A0A5K4F1H6_SCHMA Loading...

Protein VAC14 homolog

Scaffold protein component of the PI(3,5)P2 regulatory complex which regulates both the synthesis and turnover of phosphatidylinositol 3,5-bisphosphate (PtdIns(3,5)P2). Pentamerizes into a star-shaped structure and nucleates the assembly of the complex. The pentamer binds a single copy each of PIKFYVE and FIG4 and coordinates both PIKfyve kinase activity and FIG4 phosphatase activity, being required to maintain normal levels of phosphatidylinositol 3-phosphate (PtdIns(3)P) and phosphatidylinositol 5-phosphate (PtdIns(5)P). Plays a role in the biogenesis of endosome carrier vesicles (ECV) / multivesicular bodies (MVB) transport intermediates from early endosomes.

AlphaFold DB , UniProt , Accession A0A5K4F1H6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 939 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
1M51.6Low77.6Confident162 Ų16286.1 Ų86.180%0.79847%0.472SS*.  062.30-90-164.2-88.300105.1R3 V17M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.07Å; M1-V17 HydrophobicContact CE-CG2 4.05Å; M1-V17 HydrophobicContact SD-CG2 4.04Å
2D54.4Low78.7Confident169 Ų16978.9 Ų78.990%0.90443%0.433SS*.  trans-99.911.6-159.4-54.9-9.3000111.6
3R65.4Low79.7Confident157 Ų15773.8 Ų73.859%0.59241%0.406SS*.  trans-82.2126.6170.7-69.4-171.7-177.1-174.91.7108.2M1 Y5 D57M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.07Å; R3-Y5 HydrophobicContact CB-CD2 4.43Å; R3-Y5 HydrophobicContact CB-CE1 4.32Å; R3-Y5 HydrophobicContact CB-CE2 3.9Å; R3-Y5 WeakPolarHBondContact O-CD2 3.34Å; R3-Y5 WeakPolarHBondContact O-CE2 3.32Å; R3-Y5 PolarHBondContact O-N 3.25Å; R3-D57 IonicContact CZ-OD2 3.49Å; R3-D57 IonicContact NH1-OD1 2.72Å; R3-D57 PolarHBondContact NH1-OD1 3.23Å; R3-D57 IonicContact NH1-OD2 3.11Å; R3-D57 PolarHBondContact NH1-OD2 2.7Å
4D76.2Confident80.5Confident131 Ų13178.6 Ų78.670%0.70142%0.42SS*.  trans-74.4116.8169.1-165.3-5.9000108.5A6D4-A6 PolarHBondContact OD1-N 3.16Å
5Y84.8Confident81.3Confident36 Ų3676.3 Ų76.314%0.14141%0.408CS..  trans-10127.7-179.6-65.8-77000111.6R3 L8 V13 Y53 D57 F58R3-Y5 HydrophobicContact CB-CD2 4.43Å; R3-Y5 HydrophobicContact CB-CE1 4.32Å; R3-Y5 HydrophobicContact CB-CE2 3.9Å; R3-Y5 WeakPolarHBondContact O-CD2 3.34Å; R3-Y5 WeakPolarHBondContact O-CE2 3.32Å; R3-Y5 PolarHBondContact O-N 3.25Å; Y5-L8 WeakPolarHBondContact O-CB 3.14Å; Y5-L8 PolarHBondContact O-N 3.25Å; Y5-V13 HydrophobicContact CD2-CG1 3.68Å; Y5-V13 HydrophobicContact CD2-CG2 4.08Å; Y5-V13 HydrophobicContact CE2-CG1 4.02Å; Y5-V13 HydrophobicContact CG-CG1 4.49Å; Y5-V13 HydrophobicContact CG-CG2 4.23Å; Y5-Y53 AromaticContact CD1-CD1 3.76Å; Y5-Y53 HydrophobicContact CD1-CD1 3.76Å; Y5-Y53 HydrophobicContact CD1-CD2 4Å; Y5-Y53 HydrophobicContact CD1-CE1 4.18Å; Y5-Y53 HydrophobicContact CD1-CE2 4.43Å; Y5-Y53 AromaticContact CD1-CG 3.64Å; Y5-Y53 HydrophobicContact CD1-CG 3.64Å; Y5-Y53 HydrophobicContact CE1-CD1 4.27Å; Y5-Y53 HydrophobicContact CE1-CG 4.35Å; Y5-Y53 VanDerWaalsContact O-CE2 3.31Å; Y5-Y53 WeakPolarHBondContact O-CE2 3.28Å; Y5-D57 HydrophobicContact CE1-CB 4.16Å; Y5-D57 WeakPolarHBondContact CE1-OD2 3.31Å; Y5-F58 HydrophobicContact CD1-CE2 4.37Å; Y5-F58 AromaticContact CE1-CE2 3.98Å; Y5-F58 HydrophobicContact CE1-CE2 3.98Å
6A83.1Confident82Confident42 Ų4271.6 Ų71.635%0.34738%0.383SS..THydrogen-bonded Turntrans-50.2130173.500000111.1D4 Y53D4-A6 PolarHBondContact OD1-N 3.16Å; A6-Y53 WeakPolarHBondContact O-CE2 3.36Å; A6-Y53 PolarHBondContact O-OH 3.29Å
7P83.8Confident82.7Confident33 Ų3368.6 Ų68.621%0.21437%0.368CS..THydrogen-bonded Turncis-91.12.822.436.7-40.9000116.2Y38 I50P7-Y38 HydrophobicContact CB-CE2 3.44Å; P7-Y38 VanDerWaalsContact CB-CE2 3.44Å; P7-Y38 WeakPolarHBondContact CB-OH 3.45Å; P7-Y38 HydrophobicContact CG-CD2 4.22Å; P7-Y38 HydrophobicContact CG-CE2 3.45Å; P7-Y38 VanDerWaalsContact CG-CE2 3.45Å; P7-I50 HydrophobicContact CG-CD1 3.64Å; P7-I50 HydrophobicContact CG-CG1 3.76Å
8L88.6Confident83.3Confident11 Ų1166.6 Ų66.66%0.05836%0.357CS..SBendtrans-72.1139-178.1-60.6176.2000111.2Y5 V13 V31 I50 F54Y5-L8 WeakPolarHBondContact O-CB 3.14Å; Y5-L8 PolarHBondContact O-N 3.25Å; L8-V13 HydrophobicContact CB-CG2 3.99Å; L8-V31 HydrophobicContact CD2-CG2 4.06Å; L8-I50 HydrophobicContact CD1-CG2 4.47Å; L8-I50 HydrophobicContact CD2-CD1 4.44Å; L8-I50 HydrophobicContact CD2-CG1 4.5Å; L8-I50 HydrophobicContact CG-CG1 4.44Å; L8-F54 HydrophobicContact CD1-CE1 4.14Å; L8-F54 HydrophobicContact CD1-CZ 3.7Å
9S89.5Confident83.7Confident38 Ų3871.1 Ų71.127%0.26637%0.373SS..  trans-64.8146.4175.175.10000110.8S11 C12 V13 E30S9-S11 PolarHBondContact O-N 2.91Å; S9-S11 PolarHBondContact OG-OG 2.68Å; S9-C12 VanDerWaalsContact O-CB 3.3Å; S9-C12 WeakPolarHBondContact O-CB 3.46Å; S9-C12 PolarHBondContact O-N 3.23Å; S9-C12 WeakPolarHBondContact OG-CB 3.4Å; S9-C12 PolarHBondContact OG-N 3.38Å; S9-V13 WeakPolarHBondContact O-CG2 3.32Å; S9-V13 PolarHBondContact O-N 3.17Å; S9-V13 VanDerWaalsContact O-N 3.08Å; S9-E30 WeakPolarHBondContact CB-OE1 3.35Å; S9-E30 PolarHBondContact OG-OE1 2.97Å
10S86.3Confident84.1Confident107 Ų10771.8 Ų71.875%0.74838%0.376SS*.Hα-helixtrans-60.1-30.1176.760.40000112.4K14S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 2.67Å
11S89.5Confident84.5Confident61 Ų6172 Ų7243%0.42738%0.375SS..Hα-helixtrans-66.3-42.7171.2440000112.9S9 K14 N15S9-S11 PolarHBondContact O-N 2.91Å; S9-S11 PolarHBondContact OG-OG 2.68Å; S11-K14 PolarHBondContact O-N 3.33Å; S11-N15 WeakPolarHBondContact O-CB 3.33Å; S11-N15 PolarHBondContact O-N 2.81Å; S11-N15 PolarHBondContact O-ND2 3.46Å
12C91.8Very high86.5Confident0 Ų069.6 Ų69.60%037%0.365CS..Hα-helixtrans-59.2-52.2176.5-175.70000110.4S9 K14 N15 L16 E30S9-C12 VanDerWaalsContact O-CB 3.3Å; S9-C12 WeakPolarHBondContact O-CB 3.46Å; S9-C12 PolarHBondContact O-N 3.23Å; S9-C12 WeakPolarHBondContact OG-CB 3.4Å; S9-C12 PolarHBondContact OG-N 3.38Å; C12-K14 VanDerWaalsContact C-N 3.34Å; C12-K14 PolarHBondContact O-N 2.9Å; C12-N15 PolarHBondContact O-N 2.98Å; C12-N15 VanDerWaalsContact O-N 3.12Å; C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 2.82Å; C12-E30 HydrophobicContact CB-CG 4.46Å; C12-E30 WeakPolarHBondContact CB-OE2 3.45Å
13V90.9Very high88.4Confident13 Ų1365.3 Ų65.38%0.07934%0.338CS..Hα-helixtrans-57.2-46.3178.8175.40000111.1Y5 L8 S9 N15 L16 V17 F58Y5-V13 HydrophobicContact CD2-CG1 3.68Å; Y5-V13 HydrophobicContact CD2-CG2 4.08Å; Y5-V13 HydrophobicContact CE2-CG1 4.02Å; Y5-V13 HydrophobicContact CG-CG1 4.49Å; Y5-V13 HydrophobicContact CG-CG2 4.23Å; L8-V13 HydrophobicContact CB-CG2 3.99Å; S9-V13 WeakPolarHBondContact O-CG2 3.32Å; S9-V13 PolarHBondContact O-N 3.17Å; S9-V13 VanDerWaalsContact O-N 3.08Å; V13-N15 VanDerWaalsContact C-N 3.32Å; V13-N15 PolarHBondContact O-N 3.18Å; V13-L16 PolarHBondContact O-N 3.07Å; V13-V17 PolarHBondContact O-N 3.35Å; V13-F58 HydrophobicContact CG1-CZ 4.18Å
14K90.7Very high89.7Confident140 Ų14058.3 Ų58.361%0.60931%0.312SS*.Hα-helixtrans-61.8-39.1178.2-175.4178.3179.6179.10112.3S10 S11 C12 V17 D18S10-K14 WeakPolarHBondContact O-CB 3.4Å; S10-K14 PolarHBondContact O-N 2.67Å; S11-K14 PolarHBondContact O-N 3.33Å; C12-K14 VanDerWaalsContact C-N 3.34Å; C12-K14 PolarHBondContact O-N 2.9Å; K14-V17 WeakPolarHBondContact O-CG2 3.35Å; K14-D18 PolarHBondContact O-N 2.93Å
15N93.7Very high90.4Very high45 Ų4556.8 Ų56.824%0.24130%0.299CS..Hα-helixtrans-75.3-33.6179.9-75.4-20.2000112.5S11 C12 V13 V17 D18 K23 R24 A27S11-N15 WeakPolarHBondContact O-CB 3.33Å; S11-N15 PolarHBondContact O-N 2.81Å; S11-N15 PolarHBondContact O-ND2 3.46Å; C12-N15 PolarHBondContact O-N 2.98Å; C12-N15 VanDerWaalsContact O-N 3.12Å; V13-N15 VanDerWaalsContact C-N 3.32Å; V13-N15 PolarHBondContact O-N 3.18Å; N15-V17 VanDerWaalsContact C-N 3.26Å; N15-V17 PolarHBondContact O-N 3.49Å; N15-D18 WeakPolarHBondContact O-CB 3.49Å; N15-D18 PolarHBondContact O-N 2.98Å; N15-K23 HydrophobicContact CB-CB 4.42Å; N15-R24 WeakPolarHBondContact O-CA 3.37Å; N15-R24 WeakPolarHBondContact O-CG 3.2Å; N15-R24 PolarHBondContact O-N 3.04Å; N15-A27 HydrophobicContact CB-CB 3.58Å
16L92.5Very high90.8Very high0 Ų060 Ų600%032%0.318CS..Hα-helixtrans-62.6-31.4174.9-76.4170.7000112.9C12 V13 R24 A27 V31 F54 F58 G69C12-L16 WeakPolarHBondContact O-CG 3.39Å; C12-L16 PolarHBondContact O-N 2.82Å; V13-L16 PolarHBondContact O-N 3.07Å; L16-R24 WeakPolarHBondContact O-CD 3.36Å; L16-R24 VanDerWaalsContact O-CG 3.29Å; L16-R24 WeakPolarHBondContact O-CG 3.31Å; L16-A27 HydrophobicContact CB-CB 4.47Å; L16-A27 HydrophobicContact CD2-CB 3.81Å; L16-A27 HydrophobicContact CG-CB 3.64Å; L16-V31 HydrophobicContact CD1-CG2 3.99Å; L16-F54 HydrophobicContact CD1-CE1 3.62Å; L16-F54 HydrophobicContact CD1-CZ 3.87Å; L16-F58 HydrophobicContact CB-CE1 3.94Å; L16-F58 HydrophobicContact CD1-CE1 4.34Å; L16-G69 WeakPolarHBondContact O-CA 3.43Å
17V92.6Very high91.4Very high22 Ų2258 Ų5813%0.13330%0.302CS..THydrogen-bonded Turntrans-94.8-0.6179-55.10000113.9M1 V13 K14 N15 F58 T66M1-V17 HydrophobicContact CE-CG2 4.05Å; M1-V17 HydrophobicContact SD-CG2 4.04Å; V13-V17 PolarHBondContact O-N 3.35Å; K14-V17 WeakPolarHBondContact O-CG2 3.35Å; N15-V17 VanDerWaalsContact C-N 3.26Å; N15-V17 PolarHBondContact O-N 3.49Å; V17-F58 HydrophobicContact CG1-CD1 4.28Å; V17-F58 HydrophobicContact CG1-CE1 3.64Å; V17-F58 HydrophobicContact CG1-CZ 4.17Å; V17-T66 HydrophobicContact CG1-CG2 3.93Å
18D93.5Very high91.8Very high31 Ų3157 Ų5717%0.16630%0.295CS..SBendtrans-66.7154.5-178.9-164.3-66.3000110.7K14 N15 L20 K23 R24K14-D18 PolarHBondContact O-N 2.93Å; N15-D18 WeakPolarHBondContact O-CB 3.49Å; N15-D18 PolarHBondContact O-N 2.98Å; D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 WeakPolarHBondContact OD1-CB 2.99Å; D18-L20 PolarHBondContact OD1-N 3.22Å; D18-K23 HydrophobicContact CB-CB 4.09Å; D18-K23 HydrophobicContact CB-CD 3.99Å; D18-K23 WeakPolarHBondContact OD2-CD 3.46Å; D18-K23 IonicContact OD2-NZ 2.7Å; D18-K23 PolarHBondContact OD2-NZ 3.1Å; D18-R24 WeakPolarHBondContact O-CD 3.39Å; D18-R24 PolarHBondContact O-NH1 3.23Å
19K90.9Very high92.1Very high152 Ų15261.1 Ų61.166%0.66131%0.314SS*.SBendtrans-70.5-29.9176.870-178.7-177.3179.20112.7R24K19-R24 PolarHBondContact O-NH1 3.46Å
20L92.9Very high92.3Very high85 Ų8561.5 Ų61.545%0.44531%0.312SS..SBendtrans-76.6129.8-177.6-64.7174.8000110.9D18 D22 K23 R24D18-L20 VanDerWaalsContact C-N 3.34Å; D18-L20 WeakPolarHBondContact OD1-CB 2.99Å; D18-L20 PolarHBondContact OD1-N 3.22Å; L20-D22 PolarHBondContact O-N 2.95Å; L20-K23 HydrophobicContact CB-CB 4.41Å; L20-K23 HydrophobicContact CB-CD 4.34Å; L20-K23 HydrophobicContact CB-CG 4.31Å; L20-K23 HydrophobicContact CD1-CD 4.17Å; L20-K23 PolarHBondContact O-N 3.14Å; L20-R24 PolarHBondContact O-N 3.27Å
21F91.3Very high92.8Very high78 Ų7856.4 Ų56.434%0.34228%0.276SS..Hα-helixtrans-59.7-45.5178.5171.8-93.9000112.1K23 R24 K25 F72 Y110F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.81Å; F21-R24 PolarHBondContact O-N 2.92Å; F21-R24 VanDerWaalsContact O-N 3.11Å; F21-K25 HydrophobicContact CE1-CB 4.49Å; F21-K25 HydrophobicContact CE1-CD 3.94Å; F21-K25 HydrophobicContact CZ-CD 4.31Å; F21-K25 PolarHBondContact O-N 2.64Å; F21-F72 HydrophobicContact CD2-CZ 4.07Å; F21-F72 HydrophobicContact CE2-CE1 4.26Å; F21-F72 AromaticContact CE2-CZ 3.58Å; F21-F72 HydrophobicContact CE2-CZ 3.58Å; F21-F72 HydrophobicContact CZ-CZ 4.36Å; F21-Y110 HydrophobicContact CD2-CE1 4.27Å; F21-Y110 WeakPolarHBondContact CD2-OH 3.31Å; F21-Y110 AromaticContact CE2-CE1 3.99Å; F21-Y110 HydrophobicContact CE2-CE1 3.99Å
22D93.5Very high93.1Very high110 Ų11055.8 Ų55.859%0.58827%0.266SS*.Hα-helixtrans-61.6-37.3-176.4-58.3-49.9000112.6L20 K25 L26L20-D22 PolarHBondContact O-N 2.95Å; D22-K25 PolarHBondContact O-N 3.03Å; D22-L26 VanDerWaalsContact O-CG 3.31Å; D22-L26 WeakPolarHBondContact O-CG 3.5Å; D22-L26 PolarHBondContact O-N 3.21Å
23K94.7Very high93.2Very high80 Ų8063.7 Ų63.735%0.34830%0.296SS..Hα-helixtrans-66.7-42.9175.4-73.3-176.3177.5-175.60112.2N15 D18 L20 F21 K25 L26 A27N15-K23 HydrophobicContact CB-CB 4.42Å; D18-K23 HydrophobicContact CB-CB 4.09Å; D18-K23 HydrophobicContact CB-CD 3.99Å; D18-K23 WeakPolarHBondContact OD2-CD 3.46Å; D18-K23 IonicContact OD2-NZ 2.7Å; D18-K23 PolarHBondContact OD2-NZ 3.1Å; L20-K23 HydrophobicContact CB-CB 4.41Å; L20-K23 HydrophobicContact CB-CD 4.34Å; L20-K23 HydrophobicContact CB-CG 4.31Å; L20-K23 HydrophobicContact CD1-CD 4.17Å; L20-K23 PolarHBondContact O-N 3.14Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.81Å; K23-K25 VanDerWaalsContact C-N 3.31Å; K23-K25 PolarHBondContact O-N 3.18Å; K23-L26 PolarHBondContact O-N 3.08Å; K23-A27 WeakPolarHBondContact O-CB 3.5Å; K23-A27 PolarHBondContact O-N 3.43Å
24R92.4Very high93.4Very high9 Ų964 Ų643%0.03430%0.298CS..Hα-helixtrans-62.2-41.3174.6-66.3-165.4-62.6-85.4-7.1111.1N15 L16 D18 K19 L20 F21 A27 S28 H65N15-R24 WeakPolarHBondContact O-CA 3.37Å; N15-R24 WeakPolarHBondContact O-CG 3.2Å; N15-R24 PolarHBondContact O-N 3.04Å; L16-R24 WeakPolarHBondContact O-CD 3.36Å; L16-R24 VanDerWaalsContact O-CG 3.29Å; L16-R24 WeakPolarHBondContact O-CG 3.31Å; D18-R24 WeakPolarHBondContact O-CD 3.39Å; D18-R24 PolarHBondContact O-NH1 3.23Å; K19-R24 PolarHBondContact O-NH1 3.46Å; L20-R24 PolarHBondContact O-N 3.27Å; F21-R24 PolarHBondContact O-N 2.92Å; F21-R24 VanDerWaalsContact O-N 3.11Å; R24-A27 PolarHBondContact O-N 3.5Å; R24-S28 WeakPolarHBondContact O-CB 3.22Å; R24-S28 PolarHBondContact O-N 3.05Å; R24-H65 PolarHBondContact NH1-ND1 2.93Å
25K92.1Very high93.7Very high99 Ų9957.3 Ų57.343%0.4327%0.269SS..Hα-helixtrans-62-47.8176.3-173.2175.2-179.2177.30112.1F21 D22 K23 A27 S28 Q29 F72F21-K25 HydrophobicContact CE1-CB 4.49Å; F21-K25 HydrophobicContact CE1-CD 3.94Å; F21-K25 HydrophobicContact CZ-CD 4.31Å; F21-K25 PolarHBondContact O-N 2.64Å; D22-K25 PolarHBondContact O-N 3.03Å; K23-K25 VanDerWaalsContact C-N 3.31Å; K23-K25 PolarHBondContact O-N 3.18Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 2.93Å; K25-S28 WeakPolarHBondContact CA-OG 3.49Å; K25-S28 PolarHBondContact O-N 2.91Å; K25-S28 PolarHBondContact O-OG 3.26Å; K25-Q29 WeakPolarHBondContact O-CG 3.49Å; K25-Q29 PolarHBondContact O-N 3.22Å; K25-Q29 VanDerWaalsContact O-N 3.09Å; K25-F72 HydrophobicContact CB-CE1 4.39Å
26L93.4Very high93.7Very high105 Ų10559.8 Ų59.855%0.5528%0.278SS..Hα-helixtrans-59.1-43.1175.6-73.6170.7000112D22 K23 S28 Q29 E30D22-L26 VanDerWaalsContact O-CG 3.31Å; D22-L26 WeakPolarHBondContact O-CG 3.5Å; D22-L26 PolarHBondContact O-N 3.21Å; K23-L26 PolarHBondContact O-N 3.08Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3Å; L26-Q29 PolarHBondContact O-N 3.14Å; L26-E30 PolarHBondContact O-N 3.39Å; L26-E30 VanDerWaalsContact O-N 3.15Å
27A94.1Very high93.8Very high0 Ų063.3 Ų63.30%030%0.297CS..Hα-helixtrans-67.8-35.417800000112.6N15 L16 K23 R24 K25 Q29 E30 V31N15-A27 HydrophobicContact CB-CB 3.58Å; L16-A27 HydrophobicContact CB-CB 4.47Å; L16-A27 HydrophobicContact CD2-CB 3.81Å; L16-A27 HydrophobicContact CG-CB 3.64Å; K23-A27 WeakPolarHBondContact O-CB 3.5Å; K23-A27 PolarHBondContact O-N 3.43Å; R24-A27 PolarHBondContact O-N 3.5Å; K25-A27 VanDerWaalsContact C-N 3.32Å; K25-A27 PolarHBondContact O-N 2.93Å; A27-Q29 VanDerWaalsContact C-N 3.32Å; A27-Q29 PolarHBondContact O-N 3Å; A27-E30 WeakPolarHBondContact O-CB 3.18Å; A27-E30 PolarHBondContact O-N 2.91Å; A27-E30 VanDerWaalsContact O-N 3.12Å; A27-V31 WeakPolarHBondContact O-CG2 3.48Å; A27-V31 PolarHBondContact O-N 3.41Å
28S92.9Very high93.9Very high10 Ų1064.3 Ų64.37%0.0730%0.298CS..Hα-helixtrans-63.9-37.6175.878.40000112.1R24 K25 L26 E30 V31 E32 S76R24-S28 WeakPolarHBondContact O-CB 3.22Å; R24-S28 PolarHBondContact O-N 3.05Å; K25-S28 WeakPolarHBondContact CA-OG 3.49Å; K25-S28 PolarHBondContact O-N 2.91Å; K25-S28 PolarHBondContact O-OG 3.26Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3Å; S28-E30 VanDerWaalsContact C-N 3.32Å; S28-E30 PolarHBondContact O-N 3.24Å; S28-V31 WeakPolarHBondContact O-CB 3.32Å; S28-V31 PolarHBondContact O-N 3.07Å; S28-E32 PolarHBondContact O-N 2.9Å; S28-S76 VanDerWaalsContact CB-OG 3.22Å; S28-S76 WeakPolarHBondContact CB-OG 3.49Å; S28-S76 WeakPolarHBondContact O-CB 3.45Å; S28-S76 PolarHBondContact O-OG 3.26Å
29Q94.1Very high93.9Very high98 Ų9863.9 Ų63.946%0.45830%0.296SS..Hα-helixtrans-67-32.6172.1-67.7172.9-29.300112.3K25 L26 A27 R33K25-Q29 WeakPolarHBondContact O-CG 3.49Å; K25-Q29 PolarHBondContact O-N 3.22Å; K25-Q29 VanDerWaalsContact O-N 3.09Å; L26-Q29 PolarHBondContact O-N 3.14Å; A27-Q29 VanDerWaalsContact C-N 3.32Å; A27-Q29 PolarHBondContact O-N 3Å; Q29-R33 PolarHBondContact O-N 2.95Å; Q29-R33 VanDerWaalsContact O-N 3.09Å
30E94.9Very high93.9Very high46 Ų4660.8 Ų60.822%0.21529%0.293CS..Hα-helixtrans-66.2-43.4171.7-171.4-176.6162.800111.3S9 C12 L26 A27 S28 R33 V34S9-E30 WeakPolarHBondContact CB-OE1 3.35Å; S9-E30 PolarHBondContact OG-OE1 2.97Å; C12-E30 HydrophobicContact CB-CG 4.46Å; C12-E30 WeakPolarHBondContact CB-OE2 3.45Å; L26-E30 PolarHBondContact O-N 3.39Å; L26-E30 VanDerWaalsContact O-N 3.15Å; A27-E30 WeakPolarHBondContact O-CB 3.18Å; A27-E30 PolarHBondContact O-N 2.91Å; A27-E30 VanDerWaalsContact O-N 3.12Å; S28-E30 VanDerWaalsContact C-N 3.32Å; S28-E30 PolarHBondContact O-N 3.24Å; E30-R33 PolarHBondContact O-N 3.37Å; E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 2.93Å
31V96.1Very high94Very high0 Ų060.7 Ų60.70%029%0.291CS..Hα-helixtrans-58.4-47.9173.9174.40000110.6L8 L16 A27 S28 R33 V34 V35 I50 F54 V77L8-V31 HydrophobicContact CD2-CG2 4.06Å; L16-V31 HydrophobicContact CD1-CG2 3.99Å; A27-V31 WeakPolarHBondContact O-CG2 3.48Å; A27-V31 PolarHBondContact O-N 3.41Å; S28-V31 WeakPolarHBondContact O-CB 3.32Å; S28-V31 PolarHBondContact O-N 3.07Å; V31-R33 VanDerWaalsContact C-N 3.31Å; V31-R33 PolarHBondContact O-N 3.28Å; V31-V34 PolarHBondContact O-N 3.24Å; V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 2.96Å; V31-I50 HydrophobicContact CG1-CG2 4.48Å; V31-F54 HydrophobicContact CG1-CE2 3.82Å; V31-F54 HydrophobicContact CG1-CZ 4.1Å; V31-F54 HydrophobicContact CG2-CE2 4.41Å; V31-F54 HydrophobicContact CG2-CZ 3.85Å; V31-V77 HydrophobicContact CG1-CG2 3.9Å
32E95.5Very high94Very high48 Ų4863.4 Ų63.422%0.22431%0.309CS..Hα-helixtrans-54.2-47.6176.8-173.8-165.9143.400111.4S28 V35 K36 I79S28-E32 PolarHBondContact O-N 2.9Å; E32-V35 PolarHBondContact O-N 3.19Å; E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.12Å; E32-K36 WeakPolarHBondContact OE1-CE 3.41Å; E32-K36 IonicContact OE1-NZ 3.18Å; E32-K36 PolarHBondContact OE1-NZ 3.46Å; E32-I79 HydrophobicContact CG-CB 4.46Å; E32-I79 HydrophobicContact CG-CG2 4Å
33R95.3Very high93.9Very high166 Ų16661.8 Ų61.863%0.62630%0.297SS*.Hα-helixtrans-63.7-41.8178.3-174.9-17664.2101.13.4112.5Q29 E30 V31 K36 D37Q29-R33 PolarHBondContact O-N 2.95Å; Q29-R33 VanDerWaalsContact O-N 3.09Å; E30-R33 PolarHBondContact O-N 3.37Å; V31-R33 VanDerWaalsContact C-N 3.31Å; V31-R33 PolarHBondContact O-N 3.28Å; R33-K36 PolarHBondContact O-N 3.09Å; R33-D37 PolarHBondContact O-N 3.48Å
34V94.9Very high93.9Very high20 Ų2061.3 Ų61.312%0.12130%0.297CS..Hα-helixtrans-64.3-43.8177.8169.70000110.7E30 V31 D37 Y38 I50E30-V34 WeakPolarHBondContact O-CG2 3.39Å; E30-V34 PolarHBondContact O-N 2.93Å; V31-V34 PolarHBondContact O-N 3.24Å; V34-D37 PolarHBondContact O-N 2.94Å; V34-Y38 HydrophobicContact CG1-CD1 4.38Å; V34-Y38 HydrophobicContact CG1-CE1 4.3Å; V34-Y38 HydrophobicContact CG1-CE2 4.48Å; V34-Y38 HydrophobicContact CG1-CG 4.49Å; V34-Y38 WeakPolarHBondContact O-CB 3.49Å; V34-Y38 WeakPolarHBondContact O-CD1 3.26Å; V34-Y38 PolarHBondContact O-N 2.89Å; V34-I50 HydrophobicContact CG1-CD1 4.14Å
35V96Very high93.8Very high0 Ų064.5 Ų64.50%032%0.321CS..Hα-helixtrans-65.2-42178.7172.70000111.1V31 E32 D37 Y38 I39 I50 V77 L81V31-V35 HydrophobicContact CG1-CG2 4.25Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.27Å; V31-V35 PolarHBondContact O-N 2.96Å; E32-V35 PolarHBondContact O-N 3.19Å; V35-D37 PolarHBondContact O-N 3.15Å; V35-Y38 PolarHBondContact O-N 3.42Å; V35-I39 WeakPolarHBondContact O-CG2 3.4Å; V35-I39 PolarHBondContact O-N 3.22Å; V35-I50 HydrophobicContact CG2-CD1 4.23Å; V35-V77 HydrophobicContact CG1-CG1 4.31Å; V35-V77 HydrophobicContact CG2-CB 4.36Å; V35-V77 HydrophobicContact CG2-CG1 4.32Å; V35-V77 HydrophobicContact CG2-CG2 3.93Å; V35-L81 HydrophobicContact CG1-CD2 3.88Å; V35-L81 HydrophobicContact CG1-CG 3.74Å
36K94.8Very high93.9Very high96 Ų9661.3 Ų61.342%0.41731%0.309SS..Hα-helixtrans-58.8-42.7174-78.6174.7174176.80113.1E32 R33 Y38 I39 S40 G80E32-K36 HydrophobicContact CG-CD 4.31Å; E32-K36 WeakPolarHBondContact O-CB 3.31Å; E32-K36 WeakPolarHBondContact O-CG 3.35Å; E32-K36 PolarHBondContact O-N 3.12Å; E32-K36 WeakPolarHBondContact OE1-CE 3.41Å; E32-K36 IonicContact OE1-NZ 3.18Å; E32-K36 PolarHBondContact OE1-NZ 3.46Å; R33-K36 PolarHBondContact O-N 3.09Å; K36-Y38 VanDerWaalsContact C-N 3.34Å; K36-I39 VanDerWaalsContact O-CG2 3.32Å; K36-I39 WeakPolarHBondContact O-CG2 3.3Å; K36-S40 PolarHBondContact O-N 3.2Å; K36-G80 WeakPolarHBondContact CG-O 3.27Å
37D94.8Very high93.9Very high75 Ų7556.3 Ų56.340%0.40128%0.283SS..Hα-helixtrans-65.8-40.7176-175.148.9000111R33 V34 V35 S40 Q41R33-D37 PolarHBondContact O-N 3.48Å; V34-D37 PolarHBondContact O-N 2.94Å; V35-D37 PolarHBondContact O-N 3.15Å; D37-S40 PolarHBondContact O-N 3.48Å; D37-S40 PolarHBondContact O-OG 3.43Å; D37-Q41 WeakPolarHBondContact O-CG 3.29Å; D37-Q41 PolarHBondContact O-N 2.87Å; D37-Q41 PolarHBondContact OD1-NE2 2.76Å; D37-Q41 PolarHBondContact OD2-NE2 2.87Å
38Y93.7Very high94Very high43 Ų4359.1 Ų59.117%0.16930%0.302CS..Hα-helixtrans-76.7-34.5-173.4-8126000113.1P7 V34 V35 K36 S40 Q41 D42 K43 D46P7-Y38 HydrophobicContact CB-CE2 3.44Å; P7-Y38 VanDerWaalsContact CB-CE2 3.44Å; P7-Y38 WeakPolarHBondContact CB-OH 3.45Å; P7-Y38 HydrophobicContact CG-CD2 4.22Å; P7-Y38 HydrophobicContact CG-CE2 3.45Å; P7-Y38 VanDerWaalsContact CG-CE2 3.45Å; V34-Y38 HydrophobicContact CG1-CD1 4.38Å; V34-Y38 HydrophobicContact CG1-CE1 4.3Å; V34-Y38 HydrophobicContact CG1-CE2 4.48Å; V34-Y38 HydrophobicContact CG1-CG 4.49Å; V34-Y38 WeakPolarHBondContact O-CB 3.49Å; V34-Y38 WeakPolarHBondContact O-CD1 3.26Å; V34-Y38 PolarHBondContact O-N 2.89Å; V35-Y38 PolarHBondContact O-N 3.42Å; K36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-S40 VanDerWaalsContact C-N 3.32Å; Y38-Q41 CarbonylContact O-C 3.35Å; Y38-Q41 PolarHBondContact O-N 3.45Å; Y38-D42 PolarHBondContact O-N 3.24Å; Y38-K43 HydrophobicContact CD2-CB 4.3Å; Y38-K43 HydrophobicContact CD2-CD 4.4Å; Y38-K43 HydrophobicContact CG-CB 4.39Å; Y38-K43 HydrophobicContact CG-CD 4.38Å; Y38-K43 PolarHBondContact O-N 2.92Å; Y38-D46 HydrophobicContact CD2-CB 3.59Å; Y38-D46 HydrophobicContact CE2-CB 3.69Å
39I92.9Very high94Very high21 Ų2163.3 Ų63.311%0.10832%0.316CS..Hα-helixtrans-67-38.1173.2-166.263000110.3V35 K36 Q41 D42 L44 I47 L81 D84V35-I39 WeakPolarHBondContact O-CG2 3.4Å; V35-I39 PolarHBondContact O-N 3.22Å; K36-I39 VanDerWaalsContact O-CG2 3.32Å; K36-I39 WeakPolarHBondContact O-CG2 3.3Å; I39-Q41 PolarHBondContact O-N 3.15Å; I39-D42 PolarHBondContact O-N 3.18Å; I39-D42 VanDerWaalsContact O-N 3.07Å; I39-L44 HydrophobicContact CD1-CD2 3.59Å; I39-I47 HydrophobicContact CB-CD1 3.95Å; I39-I47 HydrophobicContact CD1-CD1 3.94Å; I39-L81 HydrophobicContact CB-CD2 4.27Å; I39-L81 HydrophobicContact CD1-CD2 3.99Å; I39-L81 HydrophobicContact CG1-CD2 4.14Å; I39-D84 HydrophobicContact CD1-CB 3.87Å; I39-D84 HydrophobicContact CG1-CB 3.86Å; I39-D84 WeakPolarHBondContact CG1-OD2 3.47Å
40S92.5Very high94.1Very high88 Ų8858.6 Ų58.662%0.61530%0.295SS*.Hα-helixtrans-66.3-16.8174.678.30000114.5K36 D37 Y38K36-S40 PolarHBondContact O-N 3.2Å; D37-S40 PolarHBondContact O-N 3.48Å; D37-S40 PolarHBondContact O-OG 3.43Å; Y38-S40 VanDerWaalsContact C-N 3.32Å
41Q94.2Very high94.1Very high83 Ų8356.6 Ų56.639%0.38829%0.285SS..THydrogen-bonded Turntrans-104.510.1176.7-65.7171.832.400112.5D37 Y38 I39 K43D37-Q41 WeakPolarHBondContact O-CG 3.29Å; D37-Q41 PolarHBondContact O-N 2.87Å; D37-Q41 PolarHBondContact OD1-NE2 2.76Å; D37-Q41 PolarHBondContact OD2-NE2 2.87Å; Y38-Q41 CarbonylContact O-C 3.35Å; Y38-Q41 PolarHBondContact O-N 3.45Å; I39-Q41 PolarHBondContact O-N 3.15Å; Q41-K43 HydrophobicContact CB-CD 4.17Å; Q41-K43 HydrophobicContact CB-CG 4.11Å; Q41-K43 PolarHBondContact O-N 3.44Å; Q41-K43 VanDerWaalsContact O-N 3.16Å; Q41-K43 VanDerWaalsContact OE1-CE 3.24Å
42D90.3Very high94Very high135 Ų13557.3 Ų57.372%0.72229%0.293SS*.THydrogen-bonded Turntrans5527.7-176.8-68.4-41.9000114.7Y38 I39 L44Y38-D42 PolarHBondContact O-N 3.24Å; I39-D42 PolarHBondContact O-N 3.18Å; I39-D42 VanDerWaalsContact O-N 3.07Å; D42-L44 PolarHBondContact O-N 2.9Å
43K93.3Very high94Very high76 Ų7656.8 Ų56.833%0.3329%0.289SS..  trans-84.156.6-179-70.2178.6175.3168.70112.7Y38 Q41 S45 D46 I47Y38-K43 HydrophobicContact CD2-CB 4.3Å; Y38-K43 HydrophobicContact CD2-CD 4.4Å; Y38-K43 HydrophobicContact CG-CB 4.39Å; Y38-K43 HydrophobicContact CG-CD 4.38Å; Y38-K43 PolarHBondContact O-N 2.92Å; Q41-K43 HydrophobicContact CB-CD 4.17Å; Q41-K43 HydrophobicContact CB-CG 4.11Å; Q41-K43 PolarHBondContact O-N 3.44Å; Q41-K43 VanDerWaalsContact O-N 3.16Å; Q41-K43 VanDerWaalsContact OE1-CE 3.24Å; K43-S45 VanDerWaalsContact C-N 3.27Å; K43-S45 PolarHBondContact O-N 3.36Å; K43-D46 HydrophobicContact CB-CB 4.29Å; K43-D46 PolarHBondContact O-N 3.4Å; K43-D46 VanDerWaalsContact O-N 3.1Å; K43-I47 PolarHBondContact O-N 3.06Å
44L92.7Very high94Very high70 Ų7048.9 Ų48.937%0.36626%0.259SS..Hα-helixtrans-59.6-32.8-176-59.4-177.7000113.7I39 D42 D46 I47 S48 L87 F88I39-L44 HydrophobicContact CD1-CD2 3.59Å; D42-L44 PolarHBondContact O-N 2.9Å; L44-D46 VanDerWaalsContact C-N 3.34Å; L44-I47 HydrophobicContact CD2-CD1 4.42Å; L44-I47 PolarHBondContact O-N 2.73Å; L44-S48 WeakPolarHBondContact O-CB 3.45Å; L44-S48 PolarHBondContact O-N 2.78Å; L44-S48 PolarHBondContact O-OG 3.27Å; L44-L87 HydrophobicContact CD2-CD1 4.39Å; L44-F88 HydrophobicContact CB-CZ 4.24Å; L44-F88 HydrophobicContact CD2-CE2 4.05Å; L44-F88 HydrophobicContact CD2-CZ 4.01Å
45S91.3Very high94Very high76 Ų7648.7 Ų48.753%0.53126%0.258SS..Hα-helixtrans-66.6-35.7177.455.30000112.8K43 R49K43-S45 VanDerWaalsContact C-N 3.27Å; K43-S45 PolarHBondContact O-N 3.36Å; S45-R49 PolarHBondContact O-N 3.09Å
46D93.7Very high93.8Very high32 Ų3254.6 Ų54.617%0.17129%0.286CS..Hα-helixtrans-74.2-38.4179.1-65.1-38.8000110.4Y38 K43 L44 R49 I50Y38-D46 HydrophobicContact CD2-CB 3.59Å; Y38-D46 HydrophobicContact CE2-CB 3.69Å; K43-D46 HydrophobicContact CB-CB 4.29Å; K43-D46 PolarHBondContact O-N 3.4Å; K43-D46 VanDerWaalsContact O-N 3.1Å; L44-D46 VanDerWaalsContact C-N 3.34Å; D46-R49 WeakPolarHBondContact O-CB 3.44Å; D46-R49 PolarHBondContact O-N 2.65Å; D46-R49 IonicContact OD1-CZ 2.68Å; D46-R49 IonicContact OD1-NH1 2.68Å; D46-R49 PolarHBondContact OD1-NH1 3.12Å; D46-R49 IonicContact OD1-NH2 2.82Å; D46-R49 PolarHBondContact OD1-NH2 2.98Å; D46-I50 WeakPolarHBondContact O-CG1 3.43Å; D46-I50 PolarHBondContact O-N 2.89Å
47I95Very high93.7Very high0 Ų051.9 Ų51.90%028%0.276CS..Hα-helixtrans-60.4-47.3171.4-64.7165.4000110.6I39 K43 L44 R49 I50 I51 V77 L81 F88I39-I47 HydrophobicContact CB-CD1 3.95Å; I39-I47 HydrophobicContact CD1-CD1 3.94Å; K43-I47 PolarHBondContact O-N 3.06Å; L44-I47 HydrophobicContact CD2-CD1 4.42Å; L44-I47 PolarHBondContact O-N 2.73Å; I47-R49 PolarHBondContact O-N 3.48Å; I47-I50 WeakPolarHBondContact O-CB 3.28Å; I47-I50 PolarHBondContact O-N 3.16Å; I47-I50 VanDerWaalsContact O-N 3.14Å; I47-I51 HydrophobicContact CG2-CD1 3.98Å; I47-I51 WeakPolarHBondContact O-CG1 3.4Å; I47-I51 PolarHBondContact O-N 3.39Å; I47-V77 HydrophobicContact CG2-CG1 4.48Å; I47-L81 HydrophobicContact CD1-CD2 4.08Å; I47-L81 HydrophobicContact CG2-CD1 4.42Å; I47-L81 HydrophobicContact CG2-CD2 4.15Å; I47-F88 HydrophobicContact CB-CZ 4.18Å; I47-F88 HydrophobicContact CG2-CD1 4.46Å; I47-F88 HydrophobicContact CG2-CD2 4.19Å; I47-F88 HydrophobicContact CG2-CE1 4.16Å; I47-F88 HydrophobicContact CG2-CE2 3.84Å; I47-F88 HydrophobicContact CG2-CG 4.48Å; I47-F88 HydrophobicContact CG2-CZ 3.82Å
