 PolarHBondContact O-N 3.44Å; H119-I157 HydrophobicContact CB-CD1 3.7Å
120E98.6Very high98.5Very high101 Ų10136.5 Ų36.547%0.47220%0.196SC..Hα-helixtrans-62-43.7-176.9-6769-153.200110.3V123 M124E120-V123 PolarHBondContact O-N 3.42Å; E120-M124 WeakPolarHBondContact O-CG 3.35Å; E120-M124 PolarHBondContact O-N 2.99Å
121I98.8Very high98.5Very high0 Ų040 Ų400%022%0.216CC..Hα-helixtrans-63.9-45.1174.4-64.6179.4000111.8A81 D86 V89 A113 R118 H119 V123 M124 L125A81-I121 HydrophobicContact CB-CG2 3.84Å; D86-I121 WeakPolarHBondContact OD1-CD1 3.49Å; D86-I121 WeakPolarHBondContact OD1-CG1 3.39Å; V89-I121 HydrophobicContact CG1-CG2 4.29Å; V89-I121 HydrophobicContact CG2-CD1 3.99Å; V89-I121 HydrophobicContact CG2-CG1 4.15Å; V89-I121 HydrophobicContact CG2-CG2 4.08Å; A113-I121 HydrophobicContact CB-CB 4.44Å; A113-I121 HydrophobicContact CB-CG2 3.86Å; R118-I121 HydrophobicContact CB-CB 3.91Å; R118-I121 HydrophobicContact CB-CD1 4.06Å; R118-I121 HydrophobicContact CB-CG1 4.26Å; R118-I121 HydrophobicContact CG-CD1 4.37Å; H119-I121 VanDerWaalsContact C-N 3.33Å; H119-I121 PolarHBondContact O-N 2.89Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.42Å; I121-M124 HydrophobicContact CG1-CE 4.09Å; I121-M124 PolarHBondContact O-N 3.36Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.15Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 VanDerWaalsContact O-CG 3.23Å; I121-L125 WeakPolarHBondContact O-CG 3.23Å; I121-L125 PolarHBondContact O-N 3.42Å
122A98.8Very high98.5Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-59.8-42.5178.600000111.2L110 A113 R118 H119 L125 L126 M154 I157L110-A122 HydrophobicContact CD1-CB 3.99Å; A113-A122 HydrophobicContact CB-CB 4.25Å; R118-A122 WeakPolarHBondContact O-CB 3.38Å; R118-A122 PolarHBondContact O-N 3.28Å; H119-A122 PolarHBondContact O-N 2.92Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 WeakPolarHBondContact O-CD1 3.38Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 3.45Å; A122-M154 HydrophobicContact CB-CE 3.66Å; A122-M154 HydrophobicContact CB-SD 3.61Å; A122-I157 HydrophobicContact CB-CG2 4.49Å
123V98.8Very high98.5Very high38 Ų3841.8 Ų41.823%0.2323%0.228CC..Hα-helixtrans-60.8-51.4174.3173.20000110.7H119 E120 I121 L125 L126 E127 I157H119-V123 WeakPolarHBondContact O-CG2 3.4Å; H119-V123 PolarHBondContact O-N 3.44Å; E120-V123 PolarHBondContact O-N 3.42Å; I121-V123 VanDerWaalsContact C-N 3.28Å; I121-V123 PolarHBondContact O-N 3.42Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; V123-E127 HydrophobicContact CG1-CG 4.18Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.35Å; V123-E127 WeakPolarHBondContact O-CB 3.32Å; V123-E127 WeakPolarHBondContact O-CG 3.47Å; V123-E127 PolarHBondContact O-N 2.86Å; V123-I157 HydrophobicContact CG2-CD1 4.17Å; V123-I157 HydrophobicContact CG2-CG1 4.33Å; V123-I157 HydrophobicContact CG2-CG2 3.87Å
124M98.7Very high98.5Very high39 Ų3942.4 Ų42.419%0.19223%0.234CC..Hα-helixtrans-57.5-40.1178.6-74.3-172.6-76.100112.9D86 V89 K90 L93 E120 I121 G128D86-M124 HydrophobicContact CB-CE 4.04Å; D86-M124 WeakPolarHBondContact O-CE 3.48Å; V89-M124 HydrophobicContact CB-CE 4.33Å; V89-M124 HydrophobicContact CG1-CB 4.42Å; V89-M124 HydrophobicContact CG1-CE 4.17Å; K90-M124 HydrophobicContact CB-SD 3.94Å; K90-M124 HydrophobicContact CG-SD 4.48Å; L93-M124 HydrophobicContact CD1-CB 4.05Å; E120-M124 WeakPolarHBondContact O-CG 3.35Å; E120-M124 PolarHBondContact O-N 2.99Å; I121-M124 HydrophobicContact CG1-CE 4.09Å; I121-M124 PolarHBondContact O-N 3.36Å; M124-G128 PolarHBondContact O-N 2.89Å
125L98.8Very high98.5Very high0 Ų046.6 Ų46.60%025%0.252CS..Hα-helixtrans-66.4-44.7177.4-70172.4000111.5L77 A81 L93 V99 P109 L110 A113 I121 A122 V123 G128 G129 A130L77-L125 HydrophobicContact CD1-CD2 4.16Å; L77-L125 HydrophobicContact CD2-CD2 3.98Å; L77-L125 HydrophobicContact CG-CD2 4.23Å; A81-L125 HydrophobicContact CB-CD1 4.4Å; L93-L125 HydrophobicContact CD2-CD2 4.37Å; V99-L125 HydrophobicContact CG1-CD2 4.47Å; P109-L125 HydrophobicContact CB-CD1 3.92Å; P109-L125 HydrophobicContact CB-CD2 4.14Å; L110-L125 HydrophobicContact CB-CD1 4.33Å; L110-L125 HydrophobicContact CD1-CB 4.49Å; L110-L125 HydrophobicContact CD1-CD1 4.46Å; A113-L125 HydrophobicContact CB-CD1 4.13Å; I121-L125 HydrophobicContact CG2-CD1 3.76Å; I121-L125 HydrophobicContact CG2-CG 4.15Å; I121-L125 WeakPolarHBondContact O-CB 3.4Å; I121-L125 VanDerWaalsContact O-CG 3.23Å; I121-L125 WeakPolarHBondContact O-CG 3.23Å; I121-L125 PolarHBondContact O-N 3.42Å; A122-L125 PolarHBondContact O-N 3.37Å; V123-L125 VanDerWaalsContact C-N 3.28Å; V123-L125 PolarHBondContact O-N 2.9Å; L125-G128 CarbonylContact O-C 3.5Å; L125-G128 WeakPolarHBondContact O-CA 3.17Å; L125-G128 PolarHBondContact O-N 3.32Å; L125-G129 PolarHBondContact O-N 3.45Å; L125-A130 HydrophobicContact CB-CB 4.07Å; L125-A130 WeakPolarHBondContact O-CB 3.26Å; L125-A130 PolarHBondContact O-N 2.76Å
126L98.8Very high98.5Very high11 Ų1145.7 Ų45.76%0.05825%0.245CC..Hα-helixtrans-67.5-42-179.9-70.7162.4000111.8L110 A122 V123 G128 G129 P132 I157 L158 Y161L110-L126 HydrophobicContact CD1-CD1 4.32Å; L110-L126 HydrophobicContact CD1-CD2 4.47Å; L110-L126 HydrophobicContact CD1-CG 4.15Å; L110-L126 HydrophobicContact CD2-CD2 3.74Å; L110-L126 HydrophobicContact CD2-CG 4.31Å; A122-L126 WeakPolarHBondContact O-CB 3.28Å; A122-L126 WeakPolarHBondContact O-CD1 3.38Å; A122-L126 WeakPolarHBondContact O-CG 3.37Å; A122-L126 PolarHBondContact O-N 3.45Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-L126 VanDerWaalsContact O-N 3.15Å; L126-G128 PolarHBondContact O-N 3.5Å; L126-G129 PolarHBondContact O-N 2.98Å; L126-P132 HydrophobicContact CD2-CB 3.94Å; L126-I157 HydrophobicContact CD1-CG2 3.83Å; L126-L158 HydrophobicContact CD1-CD2 4.25Å; L126-Y161 HydrophobicContact CB-CD1 3.79Å; L126-Y161 HydrophobicContact CB-CD2 3.79Å; L126-Y161 HydrophobicContact CB-CE1 4Å; L126-Y161 HydrophobicContact CB-CE2 3.99Å; L126-Y161 HydrophobicContact CB-CG 3.7Å; L126-Y161 HydrophobicContact CD1-CD2 3.45Å; L126-Y161 VanDerWaalsContact CD1-CD2 3.45Å; L126-Y161 HydrophobicContact CD1-CE2 4.14Å; L126-Y161 HydrophobicContact CD1-CG 3.83Å; L126-Y161 HydrophobicContact CD2-CG 4.3Å; L126-Y161 HydrophobicContact CG-CD2 4.16Å; L126-Y161 HydrophobicContact CG-CG 4.14Å
127E98.4Very high98.5Very high134 Ų13446.1 Ų46.163%0.62625%0.249SC*.Hα-helixtrans-61.7-34.5171.2-70.1179.3170.800111.8V123 G129 Y161V123-E127 HydrophobicContact CG1-CG 4.18Å; V123-E127 WeakPolarHBondContact CG1-OE1 3.35Å; V123-E127 WeakPolarHBondContact O-CB 3.32Å; V123-E127 WeakPolarHBondContact O-CG 3.47Å; V123-E127 PolarHBondContact O-N 2.86Å; E127-G129 PolarHBondContact O-N 3.08Å; E127-Y161 HydrophobicContact CG-CE1 4.34Å; E127-Y161 WeakPolarHBondContact CG-OH 3.38Å; E127-Y161 PolarHBondContact OE1-OH 2.95Å
128G97.4Very high98.6Very high41 Ų4149.9 Ų49.942%0.42326%0.259SS..THydrogen-bonded Turntrans-73.53.9173.200000115M124 L125 L126M124-G128 PolarHBondContact O-N 2.89Å; L125-G128 CarbonylContact O-C 3.5Å; L125-G128 WeakPolarHBondContact O-CA 3.17Å; L125-G128 PolarHBondContact O-N 3.32Å; L126-G128 PolarHBondContact O-N 3.5Å
129G97.9Very high98.6Very high48 Ų4849.7 Ų49.750%0.49526%0.262SS..THydrogen-bonded Turntrans85.623.6178.200000114.7N100 L125 L126 E127 N131N100-G129 PolarHBondContact ND2-O 2.91Å; N100-G129 VanDerWaalsContact ND2-O 3.13Å; L125-G129 PolarHBondContact O-N 3.45Å; L126-G129 PolarHBondContact O-N 2.98Å; E127-G129 PolarHBondContact O-N 3.08Å; G129-N131 PolarHBondContact O-N 2.73Å
130A98.6Very high98.6Very high7 Ų748.9 Ų48.96%0.05826%0.261CS..  trans-60.6135.5168.300000110.2V99 N100 L110 L125 P132V99-A130 HydrophobicContact CB-CB 4.34Å; N100-A130 WeakPolarHBondContact OD1-CA 3.21Å; L110-A130 HydrophobicContact CD2-CB 4.35Å; L125-A130 HydrophobicContact CB-CB 4.07Å; L125-A130 WeakPolarHBondContact O-CB 3.26Å; L125-A130 PolarHBondContact O-N 2.76Å; A130-P132 VanDerWaalsContact O-CD 3.24Å; A130-P132 WeakPolarHBondContact O-CD 3.28Å