48S94.4Very high93.7Very high59 Ų5948.4 Ų48.441%0.41326%0.258SS..Hα-helixtrans-56-39.3175-58.40000111.8L44 I51 G52 F88L44-S48 WeakPolarHBondContact O-CB 3.45Å; L44-S48 PolarHBondContact O-N 2.78Å; L44-S48 PolarHBondContact O-OG 3.27Å; S48-I51 PolarHBondContact O-N 3.17Å; S48-G52 PolarHBondContact O-N 3.18Å; S48-F88 WeakPolarHBondContact OG-CE1 3.29Å
49R93.8Very high93.8Very high97 Ų9747.1 Ų47.137%0.36625%0.254SS..Hα-helixtrans-67-44177.3-155.5-174.7-56.4107.79.1111.9S45 D46 I47 I51 G52 Y53S45-R49 PolarHBondContact O-N 3.09Å; D46-R49 WeakPolarHBondContact O-CB 3.44Å; D46-R49 PolarHBondContact O-N 2.65Å; D46-R49 IonicContact OD1-CZ 2.68Å; D46-R49 IonicContact OD1-NH1 2.68Å; D46-R49 PolarHBondContact OD1-NH1 3.12Å; D46-R49 IonicContact OD1-NH2 2.82Å; D46-R49 PolarHBondContact OD1-NH2 2.98Å; I47-R49 PolarHBondContact O-N 3.48Å; R49-I51 PolarHBondContact O-N 2.83Å; R49-G52 WeakPolarHBondContact O-CA 3.31Å; R49-G52 PolarHBondContact O-N 3.02Å; R49-G52 VanDerWaalsContact O-N 3.15Å; R49-Y53 WeakPolarHBondContact CD-OH 3.4Å; R49-Y53 HydrophobicContact CG-CE1 3.88Å; R49-Y53 HydrophobicContact CG-CE2 3.97Å; R49-Y53 VanDerWaalsContact CG-CZ 3.49Å; R49-Y53 WeakPolarHBondContact CG-OH 3.47Å; R49-Y53 WeakPolarHBondContact O-CD2 3.22Å; R49-Y53 VanDerWaalsContact O-CG 3.22Å; R49-Y53 PolarHBondContact O-N 3.21Å
50I95.5Very high93.8Very high0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-58-47.4174.4-66.1168.3000110.7P7 L8 V31 V34 V35 D46 I47 G52 Y53 F54 V77P7-I50 HydrophobicContact CG-CD1 3.64Å; P7-I50 HydrophobicContact CG-CG1 3.76Å; L8-I50 HydrophobicContact CD1-CG2 4.47Å; L8-I50 HydrophobicContact CD2-CD1 4.44Å; L8-I50 HydrophobicContact CD2-CG1 4.5Å; L8-I50 HydrophobicContact CG-CG1 4.44Å; V31-I50 HydrophobicContact CG1-CG2 4.48Å; V34-I50 HydrophobicContact CG1-CD1 4.14Å; V35-I50 HydrophobicContact CG2-CD1 4.23Å; D46-I50 WeakPolarHBondContact O-CG1 3.43Å; D46-I50 PolarHBondContact O-N 2.89Å; I47-I50 WeakPolarHBondContact O-CB 3.28Å; I47-I50 PolarHBondContact O-N 3.16Å; I47-I50 VanDerWaalsContact O-N 3.14Å; I50-G52 VanDerWaalsContact C-N 3.3Å; I50-G52 PolarHBondContact O-N 3.23Å; I50-Y53 WeakPolarHBondContact O-CB 3.27Å; I50-Y53 PolarHBondContact O-N 3.05Å; I50-F54 HydrophobicContact CG2-CD2 3.97Å; I50-F54 HydrophobicContact CG2-CE2 3.39Å; I50-F54 HydrophobicContact CG2-CZ 4.12Å; I50-F54 WeakPolarHBondContact O-CD2 3.21Å; I50-F54 PolarHBondContact O-N 2.98Å; I50-V77 HydrophobicContact CG2-CG2 3.82Å
51I95.9Very high93.9Very high3 Ų350 Ų502%0.01526%0.26CS..Hα-helixtrans-61.2-42.2176.2-64.8165.2000110.5I47 S48 R49 Y53 F54 S55 L74 V77 F88 P91 I92I47-I51 HydrophobicContact CG2-CD1 3.98Å; I47-I51 WeakPolarHBondContact O-CG1 3.4Å; I47-I51 PolarHBondContact O-N 3.39Å; S48-I51 PolarHBondContact O-N 3.17Å; R49-I51 PolarHBondContact O-N 2.83Å; I51-Y53 VanDerWaalsContact C-N 3.33Å; I51-Y53 PolarHBondContact O-N 3.28Å; I51-F54 PolarHBondContact O-N 2.94Å; I51-S55 VanDerWaalsContact O-CB 3.28Å; I51-S55 WeakPolarHBondContact O-CB 3.34Å; I51-S55 PolarHBondContact O-N 3.48Å; I51-S55 PolarHBondContact O-OG 3.29Å; I51-L74 HydrophobicContact CG2-CD2 4.02Å; I51-V77 HydrophobicContact CD1-CG1 3.95Å; I51-V77 HydrophobicContact CG1-CG1 3.7Å; I51-V77 HydrophobicContact CG1-CG2 4.48Å; I51-F88 HydrophobicContact CD1-CB 3.7Å; I51-F88 HydrophobicContact CD1-CD1 3.53Å; I51-F88 HydrophobicContact CD1-CE1 4.33Å; I51-F88 HydrophobicContact CD1-CG 3.7Å; I51-P91 HydrophobicContact CG2-CB 3.7Å; I51-I92 HydrophobicContact CD1-CD1 4.19Å; I51-I92 HydrophobicContact CD1-CG1 4.1Å; I51-I92 HydrophobicContact CG1-CG1 4.31Å; I51-I92 HydrophobicContact CG2-CG1 4.33Å
52G93.9Very high93.8Very high16 Ų1650.7 Ų50.717%0.16528%0.28CS..Hα-helixtrans-54.5-46.117400000112.5S48 R49 I50 F54 S55 Q56S48-G52 PolarHBondContact O-N 3.18Å; R49-G52 WeakPolarHBondContact O-CA 3.31Å; R49-G52 PolarHBondContact O-N 3.02Å; R49-G52 VanDerWaalsContact O-N 3.15Å; I50-G52 VanDerWaalsContact C-N 3.3Å; I50-G52 PolarHBondContact O-N 3.23Å; G52-F54 PolarHBondContact O-N 3.47Å; G52-S55 WeakPolarHBondContact CA-OG 3.01Å; G52-S55 PolarHBondContact O-N 2.83Å; G52-S55 PolarHBondContact O-OG 3.34Å; G52-Q56 VanDerWaalsContact O-CB 3.29Å; G52-Q56 WeakPolarHBondContact O-CB 3.14Å; G52-Q56 PolarHBondContact O-N 3.04Å
53Y94.4Very high93.9Very high37 Ų3747.5 Ų47.515%0.14526%0.263CS..Iπ-helixtrans-59.8-46.3176.7-57.8-34000112.3Y5 A6 R49 I50 I51 D57 F58Y5-Y53 AromaticContact CD1-CD1 3.76Å; Y5-Y53 HydrophobicContact CD1-CD1 3.76Å; Y5-Y53 HydrophobicContact CD1-CD2 4Å; Y5-Y53 HydrophobicContact CD1-CE1 4.18Å; Y5-Y53 HydrophobicContact CD1-CE2 4.43Å; Y5-Y53 AromaticContact CD1-CG 3.64Å; Y5-Y53 HydrophobicContact CD1-CG 3.64Å; Y5-Y53 HydrophobicContact CE1-CD1 4.27Å; Y5-Y53 HydrophobicContact CE1-CG 4.35Å; Y5-Y53 VanDerWaalsContact O-CE2 3.31Å; Y5-Y53 WeakPolarHBondContact O-CE2 3.28Å; A6-Y53 WeakPolarHBondContact O-CE2 3.36Å; A6-Y53 PolarHBondContact O-OH 3.29Å; R49-Y53 WeakPolarHBondContact CD-OH 3.4Å; R49-Y53 HydrophobicContact CG-CE1 3.88Å; R49-Y53 HydrophobicContact CG-CE2 3.97Å; R49-Y53 VanDerWaalsContact CG-CZ 3.49Å; R49-Y53 WeakPolarHBondContact CG-OH 3.47Å; R49-Y53 WeakPolarHBondContact O-CD2 3.22Å; R49-Y53 VanDerWaalsContact O-CG 3.22Å; R49-Y53 PolarHBondContact O-N 3.21Å; I50-Y53 WeakPolarHBondContact O-CB 3.27Å; I50-Y53 PolarHBondContact O-N 3.05Å; I51-Y53 VanDerWaalsContact C-N 3.33Å; I51-Y53 PolarHBondContact O-N 3.28Å; Y53-D57 WeakPolarHBondContact O-CA 3.44Å; Y53-D57 VanDerWaalsContact O-CB 3.31Å; Y53-D57 WeakPolarHBondContact O-CB 3.46Å; Y53-D57 PolarHBondContact O-N 3.21Å; Y53-D57 VanDerWaalsContact O-N 3.08Å; Y53-F58 WeakPolarHBondContact O-CD2 3.23Å; Y53-F58 PolarHBondContact O-N 3.36Å
54F96Very high94Very high0 Ų045.5 Ų45.50%026%0.258CS..Iπ-helixtrans-70.9-40.3-179.5-61-43.2000112.8L8 L16 V31 I50 I51 G52 F58 I59 G73 L74 V77L8-F54 HydrophobicContact CD1-CE1 4.14Å; L8-F54 HydrophobicContact CD1-CZ 3.7Å; L16-F54 HydrophobicContact CD1-CE1 3.62Å; L16-F54 HydrophobicContact CD1-CZ 3.87Å; V31-F54 HydrophobicContact CG1-CE2 3.82Å; V31-F54 HydrophobicContact CG1-CZ 4.1Å; V31-F54 HydrophobicContact CG2-CE2 4.41Å; V31-F54 HydrophobicContact CG2-CZ 3.85Å; I50-F54 HydrophobicContact CG2-CD2 3.97Å; I50-F54 HydrophobicContact CG2-CE2 3.39Å; I50-F54 HydrophobicContact CG2-CZ 4.12Å; I50-F54 WeakPolarHBondContact O-CD2 3.21Å; I50-F54 PolarHBondContact O-N 2.98Å; I51-F54 PolarHBondContact O-N 2.94Å; G52-F54 PolarHBondContact O-N 3.47Å; F54-F58 HydrophobicContact CD1-CB 4.49Å; F54-F58 HydrophobicContact CD1-CD1 4.16Å; F54-F58 HydrophobicContact CD1-CD2 4.21Å; F54-F58 HydrophobicContact CD1-CE1 4.42Å; F54-F58 HydrophobicContact CD1-CE2 4.47Å; F54-F58 HydrophobicContact CD1-CG 4.04Å; F54-F58 HydrophobicContact CE1-CD1 4.49Å; F54-F58 HydrophobicContact CE1-CE1 4.33Å; F54-F58 HydrophobicContact CE1-CZ 4.37Å; F54-I59 WeakPolarHBondContact O-CB 3.29Å; F54-I59 WeakPolarHBondContact O-CG1 3.22Å; F54-I59 PolarHBondContact O-N 2.86Å; F54-G73 VanDerWaalsContact CE2-CA 3.49Å; F54-L74 HydrophobicContact CB-CD2 3.71Å; F54-L74 HydrophobicContact CB-CG 3.74Å; F54-L74 HydrophobicContact CD2-CD2 4.39Å; F54-V77 HydrophobicContact CD2-CG2 4.11Å; F54-V77 HydrophobicContact CE2-CG2 3.93Å
55S94.4Very high94.1Very high15 Ų1544.5 Ų44.511%0.10525%0.251CS..Iπ-helixtrans-75.1-40.1-176.4600000114.1I51 G52 P95I51-S55 VanDerWaalsContact O-CB 3.28Å; I51-S55 WeakPolarHBondContact O-CB 3.34Å; I51-S55 PolarHBondContact O-N 3.48Å; I51-S55 PolarHBondContact O-OG 3.29Å; G52-S55 WeakPolarHBondContact CA-OG 3.01Å; G52-S55 PolarHBondContact O-N 2.83Å; G52-S55 PolarHBondContact O-OG 3.34Å; S55-P95 VanDerWaalsContact CB-CG 3.42Å
56Q92.8Very high94.3Very high124 Ų12441.9 Ų41.958%0.57923%0.232SC*.Iπ-helixtrans-98.2-37.2-173.8-58.7179.75.100112.4G52 Q60G52-Q56 VanDerWaalsContact O-CB 3.29Å; G52-Q56 WeakPolarHBondContact O-CB 3.14Å; G52-Q56 PolarHBondContact O-N 3.04Å; Q56-Q60 WeakPolarHBondContact O-CB 3.28Å; Q56-Q60 VanDerWaalsContact O-CD 3.3Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q56-Q60 PolarHBondContact O-OE1 3.45Å
57D93.3Very high94.5Very high39 Ų3941.8 Ų41.821%0.20923%0.229CC..Iπ-helixtrans-98.7-48.6-174.7-67-5.4000112R3 Y5 Y53 S61R3-D57 IonicContact CZ-OD2 3.49Å; R3-D57 IonicContact NH1-OD1 2.72Å; R3-D57 PolarHBondContact NH1-OD1 3.23Å; R3-D57 IonicContact NH1-OD2 3.11Å; R3-D57 PolarHBondContact NH1-OD2 2.7Å; Y5-D57 HydrophobicContact CE1-CB 4.16Å; Y5-D57 WeakPolarHBondContact CE1-OD2 3.31Å; Y53-D57 WeakPolarHBondContact O-CA 3.44Å; Y53-D57 VanDerWaalsContact O-CB 3.31Å; Y53-D57 WeakPolarHBondContact O-CB 3.46Å; Y53-D57 PolarHBondContact O-N 3.21Å; Y53-D57 VanDerWaalsContact O-N 3.08Å; D57-S61 PolarHBondContact O-N 2.94Å
58F94.9Very high94.5Very high3 Ų342 Ų421%0.01323%0.23CC..Iπ-helixtrans-76.6-49.9-173.6-78.8-127000112.2Y5 V13 L16 V17 Y53 F54 Q60 S61 T66 R67Y5-F58 HydrophobicContact CD1-CE2 4.37Å; Y5-F58 AromaticContact CE1-CE2 3.98Å; Y5-F58 HydrophobicContact CE1-CE2 3.98Å; V13-F58 HydrophobicContact CG1-CZ 4.18Å; L16-F58 HydrophobicContact CB-CE1 3.94Å; L16-F58 HydrophobicContact CD1-CE1 4.34Å; V17-F58 HydrophobicContact CG1-CD1 4.28Å; V17-F58 HydrophobicContact CG1-CE1 3.64Å; V17-F58 HydrophobicContact CG1-CZ 4.17Å; Y53-F58 WeakPolarHBondContact O-CD2 3.23Å; Y53-F58 PolarHBondContact O-N 3.36Å; F54-F58 HydrophobicContact CD1-CB 4.49Å; F54-F58 HydrophobicContact CD1-CD1 4.16Å; F54-F58 HydrophobicContact CD1-CD2 4.21Å; F54-F58 HydrophobicContact CD1-CE1 4.42Å; F54-F58 HydrophobicContact CD1-CE2 4.47Å; F54-F58 HydrophobicContact CD1-CG 4.04Å; F54-F58 HydrophobicContact CE1-CD1 4.49Å; F54-F58 HydrophobicContact CE1-CE1 4.33Å; F54-F58 HydrophobicContact CE1-CZ 4.37Å; F58-Q60 VanDerWaalsContact C-N 3.27Å; F58-Q60 PolarHBondContact O-N 3.48Å; F58-S61 WeakPolarHBondContact O-CB 2.98Å; F58-S61 PolarHBondContact O-N 3.09Å; F58-S61 VanDerWaalsContact O-N 3.17Å; F58-T66 HydrophobicContact CB-CG2 4.13Å; F58-T66 HydrophobicContact CD1-CG2 3.89Å; F58-T66 WeakPolarHBondContact CD1-O 3.27Å; F58-T66 HydrophobicContact CE1-CG2 4.5Å; F58-T66 HydrophobicContact CG-CG2 3.98Å; F58-R67 WeakPolarHBondContact O-CA 3.47Å; F58-R67 WeakPolarHBondContact O-CG 3.45Å
59I94.9Very high94.5Very high16 Ų1639.1 Ų39.18%0.08221%0.21CC..THydrogen-bonded Turntrans-65.1-31.4-178.3-78.9175.8000112.2F54 S61 R67 L71 L74 P95 T99F54-I59 WeakPolarHBondContact O-CB 3.29Å; F54-I59 WeakPolarHBondContact O-CG1 3.22Å; F54-I59 PolarHBondContact O-N 2.86Å; I59-S61 VanDerWaalsContact C-N 3.32Å; I59-R67 WeakPolarHBondContact O-CD 3.36Å; I59-R67 WeakPolarHBondContact O-CG 3.4Å; I59-L71 HydrophobicContact CD1-CD2 4.35Å; I59-L74 HydrophobicContact CD1-CD1 3.4Å; I59-L74 HydrophobicContact CD1-CG 4.49Å; I59-P95 HydrophobicContact CD1-CB 3.52Å; I59-T99 HydrophobicContact CB-CG2 4.47Å; I59-T99 HydrophobicContact CD1-CG2 4.29Å; I59-T99 HydrophobicContact CG1-CG2 4.14Å; I59-T99 HydrophobicContact CG2-CG2 3.67Å
60Q92.5Very high94.6Very high138 Ų13834.5 Ų34.565%0.64519%0.193SC*.THydrogen-bonded Turntrans-85.8-1.9178.2-55.4-170.5-2.700113.5Q56 F58Q56-Q60 WeakPolarHBondContact O-CB 3.28Å; Q56-Q60 VanDerWaalsContact O-CD 3.3Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q56-Q60 PolarHBondContact O-OE1 3.45Å; F58-Q60 VanDerWaalsContact C-N 3.27Å; F58-Q60 PolarHBondContact O-N 3.48Å
61S94.1Very high94.8Very high30 Ų3034.6 Ų34.621%0.2119%0.193CC..  trans-64.5141.4179.5175.50000112.4D57 F58 I59 N63 T66 R67D57-S61 PolarHBondContact O-N 2.94Å; F58-S61 WeakPolarHBondContact O-CB 2.98Å; F58-S61 PolarHBondContact O-N 3.09Å; F58-S61 VanDerWaalsContact O-N 3.17Å; I59-S61 VanDerWaalsContact C-N 3.32Å; S61-N63 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact OG-N 3.41Å; S61-N63 VanDerWaalsContact OG-N 3.15Å; S61-T66 WeakPolarHBondContact OG-CB 3.47Å; S61-R67 WeakPolarHBondContact O-CD 3.12Å; S61-R67 VanDerWaalsContact O-CG 3.24Å; S61-R67 WeakPolarHBondContact O-CG 3.42Å; S61-R67 PolarHBondContact O-NH1 3.21Å
62A92.6Very high94.7Very high98 Ų9835.8 Ų35.881%0.8120%0.198SC*.SBendtrans-64.5-26.1171.900000113.1P64 R67A62-P64 WeakPolarHBondContact O-CD 3.34Å; A62-R67 PolarHBondContact O-NH1 3.49Å
63N93.7Very high94.8Very high68 Ų6835 Ų3536%0.36419%0.19SC..SBendtrans-80.6119.3-179.8178.33.3000111.3S61 H65 T66 R67S61-N63 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact OG-N 3.41Å; S61-N63 VanDerWaalsContact OG-N 3.15Å; N63-H65 PolarHBondContact O-N 2.63Å; N63-H65 PolarHBondContact OD1-N 3.12Å; N63-T66 PolarHBondContact ND2-OG1 3.4Å; N63-T66 WeakPolarHBondContact O-CB 3.36Å; N63-T66 PolarHBondContact O-N 3.14Å; N63-T66 VanDerWaalsContact O-N 3.08Å; N63-R67 PolarHBondContact O-N 3.49Å; N63-R67 VanDerWaalsContact O-N 3.16Å
64P95.1Very high95Very high35 Ų3533.2 Ų33.223%0.22718%0.184CC..Hα-helixtrans-58.4-31.4178.6-22.532.3000113.9A62 R67 K68 D104 V107A62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-R67 PolarHBondContact O-N 2.89Å; P64-K68 WeakPolarHBondContact O-CG 3.34Å; P64-K68 PolarHBondContact O-N 3.28Å; P64-D104 HydrophobicContact CB-CB 4.38Å; P64-D104 WeakPolarHBondContact CB-OD2 3.39Å; P64-V107 HydrophobicContact CB-CG2 3.98Å
65H94.5Very high95Very high49 Ų4933.6 Ų33.623%0.22719%0.186CC..Hα-helixtrans-69.7-36177.9-65.3-69.3000112.4R24 N63 K68 G69R24-H65 PolarHBondContact NH1-ND1 2.93Å; N63-H65 PolarHBondContact O-N 2.63Å; N63-H65 PolarHBondContact OD1-N 3.12Å; H65-K68 PolarHBondContact O-N 2.88Å; H65-G69 PolarHBondContact O-N 3.41Å
66T95.1Very high95.2Very high21 Ų2133.1 Ų33.113%0.12918%0.183CC..Hα-helixtrans-65.1-42.9172.5-53.70000110.7V17 F58 S61 N63 K68 G69 G70V17-T66 HydrophobicContact CG1-CG2 3.93Å; F58-T66 HydrophobicContact CB-CG2 4.13Å; F58-T66 HydrophobicContact CD1-CG2 3.89Å; F58-T66 WeakPolarHBondContact CD1-O 3.27Å; F58-T66 HydrophobicContact CE1-CG2 4.5Å; F58-T66 HydrophobicContact CG-CG2 3.98Å; S61-T66 WeakPolarHBondContact OG-CB 3.47Å; N63-T66 PolarHBondContact ND2-OG1 3.4Å; N63-T66 WeakPolarHBondContact O-CB 3.36Å; N63-T66 PolarHBondContact O-N 3.14Å; N63-T66 VanDerWaalsContact O-N 3.08Å; T66-K68 PolarHBondContact O-N 3.01Å; T66-G69 CarbonylContact O-C 3.33Å; T66-G69 WeakPolarHBondContact O-CA 3.49Å; T66-G69 PolarHBondContact O-N 2.89Å; T66-G69 VanDerWaalsContact O-N 3.11Å; T66-G70 PolarHBondContact O-N 3.48Å
67R97.1Very high95.4Very high29 Ų2927.2 Ų27.211%0.10916%0.156CC..Hα-helixtrans-62.7-42176.3-62-164.7-60.9-87.310.6112.4F58 I59 S61 A62 N63 P64 G69 G70 L71 D102 V107F58-R67 WeakPolarHBondContact O-CA 3.47Å; F58-R67 WeakPolarHBondContact O-CG 3.45Å; I59-R67 WeakPolarHBondContact O-CD 3.36Å; I59-R67 WeakPolarHBondContact O-CG 3.4Å; S61-R67 WeakPolarHBondContact O-CD 3.12Å; S61-R67 VanDerWaalsContact O-CG 3.24Å; S61-R67 WeakPolarHBondContact O-CG 3.42Å; S61-R67 PolarHBondContact O-NH1 3.21Å; A62-R67 PolarHBondContact O-NH1 3.49Å; N63-R67 PolarHBondContact O-N 3.49Å; N63-R67 VanDerWaalsContact O-N 3.16Å; P64-R67 PolarHBondContact O-N 2.89Å; R67-G69 VanDerWaalsContact C-N 3.32Å; R67-G69 PolarHBondContact O-N 3.47Å; R67-G70 PolarHBondContact O-N 2.88Å; R67-G70 VanDerWaalsContact O-N 3.1Å; R67-L71 PolarHBondContact O-N 2.99Å; R67-D102 WeakPolarHBondContact CD-OD2 3.28Å; R67-D102 IonicContact CZ-OD1 2.66Å; R67-D102 IonicContact CZ-OD2 3.19Å; R67-D102 VanDerWaalsContact CZ-OD2 3.24Å; R67-D102 IonicContact NE-OD1 2.73Å; R67-D102 IonicContact NE-OD2 2.61Å; R67-D102 PolarHBondContact NE-OD2 3.08Å; R67-D102 IonicContact NH2-OD1 3.57Å; R67-D102 PolarHBondContact NH2-OD1 3.4Å; R67-D102 IonicContact NH2-OD2 3.59Å; R67-D102 PolarHBondContact NH2-OD2 3.18Å; R67-D102 VanDerWaalsContact NH2-OD2 3.14Å; R67-V107 HydrophobicContact CB-CG1 4.28Å
68K95.9Very high95.6Very high4 Ų425.4 Ų25.42%0.01715%0.146CC..Hα-helixtrans-57.5-45.3170.4-68.3167.2-170164.20111.1P64 H65 T66 G70 L71 F72 D104 V107 Y110P64-K68 WeakPolarHBondContact O-CG 3.34Å; P64-K68 PolarHBondContact O-N 3.28Å; H65-K68 PolarHBondContact O-N 2.88Å; T66-K68 PolarHBondContact O-N 3.01Å; K68-G70 VanDerWaalsContact C-N 3.29Å; K68-G70 PolarHBondContact O-N 3.43Å; K68-L71 PolarHBondContact O-N 3.37Å; K68-F72 VanDerWaalsContact O-CD2 3.29Å; K68-F72 WeakPolarHBondContact O-CD2 3.4Å; K68-F72 PolarHBondContact O-N 3.36Å; K68-D104 IonicContact NZ-OD2 3.88Å; K68-D104 PolarHBondContact NZ-OD2 3.35Å; K68-D104 VanDerWaalsContact NZ-OD2 3.1Å; K68-V107 HydrophobicContact CD-CG2 4.47Å; K68-V107 HydrophobicContact CG-CG2 4.03Å; K68-Y110 HydrophobicContact CB-CD2 4.33Å; K68-Y110 HydrophobicContact CD-CD2 3.83Å; K68-Y110 HydrophobicContact CD-CE2 3.85Å; K68-Y110 HydrophobicContact CG-CD2 3.65Å; K68-Y110 HydrophobicContact CG-CE2 4.15Å
69G95.1Very high95.7Very high0 Ų027.9 Ų27.90%016%0.159CC..Hα-helixtrans-57.1-40.6173.300000113.2L16 H65 T66 R67 F72 G73L16-G69 WeakPolarHBondContact O-CA 3.43Å; H65-G69 PolarHBondContact O-N 3.41Å; T66-G69 CarbonylContact O-C 3.33Å; T66-G69 WeakPolarHBondContact O-CA 3.49Å; T66-G69 PolarHBondContact O-N 2.89Å; T66-G69 VanDerWaalsContact O-N 3.11Å; R67-G69 VanDerWaalsContact C-N 3.32Å; R67-G69 PolarHBondContact O-N 3.47Å; G69-F72 PolarHBondContact O-N 3.36Å; G69-G73 PolarHBondContact O-N 3.25Å
70G96.2Very high95.7Very high0 Ų027.3 Ų27.30%016%0.157CC..Hα-helixtrans-62.8-42.9175.400000112.7T66 R67 K68 G73 L74T66-G70 PolarHBondContact O-N 3.48Å; R67-G70 PolarHBondContact O-N 2.88Å; R67-G70 VanDerWaalsContact O-N 3.1Å; K68-G70 VanDerWaalsContact C-N 3.29Å; K68-G70 PolarHBondContact O-N 3.43Å; G70-G73 PolarHBondContact O-N 3.41Å; G70-L74 WeakPolarHBondContact O-CG 3.31Å; G70-L74 PolarHBondContact O-N 3.08Å
71L97.9Very high95.9Very high1 Ų120.9 Ų20.91%0.00513%0.127CC..Hα-helixtrans-64.9-43.7176.5-68.6170000112.7I59 R67 K68 G73 L74 A75 I96 T99 V107 A111 A114I59-L71 HydrophobicContact CD1-CD2 4.35Å; R67-L71 PolarHBondContact O-N 2.99Å; K68-L71 PolarHBondContact O-N 3.37Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.39Å; L71-L74 PolarHBondContact O-N 3.34Å; L71-A75 WeakPolarHBondContact O-CB 3.43Å; L71-A75 PolarHBondContact O-N 3.03Å; L71-I96 HydrophobicContact CD2-CB 4.34Å; L71-I96 HydrophobicContact CD2-CG1 4.02Å; L71-I96 HydrophobicContact CD2-CG2 4.24Å; L71-T99 HydrophobicContact CD1-CG2 4.44Å; L71-T99 HydrophobicContact CD2-CG2 4.02Å; L71-T99 WeakPolarHBondContact CD2-OG1 3.43Å; L71-T99 HydrophobicContact CG-CG2 4.41Å; L71-V107 HydrophobicContact CD1-CG1 3.93Å; L71-A111 HydrophobicContact CD1-CB 4.17Å; L71-A111 HydrophobicContact CD2-CB 4.49Å; L71-A114 HydrophobicContact CB-CB 4.18Å; L71-A114 HydrophobicContact CD2-CB 4.26Å
72F95Very high95.8Very high28 Ų2823.9 Ų23.912%0.12314%0.141CC..Hα-helixtrans-59.7-44172-90.8-107.2000111.6F21 K25 K68 G69 S76 Y110F21-F72 HydrophobicContact CD2-CZ 4.07Å; F21-F72 HydrophobicContact CE2-CE1 4.26Å; F21-F72 AromaticContact CE2-CZ 3.58Å; F21-F72 HydrophobicContact CE2-CZ 3.58Å; F21-F72 HydrophobicContact CZ-CZ 4.36Å; K25-F72 HydrophobicContact CB-CE1 4.39Å; K68-F72 VanDerWaalsContact O-CD2 3.29Å; K68-F72 WeakPolarHBondContact O-CD2 3.4Å; K68-F72 PolarHBondContact O-N 3.36Å; G69-F72 PolarHBondContact O-N 3.36Å; F72-S76 VanDerWaalsContact O-CB 3.28Å; F72-S76 WeakPolarHBondContact O-CB 3.46Å; F72-S76 PolarHBondContact O-N 3.39Å; F72-S76 PolarHBondContact O-OG 2.89Å; F72-Y110 AromaticContact CE2-CD1 3.56Å; F72-Y110 HydrophobicContact CE2-CD1 3.56Å; F72-Y110 AromaticContact CE2-CE1 3.74Å; F72-Y110 HydrophobicContact CE2-CE1 3.74Å; F72-Y110 HydrophobicContact CE2-CG 4.14Å; F72-Y110 HydrophobicContact CZ-CD1 4.18Å; F72-Y110 HydrophobicContact CZ-CE1 4.01Å
73G96.2Very high95.7Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-59.1-53.3177.500000111.9F54 G69 G70 L71 A75 S76 V77F54-G73 VanDerWaalsContact CE2-CA 3.49Å; G69-G73 PolarHBondContact O-N 3.25Å; G70-G73 PolarHBondContact O-N 3.41Å; L71-G73 VanDerWaalsContact C-N 3.31Å; L71-G73 PolarHBondContact O-N 3.39Å; G73-A75 PolarHBondContact O-N 2.8Å; G73-S76 PolarHBondContact O-N 3.1Å; G73-V77 VanDerWaalsContact O-CG2 3.26Å; G73-V77 WeakPolarHBondContact O-CG2 3.26Å; G73-V77 PolarHBondContact O-N 3.49Å
74L97.5Very high95.7Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-61.3-44179.2-72-178.8000113I51 F54 I59 G70 L71 S76 V77 A78 I92 P95 I96I51-L74 HydrophobicContact CG2-CD2 4.02Å; F54-L74 HydrophobicContact CB-CD2 3.71Å; F54-L74 HydrophobicContact CB-CG 3.74Å; F54-L74 HydrophobicContact CD2-CD2 4.39Å; I59-L74 HydrophobicContact CD1-CD1 3.4Å; I59-L74 HydrophobicContact CD1-CG 4.49Å; G70-L74 WeakPolarHBondContact O-CG 3.31Å; G70-L74 PolarHBondContact O-N 3.08Å; L71-L74 PolarHBondContact O-N 3.34Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.31Å; L74-V77 PolarHBondContact O-N 2.85Å; L74-A78 PolarHBondContact O-N 3.1Å; L74-I92 HydrophobicContact CB-CG2 4.34Å; L74-P95 HydrophobicContact CD1-CB 3.92Å; L74-I96 HydrophobicContact CB-CD1 4.16Å; L74-I96 HydrophobicContact CB-CG1 4.32Å; L74-I96 HydrophobicContact CD1-CD1 4.43Å; L74-I96 HydrophobicContact CD1-CG1 3.82Å
75A97.1Very high95.6Very high7 Ų725.4 Ų25.46%0.05813%0.128CC..Hα-helixtrans-62-41.2176.100000111.5L71 G73 A78 I79 A114L71-A75 WeakPolarHBondContact O-CB 3.43Å; L71-A75 PolarHBondContact O-N 3.03Å; G73-A75 PolarHBondContact O-N 2.8Å; A75-A78 PolarHBondContact O-N 3.07Å; A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.95Å; A75-A114 HydrophobicContact CB-CB 4.11Å
76S97.6Very high95.5Very high6 Ų625.4 Ų25.44%0.04213%0.133CC..Hα-helixtrans-70.2-31.6178.2-560000112.9S28 F72 G73 L74 G80S28-S76 VanDerWaalsContact CB-OG 3.22Å; S28-S76 WeakPolarHBondContact CB-OG 3.49Å; S28-S76 WeakPolarHBondContact O-CB 3.45Å; S28-S76 PolarHBondContact O-OG 3.26Å; F72-S76 VanDerWaalsContact O-CB 3.28Å; F72-S76 WeakPolarHBondContact O-CB 3.46Å; F72-S76 PolarHBondContact O-N 3.39Å; F72-S76 PolarHBondContact O-OG 2.89Å; G73-S76 PolarHBondContact O-N 3.1Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.31Å; S76-G80 PolarHBondContact O-N 3.07Å
77V97.7Very high95.3Very high0 Ų029.2 Ų29.20%015%0.152CC..Hα-helixtrans-62.5-48170.21730000109.8V31 V35 I47 I50 I51 F54 G73 L74 I79 G80 L81 I92V31-V77 HydrophobicContact CG1-CG2 3.9Å; V35-V77 HydrophobicContact CG1-CG1 4.31Å; V35-V77 HydrophobicContact CG2-CB 4.36Å; V35-V77 HydrophobicContact CG2-CG1 4.32Å; V35-V77 HydrophobicContact CG2-CG2 3.93Å; I47-V77 HydrophobicContact CG2-CG1 4.48Å; I50-V77 HydrophobicContact CG2-CG2 3.82Å; I51-V77 HydrophobicContact CD1-CG1 3.95Å; I51-V77 HydrophobicContact CG1-CG1 3.7Å; I51-V77 HydrophobicContact CG1-CG2 4.48Å; F54-V77 HydrophobicContact CD2-CG2 4.11Å; F54-V77 HydrophobicContact CE2-CG2 3.93Å; G73-V77 VanDerWaalsContact O-CG2 3.26Å; G73-V77 WeakPolarHBondContact O-CG2 3.26Å; G73-V77 PolarHBondContact O-N 3.49Å; L74-V77 PolarHBondContact O-N 2.85Å; V77-I79 PolarHBondContact O-N 3.03Å; V77-G80 PolarHBondContact O-N 2.87Å; V77-L81 HydrophobicContact CG1-CD1 3.72Å; V77-L81 HydrophobicContact CG1-CG 4.3Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.95Å; V77-I92 HydrophobicContact CG1-CD1 4.05Å
78A97Very high95.2Very high0 Ų028.6 Ų28.60%015%0.15CC..Hα-helixtrans-60.9-45.5177.200000112.4L74 A75 G80 L81 N82 I92 V118 I121L74-A78 PolarHBondContact O-N 3.1Å; A75-A78 PolarHBondContact O-N 3.07Å; A78-G80 VanDerWaalsContact C-N 3.27Å; A78-G80 PolarHBondContact O-N 3.3Å; A78-L81 PolarHBondContact O-N 3.2Å; A78-N82 PolarHBondContact O-N 3.26Å; A78-I92 HydrophobicContact CB-CD1 4.32Å; A78-I92 HydrophobicContact CB-CG2 4.42Å; A78-V118 HydrophobicContact CB-CB 4.43Å; A78-V118 HydrophobicContact CB-CG1 4.47Å; A78-V118 HydrophobicContact CB-CG2 3.76Å; A78-I121 HydrophobicContact CB-CD1 4.21Å
79I96.6Very high95.1Very high55 Ų5530.2 Ų30.228%0.28216%0.158SC..Hα-helixtrans-61.2-37.2175.2-64.4162.8000111.4E32 A75 V77 N117 I121E32-I79 HydrophobicContact CG-CB 4.46Å; E32-I79 HydrophobicContact CG-CG2 4Å; A75-I79 VanDerWaalsContact O-CG1 3.26Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.95Å; V77-I79 PolarHBondContact O-N 3.03Å; I79-N117 HydrophobicContact CD1-CB 4.43Å; I79-I121 VanDerWaalsContact CA-CD1 3.46Å; I79-I121 HydrophobicContact CB-CD1 4.18Å; I79-I121 HydrophobicContact CG1-CD1 3.71Å
80G95.5Very high95Very high4 Ų430.4 Ų30.44%0.04116%0.16CC..Hα-helixtrans-66.9-39.7176.800000113K36 S76 V77 A78K36-G80 WeakPolarHBondContact CG-O 3.27Å; S76-G80 PolarHBondContact O-N 3.07Å; V77-G80 PolarHBondContact O-N 2.87Å; A78-G80 VanDerWaalsContact C-N 3.27Å; A78-G80 PolarHBondContact O-N 3.3Å
81L95.9Very high95Very high3 Ų333.7 Ų33.72%0.01618%0.181CC..Hα-helixtrans-74.6-32.4179.2-70.2167.8000113.1V35 I39 I47 V77 A78 E83 D84 A85 F88 I92V35-L81 HydrophobicContact CG1-CD2 3.88Å; V35-L81 HydrophobicContact CG1-CG 3.74Å; I39-L81 HydrophobicContact CB-CD2 4.27Å; I39-L81 HydrophobicContact CD1-CD2 3.99Å; I39-L81 HydrophobicContact CG1-CD2 4.14Å; I47-L81 HydrophobicContact CD1-CD2 4.08Å; I47-L81 HydrophobicContact CG2-CD1 4.42Å; I47-L81 HydrophobicContact CG2-CD2 4.15Å; V77-L81 HydrophobicContact CG1-CD1 3.72Å; V77-L81 HydrophobicContact CG1-CG 4.3Å; V77-L81 VanDerWaalsContact O-CG 3.27Å; V77-L81 WeakPolarHBondContact O-CG 3.42Å; V77-L81 PolarHBondContact O-N 2.95Å; A78-L81 PolarHBondContact O-N 3.2Å; L81-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact O-N 3.09Å; L81-D84 HydrophobicContact CB-CB 4.43Å; L81-D84 HydrophobicContact CD2-CB 4.32Å; L81-D84 WeakPolarHBondContact O-CB 3.45Å; L81-D84 PolarHBondContact O-N 3.23Å; L81-A85 HydrophobicContact CB-CB 3.99Å; L81-F88 HydrophobicContact CD1-CB 3.97Å; L81-F88 HydrophobicContact CD1-CD2 3.56Å; L81-F88 HydrophobicContact CD1-CE2 4.41Å; L81-F88 HydrophobicContact CD1-CG 4.06Å; L81-F88 HydrophobicContact CD2-CD2 4.02Å; L81-F88 HydrophobicContact CD2-CE2 4.11Å; L81-F88 HydrophobicContact CG-CD2 4.45Å; L81-I92 HydrophobicContact CD1-CD1 4.13Å
82N93.2Very high95Very high94 Ų9433.7 Ų33.750%0.50318%0.181SC..G310 helixtrans51.7-113.8-177.7-167.447.6000111.8A78 D84 A85 I121A78-N82 PolarHBondContact O-N 3.26Å; N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 3Å; N82-A85 WeakPolarHBondContact O-CB 3.46Å; N82-A85 PolarHBondContact O-N 3.12Å; N82-A85 VanDerWaalsContact O-N 3.16Å; N82-I121 WeakPolarHBondContact O-CG2 3.35Å
83E90.2Very high95.1Very high163 Ų16332.3 Ų32.376%0.76218%0.175SC*.G310 helixtrans-64.8-31.6179.5-67.8176-168.400112.6L81 A85 C86L81-E83 PolarHBondContact O-N 3.47Å; L81-E83 VanDerWaalsContact O-N 3.09Å; E83-A85 PolarHBondContact O-N 3.17Å; E83-C86 PolarHBondContact O-SG 3.25Å
84D93Very high95.1Very high69 Ų6935.1 Ų35.137%0.36919%0.19SC..G310 helixtrans-74.4-2.6177.7-61.6-60.6000112.9I39 L81 N82 C86 L87I39-D84 HydrophobicContact CD1-CB 3.87Å; I39-D84 HydrophobicContact CG1-CB 3.86Å; I39-D84 WeakPolarHBondContact CG1-OD2 3.47Å; L81-D84 HydrophobicContact CB-CB 4.43Å; L81-D84 HydrophobicContact CD2-CB 4.32Å; L81-D84 WeakPolarHBondContact O-CB 3.45Å; L81-D84 PolarHBondContact O-N 3.23Å; N82-D84 VanDerWaalsContact C-N 3.29Å; N82-D84 PolarHBondContact O-N 3Å; D84-C86 PolarHBondContact O-N 3Å; D84-C86 VanDerWaalsContact O-N 3.14Å; D84-L87 WeakPolarHBondContact O-CB 3.37Å; D84-L87 PolarHBondContact O-N 3.46Å
85A93.3Very high95Very high0 Ų035.5 Ų35.50%019%0.192CC..G310 helixtrans-62.1-20.817600000112.2L81 N82 E83 L87 F88 H89 I121 T122L81-A85 HydrophobicContact CB-CB 3.99Å; N82-A85 WeakPolarHBondContact O-CB 3.46Å; N82-A85 PolarHBondContact O-N 3.12Å; N82-A85 VanDerWaalsContact O-N 3.16Å; E83-A85 PolarHBondContact O-N 3.17Å; A85-L87 PolarHBondContact O-N 2.88Å; A85-F88 CarbonylContact O-C 3.56Å; A85-F88 PolarHBondContact O-N 3.37Å; A85-H89 PolarHBondContact O-N 3.45Å; A85-I121 HydrophobicContact CB-CG2 3.79Å; A85-T122 HydrophobicContact CB-CG2 3.85Å
86C91.7Very high95.1Very high50 Ų5035.2 Ų35.234%0.33819%0.189SC..G310 helixtrans-59.9-23.2172.7640000113.5E83 D84 F88 H89 E125E83-C86 PolarHBondContact O-SG 3.25Å; D84-C86 PolarHBondContact O-N 3Å; D84-C86 VanDerWaalsContact O-N 3.14Å; C86-F88 VanDerWaalsContact C-N 3.33Å; C86-H89 PolarHBondContact O-CD2 3.03Å; C86-H89 PolarHBondContact O-NE2 3Å; C86-E125 HydrophobicContact CB-CG 3.86Å
87L92.2Very high95.1Very high101 Ų10135.6 Ų35.653%0.52919%0.191SC..G310 helixtrans-78.3-19.6176.7-59.1176.7000112.9L44 D84 A85L44-L87 HydrophobicContact CD2-CD1 4.39Å; D84-L87 WeakPolarHBondContact O-CB 3.37Å; D84-L87 PolarHBondContact O-N 3.46Å; A85-L87 PolarHBondContact O-N 2.88Å
88F94.5Very high94.9Very high16 Ų1643 Ų437%0.0722%0.219CC..THydrogen-bonded Turntrans-127.89.1-168.6-63-74.7000113.8L44 I47 S48 I51 L81 A85 C86 G90 P91 I92L44-F88 HydrophobicContact CB-CZ 4.24Å; L44-F88 HydrophobicContact CD2-CE2 4.05Å; L44-F88 HydrophobicContact CD2-CZ 4.01Å; I47-F88 HydrophobicContact CB-CZ 4.18Å; I47-F88 HydrophobicContact CG2-CD1 4.46Å; I47-F88 HydrophobicContact CG2-CD2 4.19Å; I47-F88 HydrophobicContact CG2-CE1 4.16Å; I47-F88 HydrophobicContact CG2-CE2 3.84Å; I47-F88 HydrophobicContact CG2-CG 4.48Å; I47-F88 HydrophobicContact CG2-CZ 3.82Å; S48-F88 WeakPolarHBondContact OG-CE1 3.29Å; I51-F88 HydrophobicContact CD1-CB 3.7Å; I51-F88 HydrophobicContact CD1-CD1 3.53Å; I51-F88 HydrophobicContact CD1-CE1 4.33Å; I51-F88 HydrophobicContact CD1-CG 3.7Å; L81-F88 HydrophobicContact CD1-CB 3.97Å; L81-F88 HydrophobicContact CD1-CD2 3.56Å; L81-F88 HydrophobicContact CD1-CE2 4.41Å; L81-F88 HydrophobicContact CD1-CG 4.06Å; L81-F88 HydrophobicContact CD2-CD2 4.02Å; L81-F88 HydrophobicContact CD2-CE2 4.11Å; L81-F88 HydrophobicContact CG-CD2 4.45Å; A85-F88 CarbonylContact O-C 3.56Å; A85-F88 PolarHBondContact O-N 3.37Å; C86-F88 VanDerWaalsContact C-N 3.33Å; F88-G90 VanDerWaalsContact C-N 3.33Å; F88-G90 PolarHBondContact O-N 3.17Å; F88-P91 WeakPolarHBondContact O-CD 3.32Å; F88-I92 HydrophobicContact CB-CD1 3.85Å; F88-I92 HydrophobicContact CB-CG1 4.42Å; F88-I92 VanDerWaalsContact O-CG1 3.29Å; F88-I92 WeakPolarHBondContact O-CG1 3.45Å; F88-I92 PolarHBondContact O-N 3.11Å
89H93.6Very high94.9Very high37 Ų3743.2 Ų43.217%0.17122%0.22CC..Hα-helixtrans-53.3-45.1-173.45765.5000113.2A85 C86 I92 I93 T122 E125 Y129A85-H89 PolarHBondContact O-N 3.45Å; C86-H89 PolarHBondContact O-CD2 3.03Å; C86-H89 PolarHBondContact O-NE2 3Å; H89-I92 PolarHBondContact O-N 3.34Å; H89-I93 HydrophobicContact CB-CD1 4.22Å; H89-I93 VanDerWaalsContact O-CB 3.28Å; H89-I93 WeakPolarHBondContact O-CB 3.48Å; H89-I93 VanDerWaalsContact O-CG1 3.22Å; H89-I93 WeakPolarHBondContact O-CG1 3.44Å; H89-I93 PolarHBondContact O-N 3.29Å; H89-T122 HydrophobicContact CB-CG2 4.27Å; H89-E125 HydrophobicContact CB-CB 3.99Å; H89-Y129 AromaticContact CE1-CE2 3.96Å; H89-Y129 PolarHBondContact CE1-OH 3.49Å; H89-Y129 VanDerWaalsContact CE1-OH 3.29Å; H89-Y129 AromaticContact ND1-CE2 3.27Å; H89-Y129 VanDerWaalsContact ND1-CE2 3.27Å; H89-Y129 WeakPolarHBondContact ND1-CE2 3.37Å; H89-Y129 AromaticContact ND1-CZ 3.59Å; H89-Y129 PolarHBondContact ND1-OH 3.47Å
90G94.1Very high94.9Very high4 Ų441.1 Ų41.14%0.04121%0.209CC..Hα-helixtrans-67.7-53.8-176.600000114F88 I92 I93 L94 Y129F88-G90 VanDerWaalsContact C-N 3.33Å; F88-G90 PolarHBondContact O-N 3.17Å; G90-I92 PolarHBondContact O-N 3.37Å; G90-I92 VanDerWaalsContact O-N 3.12Å; G90-I93 PolarHBondContact O-N 3.47Å; G90-L94 PolarHBondContact O-N 3.5Å; G90-L94 VanDerWaalsContact O-N 3.14Å; G90-Y129 WeakPolarHBondContact CA-OH 3.43Å; G90-Y129 PolarHBondContact N-OH 3.37Å
91P95.4Very high94.9Very high70 Ų7046 Ų4646%0.45523%0.231SC..Hα-helixtrans-56-21.8173.3-3037.3000114.9I51 F88 P95I51-P91 HydrophobicContact CG2-CB 3.7Å; F88-P91 WeakPolarHBondContact O-CD 3.32Å; P91-P95 VanDerWaalsContact O-CD 3.27Å; P91-P95 WeakPolarHBondContact O-CD 3.14Å; P91-P95 VanDerWaalsContact O-CG 3.23Å; P91-P95 WeakPolarHBondContact O-CG 3.41Å
92I97.2Very high94.9Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-90.9-50.7176.9-65171.4000111.6I51 L74 V77 A78 L81 F88 H89 G90 P95 I96 V118I51-I92 HydrophobicContact CD1-CD1 4.19Å; I51-I92 HydrophobicContact CD1-CG1 4.1Å; I51-I92 HydrophobicContact CG1-CG1 4.31Å; I51-I92 HydrophobicContact CG2-CG1 4.33Å; L74-I92 HydrophobicContact CB-CG2 4.34Å; V77-I92 HydrophobicContact CG1-CD1 4.05Å; A78-I92 HydrophobicContact CB-CD1 4.32Å; A78-I92 HydrophobicContact CB-CG2 4.42Å; L81-I92 HydrophobicContact CD1-CD1 4.13Å; F88-I92 HydrophobicContact CB-CD1 3.85Å; F88-I92 HydrophobicContact CB-CG1 4.42Å; F88-I92 VanDerWaalsContact O-CG1 3.29Å; F88-I92 WeakPolarHBondContact O-CG1 3.45Å; F88-I92 PolarHBondContact O-N 3.11Å; H89-I92 PolarHBondContact O-N 3.34Å; G90-I92 PolarHBondContact O-N 3.37Å; G90-I92 VanDerWaalsContact O-N 3.12Å; I92-P95 WeakPolarHBondContact O-CD 3.45Å; I92-I96 HydrophobicContact CG2-CD1 4.01Å; I92-I96 WeakPolarHBondContact O-CD1 3.47Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.1Å; I92-V118 HydrophobicContact CG2-CG1 3.99Å; I92-V118 HydrophobicContact CG2-CG2 3.72Å
93I97.4Very high95Very high0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-68.5-48.5-172.5-70.1170.3000111.7H89 G90 I96 I97 V118 Y129 V133H89-I93 HydrophobicContact CB-CD1 4.22Å; H89-I93 VanDerWaalsContact O-CB 3.28Å; H89-I93 WeakPolarHBondContact O-CB 3.48Å; H89-I93 VanDerWaalsContact O-CG1 3.22Å; H89-I93 WeakPolarHBondContact O-CG1 3.44Å; H89-I93 PolarHBondContact O-N 3.29Å; G90-I93 PolarHBondContact O-N 3.47Å; I93-I96 WeakPolarHBondContact O-CB 3.2Å; I93-I96 PolarHBondContact O-N 3.02Å; I93-I96 VanDerWaalsContact O-N 3.12Å; I93-I97 HydrophobicContact CG2-CD1 3.54Å; I93-I97 HydrophobicContact CG2-CG1 4.18Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.23Å; I93-V118 HydrophobicContact CD1-CG1 4.31Å; I93-V118 HydrophobicContact CG1-CG1 3.7Å; I93-Y129 HydrophobicContact CB-CD2 4.4Å; I93-Y129 HydrophobicContact CD1-CD2 3.88Å; I93-Y129 HydrophobicContact CD1-CE2 4.23Å; I93-Y129 HydrophobicContact CG2-CD2 4.18Å; I93-Y129 HydrophobicContact CG2-CG 4.22Å; I93-V133 HydrophobicContact CG2-CG2 4.07Å
94L96.3Very high95.3Very high59 Ų5943 Ų4331%0.30922%0.22SC..Hα-helixtrans-61.5-43.7-173-68.3173.6000113.5G90 I96 I97 R98 Y129G90-L94 PolarHBondContact O-N 3.5Å; G90-L94 VanDerWaalsContact O-N 3.14Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.1Å; L94-I97 PolarHBondContact O-N 3.45Å; L94-R98 WeakPolarHBondContact O-CG 3.48Å; L94-R98 PolarHBondContact O-N 3.41Å; L94-R98 VanDerWaalsContact O-N 3.17Å; L94-Y129 HydrophobicContact CD1-CE1 4.13Å; L94-Y129 HydrophobicContact CD2-CD1 3.81Å; L94-Y129 HydrophobicContact CD2-CE1 4.21Å; L94-Y129 HydrophobicContact CG-CD1 4.14Å; L94-Y129 HydrophobicContact CG-CE1 4.09Å
95P96.6Very high95.4Very high8 Ų841.3 Ų41.35%0.05221%0.213CC..Hα-helixtrans-63.9-36.1174.6-23.635.5000113.4S55 I59 L74 P91 I92 R98 T99S55-P95 VanDerWaalsContact CB-CG 3.42Å; I59-P95 HydrophobicContact CD1-CB 3.52Å; L74-P95 HydrophobicContact CD1-CB 3.92Å; P91-P95 VanDerWaalsContact O-CD 3.27Å; P91-P95 WeakPolarHBondContact O-CD 3.14Å; P91-P95 VanDerWaalsContact O-CG 3.23Å; P91-P95 WeakPolarHBondContact O-CG 3.41Å; I92-P95 WeakPolarHBondContact O-CD 3.45Å; P95-R98 PolarHBondContact O-N 2.87Å; P95-T99 PolarHBondContact O-N 3.11Å
96I98.3Very high95.6Very high0 Ų047.4 Ų47.40%024%0.236CC..Hα-helixtrans-62.4-47.9175.7-65.9168.5000109.7L71 L74 I92 I93 L94 R98 T99 F100 A111 A114 L115 V118L71-I96 HydrophobicContact CD2-CB 4.34Å; L71-I96 HydrophobicContact CD2-CG1 4.02Å; L71-I96 HydrophobicContact CD2-CG2 4.24Å; L74-I96 HydrophobicContact CB-CD1 4.16Å; L74-I96 HydrophobicContact CB-CG1 4.32Å; L74-I96 HydrophobicContact CD1-CD1 4.43Å; L74-I96 HydrophobicContact CD1-CG1 3.82Å; I92-I96 HydrophobicContact CG2-CD1 4.01Å; I92-I96 WeakPolarHBondContact O-CD1 3.47Å; I92-I96 VanDerWaalsContact O-CG1 3.32Å; I92-I96 WeakPolarHBondContact O-CG1 3.1Å; I93-I96 WeakPolarHBondContact O-CB 3.2Å; I93-I96 PolarHBondContact O-N 3.02Å; I93-I96 VanDerWaalsContact O-N 3.12Å; L94-I96 VanDerWaalsContact C-N 3.33Å; L94-I96 PolarHBondContact O-N 3.1Å; I96-R98 VanDerWaalsContact C-N 3.28Å; I96-R98 PolarHBondContact O-N 3.48Å; I96-T99 PolarHBondContact O-N 2.67Å; I96-T99 PolarHBondContact O-OG1 3.17Å; I96-F100 HydrophobicContact CG2-CE2 4.39Å; I96-A111 WeakPolarHBondContact CG2-O 3.46Å; I96-A114 HydrophobicContact CD1-CB 4.14Å; I96-A114 HydrophobicContact CG1-CB 4.4Å; I96-A114 HydrophobicContact CG2-CB 4.2Å; I96-L115 HydrophobicContact CG2-CB 3.87Å; I96-V118 HydrophobicContact CD1-CG2 3.71Å
97I97.3Very high95.8Very high15 Ų1545 Ų458%0.07722%0.22CC..Hα-helixtrans-55.4-41.9177.8-71.1173.8000111.7I93 L94 T99 F100 D132 V133 A136I93-I97 HydrophobicContact CG2-CD1 3.54Å; I93-I97 HydrophobicContact CG2-CG1 4.18Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.23Å; L94-I97 PolarHBondContact O-N 3.45Å; I97-T99 PolarHBondContact O-N 2.92Å; I97-F100 WeakPolarHBondContact O-CB 3.19Å; I97-F100 PolarHBondContact O-N 2.96Å; I97-D132 HydrophobicContact CD1-CB 3.65Å; I97-D132 HydrophobicContact CG2-CB 4.39Å; I97-V133 HydrophobicContact CD1-CG2 3.75Å; I97-A136 HydrophobicContact CG1-CB 4.34Å; I97-A136 HydrophobicContact CG2-CB 4.13Å
98R94.5Very high96.1Very high155 Ų15541.6 Ų41.659%0.58520%0.2SC*.Hα-helixtrans-57.6-33.3177.4-69.7173.1-173.6170.81.3112.9L94 P95 I96 F100 H101L94-R98 WeakPolarHBondContact O-CG 3.48Å; L94-R98 PolarHBondContact O-N 3.41Å; L94-R98 VanDerWaalsContact O-N 3.17Å; P95-R98 PolarHBondContact O-N 2.87Å; I96-R98 VanDerWaalsContact C-N 3.28Å; I96-R98 PolarHBondContact O-N 3.48Å; R98-F100 VanDerWaalsContact C-N 3.25Å; R98-F100 PolarHBondContact O-N 3.16Å; R98-H101 PolarHBondContact O-N 3.46Å
99T96.8Very high96.2Very high4 Ų442.8 Ų42.83%0.02521%0.205CC..G310 helixtrans-75.2-7.9179.665.90000114.6I59 L71 P95 I96 I97 H101 D102 A111I59-T99 HydrophobicContact CB-CG2 4.47Å; I59-T99 HydrophobicContact CD1-CG2 4.29Å; I59-T99 HydrophobicContact CG1-CG2 4.14Å; I59-T99 HydrophobicContact CG2-CG2 3.67Å; L71-T99 HydrophobicContact CD1-CG2 4.44Å; L71-T99 HydrophobicContact CD2-CG2 4.02Å; L71-T99 WeakPolarHBondContact CD2-OG1 3.43Å; L71-T99 HydrophobicContact CG-CG2 4.41Å; P95-T99 PolarHBondContact O-N 3.11Å; I96-T99 PolarHBondContact O-N 2.67Å; I96-T99 PolarHBondContact O-OG1 3.17Å; I97-T99 PolarHBondContact O-N 2.92Å; T99-H101 PolarHBondContact O-N 2.84Å; T99-D102 VanDerWaalsContact O-CB 3.27Å; T99-D102 WeakPolarHBondContact O-CB 3.37Å; T99-D102 PolarHBondContact O-N 3.38Å; T99-D102 VanDerWaalsContact O-N 3.12Å; T99-A111 WeakPolarHBondContact OG1-CB 3.14Å
100F96.8Very high96.4Very high11 Ų1142.7 Ų42.75%0.04820%0.204CC..G310 helixtrans-64.7-18167.1-80.5-108.4000112.3I96 I97 R98 D102 R108 A111 C112 L115 A136I96-F100 HydrophobicContact CG2-CE2 4.39Å; I97-F100 WeakPolarHBondContact O-CB 3.19Å; I97-F100 PolarHBondContact O-N 2.96Å; R98-F100 VanDerWaalsContact C-N 3.25Å; R98-F100 PolarHBondContact O-N 3.16Å; F100-D102 VanDerWaalsContact C-N 3.35Å; F100-R108 WeakPolarHBondContact O-CD 3.42Å; F100-A111 HydrophobicContact CD2-CB 3.83Å; F100-A111 HydrophobicContact CE2-CB 3.81Å; F100-A111 HydrophobicContact CZ-CB 4.5Å; F100-C112 VanDerWaalsContact CE1-SG 3.54Å; F100-C112 HydrophobicContact CZ-CB 4.45Å; F100-L115 HydrophobicContact CE2-CB 4.25Å; F100-L115 HydrophobicContact CE2-CD2 3.82Å; F100-L115 HydrophobicContact CZ-CB 4.31Å; F100-L115 HydrophobicContact CZ-CD2 3.61Å; F100-A136 HydrophobicContact CB-CB 4.36Å; F100-A136 HydrophobicContact CD1-CB 3.92Å; F100-A136 WeakPolarHBondContact CD1-O 3.27Å; F100-A136 HydrophobicContact CD2-CB 3.97Å; F100-A136 HydrophobicContact CE1-CB 4.15Å; F100-A136 WeakPolarHBondContact CE1-O 3.34Å; F100-A136 HydrophobicContact CE2-CB 4.21Å; F100-A136 HydrophobicContact CG-CB 3.82Å; F100-A136 HydrophobicContact CZ-CB 4.29Å
101H94.6Very high96.6Very high108 Ų10842.5 Ų42.550%0.520%0.202SC..G310 helixtrans-92.68.5175.6-61.184000113.1R98 T99R98-H101 PolarHBondContact O-N 3.46Å; T99-H101 PolarHBondContact O-N 2.84Å
102D96.7Very high96.7Very high22 Ų2239.2 Ų39.212%0.11818%0.18CC..  trans-68.2142.6-177.6-156.5-78.8000112.2R67 T99 F100 D104 V107 R108R67-D102 WeakPolarHBondContact CD-OD2 3.28Å; R67-D102 IonicContact CZ-OD1 2.66Å; R67-D102 IonicContact CZ-OD2 3.19Å; R67-D102 VanDerWaalsContact CZ-OD2 3.24Å; R67-D102 IonicContact NE-OD1 2.73Å; R67-D102 IonicContact NE-OD2 2.61Å; R67-D102 PolarHBondContact NE-OD2 3.08Å; R67-D102 IonicContact NH2-OD1 3.57Å; R67-D102 PolarHBondContact NH2-OD1 3.4Å; R67-D102 IonicContact NH2-OD2 3.59Å; R67-D102 PolarHBondContact NH2-OD2 3.18Å; R67-D102 VanDerWaalsContact NH2-OD2 3.14Å; T99-D102 VanDerWaalsContact O-CB 3.27Å; T99-D102 WeakPolarHBondContact O-CB 3.37Å; T99-D102 PolarHBondContact O-N 3.38Å; T99-D102 VanDerWaalsContact O-N 3.12Å; F100-D102 VanDerWaalsContact C-N 3.35Å; D102-D104 VanDerWaalsContact C-N 3.33Å; D102-D104 PolarHBondContact O-N 3.32Å; D102-D104 PolarHBondContact OD1-N 3.15Å; D102-V107 HydrophobicContact CB-CB 3.91Å; D102-V107 HydrophobicContact CB-CG1 3.77Å; D102-R108 HydrophobicContact CB-CG 4.02Å; D102-R108 WeakPolarHBondContact O-CD 3.25Å; D102-R108 WeakPolarHBondContact O-CG 3.37Å; D102-R108 PolarHBondContact O-NH1 3.4Å
103N94.2Very high96.6Very high155 Ų15542.7 Ų42.783%0.82920%0.197SC*.SBendtrans-68.2-31.3176.6-66.8-44.3000112.6P105 R108N103-P105 WeakPolarHBondContact O-CD 3.24Å; N103-R108 PolarHBondContact O-NH1 2.79Å
104D96.3Very high96.7Very high19 Ų1942.9 Ų42.910%0.10220%0.198CC..SBendtrans-81.5114.2178.5-176.7-13.3000109.8P64 K68 D102 R106 V107 R108P64-D104 HydrophobicContact CB-CB 4.38Å; P64-D104 WeakPolarHBondContact CB-OD2 3.39Å; K68-D104 IonicContact NZ-OD2 3.88Å; K68-D104 PolarHBondContact NZ-OD2 3.35Å; K68-D104 VanDerWaalsContact NZ-OD2 3.1Å; D102-D104 VanDerWaalsContact C-N 3.33Å; D102-D104 PolarHBondContact O-N 3.32Å; D102-D104 PolarHBondContact OD1-N 3.15Å; D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.1Å; D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 WeakPolarHBondContact OD1-CG 3.37Å; D104-R106 IonicContact OD1-CZ 3.07Å; D104-R106 PolarHBondContact OD1-N 3.28Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 3.23Å; D104-R106 IonicContact OD1-NH2 2.64Å; D104-R106 IonicContact OD2-CZ 3.48Å; D104-R106 IonicContact OD2-NE 2.92Å; D104-R106 PolarHBondContact OD2-NE 3.47Å; D104-R106 IonicContact OD2-NH2 3.97Å; D104-R106 PolarHBondContact OD2-NH2 3.27Å; D104-V107 HydrophobicContact CB-CB 4.28Å; D104-V107 HydrophobicContact CB-CG2 3.77Å; D104-V107 WeakPolarHBondContact O-CB 3.32Å; D104-V107 PolarHBondContact O-N 3.15Å; D104-R108 PolarHBondContact O-N 3.46Å
105P96.7Very high96.8Very high34 Ų3440.1 Ų40.122%0.22118%0.184CC..Hα-helixtrans-58.6-28.1179.923.8-33.8000112.6N103 V107 R108 H109 D145 V148N103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-V107 VanDerWaalsContact C-N 3.34Å; P105-V107 PolarHBondContact O-N 2.82Å; P105-R108 PolarHBondContact O-N 3.48Å; P105-H109 WeakPolarHBondContact O-CB 3.48Å; P105-H109 PolarHBondContact O-N 3.11Å; P105-D145 HydrophobicContact CB-CB 3.7Å; P105-D145 VanDerWaalsContact CB-CG 3.49Å; P105-D145 WeakPolarHBondContact CB-OD2 3.45Å; P105-D145 WeakPolarHBondContact CG-OD2 3.23Å; P105-V148 HydrophobicContact CB-CG2 4.2Å; P105-V148 VanDerWaalsContact O-CG2 3.27Å; P105-V148 WeakPolarHBondContact O-CG2 3.2Å
106R95.9Very high96.8Very high128 Ų12842.1 Ų42.148%0.48319%0.192SC..Hα-helixtrans-67.9-36.8176-57.3168.8-63.5-176.2-0111D104 H109 Y110D104-R106 PolarHBondContact O-N 2.87Å; D104-R106 VanDerWaalsContact O-N 3.1Å; D104-R106 VanDerWaalsContact OD1-CB 3.23Å; D104-R106 WeakPolarHBondContact OD1-CB 3.44Å; D104-R106 WeakPolarHBondContact OD1-CG 3.37Å; D104-R106 IonicContact OD1-CZ 3.07Å; D104-R106 PolarHBondContact OD1-N 3.28Å; D104-R106 IonicContact OD1-NE 3.19Å; D104-R106 PolarHBondContact OD1-NE 3.23Å; D104-R106 IonicContact OD1-NH2 2.64Å; D104-R106 IonicContact OD2-CZ 3.48Å; D104-R106 IonicContact OD2-NE 2.92Å; D104-R106 PolarHBondContact OD2-NE 3.47Å; D104-R106 IonicContact OD2-NH2 3.97Å; D104-R106 PolarHBondContact OD2-NH2 3.27Å; R106-H109 PolarHBondContact O-N 3.12Å; R106-Y110 WeakPolarHBondContact O-CD2 3.45Å; R106-Y110 PolarHBondContact O-N 2.88Å; R106-Y110 VanDerWaalsContact O-N 3.09Å
107V97.2Very high96.7Very high0 Ų045 Ų450%021%0.207CC..Hα-helixtrans-65.2-44.6174.9179.20000109.3P64 R67 K68 L71 D102 D104 P105 H109 Y110 A111P64-V107 HydrophobicContact CB-CG2 3.98Å; R67-V107 HydrophobicContact CB-CG1 4.28Å; K68-V107 HydrophobicContact CD-CG2 4.47Å; K68-V107 HydrophobicContact CG-CG2 4.03Å; L71-V107 HydrophobicContact CD1-CG1 3.93Å; D102-V107 HydrophobicContact CB-CB 3.91Å; D102-V107 HydrophobicContact CB-CG1 3.77Å; D104-V107 HydrophobicContact CB-CB 4.28Å; D104-V107 HydrophobicContact CB-CG2 3.77Å; D104-V107 WeakPolarHBondContact O-CB 3.32Å; D104-V107 PolarHBondContact O-N 3.15Å; P105-V107 VanDerWaalsContact C-N 3.34Å; P105-V107 PolarHBondContact O-N 2.82Å; V107-H109 VanDerWaalsContact C-N 3.35Å; V107-H109 PolarHBondContact O-N 3.01Å; V107-Y110 CarbonylContact O-C 3.43Å; V107-Y110 PolarHBondContact O-N 3.41Å; V107-A111 PolarHBondContact O-N 3.35Å
108R98Very high96.8Very high28 Ų2844.2 Ų44.211%0.10620%0.203CC..Hα-helixtrans-61.1-39.4175.9-58.6-161.7-60-83.85.1113.2F100 D102 N103 D104 P105 A111 C112 D143 V148F100-R108 WeakPolarHBondContact O-CD 3.42Å; D102-R108 HydrophobicContact CB-CG 4.02Å; D102-R108 WeakPolarHBondContact O-CD 3.25Å; D102-R108 WeakPolarHBondContact O-CG 3.37Å; D102-R108 PolarHBondContact O-NH1 3.4Å; N103-R108 PolarHBondContact O-NH1 2.79Å; D104-R108 PolarHBondContact O-N 3.46Å; P105-R108 PolarHBondContact O-N 3.48Å; R108-A111 VanDerWaalsContact O-CB 3.29Å; R108-A111 WeakPolarHBondContact O-CB 3.28Å; R108-A111 PolarHBondContact O-N 3.34Å; R108-C112 PolarHBondContact O-N 2.87Å; R108-C112 VanDerWaalsContact O-N 3.07Å; R108-C112 PolarHBondContact O-SG 3.45Å; R108-D143 IonicContact CZ-OD1 3.66Å; R108-D143 IonicContact CZ-OD2 2.74Å; R108-D143 IonicContact NE-OD1 2.75Å; R108-D143 IonicContact NE-OD2 3.92Å; R108-D143 PolarHBondContact NE-OD2 3.49Å; R108-D143 IonicContact NH2-OD1 3.51Å; R108-D143 PolarHBondContact NH2-OD1 3.24Å; R108-D143 IonicContact NH2-OD2 3.98Å; R108-D143 PolarHBondContact NH2-OD2 3.3Å; R108-V148 HydrophobicContact CB-CG1 4.22Å; R108-V148 HydrophobicContact CB-CG2 4.12Å
109H97.1Very high96.9Very high41 Ų4136.9 Ų36.919%0.1918%0.175CC..Hα-helixtrans-58.9-49.5172.5168.479.5000111.6P105 R106 V107 A111 C112 E113 S147 V148 S151P105-H109 WeakPolarHBondContact O-CB 3.48Å; P105-H109 PolarHBondContact O-N 3.11Å; R106-H109 PolarHBondContact O-N 3.12Å; V107-H109 VanDerWaalsContact C-N 3.35Å; V107-H109 PolarHBondContact O-N 3.01Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.94Å; H109-C112 WeakPolarHBondContact O-CB 3.49Å; H109-C112 PolarHBondContact O-N 3.15Å; H109-C112 VanDerWaalsContact O-N 3.15Å; H109-E113 IonicContact CE1-OE1 2.88Å; H109-E113 IonicContact NE2-OE1 3.76Å; H109-E113 PolarHBondContact O-N 2.87Å; H109-E113 VanDerWaalsContact O-N 3.1Å; H109-S147 PolarHBondContact ND1-O 3Å; H109-V148 HydrophobicContact CB-CG2 4.17Å; H109-S151 PolarHBondContact CE1-OG 3.49Å; H109-S151 PolarHBondContact ND1-OG 2.83Å
110Y96.2Very high96.9Very high36 Ų3642.4 Ų42.414%0.14120%0.199CC..Hα-helixtrans-67.2-25.4175.7-70.6-58.5000113.2F21 K68 F72 R106 V107 C112 E113 A114F21-Y110 HydrophobicContact CD2-CE1 4.27Å; F21-Y110 WeakPolarHBondContact CD2-OH 3.31Å; F21-Y110 AromaticContact CE2-CE1 3.99Å; F21-Y110 HydrophobicContact CE2-CE1 3.99Å; K68-Y110 HydrophobicContact CB-CD2 4.33Å; K68-Y110 HydrophobicContact CD-CD2 3.83Å; K68-Y110 HydrophobicContact CD-CE2 3.85Å; K68-Y110 HydrophobicContact CG-CD2 3.65Å; K68-Y110 HydrophobicContact CG-CE2 4.15Å; F72-Y110 AromaticContact CE2-CD1 3.56Å; F72-Y110 HydrophobicContact CE2-CD1 3.56Å; F72-Y110 AromaticContact CE2-CE1 3.74Å; F72-Y110 HydrophobicContact CE2-CE1 3.74Å; F72-Y110 HydrophobicContact CE2-CG 4.14Å; F72-Y110 HydrophobicContact CZ-CD1 4.18Å; F72-Y110 HydrophobicContact CZ-CE1 4.01Å; R106-Y110 WeakPolarHBondContact O-CD2 3.45Å; R106-Y110 PolarHBondContact O-N 2.88Å; R106-Y110 VanDerWaalsContact O-N 3.09Å; V107-Y110 CarbonylContact O-C 3.43Å; V107-Y110 PolarHBondContact O-N 3.41Å; Y110-C112 VanDerWaalsContact C-N 3.35Å; Y110-E113 WeakPolarHBondContact CD1-OE2 3.39Å; Y110-E113 PolarHBondContact O-N 2.88Å; Y110-A114 VanDerWaalsContact O-CB 3.24Å; Y110-A114 WeakPolarHBondContact O-CB 3.38Å; Y110-A114 PolarHBondContact O-N 3.35Å
111A98.3Very high96.9Very high0 Ų044 Ų440%021%0.207CC..Hα-helixtrans-65-41.9172.300000110.9L71 I96 T99 F100 V107 R108 H109 A114 L115L71-A111 HydrophobicContact CD1-CB 4.17Å; L71-A111 HydrophobicContact CD2-CB 4.49Å; I96-A111 WeakPolarHBondContact CG2-O 3.46Å; T99-A111 WeakPolarHBondContact OG1-CB 3.14Å; F100-A111 HydrophobicContact CD2-CB 3.83Å; F100-A111 HydrophobicContact CE2-CB 3.81Å; F100-A111 HydrophobicContact CZ-CB 4.5Å; V107-A111 PolarHBondContact O-N 3.35Å; R108-A111 VanDerWaalsContact O-CB 3.29Å; R108-A111 WeakPolarHBondContact O-CB 3.28Å; R108-A111 PolarHBondContact O-N 3.34Å; H109-A111 VanDerWaalsContact C-N 3.25Å; H109-A111 PolarHBondContact O-N 2.94Å; A111-A114 PolarHBondContact O-N 3.11Å; A111-L115 VanDerWaalsContact O-CB 3.27Å; A111-L115 WeakPolarHBondContact O-CB 3.32Å; A111-L115 PolarHBondContact O-N 2.84Å
112C98.2Very high96.8Very high0 Ų038.9 Ų38.90%018%0.184CC..Hα-helixtrans-61.9-48.4173.1-600000111.2F100 R108 H109 Y110 A114 L115 F116 C155F100-C112 VanDerWaalsContact CE1-SG 3.54Å; F100-C112 HydrophobicContact CZ-CB 4.45Å; R108-C112 PolarHBondContact O-N 2.87Å; R108-C112 VanDerWaalsContact O-N 3.07Å; R108-C112 PolarHBondContact O-SG 3.45Å; H109-C112 WeakPolarHBondContact O-CB 3.49Å; H109-C112 PolarHBondContact O-N 3.15Å; H109-C112 VanDerWaalsContact O-N 3.15Å; Y110-C112 VanDerWaalsContact C-N 3.35Å; C112-A114 VanDerWaalsContact C-N 3.35Å; C112-A114 PolarHBondContact O-N 3.24Å; C112-L115 PolarHBondContact O-N 3.46Å; C112-F116 WeakPolarHBondContact O-CB 3.29Å; C112-F116 PolarHBondContact O-N 3.04Å; C112-C155 PolarHBondContact O-SG 3.13Å
113E96.3Very high96.7Very high74 Ų7442 Ų4235%0.34619%0.194SC..Hα-helixtrans-61.7-41.7177.7-68.3-166.9148.900112.5H109 Y110 N117H109-E113 IonicContact CE1-OE1 2.88Å; H109-E113 IonicContact NE2-OE1 3.76Å; H109-E113 PolarHBondContact O-N 2.87Å; H109-E113 VanDerWaalsContact O-N 3.1Å; Y110-E113 WeakPolarHBondContact CD1-OE2 3.39Å; Y110-E113 PolarHBondContact O-N 2.88Å; E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 VanDerWaalsContact O-N 3.11Å; E113-N117 PolarHBondContact O-ND2 3.43Å
114A97.8Very high96.5Very high4 Ų441.7 Ų41.73%0.03319%0.185CC..Hα-helixtrans-63.9-47.317700000111.1L71 A75 I96 Y110 A111 C112 F116 N117 V118L71-A114 HydrophobicContact CB-CB 4.18Å; L71-A114 HydrophobicContact CD2-CB 4.26Å; A75-A114 HydrophobicContact CB-CB 4.11Å; I96-A114 HydrophobicContact CD1-CB 4.14Å; I96-A114 HydrophobicContact CG1-CB 4.4Å; I96-A114 HydrophobicContact CG2-CB 4.2Å; Y110-A114 VanDerWaalsContact O-CB 3.24Å; Y110-A114 WeakPolarHBondContact O-CB 3.38Å; Y110-A114 PolarHBondContact O-N 3.35Å; A111-A114 PolarHBondContact O-N 3.11Å; C112-A114 VanDerWaalsContact C-N 3.35Å; C112-A114 PolarHBondContact O-N 3.24Å; A114-F116 PolarHBondContact O-N 3.17Å; A114-N117 PolarHBondContact O-N 3.2Å; A114-V118 VanDerWaalsContact O-CG2 3.27Å; A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.5Å
115L98.4Very high96.3Very high0 Ų043.3 Ų43.30%019%0.192CC..Hα-helixtrans-60.6-45.8177.8-176.862.1000111.3I96 F100 A111 C112 N117 V118 M119 V133 I137I96-L115 HydrophobicContact CG2-CB 3.87Å; F100-L115 HydrophobicContact CE2-CB 4.25Å; F100-L115 HydrophobicContact CE2-CD2 3.82Å; F100-L115 HydrophobicContact CZ-CB 4.31Å; F100-L115 HydrophobicContact CZ-CD2 3.61Å; A111-L115 VanDerWaalsContact O-CB 3.27Å; A111-L115 WeakPolarHBondContact O-CB 3.32Å; A111-L115 PolarHBondContact O-N 2.84Å; C112-L115 PolarHBondContact O-N 3.46Å; L115-N117 PolarHBondContact O-N 3.27Å; L115-V118 PolarHBondContact O-N 2.79Å; L115-M119 HydrophobicContact CD1-CG 3.97Å; L115-M119 HydrophobicContact CD1-SD 4Å; L115-M119 HydrophobicContact CD2-SD 4.17Å; L115-M119 HydrophobicContact CG-CG 4.13Å; L115-M119 HydrophobicContact CG-SD 3.66Å; L115-M119 WeakPolarHBondContact O-CB 3.22Å; L115-M119 WeakPolarHBondContact O-CG 3.27Å; L115-M119 PolarHBondContact O-N 2.63Å; L115-V133 HydrophobicContact CD2-CG1 4.42Å; L115-I137 HydrophobicContact CD2-CD1 4.47Å; L115-I137 HydrophobicContact CD2-CG1 4.08Å
116F98.3Very high96.1Very high51 Ų5141.7 Ų41.722%0.22418%0.182CC..Hα-helixtrans-56-48.5176.8178.6-94.4000112.2C112 A114 V118 M119 K120 Q154 L158C112-F116 WeakPolarHBondContact O-CB 3.29Å; C112-F116 PolarHBondContact O-N 3.04Å; A114-F116 PolarHBondContact O-N 3.17Å; F116-V118 VanDerWaalsContact C-N 3.35Å; F116-V118 PolarHBondContact O-N 3.34Å; F116-M119 PolarHBondContact O-N 2.63Å; F116-K120 WeakPolarHBondContact O-CB 3.47Å; F116-K120 PolarHBondContact O-N 3.14Å; F116-Q154 HydrophobicContact CD2-CB 3.9Å; F116-Q154 HydrophobicContact CE2-CB 3.99Å; F116-L158 HydrophobicContact CD2-CB 4.15Å; F116-L158 HydrophobicContact CD2-CD2 3.66Å; F116-L158 HydrophobicContact CE2-CB 3.96Å; F116-L158 HydrophobicContact CE2-CD2 3.7Å; F116-L158 HydrophobicContact CE2-CG 4.39Å; F116-L158 HydrophobicContact CG-CD2 4.29Å; F116-L158 HydrophobicContact CZ-CD2 4.35Å; F116-L158 WeakPolarHBondContact O-CD2 3.27Å
117N96.4Very high95.9Very high59 Ų5937.1 Ų37.132%0.31617%0.167SC..Hα-helixtrans-65.1-38.5179.7-72.1-44.3000112.3I79 E113 A114 L115 I121I79-N117 HydrophobicContact CD1-CB 4.43Å; E113-N117 PolarHBondContact O-N 2.99Å; E113-N117 VanDerWaalsContact O-N 3.11Å; E113-N117 PolarHBondContact O-ND2 3.43Å; A114-N117 PolarHBondContact O-N 3.2Å; L115-N117 PolarHBondContact O-N 3.27Å; N117-I121 WeakPolarHBondContact O-CD1 3.06Å; N117-I121 WeakPolarHBondContact O-CG1 3.37Å
118V97.8Very high95.6Very high0 Ų042.4 Ų42.40%020%0.195CC..Hα-helixtrans-66.4-50.5176.1173.30000110.6A78 I92 I93 I96 A114 L115 F116 K120 I121 T122A78-V118 HydrophobicContact CB-CB 4.43Å; A78-V118 HydrophobicContact CB-CG1 4.47Å; A78-V118 HydrophobicContact CB-CG2 3.76Å; I92-V118 HydrophobicContact CG2-CG1 3.99Å; I92-V118 HydrophobicContact CG2-CG2 3.72Å; I93-V118 HydrophobicContact CD1-CG1 4.31Å; I93-V118 HydrophobicContact CG1-CG1 3.7Å; I96-V118 HydrophobicContact CD1-CG2 3.71Å; A114-V118 VanDerWaalsContact O-CG2 3.27Å; A114-V118 WeakPolarHBondContact O-CG2 3.42Å; A114-V118 PolarHBondContact O-N 3.5Å; L115-V118 PolarHBondContact O-N 2.79Å; F116-V118 VanDerWaalsContact C-N 3.35Å; F116-V118 PolarHBondContact O-N 3.34Å; V118-K120 PolarHBondContact O-N 3.21Å; V118-I121 WeakPolarHBondContact O-CA 3.24Å; V118-I121 WeakPolarHBondContact O-CB 3.36Å; V118-I121 PolarHBondContact O-N 3.1Å; V118-T122 HydrophobicContact CG1-CG2 4Å; V118-T122 PolarHBondContact O-N 3.42Å; V118-T122 PolarHBondContact O-OG1 3.35Å
119M96.9Very high95.4Very high0 Ų043.1 Ų43.10%020%0.198CC..Hα-helixtrans-59.3-34.7179.5-71.7177.154.500113.1L115 F116 I121 R123 T126 V133 I137 L158 L159 I162L115-M119 HydrophobicContact CD1-CG 3.97Å; L115-M119 HydrophobicContact CD1-SD 4Å; L115-M119 HydrophobicContact CD2-SD 4.17Å; L115-M119 HydrophobicContact CG-CG 4.13Å; L115-M119 HydrophobicContact CG-SD 3.66Å; L115-M119 WeakPolarHBondContact O-CB 3.22Å; L115-M119 WeakPolarHBondContact O-CG 3.27Å; L115-M119 PolarHBondContact O-N 2.63Å; F116-M119 PolarHBondContact O-N 2.63Å; M119-I121 PolarHBondContact O-N 2.96Å; M119-R123 WeakPolarHBondContact O-CA 3.29Å; M119-R123 WeakPolarHBondContact O-CG 3.19Å; M119-R123 PolarHBondContact O-N 3.47Å; M119-T126 HydrophobicContact CE-CG2 4.26Å; M119-T126 HydrophobicContact CG-CG2 3.67Å; M119-T126 HydrophobicContact SD-CG2 4.3Å; M119-V133 HydrophobicContact CE-CG1 4.45Å; M119-V133 HydrophobicContact SD-CG1 3.99Å; M119-I137 HydrophobicContact CE-CD1 4.41Å; M119-I137 HydrophobicContact SD-CD1 4.28Å; M119-L158 HydrophobicContact CB-CD2 3.8Å; M119-L158 HydrophobicContact CB-CG 4.49Å; M119-L158 HydrophobicContact CE-CG 4.31Å; M119-L159 HydrophobicContact CE-CB 3.73Å; M119-L159 HydrophobicContact CE-CD1 3.81Å; M119-L159 HydrophobicContact CE-CG 4.34Å; M119-I162 HydrophobicContact CB-CD1 4.11Å; M119-I162 HydrophobicContact CE-CD1 3.82Å