131N98.7Very high98.6Very high76 Ų7644.1 Ų44.141%0.40624%0.238SC..  trans-75.3112.8174176.611.5000109.2N100 G129 D133 A134N100-N131 PolarHBondContact OD1-N 3.44Å; G129-N131 PolarHBondContact O-N 2.73Å; N131-D133 PolarHBondContact O-N 3.49Å; N131-D133 PolarHBondContact OD1-N 3.45Å; N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact ND2-N 3.41Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.39Å
132P98.6Very high98.6Very high22 Ų2244.1 Ų44.114%0.14324%0.239CC..THydrogen-bonded Turntrans-64.4-25179.426.8-34.8000113.2L126 A130 A163L126-P132 HydrophobicContact CD2-CB 3.94Å; A130-P132 VanDerWaalsContact O-CD 3.24Å; A130-P132 WeakPolarHBondContact O-CD 3.28Å; P132-A163 HydrophobicContact CB-CB 3.77Å
133D98.8Very high98.6Very high48 Ų4844.1 Ų44.126%0.25724%0.239SC..THydrogen-bonded Turntrans-97.912.5-179-68-16.7000112.4N131 K135 A163 S164 I167N131-D133 PolarHBondContact O-N 3.49Å; N131-D133 PolarHBondContact OD1-N 3.45Å; D133-K135 PolarHBondContact O-N 3.03Å; D133-A163 WeakPolarHBondContact OD1-CA 3.43Å; D133-S164 PolarHBondContact OD1-N 3.33Å; D133-I167 HydrophobicContact CB-CD1 3.66Å
134A98.7Very high98.6Very high14 Ų1442.5 Ų42.512%0.11623%0.229CC..  trans-56.9131.4172.300000109.6T108 H111 N131T108-A134 HydrophobicContact CG2-CB 3.87Å; H111-A134 PolarHBondContact CE1-O 3.36Å; H111-A134 PolarHBondContact NE2-O 3.37Å; N131-A134 HydrophobicContact CB-CB 4.19Å; N131-A134 PolarHBondContact ND2-N 3.41Å; N131-A134 WeakPolarHBondContact O-CB 3.38Å; N131-A134 PolarHBondContact O-N 3.39Å
135K98.8Very high98.5Very high87 Ų8743.9 Ų43.938%0.37823%0.232SC..  trans-104.5139.8179.2-59.5-169.4-177.4-161.30110.5D133 E139 A140 T141 I167D133-K135 PolarHBondContact O-N 3.03Å; K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 WeakPolarHBondContact CD-OE2 3.49Å; K135-E139 WeakPolarHBondContact CE-OE2 3.06Å; K135-E139 IonicContact NZ-OE2 3.85Å; K135-E139 PolarHBondContact NZ-OE2 3.37Å; K135-A140 WeakPolarHBondContact CA-O 3.49Å; K135-T141 HydrophobicContact CG-CG2 4.11Å; K135-I167 HydrophobicContact CD-CG2 4.36Å
136D98.6Very high98.5Very high3 Ų343.9 Ų43.92%0.01623%0.232CC..  trans-82.9-176168.270.218.3000111.8N105 G106 Y138 E139 A140 R145N105-D136 WeakPolarHBondContact O-CB 3.42Å; G106-D136 WeakPolarHBondContact O-CA 3.41Å; D136-Y138 PolarHBondContact O-N 3.49Å; D136-Y138 VanDerWaalsContact O-N 3.15Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.45Å; D136-Y138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Y138 PolarHBondContact OD1-N 2.98Å; D136-E139 WeakPolarHBondContact O-CA 3.5Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 PolarHBondContact OD1-N 3.03Å; D136-A140 PolarHBondContact N-O 3.27Å; D136-A140 PolarHBondContact OD1-N 3.13Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.89Å; D136-R145 IonicContact OD2-NH2 3.79Å; D136-R145 PolarHBondContact OD2-NH2 2.92Å
137H98.6Very high98.5Very high123 Ų12343.3 Ų43.357%0.56923%0.229SC*.THydrogen-bonded Turntrans-66.8-11.2-179.9-67.3169.5000114.2Q104 N105 G106 E139Q104-H137 PolarHBondContact O-CE1 2.72Å; Q104-H137 PolarHBondContact O-ND1 2.82Å; N105-H137 WeakPolarHBondContact O-CB 3.45Å; N105-H137 PolarHBondContact O-N 3.08Å; G106-H137 PolarHBondContact N-CE1 3.5Å; H137-E139 VanDerWaalsContact C-N 3.29Å
138Y98.3Very high98.5Very high138 Ų13838.1 Ų38.154%0.54121%0.209SC..THydrogen-bonded Turntrans-95.714.8171.6-55.2-80.3000111.5D136 A140 D169 T170D136-Y138 PolarHBondContact O-N 3.49Å; D136-Y138 VanDerWaalsContact O-N 3.15Å; D136-Y138 WeakPolarHBondContact OD1-CA 3.45Å; D136-Y138 WeakPolarHBondContact OD1-CB 3.43Å; D136-Y138 PolarHBondContact OD1-N 2.98Å; Y138-A140 PolarHBondContact O-N 2.92Å; Y138-D169 WeakPolarHBondContact O-CB 3.47Å; Y138-T170 VanDerWaalsContact C-CG2 3.44Å; Y138-T170 WeakPolarHBondContact O-CG2 3.2Å; Y138-T170 PolarHBondContact O-N 2.85Å; Y138-T170 PolarHBondContact O-OG1 3.11Å
139E98.5Very high98.5Very high84 Ų8441.5 Ų41.539%0.39321%0.212SC..SBendtrans5712.5-174.1-63.8-72.6125.800113.6K135 D136 H137 T170K135-E139 HydrophobicContact CD-CB 4.22Å; K135-E139 WeakPolarHBondContact CD-OE2 3.49Å; K135-E139 WeakPolarHBondContact CE-OE2 3.06Å; K135-E139 IonicContact NZ-OE2 3.85Å; K135-E139 PolarHBondContact NZ-OE2 3.37Å; D136-E139 WeakPolarHBondContact O-CA 3.5Å; D136-E139 PolarHBondContact O-N 3.07Å; D136-E139 PolarHBondContact OD1-N 3.03Å; H137-E139 VanDerWaalsContact C-N 3.29Å; E139-T170 HydrophobicContact CB-CG2 4.1Å; E139-T170 HydrophobicContact CG-CG2 3.87Å
140A98.8Very high98.5Very high13 Ų1340.2 Ų40.211%0.10720%0.199CC..  trans-88.1146.2-177.100000110.4H111 K135 D136 Y138 H144 D169H111-A140 PolarHBondContact NE2-O 3.41Å; H111-A140 VanDerWaalsContact NE2-O 3.12Å; K135-A140 WeakPolarHBondContact CA-O 3.49Å; D136-A140 PolarHBondContact N-O 3.27Å; D136-A140 PolarHBondContact OD1-N 3.13Å; Y138-A140 PolarHBondContact O-N 2.92Å; A140-H144 HydrophobicContact CB-CB 4.23Å; A140-D169 HydrophobicContact CB-CB 4.21Å
141T98.8Very high98.4Very high0 Ų040.9 Ų40.90%020%0.201CC..  trans-106.5173.2-179.968.90000112.2K135 M143 H144 R145 I167K135-T141 HydrophobicContact CG-CG2 4.11Å; T141-M143 PolarHBondContact O-N 2.83Å; T141-M143 PolarHBondContact OG1-N 2.95Å; T141-H144 PolarHBondContact N-ND1 3.3Å; T141-H144 WeakPolarHBondContact O-CB 3.39Å; T141-H144 PolarHBondContact O-N 3.24Å; T141-H144 VanDerWaalsContact O-N 3.15Å; T141-H144 PolarHBondContact OG1-ND1 3.49Å; T141-R145 PolarHBondContact O-N 2.8Å; T141-I167 HydrophobicContact CG2-CB 4.28Å; T141-I167 HydrophobicContact CG2-CD1 3.81Å; T141-I167 HydrophobicContact CG2-CG2 3.87Å
142A98.6Very high98.4Very high1 Ų140.1 Ų40.11%0.00820%0.197CC..Hα-helixtrans-55.5-34.2169.800000112.8L110 A114 R145 A146 L158L110-A142 HydrophobicContact CD2-CB 4.18Å; L110-A142 HydrophobicContact CG-CB 3.9Å; A114-A142 HydrophobicContact CB-CB 3.82Å; A142-R145 PolarHBondContact O-N 3.28Å; A142-A146 PolarHBondContact O-N 2.96Å; A142-L158 HydrophobicContact CB-CD1 4.22Å; A142-L158 HydrophobicContact CB-CD2 4.12Å
143M98.8Very high98.4Very high0 Ų044.8 Ų44.80%022%0.215CC..Hα-helixtrans-67.4-36.3178.1-171.2162.4-79.300112.6T141 R145 A146 A147 L158 L159 A163 T165 P175 L191T141-M143 PolarHBondContact O-N 2.83Å; T141-M143 PolarHBondContact OG1-N 2.95Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 2.91Å; M143-A146 PolarHBondContact O-N 3.31Å; M143-A147 WeakPolarHBondContact O-CB 3.28Å; M143-A147 PolarHBondContact O-N 3.11Å; M143-L158 HydrophobicContact CB-CD1 4.15Å; M143-L158 HydrophobicContact CE-CB 3.63Å; M143-L159 HydrophobicContact CE-CD2 3.75Å; M143-L159 HydrophobicContact CE-CG 3.77Å; M143-A163 HydrophobicContact CE-CB 3.61Å; M143-T165 HydrophobicContact SD-CG2 3.86Å; M143-P175 HydrophobicContact CB-CB 4.5Å; M143-P175 HydrophobicContact CB-CG 4.06Å; M143-P175 HydrophobicContact CG-CB 3.8Å; M143-P175 HydrophobicContact CG-CG 3.77Å; M143-P175 HydrophobicContact SD-CG 4.39Å; M143-L191 HydrophobicContact CG-CD2 4.44Å; M143-L191 HydrophobicContact SD-CD2 3.82Å
144H98.8Very high98.4Very high3 Ų342.5 Ų42.51%0.01420%0.202CC..Hα-helixtrans-58-46.5173.3-69.577.4000110.8A140 T141 A147 A148 I167 N173 P175 L178A140-H144 HydrophobicContact CB-CB 4.23Å; T141-H144 PolarHBondContact N-ND1 3.3Å; T141-H144 WeakPolarHBondContact O-CB 3.39Å; T141-H144 PolarHBondContact O-N 3.24Å; T141-H144 VanDerWaalsContact O-N 3.15Å; T141-H144 PolarHBondContact OG1-ND1 3.49Å; H144-A147 PolarHBondContact O-N 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 3.24Å; H144-I167 PolarHBondContact CE1-O 3.49Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; H144-N173 PolarHBondContact NE2-O 3.24Å; H144-P175 WeakPolarHBondContact NE2-CD 3.48Å; H144-L178 HydrophobicContact CB-CD1 3.77Å
145R98.4Very high98.4Very high68 Ų6841.8 Ų41.826%0.25720%0.197SC..Hα-helixtrans-66-41.4-179.6-62179.6179.1-83.8-0.7112.3C107 H111 D136 T141 A142 M143 K149C107-R145 PolarHBondContact SG-NH2 3.26Å; H111-R145 WeakPolarHBondContact O-CD 3.49Å; D136-R145 IonicContact OD2-CZ 3.86Å; D136-R145 IonicContact OD2-NE 3.89Å; D136-R145 IonicContact OD2-NH2 3.79Å; D136-R145 PolarHBondContact OD2-NH2 2.92Å; T141-R145 PolarHBondContact O-N 2.8Å; A142-R145 PolarHBondContact O-N 3.28Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 2.91Å; R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 WeakPolarHBondContact O-CG 3.39Å; R145-K149 PolarHBondContact O-N 3.46Å
146A98.5Very high98.4Very high0 Ų042.3 Ų42.30%020%0.2CC..Hα-helixtrans-67.2-43.1177.600000111.9A142 M143 G150 N151 M154 V155 L158A142-A146 PolarHBondContact O-N 2.96Å; M143-A146 PolarHBondContact O-N 3.31Å; A146-G150 PolarHBondContact O-N 2.94Å; A146-N151 HydrophobicContact CB-CB 4.34Å; A146-N151 PolarHBondContact O-N 3.45Å; A146-M154 HydrophobicContact CB-CB 4.07Å; A146-M154 HydrophobicContact CB-CG 3.68Å; A146-V155 HydrophobicContact CB-CG2 3.9Å; A146-L158 HydrophobicContact CB-CD1 4.05Å
147A98.3Very high98.4Very high0 Ų043.2 Ų43.20%021%0.205CC..Hα-helixtrans-64.9-50.7179.600000111.7M143 H144 K149 G150 P175 A179 R184 L191M143-A147 WeakPolarHBondContact O-CB 3.28Å; M143-A147 PolarHBondContact O-N 3.11Å; H144-A147 PolarHBondContact O-N 3.25Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 2.91Å; A147-G150 PolarHBondContact O-N 3.36Å; A147-P175 HydrophobicContact CB-CB 3.85Å; A147-P175 VanDerWaalsContact CB-O 3.3Å; A147-P175 WeakPolarHBondContact CB-O 3.23Å; A147-A179 HydrophobicContact CB-CB 4.29Å; A147-R184 WeakPolarHBondContact O-CG 3.47Å; A147-L191 HydrophobicContact CB-CD1 4.12Å
148A98.1Very high98.4Very high24 Ų2437.3 Ų37.320%0.19818%0.178CC..Hα-helixtrans-58-38.8178.900000112.7H144 G150 L178 E182 R184H144-A148 WeakPolarHBondContact O-CB 3.37Å; H144-A148 PolarHBondContact O-N 3.24Å; A148-G150 PolarHBondContact O-N 3.45Å; A148-L178 HydrophobicContact CB-CB 4.03Å; A148-L178 HydrophobicContact CB-CD1 4.27Å; A148-E182 HydrophobicContact CB-CG 4.47Å; A148-E182 WeakPolarHBondContact O-CB 3.25Å; A148-E182 WeakPolarHBondContact O-CG 3.43Å; A148-R184 PolarHBondContact O-NE 3.43Å; A148-R184 PolarHBondContact O-NH2 3.01Å
149K97.8Very high98.4Very high113 Ų11331.9 Ų31.949%0.49116%0.158SC..Hα-helixtrans-82-7.2-177.9-71.7-169.3173-63.80115.1S115 R145 A147S115-K149 WeakPolarHBondContact O-CD 3.5Å; S115-K149 WeakPolarHBondContact O-CE 3.2Å; S115-K149 WeakPolarHBondContact OG-CE 3.4Å; R145-K149 WeakPolarHBondContact O-CB 3.45Å; R145-K149 WeakPolarHBondContact O-CG 3.39Å; R145-K149 PolarHBondContact O-N 3.46Å; A147-K149 VanDerWaalsContact C-N 3.26Å; A147-K149 PolarHBondContact O-N 2.91Å
150G97.1Very high98.4Very high21 Ų2134.8 Ų34.822%0.21617%0.169CC..THydrogen-bonded Turntrans68.838.5-175.100000112.8A146 A147 A148 L152 E187A146-G150 PolarHBondContact O-N 2.94Å; A147-G150 PolarHBondContact O-N 3.36Å; A148-G150 PolarHBondContact O-N 3.45Å; G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.02Å; G150-E187 VanDerWaalsContact CA-OE1 3.29Å; G150-E187 WeakPolarHBondContact CA-OE1 3.25Å
151N97.9Very high98.3Very high20 Ų2037 Ų3711%0.10718%0.175CC..  trans-90.469.4179-67.6-17.3000109.9A114 N117 A146 K153 M154 V155A114-N151 PolarHBondContact O-ND2 3.33Å; N117-N151 WeakPolarHBondContact OD1-CB 3.43Å; A146-N151 HydrophobicContact CB-CB 4.34Å; A146-N151 PolarHBondContact O-N 3.45Å; N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.49Å; N151-M154 HydrophobicContact CB-CB 3.7Å; N151-M154 WeakPolarHBondContact O-CA 3.4Å; N151-M154 VanDerWaalsContact O-CB 3.32Å; N151-M154 WeakPolarHBondContact O-CB 3.29Å; N151-M154 PolarHBondContact O-N 2.98Å; N151-V155 PolarHBondContact O-N 3.01Å
152L97.9Very high98.3Very high61 Ų6145.2 Ų45.232%0.31921%0.211SC..Hα-helixtrans-48.4-48.8-174.8-171.964.2000114.1G150 M154 V155 H156 E186 E187 L190G150-L152 VanDerWaalsContact C-N 3.35Å; G150-L152 PolarHBondContact O-N 3.02Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.46Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.35Å; L152-H156 PolarHBondContact O-CD2 3.38Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 2.84Å; L152-E186 HydrophobicContact CD1-CB 4.3Å; L152-E186 HydrophobicContact CD2-CB 4.3Å; L152-E187 HydrophobicContact CB-CG 4.23Å; L152-E187 WeakPolarHBondContact CB-OE1 3.18Å; L152-E187 HydrophobicContact CD1-CG 3.98Å; L152-E187 PolarHBondContact N-OE1 3.4Å; L152-L190 HydrophobicContact CD1-CB 4.25Å; L152-L190 HydrophobicContact CD1-CD2 3.69Å
153K98.4Very high98.3Very high119 Ų11945.5 Ų45.552%0.51721%0.213SC..Hα-helixtrans-64.9-34.8179.5-174.1178.4177.6-1690112.1N151 H156 I157N151-K153 VanDerWaalsContact C-N 3.33Å; N151-K153 PolarHBondContact O-N 3.49Å; K153-H156 WeakPolarHBondContact O-CB 3.43Å; K153-H156 PolarHBondContact O-N 3.13Å; K153-I157 HydrophobicContact CG-CD1 4.42Å; K153-I157 WeakPolarHBondContact O-CG1 3.37Å; K153-I157 PolarHBondContact O-N 2.92Å
154M98.6Very high98.3Very high0 Ų047.5 Ų47.50%023%0.228CC..Hα-helixtrans-66.8-41.1174.1-175.85960.900111.6A114 A122 A146 N151 L152 H156 I157 L158A114-M154 HydrophobicContact CB-CG 3.91Å; A114-M154 HydrophobicContact CB-SD 4.1Å; A122-M154 HydrophobicContact CB-CE 3.66Å; A122-M154 HydrophobicContact CB-SD 3.61Å; A146-M154 HydrophobicContact CB-CB 4.07Å; A146-M154 HydrophobicContact CB-CG 3.68Å; N151-M154 HydrophobicContact CB-CB 3.7Å; N151-M154 WeakPolarHBondContact O-CA 3.4Å; N151-M154 VanDerWaalsContact O-CB 3.32Å; N151-M154 WeakPolarHBondContact O-CB 3.29Å; N151-M154 PolarHBondContact O-N 2.98Å; L152-M154 VanDerWaalsContact C-N 3.31Å; L152-M154 PolarHBondContact O-N 3.46Å; M154-H156 VanDerWaalsContact C-N 3.31Å; M154-H156 PolarHBondContact O-N 3.12Å; M154-I157 PolarHBondContact O-N 2.65Å; M154-L158 HydrophobicContact CG-CD1 4.14Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.39Å
155V98.6Very high98.2Very high0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-59.1-45174.3177.30000110.2A146 N151 L152 I157 L158 L159 L190 L191A146-V155 HydrophobicContact CB-CG2 3.9Å; N151-V155 PolarHBondContact O-N 3.01Å; L152-V155 WeakPolarHBondContact O-CB 3.23Å; L152-V155 PolarHBondContact O-N 3.35Å; V155-I157 PolarHBondContact O-N 3.49Å; V155-L158 PolarHBondContact O-N 3.33Å; V155-L159 HydrophobicContact CG1-CD1 3.78Å; V155-L159 HydrophobicContact CG1-CG 4.33Å; V155-L159 WeakPolarHBondContact O-CB 3.13Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.47Å; V155-L190 HydrophobicContact CB-CD2 4.19Å; V155-L190 HydrophobicContact CG1-CD2 3.75Å; V155-L190 HydrophobicContact CG1-CG 4.43Å; V155-L191 HydrophobicContact CG1-CD2 3.9Å; V155-L191 HydrophobicContact CG1-CG 4.26Å
156H98.4Very high98.2Very high98 Ų9847.1 Ų47.145%0.45423%0.231SC..Hα-helixtrans-57.3-45.1173.6-82.1-70.5000113.4L152 K153 M154 L159 F160 L190L152-H156 PolarHBondContact O-CD2 3.38Å; L152-H156 VanDerWaalsContact O-CD2 3.3Å; L152-H156 PolarHBondContact O-N 2.84Å; K153-H156 WeakPolarHBondContact O-CB 3.43Å; K153-H156 PolarHBondContact O-N 3.13Å; M154-H156 VanDerWaalsContact C-N 3.31Å; M154-H156 PolarHBondContact O-N 3.12Å; H156-L159 PolarHBondContact O-N 3.33Å; H156-F160 WeakPolarHBondContact O-CB 3.36Å; H156-F160 PolarHBondContact O-N 3.23Å; H156-L190 WeakPolarHBondContact CE1-CD1 3.35Å; H156-L190 WeakPolarHBondContact NE2-CD2 3.35Å
157I98.7Very high98.2Very high21 Ų2148.2 Ų48.211%0.10824%0.237CC..Hα-helixtrans-61.1-48.9178.1-70.1164.2000110.4H119 A122 V123 L126 K153 M154 V155 L159 F160 Y161H119-I157 HydrophobicContact CB-CD1 3.7Å; A122-I157 HydrophobicContact CB-CG2 4.49Å; V123-I157 HydrophobicContact CG2-CD1 4.17Å; V123-I157 HydrophobicContact CG2-CG1 4.33Å; V123-I157 HydrophobicContact CG2-CG2 3.87Å; L126-I157 HydrophobicContact CD1-CG2 3.83Å; K153-I157 HydrophobicContact CG-CD1 4.42Å; K153-I157 WeakPolarHBondContact O-CG1 3.37Å; K153-I157 PolarHBondContact O-N 2.92Å; M154-I157 PolarHBondContact O-N 2.65Å; V155-I157 PolarHBondContact O-N 3.49Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 2.98Å; I157-F160 WeakPolarHBondContact O-CB 3.42Å; I157-F160 PolarHBondContact O-N 2.8Å; I157-Y161 HydrophobicContact CG2-CD2 4.22Å; I157-Y161 HydrophobicContact CG2-CE2 4.44Å; I157-Y161 WeakPolarHBondContact O-CD2 3.43Å; I157-Y161 PolarHBondContact O-N 3.19Å; I157-Y161 VanDerWaalsContact O-N 3.16Å