120K96.8Very high95.2Very high120 Ų12041.7 Ų41.752%0.52219%0.192SC..Hα-helixtrans-60.2-26.3176.1-173.3177.2177.6-177.60112.2F116 V118 L158F116-K120 WeakPolarHBondContact O-CB 3.47Å; F116-K120 PolarHBondContact O-N 3.14Å; V118-K120 PolarHBondContact O-N 3.21Å; K120-L158 HydrophobicContact CB-CD2 4.18Å
121I96.4Very high94.9Very high44 Ų4442.5 Ų42.523%0.22620%0.203CC..Hα-helixtrans-98-54.6-178.1-59.2165.6000110.1A78 I79 N82 A85 N117 V118 M119 R123A78-I121 HydrophobicContact CB-CD1 4.21Å; I79-I121 VanDerWaalsContact CA-CD1 3.46Å; I79-I121 HydrophobicContact CB-CD1 4.18Å; I79-I121 HydrophobicContact CG1-CD1 3.71Å; N82-I121 WeakPolarHBondContact O-CG2 3.35Å; A85-I121 HydrophobicContact CB-CG2 3.79Å; N117-I121 WeakPolarHBondContact O-CD1 3.06Å; N117-I121 WeakPolarHBondContact O-CG1 3.37Å; V118-I121 WeakPolarHBondContact O-CA 3.24Å; V118-I121 WeakPolarHBondContact O-CB 3.36Å; V118-I121 PolarHBondContact O-N 3.1Å; M119-I121 PolarHBondContact O-N 2.96Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-R123 VanDerWaalsContact O-N 3.1Å
122T94Very high94.7Very high2 Ų246.2 Ų46.21%0.01222%0.223CC..SBendtrans-80.218.1-173.859.70000114.1A85 H89 V118 K124 E125 T126A85-T122 HydrophobicContact CB-CG2 3.85Å; H89-T122 HydrophobicContact CB-CG2 4.27Å; V118-T122 HydrophobicContact CG1-CG2 4Å; V118-T122 PolarHBondContact O-N 3.42Å; V118-T122 PolarHBondContact O-OG1 3.35Å; T122-K124 PolarHBondContact O-N 2.98Å; T122-E125 CarbonylContact O-C 3.43Å; T122-E125 WeakPolarHBondContact O-CA 3.37Å; T122-E125 WeakPolarHBondContact O-CB 3.39Å; T122-E125 PolarHBondContact O-N 3.43Å; T122-T126 PolarHBondContact O-N 3.34Å; T122-T126 PolarHBondContact O-OG1 2.87Å; T122-T126 VanDerWaalsContact O-OG1 3.07Å; T122-T126 PolarHBondContact OG1-OG1 3.39Å
123R93.7Very high94.6Very high88 Ų8846.2 Ų46.233%0.33222%0.223SC..Hα-helixtrans-24.9-71.2-165.1-71.7-167.7151.1112.2-10.9115.4M119 I121 E125 T126 E161 I162 E165M119-R123 WeakPolarHBondContact O-CA 3.29Å; M119-R123 WeakPolarHBondContact O-CG 3.19Å; M119-R123 PolarHBondContact O-N 3.47Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-R123 VanDerWaalsContact O-N 3.1Å; R123-E125 PolarHBondContact O-N 2.94Å; R123-T126 WeakPolarHBondContact O-CB 2.95Å; R123-T126 PolarHBondContact O-N 3.31Å; R123-T126 PolarHBondContact O-OG1 3.38Å; R123-E161 IonicContact CZ-OE1 2.82Å; R123-E161 IonicContact NH2-OE1 2.67Å; R123-E161 PolarHBondContact NH2-OE1 2.98Å; R123-I162 HydrophobicContact CB-CD1 4.48Å; R123-I162 HydrophobicContact CB-CG1 4.24Å; R123-I162 HydrophobicContact CB-CG2 4.5Å; R123-I162 HydrophobicContact CG-CD1 4.32Å; R123-I162 HydrophobicContact CG-CG1 4.1Å; R123-I162 VanDerWaalsContact O-CG2 3.31Å; R123-I162 WeakPolarHBondContact O-CG2 3.46Å; R123-E165 IonicContact NE-OE2 3.47Å
124K90Very high94.5Very high147 Ų14742.7 Ų42.764%0.63921%0.206SC*.Hα-helixtrans-64.1-41.4-178.1-176.8180177.1-179.90112.5T122 T126 L127T122-K124 PolarHBondContact O-N 2.98Å; K124-T126 PolarHBondContact O-N 2.94Å; K124-L127 VanDerWaalsContact O-CB 3.31Å; K124-L127 WeakPolarHBondContact O-CB 3.42Å; K124-L127 PolarHBondContact O-N 3.15Å; K124-L127 VanDerWaalsContact O-N 3.1Å
125E92.3Very high94.4Very high53 Ų5344.4 Ų44.425%0.24822%0.215CC..Hα-helixtrans-66-24.8179.7-61.972.9-15600112.7C86 H89 T122 R123 L127 N128C86-E125 HydrophobicContact CB-CG 3.86Å; H89-E125 HydrophobicContact CB-CB 3.99Å; T122-E125 CarbonylContact O-C 3.43Å; T122-E125 WeakPolarHBondContact O-CA 3.37Å; T122-E125 WeakPolarHBondContact O-CB 3.39Å; T122-E125 PolarHBondContact O-N 3.43Å; R123-E125 PolarHBondContact O-N 2.94Å; E125-L127 PolarHBondContact O-N 3Å; E125-N128 VanDerWaalsContact O-CB 3.3Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 3.37Å; E125-N128 VanDerWaalsContact O-N 3.17Å; E125-N128 PolarHBondContact O-ND2 3.49Å
126T93.2Very high94.3Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-56.7-35.3172-51.60000111.3M119 T122 R123 K124 N128 Y129 V133M119-T126 HydrophobicContact CE-CG2 4.26Å; M119-T126 HydrophobicContact CG-CG2 3.67Å; M119-T126 HydrophobicContact SD-CG2 4.3Å; T122-T126 PolarHBondContact O-N 3.34Å; T122-T126 PolarHBondContact O-OG1 2.87Å; T122-T126 VanDerWaalsContact O-OG1 3.07Å; T122-T126 PolarHBondContact OG1-OG1 3.39Å; R123-T126 WeakPolarHBondContact O-CB 2.95Å; R123-T126 PolarHBondContact O-N 3.31Å; R123-T126 PolarHBondContact O-OG1 3.38Å; K124-T126 PolarHBondContact O-N 2.94Å; T126-N128 PolarHBondContact O-N 2.81Å; T126-Y129 CarbonylContact O-C 3.43Å; T126-Y129 PolarHBondContact O-N 3.03Å; T126-V133 HydrophobicContact CG2-CG1 4.27Å; T126-V133 HydrophobicContact CG2-CG2 4.11Å
127L91.6Very high94.3Very high33 Ų3342 Ų4217%0.17320%0.204CC..G310 helixtrans-67.9-19.5-177.5-58.6173.4000112.8K124 E125 Y129 L130 I162 I163 T166 I168K124-L127 VanDerWaalsContact O-CB 3.31Å; K124-L127 WeakPolarHBondContact O-CB 3.42Å; K124-L127 PolarHBondContact O-N 3.15Å; K124-L127 VanDerWaalsContact O-N 3.1Å; E125-L127 PolarHBondContact O-N 3Å; L127-Y129 PolarHBondContact O-N 3.49Å; L127-Y129 VanDerWaalsContact O-N 3.12Å; L127-L130 HydrophobicContact CD2-CD1 4.3Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 PolarHBondContact O-N 3.29Å; L127-L130 VanDerWaalsContact O-N 3.11Å; L127-I162 HydrophobicContact CD1-CG2 4.28Å; L127-I162 HydrophobicContact CD2-CG2 3.99Å; L127-I162 HydrophobicContact CG-CG2 4.08Å; L127-I163 HydrophobicContact CD2-CG1 3.92Å; L127-T166 HydrophobicContact CD1-CG2 3.79Å; L127-T166 WeakPolarHBondContact CD1-OG1 3.49Å; L127-I168 HydrophobicContact CD1-CD1 3.64Å; L127-I168 HydrophobicContact CD1-CG1 3.97Å; L127-I168 HydrophobicContact CD2-CD1 3.78Å; L127-I168 HydrophobicContact CG-CD1 4.29Å
128N91.2Very high94.3Very high111 Ų11139.1 Ų39.159%0.59419%0.189SC*.G310 helixtrans-63.1-15.5170.8-62.2-25.8000112.6E125 T126E125-N128 VanDerWaalsContact O-CB 3.3Å; E125-N128 WeakPolarHBondContact O-CB 3.35Å; E125-N128 PolarHBondContact O-N 3.37Å; E125-N128 VanDerWaalsContact O-N 3.17Å; E125-N128 PolarHBondContact O-ND2 3.49Å; T126-N128 PolarHBondContact O-N 2.81Å
129Y92.9Very high94.1Very high43 Ų4344 Ų4417%0.16921%0.207CC..G310 helixtrans-122.926.3177.2-50.6-79.5000111.4H89 G90 I93 L94 T126 L127 S131 D132 V133H89-Y129 AromaticContact CE1-CE2 3.96Å; H89-Y129 PolarHBondContact CE1-OH 3.49Å; H89-Y129 VanDerWaalsContact CE1-OH 3.29Å; H89-Y129 AromaticContact ND1-CE2 3.27Å; H89-Y129 VanDerWaalsContact ND1-CE2 3.27Å; H89-Y129 WeakPolarHBondContact ND1-CE2 3.37Å; H89-Y129 AromaticContact ND1-CZ 3.59Å; H89-Y129 PolarHBondContact ND1-OH 3.47Å; G90-Y129 WeakPolarHBondContact CA-OH 3.43Å; G90-Y129 PolarHBondContact N-OH 3.37Å; I93-Y129 HydrophobicContact CB-CD2 4.4Å; I93-Y129 HydrophobicContact CD1-CD2 3.88Å; I93-Y129 HydrophobicContact CD1-CE2 4.23Å; I93-Y129 HydrophobicContact CG2-CD2 4.18Å; I93-Y129 HydrophobicContact CG2-CG 4.22Å; L94-Y129 HydrophobicContact CD1-CE1 4.13Å; L94-Y129 HydrophobicContact CD2-CD1 3.81Å; L94-Y129 HydrophobicContact CD2-CE1 4.21Å; L94-Y129 HydrophobicContact CG-CD1 4.14Å; L94-Y129 HydrophobicContact CG-CE1 4.09Å; T126-Y129 CarbonylContact O-C 3.43Å; T126-Y129 PolarHBondContact O-N 3.03Å; L127-Y129 PolarHBondContact O-N 3.49Å; L127-Y129 VanDerWaalsContact O-N 3.12Å; Y129-S131 VanDerWaalsContact C-N 3.3Å; Y129-S131 PolarHBondContact O-N 3.29Å; Y129-D132 PolarHBondContact O-N 3.3Å; Y129-D132 VanDerWaalsContact O-N 3.15Å; Y129-V133 WeakPolarHBondContact O-CB 3.42Å; Y129-V133 VanDerWaalsContact O-CG2 3.29Å; Y129-V133 WeakPolarHBondContact O-CG2 3.12Å; Y129-V133 PolarHBondContact O-N 2.84Å
130L92Very high94.1Very high11 Ų1144 Ų446%0.05821%0.208CC..Hα-helixtrans-51.6-47.5-172.7175.859.9000112.4L127 V133 L134 L159 I163 I174L127-L130 HydrophobicContact CD2-CD1 4.3Å; L127-L130 WeakPolarHBondContact O-CB 3.43Å; L127-L130 PolarHBondContact O-N 3.29Å; L127-L130 VanDerWaalsContact O-N 3.11Å; L130-V133 PolarHBondContact O-N 3.47Å; L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 PolarHBondContact O-N 2.59Å; L130-L159 HydrophobicContact CD1-CD1 4.24Å; L130-L159 HydrophobicContact CD1-CD2 4.3Å; L130-I163 HydrophobicContact CD1-CD1 3.9Å; L130-I174 HydrophobicContact CD2-CD1 4.11Å; L130-I174 HydrophobicContact CD2-CG1 3.96Å; L130-I174 HydrophobicContact CG-CG1 4.4Å
131S91.5Very high94.1Very high53 Ų5338.7 Ų38.737%0.37119%0.185SC..Hα-helixtrans-57.5-50.8178.9-173.80000112.3Y129 L134 D135Y129-S131 VanDerWaalsContact C-N 3.3Å; Y129-S131 PolarHBondContact O-N 3.29Å; S131-L134 PolarHBondContact O-N 3.43Å; S131-D135 WeakPolarHBondContact O-CB 3.49Å; S131-D135 PolarHBondContact O-N 3.14Å
132D93.8Very high94.1Very high78 Ų7837.7 Ų37.742%0.41718%0.182SC..Hα-helixtrans-66.8-41.5-180-63.3-65.7000112.5I97 Y129 D135 A136I97-D132 HydrophobicContact CD1-CB 3.65Å; I97-D132 HydrophobicContact CG2-CB 4.39Å; Y129-D132 PolarHBondContact O-N 3.3Å; Y129-D132 VanDerWaalsContact O-N 3.15Å; D132-D135 PolarHBondContact O-N 3.12Å; D132-A136 WeakPolarHBondContact O-CB 3.47Å; D132-A136 PolarHBondContact O-N 2.95Å
133V95.7Very high94.2Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-65.8-43.8179.1172.30000110.1I93 I97 L115 M119 T126 Y129 L130 A136 I137 L159I93-V133 HydrophobicContact CG2-CG2 4.07Å; I97-V133 HydrophobicContact CD1-CG2 3.75Å; L115-V133 HydrophobicContact CD2-CG1 4.42Å; M119-V133 HydrophobicContact CE-CG1 4.45Å; M119-V133 HydrophobicContact SD-CG1 3.99Å; T126-V133 HydrophobicContact CG2-CG1 4.27Å; T126-V133 HydrophobicContact CG2-CG2 4.11Å; Y129-V133 WeakPolarHBondContact O-CB 3.42Å; Y129-V133 VanDerWaalsContact O-CG2 3.29Å; Y129-V133 WeakPolarHBondContact O-CG2 3.12Å; Y129-V133 PolarHBondContact O-N 2.84Å; L130-V133 PolarHBondContact O-N 3.47Å; V133-A136 PolarHBondContact O-N 2.97Å; V133-I137 HydrophobicContact CG1-CD1 3.73Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 WeakPolarHBondContact O-CB 3.38Å; V133-I137 VanDerWaalsContact O-CG1 3.27Å; V133-I137 WeakPolarHBondContact O-CG1 3.43Å; V133-I137 PolarHBondContact O-N 3.48Å; V133-L159 HydrophobicContact CG1-CD1 4.14Å; V133-L159 HydrophobicContact CG1-CD2 4.21Å
134L94.7Very high94.2Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-65.5-41.6177.7-17369.3000111.5L130 S131 I137 S138 L159 I174 L177 F192 W196L130-L134 WeakPolarHBondContact O-CB 3.35Å; L130-L134 PolarHBondContact O-N 2.59Å; S131-L134 PolarHBondContact O-N 3.43Å; L134-I137 PolarHBondContact O-N 3.49Å; L134-S138 WeakPolarHBondContact O-CB 3.14Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-L159 HydrophobicContact CB-CD2 4.39Å; L134-L159 HydrophobicContact CD1-CD2 3.87Å; L134-I174 HydrophobicContact CD2-CB 4.05Å; L134-I174 HydrophobicContact CD2-CG1 4.06Å; L134-I174 HydrophobicContact CD2-CG2 3.88Å; L134-L177 HydrophobicContact CB-CD1 4.13Å; L134-L177 HydrophobicContact CD2-CB 4.11Å; L134-L177 HydrophobicContact CD2-CD1 3.91Å; L134-L177 HydrophobicContact CD2-CD2 4.08Å; L134-L177 HydrophobicContact CD2-CG 4.26Å; L134-L177 HydrophobicContact CG-CD1 3.77Å; L134-L177 HydrophobicContact CG-CD2 4.12Å; L134-L177 HydrophobicContact CG-CG 4.46Å; L134-F192 HydrophobicContact CD1-CZ 3.9Å; L134-W196 HydrophobicContact CD1-CD2 4.25Å; L134-W196 HydrophobicContact CD1-CH2 3.96Å; L134-W196 HydrophobicContact CD1-CZ2 3.56Å; L134-W196 HydrophobicContact CD1-CZ3 4.45Å
135D94.8Very high94.5Very high39 Ų3934.8 Ų34.821%0.20919%0.189CC..Hα-helixtrans-59.6-46.3174.8-172.570.8000111.7S131 D132 R139 L177 R181S131-D135 WeakPolarHBondContact O-CB 3.49Å; S131-D135 PolarHBondContact O-N 3.14Å; D132-D135 PolarHBondContact O-N 3.12Å; D135-R139 WeakPolarHBondContact O-CG 3.1Å; D135-R139 PolarHBondContact O-N 3.07Å; D135-R139 IonicContact OD1-CZ 3.42Å; D135-R139 IonicContact OD1-NE 2.76Å; D135-R139 IonicContact OD1-NH2 2.88Å; D135-R139 PolarHBondContact OD1-NH2 3.32Å; D135-R139 VanDerWaalsContact OD1-NH2 3.13Å; D135-R139 IonicContact OD2-CZ 3.67Å; D135-R139 VanDerWaalsContact OD2-CZ 3.3Å; D135-R139 IonicContact OD2-NE 3.11Å; D135-R139 PolarHBondContact OD2-NE 3.44Å; D135-R139 IonicContact OD2-NH2 3.5Å; D135-R139 PolarHBondContact OD2-NH2 3.47Å; D135-L177 HydrophobicContact CB-CD1 3.99Å; D135-R181 IonicContact OD1-CZ 2.78Å; D135-R181 IonicContact OD1-NH2 2.65Å; D135-R181 PolarHBondContact OD1-NH2 2.93Å; D135-R181 IonicContact OD2-NH2 3.51Å
136A96.9Very high94.6Very high0 Ų036.1 Ų36.10%020%0.204CC..Hα-helixtrans-61.8-51177.100000112.2I97 F100 D132 V133 S138 R139 G140I97-A136 HydrophobicContact CG1-CB 4.34Å; I97-A136 HydrophobicContact CG2-CB 4.13Å; F100-A136 HydrophobicContact CB-CB 4.36Å; F100-A136 HydrophobicContact CD1-CB 3.92Å; F100-A136 WeakPolarHBondContact CD1-O 3.27Å; F100-A136 HydrophobicContact CD2-CB 3.97Å; F100-A136 HydrophobicContact CE1-CB 4.15Å; F100-A136 WeakPolarHBondContact CE1-O 3.34Å; F100-A136 HydrophobicContact CE2-CB 4.21Å; F100-A136 HydrophobicContact CG-CB 3.82Å; F100-A136 HydrophobicContact CZ-CB 4.29Å; D132-A136 WeakPolarHBondContact O-CB 3.47Å; D132-A136 PolarHBondContact O-N 2.95Å; V133-A136 PolarHBondContact O-N 2.97Å; A136-S138 PolarHBondContact O-N 3.47Å; A136-R139 PolarHBondContact O-N 3Å; A136-G140 PolarHBondContact O-N 2.92Å
137I97.6Very high94.6Very high0 Ų038.7 Ų38.70%022%0.222CC..Hα-helixtrans-62.7-45.6179.4-69.4172.9000110.4L115 M119 V133 L134 R139 G140 V141 C155 D156 L159 F192L115-I137 HydrophobicContact CD2-CD1 4.47Å; L115-I137 HydrophobicContact CD2-CG1 4.08Å; M119-I137 HydrophobicContact CE-CD1 4.41Å; M119-I137 HydrophobicContact SD-CD1 4.28Å; V133-I137 HydrophobicContact CG1-CD1 3.73Å; V133-I137 HydrophobicContact CG1-CG1 4.41Å; V133-I137 WeakPolarHBondContact O-CB 3.38Å; V133-I137 VanDerWaalsContact O-CG1 3.27Å; V133-I137 WeakPolarHBondContact O-CG1 3.43Å; V133-I137 PolarHBondContact O-N 3.48Å; L134-I137 PolarHBondContact O-N 3.49Å; I137-R139 VanDerWaalsContact C-N 3.29Å; I137-R139 PolarHBondContact O-N 3.29Å; I137-G140 PolarHBondContact O-N 2.9Å; I137-G140 VanDerWaalsContact O-N 3.1Å; I137-V141 HydrophobicContact CG2-CG2 4.14Å; I137-V141 WeakPolarHBondContact O-CG2 3.36Å; I137-V141 PolarHBondContact O-N 3.4Å; I137-C155 HydrophobicContact CD1-CB 3.74Å; I137-C155 HydrophobicContact CG1-CB 3.74Å; I137-D156 HydrophobicContact CG2-CB 3.7Å; I137-L159 HydrophobicContact CD1-CB 3.99Å; I137-L159 HydrophobicContact CD1-CD2 3.87Å; I137-L159 HydrophobicContact CD1-CG 4.46Å; I137-F192 HydrophobicContact CG2-CE2 4.04Å
138S96Very high94.9Very high0 Ų037.1 Ų37.10%021%0.214CC..Hα-helixtrans-59.6-41.3179.2-172.30000111.2L134 A136 S142 R181 F192L134-S138 WeakPolarHBondContact O-CB 3.14Å; L134-S138 PolarHBondContact O-N 3.47Å; A136-S138 PolarHBondContact O-N 3.47Å; S138-S142 WeakPolarHBondContact O-CB 3.45Å; S138-S142 PolarHBondContact O-N 3.3Å; S138-S142 PolarHBondContact O-OG 3.1Å; S138-R181 PolarHBondContact OG-NH1 3.15Å; S138-F192 VanDerWaalsContact CB-CE1 3.45Å; S138-F192 WeakPolarHBondContact OG-CD1 3.13Å; S138-F192 WeakPolarHBondContact OG-CE1 3.39Å
139R94.7Very high95.2Very high102 Ų10233.7 Ų33.739%0.38519%0.193SC..Hα-helixtrans-61.3-50171.4-72.5174.8-158.9-85.2-5.9111.5D135 A136 I137 V141 S142 D143D135-R139 WeakPolarHBondContact O-CG 3.1Å; D135-R139 PolarHBondContact O-N 3.07Å; D135-R139 IonicContact OD1-CZ 3.42Å; D135-R139 IonicContact OD1-NE 2.76Å; D135-R139 IonicContact OD1-NH2 2.88Å; D135-R139 PolarHBondContact OD1-NH2 3.32Å; D135-R139 VanDerWaalsContact OD1-NH2 3.13Å; D135-R139 IonicContact OD2-CZ 3.67Å; D135-R139 VanDerWaalsContact OD2-CZ 3.3Å; D135-R139 IonicContact OD2-NE 3.11Å; D135-R139 PolarHBondContact OD2-NE 3.44Å; D135-R139 IonicContact OD2-NH2 3.5Å; D135-R139 PolarHBondContact OD2-NH2 3.47Å; A136-R139 PolarHBondContact O-N 3Å; I137-R139 VanDerWaalsContact C-N 3.29Å; I137-R139 PolarHBondContact O-N 3.29Å; R139-V141 VanDerWaalsContact C-N 3.35Å; R139-V141 PolarHBondContact O-N 3.18Å; R139-S142 CarbonylContact O-C 3.52Å; R139-S142 WeakPolarHBondContact O-CA 3.35Å; R139-S142 PolarHBondContact O-N 3.02Å; R139-S142 VanDerWaalsContact O-N 3.09Å; R139-S142 PolarHBondContact O-OG 3.2Å; R139-D143 PolarHBondContact O-N 3.09Å
140G96.6Very high95.3Very high1 Ų135 Ų351%0.0121%0.206CC..Hα-helixtrans-61.7-37.3-178.500000113.9A136 I137 S142 D143 A152A136-G140 PolarHBondContact O-N 2.92Å; I137-G140 PolarHBondContact O-N 2.9Å; I137-G140 VanDerWaalsContact O-N 3.1Å; G140-S142 VanDerWaalsContact C-N 3.31Å; G140-D143 VanDerWaalsContact O-CB 3.25Å; G140-D143 WeakPolarHBondContact O-CB 3.27Å; G140-D143 PolarHBondContact O-N 3.07Å; G140-A152 WeakPolarHBondContact O-CB 3.47Å
141V97Very high95.4Very high7 Ų735 Ų354%0.04221%0.207CC..Hα-helixtrans-68.4-35.1175.41720000110.8I137 R139 D143 R149 A152 L153 D156 F192I137-V141 HydrophobicContact CG2-CG2 4.14Å; I137-V141 WeakPolarHBondContact O-CG2 3.36Å; I137-V141 PolarHBondContact O-N 3.4Å; R139-V141 VanDerWaalsContact C-N 3.35Å; R139-V141 PolarHBondContact O-N 3.18Å; V141-D143 VanDerWaalsContact C-N 3.33Å; V141-R149 WeakPolarHBondContact O-CD 3.27Å; V141-R149 WeakPolarHBondContact O-CG 3.34Å; V141-A152 HydrophobicContact CG2-CB 3.93Å; V141-L153 HydrophobicContact CG1-CD2 3.9Å; V141-L153 HydrophobicContact CG1-CG 4.47Å; V141-L153 HydrophobicContact CG2-CD2 4.08Å; V141-L153 HydrophobicContact CG2-CG 4.34Å; V141-D156 HydrophobicContact CG2-CB 4.15Å; V141-F192 HydrophobicContact CB-CD2 4.1Å; V141-F192 HydrophobicContact CG1-CB 4.19Å; V141-F192 HydrophobicContact CG1-CD2 4.1Å; V141-F192 HydrophobicContact CG2-CD2 4.12Å; V141-F192 HydrophobicContact CG2-CE2 4.45Å
142S95.3Very high95.8Very high23 Ų2332.4 Ų32.416%0.16119%0.189CC..THydrogen-bonded Turntrans-88.68.4176.970.20000115.1S138 R139 G140 N186 T189S138-S142 WeakPolarHBondContact O-CB 3.45Å; S138-S142 PolarHBondContact O-N 3.3Å; S138-S142 PolarHBondContact O-OG 3.1Å; R139-S142 CarbonylContact O-C 3.52Å; R139-S142 WeakPolarHBondContact O-CA 3.35Å; R139-S142 PolarHBondContact O-N 3.02Å; R139-S142 VanDerWaalsContact O-N 3.09Å; R139-S142 PolarHBondContact O-OG 3.2Å; G140-S142 VanDerWaalsContact C-N 3.31Å; S142-N186 PolarHBondContact O-ND2 2.98Å; S142-T189 WeakPolarHBondContact CB-OG1 3.32Å
143D97Very high95.9Very high18 Ų1831.4 Ų31.410%0.09618%0.183CC..  trans-60.4141.6-174-159.7-62.9000111.6R108 R139 G140 V141 D145 V148 R149R108-D143 IonicContact CZ-OD1 3.66Å; R108-D143 IonicContact CZ-OD2 2.74Å; R108-D143 IonicContact NE-OD1 2.75Å; R108-D143 IonicContact NE-OD2 3.92Å; R108-D143 PolarHBondContact NE-OD2 3.49Å; R108-D143 IonicContact NH2-OD1 3.51Å; R108-D143 PolarHBondContact NH2-OD1 3.24Å; R108-D143 IonicContact NH2-OD2 3.98Å; R108-D143 PolarHBondContact NH2-OD2 3.3Å; R139-D143 PolarHBondContact O-N 3.09Å; G140-D143 VanDerWaalsContact O-CB 3.25Å; G140-D143 WeakPolarHBondContact O-CB 3.27Å; G140-D143 PolarHBondContact O-N 3.07Å; V141-D143 VanDerWaalsContact C-N 3.33Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 WeakPolarHBondContact OD1-CB 3.44Å; D143-D145 PolarHBondContact OD1-N 2.85Å; D143-V148 HydrophobicContact CB-CB 4.02Å; D143-V148 HydrophobicContact CB-CG1 4.03Å; D143-R149 HydrophobicContact CB-CG 4.24Å; D143-R149 WeakPolarHBondContact O-CD 3.36Å; D143-R149 WeakPolarHBondContact O-CG 3.29Å; D143-R149 PolarHBondContact O-NH1 3.12Å
144S93.6Very high96Very high112 Ų11235.7 Ų35.778%0.78320%0.203SC*.SBendtrans-63.2-32.5177.553.70000111.6R149S144-R149 PolarHBondContact O-NH1 3.1Å; S144-R149 VanDerWaalsContact O-NH1 3.09Å
145D96.4Very high96.2Very high47 Ų4735.7 Ų35.725%0.25120%0.203SC..SBendtrans-83.3126.5-178.9-165.9-70.8000112.1P105 D143 S147 V148 R149P105-D145 HydrophobicContact CB-CB 3.7Å; P105-D145 VanDerWaalsContact CB-CG 3.49Å; P105-D145 WeakPolarHBondContact CB-OD2 3.45Å; P105-D145 WeakPolarHBondContact CG-OD2 3.23Å; D143-D145 PolarHBondContact O-N 2.73Å; D143-D145 WeakPolarHBondContact OD1-CB 3.44Å; D143-D145 PolarHBondContact OD1-N 2.85Å; D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 3.2Å; D145-S147 WeakPolarHBondContact OD1-CA 3.21Å; D145-S147 VanDerWaalsContact OD1-CB 3.23Å; D145-S147 WeakPolarHBondContact OD1-CB 3.38Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 PolarHBondContact OD1-OG 2.9Å; D145-V148 HydrophobicContact CB-CG2 4.06Å; D145-V148 PolarHBondContact O-N 2.91Å; D145-R149 PolarHBondContact O-NH1 2.86Å
146S94.6Very high96.3Very high80 Ų8034.3 Ų34.356%0.55920%0.196SC*.THydrogen-bonded Turntrans-70.7-17.5-177.658.20000114.5R149 P150S146-R149 VanDerWaalsContact CA-CZ 3.48Å; S146-P150 WeakPolarHBondContact O-CD 3.28Å
147S93.5Very high96.4Very high55 Ų5542.3 Ų42.339%0.38523%0.226SC..THydrogen-bonded Turntrans-78.1-25.9176720000112.8H109 D145H109-S147 PolarHBondContact ND1-O 3Å; D145-S147 VanDerWaalsContact C-N 3.26Å; D145-S147 PolarHBondContact O-N 3.2Å; D145-S147 WeakPolarHBondContact OD1-CA 3.21Å; D145-S147 VanDerWaalsContact OD1-CB 3.23Å; D145-S147 WeakPolarHBondContact OD1-CB 3.38Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 PolarHBondContact OD1-OG 2.9Å
148V97.4Very high96.4Very high0 Ų042.8 Ų42.80%023%0.228CC..THydrogen-bonded Turntrans-79.8-45.2-179.5-176.90000111P105 R108 H109 D143 D145 S151 A152P105-V148 HydrophobicContact CB-CG2 4.2Å; P105-V148 VanDerWaalsContact O-CG2 3.27Å; P105-V148 WeakPolarHBondContact O-CG2 3.2Å; R108-V148 HydrophobicContact CB-CG1 4.22Å; R108-V148 HydrophobicContact CB-CG2 4.12Å; H109-V148 HydrophobicContact CB-CG2 4.17Å; D143-V148 HydrophobicContact CB-CB 4.02Å; D143-V148 HydrophobicContact CB-CG1 4.03Å; D145-V148 HydrophobicContact CB-CG2 4.06Å; D145-V148 PolarHBondContact O-N 2.91Å; V148-S151 PolarHBondContact O-N 3.47Å; V148-A152 PolarHBondContact O-N 2.86Å
149R97.1Very high96.3Very high39 Ų3942.8 Ų42.815%0.14723%0.228CC..Hα-helixtrans-52.1-46.9-171.8-63.8-169.7-66.6-864.9114.8V141 D143 S144 D145 S146 S151 A152 L153 Y188V141-R149 WeakPolarHBondContact O-CD 3.27Å; V141-R149 WeakPolarHBondContact O-CG 3.34Å; D143-R149 HydrophobicContact CB-CG 4.24Å; D143-R149 WeakPolarHBondContact O-CD 3.36Å; D143-R149 WeakPolarHBondContact O-CG 3.29Å; D143-R149 PolarHBondContact O-NH1 3.12Å; S144-R149 PolarHBondContact O-NH1 3.1Å; S144-R149 VanDerWaalsContact O-NH1 3.09Å; D145-R149 PolarHBondContact O-NH1 2.86Å; S146-R149 VanDerWaalsContact CA-CZ 3.48Å; R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 3.27Å; R149-A152 PolarHBondContact O-N 2.77Å; R149-L153 WeakPolarHBondContact O-CG 3.43Å; R149-L153 PolarHBondContact O-N 2.77Å; R149-Y188 PolarHBondContact NH2-OH 3.27Å
150P96Very high96.3Very high70 Ų7038.6 Ų38.646%0.45521%0.213SC..Hα-helixtrans-62.6-32.6180-23.735.1000113.6S146 Q154S146-P150 WeakPolarHBondContact O-CD 3.28Å; P150-Q154 PolarHBondContact O-N 2.94Å
151S94.3Very high96.2Very high10 Ų1042 Ų427%0.0723%0.229CC..Hα-helixtrans-75.9-39.8178.5-53.70000110.8H109 V148 R149 L153 Q154 C155H109-S151 PolarHBondContact CE1-OG 3.49Å; H109-S151 PolarHBondContact ND1-OG 2.83Å; V148-S151 PolarHBondContact O-N 3.47Å; R149-S151 VanDerWaalsContact C-N 3.27Å; R149-S151 PolarHBondContact O-N 3.27Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.19Å; S151-Q154 WeakPolarHBondContact O-CB 3.47Å; S151-Q154 PolarHBondContact O-N 3.48Å; S151-Q154 VanDerWaalsContact O-N 3.17Å; S151-C155 PolarHBondContact O-N 3.37Å; S151-C155 PolarHBondContact O-SG 3.49Å
152A97.9Very high96Very high0 Ų041.7 Ų41.70%023%0.227CC..Hα-helixtrans-63.2-36.1171.900000112.4G140 V141 V148 R149 Q154 C155 D156G140-A152 WeakPolarHBondContact O-CB 3.47Å; V141-A152 HydrophobicContact CG2-CB 3.93Å; V148-A152 PolarHBondContact O-N 2.86Å; R149-A152 PolarHBondContact O-N 2.77Å; A152-Q154 VanDerWaalsContact C-N 3.25Å; A152-Q154 PolarHBondContact O-N 3.43Å; A152-C155 WeakPolarHBondContact O-CB 3.38Å; A152-C155 PolarHBondContact O-N 3.09Å; A152-C155 VanDerWaalsContact O-N 3.12Å; A152-D156 PolarHBondContact O-N 2.86Å
153L97.5Very high95.7Very high57 Ų5740.9 Ų40.930%0.29822%0.221SC..Hα-helixtrans-64.2-27174.3-77170.1000113.2V141 R149 S151 R157V141-L153 HydrophobicContact CG1-CD2 3.9Å; V141-L153 HydrophobicContact CG1-CG 4.47Å; V141-L153 HydrophobicContact CG2-CD2 4.08Å; V141-L153 HydrophobicContact CG2-CG 4.34Å; R149-L153 WeakPolarHBondContact O-CG 3.43Å; R149-L153 PolarHBondContact O-N 2.77Å; S151-L153 VanDerWaalsContact C-N 3.31Å; S151-L153 PolarHBondContact O-N 3.19Å; L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.35Å; L153-R157 VanDerWaalsContact O-N 3.13Å
154Q97.6Very high95.2Very high90 Ų9045.3 Ų45.342%0.42124%0.242SC..Hα-helixtrans-71.3-40.5171.8-65.5173.224.500111F116 P150 S151 A152 R157 L158F116-Q154 HydrophobicContact CD2-CB 3.9Å; F116-Q154 HydrophobicContact CE2-CB 3.99Å; P150-Q154 PolarHBondContact O-N 2.94Å; S151-Q154 WeakPolarHBondContact O-CB 3.47Å; S151-Q154 PolarHBondContact O-N 3.48Å; S151-Q154 VanDerWaalsContact O-N 3.17Å; A152-Q154 VanDerWaalsContact C-N 3.25Å; A152-Q154 PolarHBondContact O-N 3.43Å; Q154-R157 PolarHBondContact O-N 3.37Å; Q154-L158 WeakPolarHBondContact O-CB 3.44Å; Q154-L158 PolarHBondContact O-N 3.06Å
155C98Very high94.9Very high0 Ų045.3 Ų45.30%023%0.23CC..Hα-helixtrans-62.1-44.2173.2-55.50000111.2C112 I137 S151 A152 R157 L158 L159C112-C155 PolarHBondContact O-SG 3.13Å; I137-C155 HydrophobicContact CD1-CB 3.74Å; I137-C155 HydrophobicContact CG1-CB 3.74Å; S151-C155 PolarHBondContact O-N 3.37Å; S151-C155 PolarHBondContact O-SG 3.49Å; A152-C155 WeakPolarHBondContact O-CB 3.38Å; A152-C155 PolarHBondContact O-N 3.09Å; A152-C155 VanDerWaalsContact O-N 3.12Å; C155-R157 PolarHBondContact O-N 3.42Å; C155-L158 PolarHBondContact O-N 3.11Å; C155-L159 WeakPolarHBondContact O-CB 3.25Å; C155-L159 PolarHBondContact O-N 3.32Å
156D97.8Very high94.2Very high9 Ų944.9 Ų44.95%0.04823%0.229CC..Hα-helixtrans-56.4-49.3176.6175.767.4000112.3I137 V141 A152 L159 K160 F192 W196I137-D156 HydrophobicContact CG2-CB 3.7Å; V141-D156 HydrophobicContact CG2-CB 4.15Å; A152-D156 PolarHBondContact O-N 2.86Å; D156-L159 PolarHBondContact O-N 3.4Å; D156-K160 VanDerWaalsContact CG-NZ 3.31Å; D156-K160 WeakPolarHBondContact O-CG 3.45Å; D156-K160 PolarHBondContact O-N 2.71Å; D156-K160 VanDerWaalsContact O-N 3.09Å; D156-K160 IonicContact OD1-NZ 3.61Å; D156-K160 PolarHBondContact OD1-NZ 3.35Å; D156-K160 VanDerWaalsContact OD1-NZ 3.14Å; D156-K160 IonicContact OD2-NZ 2.8Å; D156-K160 PolarHBondContact OD2-NZ 3.17Å; D156-F192 VanDerWaalsContact OD1-CE2 3.26Å; D156-F192 WeakPolarHBondContact OD1-CE2 3.48Å; D156-W196 PolarHBondContact OD1-NE1 3.28Å
157R97.6Very high93Very high168 Ų16850.4 Ų50.463%0.63425%0.246SC*.Hα-helixtrans-62.5-44177.4-70.6170.3-171.7169.42.3111.9L153 Q154 C155 K160 E161L153-R157 VanDerWaalsContact O-CG 3.28Å; L153-R157 WeakPolarHBondContact O-CG 3.28Å; L153-R157 PolarHBondContact O-N 3.35Å; L153-R157 VanDerWaalsContact O-N 3.13Å; Q154-R157 PolarHBondContact O-N 3.37Å; C155-R157 PolarHBondContact O-N 3.42Å; R157-K160 PolarHBondContact O-N 2.88Å; R157-E161 PolarHBondContact O-N 3.37Å
158L97.6Very high91.7Very high10 Ų1050.1 Ų50.15%0.05224%0.239CC..Hα-helixtrans-66.8-38178.9-17860.7000111.9F116 M119 K120 Q154 C155 K160 E161 I162F116-L158 HydrophobicContact CD2-CB 4.15Å; F116-L158 HydrophobicContact CD2-CD2 3.66Å; F116-L158 HydrophobicContact CE2-CB 3.96Å; F116-L158 HydrophobicContact CE2-CD2 3.7Å; F116-L158 HydrophobicContact CE2-CG 4.39Å; F116-L158 HydrophobicContact CG-CD2 4.29Å; F116-L158 HydrophobicContact CZ-CD2 4.35Å; F116-L158 WeakPolarHBondContact O-CD2 3.27Å; M119-L158 HydrophobicContact CB-CD2 3.8Å; M119-L158 HydrophobicContact CB-CG 4.49Å; M119-L158 HydrophobicContact CE-CG 4.31Å; K120-L158 HydrophobicContact CB-CD2 4.18Å; Q154-L158 WeakPolarHBondContact O-CB 3.44Å; Q154-L158 PolarHBondContact O-N 3.06Å; C155-L158 PolarHBondContact O-N 3.11Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 2.99Å; L158-E161 WeakPolarHBondContact O-CB 3.43Å; L158-E161 PolarHBondContact O-N 2.89Å; L158-I162 HydrophobicContact CD1-CD1 4.35Å; L158-I162 HydrophobicContact CD1-CG1 4.41Å; L158-I162 HydrophobicContact CG-CD1 4.01Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.15Å; L158-I162 PolarHBondContact O-N 3.31Å