158L98.6Very high98.2Very high0 Ų052 Ų520%025%0.254CS..Hα-helixtrans-61.8-41.3-179.4-68.2169.7000111.8L110 L126 A142 M143 A146 M154 V155 Y161 K162 A163L110-L158 HydrophobicContact CD1-CD2 4.41Å; L110-L158 HydrophobicContact CD2-CD2 4.25Å; L126-L158 HydrophobicContact CD1-CD2 4.25Å; A142-L158 HydrophobicContact CB-CD1 4.22Å; A142-L158 HydrophobicContact CB-CD2 4.12Å; M143-L158 HydrophobicContact CB-CD1 4.15Å; M143-L158 HydrophobicContact CE-CB 3.63Å; A146-L158 HydrophobicContact CB-CD1 4.05Å; M154-L158 HydrophobicContact CG-CD1 4.14Å; M154-L158 HydrophobicContact CG-CG 4.49Å; M154-L158 WeakPolarHBondContact O-CG 3.41Å; M154-L158 PolarHBondContact O-N 3.33Å; M154-L158 HydrophobicContact SD-CG 4.39Å; V155-L158 PolarHBondContact O-N 3.33Å; L158-Y161 CarbonylContact O-C 3.47Å; L158-Y161 PolarHBondContact O-N 3.46Å; L158-K162 PolarHBondContact O-N 3.18Å; L158-A163 HydrophobicContact CB-CB 3.87Å; L158-A163 WeakPolarHBondContact O-CB 3.36Å; L158-A163 PolarHBondContact O-N 2.86Å
159L98.3Very high98.3Very high23 Ų2351.9 Ų51.912%0.1225%0.251CS..Hα-helixtrans-65.1-38.6175.9-70.6168000112.7M143 V155 H156 I157 Y161 K162 T165 L190 Q194M143-L159 HydrophobicContact CE-CD2 3.75Å; M143-L159 HydrophobicContact CE-CG 3.77Å; V155-L159 HydrophobicContact CG1-CD1 3.78Å; V155-L159 HydrophobicContact CG1-CG 4.33Å; V155-L159 WeakPolarHBondContact O-CB 3.13Å; V155-L159 VanDerWaalsContact O-CG 3.23Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.47Å; H156-L159 PolarHBondContact O-N 3.33Å; I157-L159 VanDerWaalsContact C-N 3.33Å; I157-L159 PolarHBondContact O-N 2.98Å; L159-Y161 PolarHBondContact O-N 3.21Å; L159-K162 PolarHBondContact O-N 3.42Å; L159-T165 HydrophobicContact CD2-CG2 3.46Å; L159-T165 VanDerWaalsContact CD2-CG2 3.46Å; L159-L190 HydrophobicContact CD1-CD1 4.46Å; L159-L190 HydrophobicContact CD1-CD2 4.18Å; L159-L190 HydrophobicContact CD1-CG 4.09Å; L159-Q194 HydrophobicContact CD1-CB 4.07Å; L159-Q194 HydrophobicContact CD1-CG 3.9Å; L159-Q194 HydrophobicContact CD2-CB 4.1Å
160F98.3Very high98.3Very high146 Ų14649.2 Ų49.264%0.6424%0.244SC*.Hα-helixtrans-57.1-42.2174.3178.7-93.2000110.9H156 I157 K162H156-F160 WeakPolarHBondContact O-CB 3.36Å; H156-F160 PolarHBondContact O-N 3.23Å; I157-F160 WeakPolarHBondContact O-CB 3.42Å; I157-F160 PolarHBondContact O-N 2.8Å; F160-K162 PolarHBondContact O-N 3.19Å
161Y98.5Very high98.4Very high59 Ų5954 Ų5423%0.23126%0.26CS..THydrogen-bonded Turntrans-84.721.3174.8-73-79.5000114.5L126 E127 I157 L158 L159 A163L126-Y161 HydrophobicContact CB-CD1 3.79Å; L126-Y161 HydrophobicContact CB-CD2 3.79Å; L126-Y161 HydrophobicContact CB-CE1 4Å; L126-Y161 HydrophobicContact CB-CE2 3.99Å; L126-Y161 HydrophobicContact CB-CG 3.7Å; L126-Y161 HydrophobicContact CD1-CD2 3.45Å; L126-Y161 VanDerWaalsContact CD1-CD2 3.45Å; L126-Y161 HydrophobicContact CD1-CE2 4.14Å; L126-Y161 HydrophobicContact CD1-CG 3.83Å; L126-Y161 HydrophobicContact CD2-CG 4.3Å; L126-Y161 HydrophobicContact CG-CD2 4.16Å; L126-Y161 HydrophobicContact CG-CG 4.14Å; E127-Y161 HydrophobicContact CG-CE1 4.34Å; E127-Y161 WeakPolarHBondContact CG-OH 3.38Å; E127-Y161 PolarHBondContact OE1-OH 2.95Å; I157-Y161 HydrophobicContact CG2-CD2 4.22Å; I157-Y161 HydrophobicContact CG2-CE2 4.44Å; I157-Y161 WeakPolarHBondContact O-CD2 3.43Å; I157-Y161 PolarHBondContact O-N 3.19Å; I157-Y161 VanDerWaalsContact O-N 3.16Å; L158-Y161 CarbonylContact O-C 3.47Å; L158-Y161 PolarHBondContact O-N 3.46Å; L159-Y161 PolarHBondContact O-N 3.21Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.91Å
162K97.7Very high98.4Very high172 Ų17253.3 Ų53.375%0.74826%0.259SS*.THydrogen-bonded Turntrans6328.2171.1-48.9-57.7178.9-172.10115.4L158 L159 F160L158-K162 PolarHBondContact O-N 3.18Å; L159-K162 PolarHBondContact O-N 3.42Å; F160-K162 PolarHBondContact O-N 3.19Å
163A98.3Very high98.4Very high7 Ų751.1 Ų51.16%0.05825%0.247CC..  trans-58.2137.216900000111.4P132 D133 M143 L158 Y161P132-A163 HydrophobicContact CB-CB 3.77Å; D133-A163 WeakPolarHBondContact OD1-CA 3.43Å; M143-A163 HydrophobicContact CE-CB 3.61Å; L158-A163 HydrophobicContact CB-CB 3.87Å; L158-A163 WeakPolarHBondContact O-CB 3.36Å; L158-A163 PolarHBondContact O-N 2.86Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 2.91Å
164S98.3Very high98.4Very high43 Ų4345.4 Ų45.430%0.30122%0.222SC..  trans-73.7132.1176.4179.90000111.5D133D133-S164 PolarHBondContact OD1-N 3.33Å
165T98Very high98.4Very high11 Ų1145.4 Ų45.47%0.06722%0.222CC..SBendtrans-86.9-9.1-179.8520000114M143 L159 P175 L191M143-T165 HydrophobicContact SD-CG2 3.86Å; L159-T165 HydrophobicContact CD2-CG2 3.46Å; L159-T165 VanDerWaalsContact CD2-CG2 3.46Å; T165-P175 WeakPolarHBondContact O-CD 3.34Å; T165-L191 HydrophobicContact CG2-CD2 3.85Å
166N98.4Very high98.5Very high51 Ų5145.4 Ų45.427%0.27322%0.222SC..  trans-119.28.2-168-69-44.3000113.8Q168 G195 A196 S197 I200N166-Q168 PolarHBondContact O-N 3.37Å; N166-G195 PolarHBondContact ND2-O 3.29Å; N166-A196 WeakPolarHBondContact OD1-CA 3.4Å; N166-S197 PolarHBondContact OD1-N 3.1Å; N166-I200 HydrophobicContact CB-CD1 3.76Å
167I98.7Very high98.5Very high24 Ų2440.8 Ų40.812%0.12320%0.201CC..  trans-62.1134172.8-68.3170.9000108.7D133 K135 T141 H144 T174 P175D133-I167 HydrophobicContact CB-CD1 3.66Å; K135-I167 HydrophobicContact CD-CG2 4.36Å; T141-I167 HydrophobicContact CG2-CB 4.28Å; T141-I167 HydrophobicContact CG2-CD1 3.81Å; T141-I167 HydrophobicContact CG2-CG2 3.87Å; H144-I167 PolarHBondContact CE1-O 3.49Å; H144-I167 PolarHBondContact NE2-O 2.97Å; H144-I167 VanDerWaalsContact NE2-O 3.15Å; I167-T174 WeakPolarHBondContact O-CA 3.47Å; I167-P175 WeakPolarHBondContact O-CD 3.43Å
168Q98.7Very high98.4Very high78 Ų7841.6 Ų41.636%0.36421%0.205SC..  trans-97.7135.6174.5-67.3-179.4-82.700110.4N166 G172 N173 T174 I200 E201N166-Q168 PolarHBondContact O-N 3.37Å; Q168-G172 WeakPolarHBondContact CG-O 3.5Å; Q168-G172 PolarHBondContact NE2-O 3.17Å; Q168-N173 WeakPolarHBondContact CA-O 3.41Å; Q168-T174 HydrophobicContact CG-CG2 3.75Å; Q168-I200 HydrophobicContact CG-CG2 3.96Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.27Å; Q168-E201 PolarHBondContact NE2-O 3.48Å
169D98.7Very high98.4Very high23 Ų2341.6 Ų41.612%0.12321%0.205CC..  trans-77.8-173.9170.971.414000112.2Y138 A140 E171 G172 N173Y138-D169 WeakPolarHBondContact O-CB 3.47Å; A140-D169 HydrophobicContact CB-CB 4.21Å; D169-E171 PolarHBondContact O-N 3.15Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD1-CA 3.37Å; D169-E171 WeakPolarHBondContact OD1-CB 3.49Å; D169-E171 PolarHBondContact OD1-N 3.07Å; D169-G172 PolarHBondContact O-N 3Å; D169-G172 PolarHBondContact OD1-N 3.33Å; D169-G172 VanDerWaalsContact OD1-N 3.14Å; D169-N173 PolarHBondContact N-O 3.36Å; D169-N173 PolarHBondContact OD1-N 3.35Å
170T98.4Very high98.4Very high56 Ų5640.5 Ų40.534%0.34420%0.199SC..THydrogen-bonded Turntrans-62.7-19.9-179.845.10000114.3Y138 E139 G172 K203Y138-T170 VanDerWaalsContact C-CG2 3.44Å; Y138-T170 WeakPolarHBondContact O-CG2 3.2Å; Y138-T170 PolarHBondContact O-N 2.85Å; Y138-T170 PolarHBondContact O-OG1 3.11Å; E139-T170 HydrophobicContact CB-CG2 4.1Å; E139-T170 HydrophobicContact CG-CG2 3.87Å; T170-G172 VanDerWaalsContact C-N 3.34Å; T170-K203 WeakPolarHBondContact O-CD 3.2Å; T170-K203 WeakPolarHBondContact O-CE 3.46Å; T170-K203 PolarHBondContact O-NZ 3.17Å
171E98.4Very high98.4Very high121 Ų12136.6 Ų36.657%0.56519%0.185SC*.THydrogen-bonded Turntrans-93.20.1176.2-65.8-179.5-169.500111.8D169 N173 K203D169-E171 PolarHBondContact O-N 3.15Å; D169-E171 VanDerWaalsContact O-N 3.16Å; D169-E171 WeakPolarHBondContact OD1-CA 3.37Å; D169-E171 WeakPolarHBondContact OD1-CB 3.49Å; D169-E171 PolarHBondContact OD1-N 3.07Å; E171-N173 WeakPolarHBondContact CB-ND2 3.38Å; E171-N173 PolarHBondContact OE2-ND2 3.47Å; E171-K203 WeakPolarHBondContact O-CB 3.34Å; E171-K203 WeakPolarHBondContact O-CG 3.4Å; E171-K203 PolarHBondContact O-N 2.9Å
172G98.4Very high98.3Very high7 Ų738 Ų387%0.07219%0.194CC..SBendtrans79.45.3-174.100000112.8Q168 D169 T170 N202Q168-G172 WeakPolarHBondContact CG-O 3.5Å; Q168-G172 PolarHBondContact NE2-O 3.17Å; D169-G172 PolarHBondContact O-N 3Å; D169-G172 PolarHBondContact OD1-N 3.33Å; D169-G172 VanDerWaalsContact OD1-N 3.14Å; T170-G172 VanDerWaalsContact C-N 3.34Å; G172-N202 WeakPolarHBondContact O-CA 3.4Å; G172-N202 WeakPolarHBondContact O-CB 3.33Å
173N98.8Very high98.2Very high14 Ų1435.5 Ų35.58%0.07519%0.185CC..  trans-78.2136.1-179.8-64.5-47000109.7H144 Q168 D169 E171 H177 L178 N202H144-N173 PolarHBondContact NE2-O 3.24Å; Q168-N173 WeakPolarHBondContact CA-O 3.41Å; D169-N173 PolarHBondContact N-O 3.36Å; D169-N173 PolarHBondContact OD1-N 3.35Å; E171-N173 WeakPolarHBondContact CB-ND2 3.38Å; E171-N173 PolarHBondContact OE2-ND2 3.47Å; N173-H177 HydrophobicContact CB-CB 3.86Å; N173-L178 HydrophobicContact CB-CD2 4.15Å; N173-N202 VanDerWaalsContact OD1-CB 3.3Å; N173-N202 WeakPolarHBondContact OD1-CB 3.29Å; N173-N202 PolarHBondContact OD1-ND2 3.22Å
174T98.8Very high98.2Very high0 Ų038.9 Ų38.90%020%0.196CC..  trans-89.6167.2167.2670000110I167 Q168 L176 H177 L178 I200I167-T174 WeakPolarHBondContact O-CA 3.47Å; Q168-T174 HydrophobicContact CG-CG2 3.75Å; T174-L176 PolarHBondContact O-N 2.89Å; T174-L176 VanDerWaalsContact O-N 3.07Å; T174-L176 PolarHBondContact OG1-N 3.13Å; T174-H177 PolarHBondContact N-ND1 3.33Å; T174-H177 WeakPolarHBondContact O-CB 3.49Å; T174-H177 PolarHBondContact O-N 2.97Å; T174-H177 PolarHBondContact OG1-N 3.25Å; T174-H177 PolarHBondContact OG1-ND1 3.5Å; T174-L178 PolarHBondContact O-N 3.13Å; T174-I200 HydrophobicContact CG2-CB 4.2Å; T174-I200 HydrophobicContact CG2-CD1 3.91Å; T174-I200 HydrophobicContact CG2-CG2 3.78Å
175P98.7Very high98.1Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-53.3-31.8172.1-26.934.7000113.4M143 H144 A147 T165 I167 L178 A179 L191M143-P175 HydrophobicContact CB-CB 4.5Å; M143-P175 HydrophobicContact CB-CG 4.06Å; M143-P175 HydrophobicContact CG-CB 3.8Å; M143-P175 HydrophobicContact CG-CG 3.77Å; M143-P175 HydrophobicContact SD-CG 4.39Å; H144-P175 WeakPolarHBondContact NE2-CD 3.48Å; A147-P175 HydrophobicContact CB-CB 3.85Å; A147-P175 VanDerWaalsContact CB-O 3.3Å; A147-P175 WeakPolarHBondContact CB-O 3.23Å; T165-P175 WeakPolarHBondContact O-CD 3.34Å; I167-P175 WeakPolarHBondContact O-CD 3.43Å; P175-L178 PolarHBondContact O-N 3.04Å; P175-A179 PolarHBondContact O-N 2.88Å; P175-L191 HydrophobicContact CB-CD1 4.27Å
176L98.6Very high98.1Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-69.4-36.3176.6-174.361.3000112.7T174 L178 A179 C180 A188 L191 V192 A196 I198 P208 L220T174-L176 PolarHBondContact O-N 2.89Å; T174-L176 VanDerWaalsContact O-N 3.07Å; T174-L176 PolarHBondContact OG1-N 3.13Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.11Å; L176-A179 PolarHBondContact O-N 3.25Å; L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 3.46Å; L176-A188 HydrophobicContact CD1-CB 3.83Å; L176-L191 HydrophobicContact CB-CD1 4.48Å; L176-L191 HydrophobicContact CD1-CB 4.13Å; L176-L191 HydrophobicContact CD1-CD1 4.4Å; L176-V192 HydrophobicContact CD1-CG2 3.96Å; L176-V192 HydrophobicContact CD2-CG2 3.61Å; L176-V192 HydrophobicContact CG-CG2 4.46Å; L176-A196 HydrophobicContact CB-CB 4.25Å; L176-A196 HydrophobicContact CD2-CB 3.95Å; L176-I198 HydrophobicContact CD2-CG2 4.02Å; L176-P208 HydrophobicContact CB-CB 4.39Å; L176-P208 HydrophobicContact CB-CG 4.33Å; L176-P208 HydrophobicContact CD2-CB 3.94Å; L176-P208 HydrophobicContact CD2-CG 3.98Å; L176-P208 HydrophobicContact CG-CB 3.76Å; L176-P208 HydrophobicContact CG-CG 4.09Å; L176-L220 HydrophobicContact CD1-CD1 4.26Å
177H98.7Very high98Very high1 Ų142.2 Ų42.21%0.00521%0.208CC..Hα-helixtrans-58.1-46.4172.4-70.982.5000110.6N173 T174 C180 D181 I200 K206 P208N173-H177 HydrophobicContact CB-CB 3.86Å; T174-H177 PolarHBondContact N-ND1 3.33Å; T174-H177 WeakPolarHBondContact O-CB 3.49Å; T174-H177 PolarHBondContact O-N 2.97Å; T174-H177 PolarHBondContact OG1-N 3.25Å; T174-H177 PolarHBondContact OG1-ND1 3.5Å; H177-C180 WeakPolarHBondContact O-CB 3.4Å; H177-C180 PolarHBondContact O-N 2.77Å; H177-D181 PolarHBondContact O-N 3.31Å; H177-I200 PolarHBondContact CE1-O 3.34Å; H177-I200 PolarHBondContact NE2-O 3.12Å; H177-K206 PolarHBondContact NE2-O 3.36Å; H177-P208 VanDerWaalsContact CE1-CD 3.49Å; H177-P208 WeakPolarHBondContact CE1-CD 3.37Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å
178L98.3Very high98Very high38 Ų3841.1 Ų41.120%0.19920%0.202CC..Hα-helixtrans-66.7-42-179.7-56.6-176.2000112.2H144 A148 N173 T174 P175 L176 C180 D181 E182H144-L178 HydrophobicContact CB-CD1 3.77Å; A148-L178 HydrophobicContact CB-CB 4.03Å; A148-L178 HydrophobicContact CB-CD1 4.27Å; N173-L178 HydrophobicContact CB-CD2 4.15Å; T174-L178 PolarHBondContact O-N 3.13Å; P175-L178 PolarHBondContact O-N 3.04Å; L176-L178 VanDerWaalsContact C-N 3.3Å; L176-L178 PolarHBondContact O-N 3.11Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.81Å; L178-D181 PolarHBondContact O-N 3.48Å; L178-E182 VanDerWaalsContact O-CB 3.28Å; L178-E182 WeakPolarHBondContact O-CB 3.18Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 3.38Å
179A98Very high97.9Very high0 Ų040 Ų400%020%0.197CC..Hα-helixtrans-60.5-39.2174.400000112A147 P175 L176 E183 R184 A188 L191A147-A179 HydrophobicContact CB-CB 4.29Å; P175-A179 PolarHBondContact O-N 2.88Å; L176-A179 PolarHBondContact O-N 3.25Å; A179-E183 PolarHBondContact O-N 3.21Å; A179-R184 HydrophobicContact CB-CB 4.13Å; A179-R184 WeakPolarHBondContact O-CB 3.28Å; A179-R184 PolarHBondContact O-N 2.91Å; A179-A188 HydrophobicContact CB-CB 4.08Å; A179-L191 HydrophobicContact CB-CD1 4.27Å
180C97.9Very high97.9Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-68.1-44.5177.4-780000113.1L176 H177 L178 E182 E183 P208 A212 L220L176-C180 WeakPolarHBondContact O-CB 3.39Å; L176-C180 PolarHBondContact O-N 3.13Å; L176-C180 PolarHBondContact O-SG 3.46Å; H177-C180 WeakPolarHBondContact O-CB 3.4Å; H177-C180 PolarHBondContact O-N 2.77Å; L178-C180 VanDerWaalsContact C-N 3.28Å; L178-C180 PolarHBondContact O-N 2.81Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 2.98Å; C180-E183 PolarHBondContact O-N 2.93Å; C180-P208 WeakPolarHBondContact CB-O 3.5Å; C180-P208 PolarHBondContact SG-O 3.04Å; C180-P208 VanDerWaalsContact SG-O 3.36Å; C180-A212 HydrophobicContact CB-CB 3.86Å; C180-L220 WeakPolarHBondContact SG-CD1 3.46Å
181D97.5Very high97.8Very high64 Ų6437.2 Ų37.234%0.34218%0.179SC..Hα-helixtrans-65.2-37.6179.2-172.543000111.8H177 L178 E183 V211 K213H177-D181 PolarHBondContact O-N 3.31Å; L178-D181 PolarHBondContact O-N 3.48Å; D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 3.48Å; D181-V211 HydrophobicContact CB-CG1 3.64Å; D181-K213 WeakPolarHBondContact O-CE 3.36Å; D181-K213 PolarHBondContact O-NZ 3.48Å; D181-K213 WeakPolarHBondContact OD1-CE 3.48Å; D181-K213 IonicContact OD1-NZ 2.74Å; D181-K213 PolarHBondContact OD1-NZ 2.9Å
182E97.1Very high97.8Very high87 Ų8732 Ų3241%0.40716%0.156SC..THydrogen-bonded Turntrans-87.17.7-179.5-68.9-76159.400113.7A148 L178 C180 R184A148-E182 HydrophobicContact CB-CG 4.47Å; A148-E182 WeakPolarHBondContact O-CB 3.25Å; A148-E182 WeakPolarHBondContact O-CG 3.43Å; L178-E182 VanDerWaalsContact O-CB 3.28Å; L178-E182 WeakPolarHBondContact O-CB 3.18Å; L178-E182 WeakPolarHBondContact O-CG 3.46Å; L178-E182 PolarHBondContact O-N 3.38Å; C180-E182 VanDerWaalsContact C-N 3.31Å; C180-E182 PolarHBondContact O-N 2.98Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.78Å; E182-R184 WeakPolarHBondContact O-CD 3.37Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-R184 PolarHBondContact O-NE 3.5Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NH2 2.73Å; E182-R184 PolarHBondContact OE2-NH2 3.37Å
183E96.7Very high97.7Very high121 Ų12135.7 Ų35.757%0.56518%0.177SC*.THydrogen-bonded Turntrans56.434.8178.2-60.1-179.6-105.800114A179 C180 D181 V185 K213A179-E183 PolarHBondContact O-N 3.21Å; C180-E183 PolarHBondContact O-N 2.93Å; D181-E183 VanDerWaalsContact C-N 3.29Å; D181-E183 PolarHBondContact O-N 3.48Å; E183-V185 VanDerWaalsContact C-N 3.34Å; E183-V185 PolarHBondContact O-N 2.95Å; E183-K213 HydrophobicContact CG-CB 3.94Å; E183-K213 HydrophobicContact CG-CD 4.22Å