159L95.4Very high90Very high0 Ų056.6 Ų56.60%028%0.283CS..Hα-helixtrans-62.9-43.3175.7-171.661.2000111M119 L130 V133 L134 I137 C155 D156 E161 I162 I163 W196M119-L159 HydrophobicContact CE-CB 3.73Å; M119-L159 HydrophobicContact CE-CD1 3.81Å; M119-L159 HydrophobicContact CE-CG 4.34Å; L130-L159 HydrophobicContact CD1-CD1 4.24Å; L130-L159 HydrophobicContact CD1-CD2 4.3Å; V133-L159 HydrophobicContact CG1-CD1 4.14Å; V133-L159 HydrophobicContact CG1-CD2 4.21Å; L134-L159 HydrophobicContact CB-CD2 4.39Å; L134-L159 HydrophobicContact CD1-CD2 3.87Å; I137-L159 HydrophobicContact CD1-CB 3.99Å; I137-L159 HydrophobicContact CD1-CD2 3.87Å; I137-L159 HydrophobicContact CD1-CG 4.46Å; C155-L159 WeakPolarHBondContact O-CB 3.25Å; C155-L159 PolarHBondContact O-N 3.32Å; D156-L159 PolarHBondContact O-N 3.4Å; L159-E161 VanDerWaalsContact C-N 3.33Å; L159-E161 PolarHBondContact O-N 3.45Å; L159-I162 PolarHBondContact O-N 3.03Å; L159-I163 HydrophobicContact CD1-CD1 4.32Å; L159-I163 HydrophobicContact CD2-CD1 4.46Å; L159-I163 HydrophobicContact CG-CD1 3.92Å; L159-I163 WeakPolarHBondContact O-CB 3.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.39Å; L159-I163 PolarHBondContact O-N 3.12Å; L159-W196 HydrophobicContact CB-CH2 4.21Å; L159-W196 HydrophobicContact CB-CZ2 4.3Å; L159-W196 HydrophobicContact CD2-CH2 3.7Å; L159-W196 HydrophobicContact CD2-CZ2 3.81Å; L159-W196 HydrophobicContact CG-CH2 3.82Å; L159-W196 HydrophobicContact CG-CZ2 4.23Å
160K93.8Very high88.8Confident14 Ų1459.4 Ų59.46%0.06130%0.301CS..Hα-helixtrans-60.4-42.9175.2-71.5171.1176.8152.10111.6D156 R157 L158 I163 M164 S195 W196 T199D156-K160 VanDerWaalsContact CG-NZ 3.31Å; D156-K160 WeakPolarHBondContact O-CG 3.45Å; D156-K160 PolarHBondContact O-N 2.71Å; D156-K160 VanDerWaalsContact O-N 3.09Å; D156-K160 IonicContact OD1-NZ 3.61Å; D156-K160 PolarHBondContact OD1-NZ 3.35Å; D156-K160 VanDerWaalsContact OD1-NZ 3.14Å; D156-K160 IonicContact OD2-NZ 2.8Å; D156-K160 PolarHBondContact OD2-NZ 3.17Å; R157-K160 PolarHBondContact O-N 2.88Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 2.99Å; K160-I163 PolarHBondContact O-N 3.3Å; K160-M164 WeakPolarHBondContact O-CB 3.25Å; K160-M164 WeakPolarHBondContact O-CE 3.26Å; K160-M164 VanDerWaalsContact O-CG 3.28Å; K160-M164 WeakPolarHBondContact O-CG 3.46Å; K160-M164 PolarHBondContact O-N 3.04Å; K160-S195 PolarHBondContact NZ-OG 3.33Å; K160-W196 HydrophobicContact CD-CZ2 4.42Å; K160-W196 VanDerWaalsContact CE-CE2 3.41Å; K160-W196 HydrophobicContact CG-CD2 4.44Å; K160-W196 HydrophobicContact CG-CE3 4.35Å; K160-W196 HydrophobicContact CG-CH2 3.62Å; K160-W196 HydrophobicContact CG-CZ2 3.71Å; K160-W196 HydrophobicContact CG-CZ3 3.95Å; K160-T199 HydrophobicContact CB-CG2 4.03Å; K160-T199 HydrophobicContact CD-CG2 4.12Å; K160-T199 WeakPolarHBondContact CD-OG1 3.17Å; K160-T199 WeakPolarHBondContact CE-OG1 3.49Å; K160-T199 HydrophobicContact CG-CG2 3.91Å
161E94.1Very high87.8Confident74 Ų7456.6 Ų56.635%0.34628%0.282SS..Hα-helixtrans-57.3-52.3173.4-178.1-174.5133.700111.3R123 R157 L158 L159 I163 M164 E165R123-E161 IonicContact CZ-OE1 2.82Å; R123-E161 IonicContact NH2-OE1 2.67Å; R123-E161 PolarHBondContact NH2-OE1 2.98Å; R157-E161 PolarHBondContact O-N 3.37Å; L158-E161 WeakPolarHBondContact O-CB 3.43Å; L158-E161 PolarHBondContact O-N 2.89Å; L159-E161 VanDerWaalsContact C-N 3.33Å; L159-E161 PolarHBondContact O-N 3.45Å; E161-I163 VanDerWaalsContact C-N 3.32Å; E161-I163 PolarHBondContact O-N 3.44Å; E161-M164 PolarHBondContact O-N 2.76Å; E161-M164 VanDerWaalsContact O-N 3.15Å; E161-E165 WeakPolarHBondContact O-CG 3.32Å; E161-E165 PolarHBondContact O-N 2.85Å
162I92.9Very high87.2Confident0 Ų059.3 Ų59.30%030%0.299CS..Hα-helixtrans-59.2-41.9179.7-67.3165.2000111.7M119 R123 L127 L158 L159 E165 T166M119-I162 HydrophobicContact CB-CD1 4.11Å; M119-I162 HydrophobicContact CE-CD1 3.82Å; R123-I162 HydrophobicContact CB-CD1 4.48Å; R123-I162 HydrophobicContact CB-CG1 4.24Å; R123-I162 HydrophobicContact CB-CG2 4.5Å; R123-I162 HydrophobicContact CG-CD1 4.32Å; R123-I162 HydrophobicContact CG-CG1 4.1Å; R123-I162 VanDerWaalsContact O-CG2 3.31Å; R123-I162 WeakPolarHBondContact O-CG2 3.46Å; L127-I162 HydrophobicContact CD1-CG2 4.28Å; L127-I162 HydrophobicContact CD2-CG2 3.99Å; L127-I162 HydrophobicContact CG-CG2 4.08Å; L158-I162 HydrophobicContact CD1-CD1 4.35Å; L158-I162 HydrophobicContact CD1-CG1 4.41Å; L158-I162 HydrophobicContact CG-CD1 4.01Å; L158-I162 VanDerWaalsContact O-CG1 3.28Å; L158-I162 WeakPolarHBondContact O-CG1 3.15Å; L158-I162 PolarHBondContact O-N 3.31Å; L159-I162 PolarHBondContact O-N 3.03Å; I162-E165 PolarHBondContact O-N 2.97Å; I162-T166 PolarHBondContact O-N 3.35Å; I162-T166 PolarHBondContact O-OG1 2.83Å
163I89.2Confident86.5Confident5 Ų562.6 Ų62.63%0.02632%0.316CS..Hα-helixtrans-66.1-41178-73.5168.8000111.2L127 L130 L159 K160 E161 E165 T166 I168 I174 W196 I203L127-I163 HydrophobicContact CD2-CG1 3.92Å; L130-I163 HydrophobicContact CD1-CD1 3.9Å; L159-I163 HydrophobicContact CD1-CD1 4.32Å; L159-I163 HydrophobicContact CD2-CD1 4.46Å; L159-I163 HydrophobicContact CG-CD1 3.92Å; L159-I163 WeakPolarHBondContact O-CB 3.37Å; L159-I163 WeakPolarHBondContact O-CG1 3.39Å; L159-I163 PolarHBondContact O-N 3.12Å; K160-I163 PolarHBondContact O-N 3.3Å; E161-I163 VanDerWaalsContact C-N 3.32Å; E161-I163 PolarHBondContact O-N 3.44Å; I163-E165 VanDerWaalsContact C-N 3.3Å; I163-E165 PolarHBondContact O-N 3.19Å; I163-T166 PolarHBondContact O-N 3.1Å; I163-T166 VanDerWaalsContact O-O 3.12Å; I163-T166 PolarHBondContact O-OG1 3.4Å; I163-I168 HydrophobicContact CB-CD1 4.14Å; I163-I168 HydrophobicContact CG1-CD1 3.82Å; I163-I168 HydrophobicContact CG2-CD1 4.06Å; I163-I174 HydrophobicContact CD1-CD1 3.87Å; I163-W196 HydrophobicContact CD1-CH2 3.6Å; I163-W196 HydrophobicContact CD1-CZ3 3.57Å; I163-I203 HydrophobicContact CG2-CD1 4.07Å
164M87Confident86.1Confident112 Ų11259.9 Ų59.955%0.55230%0.302SS*.Hα-helixtrans-70.3-25.9177.7-71.2-175.5-62.800113.1K160 E161 T166 T199 I203K160-M164 WeakPolarHBondContact O-CB 3.25Å; K160-M164 WeakPolarHBondContact O-CE 3.26Å; K160-M164 VanDerWaalsContact O-CG 3.28Å; K160-M164 WeakPolarHBondContact O-CG 3.46Å; K160-M164 PolarHBondContact O-N 3.04Å; E161-M164 PolarHBondContact O-N 2.76Å; E161-M164 VanDerWaalsContact O-N 3.15Å; M164-T166 VanDerWaalsContact C-N 3.31Å; M164-T199 HydrophobicContact SD-CG2 4.24Å; M164-I203 HydrophobicContact CG-CG1 4.5Å
165E87.4Confident85.5Confident111 Ų11156 Ų5652%0.51928%0.284SS..Hα-helixtrans-76.5-16.8175.9-73.9174.7178.300113.5R123 E161 I162 I163R123-E165 IonicContact NE-OE2 3.47Å; E161-E165 WeakPolarHBondContact O-CG 3.32Å; E161-E165 PolarHBondContact O-N 2.85Å; I162-E165 PolarHBondContact O-N 2.97Å; I163-E165 VanDerWaalsContact C-N 3.3Å; I163-E165 PolarHBondContact O-N 3.19Å
166T80.7Confident85.1Confident38 Ų3860 Ų6023%0.23331%0.306CS..SBendtrans-113.9139.5-171.246.80000111.7L127 I162 I163 M164 I168L127-T166 HydrophobicContact CD1-CG2 3.79Å; L127-T166 WeakPolarHBondContact CD1-OG1 3.49Å; I162-T166 PolarHBondContact O-N 3.35Å; I162-T166 PolarHBondContact O-OG1 2.83Å; I163-T166 PolarHBondContact O-N 3.1Å; I163-T166 VanDerWaalsContact O-O 3.12Å; I163-T166 PolarHBondContact O-OG1 3.4Å; M164-T166 VanDerWaalsContact C-N 3.31Å; T166-I168 PolarHBondContact O-N 3.29Å; T166-I168 WeakPolarHBondContact OG1-CD1 3.23Å; T166-I168 VanDerWaalsContact OG1-CG1 3.25Å; T166-I168 WeakPolarHBondContact OG1-CG1 3.45Å
167E70.7Confident84.8Confident197 Ų19760.2 Ų60.292%0.92131%0.306SS*.  trans-75.867.6171.7-65179.3-178.600109.6C169E167-C169 PolarHBondContact O-N 3.36Å
168I65.4Low84.6Confident48 Ų4852.2 Ų52.225%0.24628%0.276CS..  trans-74.4125178.2-57.1176.4000109.2L127 I163 T166 D170 L171L127-I168 HydrophobicContact CD1-CD1 3.64Å; L127-I168 HydrophobicContact CD1-CG1 3.97Å; L127-I168 HydrophobicContact CD2-CD1 3.78Å; L127-I168 HydrophobicContact CG-CD1 4.29Å; I163-I168 HydrophobicContact CB-CD1 4.14Å; I163-I168 HydrophobicContact CG1-CD1 3.82Å; I163-I168 HydrophobicContact CG2-CD1 4.06Å; T166-I168 PolarHBondContact O-N 3.29Å; T166-I168 WeakPolarHBondContact OG1-CD1 3.23Å; T166-I168 VanDerWaalsContact OG1-CG1 3.25Å; T166-I168 WeakPolarHBondContact OG1-CG1 3.45Å; I168-D170 WeakPolarHBondContact CG2-O 3.49Å; I168-L171 HydrophobicContact CB-CD2 4.31Å; I168-L171 HydrophobicContact CG2-CD2 3.84Å
169C61.8Low84.3Confident136 Ų13655.7 Ų55.792%0.91929%0.291SS*.  trans-88.4-28177.4-61.50000114.2E167E167-C169 PolarHBondContact O-N 3.36Å
170D72.3Confident84.1Confident98 Ų9862.2 Ų62.252%0.52432%0.322SS..  trans-116112.5-174.9-168.23.2000111.8I168 T172I168-D170 WeakPolarHBondContact CG2-O 3.49Å; D170-T172 WeakPolarHBondContact OD1-CB 3.35Å; D170-T172 PolarHBondContact OD1-N 2.58Å; D170-T172 PolarHBondContact OD1-OG1 2.71Å
171L74.8Confident84.1Confident11 Ų1163 Ų636%0.05832%0.324CS..  trans-108.912.6178.1-56.3177.5000112I168 D173 I174 V175 L200 L206I168-L171 HydrophobicContact CB-CD2 4.31Å; I168-L171 HydrophobicContact CG2-CD2 3.84Å; L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 2.98Å; L171-I174 HydrophobicContact CD2-CD1 3.9Å; L171-I174 PolarHBondContact O-N 3.07Å; L171-I174 VanDerWaalsContact O-N 3.11Å; L171-V175 PolarHBondContact O-N 3.33Å; L171-L200 HydrophobicContact CD1-CD2 4.09Å; L171-L206 HydrophobicContact CD1-CD1 3.36Å; L171-L206 HydrophobicContact CD1-CD2 3.24Å; L171-L206 HydrophobicContact CD1-CG 3.88Å; L171-L206 HydrophobicContact CG-CD1 4.46Å
172T81.1Confident84.2Confident68 Ų6859.5 Ų59.542%0.41731%0.308SS..Hα-helixtrans-56.4-42.4-177.4-58.70000111.4D170 I174 V175 L176D170-T172 WeakPolarHBondContact OD1-CB 3.35Å; D170-T172 PolarHBondContact OD1-N 2.58Å; D170-T172 PolarHBondContact OD1-OG1 2.71Å; T172-I174 VanDerWaalsContact C-N 3.34Å; T172-I174 PolarHBondContact O-N 3.13Å; T172-V175 PolarHBondContact O-N 3.01Å; T172-L176 VanDerWaalsContact O-CB 3.27Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.34Å
173D83.1Confident84.3Confident68 Ų6863.9 Ų63.936%0.36433%0.325SS..Hα-helixtrans-61.4-40.9178.4-71.3-20.8000112.6L171 L177L171-D173 VanDerWaalsContact C-N 3.27Å; L171-D173 PolarHBondContact O-N 2.98Å; D173-L177 PolarHBondContact O-N 2.77Å; D173-L177 VanDerWaalsContact O-N 3.12Å
174I89Confident84.5Confident0 Ų065.9 Ų65.90%034%0.338CS..Hα-helixtrans-66.3-50.1179-51.9-173.2000109.4L130 L134 I163 L171 T172 L176 L177 L178 W196 L200L130-I174 HydrophobicContact CD2-CD1 4.11Å; L130-I174 HydrophobicContact CD2-CG1 3.96Å; L130-I174 HydrophobicContact CG-CG1 4.4Å; L134-I174 HydrophobicContact CD2-CB 4.05Å; L134-I174 HydrophobicContact CD2-CG1 4.06Å; L134-I174 HydrophobicContact CD2-CG2 3.88Å; I163-I174 HydrophobicContact CD1-CD1 3.87Å; L171-I174 HydrophobicContact CD2-CD1 3.9Å; L171-I174 PolarHBondContact O-N 3.07Å; L171-I174 VanDerWaalsContact O-N 3.11Å; T172-I174 VanDerWaalsContact C-N 3.34Å; T172-I174 PolarHBondContact O-N 3.13Å; I174-L176 VanDerWaalsContact C-N 3.31Å; I174-L176 PolarHBondContact O-N 2.95Å; I174-L177 PolarHBondContact O-N 2.87Å; I174-L178 HydrophobicContact CG2-CD1 3.99Å; I174-L178 HydrophobicContact CG2-CG 4.34Å; I174-L178 VanDerWaalsContact O-CG 3.25Å; I174-L178 WeakPolarHBondContact O-CG 3.29Å; I174-L178 PolarHBondContact O-N 2.79Å; I174-W196 HydrophobicContact CD1-CZ3 4.32Å; I174-W196 HydrophobicContact CG2-CE3 4.16Å; I174-L200 HydrophobicContact CD1-CD2 4.28Å; I174-L200 HydrophobicContact CG2-CD1 4.04Å; I174-L200 HydrophobicContact CG2-CD2 4.49Å
175V86.4Confident84.7Confident9 Ų967.1 Ų67.16%0.05535%0.346CS..Hα-helixtrans-62.8-39.9-178.7177.10000111.1L171 T172 L178 K179 Y211L171-V175 PolarHBondContact O-N 3.33Å; T172-V175 PolarHBondContact O-N 3.01Å; V175-L178 PolarHBondContact O-N 2.53Å; V175-K179 VanDerWaalsContact O-CB 3.31Å; V175-K179 WeakPolarHBondContact O-CB 3.22Å; V175-K179 PolarHBondContact O-N 2.81Å; V175-Y211 HydrophobicContact CB-CD1 4.1Å; V175-Y211 HydrophobicContact CB-CE1 4.35Å; V175-Y211 HydrophobicContact CB-CG 4.34Å; V175-Y211 HydrophobicContact CG1-CD1 3.59Å; V175-Y211 HydrophobicContact CG1-CE1 4.28Å; V175-Y211 HydrophobicContact CG1-CG 3.85Å; V175-Y211 HydrophobicContact CG2-CD1 3.92Å; V175-Y211 HydrophobicContact CG2-CD2 3.87Å; V175-Y211 HydrophobicContact CG2-CE1 4.13Å; V175-Y211 HydrophobicContact CG2-CE2 4.11Å; V175-Y211 HydrophobicContact CG2-CG 3.75Å
176L88.5Confident85Confident85 Ų8564.3 Ų64.345%0.44534%0.335SS..Hα-helixtrans-59.6-49.3177.5-176.364.2000111.1T172 I174 L178 K179 E180T172-L176 VanDerWaalsContact O-CB 3.27Å; T172-L176 WeakPolarHBondContact O-CB 3.41Å; T172-L176 PolarHBondContact O-N 3.34Å; I174-L176 VanDerWaalsContact C-N 3.31Å; I174-L176 PolarHBondContact O-N 2.95Å; L176-L178 PolarHBondContact O-N 3.47Å; L176-K179 PolarHBondContact O-N 2.76Å; L176-E180 WeakPolarHBondContact O-CG 3.49Å; L176-E180 PolarHBondContact O-N 3.37Å
177L92.3Very high85.6Confident12 Ų1265.1 Ų65.16%0.06334%0.341CS..Hα-helixtrans-62.2-42.1177.7-178.4149.9000112.2L134 D135 D173 I174 E180 R181 F192L134-L177 HydrophobicContact CB-CD1 4.13Å; L134-L177 HydrophobicContact CD2-CB 4.11Å; L134-L177 HydrophobicContact CD2-CD1 3.91Å; L134-L177 HydrophobicContact CD2-CD2 4.08Å; L134-L177 HydrophobicContact CD2-CG 4.26Å; L134-L177 HydrophobicContact CG-CD1 3.77Å; L134-L177 HydrophobicContact CG-CD2 4.12Å; L134-L177 HydrophobicContact CG-CG 4.46Å; D135-L177 HydrophobicContact CB-CD1 3.99Å; D173-L177 PolarHBondContact O-N 2.77Å; D173-L177 VanDerWaalsContact O-N 3.12Å; I174-L177 PolarHBondContact O-N 2.87Å; L177-E180 PolarHBondContact O-N 3.25Å; L177-R181 WeakPolarHBondContact O-CG 3.47Å; L177-R181 PolarHBondContact O-N 3.45Å; L177-F192 HydrophobicContact CD2-CE1 4.18Å
178L94Very high86.7Confident0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-63-44.4177.9-67.2176000111.1I174 V175 L176 E180 R181 I182 F192 I193 W196 I197 L200 L215I174-L178 HydrophobicContact CG2-CD1 3.99Å; I174-L178 HydrophobicContact CG2-CG 4.34Å; I174-L178 VanDerWaalsContact O-CG 3.25Å; I174-L178 WeakPolarHBondContact O-CG 3.29Å; I174-L178 PolarHBondContact O-N 2.79Å; V175-L178 PolarHBondContact O-N 2.53Å; L176-L178 PolarHBondContact O-N 3.47Å; L178-E180 PolarHBondContact O-N 3.01Å; L178-R181 PolarHBondContact O-N 3.27Å; L178-I182 WeakPolarHBondContact O-CB 3.48Å; L178-I182 PolarHBondContact O-N 3.2Å; L178-F192 HydrophobicContact CD2-CE1 4.4Å; L178-I193 HydrophobicContact CD2-CB 4.27Å; L178-I193 HydrophobicContact CD2-CG1 4Å; L178-I193 HydrophobicContact CD2-CG2 4.23Å; L178-W196 HydrophobicContact CD1-CB 4.13Å; L178-W196 HydrophobicContact CD2-CB 3.81Å; L178-W196 HydrophobicContact CD2-CG 4.39Å; L178-I197 HydrophobicContact CD1-CG1 3.96Å; L178-L200 HydrophobicContact CD1-CD1 4Å; L178-L215 HydrophobicContact CB-CD2 4.42Å
179K91.4Very high88.2Confident83 Ų8358.4 Ų58.436%0.36131%0.305SS..Hα-helixtrans-59.6-44.8177.4178.5-174.7177.8178.10112.2V175 L176 R181 I182 Q214 L215V175-K179 VanDerWaalsContact O-CB 3.31Å; V175-K179 WeakPolarHBondContact O-CB 3.22Å; V175-K179 PolarHBondContact O-N 2.81Å; L176-K179 PolarHBondContact O-N 2.76Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.23Å; K179-I182 WeakPolarHBondContact O-CG2 3.36Å; K179-Q214 HydrophobicContact CD-CB 4.36Å; K179-L215 HydrophobicContact CB-CD2 4.49Å
180E90.8Very high89.8Confident138 Ų13853.1 Ų53.165%0.64527%0.266SS*.Hα-helixtrans-64.6-33.1179.9-72.7-179.5175.500112.7L176 L177 L178L176-E180 WeakPolarHBondContact O-CG 3.49Å; L176-E180 PolarHBondContact O-N 3.37Å; L177-E180 PolarHBondContact O-N 3.25Å; L178-E180 PolarHBondContact O-N 3.01Å
181R94.1Very high90.9Very high31 Ų3152.3 Ų52.312%0.11726%0.259CS..Hα-helixtrans-98.4-10.3-172.8-64.1-178.2178.1-145.60.4114.3D135 S138 L177 L178 K179 Y183 T184 T189 I193D135-R181 IonicContact OD1-CZ 2.78Å; D135-R181 IonicContact OD1-NH2 2.65Å; D135-R181 PolarHBondContact OD1-NH2 2.93Å; D135-R181 IonicContact OD2-NH2 3.51Å; S138-R181 PolarHBondContact OG-NH1 3.15Å; L177-R181 WeakPolarHBondContact O-CG 3.47Å; L177-R181 PolarHBondContact O-N 3.45Å; L178-R181 PolarHBondContact O-N 3.27Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 3.23Å; R181-Y183 PolarHBondContact O-N 3.36Å; R181-Y183 VanDerWaalsContact O-N 3.13Å; R181-T184 WeakPolarHBondContact O-CB 3.31Å; R181-T184 VanDerWaalsContact O-CG2 3.25Å; R181-T184 WeakPolarHBondContact O-CG2 3.39Å; R181-T184 PolarHBondContact O-N 3.46Å; R181-T184 VanDerWaalsContact O-N 3.12Å; R181-T184 PolarHBondContact O-OG1 2.88Å; R181-T189 HydrophobicContact CB-CG2 4.11Å; R181-I193 HydrophobicContact CB-CD1 4.2Å; R181-I193 WeakPolarHBondContact O-CD1 3.3Å
182I95.4Very high92Very high0 Ų052 Ų520%026%0.257CS..THydrogen-bonded Turntrans-61.3-25.5-173.6-156.5166.2000114.2L178 K179 I193 L215 L219 I222L178-I182 WeakPolarHBondContact O-CB 3.48Å; L178-I182 PolarHBondContact O-N 3.2Å; K179-I182 WeakPolarHBondContact O-CG2 3.36Å; I182-I193 HydrophobicContact CB-CD1 4.41Å; I182-I193 HydrophobicContact CD1-CG2 4.22Å; I182-I193 HydrophobicContact CG1-CG2 4.08Å; I182-L215 HydrophobicContact CD1-CB 4.38Å; I182-L215 HydrophobicContact CD1-CD2 4.25Å; I182-L215 WeakPolarHBondContact CD1-O 3.47Å; I182-L219 HydrophobicContact CD1-CG 4.28Å; I182-I222 HydrophobicContact CG1-CD1 3.91Å
183Y95.1Very high92.7Very high91 Ų9148.8 Ų48.836%0.35724%0.238SC..THydrogen-bonded Turntrans-88.51.9-178.7-64.8-68.8000114.9R181 D217R181-Y183 PolarHBondContact O-N 3.36Å; R181-Y183 VanDerWaalsContact O-N 3.13Å; Y183-D217 WeakPolarHBondContact CE1-OD2 3.31Å; Y183-D217 PolarHBondContact OH-OD2 3.39Å
184T93.1Very high93.4Very high48 Ų4845.6 Ų45.629%0.29422%0.22SC..  trans-67.9154.9177.959.10000111.8R181 T189 R190R181-T184 WeakPolarHBondContact O-CB 3.31Å; R181-T184 VanDerWaalsContact O-CG2 3.25Å; R181-T184 WeakPolarHBondContact O-CG2 3.39Å; R181-T184 PolarHBondContact O-N 3.46Å; R181-T184 VanDerWaalsContact O-N 3.12Å; R181-T184 PolarHBondContact O-OG1 2.88Å; T184-T189 HydrophobicContact CG2-CG2 4.41Å; T184-T189 WeakPolarHBondContact OG1-CB 3.47Å; T184-T189 VanDerWaalsContact OG1-CG2 3.31Å; T184-T189 WeakPolarHBondContact OG1-CG2 3.31Å; T184-R190 VanDerWaalsContact O-CZ 3.31Å; T184-R190 PolarHBondContact O-NE 3.46Å; T184-R190 PolarHBondContact O-NH2 2.73Å
185N91.2Very high93.7Very high137 Ų13747.4 Ų47.473%0.73323%0.233SC*.  trans-95.3-1.6175-69.3-34.3000113.4R190N185-R190 PolarHBondContact OD1-NH2 3.07Å
186N93.1Very high94.1Very high53 Ų5347 Ų4728%0.28323%0.231SC..  trans-75120.6-178.8-178.1-27.4000109.8S142 Y188 T189 R190S142-N186 PolarHBondContact O-ND2 2.98Å; N186-Y188 VanDerWaalsContact C-N 3.27Å; N186-Y188 PolarHBondContact O-N 3.23Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.3Å; N186-Y188 WeakPolarHBondContact OD1-CD2 3.34Å; N186-Y188 PolarHBondContact OD1-N 3.03Å; N186-T189 WeakPolarHBondContact CB-OG1 3.38Å; N186-T189 PolarHBondContact O-N 3.03Å; N186-T189 VanDerWaalsContact O-N 3.17Å; N186-R190 WeakPolarHBondContact O-CG 3.11Å; N186-R190 PolarHBondContact O-N 3.41Å
187P93.1Very high94.4Very high54 Ų5443 Ų4335%0.35121%0.21SC..Hα-helixtrans-63.2-32-176.425.6-35000112.8R190 Q191P187-R190 PolarHBondContact O-N 2.86Å; P187-Q191 WeakPolarHBondContact O-CB 3.47Å; P187-Q191 PolarHBondContact O-N 2.93Å
188Y95.5Very high94.5Very high98 Ų9844.7 Ų44.738%0.38422%0.222SC..Hα-helixtrans-70.7-38.3177.5-57.8-70000111.6R149 N186 F192R149-Y188 PolarHBondContact NH2-OH 3.27Å; N186-Y188 VanDerWaalsContact C-N 3.27Å; N186-Y188 PolarHBondContact O-N 3.23Å; N186-Y188 WeakPolarHBondContact OD1-CB 3.3Å; N186-Y188 WeakPolarHBondContact OD1-CD2 3.34Å; N186-Y188 PolarHBondContact OD1-N 3.03Å; Y188-F192 VanDerWaalsContact O-CB 3.31Å; Y188-F192 WeakPolarHBondContact O-CB 3.31Å; Y188-F192 PolarHBondContact O-N 3.36Å
189T95.6Very high94.4Very high7 Ų745.7 Ų45.74%0.04323%0.228CC..Hα-helixtrans-65.5-44.3173.9-50.20000110.7S142 R181 T184 N186 Q191 F192 I193S142-T189 WeakPolarHBondContact CB-OG1 3.32Å; R181-T189 HydrophobicContact CB-CG2 4.11Å; T184-T189 HydrophobicContact CG2-CG2 4.41Å; T184-T189 WeakPolarHBondContact OG1-CB 3.47Å; T184-T189 VanDerWaalsContact OG1-CG2 3.31Å; T184-T189 WeakPolarHBondContact OG1-CG2 3.31Å; N186-T189 WeakPolarHBondContact CB-OG1 3.38Å; N186-T189 PolarHBondContact O-N 3.03Å; N186-T189 VanDerWaalsContact O-N 3.17Å; T189-Q191 PolarHBondContact O-N 2.91Å; T189-F192 WeakPolarHBondContact O-CB 3.1Å; T189-F192 PolarHBondContact O-N 3.15Å; T189-I193 HydrophobicContact CG2-CD1 4.02Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.47Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.48Å; T189-I193 PolarHBondContact O-N 3.48Å
190R96.4Very high94.3Very high24 Ų2442 Ų429%0.09121%0.213CC..Hα-helixtrans-62.1-43.6176.6-67.5178.8172.3-171-2.7112.4T184 N185 N186 P187 F192 I193 V194 I222 D225 L230T184-R190 VanDerWaalsContact O-CZ 3.31Å; T184-R190 PolarHBondContact O-NE 3.46Å; T184-R190 PolarHBondContact O-NH2 2.73Å; N185-R190 PolarHBondContact OD1-NH2 3.07Å; N186-R190 WeakPolarHBondContact O-CG 3.11Å; N186-R190 PolarHBondContact O-N 3.41Å; P187-R190 PolarHBondContact O-N 2.86Å; R190-F192 VanDerWaalsContact C-N 3.35Å; R190-I193 PolarHBondContact O-N 2.86Å; R190-V194 WeakPolarHBondContact O-CG2 3.38Å; R190-V194 PolarHBondContact O-N 3.14Å; R190-I222 HydrophobicContact CB-CD1 4.12Å; R190-I222 HydrophobicContact CB-CG1 4.13Å; R190-I222 HydrophobicContact CB-CG2 4.22Å; R190-I222 HydrophobicContact CG-CD1 4.17Å; R190-I222 HydrophobicContact CG-CG1 3.9Å; R190-D225 WeakPolarHBondContact CD-OD2 3.36Å; R190-D225 IonicContact CZ-OD2 3.27Å; R190-D225 IonicContact NE-OD2 3.64Å; R190-D225 IonicContact NH1-OD2 3.09Å; R190-D225 PolarHBondContact NH1-OD2 3.3Å; R190-L230 HydrophobicContact CB-CD2 3.65Å
191Q96.1Very high94.2Very high81 Ų8139.5 Ų39.538%0.37920%0.198SC..Hα-helixtrans-62.3-42.2174.4-177.7177.3-1000111.9P187 T189 I193 S195 L230P187-Q191 WeakPolarHBondContact O-CB 3.47Å; P187-Q191 PolarHBondContact O-N 2.93Å; T189-Q191 PolarHBondContact O-N 2.91Å; Q191-I193 VanDerWaalsContact C-N 3.33Å; Q191-I193 PolarHBondContact O-N 2.75Å; Q191-S195 VanDerWaalsContact O-CB 3.22Å; Q191-S195 WeakPolarHBondContact O-CB 3.33Å; Q191-S195 PolarHBondContact O-N 3.26Å; Q191-L230 HydrophobicContact CB-CD1 4.17Å
192F96.6Very high94Very high6 Ų641.4 Ų41.43%0.02622%0.22CC..Hα-helixtrans-55.9-49173.3175.2-89.2000110.6L134 I137 S138 V141 D156 L177 L178 Y188 T189 R190 S195 W196L134-F192 HydrophobicContact CD1-CZ 3.9Å; I137-F192 HydrophobicContact CG2-CE2 4.04Å; S138-F192 VanDerWaalsContact CB-CE1 3.45Å; S138-F192 WeakPolarHBondContact OG-CD1 3.13Å; S138-F192 WeakPolarHBondContact OG-CE1 3.39Å; V141-F192 HydrophobicContact CB-CD2 4.1Å; V141-F192 HydrophobicContact CG1-CB 4.19Å; V141-F192 HydrophobicContact CG1-CD2 4.1Å; V141-F192 HydrophobicContact CG2-CD2 4.12Å; V141-F192 HydrophobicContact CG2-CE2 4.45Å; D156-F192 VanDerWaalsContact OD1-CE2 3.26Å; D156-F192 WeakPolarHBondContact OD1-CE2 3.48Å; L177-F192 HydrophobicContact CD2-CE1 4.18Å; L178-F192 HydrophobicContact CD2-CE1 4.4Å; Y188-F192 VanDerWaalsContact O-CB 3.31Å; Y188-F192 WeakPolarHBondContact O-CB 3.31Å; Y188-F192 PolarHBondContact O-N 3.36Å; T189-F192 WeakPolarHBondContact O-CB 3.1Å; T189-F192 PolarHBondContact O-N 3.15Å; R190-F192 VanDerWaalsContact C-N 3.35Å; F192-S195 PolarHBondContact O-N 2.89Å; F192-W196 AromaticContact CD1-CD1 3.68Å; F192-W196 AromaticContact CD2-CD1 3.68Å; F192-W196 AromaticContact CD2-NE1 3.62Å; F192-W196 AromaticContact CE1-CD1 3.41Å; F192-W196 VanDerWaalsContact CE1-CD1 3.41Å; F192-W196 HydrophobicContact CE1-CG 4.28Å; F192-W196 AromaticContact CE1-NE1 3.69Å; F192-W196 AromaticContact CE2-CD1 3.43Å; F192-W196 VanDerWaalsContact CE2-CD1 3.43Å; F192-W196 AromaticContact CE2-NE1 2.99Å; F192-W196 AromaticContact CG-CD1 3.81Å; F192-W196 AromaticContact CZ-CD1 3.29Å; F192-W196 AromaticContact CZ-CE2 3.93Å; F192-W196 HydrophobicContact CZ-CG 4.3Å; F192-W196 AromaticContact CZ-NE1 3.03Å; F192-W196 PolarHBondContact O-N 2.89Å
193I96.5Very high93.6Very high0 Ų043.3 Ų43.30%023%0.23CC..Hα-helixtrans-62.2-51.4-179.5-67.2152.3000112.4L178 R181 I182 T189 R190 Q191 S195 W196 I197 I222L178-I193 HydrophobicContact CD2-CB 4.27Å; L178-I193 HydrophobicContact CD2-CG1 4Å; L178-I193 HydrophobicContact CD2-CG2 4.23Å; R181-I193 HydrophobicContact CB-CD1 4.2Å; R181-I193 WeakPolarHBondContact O-CD1 3.3Å; I182-I193 HydrophobicContact CB-CD1 4.41Å; I182-I193 HydrophobicContact CD1-CG2 4.22Å; I182-I193 HydrophobicContact CG1-CG2 4.08Å; T189-I193 HydrophobicContact CG2-CD1 4.02Å; T189-I193 VanDerWaalsContact O-CD1 3.31Å; T189-I193 WeakPolarHBondContact O-CD1 3.47Å; T189-I193 VanDerWaalsContact O-CG1 3.3Å; T189-I193 WeakPolarHBondContact O-CG1 3.48Å; T189-I193 PolarHBondContact O-N 3.48Å; R190-I193 PolarHBondContact O-N 2.86Å; Q191-I193 VanDerWaalsContact C-N 3.33Å; Q191-I193 PolarHBondContact O-N 2.75Å; I193-S195 VanDerWaalsContact C-N 3.25Å; I193-S195 PolarHBondContact O-N 3.47Å; I193-W196 PolarHBondContact O-N 3.33Å; I193-W196 VanDerWaalsContact O-N 3.15Å; I193-I197 HydrophobicContact CG2-CD1 3.66Å; I193-I197 HydrophobicContact CG2-CG1 4.35Å; I193-I197 WeakPolarHBondContact O-CG1 3.47Å; I193-I197 PolarHBondContact O-N 3.49Å; I193-I222 HydrophobicContact CG2-CD1 4.41Å
194V96.9Very high93Very high0 Ų045 Ų450%025%0.252CS..Hα-helixtrans-59.2-40.7178.8173.30000110.6R190 S198 I222 L230 Q233 C234 L237R190-V194 WeakPolarHBondContact O-CG2 3.38Å; R190-V194 PolarHBondContact O-N 3.14Å; V194-S198 WeakPolarHBondContact O-CB 3.5Å; V194-S198 PolarHBondContact O-N 3.45Å; V194-S198 PolarHBondContact O-OG 3.09Å; V194-I222 HydrophobicContact CG2-CD1 4.23Å; V194-I222 HydrophobicContact CG2-CG2 3.79Å; V194-L230 HydrophobicContact CB-CD1 4.34Å; V194-L230 HydrophobicContact CG2-CD1 4.02Å; V194-Q233 HydrophobicContact CG1-CB 4.02Å; V194-C234 HydrophobicContact CG2-CB 4.25Å; V194-L237 HydrophobicContact CG1-CD2 4.13Å
195S96.1Very high92.3Very high39 Ų3946.7 Ų46.727%0.27328%0.279SS..Hα-helixtrans-64.6-41.9176.81800000112.4K160 Q191 F192 I193 S198 T199K160-S195 PolarHBondContact NZ-OG 3.33Å; Q191-S195 VanDerWaalsContact O-CB 3.22Å; Q191-S195 WeakPolarHBondContact O-CB 3.33Å; Q191-S195 PolarHBondContact O-N 3.26Å; F192-S195 PolarHBondContact O-N 2.89Å; I193-S195 VanDerWaalsContact C-N 3.25Å; I193-S195 PolarHBondContact O-N 3.47Å; S195-S198 PolarHBondContact O-N 2.93Å; S195-T199 WeakPolarHBondContact O-CB 3.3Å; S195-T199 PolarHBondContact O-N 3.38Å; S195-T199 PolarHBondContact O-OG1 3.36Å
196W95.5Very high91.7Very high0 Ų042.2 Ų42.20%025%0.254CS..Hα-helixtrans-66.4-46.3176.5-89.195.7000112.2L134 D156 L159 K160 I163 I174 L178 F192 I193 S198 T199 L200L134-W196 HydrophobicContact CD1-CD2 4.25Å; L134-W196 HydrophobicContact CD1-CH2 3.96Å; L134-W196 HydrophobicContact CD1-CZ2 3.56Å; L134-W196 HydrophobicContact CD1-CZ3 4.45Å; D156-W196 PolarHBondContact OD1-NE1 3.28Å; L159-W196 HydrophobicContact CB-CH2 4.21Å; L159-W196 HydrophobicContact CB-CZ2 4.3Å; L159-W196 HydrophobicContact CD2-CH2 3.7Å; L159-W196 HydrophobicContact CD2-CZ2 3.81Å; L159-W196 HydrophobicContact CG-CH2 3.82Å; L159-W196 HydrophobicContact CG-CZ2 4.23Å; K160-W196 HydrophobicContact CD-CZ2 4.42Å; K160-W196 VanDerWaalsContact CE-CE2 3.41Å; K160-W196 HydrophobicContact CG-CD2 4.44Å; K160-W196 HydrophobicContact CG-CE3 4.35Å; K160-W196 HydrophobicContact CG-CH2 3.62Å; K160-W196 HydrophobicContact CG-CZ2 3.71Å; K160-W196 HydrophobicContact CG-CZ3 3.95Å; I163-W196 HydrophobicContact CD1-CH2 3.6Å; I163-W196 HydrophobicContact CD1-CZ3 3.57Å; I174-W196 HydrophobicContact CD1-CZ3 4.32Å; I174-W196 HydrophobicContact CG2-CE3 4.16Å; L178-W196 HydrophobicContact CD1-CB 4.13Å; L178-W196 HydrophobicContact CD2-CB 3.81Å; L178-W196 HydrophobicContact CD2-CG 4.39Å; F192-W196 AromaticContact CD1-CD1 3.68Å; F192-W196 AromaticContact CD2-CD1 3.68Å; F192-W196 AromaticContact CD2-NE1 3.62Å; F192-W196 AromaticContact CE1-CD1 3.41Å; F192-W196 VanDerWaalsContact CE1-CD1 3.41Å; F192-W196 HydrophobicContact CE1-CG 4.28Å; F192-W196 AromaticContact CE1-NE1 3.69Å; F192-W196 AromaticContact CE2-CD1 3.43Å; F192-W196 VanDerWaalsContact CE2-CD1 3.43Å; F192-W196 AromaticContact CE2-NE1 2.99Å; F192-W196 AromaticContact CG-CD1 3.81Å; F192-W196 AromaticContact CZ-CD1 3.29Å; F192-W196 AromaticContact CZ-CE2 3.93Å; F192-W196 HydrophobicContact CZ-CG 4.3Å; F192-W196 AromaticContact CZ-NE1 3.03Å; F192-W196 PolarHBondContact O-N 2.89Å; I193-W196 PolarHBondContact O-N 3.33Å; I193-W196 VanDerWaalsContact O-N 3.15Å; W196-S198 VanDerWaalsContact C-N 3.28Å; W196-S198 PolarHBondContact O-N 2.98Å; W196-T199 WeakPolarHBondContact O-CB 3.36Å; W196-T199 PolarHBondContact O-N 2.83Å; W196-L200 VanDerWaalsContact O-CG 3.29Å; W196-L200 WeakPolarHBondContact O-CG 3.32Å; W196-L200 PolarHBondContact O-N 3.22Å