184R97.3Very high97.5Very high77 Ų7740.4 Ų40.429%0.29120%0.198SC..  trans-82.875.6179.3-50.3-54.9-175.5-155.7-18.7110.5A147 A148 A179 E182 E186 E187 A188A147-R184 WeakPolarHBondContact O-CG 3.47Å; A148-R184 PolarHBondContact O-NE 3.43Å; A148-R184 PolarHBondContact O-NH2 3.01Å; A179-R184 HydrophobicContact CB-CB 4.13Å; A179-R184 WeakPolarHBondContact O-CB 3.28Å; A179-R184 PolarHBondContact O-N 2.91Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 HydrophobicContact CB-CG 3.78Å; E182-R184 WeakPolarHBondContact O-CD 3.37Å; E182-R184 PolarHBondContact O-N 3.47Å; E182-R184 PolarHBondContact O-NE 3.5Å; E182-R184 IonicContact OE2-CZ 2.91Å; E182-R184 IonicContact OE2-NH2 2.73Å; E182-R184 PolarHBondContact OE2-NH2 3.37Å; R184-E186 PolarHBondContact O-N 3.23Å; R184-E187 HydrophobicContact CB-CB 3.99Å; R184-E187 HydrophobicContact CB-CG 4.31Å; R184-E187 WeakPolarHBondContact CB-OE2 3.37Å; R184-E187 PolarHBondContact O-N 2.9Å; R184-A188 VanDerWaalsContact O-CB 3.23Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.39Å
185V96.2Very high97.3Very high54 Ų5442.7 Ų42.733%0.32722%0.222SC..Hα-helixtrans-57.7-49.1-169.51770000112.9E183 K189 L216E183-V185 VanDerWaalsContact C-N 3.34Å; E183-V185 PolarHBondContact O-N 2.95Å; V185-K189 HydrophobicContact CG1-CD 4.23Å; V185-K189 VanDerWaalsContact CG1-CE 3.49Å; V185-K189 WeakPolarHBondContact O-CG 3.22Å; V185-K189 PolarHBondContact O-N 3.23Å; V185-L216 HydrophobicContact CB-CD1 4.37Å; V185-L216 HydrophobicContact CG1-CD1 4.15Å; V185-L216 HydrophobicContact CG2-CD1 4.24Å
186E97.3Very high97.2Very high101 Ų10143 Ų4347%0.47222%0.224SC..Hα-helixtrans-73.6-36-175.2-63.3-52.7130.100111.9L152 R184 K189 L190L152-E186 HydrophobicContact CD1-CB 4.3Å; L152-E186 HydrophobicContact CD2-CB 4.3Å; R184-E186 PolarHBondContact O-N 3.23Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 2.66Å; E186-K189 IonicContact OE2-NZ 2.67Å; E186-L190 VanDerWaalsContact O-CB 3.3Å; E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 PolarHBondContact O-N 3.11Å
187E97.1Very high97.2Very high21 Ų2144.5 Ų44.510%0.09824%0.235CC..Hα-helixtrans-66.2-44.1174.2-65.177.1-177.500111.5G150 L152 R184 L190 L191G150-E187 VanDerWaalsContact CA-OE1 3.29Å; G150-E187 WeakPolarHBondContact CA-OE1 3.25Å; L152-E187 HydrophobicContact CB-CG 4.23Å; L152-E187 WeakPolarHBondContact CB-OE1 3.18Å; L152-E187 HydrophobicContact CD1-CG 3.98Å; L152-E187 PolarHBondContact N-OE1 3.4Å; R184-E187 HydrophobicContact CB-CB 3.99Å; R184-E187 HydrophobicContact CB-CG 4.31Å; R184-E187 WeakPolarHBondContact CB-OE2 3.37Å; R184-E187 PolarHBondContact O-N 2.9Å; E187-L190 PolarHBondContact O-N 2.91Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 VanDerWaalsContact O-CG 3.28Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.19Å
188A97.7Very high97.1Very high0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-63.2-44.1177.600000111.1L176 A179 R184 L191 V192 L216 L220L176-A188 HydrophobicContact CD1-CB 3.83Å; A179-A188 HydrophobicContact CB-CB 4.08Å; R184-A188 VanDerWaalsContact O-CB 3.23Å; R184-A188 WeakPolarHBondContact O-CB 3.44Å; R184-A188 PolarHBondContact O-N 3.39Å; A188-L191 PolarHBondContact O-N 3.27Å; A188-V192 WeakPolarHBondContact O-CG2 3.43Å; A188-V192 PolarHBondContact O-N 3.44Å; A188-L216 HydrophobicContact CB-CD1 4.43Å; A188-L216 HydrophobicContact CB-CD2 4.32Å; A188-L220 HydrophobicContact CB-CD1 4.07Å; A188-L220 HydrophobicContact CB-CD2 4.01Å
189K97.6Very high97.1Very high56 Ų5649.8 Ų49.824%0.24325%0.254CS..Hα-helixtrans-59.3-48.1172.7-71.1171.7-175.6167.50111.3V185 E186 L191 V192 T193 I219 L220 I223V185-K189 HydrophobicContact CG1-CD 4.23Å; V185-K189 VanDerWaalsContact CG1-CE 3.49Å; V185-K189 WeakPolarHBondContact O-CG 3.22Å; V185-K189 PolarHBondContact O-N 3.23Å; E186-K189 IonicContact OE1-NZ 2.76Å; E186-K189 PolarHBondContact OE1-NZ 2.66Å; E186-K189 IonicContact OE2-NZ 2.67Å; K189-L191 PolarHBondContact O-N 3.35Å; K189-V192 PolarHBondContact O-N 3.2Å; K189-T193 WeakPolarHBondContact O-CG2 3.32Å; K189-T193 PolarHBondContact O-N 3.18Å; K189-T193 PolarHBondContact O-OG1 2.73Å; K189-I219 HydrophobicContact CG-CG2 4.49Å; K189-L220 HydrophobicContact CG-CD2 4.23Å; K189-I223 HydrophobicContact CB-CD1 4.17Å; K189-I223 HydrophobicContact CG-CD1 3.74Å
190L97.7Very high97.1Very high20 Ų2051.6 Ų51.611%0.10526%0.263CS..Hα-helixtrans-57.6-49.1178.6176.463.2000110.9L152 V155 H156 L159 E186 E187 V192 T193 Q194L152-L190 HydrophobicContact CD1-CB 4.25Å; L152-L190 HydrophobicContact CD1-CD2 3.69Å; V155-L190 HydrophobicContact CB-CD2 4.19Å; V155-L190 HydrophobicContact CG1-CD2 3.75Å; V155-L190 HydrophobicContact CG1-CG 4.43Å; H156-L190 WeakPolarHBondContact CE1-CD1 3.35Å; H156-L190 WeakPolarHBondContact NE2-CD2 3.35Å; L159-L190 HydrophobicContact CD1-CD1 4.46Å; L159-L190 HydrophobicContact CD1-CD2 4.18Å; L159-L190 HydrophobicContact CD1-CG 4.09Å; E186-L190 VanDerWaalsContact O-CB 3.3Å; E186-L190 WeakPolarHBondContact O-CB 3.47Å; E186-L190 PolarHBondContact O-N 3.11Å; E187-L190 PolarHBondContact O-N 2.91Å; L190-V192 PolarHBondContact O-N 2.9Å; L190-T193 WeakPolarHBondContact CA-OG1 3.34Å; L190-T193 PolarHBondContact O-N 3.2Å; L190-T193 PolarHBondContact O-OG1 2.77Å; L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 WeakPolarHBondContact O-CB 3.35Å; L190-Q194 WeakPolarHBondContact O-CG 3.35Å; L190-Q194 PolarHBondContact O-N 3.26Å
191L97.6Very high97.2Very high0 Ų056.9 Ų56.90%029%0.288CS..Hα-helixtrans-58.8-46.6179.1-75.1171.3000111.5M143 A147 V155 T165 P175 L176 A179 E187 A188 K189 Q194 G195 A196M143-L191 HydrophobicContact CG-CD2 4.44Å; M143-L191 HydrophobicContact SD-CD2 3.82Å; A147-L191 HydrophobicContact CB-CD1 4.12Å; V155-L191 HydrophobicContact CG1-CD2 3.9Å; V155-L191 HydrophobicContact CG1-CG 4.26Å; T165-L191 HydrophobicContact CG2-CD2 3.85Å; P175-L191 HydrophobicContact CB-CD1 4.27Å; L176-L191 HydrophobicContact CB-CD1 4.48Å; L176-L191 HydrophobicContact CD1-CB 4.13Å; L176-L191 HydrophobicContact CD1-CD1 4.4Å; A179-L191 HydrophobicContact CB-CD1 4.27Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 VanDerWaalsContact O-CG 3.28Å; E187-L191 WeakPolarHBondContact O-CG 3.45Å; E187-L191 PolarHBondContact O-N 3.19Å; A188-L191 PolarHBondContact O-N 3.27Å; K189-L191 PolarHBondContact O-N 3.35Å; L191-Q194 CarbonylContact O-C 3.36Å; L191-Q194 PolarHBondContact O-N 3.33Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; L191-G195 PolarHBondContact O-N 3.34Å; L191-A196 VanDerWaalsContact C-CB 3.41Å; L191-A196 HydrophobicContact CB-CB 3.8Å; L191-A196 WeakPolarHBondContact O-CB 3.43Å; L191-A196 PolarHBondContact O-N 3.46Å
192V97.5Very high97.2Very high12 Ų1254.6 Ų54.67%0.07328%0.276CS..Hα-helixtrans-61.5-46.9177.41710000111.6L176 A188 K189 L190 Q194 G195 I198 L220 I223 V224L176-V192 HydrophobicContact CD1-CG2 3.96Å; L176-V192 HydrophobicContact CD2-CG2 3.61Å; L176-V192 HydrophobicContact CG-CG2 4.46Å; A188-V192 WeakPolarHBondContact O-CG2 3.43Å; A188-V192 PolarHBondContact O-N 3.44Å; K189-V192 PolarHBondContact O-N 3.2Å; L190-V192 PolarHBondContact O-N 2.9Å; V192-Q194 PolarHBondContact O-N 2.98Å; V192-Q194 VanDerWaalsContact O-N 3.11Å; V192-G195 PolarHBondContact O-N 2.85Å; V192-I198 HydrophobicContact CG2-CG2 3.82Å; V192-L220 HydrophobicContact CG2-CB 4.41Å; V192-L220 HydrophobicContact CG2-CD1 4.46Å; V192-L220 HydrophobicContact CG2-CD2 3.98Å; V192-L220 HydrophobicContact CG2-CG 4.49Å; V192-I223 HydrophobicContact CG1-CB 4.29Å; V192-I223 HydrophobicContact CG1-CG2 3.8Å; V192-V224 HydrophobicContact CG1-CG2 3.4Å; V192-V224 VanDerWaalsContact CG1-CG2 3.4Å
193T96.3Very high97.3Very high84 Ų8458.2 Ų58.252%0.51529%0.29SS..Hα-helixtrans-63.4-18.4176.760.50000113.4K189 L190 I223K189-T193 WeakPolarHBondContact O-CG2 3.32Å; K189-T193 PolarHBondContact O-N 3.18Å; K189-T193 PolarHBondContact O-OG1 2.73Å; L190-T193 WeakPolarHBondContact CA-OG1 3.34Å; L190-T193 PolarHBondContact O-N 3.2Å; L190-T193 PolarHBondContact O-OG1 2.77Å; T193-I223 HydrophobicContact CG2-CG2 3.91Å
194Q95.9Very high97.3Very high112 Ų11258.4 Ų58.452%0.52329%0.291SS..THydrogen-bonded Turntrans-10418.6178.6-62.5-69.4-4100112.4L159 L190 L191 V192L159-Q194 HydrophobicContact CD1-CB 4.07Å; L159-Q194 HydrophobicContact CD1-CG 3.9Å; L159-Q194 HydrophobicContact CD2-CB 4.1Å; L190-Q194 HydrophobicContact CD1-CG 3.98Å; L190-Q194 WeakPolarHBondContact O-CB 3.35Å; L190-Q194 WeakPolarHBondContact O-CG 3.35Å; L190-Q194 PolarHBondContact O-N 3.26Å; L191-Q194 CarbonylContact O-C 3.36Å; L191-Q194 PolarHBondContact O-N 3.33Å; L191-Q194 VanDerWaalsContact O-N 3.1Å; V192-Q194 PolarHBondContact O-N 2.98Å; V192-Q194 VanDerWaalsContact O-N 3.11Å
195G93.4Very high97.4Very high49 Ų4962 Ų6251%0.50531%0.311SS..THydrogen-bonded Turntrans89.915.9170.300000115.4N166 L191 V192 S197N166-G195 PolarHBondContact ND2-O 3.29Å; L191-G195 PolarHBondContact O-N 3.34Å; V192-G195 PolarHBondContact O-N 2.85Å; G195-S197 PolarHBondContact O-N 2.97Å
196A97.6Very high97.5Very high5 Ų563.5 Ų63.54%0.04131%0.313CS..  trans-66.4127.8167.500000110.1N166 L176 L191N166-A196 WeakPolarHBondContact OD1-CA 3.4Å; L176-A196 HydrophobicContact CB-CB 4.25Å; L176-A196 HydrophobicContact CD2-CB 3.95Å; L191-A196 VanDerWaalsContact C-CB 3.41Å; L191-A196 HydrophobicContact CB-CB 3.8Å; L191-A196 WeakPolarHBondContact O-CB 3.43Å; L191-A196 PolarHBondContact O-N 3.46Å
197S97.9Very high97.5Very high33 Ų3359.7 Ų59.723%0.23130%0.296CS..  trans-76.7129.6-179178.60000110.9N166 G195 Y199N166-S197 PolarHBondContact OD1-N 3.1Å; G195-S197 PolarHBondContact O-N 2.97Å; S197-Y199 VanDerWaalsContact C-N 3.26Å; S197-Y199 PolarHBondContact OG-N 3.43Å; S197-Y199 VanDerWaalsContact OG-N 3.16Å
198I97.4Very high97.5Very high3 Ų358.7 Ų58.72%0.01529%0.292CS..SBendtrans-83.60.3171.558.7162.2000113.1L176 V192 T207 L209 V224L176-I198 HydrophobicContact CD2-CG2 4.02Å; V192-I198 HydrophobicContact CG2-CG2 3.82Å; I198-T207 WeakPolarHBondContact O-CB 3.42Å; I198-L209 HydrophobicContact CB-CD1 4.26Å; I198-L209 HydrophobicContact CB-CD2 4.11Å; I198-L209 HydrophobicContact CB-CG 4.02Å; I198-L209 HydrophobicContact CD1-CD1 3.93Å; I198-L209 HydrophobicContact CG2-CD2 4.07Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.95Å; I198-V224 HydrophobicContact CD1-CG2 3.7Å; I198-V224 HydrophobicContact CG1-CG1 4.41Å; I198-V224 HydrophobicContact CG1-CG2 4.02Å; I198-V224 HydrophobicContact CG2-CG2 4.01Å
199Y97.9Very high97.5Very high147 Ų14760.5 Ų60.558%0.57630%0.302SS*.  trans-111-6.5-173-53.2-69.8000114.1S197 E201S197-Y199 VanDerWaalsContact C-N 3.26Å; S197-Y199 PolarHBondContact OG-N 3.43Å; S197-Y199 VanDerWaalsContact OG-N 3.16Å; Y199-E201 PolarHBondContact O-N 3.13Å
200I98.3Very high97.4Very high37 Ų3763.7 Ų63.719%0.1932%0.317CS..  trans-69.7127178.3-67.6169.4000108.1N166 Q168 T174 H177 T207 P208N166-I200 HydrophobicContact CB-CD1 3.76Å; Q168-I200 HydrophobicContact CG-CG2 3.96Å; Q168-I200 VanDerWaalsContact NE2-CG2 3.27Å; T174-I200 HydrophobicContact CG2-CB 4.2Å; T174-I200 HydrophobicContact CG2-CD1 3.91Å; T174-I200 HydrophobicContact CG2-CG2 3.78Å; H177-I200 PolarHBondContact CE1-O 3.34Å; H177-I200 PolarHBondContact NE2-O 3.12Å; I200-T207 WeakPolarHBondContact O-CA 3.38Å; I200-P208 WeakPolarHBondContact O-CD 3.45Å
201E98.4Very high97.4Very high111 Ų11164 Ų6452%0.51932%0.32SS..  trans-92.8138.3175.3-69.7173.7-178.500110.5Q168 Y199 K206 T207Q168-E201 PolarHBondContact NE2-O 3.48Å; Y199-E201 PolarHBondContact O-N 3.13Å; E201-K206 WeakPolarHBondContact CA-O 3.08Å; E201-T207 HydrophobicContact CG-CG2 3.81Å
202N98.3Very high97.3Very high17 Ų1764.7 Ų64.79%0.09133%0.326CS..  trans-79.8-176.7169.3735.6000111.4G172 N173 E204 E205 K206G172-N202 WeakPolarHBondContact O-CA 3.4Å; G172-N202 WeakPolarHBondContact O-CB 3.33Å; N173-N202 VanDerWaalsContact OD1-CB 3.3Å; N173-N202 WeakPolarHBondContact OD1-CB 3.29Å; N173-N202 PolarHBondContact OD1-ND2 3.22Å; N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.15Å; N202-E204 WeakPolarHBondContact OD1-CA 3.29Å; N202-E204 WeakPolarHBondContact OD1-CB 3.21Å; N202-E204 PolarHBondContact OD1-N 3.32Å; N202-E205 PolarHBondContact O-N 3.34Å; N202-E205 PolarHBondContact OD1-N 3.19Å; N202-K206 PolarHBondContact N-O 3.02Å; N202-K206 PolarHBondContact OD1-N 2.98Å; N202-K206 PolarHBondContact OD1-O 3.45Å
203K98.4Very high96.9Very high163 Ų16368.5 Ų68.571%0.70934%0.341SS*.THydrogen-bonded Turntrans-65.4-14.3179.5-74.2-176174.4176.10114.7T170 E171 E205T170-K203 WeakPolarHBondContact O-CD 3.2Å; T170-K203 WeakPolarHBondContact O-CE 3.46Å; T170-K203 PolarHBondContact O-NZ 3.17Å; E171-K203 WeakPolarHBondContact O-CB 3.34Å; E171-K203 WeakPolarHBondContact O-CG 3.4Å; E171-K203 PolarHBondContact O-N 2.9Å; K203-E205 VanDerWaalsContact C-N 3.29Å
204E98Very high96.5Very high125 Ų12568.2 Ų68.258%0.58436%0.355SS*.THydrogen-bonded Turntrans-91.811.5172.4-57.3-172174.700112.5N202 K206N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.15Å; N202-E204 WeakPolarHBondContact OD1-CA 3.29Å; N202-E204 WeakPolarHBondContact OD1-CB 3.21Å; N202-E204 PolarHBondContact OD1-N 3.32Å; E204-K206 HydrophobicContact CB-CD 4.21Å; E204-K206 HydrophobicContact CB-CG 4.27Å; E204-K206 PolarHBondContact O-N 3.33Å; E204-K206 WeakPolarHBondContact OE2-CE 3.32Å; E204-K206 IonicContact OE2-NZ 3.64Å; E204-K206 PolarHBondContact OE2-NZ 2.86Å
205E98.1Very high96.3Very high151 Ų15165 Ų6571%0.70635%0.352SS*.SBendtrans59.629.5-176.9-54.8177.3170.400112.3N202 K203N202-E205 PolarHBondContact O-N 3.34Å; N202-E205 PolarHBondContact OD1-N 3.19Å; K203-E205 VanDerWaalsContact C-N 3.29Å
206K98.3Very high96.3Very high87 Ų8763 Ų6338%0.37833%0.33SS..  trans-107.4129.8177.6-65.5174.3-175161.70110.4H177 E201 N202 E204 Q210 V211H177-K206 PolarHBondContact NE2-O 3.36Å; E201-K206 WeakPolarHBondContact CA-O 3.08Å; N202-K206 PolarHBondContact N-O 3.02Å; N202-K206 PolarHBondContact OD1-N 2.98Å; N202-K206 PolarHBondContact OD1-O 3.45Å; E204-K206 HydrophobicContact CB-CD 4.21Å; E204-K206 HydrophobicContact CB-CG 4.27Å; E204-K206 PolarHBondContact O-N 3.33Å; E204-K206 WeakPolarHBondContact OE2-CE 3.32Å; E204-K206 IonicContact OE2-NZ 3.64Å; E204-K206 PolarHBondContact OE2-NZ 2.86Å; K206-Q210 HydrophobicContact CB-CB 4.29Å; K206-V211 HydrophobicContact CB-CG2 3.84Å; K206-V211 HydrophobicContact CD-CG2 4.32Å
207T98.3Very high96.1Very high20 Ų2063.3 Ų63.312%0.12333%0.333CS..  trans-76.1163.3166.862.30000111.5I198 I200 E201 L209 Q210 V211I198-T207 WeakPolarHBondContact O-CB 3.42Å; I200-T207 WeakPolarHBondContact O-CA 3.38Å; E201-T207 HydrophobicContact CG-CG2 3.81Å; T207-L209 PolarHBondContact O-N 3.4Å; T207-L209 VanDerWaalsContact O-N 3.09Å; T207-Q210 PolarHBondContact O-N 2.89Å; T207-Q210 PolarHBondContact OG1-N 3.34Å; T207-Q210 PolarHBondContact OG1-OE1 3.35Å; T207-V211 PolarHBondContact O-N 3.45Å; T207-V211 VanDerWaalsContact O-N 3.11Å
208P97.8Very high95.8Very high0 Ų068.1 Ų68.10%036%0.355CS..Hα-helixtrans-57.3-29174.6-21.829.7000113.3L176 H177 C180 I200 A212L176-P208 HydrophobicContact CB-CB 4.39Å; L176-P208 HydrophobicContact CB-CG 4.33Å; L176-P208 HydrophobicContact CD2-CB 3.94Å; L176-P208 HydrophobicContact CD2-CG 3.98Å; L176-P208 HydrophobicContact CG-CB 3.76Å; L176-P208 HydrophobicContact CG-CG 4.09Å; H177-P208 VanDerWaalsContact CE1-CD 3.49Å; H177-P208 WeakPolarHBondContact CE1-CD 3.37Å; H177-P208 WeakPolarHBondContact NE2-CD 3.49Å; C180-P208 WeakPolarHBondContact CB-O 3.5Å; C180-P208 PolarHBondContact SG-O 3.04Å; C180-P208 VanDerWaalsContact SG-O 3.36Å; I200-P208 WeakPolarHBondContact O-CD 3.45Å; P208-A212 WeakPolarHBondContact O-CB 3.48Å; P208-A212 PolarHBondContact O-N 2.76Å
209L96.6Very high95.7Very high39 Ų3971.4 Ų71.420%0.20437%0.373CS..Hα-helixtrans-69.6-35.4177.6-59.5-173.2000112.6I198 T207 G217 L220 K221I198-L209 HydrophobicContact CB-CD1 4.26Å; I198-L209 HydrophobicContact CB-CD2 4.11Å; I198-L209 HydrophobicContact CB-CG 4.02Å; I198-L209 HydrophobicContact CD1-CD1 3.93Å; I198-L209 HydrophobicContact CG2-CD2 4.07Å; T207-L209 PolarHBondContact O-N 3.4Å; T207-L209 VanDerWaalsContact O-N 3.09Å; L209-G217 WeakPolarHBondContact CD2-O 3.33Å; L209-L220 HydrophobicContact CD2-CB 3.74Å; L209-L220 HydrophobicContact CD2-CD1 4.38Å; L209-K221 HydrophobicContact CD1-CB 4.11Å; L209-K221 HydrophobicContact CD1-CG 4.47Å
210Q96.6Very high95.5Very high123 Ų12364.4 Ų64.458%0.57535%0.345SS*.Hα-helixtrans-77.9-28.3177.8-72.3160.3-47.800112K206 T207K206-Q210 HydrophobicContact CB-CB 4.29Å; T207-Q210 PolarHBondContact O-N 2.89Å; T207-Q210 PolarHBondContact OG1-N 3.34Å; T207-Q210 PolarHBondContact OG1-OE1 3.35Å