197I94.4Very high90.9Very high2 Ų244.3 Ų44.31%0.0126%0.261CS..Hα-helixtrans-61.4-40.1177.1-60.8168.4000110.5L178 I193 T199 L200 Y201 L215 L219 L237L178-I197 HydrophobicContact CD1-CG1 3.96Å; I193-I197 HydrophobicContact CG2-CD1 3.66Å; I193-I197 HydrophobicContact CG2-CG1 4.35Å; I193-I197 WeakPolarHBondContact O-CG1 3.47Å; I193-I197 PolarHBondContact O-N 3.49Å; I197-T199 VanDerWaalsContact C-N 3.33Å; I197-T199 PolarHBondContact O-N 3.25Å; I197-L200 PolarHBondContact O-N 3.39Å; I197-Y201 WeakPolarHBondContact O-CB 3.29Å; I197-Y201 PolarHBondContact O-N 3.09Å; I197-L215 HydrophobicContact CD1-CD1 4.15Å; I197-L215 HydrophobicContact CG1-CD1 4.37Å; I197-L219 HydrophobicContact CD1-CD1 4.47Å; I197-L219 HydrophobicContact CD1-CD2 3.75Å; I197-L219 HydrophobicContact CD1-CG 4.32Å; I197-L237 HydrophobicContact CB-CD2 3.87Å; I197-L237 HydrophobicContact CG2-CD1 4.13Å; I197-L237 HydrophobicContact CG2-CD2 3.73Å; I197-L237 HydrophobicContact CG2-CG 4.4Å
198S93.9Very high90.4Very high46 Ų4642.1 Ų42.132%0.32225%0.246SC..Hα-helixtrans-64-37.3174.5-54.60000112.7V194 S195 W196 Y201 A202V194-S198 WeakPolarHBondContact O-CB 3.5Å; V194-S198 PolarHBondContact O-N 3.45Å; V194-S198 PolarHBondContact O-OG 3.09Å; S195-S198 PolarHBondContact O-N 2.93Å; W196-S198 VanDerWaalsContact C-N 3.28Å; W196-S198 PolarHBondContact O-N 2.98Å; S198-Y201 PolarHBondContact O-N 3.33Å; S198-A202 PolarHBondContact O-N 3.34Å
199T92.1Very high89.6Confident21 Ų2137.6 Ų37.613%0.12923%0.229CC..Hα-helixtrans-68.3-45.7177.7-54.50000110.6K160 M164 S195 W196 I197 Y201 A202K160-T199 HydrophobicContact CB-CG2 4.03Å; K160-T199 HydrophobicContact CD-CG2 4.12Å; K160-T199 WeakPolarHBondContact CD-OG1 3.17Å; K160-T199 WeakPolarHBondContact CE-OG1 3.49Å; K160-T199 HydrophobicContact CG-CG2 3.91Å; M164-T199 HydrophobicContact SD-CG2 4.24Å; S195-T199 WeakPolarHBondContact O-CB 3.3Å; S195-T199 PolarHBondContact O-N 3.38Å; S195-T199 PolarHBondContact O-OG1 3.36Å; W196-T199 WeakPolarHBondContact O-CB 3.36Å; W196-T199 PolarHBondContact O-N 2.83Å; I197-T199 VanDerWaalsContact C-N 3.33Å; I197-T199 PolarHBondContact O-N 3.25Å; T199-Y201 PolarHBondContact O-N 3.38Å; T199-A202 PolarHBondContact O-N 3.33Å
200L89.7Confident89Confident7 Ų741.5 Ų41.54%0.03725%0.253CS..Hα-helixtrans-57.6-42.6174.6-65.5174.1000110L171 I174 L178 W196 I197 A202 I203 L206 I208L171-L200 HydrophobicContact CD1-CD2 4.09Å; I174-L200 HydrophobicContact CD1-CD2 4.28Å; I174-L200 HydrophobicContact CG2-CD1 4.04Å; I174-L200 HydrophobicContact CG2-CD2 4.49Å; L178-L200 HydrophobicContact CD1-CD1 4Å; W196-L200 VanDerWaalsContact O-CG 3.29Å; W196-L200 WeakPolarHBondContact O-CG 3.32Å; W196-L200 PolarHBondContact O-N 3.22Å; I197-L200 PolarHBondContact O-N 3.39Å; L200-A202 PolarHBondContact O-N 3.18Å; L200-I203 HydrophobicContact CD2-CD1 4.18Å; L200-I203 WeakPolarHBondContact O-CB 3.45Å; L200-I203 PolarHBondContact O-N 3.48Å; L200-L206 HydrophobicContact CB-CD2 4Å; L200-L206 HydrophobicContact CD2-CD2 4.27Å; L200-I208 HydrophobicContact CB-CD1 3.47Å; L200-I208 VanDerWaalsContact CB-CD1 3.47Å; L200-I208 HydrophobicContact CB-CG1 4.34Å
201Y88.9Confident88.5Confident85 Ų8543.1 Ų43.133%0.33326%0.259SS..Hα-helixtrans-65.1-27.6-176.6174.4-100.3000112.2I197 S198 T199 I203 D240 L241 E244I197-Y201 WeakPolarHBondContact O-CB 3.29Å; I197-Y201 PolarHBondContact O-N 3.09Å; S198-Y201 PolarHBondContact O-N 3.33Å; T199-Y201 PolarHBondContact O-N 3.38Å; Y201-I203 VanDerWaalsContact C-N 3.27Å; Y201-I203 PolarHBondContact O-N 2.72Å; Y201-D240 HydrophobicContact CE1-CB 3.81Å; Y201-D240 PolarHBondContact OH-O 3.41Å; Y201-L241 HydrophobicContact CD2-CD2 3.83Å; Y201-L241 HydrophobicContact CE2-CD2 4.26Å; Y201-E244 HydrophobicContact CE2-CB 4.3Å; Y201-E244 VanDerWaalsContact CE2-OE2 3.3Å; Y201-E244 WeakPolarHBondContact CE2-OE2 3.39Å
202A89.4Confident88.3Confident70 Ų7039.4 Ų39.458%0.57924%0.242SC*.THydrogen-bonded Turntrans-76.2-10.6175.300000113.8S198 T199 L200 P204S198-A202 PolarHBondContact O-N 3.34Å; T199-A202 PolarHBondContact O-N 3.33Å; L200-A202 PolarHBondContact O-N 3.18Å; A202-P204 VanDerWaalsContact O-CD 3.29Å; A202-P204 WeakPolarHBondContact O-CD 3.42Å
203I86.8Confident88Confident41 Ų4140.6 Ų40.621%0.2125%0.25CS..SBendtrans-78.8115.3-179.6-59.6175.3000109.5I163 M164 L200 Y201 L206I163-I203 HydrophobicContact CG2-CD1 4.07Å; M164-I203 HydrophobicContact CG-CG1 4.5Å; L200-I203 HydrophobicContact CD2-CD1 4.18Å; L200-I203 WeakPolarHBondContact O-CB 3.45Å; L200-I203 PolarHBondContact O-N 3.48Å; Y201-I203 VanDerWaalsContact C-N 3.27Å; Y201-I203 PolarHBondContact O-N 2.72Å; I203-L206 HydrophobicContact CB-CB 4.24Å; I203-L206 HydrophobicContact CB-CD2 4.48Å; I203-L206 HydrophobicContact CG2-CB 4.24Å; I203-L206 PolarHBondContact O-N 2.96Å
204P82Confident87.7Confident127 Ų12744.6 Ų44.683%0.82527%0.269SS*.THydrogen-bonded Turntrans-63.3138.2-179.9-2133.8000112.3A202 L206A202-P204 VanDerWaalsContact O-CD 3.29Å; A202-P204 WeakPolarHBondContact O-CD 3.42Å; P204-L206 PolarHBondContact O-N 2.7Å
205G77.6Confident87.5Confident82 Ų8244.9 Ų44.985%0.84527%0.271SS*.THydrogen-bonded Turntrans83.5-11.5178.700000114.7
206L78.7Confident87.5Confident43 Ų4343 Ų4323%0.22526%0.258CS..  trans-78.9122.3173.9-179.362.8000111L171 L200 I203 P204 I208L171-L206 HydrophobicContact CD1-CD1 3.36Å; L171-L206 HydrophobicContact CD1-CD2 3.24Å; L171-L206 HydrophobicContact CD1-CG 3.88Å; L171-L206 HydrophobicContact CG-CD1 4.46Å; L200-L206 HydrophobicContact CB-CD2 4Å; L200-L206 HydrophobicContact CD2-CD2 4.27Å; I203-L206 HydrophobicContact CB-CB 4.24Å; I203-L206 HydrophobicContact CB-CD2 4.48Å; I203-L206 HydrophobicContact CG2-CB 4.24Å; I203-L206 PolarHBondContact O-N 2.96Å; P204-L206 PolarHBondContact O-N 2.7Å; L206-I208 HydrophobicContact CD2-CD1 4.31Å; L206-I208 HydrophobicContact CD2-CG1 3.87Å; L206-I208 HydrophobicContact CG-CG1 4.07Å; L206-I208 PolarHBondContact O-N 3.05Å
207K77.3Confident87.5Confident98 Ų9844.2 Ų44.243%0.42626%0.264SS..  trans-89.480.7176.8-60.9-169.3177.9-158.20111.6S209 V210 E251K207-S209 PolarHBondContact O-N 3.11Å; K207-V210 HydrophobicContact CB-CG2 4.02Å; K207-V210 PolarHBondContact O-N 2.92Å; K207-E251 WeakPolarHBondContact CE-OE2 3.31Å; K207-E251 IonicContact NZ-OE1 3.08Å; K207-E251 PolarHBondContact NZ-OE1 2.91Å; K207-E251 IonicContact NZ-OE2 3.18Å; K207-E251 PolarHBondContact NZ-OE2 3.04Å
208I81.4Confident87.5Confident7 Ų744.1 Ų44.14%0.03626%0.263CS..G310 helixtrans-61.9-28.8176.4-71.2-172.2000112.6L200 L206 V210 Y211 L212 L241L200-I208 HydrophobicContact CB-CD1 3.47Å; L200-I208 VanDerWaalsContact CB-CD1 3.47Å; L200-I208 HydrophobicContact CB-CG1 4.34Å; L206-I208 HydrophobicContact CD2-CD1 4.31Å; L206-I208 HydrophobicContact CD2-CG1 3.87Å; L206-I208 HydrophobicContact CG-CG1 4.07Å; L206-I208 PolarHBondContact O-N 3.05Å; I208-V210 PolarHBondContact O-N 2.96Å; I208-Y211 PolarHBondContact O-N 2.87Å; I208-L212 PolarHBondContact O-N 3.21Å; I208-L241 HydrophobicContact CG2-CD2 3.94Å
209S79Confident87.7Confident4 Ų441.9 Ų41.93%0.02825%0.248CC..G310 helixtrans-43-35.4171.548.80000114K207 Y211 L212 P213K207-S209 PolarHBondContact O-N 3.11Å; S209-Y211 VanDerWaalsContact C-N 3.35Å; S209-Y211 PolarHBondContact O-N 3.33Å; S209-L212 WeakPolarHBondContact O-CB 3.35Å; S209-L212 PolarHBondContact O-N 3.4Å; S209-P213 WeakPolarHBondContact O-CD 3.42Å
210V83.1Confident87.9Confident89 Ų8940.9 Ų40.954%0.53924%0.242SC..G310 helixtrans-67.2-33.7178.6-178.90000112.6K207 I208K207-V210 HydrophobicContact CB-CG2 4.02Å; K207-V210 PolarHBondContact O-N 2.92Å; I208-V210 PolarHBondContact O-N 2.96Å
211Y87.1Confident88.2Confident57 Ų5743.5 Ų43.522%0.22425%0.251CS..THydrogen-bonded Turntrans-93.8-17.2-178.6-58.9-69.5000113V175 I208 S209 P213 Q214V175-Y211 HydrophobicContact CB-CD1 4.1Å; V175-Y211 HydrophobicContact CB-CE1 4.35Å; V175-Y211 HydrophobicContact CB-CG 4.34Å; V175-Y211 HydrophobicContact CG1-CD1 3.59Å; V175-Y211 HydrophobicContact CG1-CE1 4.28Å; V175-Y211 HydrophobicContact CG1-CG 3.85Å; V175-Y211 HydrophobicContact CG2-CD1 3.92Å; V175-Y211 HydrophobicContact CG2-CD2 3.87Å; V175-Y211 HydrophobicContact CG2-CE1 4.13Å; V175-Y211 HydrophobicContact CG2-CE2 4.11Å; V175-Y211 HydrophobicContact CG2-CG 3.75Å; I208-Y211 PolarHBondContact O-N 2.87Å; S209-Y211 VanDerWaalsContact C-N 3.35Å; S209-Y211 PolarHBondContact O-N 3.33Å; Y211-P213 VanDerWaalsContact C-CD 3.44Å; Y211-Q214 PolarHBondContact O-N 2.99Å
212L90.2Very high88.5Confident3 Ų339.5 Ų39.52%0.01624%0.235CC..Hα-helixtrans-52.6-41.1-176.1-178.961.7000114.4I208 S209 Q214 L215 L216 L219 L241 I245 M257 W338I208-L212 PolarHBondContact O-N 3.21Å; S209-L212 WeakPolarHBondContact O-CB 3.35Å; S209-L212 PolarHBondContact O-N 3.4Å; L212-Q214 PolarHBondContact O-N 3.24Å; L212-Q214 VanDerWaalsContact O-N 3.11Å; L212-L215 PolarHBondContact O-N 2.9Å; L212-L216 HydrophobicContact CD1-CB 4.47Å; L212-L216 HydrophobicContact CD1-CD1 4.23Å; L212-L216 WeakPolarHBondContact O-CB 3.37Å; L212-L216 PolarHBondContact O-N 2.96Å; L212-L219 HydrophobicContact CD1-CD1 4.4Å; L212-L241 HydrophobicContact CD1-CD1 3.98Å; L212-I245 HydrophobicContact CD2-CD1 3.71Å; L212-I245 HydrophobicContact CD2-CG1 4.4Å; L212-M257 HydrophobicContact CB-SD 4.47Å; L212-M257 HydrophobicContact CD2-SD 3.83Å; L212-M257 HydrophobicContact CG-SD 3.82Å; L212-W338 HydrophobicContact CD2-CH2 3.85Å; L212-W338 HydrophobicContact CD2-CZ3 4.11Å
213P91Very high88.9Confident31 Ų3136.1 Ų36.120%0.20121%0.208CC..Hα-helixtrans-53.9-34.4176.8-29.536.7000114.5S209 Y211 T256 M257S209-P213 WeakPolarHBondContact O-CD 3.42Å; Y211-P213 VanDerWaalsContact C-CD 3.44Å; P213-T256 VanDerWaalsContact CB-OG1 3.29Å; P213-T256 WeakPolarHBondContact CB-OG1 3.42Å; P213-T256 VanDerWaalsContact CG-OG1 3.32Å; P213-T256 WeakPolarHBondContact CG-OG1 3.42Å; P213-M257 HydrophobicContact CB-CG 4.04Å; P213-M257 HydrophobicContact CG-CG 3.98Å; P213-M257 HydrophobicContact CG-SD 4.3Å
214Q89.7Confident89.1Confident85 Ų8535.1 Ų35.140%0.39721%0.207SC..Hα-helixtrans-81.7-17.4-179.2-58.2-179.462.400112.9K179 Y211 L212K179-Q214 HydrophobicContact CD-CB 4.36Å; Y211-Q214 PolarHBondContact O-N 2.99Å; L212-Q214 PolarHBondContact O-N 3.24Å; L212-Q214 VanDerWaalsContact O-N 3.11Å
215L93.2Very high89.6Confident5 Ų529.2 Ų29.23%0.02617%0.169CC..Hα-helixtrans-104.9-25-175.2-60.7175.2000112.5L178 K179 I182 I197 L212 D217 G218 L219L178-L215 HydrophobicContact CB-CD2 4.42Å; K179-L215 HydrophobicContact CB-CD2 4.49Å; I182-L215 HydrophobicContact CD1-CB 4.38Å; I182-L215 HydrophobicContact CD1-CD2 4.25Å; I182-L215 WeakPolarHBondContact CD1-O 3.47Å; I197-L215 HydrophobicContact CD1-CD1 4.15Å; I197-L215 HydrophobicContact CG1-CD1 4.37Å; L212-L215 PolarHBondContact O-N 2.9Å; L215-D217 PolarHBondContact O-N 3.49Å; L215-G218 PolarHBondContact O-N 2.91Å; L215-L219 HydrophobicContact CB-CD1 4.5Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.48Å
216L95.5Very high90.3Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-57.7-49.1-170-172.266.1000113.1L212 G218 L219 F220 L238 M257 L261 W338L212-L216 HydrophobicContact CD1-CB 4.47Å; L212-L216 HydrophobicContact CD1-CD1 4.23Å; L212-L216 WeakPolarHBondContact O-CB 3.37Å; L212-L216 PolarHBondContact O-N 2.96Å; L216-G218 VanDerWaalsContact C-N 3.32Å; L216-G218 PolarHBondContact O-N 3.01Å; L216-L219 PolarHBondContact O-N 3.17Å; L216-F220 HydrophobicContact CD1-CD2 3.92Å; L216-F220 HydrophobicContact CD1-CE2 3.72Å; L216-F220 HydrophobicContact CG-CD2 4.07Å; L216-F220 HydrophobicContact CG-CE2 4.16Å; L216-F220 WeakPolarHBondContact O-CD2 3.44Å; L216-F220 PolarHBondContact O-N 3.29Å; L216-L238 HydrophobicContact CD1-CD2 4.1Å; L216-M257 HydrophobicContact CD2-CB 3.66Å; L216-M257 HydrophobicContact CD2-CG 3.79Å; L216-M257 HydrophobicContact CD2-SD 3.91Å; L216-L261 HydrophobicContact CD2-CD2 4.02Å; L216-L261 HydrophobicContact CD2-CG 4.14Å; L216-W338 HydrophobicContact CD1-CE3 4.2Å; L216-W338 HydrophobicContact CD1-CH2 3.79Å; L216-W338 HydrophobicContact CD1-CZ2 4.21Å; L216-W338 HydrophobicContact CD1-CZ3 3.77Å; L216-W338 HydrophobicContact CD2-CE3 4.43Å; L216-W338 HydrophobicContact CD2-CZ3 4.29Å
217D95.8Very high90.9Very high25 Ų2531.1 Ų31.113%0.13417%0.166CC..Hα-helixtrans-58-45.4179175.960.1000111.8Y183 L215 F220 R221 H264Y183-D217 WeakPolarHBondContact CE1-OD2 3.31Å; Y183-D217 PolarHBondContact OH-OD2 3.39Å; L215-D217 PolarHBondContact O-N 3.49Å; D217-F220 PolarHBondContact O-N 3.04Å; D217-R221 WeakPolarHBondContact O-CG 3.42Å; D217-R221 PolarHBondContact O-N 2.93Å; D217-R221 IonicContact OD2-CZ 3.3Å; D217-R221 IonicContact OD2-NE 3.37Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.9Å; D217-H264 PolarHBondContact O-NE2 3.45Å; D217-H264 IonicContact OD1-CD2 3.71Å; D217-H264 IonicContact OD1-CE1 3.64Å; D217-H264 IonicContact OD1-NE2 3.18Å; D217-H264 PolarHBondContact OD1-NE2 3.43Å
218G95.4Very high91.6Very high0 Ų030 Ų300%017%0.168CC..Hα-helixtrans-64.9-39.217700000113L215 L216 F220 R221 I222L215-G218 PolarHBondContact O-N 2.91Å; L216-G218 VanDerWaalsContact C-N 3.32Å; L216-G218 PolarHBondContact O-N 3.01Å; G218-F220 PolarHBondContact O-N 3.26Å; G218-R221 WeakPolarHBondContact O-CB 3.5Å; G218-R221 PolarHBondContact O-N 3.13Å; G218-I222 WeakPolarHBondContact O-CG1 3.39Å; G218-I222 PolarHBondContact O-N 2.82Å
219L97.5Very high92.2Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-61.8-42.7174.5-72.6175.1000111.8I182 I197 L212 L215 L216 R221 I222 L223 C234 L237 L238 L241I182-L219 HydrophobicContact CD1-CG 4.28Å; I197-L219 HydrophobicContact CD1-CD1 4.47Å; I197-L219 HydrophobicContact CD1-CD2 3.75Å; I197-L219 HydrophobicContact CD1-CG 4.32Å; L212-L219 HydrophobicContact CD1-CD1 4.4Å; L215-L219 HydrophobicContact CB-CD1 4.5Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 3.48Å; L216-L219 PolarHBondContact O-N 3.17Å; L219-R221 VanDerWaalsContact C-N 3.31Å; L219-R221 PolarHBondContact O-N 3.12Å; L219-I222 CarbonylContact O-C 3.59Å; L219-I222 PolarHBondContact O-N 3.17Å; L219-I222 VanDerWaalsContact O-N 3.17Å; L219-L223 PolarHBondContact O-N 3.13Å; L219-C234 PolarHBondContact O-SG 3.39Å; L219-L237 HydrophobicContact CD2-CD2 4.08Å; L219-L238 HydrophobicContact CB-CD2 4.03Å; L219-L238 HydrophobicContact CD1-CD2 4Å; L219-L241 HydrophobicContact CD1-CD1 4.18Å
220F97.1Very high92.9Very high0 Ų034.1 Ų34.10%019%0.191CC..Hα-helixtrans-65.5-31.8174.6-92-90.2000112.9L216 D217 G218 L223 L238 L261 H264 K331 A334 A335 W338L216-F220 HydrophobicContact CD1-CD2 3.92Å; L216-F220 HydrophobicContact CD1-CE2 3.72Å; L216-F220 HydrophobicContact CG-CD2 4.07Å; L216-F220 HydrophobicContact CG-CE2 4.16Å; L216-F220 WeakPolarHBondContact O-CD2 3.44Å; L216-F220 PolarHBondContact O-N 3.29Å; D217-F220 PolarHBondContact O-N 3.04Å; G218-F220 PolarHBondContact O-N 3.26Å; F220-L223 HydrophobicContact CD1-CD2 4.25Å; F220-L223 HydrophobicContact CE1-CD2 4.33Å; F220-L223 WeakPolarHBondContact O-CB 3.43Å; F220-L223 PolarHBondContact O-N 3.02Å; F220-L238 HydrophobicContact CE2-CD1 4.43Å; F220-L238 HydrophobicContact CE2-CD2 4.31Å; F220-L261 HydrophobicContact CD2-CD2 4.36Å; F220-L261 HydrophobicContact CE2-CD2 3.48Å; F220-L261 VanDerWaalsContact CE2-CD2 3.48Å; F220-L261 HydrophobicContact CZ-CD2 3.57Å; F220-H264 HydrophobicContact CB-CB 4.41Å; F220-H264 VanDerWaalsContact CB-CD2 3.41Å; F220-H264 WeakPolarHBondContact CB-CD2 3.46Å; F220-H264 WeakPolarHBondContact CB-NE2 3.17Å; F220-H264 HydrophobicContact CD1-CB 3.94Å; F220-H264 HydrophobicContact CG-CB 4.33Å; F220-H264 AromaticContact CG-CD2 3.91Å; F220-H264 AromaticContact CG-CG 3.98Å; F220-K331 VanDerWaalsContact O-CD 3.24Å; F220-K331 WeakPolarHBondContact O-CD 3.41Å; F220-A334 HydrophobicContact CE1-CB 3.8Å; F220-A334 HydrophobicContact CZ-CB 4.13Å; F220-A335 HydrophobicContact CE1-CB 3.76Å; F220-A335 HydrophobicContact CZ-CB 4.29Å; F220-W338 HydrophobicContact CZ-CG 4.36Å
221R95Very high93.5Very high62 Ų6231.9 Ų31.923%0.23417%0.172CC..Hα-helixtrans-65.6-42.1169.7-68.6179.1-176.4-144.13.4112D217 G218 L219 L223 G224 S302D217-R221 WeakPolarHBondContact O-CG 3.42Å; D217-R221 PolarHBondContact O-N 2.93Å; D217-R221 IonicContact OD2-CZ 3.3Å; D217-R221 IonicContact OD2-NE 3.37Å; D217-R221 PolarHBondContact OD2-NE 2.8Å; D217-R221 IonicContact OD2-NH2 3.9Å; G218-R221 WeakPolarHBondContact O-CB 3.5Å; G218-R221 PolarHBondContact O-N 3.13Å; L219-R221 VanDerWaalsContact C-N 3.31Å; L219-R221 PolarHBondContact O-N 3.12Å; R221-L223 VanDerWaalsContact C-N 3.3Å; R221-L223 PolarHBondContact O-N 3.22Å; R221-G224 PolarHBondContact O-N 3.25Å; R221-S302 PolarHBondContact NH2-OG 3.38Å
222I96.5Very high93.9Very high0 Ų035.5 Ų35.50%019%0.186CC..Hα-helixtrans-67.3-31.8176.1-63.9170.9000111.4I182 R190 I193 V194 G218 L219 G224 D225 L230 C234I182-I222 HydrophobicContact CG1-CD1 3.91Å; R190-I222 HydrophobicContact CB-CD1 4.12Å; R190-I222 HydrophobicContact CB-CG1 4.13Å; R190-I222 HydrophobicContact CB-CG2 4.22Å; R190-I222 HydrophobicContact CG-CD1 4.17Å; R190-I222 HydrophobicContact CG-CG1 3.9Å; I193-I222 HydrophobicContact CG2-CD1 4.41Å; V194-I222 HydrophobicContact CG2-CD1 4.23Å; V194-I222 HydrophobicContact CG2-CG2 3.79Å; G218-I222 WeakPolarHBondContact O-CG1 3.39Å; G218-I222 PolarHBondContact O-N 2.82Å; L219-I222 CarbonylContact O-C 3.59Å; L219-I222 PolarHBondContact O-N 3.17Å; L219-I222 VanDerWaalsContact O-N 3.17Å; I222-G224 PolarHBondContact O-N 3.32Å; I222-D225 WeakPolarHBondContact O-CB 3.25Å; I222-D225 PolarHBondContact O-N 3.03Å; I222-L230 HydrophobicContact CG2-CD1 4.02Å; I222-L230 HydrophobicContact CG2-CD2 4.1Å; I222-L230 HydrophobicContact CG2-CG 3.9Å; I222-C234 HydrophobicContact CG2-CB 4.25Å
223L96.3Very high94.2Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-61-24.8174.9-171.566000112.5L219 F220 R221 R231 C234 E235 L238 L330 K331 A334L219-L223 PolarHBondContact O-N 3.13Å; F220-L223 HydrophobicContact CD1-CD2 4.25Å; F220-L223 HydrophobicContact CE1-CD2 4.33Å; F220-L223 WeakPolarHBondContact O-CB 3.43Å; F220-L223 PolarHBondContact O-N 3.02Å; R221-L223 VanDerWaalsContact C-N 3.3Å; R221-L223 PolarHBondContact O-N 3.22Å; L223-R231 WeakPolarHBondContact O-CD 3.49Å; L223-R231 VanDerWaalsContact O-CG 3.24Å; L223-R231 WeakPolarHBondContact O-CG 3.48Å; L223-C234 HydrophobicContact CD1-CB 4.31Å; L223-E235 HydrophobicContact CD1-CB 3.89Å; L223-L238 HydrophobicContact CB-CD1 4.44Å; L223-L238 HydrophobicContact CD1-CD1 4.35Å; L223-L238 HydrophobicContact CD2-CD1 3.88Å; L223-L238 HydrophobicContact CG-CD1 4.46Å; L223-L330 HydrophobicContact CD1-CD1 4.46Å; L223-L330 HydrophobicContact CD1-CD2 3.64Å; L223-L330 HydrophobicContact CD1-CG 3.84Å; L223-L330 HydrophobicContact CD2-CG 4.29Å; L223-L330 HydrophobicContact CG-CD2 4.08Å; L223-L330 HydrophobicContact CG-CG 3.95Å; L223-K331 HydrophobicContact CB-CG 4.12Å; L223-K331 HydrophobicContact CD2-CG 4.11Å; L223-K331 HydrophobicContact CG-CG 4.12Å; L223-A334 HydrophobicContact CD2-CB 3.5Å; L223-A334 VanDerWaalsContact CD2-CB 3.5Å
224G91.7Very high94.5Very high19 Ų1936.8 Ų36.820%0.19619%0.189CC..THydrogen-bonded Turntrans-89.29.117300000115.2R221 I222R221-G224 PolarHBondContact O-N 3.25Å; I222-G224 PolarHBondContact O-N 3.32Å
225D93.4Very high94.9Very high3 Ų335.1 Ų35.12%0.01618%0.181CC..  trans-63.5145.3-177-166.4-83000112.4R190 I222 N227 L230 R231R190-D225 WeakPolarHBondContact CD-OD2 3.36Å; R190-D225 IonicContact CZ-OD2 3.27Å; R190-D225 IonicContact NE-OD2 3.64Å; R190-D225 IonicContact NH1-OD2 3.09Å; R190-D225 PolarHBondContact NH1-OD2 3.3Å; I222-D225 WeakPolarHBondContact O-CB 3.25Å; I222-D225 PolarHBondContact O-N 3.03Å; D225-N227 PolarHBondContact O-N 3.42Å; D225-N227 WeakPolarHBondContact OD1-CB 3.43Å; D225-N227 PolarHBondContact OD1-N 2.87Å; D225-L230 HydrophobicContact CB-CD2 4.01Å; D225-L230 HydrophobicContact CB-CG 4.45Å; D225-R231 HydrophobicContact CB-CG 4.47Å; D225-R231 WeakPolarHBondContact O-CD 3.47Å; D225-R231 WeakPolarHBondContact O-CG 3.41Å; D225-R231 PolarHBondContact O-NH1 3.45Å
226P90.5Very high95Very high112 Ų11239.5 Ų39.573%0.72720%0.203SC*.SBendtrans-60.5-26.2175.723.4-35.7000114.2P228 R231P226-P228 WeakPolarHBondContact O-CD 3.48Å; P226-R231 PolarHBondContact O-NH1 3.11Å
227N92Very high95.1Very high53 Ų5339.7 Ų39.728%0.28320%0.204SC..  trans-75.5114.6-179.5-177.6-16.9000111.8D225 D229 L230 R231D225-N227 PolarHBondContact O-N 3.42Å; D225-N227 WeakPolarHBondContact OD1-CB 3.43Å; D225-N227 PolarHBondContact OD1-N 2.87Å; N227-D229 PolarHBondContact O-N 2.95Å; N227-D229 PolarHBondContact OD1-N 3.22Å; N227-L230 HydrophobicContact CB-CB 3.92Å; N227-L230 PolarHBondContact O-N 3.13Å; N227-L230 PolarHBondContact OD1-N 3.14Å; N227-R231 WeakPolarHBondContact O-CG 3.35Å; N227-R231 PolarHBondContact O-N 3.28Å
228P92.1Very high95.1Very high74 Ų7438.6 Ų38.648%0.48120%0.198SC..Hα-helixtrans-64.3-35.8-177.327.1-34.7000113.6P226 L230 R231 R232P226-P228 WeakPolarHBondContact O-CD 3.48Å; P228-L230 VanDerWaalsContact C-N 3.32Å; P228-R231 PolarHBondContact O-N 3.34Å; P228-R232 WeakPolarHBondContact O-CB 3.41Å; P228-R232 PolarHBondContact O-N 3.06Å
229D94Very high95.1Very high98 Ų9840.4 Ų40.452%0.52421%0.209SC..Hα-helixtrans-69-35.8179.7-69.9-49.4000111.6N227 Q233N227-D229 PolarHBondContact O-N 2.95Å; N227-D229 PolarHBondContact OD1-N 3.22Å; D229-Q233 VanDerWaalsContact O-CG 3.31Å; D229-Q233 WeakPolarHBondContact O-CG 3.48Å; D229-Q233 PolarHBondContact O-N 2.97Å; D229-Q233 PolarHBondContact O-NE2 3.27Å
230L95Very high95Very high1 Ų142.8 Ų42.81%0.00522%0.221CC..Hα-helixtrans-69.4-43.8175.4179.556.3000111R190 Q191 V194 I222 D225 N227 P228 R232 Q233 C234R190-L230 HydrophobicContact CB-CD2 3.65Å; Q191-L230 HydrophobicContact CB-CD1 4.17Å; V194-L230 HydrophobicContact CB-CD1 4.34Å; V194-L230 HydrophobicContact CG2-CD1 4.02Å; I222-L230 HydrophobicContact CG2-CD1 4.02Å; I222-L230 HydrophobicContact CG2-CD2 4.1Å; I222-L230 HydrophobicContact CG2-CG 3.9Å; D225-L230 HydrophobicContact CB-CD2 4.01Å; D225-L230 HydrophobicContact CB-CG 4.45Å; N227-L230 HydrophobicContact CB-CB 3.92Å; N227-L230 PolarHBondContact O-N 3.13Å; N227-L230 PolarHBondContact OD1-N 3.14Å; P228-L230 VanDerWaalsContact C-N 3.32Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 2.92Å; L230-Q233 PolarHBondContact O-N 3.21Å; L230-C234 WeakPolarHBondContact O-CB 3.31Å; L230-C234 PolarHBondContact O-N 2.92Å
231R94.8Very high94.8Very high42 Ų4242.8 Ų42.816%0.15822%0.222CC..Hα-helixtrans-56.9-46.2173.3-68.2-162.3-59.2-82.81.7111.5L223 D225 P226 N227 P228 Q233 C234 E235 L330L223-R231 WeakPolarHBondContact O-CD 3.49Å; L223-R231 VanDerWaalsContact O-CG 3.24Å; L223-R231 WeakPolarHBondContact O-CG 3.48Å; D225-R231 HydrophobicContact CB-CG 4.47Å; D225-R231 WeakPolarHBondContact O-CD 3.47Å; D225-R231 WeakPolarHBondContact O-CG 3.41Å; D225-R231 PolarHBondContact O-NH1 3.45Å; P226-R231 PolarHBondContact O-NH1 3.11Å; N227-R231 WeakPolarHBondContact O-CG 3.35Å; N227-R231 PolarHBondContact O-N 3.28Å; P228-R231 PolarHBondContact O-N 3.34Å; R231-Q233 PolarHBondContact O-N 3.12Å; R231-C234 PolarHBondContact O-N 3.46Å; R231-E235 WeakPolarHBondContact O-CB 3.45Å; R231-E235 PolarHBondContact O-N 2.89Å; R231-L330 HydrophobicContact CB-CD2 4Å
232R95.9Very high94.8Very high132 Ų13239.9 Ų39.950%0.49821%0.211SC..Hα-helixtrans-60.5-44.7178.6-170.4-17771.381-0.8111.9P228 L230 E235 M236P228-R232 WeakPolarHBondContact O-CB 3.41Å; P228-R232 PolarHBondContact O-N 3.06Å; L230-R232 VanDerWaalsContact C-N 3.32Å; L230-R232 PolarHBondContact O-N 2.92Å; R232-E235 PolarHBondContact O-N 3.34Å; R232-M236 PolarHBondContact NH1-SD 3.44Å; R232-M236 VanDerWaalsContact O-CG 3.3Å; R232-M236 WeakPolarHBondContact O-CG 3.42Å; R232-M236 PolarHBondContact O-N 3.07Å
233Q96.3Very high94.5Very high61 Ų6144.9 Ų44.929%0.28523%0.233SC..Hα-helixtrans-63.1-44176.4-74.9167.269.800111.8V194 D229 L230 R231 M236 L237V194-Q233 HydrophobicContact CG1-CB 4.02Å; D229-Q233 VanDerWaalsContact O-CG 3.31Å; D229-Q233 WeakPolarHBondContact O-CG 3.48Å; D229-Q233 PolarHBondContact O-N 2.97Å; D229-Q233 PolarHBondContact O-NE2 3.27Å; L230-Q233 PolarHBondContact O-N 3.21Å; R231-Q233 PolarHBondContact O-N 3.12Å; Q233-M236 PolarHBondContact O-N 3.48Å; Q233-L237 PolarHBondContact O-N 3Å
234C97.4Very high94.2Very high0 Ų046.6 Ų46.60%024%0.24CC..Hα-helixtrans-64.8-41.2177.2-166.60000111.9V194 L219 I222 L223 L230 R231 L237 L238V194-C234 HydrophobicContact CG2-CB 4.25Å; L219-C234 PolarHBondContact O-SG 3.39Å; I222-C234 HydrophobicContact CG2-CB 4.25Å; L223-C234 HydrophobicContact CD1-CB 4.31Å; L230-C234 WeakPolarHBondContact O-CB 3.31Å; L230-C234 PolarHBondContact O-N 2.92Å; R231-C234 PolarHBondContact O-N 3.46Å; C234-L237 PolarHBondContact O-N 3.06Å; C234-L238 WeakPolarHBondContact O-CB 3.18Å; C234-L238 WeakPolarHBondContact O-CG 3.38Å; C234-L238 PolarHBondContact O-N 3.29Å
235E96.9Very high94Very high50 Ų5045.7 Ų45.723%0.23423%0.231CC..Hα-helixtrans-62.1-43.8176.5-179.1178.7-166.500112.1L223 R231 R232 L238 T239 L330 R333L223-E235 HydrophobicContact CD1-CB 3.89Å; R231-E235 WeakPolarHBondContact O-CB 3.45Å; R231-E235 PolarHBondContact O-N 2.89Å; R232-E235 PolarHBondContact O-N 3.34Å; E235-L238 PolarHBondContact O-N 3.47Å; E235-T239 WeakPolarHBondContact O-CB 3.44Å; E235-T239 PolarHBondContact O-N 3.13Å; E235-T239 PolarHBondContact O-OG1 3.12Å; E235-L330 VanDerWaalsContact CD-CD1 3.48Å; E235-L330 HydrophobicContact CG-CD1 4.19Å; E235-L330 WeakPolarHBondContact OE2-CD1 3.47Å; E235-R333 IonicContact OE1-CZ 2.63Å; E235-R333 VanDerWaalsContact OE1-CZ 3.27Å; E235-R333 IonicContact OE1-NH1 2.87Å; E235-R333 PolarHBondContact OE1-NH1 3.4Å; E235-R333 IonicContact OE1-NH2 3.14Å; E235-R333 PolarHBondContact OE1-NH2 3.24Å; E235-R333 IonicContact OE2-NH2 3.24Å
236M96.8Very high93.9Very high97 Ų9750.3 Ų50.348%0.47825%0.253SS..Hα-helixtrans-60.6-47.9176.1-72.1178.365.100110.7R232 Q233 L238 T239 D240R232-M236 PolarHBondContact NH1-SD 3.44Å; R232-M236 VanDerWaalsContact O-CG 3.3Å; R232-M236 WeakPolarHBondContact O-CG 3.42Å; R232-M236 PolarHBondContact O-N 3.07Å; Q233-M236 PolarHBondContact O-N 3.48Å; M236-L238 PolarHBondContact O-N 3.27Å; M236-T239 WeakPolarHBondContact O-CB 3.43Å; M236-T239 PolarHBondContact O-N 2.91Å; M236-T239 VanDerWaalsContact O-N 3.12Å; M236-D240 PolarHBondContact O-N 3.27Å
237L96.3Very high93.8Very high5 Ų548.2 Ų48.23%0.02625%0.245CC..Hα-helixtrans-58.1-49.5177176.662.5000112.2V194 I197 L219 Q233 C234 T239 D240 L241V194-L237 HydrophobicContact CG1-CD2 4.13Å; I197-L237 HydrophobicContact CB-CD2 3.87Å; I197-L237 HydrophobicContact CG2-CD1 4.13Å; I197-L237 HydrophobicContact CG2-CD2 3.73Å; I197-L237 HydrophobicContact CG2-CG 4.4Å; L219-L237 HydrophobicContact CD2-CD2 4.08Å; Q233-L237 PolarHBondContact O-N 3Å; C234-L237 PolarHBondContact O-N 3.06Å; L237-T239 PolarHBondContact O-N 3.35Å; L237-D240 PolarHBondContact O-N 2.99Å; L237-L241 HydrophobicContact CD1-CD1 4.01Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.88Å; L237-L241 HydrophobicContact CG-CG 4.46Å; L237-L241 WeakPolarHBondContact O-CB 3.12Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.2Å
238L96.8Very high93.5Very high2 Ų249.1 Ų49.11%0.0125%0.25CC..Hα-helixtrans-62.3-32.9176.9-74.2171.4000112.2L216 L219 F220 L223 C234 E235 M236 L242 W338L216-L238 HydrophobicContact CD1-CD2 4.1Å; L219-L238 HydrophobicContact CB-CD2 4.03Å; L219-L238 HydrophobicContact CD1-CD2 4Å; F220-L238 HydrophobicContact CE2-CD1 4.43Å; F220-L238 HydrophobicContact CE2-CD2 4.31Å; L223-L238 HydrophobicContact CB-CD1 4.44Å; L223-L238 HydrophobicContact CD1-CD1 4.35Å; L223-L238 HydrophobicContact CD2-CD1 3.88Å; L223-L238 HydrophobicContact CG-CD1 4.46Å; C234-L238 WeakPolarHBondContact O-CB 3.18Å; C234-L238 WeakPolarHBondContact O-CG 3.38Å; C234-L238 PolarHBondContact O-N 3.29Å; E235-L238 PolarHBondContact O-N 3.47Å; M236-L238 PolarHBondContact O-N 3.27Å; L238-L242 VanDerWaalsContact O-CB 3.31Å; L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 2.98Å; L238-W338 HydrophobicContact CB-CZ2 4.43Å; L238-W338 HydrophobicContact CD2-CZ2 3.92Å; L238-W338 WeakPolarHBondContact O-CZ2 3.19Å
239T96Very high93.1Very high37 Ų3747.5 Ų47.523%0.22724%0.239CC..Hα-helixtrans-69.2-39176.7-64.10000111.7E235 M236 L237 K243E235-T239 WeakPolarHBondContact O-CB 3.44Å; E235-T239 PolarHBondContact O-N 3.13Å; E235-T239 PolarHBondContact O-OG1 3.12Å; M236-T239 WeakPolarHBondContact O-CB 3.43Å; M236-T239 PolarHBondContact O-N 2.91Å; M236-T239 VanDerWaalsContact O-N 3.12Å; L237-T239 PolarHBondContact O-N 3.35Å; T239-K243 WeakPolarHBondContact O-CG 3.4Å; T239-K243 PolarHBondContact O-N 3.34Å
240D94.5Very high92.4Very high50 Ų5050.7 Ų50.727%0.26726%0.256SS..Hα-helixtrans-75.3-41179.4-66.9-29.4000111.7Y201 M236 L237 L242 K243 E244Y201-D240 HydrophobicContact CE1-CB 3.81Å; Y201-D240 PolarHBondContact OH-O 3.41Å; M236-D240 PolarHBondContact O-N 3.27Å; L237-D240 PolarHBondContact O-N 2.99Å; D240-L242 VanDerWaalsContact C-N 3.27Å; D240-L242 PolarHBondContact O-N 3.49Å; D240-K243 WeakPolarHBondContact O-CB 3.05Å; D240-K243 PolarHBondContact O-N 3.44Å; D240-K243 VanDerWaalsContact O-N 3.14Å; D240-K243 IonicContact OD1-NZ 2.66Å; D240-K243 PolarHBondContact OD1-NZ 3.39Å; D240-E244 PolarHBondContact O-N 3.17Å; D240-E244 VanDerWaalsContact O-N 3.11Å
241L93.4Very high91.5Very high1 Ų155.2 Ų55.21%0.00528%0.277CS..Hα-helixtrans-58.8-38.4171.5-70.5168.8000112.2Y201 I208 L212 L219 L237 E244 I245 W338Y201-L241 HydrophobicContact CD2-CD2 3.83Å; Y201-L241 HydrophobicContact CE2-CD2 4.26Å; I208-L241 HydrophobicContact CG2-CD2 3.94Å; L212-L241 HydrophobicContact CD1-CD1 3.98Å; L219-L241 HydrophobicContact CD1-CD1 4.18Å; L237-L241 HydrophobicContact CD1-CD1 4.01Å; L237-L241 HydrophobicContact CD1-CG 4.17Å; L237-L241 HydrophobicContact CG-CD1 3.88Å; L237-L241 HydrophobicContact CG-CG 4.46Å; L237-L241 WeakPolarHBondContact O-CB 3.12Å; L237-L241 VanDerWaalsContact O-CG 3.3Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.2Å; L241-E244 WeakPolarHBondContact O-CB 3.4Å; L241-E244 PolarHBondContact O-N 3.27Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.44Å; L241-I245 VanDerWaalsContact O-N 3.13Å; L241-W338 HydrophobicContact CB-CH2 4.3Å; L241-W338 HydrophobicContact CB-CZ2 4.31Å
242L93.8Very high90.7Very high1 Ų154 Ų541%0.00527%0.274CS..Hα-helixtrans-65.1-39.7176.9-168.359.1000112.3L238 D240 E244 I245 E246 K337 W338 T341L238-L242 VanDerWaalsContact O-CB 3.31Å; L238-L242 WeakPolarHBondContact O-CB 3.12Å; L238-L242 PolarHBondContact O-N 2.98Å; D240-L242 VanDerWaalsContact C-N 3.27Å; D240-L242 PolarHBondContact O-N 3.49Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.29Å; L242-I245 HydrophobicContact CD1-CD1 4.33Å; L242-I245 WeakPolarHBondContact O-CB 3.41Å; L242-I245 PolarHBondContact O-N 3.06Å; L242-E246 WeakPolarHBondContact O-CG 3.44Å; L242-E246 PolarHBondContact O-N 2.74Å; L242-K337 HydrophobicContact CD2-CD 3.99Å; L242-K337 HydrophobicContact CD2-CG 3.86Å; L242-W338 HydrophobicContact CB-CZ2 3.98Å; L242-W338 HydrophobicContact CD1-CB 4.49Å; L242-W338 HydrophobicContact CD1-CD2 3.56Å; L242-W338 HydrophobicContact CD1-CE3 3.83Å; L242-W338 HydrophobicContact CD1-CG 3.87Å; L242-W338 HydrophobicContact CD1-CH2 4.4Å; L242-W338 HydrophobicContact CD1-CZ2 4.18Å; L242-W338 HydrophobicContact CD1-CZ3 4.25Å; L242-W338 HydrophobicContact CD2-CG 4.16Å; L242-W338 HydrophobicContact CG-CD2 4.45Å; L242-T341 HydrophobicContact CD1-CG2 4.25Å; L242-T341 VanDerWaalsContact CD1-OG1 3.31Å; L242-T341 WeakPolarHBondContact CD1-OG1 3.38Å; L242-T341 HydrophobicContact CD2-CG2 3.97Å; L242-T341 HydrophobicContact CG-CG2 4.15Å
243K91.6Very high90.1Very high105 Ų10549.7 Ų49.746%0.45727%0.266SS..Hα-helixtrans-64.5-35175.8-67.4169.2-165.9155.80111.9T239 D240 I245 E246 A247T239-K243 WeakPolarHBondContact O-CG 3.4Å; T239-K243 PolarHBondContact O-N 3.34Å; D240-K243 WeakPolarHBondContact O-CB 3.05Å; D240-K243 PolarHBondContact O-N 3.44Å; D240-K243 VanDerWaalsContact O-N 3.14Å; D240-K243 IonicContact OD1-NZ 2.66Å; D240-K243 PolarHBondContact OD1-NZ 3.39Å; K243-I245 VanDerWaalsContact C-N 3.35Å; K243-E246 PolarHBondContact O-N 2.84Å; K243-A247 WeakPolarHBondContact O-CB 3.49Å; K243-A247 PolarHBondContact O-N 3.18Å
244E88.5Confident89.8Confident35 Ų3547.2 Ų47.216%0.16426%0.255CS..Hα-helixtrans-63.6-41.9174.3-170-168165.900111.2Y201 D240 L241 L242 A247 N248Y201-E244 HydrophobicContact CE2-CB 4.3Å; Y201-E244 VanDerWaalsContact CE2-OE2 3.3Å; Y201-E244 WeakPolarHBondContact CE2-OE2 3.39Å; D240-E244 PolarHBondContact O-N 3.17Å; D240-E244 VanDerWaalsContact O-N 3.11Å; L241-E244 WeakPolarHBondContact O-CB 3.4Å; L241-E244 PolarHBondContact O-N 3.27Å; L242-E244 VanDerWaalsContact C-N 3.29Å; L242-E244 PolarHBondContact O-N 3.29Å; E244-A247 PolarHBondContact O-N 2.97Å; E244-N248 PolarHBondContact O-N 3.36Å
245I88.9Confident89.4Confident1 Ų150.1 Ų50.11%0.00527%0.271CS..Hα-helixtrans-63.1-44.8174.9-65.2161.1000111.1L212 L241 L242 K243 A247 N248 I252 L254 W338 F342 I345L212-I245 HydrophobicContact CD2-CD1 3.71Å; L212-I245 HydrophobicContact CD2-CG1 4.4Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.44Å; L241-I245 VanDerWaalsContact O-N 3.13Å; L242-I245 HydrophobicContact CD1-CD1 4.33Å; L242-I245 WeakPolarHBondContact O-CB 3.41Å; L242-I245 PolarHBondContact O-N 3.06Å; K243-I245 VanDerWaalsContact C-N 3.35Å; I245-A247 PolarHBondContact O-N 3.04Å; I245-N248 CarbonylContact O-C 3.6Å; I245-N248 PolarHBondContact O-N 2.71Å; I245-I252 HydrophobicContact CB-CD1 3.86Å; I245-I252 HydrophobicContact CG1-CD1 3.48Å; I245-I252 VanDerWaalsContact CG1-CD1 3.48Å; I245-I252 HydrophobicContact CG1-CG1 4.42Å; I245-I252 HydrophobicContact CG1-CG2 4.48Å; I245-I252 HydrophobicContact CG2-CD1 4.02Å; I245-L254 HydrophobicContact CG2-CD2 4.23Å; I245-W338 HydrophobicContact CD1-CE3 4.18Å; I245-W338 HydrophobicContact CD1-CH2 3.48Å; I245-W338 VanDerWaalsContact CD1-CH2 3.48Å; I245-W338 HydrophobicContact CD1-CZ3 3.26Å; I245-F342 HydrophobicContact CD1-CE1 4.44Å; I245-F342 HydrophobicContact CG2-CE1 4.3Å; I245-I345 HydrophobicContact CG2-CD1 4.11Å
246E89.8Confident89Confident99 Ų9951 Ų5146%0.46328%0.28SS..Hα-helixtrans-59.8-34.1176.1-71.9174.4154.800111.9L242 K243 T341L242-E246 WeakPolarHBondContact O-CG 3.44Å; L242-E246 PolarHBondContact O-N 2.74Å; K243-E246 PolarHBondContact O-N 2.84Å; E246-T341 HydrophobicContact CG-CG2 4.09Å; E246-T341 WeakPolarHBondContact OE1-CG2 3.2Å
247A88.7Confident88.9Confident68 Ų6846.4 Ų46.456%0.56226%0.257SS*.Hα-helixtrans-76.6-32.1177.700000113.4K243 E244 I245K243-A247 WeakPolarHBondContact O-CB 3.49Å; K243-A247 PolarHBondContact O-N 3.18Å; E244-A247 PolarHBondContact O-N 2.97Å; I245-A247 PolarHBondContact O-N 3.04Å
248N85.9Confident88.9Confident73 Ų7346.1 Ų46.139%0.3926%0.256SS..  trans-132.160.5-172.5-58.3-61.9000113.3E244 I245 N250 E251 I252E244-N248 PolarHBondContact O-N 3.36Å; I245-N248 CarbonylContact O-C 3.6Å; I245-N248 PolarHBondContact O-N 2.71Å; N248-N250 VanDerWaalsContact C-N 3.29Å; N248-N250 PolarHBondContact O-N 2.88Å; N248-E251 PolarHBondContact O-N 3.5Å; N248-I252 WeakPolarHBondContact O-CD1 3.35Å
249P83.5Confident88.8Confident40 Ų4049 Ų4926%0.2627%0.271SS..G310 helixtrans-62.8-29.9-17123.9-34.9000114.5E251 I345P249-E251 VanDerWaalsContact C-N 3.28Å; P249-E251 PolarHBondContact O-N 3.38Å; P249-I345 HydrophobicContact CB-CD1 4.26Å; P249-I345 HydrophobicContact CB-CG1 4.4Å; P249-I345 HydrophobicContact CB-CG2 3.58Å
250N79.1Confident88.7Confident165 Ų16548.4 Ų48.488%0.88227%0.268SS*.G310 helixtrans-75.9-11.4-174.2-64.4-24.8000114.3N248N248-N250 VanDerWaalsContact C-N 3.29Å; N248-N250 PolarHBondContact O-N 2.88Å
251E76Confident88.9Confident95 Ų9546 Ų4644%0.44426%0.255SS..G310 helixtrans-95.4-5.3-175.2-58.4-161.8157.600113.5K207 N248 P249K207-E251 WeakPolarHBondContact CE-OE2 3.31Å; K207-E251 IonicContact NZ-OE1 3.08Å; K207-E251 PolarHBondContact NZ-OE1 2.91Å; K207-E251 IonicContact NZ-OE2 3.18Å; K207-E251 PolarHBondContact NZ-OE2 3.04Å; N248-E251 PolarHBondContact O-N 3.5Å; P249-E251 VanDerWaalsContact C-N 3.28Å; P249-E251 PolarHBondContact O-N 3.38Å
252I77.9Confident89.1Confident16 Ų1646.2 Ų46.28%0.08226%0.256CS..SBendtrans-119130.5-164.4-71.7147.2000110.9I245 N248 L254 M257I245-I252 HydrophobicContact CB-CD1 3.86Å; I245-I252 HydrophobicContact CG1-CD1 3.48Å; I245-I252 VanDerWaalsContact CG1-CD1 3.48Å; I245-I252 HydrophobicContact CG1-CG1 4.42Å; I245-I252 HydrophobicContact CG1-CG2 4.48Å; I245-I252 HydrophobicContact CG2-CD1 4.02Å; N248-I252 WeakPolarHBondContact O-CD1 3.35Å; I252-L254 VanDerWaalsContact C-N 3.31Å; I252-L254 HydrophobicContact CG2-CD2 3.94Å; I252-L254 PolarHBondContact O-N 2.73Å; I252-M257 HydrophobicContact CG2-CE 3.13Å
253A84.8Confident89.2Confident42 Ų4249 Ų4935%0.34727%0.274SS..  trans-75.777.1176.300000111.3D255 T256A253-D255 WeakPolarHBondContact CA-OD1 3.31Å; A253-D255 WeakPolarHBondContact CB-OD1 3.34Å; A253-D255 PolarHBondContact O-N 2.99Å; A253-T256 HydrophobicContact CB-CG2 3.91Å; A253-T256 WeakPolarHBondContact CB-OG1 3.47Å; A253-T256 PolarHBondContact O-N 3.49Å; A253-T256 VanDerWaalsContact O-N 3.12Å; A253-T256 PolarHBondContact O-OG1 2.97Å
254L89.7Confident89.5Confident9 Ų944.5 Ų44.55%0.04725%0.254CS..Hα-helixtrans-55.5-36.8-179.1-60.9178.2000112.5I245 I252 T256 M257 I258 F342 I345 M350I245-L254 HydrophobicContact CG2-CD2 4.23Å; I252-L254 VanDerWaalsContact C-N 3.31Å; I252-L254 HydrophobicContact CG2-CD2 3.94Å; I252-L254 PolarHBondContact O-N 2.73Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.95Å; L254-M257 HydrophobicContact CD2-CE 4.24Å; L254-M257 PolarHBondContact O-N 3.32Å; L254-M257 VanDerWaalsContact O-N 3.13Å; L254-I258 PolarHBondContact O-N 3.06Å; L254-F342 HydrophobicContact CB-CD2 4.24Å; L254-F342 HydrophobicContact CB-CE2 4.34Å; L254-F342 HydrophobicContact CD2-CD1 3.92Å; L254-F342 HydrophobicContact CD2-CD2 4.07Å; L254-F342 HydrophobicContact CD2-CE1 3.8Å; L254-F342 HydrophobicContact CD2-CE2 3.94Å; L254-F342 HydrophobicContact CD2-CG 4.08Å; L254-F342 HydrophobicContact CD2-CZ 3.82Å; L254-I345 HydrophobicContact CD1-CG2 4.26Å; L254-M350 HydrophobicContact CB-CE 3.93Å; L254-M350 HydrophobicContact CD1-CE 4.31Å
255D88.4Confident89.9Confident62 Ų6242.9 Ų42.933%0.33225%0.246SC..Hα-helixtrans-56.7-36.8176.962.4-56000113.3A253 M257 Y353A253-D255 WeakPolarHBondContact CA-OD1 3.31Å; A253-D255 WeakPolarHBondContact CB-OD1 3.34Å; A253-D255 PolarHBondContact O-N 2.99Å; D255-M257 VanDerWaalsContact C-N 3.33Å; D255-Y353 HydrophobicContact CB-CE2 4.43Å; D255-Y353 WeakPolarHBondContact CB-OH 3.3Å
256T88.9Confident90.1Very high68 Ų6845.2 Ų45.242%0.41726%0.255SS..Hα-helixtrans-77-21.3179.964.60000113P213 A253 L254P213-T256 VanDerWaalsContact CB-OG1 3.29Å; P213-T256 WeakPolarHBondContact CB-OG1 3.42Å; P213-T256 VanDerWaalsContact CG-OG1 3.32Å; P213-T256 WeakPolarHBondContact CG-OG1 3.42Å; A253-T256 HydrophobicContact CB-CG2 3.91Å; A253-T256 WeakPolarHBondContact CB-OG1 3.47Å; A253-T256 PolarHBondContact O-N 3.49Å; A253-T256 VanDerWaalsContact O-N 3.12Å; A253-T256 PolarHBondContact O-OG1 2.97Å; L254-T256 VanDerWaalsContact C-N 3.28Å; L254-T256 PolarHBondContact O-N 2.95Å
257M94.2Very high90.2Very high0 Ų043 Ų430%025%0.246CC..Hα-helixtrans-100.6-32.5-174.6-72.5-170.9-63.600113.7L212 P213 L216 I252 L254 D255 N259 S260 L261 W338 F342L212-M257 HydrophobicContact CB-SD 4.47Å; L212-M257 HydrophobicContact CD2-SD 3.83Å; L212-M257 HydrophobicContact CG-SD 3.82Å; P213-M257 HydrophobicContact CB-CG 4.04Å; P213-M257 HydrophobicContact CG-CG 3.98Å; P213-M257 HydrophobicContact CG-SD 4.3Å; L216-M257 HydrophobicContact CD2-CB 3.66Å; L216-M257 HydrophobicContact CD2-CG 3.79Å; L216-M257 HydrophobicContact CD2-SD 3.91Å; I252-M257 HydrophobicContact CG2-CE 3.13Å; L254-M257 HydrophobicContact CD2-CE 4.24Å; L254-M257 PolarHBondContact O-N 3.32Å; L254-M257 VanDerWaalsContact O-N 3.13Å; D255-M257 VanDerWaalsContact C-N 3.33Å; M257-N259 PolarHBondContact O-N 2.94Å; M257-S260 PolarHBondContact O-N 3.48Å; M257-L261 PolarHBondContact O-N 3.31Å; M257-W338 HydrophobicContact SD-CZ3 4.45Å; M257-F342 HydrophobicContact CB-CE2 3.88Å; M257-F342 HydrophobicContact CB-CZ 4.14Å; M257-F342 HydrophobicContact CE-CE2 4.14Å; M257-F342 HydrophobicContact CE-CZ 3.61Å; M257-F342 HydrophobicContact SD-CZ 4.44Å
258I95.7Very high90.3Very high0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-57.3-35.9-173.3-172.858.4000112.6L254 S260 L261 I262 I339 F342 M350 Y353 I357L254-I258 PolarHBondContact O-N 3.06Å; I258-S260 PolarHBondContact O-N 3.23Å; I258-L261 HydrophobicContact CD1-CD1 4.42Å; I258-L261 WeakPolarHBondContact O-CB 3.46Å; I258-L261 PolarHBondContact O-N 2.67Å; I258-I262 HydrophobicContact CD1-CG1 4.49Å; I258-I262 HydrophobicContact CG1-CD1 3.95Å; I258-I262 HydrophobicContact CG1-CG1 4.39Å; I258-I262 VanDerWaalsContact O-CG1 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.19Å; I258-I262 PolarHBondContact O-N 2.82Å; I258-I339 HydrophobicContact CD1-CG1 4.14Å; I258-F342 HydrophobicContact CB-CD2 4.29Å; I258-F342 HydrophobicContact CD1-CD2 4.06Å; I258-M350 HydrophobicContact CD1-SD 4.3Å; I258-M350 HydrophobicContact CG1-SD 4.17Å; I258-Y353 HydrophobicContact CG1-CG 4.36Å; I258-Y353 HydrophobicContact CG2-CD1 3.5Å; I258-Y353 VanDerWaalsContact CG2-CD1 3.5Å; I258-Y353 HydrophobicContact CG2-CD2 3.96Å; I258-Y353 HydrophobicContact CG2-CE1 3.63Å; I258-Y353 HydrophobicContact CG2-CE2 4.09Å; I258-Y353 HydrophobicContact CG2-CG 3.68Å; I258-I357 HydrophobicContact CD1-CD1 4.31Å; I258-I357 HydrophobicContact CD1-CG1 4.34Å; I258-I357 HydrophobicContact CG1-CD1 4.42Å; I258-I357 HydrophobicContact CG1-CG1 4.47Å
259N94.8Very high90.4Very high61 Ų6136.5 Ų36.533%0.32620%0.203SC..Hα-helixtrans-64.4-41.1178-73.8-36.1000112.6M257 L261 I262 V263M257-N259 PolarHBondContact O-N 2.94Å; N259-L261 VanDerWaalsContact C-N 3.32Å; N259-L261 PolarHBondContact O-N 3.29Å; N259-I262 PolarHBondContact O-N 2.9Å; N259-V263 WeakPolarHBondContact O-CG2 3.38Å; N259-V263 PolarHBondContact O-N 3.33Å
260S94.8Very high90.6Very high25 Ų2536.4 Ų36.418%0.17520%0.201CC..Hα-helixtrans-62.3-42.1174.4-59.30000111M257 I258 V263 H264M257-S260 PolarHBondContact O-N 3.48Å; I258-S260 PolarHBondContact O-N 3.23Å; S260-V263 PolarHBondContact O-N 3.38Å; S260-H264 PolarHBondContact O-CD2 3.38Å; S260-H264 PolarHBondContact O-N 3.24Å
261L97.7Very high90.9Very high0 Ų030 Ų300%017%0.171CC..Hα-helixtrans-63.7-43.2177.4-61.8173.2000112.3L216 F220 M257 I258 N259 V263 H264 C265 W338 I339 F342L216-L261 HydrophobicContact CD2-CD2 4.02Å; L216-L261 HydrophobicContact CD2-CG 4.14Å; F220-L261 HydrophobicContact CD2-CD2 4.36Å; F220-L261 HydrophobicContact CE2-CD2 3.48Å; F220-L261 VanDerWaalsContact CE2-CD2 3.48Å; F220-L261 HydrophobicContact CZ-CD2 3.57Å; M257-L261 PolarHBondContact O-N 3.31Å; I258-L261 HydrophobicContact CD1-CD1 4.42Å; I258-L261 WeakPolarHBondContact O-CB 3.46Å; I258-L261 PolarHBondContact O-N 2.67Å; N259-L261 VanDerWaalsContact C-N 3.32Å; N259-L261 PolarHBondContact O-N 3.29Å; L261-V263 PolarHBondContact O-N 3.03Å; L261-H264 PolarHBondContact O-N 3.27Å; L261-C265 WeakPolarHBondContact O-CB 3.39Å; L261-C265 PolarHBondContact O-N 3.03Å; L261-W338 HydrophobicContact CD1-CB 3.66Å; L261-W338 HydrophobicContact CD1-CE3 4.23Å; L261-W338 HydrophobicContact CD2-CB 3.63Å; L261-W338 HydrophobicContact CD2-CD2 4.21Å; L261-W338 HydrophobicContact CD2-CE3 4.23Å; L261-W338 HydrophobicContact CD2-CG 4Å; L261-W338 HydrophobicContact CG-CB 4.27Å; L261-I339 HydrophobicContact CB-CD1 4.24Å; L261-I339 HydrophobicContact CB-CG1 3.83Å; L261-I339 HydrophobicContact CD1-CG1 4.37Å; L261-F342 HydrophobicContact CD1-CD2 3.99Å; L261-F342 HydrophobicContact CD1-CE1 4.45Å; L261-F342 HydrophobicContact CD1-CE2 3.59Å; L261-F342 HydrophobicContact CD1-CZ 3.83Å
262I97.7Very high91.2Very high5 Ų525.7 Ų25.73%0.02615%0.152CC..Hα-helixtrans-57.7-48.4174.8-73.7165.3000110.3I258 N259 C265 R266 G356 I357 A360I258-I262 HydrophobicContact CD1-CG1 4.49Å; I258-I262 HydrophobicContact CG1-CD1 3.95Å; I258-I262 HydrophobicContact CG1-CG1 4.39Å; I258-I262 VanDerWaalsContact O-CG1 3.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.19Å; I258-I262 PolarHBondContact O-N 2.82Å; N259-I262 PolarHBondContact O-N 2.9Å; I262-C265 PolarHBondContact O-N 3.25Å; I262-R266 WeakPolarHBondContact O-CB 3.48Å; I262-R266 VanDerWaalsContact O-CG 3.26Å; I262-R266 WeakPolarHBondContact O-CG 3.3Å; I262-R266 PolarHBondContact O-N 3.43Å; I262-G356 WeakPolarHBondContact CG2-O 3.45Å; I262-I357 HydrophobicContact CD1-CG1 3.91Å; I262-I357 HydrophobicContact CG1-CG1 4.17Å; I262-A360 HydrophobicContact CG2-CB 4.21Å
263V96.9Very high91.2Very high61 Ų6125.8 Ų25.837%0.3716%0.155SC..Hα-helixtrans-61.2-49.5179.7170.30000111N259 S260 L261 R266 L267N259-V263 WeakPolarHBondContact O-CG2 3.38Å; N259-V263 PolarHBondContact O-N 3.33Å; S260-V263 PolarHBondContact O-N 3.38Å; L261-V263 PolarHBondContact O-N 3.03Å; V263-R266 PolarHBondContact O-N 2.96Å; V263-L267 HydrophobicContact CG1-CD1 3.76Å; V263-L267 HydrophobicContact CG1-CG 4.37Å; V263-L267 WeakPolarHBondContact O-CB 3.12Å; V263-L267 VanDerWaalsContact O-CG 3.32Å; V263-L267 WeakPolarHBondContact O-CG 3.24Å; V263-L267 PolarHBondContact O-N 3.43Å
264H96.9Very high90.9Very high10 Ų1027.3 Ų27.35%0.04616%0.157CC..Hα-helixtrans-65.4-40.4179.5-79.4-67.3000112.8D217 F220 S260 L261 S268D217-H264 PolarHBondContact O-NE2 3.45Å; D217-H264 IonicContact OD1-CD2 3.71Å; D217-H264 IonicContact OD1-CE1 3.64Å; D217-H264 IonicContact OD1-NE2 3.18Å; D217-H264 PolarHBondContact OD1-NE2 3.43Å; F220-H264 HydrophobicContact CB-CB 4.41Å; F220-H264 VanDerWaalsContact CB-CD2 3.41Å; F220-H264 WeakPolarHBondContact CB-CD2 3.46Å; F220-H264 WeakPolarHBondContact CB-NE2 3.17Å; F220-H264 HydrophobicContact CD1-CB 3.94Å; F220-H264 HydrophobicContact CG-CB 4.33Å; F220-H264 AromaticContact CG-CD2 3.91Å; F220-H264 AromaticContact CG-CG 3.98Å; S260-H264 PolarHBondContact O-CD2 3.38Å; S260-H264 PolarHBondContact O-N 3.24Å; L261-H264 PolarHBondContact O-N 3.27Å; H264-S268 VanDerWaalsContact O-CB 3.3Å; H264-S268 WeakPolarHBondContact O-CB 3.13Å; H264-S268 PolarHBondContact O-N 2.81Å; H264-S268 PolarHBondContact O-OG 3.23Å
265C96.8Very high90Very high0 Ų028 Ų280%016%0.164CC..Hα-helixtrans-61-44.9175-173.70000111.2L261 I262 S268 A269 A335 I339 A360L261-C265 WeakPolarHBondContact O-CB 3.39Å; L261-C265 PolarHBondContact O-N 3.03Å; I262-C265 PolarHBondContact O-N 3.25Å; C265-S268 PolarHBondContact O-OG 3.49Å; C265-S268 VanDerWaalsContact O-OG 3.04Å; C265-A269 WeakPolarHBondContact O-CB 3.45Å; C265-A269 PolarHBondContact O-N 3.23Å; C265-A335 HydrophobicContact CB-CB 3.78Å; C265-I339 HydrophobicContact CB-CD1 3.92Å; C265-A360 HydrophobicContact CB-CB 4.09Å
266R93.7Very high88.8Confident51 Ų5126 Ų2619%0.19215%0.153CC..Hα-helixtrans-63.5-52.2177.5-76.6176.463.6-175.6-5.4112.3I262 V263 S268 A269 T270 S295 A360I262-R266 WeakPolarHBondContact O-CB 3.48Å; I262-R266 VanDerWaalsContact O-CG 3.26Å; I262-R266 WeakPolarHBondContact O-CG 3.3Å; I262-R266 PolarHBondContact O-N 3.43Å; V263-R266 PolarHBondContact O-N 2.96Å; R266-S268 VanDerWaalsContact C-N 3.33Å; R266-S268 PolarHBondContact O-N 2.8Å; R266-A269 PolarHBondContact O-N 3.07Å; R266-T270 WeakPolarHBondContact O-CG2 3.11Å; R266-T270 PolarHBondContact O-N 3.42Å; R266-T270 PolarHBondContact O-OG1 3.04Å; R266-S295 VanDerWaalsContact CZ-O 3.23Å; R266-S295 PolarHBondContact NH1-O 3.43Å; R266-S295 PolarHBondContact NH2-O 3.48Å; R266-A360 VanDerWaalsContact CG-CA 3.4Å; R266-A360 HydrophobicContact CG-CB 3.49Å; R266-A360 VanDerWaalsContact CG-CB 3.49Å
267L92.3Very high87.7Confident52 Ų5226.9 Ų26.927%0.27215%0.154SC..Hα-helixtrans-59.4-46.9-178.2-70.9173.4000110.8V263 T270 A271V263-L267 HydrophobicContact CG1-CD1 3.76Å; V263-L267 HydrophobicContact CG1-CG 4.37Å; V263-L267 WeakPolarHBondContact O-CB 3.12Å; V263-L267 VanDerWaalsContact O-CG 3.32Å; V263-L267 WeakPolarHBondContact O-CG 3.24Å; V263-L267 PolarHBondContact O-N 3.43Å; L267-T270 PolarHBondContact O-N 3.41Å; L267-T270 PolarHBondContact O-OG1 3.39Å; L267-A271 WeakPolarHBondContact O-CB 3.21Å; L267-A271 PolarHBondContact O-N 3.01Å
268S90.3Very high86Confident0 Ų031 Ų310%019%0.188CC..Hα-helixtrans-66-38.9178570000113.1H264 C265 R266 A271 C272 E328 Q332H264-S268 VanDerWaalsContact O-CB 3.3Å; H264-S268 WeakPolarHBondContact O-CB 3.13Å; H264-S268 PolarHBondContact O-N 2.81Å; H264-S268 PolarHBondContact O-OG 3.23Å; C265-S268 PolarHBondContact O-OG 3.49Å; C265-S268 VanDerWaalsContact O-OG 3.04Å; R266-S268 VanDerWaalsContact C-N 3.33Å; R266-S268 PolarHBondContact O-N 2.8Å; S268-A271 PolarHBondContact O-N 3.38Å; S268-C272 WeakPolarHBondContact O-CB 3.32Å; S268-C272 PolarHBondContact O-N 2.89Å; S268-C272 PolarHBondContact O-SG 2.98Å; S268-E328 VanDerWaalsContact CB-O 3.3Å; S268-E328 WeakPolarHBondContact CB-O 3.45Å; S268-Q332 WeakPolarHBondContact OG-CA 3.39Å; S268-Q332 VanDerWaalsContact OG-CB 3.3Å; S268-Q332 WeakPolarHBondContact OG-CB 3.34Å; S268-Q332 PolarHBondContact OG-N 3.29Å
269A88.2Confident84.1Confident5 Ų534.6 Ų34.64%0.04121%0.207CC..Hα-helixtrans-62.1-44.6173.900000112C265 R266 C272 A273C265-A269 WeakPolarHBondContact O-CB 3.45Å; C265-A269 PolarHBondContact O-N 3.23Å; R266-A269 PolarHBondContact O-N 3.07Å; A269-C272 PolarHBondContact O-N 3.18Å; A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.49Å
270T86.8Confident82Confident37 Ų3739.6 Ų39.623%0.22723%0.226CC..Hα-helixtrans-64.2-41.3176.6580000112.2R266 L267 A273 L274 L292R266-T270 WeakPolarHBondContact O-CG2 3.11Å; R266-T270 PolarHBondContact O-N 3.42Å; R266-T270 PolarHBondContact O-OG1 3.04Å; L267-T270 PolarHBondContact O-N 3.41Å; L267-T270 PolarHBondContact O-OG1 3.39Å; T270-A273 PolarHBondContact O-N 3.18Å; T270-L274 WeakPolarHBondContact O-CG 3.24Å; T270-L274 PolarHBondContact O-N 3.18Å; T270-L292 HydrophobicContact CG2-CD2 4.12Å; T270-L292 HydrophobicContact CG2-CG 4.38Å
271A85.8Confident79.3Confident30 Ų3043.8 Ų43.825%0.24825%0.253CS..Hα-helixtrans-63.2-43.7176.600000111.6L267 S268 A273 L274 A275 E328L267-A271 WeakPolarHBondContact O-CB 3.21Å; L267-A271 PolarHBondContact O-N 3.01Å; S268-A271 PolarHBondContact O-N 3.38Å; A271-A273 VanDerWaalsContact C-N 3.34Å; A271-A273 PolarHBondContact O-N 3Å; A271-L274 PolarHBondContact O-N 3.21Å; A271-A275 PolarHBondContact O-N 3.47Å; A271-E328 HydrophobicContact CB-CB 4.19Å; A271-E328 HydrophobicContact CB-CG 3.8Å
272C82.9Confident76.1Confident6 Ų649.1 Ų49.14%0.04129%0.29CS..Hα-helixtrans-60.6-42.5174.9-69.50000112S268 A269 D276S268-C272 WeakPolarHBondContact O-CB 3.32Å; S268-C272 PolarHBondContact O-N 2.89Å; S268-C272 PolarHBondContact O-SG 2.98Å; A269-C272 PolarHBondContact O-N 3.18Å; C272-D276 PolarHBondContact O-N 3.33Å
273A78.2Confident73Confident17 Ų1754.5 Ų54.514%0.1433%0.328CS..Hα-helixtrans-68.6-41.4179.300000113.3A269 T270 A271 A275 D276 I277 M366A269-A273 WeakPolarHBondContact O-CB 3.41Å; A269-A273 PolarHBondContact O-N 3.49Å; T270-A273 PolarHBondContact O-N 3.18Å; A271-A273 VanDerWaalsContact C-N 3.34Å; A271-A273 PolarHBondContact O-N 3Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.86Å; A273-D276 PolarHBondContact O-N 3.37Å; A273-I277 WeakPolarHBondContact O-CG1 3.17Å; A273-I277 PolarHBondContact O-N 2.96Å; A273-M366 HydrophobicContact CB-CE 3.94Å; A273-M366 HydrophobicContact CB-SD 4.21Å
274L78.3Confident70.1Confident74 Ų7456.8 Ų56.839%0.38734%0.344SS..Hα-helixtrans-63.4-38.9178.4-74.5174.1000112.1T270 A271 D276 I277 A278 L292T270-L274 WeakPolarHBondContact O-CG 3.24Å; T270-L274 PolarHBondContact O-N 3.18Å; A271-L274 PolarHBondContact O-N 3.21Å; L274-D276 VanDerWaalsContact C-N 3.31Å; L274-D276 PolarHBondContact O-N 2.83Å; L274-I277 PolarHBondContact O-N 3.24Å; L274-A278 PolarHBondContact O-N 2.71Å; L274-A278 VanDerWaalsContact O-N 3.12Å; L274-L292 HydrophobicContact CD2-CD2 4.33Å; L274-L292 HydrophobicContact CG-CD2 4.33Å
275A70.3Confident66.9Low24 Ų2468 Ų6820%0.19839%0.386CS..Hα-helixtrans-67.6-31177.100000113A271 A273 A278 L279 N325A271-A275 PolarHBondContact O-N 3.47Å; A273-A275 VanDerWaalsContact C-N 3.31Å; A273-A275 PolarHBondContact O-N 2.86Å; A275-A278 PolarHBondContact O-N 3.18Å; A275-L279 WeakPolarHBondContact O-CG 3.23Å; A275-L279 PolarHBondContact O-N 2.82Å; A275-N325 WeakPolarHBondContact CB-ND2 3.37Å; A275-N325 VanDerWaalsContact CB-OD1 3.23Å; A275-N325 WeakPolarHBondContact CB-OD1 3.41Å
276D64.7Low63.5Low20 Ų2073.6 Ų73.611%0.10742%0.416CS..Hα-helixtrans-68.6-38.2173.2-74.8-18.1000112.6C272 A273 L274 A278 L279 K280 R377C272-D276 PolarHBondContact O-N 3.33Å; A273-D276 PolarHBondContact O-N 3.37Å; L274-D276 VanDerWaalsContact C-N 3.31Å; L274-D276 PolarHBondContact O-N 2.83Å; D276-A278 VanDerWaalsContact C-N 3.27Å; D276-A278 PolarHBondContact O-N 3.19Å; D276-L279 PolarHBondContact O-N 3.4Å; D276-L279 VanDerWaalsContact O-N 3.17Å; D276-K280 PolarHBondContact O-N 3.47Å; D276-R377 IonicContact OD1-CZ 3.76Å; D276-R377 IonicContact OD1-NH1 2.94Å; D276-R377 PolarHBondContact OD1-NH1 3Å; D276-R377 IonicContact OD1-NH2 3.6Å; D276-R377 PolarHBondContact OD1-NH2 3.08Å; D276-R377 IonicContact OD2-CZ 3.69Å; D276-R377 IonicContact OD2-NH1 3.38Å; D276-R377 PolarHBondContact OD2-NH1 3.48Å; D276-R377 IonicContact OD2-NH2 3.92Å; D276-R377 PolarHBondContact OD2-NH2 3.18Å
277I64.5Low60.6Low86 Ų8676.4 Ų76.444%0.44144%0.443SS..Hα-helixtrans-63.4-39175.3-64.3168.4000110A273 L274 L279 K280 F289A273-I277 WeakPolarHBondContact O-CG1 3.17Å; A273-I277 PolarHBondContact O-N 2.96Å; L274-I277 PolarHBondContact O-N 3.24Å; I277-L279 PolarHBondContact O-N 3.48Å; I277-K280 PolarHBondContact O-N 3.32Å; I277-F289 HydrophobicContact CG2-CE1 4.43Å; I277-F289 HydrophobicContact CG2-CZ 4.46Å
278A59.1Low57.6Low86 Ų8681.5 Ų81.571%0.71147%0.466SS*.Hα-helixtrans-64.6-24176.600000113.5L274 A275 D276L274-A278 PolarHBondContact O-N 2.71Å; L274-A278 VanDerWaalsContact O-N 3.12Å; A275-A278 PolarHBondContact O-N 3.18Å; D276-A278 VanDerWaalsContact C-N 3.27Å; D276-A278 PolarHBondContact O-N 3.19Å
279L56.5Low54.6Low76 Ų7687.9 Ų87.940%0.39849%0.494SS..Hα-helixtrans-82.5-16.9177.2-71.5169.2000113.7A275 D276 I277 P281A275-L279 WeakPolarHBondContact O-CG 3.23Å; A275-L279 PolarHBondContact O-N 2.82Å; D276-L279 PolarHBondContact O-N 3.4Å; D276-L279 VanDerWaalsContact O-N 3.17Å; I277-L279 PolarHBondContact O-N 3.48Å; L279-P281 VanDerWaalsContact O-CD 3.25Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å
280K48.9Very low51.7Low167 Ų16791.1 Ų91.173%0.72652%0.516SS*.  trans-75.6114.8178.4-87.5-177.9176.4177.50110.5D276 I277D276-K280 PolarHBondContact O-N 3.47Å; I277-K280 PolarHBondContact O-N 3.32Å
281P38Very low49.1Very low113 Ų11394 Ų9473%0.73453%0.53SS*.  trans-73.1132.4170.629.4-25.7000108.5L279L279-P281 VanDerWaalsContact O-CD 3.25Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å
282S32.3Very low46.5Very low112 Ų11295.8 Ų95.878%0.78354%0.535SS*.  trans61.7100.3167.754.70000118.8
283S32.4Very low44Very low118 Ų118101.6 Ų101.683%0.82556%0.561SS**  trans-161.5148.7137.6-97.80000110.3
284P36.2Very low41.7Very low109 Ų109105.8 Ų105.871%0.70858%0.581SS**  trans-65.5148.6-169.127.4-32.6000110.9N286P284-N286 PolarHBondContact O-N 3.31Å
285R28.5Very low39.5Very low246 Ų246103.7 Ų103.793%0.92857%0.573SS**  trans-53.781.2176.7-66.9176-170.2168.62.1111.1
286N26.6Very low37.4Very low116 Ų116106.4 Ų106.462%0.6259%0.591SS**  trans-75.3129.7159.9-89.2-10.3000107.4P284 Q288P284-N286 PolarHBondContact O-N 3.31Å; N286-Q288 PolarHBondContact O-N 3.45Å
287S31.7Very low35.8Very low111 Ų111108.6 Ų108.678%0.77660%0.602SS**SBendtrans-64.432-178.744.50000114.5F289S287-F289 PolarHBondContact O-N 3.5Å