211V96.4Very high95.3Very high25 Ų2567.1 Ų67.115%0.15236%0.355CS..Hα-helixtrans-76.2-30.9173.2177.90000111.7D181 K206 T207 K213D181-V211 HydrophobicContact CB-CG1 3.64Å; K206-V211 HydrophobicContact CB-CG2 3.84Å; K206-V211 HydrophobicContact CD-CG2 4.32Å; T207-V211 PolarHBondContact O-N 3.45Å; T207-V211 VanDerWaalsContact O-N 3.11Å; V211-K213 PolarHBondContact O-N 3.13Å
212A95.4Very high95.1Very high16 Ų1671.2 Ų71.213%0.13237%0.366CS..  trans-57.6128.1-178.600000112.7C180 P208 L216C180-A212 HydrophobicContact CB-CB 3.86Å; P208-A212 WeakPolarHBondContact O-CB 3.48Å; P208-A212 PolarHBondContact O-N 2.76Å; A212-L216 HydrophobicContact CB-CB 4.18Å; A212-L216 HydrophobicContact CB-CG 4.31Å
213K89.4Confident94.9Very high91 Ų9172.7 Ų72.740%0.39637%0.373SS..  trans-84.2151.8176.7-64.8168.8-173.11490111.1D181 E183 V211 L216D181-K213 WeakPolarHBondContact O-CE 3.36Å; D181-K213 PolarHBondContact O-NZ 3.48Å; D181-K213 WeakPolarHBondContact OD1-CE 3.48Å; D181-K213 IonicContact OD1-NZ 2.74Å; D181-K213 PolarHBondContact OD1-NZ 2.9Å; E183-K213 HydrophobicContact CG-CB 3.94Å; E183-K213 HydrophobicContact CG-CD 4.22Å; V211-K213 PolarHBondContact O-N 3.13Å; K213-L216 PolarHBondContact O-N 3.42Å
214G88.7Confident94.6Very high79 Ų7967.7 Ų67.781%0.81436%0.357SS*.THydrogen-bonded Turntrans60.7-134.2177.800000113.6
215G90.8Very high94.1Very high43 Ų4367.9 Ų67.944%0.44336%0.358SS..THydrogen-bonded Turntrans-88.50.2-178.100000115.2G217 L218 I219G215-G217 PolarHBondContact O-N 3.4Å; G215-L218 PolarHBondContact O-N 3Å; G215-I219 WeakPolarHBondContact O-CG1 3.36Å; G215-I219 PolarHBondContact O-N 2.94Å
216L94Very high93Very high8 Ų867.5 Ų67.54%0.04237%0.371CS..Hα-helixtrans-63.4-41.7-171.4178.757.9000112.3V185 A188 A212 K213 L218 I219 L220V185-L216 HydrophobicContact CB-CD1 4.37Å; V185-L216 HydrophobicContact CG1-CD1 4.15Å; V185-L216 HydrophobicContact CG2-CD1 4.24Å; A188-L216 HydrophobicContact CB-CD1 4.43Å; A188-L216 HydrophobicContact CB-CD2 4.32Å; A212-L216 HydrophobicContact CB-CB 4.18Å; A212-L216 HydrophobicContact CB-CG 4.31Å; K213-L216 PolarHBondContact O-N 3.42Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.96Å; L216-I219 WeakPolarHBondContact O-CB 3.46Å; L216-I219 PolarHBondContact O-N 3.39Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CD2 4.15Å; L216-L220 HydrophobicContact CD1-CG 4Å; L216-L220 HydrophobicContact CG-CD1 4.18Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.39Å
217G92.6Very high92.7Very high11 Ų1166.5 Ų66.511%0.11337%0.371CS..Hα-helixtrans-57.7-39.1177.600000113.2L209 G215 L220 K221L209-G217 WeakPolarHBondContact CD2-O 3.33Å; G215-G217 PolarHBondContact O-N 3.4Å; G217-L220 PolarHBondContact O-N 2.92Å; G217-K221 VanDerWaalsContact O-CB 3.32Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 2.75Å
218L93.1Very high92.4Very high134 Ų13468.9 Ų68.970%0.70238%0.384SS*.Hα-helixtrans-67.5-37.5176.5-66.3176.3000112.3G215 L216 R222G215-L218 PolarHBondContact O-N 3Å; L216-L218 VanDerWaalsContact C-N 3.28Å; L216-L218 PolarHBondContact O-N 2.96Å; L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 PolarHBondContact O-N 2.99Å; L218-R222 VanDerWaalsContact O-N 3.08Å
219I93.9Very high92.1Very high73 Ų7372.8 Ų72.837%0.37441%0.405SS..Hα-helixtrans-63.8-49176.7-64.1168.1000109.9K189 G215 L216 R222 I223K189-I219 HydrophobicContact CG-CG2 4.49Å; G215-I219 WeakPolarHBondContact O-CG1 3.36Å; G215-I219 PolarHBondContact O-N 2.94Å; L216-I219 WeakPolarHBondContact O-CB 3.46Å; L216-I219 PolarHBondContact O-N 3.39Å; I219-R222 PolarHBondContact O-N 3.36Å; I219-I223 HydrophobicContact CG2-CD1 4.21Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.45Å; I219-I223 VanDerWaalsContact O-N 3.17Å
220L95.1Very high91.9Very high0 Ų074.8 Ų74.80%042%0.417CS..Hα-helixtrans-65-42.1-178.8-61.8-178.9000111.8L176 C180 A188 K189 V192 L209 L216 G217 R222 I223 V224L176-L220 HydrophobicContact CD1-CD1 4.26Å; C180-L220 WeakPolarHBondContact SG-CD1 3.46Å; A188-L220 HydrophobicContact CB-CD1 4.07Å; A188-L220 HydrophobicContact CB-CD2 4.01Å; K189-L220 HydrophobicContact CG-CD2 4.23Å; V192-L220 HydrophobicContact CG2-CB 4.41Å; V192-L220 HydrophobicContact CG2-CD1 4.46Å; V192-L220 HydrophobicContact CG2-CD2 3.98Å; V192-L220 HydrophobicContact CG2-CG 4.49Å; L209-L220 HydrophobicContact CD2-CB 3.74Å; L209-L220 HydrophobicContact CD2-CD1 4.38Å; L216-L220 HydrophobicContact CD1-CD1 4.32Å; L216-L220 HydrophobicContact CD1-CD2 4.15Å; L216-L220 HydrophobicContact CD1-CG 4Å; L216-L220 HydrophobicContact CG-CD1 4.18Å; L216-L220 HydrophobicContact CG-CG 4.29Å; L216-L220 WeakPolarHBondContact O-CG 3.42Å; L216-L220 PolarHBondContact O-N 3.39Å; G217-L220 PolarHBondContact O-N 2.92Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.87Å; L220-I223 HydrophobicContact CD2-CD1 4.49Å; L220-I223 PolarHBondContact O-N 3.05Å; L220-I223 VanDerWaalsContact O-N 3.15Å; L220-V224 PolarHBondContact O-N 3.34Å
221K93.9Very high91.6Very high94 Ų9471.8 Ų71.841%0.40941%0.407SS..Hα-helixtrans-57.6-44.3174.9-175.5173.3178.4176.50111.6L209 G217 I223 V224 E225L209-K221 HydrophobicContact CD1-CB 4.11Å; L209-K221 HydrophobicContact CD1-CG 4.47Å; G217-K221 VanDerWaalsContact O-CB 3.32Å; G217-K221 WeakPolarHBondContact O-CB 3.4Å; G217-K221 PolarHBondContact O-N 2.75Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 3Å; K221-V224 PolarHBondContact O-N 2.98Å; K221-E225 WeakPolarHBondContact CE-OE1 3.3Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 IonicContact NZ-OE1 2.69Å; K221-E225 WeakPolarHBondContact O-CG 3.35Å; K221-E225 PolarHBondContact O-N 2.74Å; K221-E225 VanDerWaalsContact O-N 3.11Å
222R94Very high91.2Very high196 Ų19674.9 Ų74.974%0.7442%0.424SS*.Hα-helixtrans-62.5-34.3177.7-173.2175.4-178.8-179.80.9113.1L218 I219 L220 S226L218-R222 WeakPolarHBondContact O-CB 3.47Å; L218-R222 PolarHBondContact O-N 2.99Å; L218-R222 VanDerWaalsContact O-N 3.08Å; I219-R222 PolarHBondContact O-N 3.36Å; L220-R222 VanDerWaalsContact C-N 3.3Å; L220-R222 PolarHBondContact O-N 2.87Å; R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.36Å; R222-S226 PolarHBondContact O-N 3.2Å; R222-S226 PolarHBondContact O-OG 3.17Å
223I92.9Very high90.9Very high48 Ų4879.1 Ų79.125%0.24645%0.445CS..Hα-helixtrans-67.9-35.8177.9-68.2167.2000111.5K189 V192 T193 I219 L220 K221 S226K189-I223 HydrophobicContact CB-CD1 4.17Å; K189-I223 HydrophobicContact CG-CD1 3.74Å; V192-I223 HydrophobicContact CG1-CB 4.29Å; V192-I223 HydrophobicContact CG1-CG2 3.8Å; T193-I223 HydrophobicContact CG2-CG2 3.91Å; I219-I223 HydrophobicContact CG2-CD1 4.21Å; I219-I223 WeakPolarHBondContact O-CG1 3.28Å; I219-I223 PolarHBondContact O-N 3.45Å; I219-I223 VanDerWaalsContact O-N 3.17Å; L220-I223 HydrophobicContact CD2-CD1 4.49Å; L220-I223 PolarHBondContact O-N 3.05Å; L220-I223 VanDerWaalsContact O-N 3.15Å; K221-I223 VanDerWaalsContact C-N 3.3Å; K221-I223 PolarHBondContact O-N 3Å; I223-S226 PolarHBondContact O-OG 2.85Å; I223-S226 VanDerWaalsContact O-OG 3.12Å
224V91.9Very high91.1Very high59 Ų5978.2 Ų78.236%0.35845%0.449SS..Hα-helixtrans-77.8-32.3-179.9178.40000111.9V192 I198 L220 K221V192-V224 HydrophobicContact CG1-CG2 3.4Å; V192-V224 VanDerWaalsContact CG1-CG2 3.4Å; I198-V224 HydrophobicContact CD1-CB 3.82Å; I198-V224 HydrophobicContact CD1-CG1 3.95Å; I198-V224 HydrophobicContact CD1-CG2 3.7Å; I198-V224 HydrophobicContact CG1-CG1 4.41Å; I198-V224 HydrophobicContact CG1-CG2 4.02Å; I198-V224 HydrophobicContact CG2-CG2 4.01Å; L220-V224 PolarHBondContact O-N 3.34Å; K221-V224 PolarHBondContact O-N 2.98Å
225E87.4Confident91.3Very high129 Ų12978.1 Ų78.160%0.60342%0.419SS*.Hα-helixtrans-86.6-8.1-177.7-67175.3167.700113.9K221K221-E225 WeakPolarHBondContact CE-OE1 3.3Å; K221-E225 HydrophobicContact CG-CG 4.45Å; K221-E225 IonicContact NZ-OE1 2.69Å; K221-E225 WeakPolarHBondContact O-CG 3.35Å; K221-E225 PolarHBondContact O-N 2.74Å; K221-E225 VanDerWaalsContact O-N 3.11Å
226S75.6Confident91.3Very high142 Ų14281.3 Ų81.399%0.99342%0.416SS*.  trans-93.80179.364.20000113R222 I223R222-S226 VanDerWaalsContact O-CB 3.31Å; R222-S226 WeakPolarHBondContact O-CB 3.36Å; R222-S226 PolarHBondContact O-N 3.2Å; R222-S226 PolarHBondContact O-OG 3.17Å; I223-S226 PolarHBondContact O-OG 2.85Å; I223-S226 VanDerWaalsContact O-OG 3.12Å

Retrieved 226 of 226 residues in 49 ms (Link to these results)