288Q29.5Very low34Very low159 Ų159107.5 Ų107.574%0.74360%0.599SS**G310 helixtrans-80.35.3176.5-70.5-173.1-1000113.7N286 S290N286-Q288 PolarHBondContact O-N 3.45Å; Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.43Å
289F27.1Very low32.7Very low133 Ų133109.5 Ų109.558%0.58360%0.602SS**G310 helixtrans-73.1-11.1-176-75.3-77.8000115I277 S287I277-F289 HydrophobicContact CG2-CE1 4.43Å; I277-F289 HydrophobicContact CG2-CZ 4.46Å; S287-F289 PolarHBondContact O-N 3.5Å
290S27.9Very low31.2Very low73 Ų73111 Ų11151%0.5161%0.611SS.*G310 helixtrans-77.7-17.3-178.656.50000114.6Q288Q288-S290 VanDerWaalsContact C-N 3.28Å; Q288-S290 PolarHBondContact O-N 3.43Å
291N31Very low30.3Very low98 Ų98109.7 Ų109.752%0.52462%0.616SS.*THydrogen-bonded Turntrans-91.1-13.2-168.4-70.1-4.1000114.8
292L32.1Very low30Very low68 Ų68106 Ų10636%0.35659%0.593SS.*THydrogen-bonded Turntrans-76.2-27177.2-141.181.4000112.5T270 L274T270-L292 HydrophobicContact CG2-CD2 4.12Å; T270-L292 HydrophobicContact CG2-CG 4.38Å; L274-L292 HydrophobicContact CD2-CD2 4.33Å; L274-L292 HydrophobicContact CG-CD2 4.33Å
293H30.7Very low29.8Very low127 Ų127104.6 Ų104.659%0.58859%0.588SS**THydrogen-bonded Turntrans-83.7-21.8174.8-84.6-43.7000113.5S295H293-S295 VanDerWaalsContact C-N 3.3Å; H293-S295 PolarHBondContact O-N 2.7Å
294N30Very low29.8Very low105 Ų105104.5 Ų104.556%0.56158%0.575SS**  trans-81.31.8-174.5-77.5-2000115.2S296 Q479N294-S296 PolarHBondContact O-N 3.31Å; N294-Q479 PolarHBondContact O-OE1 2.88Å
295S32.4Very low29.5Very low30 Ų30101.2 Ų101.221%0.2155%0.554CS.*  trans-69.414.8174.1-25.50000114.1R266 H293 I297R266-S295 VanDerWaalsContact CZ-O 3.23Å; R266-S295 PolarHBondContact NH1-O 3.43Å; R266-S295 PolarHBondContact NH2-O 3.48Å; H293-S295 VanDerWaalsContact C-N 3.3Å; H293-S295 PolarHBondContact O-N 2.7Å; S295-I297 PolarHBondContact O-N 3.08Å
296S25.4Very low29.5Very low82 Ų8294.5 Ų94.557%0.57354%0.536SS*.  trans-86.190.6-171.1-171.40000112.2N294N294-S296 PolarHBondContact O-N 3.31Å
297I30.2Very low29.6Very low65 Ų6591.9 Ų91.933%0.33353%0.527SS..  trans-106.38.1172.4-62.6165.9000112.5S295 E475 A476S295-I297 PolarHBondContact O-N 3.08Å; I297-E475 HydrophobicContact CD1-CB 3.87Å; I297-E475 HydrophobicContact CD1-CG 3.41Å; I297-E475 VanDerWaalsContact CD1-CG 3.41Å; I297-E475 HydrophobicContact CG1-CG 4.3Å; I297-A476 HydrophobicContact CD1-CB 4.18Å
298V28.5Very low29.4Very low64 Ų6492 Ų9239%0.38852%0.518SS..SBendtrans-125.6136.6175.2-173.70000111.7
299V30.9Very low29.4Very low127 Ų12787.1 Ų87.177%0.7750%0.499SS*.  trans-54.5131-177.7-176.50000111.7T301V299-T301 PolarHBondContact O-N 3.36Å
300D24.4Very low29.4Very low109 Ų10987 Ų8758%0.58350%0.501SS*.  trans-45.4124.9171.5-169.72.3000112.7S302 A303D300-S302 PolarHBondContact OD1-N 3.31Å; D300-A303 PolarHBondContact OD1-N 3.19Å
301T30.3Very low29.4Very low138 Ų13889.9 Ų89.985%0.84751%0.51SS*.SBendtrans-124.410.4162.314.50000113.4V299V299-T301 PolarHBondContact O-N 3.36Å
302S31.4Very low29.2Very low36 Ų3688.4 Ų88.425%0.25251%0.511SS..  trans-161.6115.2160.866.60000111.1R221 D300 Q304 S305R221-S302 PolarHBondContact NH2-OG 3.38Å; D300-S302 PolarHBondContact OD1-N 3.31Å; S302-Q304 PolarHBondContact O-N 3.35Å; S302-S305 PolarHBondContact O-N 3.42Å; S302-S305 PolarHBondContact O-OG 2.87Å
303A28.1Very low29Very low82 Ų8288 Ų8868%0.67852%0.515SS*.THydrogen-bonded Turntrans-56.80.5165.900000114.2D300D300-A303 PolarHBondContact OD1-N 3.19Å
304Q33.8Very low28.9Very low117 Ų11789 Ų8955%0.54752%0.524SS..THydrogen-bonded Turntrans-90.9-11.6178.7-65.8178.7-2.300113.8S302 I306 S307S302-Q304 PolarHBondContact O-N 3.35Å; Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.43Å; Q304-S307 PolarHBondContact O-N 2.96Å
305S30Very low28.7Very low39 Ų3988.5 Ų88.527%0.27353%0.529SS..SBendtrans-71.1-26.7178.958.90000112.9S302 S307 L308S302-S305 PolarHBondContact O-N 3.42Å; S302-S305 PolarHBondContact O-OG 2.87Å; S305-S307 VanDerWaalsContact C-N 3.29Å; S305-S307 PolarHBondContact O-N 2.85Å; S305-L308 PolarHBondContact O-N 3.37Å
306I28.4Very low28.4Very low106 Ų10697.9 Ų97.954%0.54456%0.56SS.*THydrogen-bonded Turntrans-69.2-27177-61.5171.3000111.8Q304 L308 T309Q304-I306 VanDerWaalsContact C-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.43Å; I306-L308 PolarHBondContact O-N 3.26Å; I306-T309 PolarHBondContact O-N 3.24Å; I306-T309 PolarHBondContact O-OG1 3.01Å
307S28.6Very low28.4Very low60 Ų6098.5 Ų98.542%0.4256%0.564SS.*Hα-helixtrans-71.1-16.7-178.3-168.40000113.8Q304 S305Q304-S307 PolarHBondContact O-N 2.96Å; S305-S307 VanDerWaalsContact C-N 3.29Å; S305-S307 PolarHBondContact O-N 2.85Å
308L26.7Very low28.3Very low113 Ų113103.6 Ų103.659%0.59259%0.591SS**Hα-helixtrans-77.8-23.6179.6-84.9161.2000113.3S305 I306S305-L308 PolarHBondContact O-N 3.37Å; I306-L308 PolarHBondContact O-N 3.26Å
309T29.8Very low28.3Very low58 Ų58110.4 Ų110.436%0.35662%0.616SS.*Hα-helixtrans-92.7-27.917657.30000113.1I306 A312I306-T309 PolarHBondContact O-N 3.24Å; I306-T309 PolarHBondContact O-OG1 3.01Å; T309-A312 PolarHBondContact O-N 2.9Å
310Q27.8Very low28.3Very low131 Ų131107.2 Ų107.261%0.61260%0.599SS**Hα-helixtrans-74.6-34.9178.1-78.6-175.3-20.500113.5A312 S313Q310-A312 PolarHBondContact O-N 3.44Å; Q310-A312 VanDerWaalsContact O-N 3.11Å; Q310-S313 PolarHBondContact O-N 3.49Å; Q310-S313 PolarHBondContact O-OG 3.42Å
311N26.5Very low28.8Very low132 Ų132104.2 Ų104.271%0.70659%0.594SS**THydrogen-bonded Turntrans-72.6-4.3176.5-73.7-10.9000113.6
312A28.3Very low29.4Very low67 Ų67103.3 Ų103.355%0.55458%0.584SS**THydrogen-bonded Turntrans-87.4-8.1174.500000113.7T309 Q310T309-A312 PolarHBondContact O-N 2.9Å; Q310-A312 PolarHBondContact O-N 3.44Å; Q310-A312 VanDerWaalsContact O-N 3.11Å
313S28Very low30.1Very low61 Ų61107.7 Ų107.743%0.42760%0.603SS.*SBendtrans-79.1-20.8179.361.10000114.3Q310Q310-S313 PolarHBondContact O-N 3.49Å; Q310-S313 PolarHBondContact O-OG 3.42Å
314D27.6Very low31.3Very low146 Ų146108.2 Ų108.278%0.78160%0.601SS**SBendtrans-105.614-162.2-71.58.1000115.2
315S25.3Very low32.9Very low95 Ų95103.6 Ų103.666%0.66458%0.58SS**  trans-142.863.5172.8-153.80000113.6S317S315-S317 PolarHBondContact O-N 2.95Å
316W26.3Very low35.3Very low227 Ų227104 Ų10486%0.8659%0.585SS**  trans-74.571.8168.4-66.4-18.3000111.4
317S25.9Very low38.1Very low95 Ų95100.1 Ų100.166%0.66457%0.567SS**  trans-92.897.4160.243.90000108.7S315 K319S315-S317 PolarHBondContact O-N 2.95Å; S317-K319 PolarHBondContact O-N 3.48Å
318L28.4Very low41.1Very low172 Ų17299 Ų9990%0.90156%0.555SS**THydrogen-bonded Turntrans-65.330.6-171.5-149.589.5000115.6
319K28.3Very low44Very low207 Ų20794.8 Ų94.890%0.953%0.533SS*.THydrogen-bonded Turntrans-122.710.8-170.1-76.4-166.3176.1-176.40117.1S317S317-K319 PolarHBondContact O-N 3.48Å
320S30.9Very low46.9Very low60 Ų6092.9 Ų92.942%0.4252%0.52SS..  trans-146.170.4172.9-162.40000112.7N322S320-N322 VanDerWaalsContact C-N 3.26Å; S320-N322 PolarHBondContact O-N 2.92Å
321G34.4Very low50Low47 Ų4787.4 Ų87.449%0.48549%0.494SS..THydrogen-bonded Turntrans-69.1-15.3-179.500000115.4
322N43.6Very low53.2Low119 Ų11981.8 Ų81.864%0.63646%0.464SS*.THydrogen-bonded Turntrans-99.5-21.2-172.2-755.8000114.8S320S320-N322 VanDerWaalsContact C-N 3.26Å; S320-N322 PolarHBondContact O-N 2.92Å
323I46.6Very low56.3Low127 Ų12782.7 Ų82.765%0.65145%0.453SS*.THydrogen-bonded Turntrans-99.4-21.1-168-57.9174.7000112.4N325I323-N325 VanDerWaalsContact C-N 3.29Å; I323-N325 PolarHBondContact O-N 2.68Å
324C51.8Low59.5Low93 Ų9380.2 Ų80.263%0.62844%0.436SS*.THydrogen-bonded Turntrans-71.1-14.8-169.6-71.90000115.7
325N68.3Low62.8Low21 Ų2173.3 Ų73.311%0.11240%0.399CS..THydrogen-bonded Turntrans-104.2-9.5-172.7-67.7-7.4000115.8A275 I323 P327 E328 Q329A275-N325 WeakPolarHBondContact CB-ND2 3.37Å; A275-N325 VanDerWaalsContact CB-OD1 3.23Å; A275-N325 WeakPolarHBondContact CB-OD1 3.41Å; I323-N325 VanDerWaalsContact C-N 3.29Å; I323-N325 PolarHBondContact O-N 2.68Å; N325-P327 VanDerWaalsContact C-CD 3.41Å; N325-P327 VanDerWaalsContact C-N 3.32Å; N325-E328 PolarHBondContact O-N 3.49Å; N325-Q329 HydrophobicContact CB-CG 4.27Å; N325-Q329 WeakPolarHBondContact O-CG 3.33Å; N325-Q329 PolarHBondContact O-N 3.41Å
326A79.8Confident66.2Low46 Ų4668.8 Ų68.838%0.3837%0.368SS..Hα-helixtrans-49.5-43.9-179.700000114L330A326-L330 WeakPolarHBondContact O-CB 3.39Å; A326-L330 PolarHBondContact O-N 3.47Å; A326-L330 VanDerWaalsContact O-N 3.07Å
327P88.2Confident69.6Low25 Ų2561.8 Ų61.816%0.16234%0.343CS..Hα-helixtrans-68.3-36.5177.526-34.3000113.2N325 K331N325-P327 VanDerWaalsContact C-CD 3.41Å; N325-P327 VanDerWaalsContact C-N 3.32Å; P327-K331 PolarHBondContact O-N 3.1Å; P327-K331 VanDerWaalsContact O-N 3.11Å
328E89.8Confident73Confident36 Ų3657.5 Ų57.517%0.16831%0.313CS..Hα-helixtrans-71.3-41.7178.7-64.2-56.4136.600111.5S268 A271 N325 L330 K331 Q332S268-E328 VanDerWaalsContact CB-O 3.3Å; S268-E328 WeakPolarHBondContact CB-O 3.45Å; A271-E328 HydrophobicContact CB-CB 4.19Å; A271-E328 HydrophobicContact CB-CG 3.8Å; N325-E328 PolarHBondContact O-N 3.49Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.34Å; E328-K331 PolarHBondContact O-N 3.41Å; E328-K331 WeakPolarHBondContact OE1-CE 3.36Å; E328-K331 IonicContact OE1-NZ 3.1Å; E328-K331 PolarHBondContact OE1-NZ 3.06Å; E328-K331 WeakPolarHBondContact OE2-CE 3.46Å; E328-K331 IonicContact OE2-NZ 3.8Å; E328-K331 PolarHBondContact OE2-NZ 2.86Å; E328-Q332 WeakPolarHBondContact O-CB 3.37Å; E328-Q332 PolarHBondContact O-N 2.87Å
329Q88.9Confident76.3Confident26 Ų2649.3 Ų49.312%0.12127%0.27CS..Hα-helixtrans-60.7-41.1174.6-72.1170-27.300111.7N325 Q332 R333N325-Q329 HydrophobicContact CB-CG 4.27Å; N325-Q329 WeakPolarHBondContact O-CG 3.33Å; N325-Q329 PolarHBondContact O-N 3.41Å; Q329-Q332 PolarHBondContact O-N 3.5Å; Q329-R333 WeakPolarHBondContact O-CB 3.33Å; Q329-R333 PolarHBondContact O-N 2.87Å
330L91.3Very high79.6Confident17 Ų1742.1 Ų42.19%0.08924%0.238CC..Hα-helixtrans-61.5-47175.2178.159.4000111.7L223 R231 E235 A326 E328 Q332 R333 A334L223-L330 HydrophobicContact CD1-CD1 4.46Å; L223-L330 HydrophobicContact CD1-CD2 3.64Å; L223-L330 HydrophobicContact CD1-CG 3.84Å; L223-L330 HydrophobicContact CD2-CG 4.29Å; L223-L330 HydrophobicContact CG-CD2 4.08Å; L223-L330 HydrophobicContact CG-CG 3.95Å; R231-L330 HydrophobicContact CB-CD2 4Å; E235-L330 VanDerWaalsContact CD-CD1 3.48Å; E235-L330 HydrophobicContact CG-CD1 4.19Å; E235-L330 WeakPolarHBondContact OE2-CD1 3.47Å; A326-L330 WeakPolarHBondContact O-CB 3.39Å; A326-L330 PolarHBondContact O-N 3.47Å; A326-L330 VanDerWaalsContact O-N 3.07Å; E328-L330 VanDerWaalsContact C-N 3.31Å; E328-L330 PolarHBondContact O-N 3.34Å; L330-Q332 PolarHBondContact O-N 3.35Å; L330-R333 PolarHBondContact O-N 2.95Å; L330-A334 WeakPolarHBondContact O-CB 3.11Å; L330-A334 PolarHBondContact O-N 3.11Å
331K92.8Very high82.7Confident16 Ų1639.5 Ų39.57%0.0722%0.22CC..Hα-helixtrans-60.4-44174.9-75.4-173.7-64.2173.40112.2F220 L223 P327 E328 A334 A335F220-K331 VanDerWaalsContact O-CD 3.24Å; F220-K331 WeakPolarHBondContact O-CD 3.41Å; L223-K331 HydrophobicContact CB-CG 4.12Å; L223-K331 HydrophobicContact CD2-CG 4.11Å; L223-K331 HydrophobicContact CG-CG 4.12Å; P327-K331 PolarHBondContact O-N 3.1Å; P327-K331 VanDerWaalsContact O-N 3.11Å; E328-K331 PolarHBondContact O-N 3.41Å; E328-K331 WeakPolarHBondContact OE1-CE 3.36Å; E328-K331 IonicContact OE1-NZ 3.1Å; E328-K331 PolarHBondContact OE1-NZ 3.06Å; E328-K331 WeakPolarHBondContact OE2-CE 3.46Å; E328-K331 IonicContact OE2-NZ 3.8Å; E328-K331 PolarHBondContact OE2-NZ 2.86Å; K331-A334 PolarHBondContact O-N 3.43Å; K331-A335 VanDerWaalsContact O-CB 3.31Å; K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 3.22Å
332Q93.5Very high85.6Confident14 Ų1437.3 Ų37.37%0.06520%0.197CC..Hα-helixtrans-59.5-50.5178.1-167.4-175.134.100111S268 E328 Q329 L330 A334 A335 L336 C364S268-Q332 WeakPolarHBondContact OG-CA 3.39Å; S268-Q332 VanDerWaalsContact OG-CB 3.3Å; S268-Q332 WeakPolarHBondContact OG-CB 3.34Å; S268-Q332 PolarHBondContact OG-N 3.29Å; E328-Q332 WeakPolarHBondContact O-CB 3.37Å; E328-Q332 PolarHBondContact O-N 2.87Å; Q329-Q332 PolarHBondContact O-N 3.5Å; L330-Q332 PolarHBondContact O-N 3.35Å; Q332-A334 PolarHBondContact O-N 3.07Å; Q332-A335 PolarHBondContact O-N 2.92Å; Q332-L336 HydrophobicContact CG-CD1 4.07Å; Q332-L336 WeakPolarHBondContact O-CB 3.27Å; Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.04Å; Q332-C364 PolarHBondContact NE2-SG 3.4Å
333R92.5Very high88.1Confident86 Ų8631.7 Ų31.733%0.32517%0.167SC..Hα-helixtrans-62.3-44.4179.6178.4174.156.278.5-7.5111.8E235 Q329 L330 K337E235-R333 IonicContact OE1-CZ 2.63Å; E235-R333 VanDerWaalsContact OE1-CZ 3.27Å; E235-R333 IonicContact OE1-NH1 2.87Å; E235-R333 PolarHBondContact OE1-NH1 3.4Å; E235-R333 IonicContact OE1-NH2 3.14Å; E235-R333 PolarHBondContact OE1-NH2 3.24Å; E235-R333 IonicContact OE2-NH2 3.24Å; Q329-R333 WeakPolarHBondContact O-CB 3.33Å; Q329-R333 PolarHBondContact O-N 2.87Å; L330-R333 PolarHBondContact O-N 2.95Å; R333-K337 WeakPolarHBondContact O-CB 3.3Å; R333-K337 PolarHBondContact O-N 2.93Å
334A95.2Very high90.4Very high10 Ų1029.7 Ų29.78%0.08316%0.155CC..Hα-helixtrans-61.3-46.7176.800000110.8F220 L223 L330 K331 Q332 L336 K337 W338F220-A334 HydrophobicContact CE1-CB 3.8Å; F220-A334 HydrophobicContact CZ-CB 4.13Å; L223-A334 HydrophobicContact CD2-CB 3.5Å; L223-A334 VanDerWaalsContact CD2-CB 3.5Å; L330-A334 WeakPolarHBondContact O-CB 3.11Å; L330-A334 PolarHBondContact O-N 3.11Å; K331-A334 PolarHBondContact O-N 3.43Å; Q332-A334 PolarHBondContact O-N 3.07Å; A334-L336 PolarHBondContact O-N 3.42Å; A334-K337 PolarHBondContact O-N 3.46Å; A334-W338 PolarHBondContact O-N 3.42Å
335A97.3Very high92.3Very high0 Ų028 Ų280%014%0.139CC..Hα-helixtrans-63.7-44.7179.900000111.5F220 C265 K331 Q332 K337 W338 I339F220-A335 HydrophobicContact CE1-CB 3.76Å; F220-A335 HydrophobicContact CZ-CB 4.29Å; C265-A335 HydrophobicContact CB-CB 3.78Å; K331-A335 VanDerWaalsContact O-CB 3.31Å; K331-A335 WeakPolarHBondContact O-CB 3.41Å; K331-A335 PolarHBondContact O-N 3.22Å; Q332-A335 PolarHBondContact O-N 2.92Å; A335-K337 VanDerWaalsContact C-N 3.34Å; A335-K337 PolarHBondContact O-N 2.86Å; A335-W338 PolarHBondContact O-N 2.66Å; A335-I339 VanDerWaalsContact O-CG1 3.27Å; A335-I339 WeakPolarHBondContact O-CG1 3.38Å; A335-I339 PolarHBondContact O-N 3.33Å
336L97.4Very high93.3Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-59.5-43.5174.5-74171.9000111.7Q332 A334 W338 I339 K340 V361 C364 A380 T383 A384 I387Q332-L336 HydrophobicContact CG-CD1 4.07Å; Q332-L336 WeakPolarHBondContact O-CB 3.27Å; Q332-L336 VanDerWaalsContact O-CG 3.3Å; Q332-L336 WeakPolarHBondContact O-CG 3.47Å; Q332-L336 PolarHBondContact O-N 3.04Å; A334-L336 PolarHBondContact O-N 3.42Å; L336-W338 VanDerWaalsContact C-N 3.33Å; L336-W338 PolarHBondContact O-N 3.49Å; L336-I339 PolarHBondContact O-N 2.99Å; L336-K340 WeakPolarHBondContact O-CB 3.46Å; L336-K340 PolarHBondContact O-N 2.94Å; L336-V361 HydrophobicContact CD2-CG2 4.11Å; L336-C364 HydrophobicContact CD1-CB 4.43Å; L336-A380 HydrophobicContact CD1-CB 3.94Å; L336-T383 HydrophobicContact CB-CG2 3.85Å; L336-A384 HydrophobicContact CD2-CB 4.17Å; L336-I387 HydrophobicContact CB-CD1 4.35Å; L336-I387 HydrophobicContact CD2-CD1 3.78Å; L336-I387 WeakPolarHBondContact O-CD1 3.31Å
337K96.4Very high93.9Very high81 Ų8129.3 Ų29.335%0.35214%0.141SC..Hα-helixtrans-60.4-43.8177.5-170.6-176.5178.1-171.90111.4L242 R333 A334 A335 K340 T341L242-K337 HydrophobicContact CD2-CD 3.99Å; L242-K337 HydrophobicContact CD2-CG 3.86Å; R333-K337 WeakPolarHBondContact O-CB 3.3Å; R333-K337 PolarHBondContact O-N 2.93Å; A334-K337 PolarHBondContact O-N 3.46Å; A335-K337 VanDerWaalsContact C-N 3.34Å; A335-K337 PolarHBondContact O-N 2.86Å; K337-K340 WeakPolarHBondContact O-CB 3.26Å; K337-K340 PolarHBondContact O-N 2.82Å; K337-T341 PolarHBondContact O-N 3.34Å; K337-T341 VanDerWaalsContact O-N 3.08Å; K337-T341 PolarHBondContact O-OG1 3.25Å
338W97.7Very high93.9Very high4 Ų431.2 Ų31.22%0.01515%0.148CC..Hα-helixtrans-67.2-43.4177.4-81.864.8000112.7L212 L216 F220 L238 L241 L242 I245 M257 L261 A334 A335 L336 K340 T341 F342L212-W338 HydrophobicContact CD2-CH2 3.85Å; L212-W338 HydrophobicContact CD2-CZ3 4.11Å; L216-W338 HydrophobicContact CD1-CE3 4.2Å; L216-W338 HydrophobicContact CD1-CH2 3.79Å; L216-W338 HydrophobicContact CD1-CZ2 4.21Å; L216-W338 HydrophobicContact CD1-CZ3 3.77Å; L216-W338 HydrophobicContact CD2-CE3 4.43Å; L216-W338 HydrophobicContact CD2-CZ3 4.29Å; F220-W338 HydrophobicContact CZ-CG 4.36Å; L238-W338 HydrophobicContact CB-CZ2 4.43Å; L238-W338 HydrophobicContact CD2-CZ2 3.92Å; L238-W338 WeakPolarHBondContact O-CZ2 3.19Å; L241-W338 HydrophobicContact CB-CH2 4.3Å; L241-W338 HydrophobicContact CB-CZ2 4.31Å; L242-W338 HydrophobicContact CB-CZ2 3.98Å; L242-W338 HydrophobicContact CD1-CB 4.49Å; L242-W338 HydrophobicContact CD1-CD2 3.56Å; L242-W338 HydrophobicContact CD1-CE3 3.83Å; L242-W338 HydrophobicContact CD1-CG 3.87Å; L242-W338 HydrophobicContact CD1-CH2 4.4Å; L242-W338 HydrophobicContact CD1-CZ2 4.18Å; L242-W338 HydrophobicContact CD1-CZ3 4.25Å; L242-W338 HydrophobicContact CD2-CG 4.16Å; L242-W338 HydrophobicContact CG-CD2 4.45Å; I245-W338 HydrophobicContact CD1-CE3 4.18Å; I245-W338 HydrophobicContact CD1-CH2 3.48Å; I245-W338 VanDerWaalsContact CD1-CH2 3.48Å; I245-W338 HydrophobicContact CD1-CZ3 3.26Å; M257-W338 HydrophobicContact SD-CZ3 4.45Å; L261-W338 HydrophobicContact CD1-CB 3.66Å; L261-W338 HydrophobicContact CD1-CE3 4.23Å; L261-W338 HydrophobicContact CD2-CB 3.63Å; L261-W338 HydrophobicContact CD2-CD2 4.21Å; L261-W338 HydrophobicContact CD2-CE3 4.23Å; L261-W338 HydrophobicContact CD2-CG 4Å; L261-W338 HydrophobicContact CG-CB 4.27Å; A334-W338 PolarHBondContact O-N 3.42Å; A335-W338 PolarHBondContact O-N 2.66Å; L336-W338 VanDerWaalsContact C-N 3.33Å; L336-W338 PolarHBondContact O-N 3.49Å; W338-K340 VanDerWaalsContact C-N 3.3Å; W338-K340 PolarHBondContact O-N 3.04Å; W338-T341 WeakPolarHBondContact CA-OG1 3.3Å; W338-T341 PolarHBondContact O-N 3.41Å; W338-T341 PolarHBondContact O-OG1 3.39Å; W338-F342 AromaticContact CE3-CE1 3.82Å; W338-F342 HydrophobicContact CE3-CE1 3.82Å; W338-F342 AromaticContact CE3-CZ 3.82Å; W338-F342 HydrophobicContact CE3-CZ 3.82Å; W338-F342 HydrophobicContact CZ3-CE1 4.31Å; W338-F342 HydrophobicContact CZ3-CZ 4.19Å; W338-F342 WeakPolarHBondContact O-CD1 3.48Å; W338-F342 WeakPolarHBondContact O-CG 3.32Å; W338-F342 PolarHBondContact O-N 3.01Å
339I98Very high93.9Very high0 Ų033.5 Ų33.50%016%0.159CC..Hα-helixtrans-61.7-41.9175.4-66.6167.8000110.1I258 L261 C265 A335 L336 T341 F342 V343 I357 V361 I387I258-I339 HydrophobicContact CD1-CG1 4.14Å; L261-I339 HydrophobicContact CB-CD1 4.24Å; L261-I339 HydrophobicContact CB-CG1 3.83Å; L261-I339 HydrophobicContact CD1-CG1 4.37Å; C265-I339 HydrophobicContact CB-CD1 3.92Å; A335-I339 VanDerWaalsContact O-CG1 3.27Å; A335-I339 WeakPolarHBondContact O-CG1 3.38Å; A335-I339 PolarHBondContact O-N 3.33Å; L336-I339 PolarHBondContact O-N 2.99Å; I339-T341 PolarHBondContact O-N 3.47Å; I339-F342 PolarHBondContact O-N 3.24Å; I339-V343 HydrophobicContact CG2-CG2 4.28Å; I339-V343 WeakPolarHBondContact O-CB 3.02Å; I339-V343 WeakPolarHBondContact O-CG2 3.16Å; I339-V343 PolarHBondContact O-N 3.11Å; I339-I357 HydrophobicContact CG2-CG2 3.8Å; I339-V361 HydrophobicContact CG2-CG2 4.35Å; I339-I387 HydrophobicContact CB-CD1 4.16Å; I339-I387 HydrophobicContact CG2-CD1 4Å; I339-I387 HydrophobicContact CG2-CG1 4.39Å; I339-I387 HydrophobicContact CG2-CG2 3.87Å
340K97.6Very high94.1Very high56 Ų5632.3 Ų32.324%0.24315%0.153CC..Hα-helixtrans-55.7-52175.3-176.9-174.7177.4-78.40111.3L336 K337 W338 F342 V343 E344 T383 C386 I387L336-K340 WeakPolarHBondContact O-CB 3.46Å; L336-K340 PolarHBondContact O-N 2.94Å; K337-K340 WeakPolarHBondContact O-CB 3.26Å; K337-K340 PolarHBondContact O-N 2.82Å; W338-K340 VanDerWaalsContact C-N 3.3Å; W338-K340 PolarHBondContact O-N 3.04Å; K340-F342 VanDerWaalsContact C-N 3.29Å; K340-F342 PolarHBondContact O-N 2.68Å; K340-V343 PolarHBondContact O-N 3.02Å; K340-E344 WeakPolarHBondContact CE-OE1 3.37Å; K340-E344 HydrophobicContact CG-CG 4.38Å; K340-E344 IonicContact NZ-OE1 3.64Å; K340-E344 PolarHBondContact NZ-OE1 3.44Å; K340-E344 IonicContact NZ-OE2 2.63Å; K340-E344 PolarHBondContact NZ-OE2 2.97Å; K340-E344 WeakPolarHBondContact O-CB 3.46Å; K340-E344 WeakPolarHBondContact O-CG 3.41Å; K340-E344 PolarHBondContact O-N 3.18Å; K340-T383 HydrophobicContact CB-CG2 4.25Å; K340-T383 HydrophobicContact CD-CG2 4.04Å; K340-C386 WeakPolarHBondContact CE-SG 3.34Å; K340-I387 HydrophobicContact CB-CD1 4.18Å; K340-I387 HydrophobicContact CB-CG1 3.71Å; K340-I387 HydrophobicContact CG-CG1 4.28Å
341T95.5Very high94.2Very high6 Ų631.5 Ų31.54%0.03715%0.149CC..Hα-helixtrans-60.3-40.1179.545.60000112L242 E246 K337 W338 I339 E344 I345L242-T341 HydrophobicContact CD1-CG2 4.25Å; L242-T341 VanDerWaalsContact CD1-OG1 3.31Å; L242-T341 WeakPolarHBondContact CD1-OG1 3.38Å; L242-T341 HydrophobicContact CD2-CG2 3.97Å; L242-T341 HydrophobicContact CG-CG2 4.15Å; E246-T341 HydrophobicContact CG-CG2 4.09Å; E246-T341 WeakPolarHBondContact OE1-CG2 3.2Å; K337-T341 PolarHBondContact O-N 3.34Å; K337-T341 VanDerWaalsContact O-N 3.08Å; K337-T341 PolarHBondContact O-OG1 3.25Å; W338-T341 WeakPolarHBondContact CA-OG1 3.3Å; W338-T341 PolarHBondContact O-N 3.41Å; W338-T341 PolarHBondContact O-OG1 3.39Å; I339-T341 PolarHBondContact O-N 3.47Å; T341-E344 PolarHBondContact O-N 3.42Å; T341-I345 WeakPolarHBondContact O-CB 3.43Å; T341-I345 WeakPolarHBondContact O-CD1 3.49Å; T341-I345 WeakPolarHBondContact O-CG1 3.47Å; T341-I345 PolarHBondContact O-N 3.41Å
342F95.5Very high94.1Very high0 Ų033.4 Ų33.40%016%0.163CC..Hα-helixtrans-67.5-42.2-179.3-74.421.9000111.5I245 L254 M257 I258 L261 W338 I339 K340 E344 I345 D346 M350I245-F342 HydrophobicContact CD1-CE1 4.44Å; I245-F342 HydrophobicContact CG2-CE1 4.3Å; L254-F342 HydrophobicContact CB-CD2 4.24Å; L254-F342 HydrophobicContact CB-CE2 4.34Å; L254-F342 HydrophobicContact CD2-CD1 3.92Å; L254-F342 HydrophobicContact CD2-CD2 4.07Å; L254-F342 HydrophobicContact CD2-CE1 3.8Å; L254-F342 HydrophobicContact CD2-CE2 3.94Å; L254-F342 HydrophobicContact CD2-CG 4.08Å; L254-F342 HydrophobicContact CD2-CZ 3.82Å; M257-F342 HydrophobicContact CB-CE2 3.88Å; M257-F342 HydrophobicContact CB-CZ 4.14Å; M257-F342 HydrophobicContact CE-CE2 4.14Å; M257-F342 HydrophobicContact CE-CZ 3.61Å; M257-F342 HydrophobicContact SD-CZ 4.44Å; I258-F342 HydrophobicContact CB-CD2 4.29Å; I258-F342 HydrophobicContact CD1-CD2 4.06Å; L261-F342 HydrophobicContact CD1-CD2 3.99Å; L261-F342 HydrophobicContact CD1-CE1 4.45Å; L261-F342 HydrophobicContact CD1-CE2 3.59Å; L261-F342 HydrophobicContact CD1-CZ 3.83Å; W338-F342 AromaticContact CE3-CE1 3.82Å; W338-F342 HydrophobicContact CE3-CE1 3.82Å; W338-F342 AromaticContact CE3-CZ 3.82Å; W338-F342 HydrophobicContact CE3-CZ 3.82Å; W338-F342 HydrophobicContact CZ3-CE1 4.31Å; W338-F342 HydrophobicContact CZ3-CZ 4.19Å; W338-F342 WeakPolarHBondContact O-CD1 3.48Å; W338-F342 WeakPolarHBondContact O-CG 3.32Å; W338-F342 PolarHBondContact O-N 3.01Å; I339-F342 PolarHBondContact O-N 3.24Å; K340-F342 VanDerWaalsContact C-N 3.29Å; K340-F342 PolarHBondContact O-N 2.68Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-I345 PolarHBondContact O-N 3.19Å; F342-D346 PolarHBondContact O-N 3.43Å; F342-M350 HydrophobicContact CB-CG 4.45Å; F342-M350 HydrophobicContact CB-SD 3.9Å; F342-M350 HydrophobicContact CD2-SD 4.47Å
343V95.1Very high94.2Very high1 Ų135.3 Ų35.31%0.00617%0.17CC..Hα-helixtrans-68-32.3176.4169.60000111.9I339 K340 P347 M350 I357 I387 T390 L391I339-V343 HydrophobicContact CG2-CG2 4.28Å; I339-V343 WeakPolarHBondContact O-CB 3.02Å; I339-V343 WeakPolarHBondContact O-CG2 3.16Å; I339-V343 PolarHBondContact O-N 3.11Å; K340-V343 PolarHBondContact O-N 3.02Å; V343-P347 WeakPolarHBondContact O-CA 3.37Å; V343-P347 VanDerWaalsContact O-CD 3.23Å; V343-P347 WeakPolarHBondContact O-CD 3.47Å; V343-P347 WeakPolarHBondContact O-CG 3.39Å; V343-M350 HydrophobicContact CG2-CB 4.19Å; V343-M350 HydrophobicContact CG2-CG 4.11Å; V343-I357 HydrophobicContact CG2-CD1 4.19Å; V343-I387 HydrophobicContact CG2-CG2 4.24Å; V343-T390 HydrophobicContact CG1-CG2 3.63Å; V343-L391 HydrophobicContact CG1-CD2 3.94Å; V343-L391 HydrophobicContact CG1-CG 3.76Å; V343-L391 HydrophobicContact CG2-CD1 4.38Å; V343-L391 HydrophobicContact CG2-CD2 3.97Å; V343-L391 HydrophobicContact CG2-CG 4.03Å
344E94.6Very high94.3Very high86 Ų8631.2 Ų31.240%0.40215%0.154SC..Hα-helixtrans-76.8-32.1176.7-76178.8155.900113.3K340 T341 F342K340-E344 WeakPolarHBondContact CE-OE1 3.37Å; K340-E344 HydrophobicContact CG-CG 4.38Å; K340-E344 IonicContact NZ-OE1 3.64Å; K340-E344 PolarHBondContact NZ-OE1 3.44Å; K340-E344 IonicContact NZ-OE2 2.63Å; K340-E344 PolarHBondContact NZ-OE2 2.97Å; K340-E344 WeakPolarHBondContact O-CB 3.46Å; K340-E344 WeakPolarHBondContact O-CG 3.41Å; K340-E344 PolarHBondContact O-N 3.18Å; T341-E344 PolarHBondContact O-N 3.42Å; F342-E344 VanDerWaalsContact C-N 3.34Å
345I92.4Very high94.3Very high58 Ų5831.6 Ų31.630%0.29716%0.157SC..Hα-helixtrans-64.4-54.2176.2-74.1163.5000110.2I245 P249 L254 T341 F342I245-I345 HydrophobicContact CG2-CD1 4.11Å; P249-I345 HydrophobicContact CB-CD1 4.26Å; P249-I345 HydrophobicContact CB-CG1 4.4Å; P249-I345 HydrophobicContact CB-CG2 3.58Å; L254-I345 HydrophobicContact CD1-CG2 4.26Å; T341-I345 WeakPolarHBondContact O-CB 3.43Å; T341-I345 WeakPolarHBondContact O-CD1 3.49Å; T341-I345 WeakPolarHBondContact O-CG1 3.47Å; T341-I345 PolarHBondContact O-N 3.41Å; F342-I345 PolarHBondContact O-N 3.19Å
346D90.3Very high94.2Very high62 Ų6231.9 Ų31.933%0.33216%0.159SC..  trans-148.993.6178.5-170.6-18.6000110.8F342 H348 H349 M350F342-D346 PolarHBondContact O-N 3.43Å; D346-H348 PolarHBondContact O-N 3.47Å; D346-H348 WeakPolarHBondContact OD1-CA 3.45Å; D346-H348 WeakPolarHBondContact OD1-CB 3.48Å; D346-H348 PolarHBondContact OD1-N 2.99Å; D346-H349 HydrophobicContact CB-CB 3.82Å; D346-H349 VanDerWaalsContact CG-CB 3.4Å; D346-H349 PolarHBondContact O-N 2.94Å; D346-H349 PolarHBondContact OD1-N 3.44Å; D346-H349 WeakPolarHBondContact OD2-CB 3.3Å; D346-M350 WeakPolarHBondContact O-CG 3.22Å; D346-M350 PolarHBondContact O-N 3.23Å
347P91.3Very high94.2Very high31 Ų3131.9 Ų31.920%0.20116%0.159CC..Hα-helixtrans-58-34176.6-20.126.5000113.1V343 M350 L351 T390V343-P347 WeakPolarHBondContact O-CA 3.37Å; V343-P347 VanDerWaalsContact O-CD 3.23Å; V343-P347 WeakPolarHBondContact O-CD 3.47Å; V343-P347 WeakPolarHBondContact O-CG 3.39Å; P347-M350 PolarHBondContact O-N 3.44Å; P347-L351 WeakPolarHBondContact O-CG 3.46Å; P347-L351 PolarHBondContact O-N 2.96Å; P347-T390 HydrophobicContact CG-CG2 4.18Å
348H89Confident94.2Very high66 Ų6628.1 Ų28.131%0.30614%0.143SC..Hα-helixtrans-72.2-43-177-67.6-65.1000111.2D346 M350 L351 G394 F398D346-H348 PolarHBondContact O-N 3.47Å; D346-H348 WeakPolarHBondContact OD1-CA 3.45Å; D346-H348 WeakPolarHBondContact OD1-CB 3.48Å; D346-H348 PolarHBondContact OD1-N 2.99Å; H348-M350 PolarHBondContact O-N 2.9Å; H348-L351 WeakPolarHBondContact O-CB 3.29Å; H348-L351 PolarHBondContact O-N 3.25Å; H348-G394 PolarHBondContact CE1-O 3.38Å; H348-F398 AromaticContact ND1-CD2 3.79Å
349H89.5Confident94.1Very high84 Ų8428.4 Ų28.439%0.38915%0.147SC..Hα-helixtrans-63.4-26.2174.8-170.960.2000112.6D346 P352D346-H349 HydrophobicContact CB-CB 3.82Å; D346-H349 VanDerWaalsContact CG-CB 3.4Å; D346-H349 PolarHBondContact O-N 2.94Å; D346-H349 PolarHBondContact OD1-N 3.44Å; D346-H349 WeakPolarHBondContact OD2-CB 3.3Å; H349-P352 WeakPolarHBondContact O-CD 3.09Å
350M93.7Very high93.9Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-83.5-12.4176.9-66.9-60.6105.300114.7L254 I258 F342 V343 D346 P347 H348 Y353 A354 I357 L391L254-M350 HydrophobicContact CB-CE 3.93Å; L254-M350 HydrophobicContact CD1-CE 4.31Å; I258-M350 HydrophobicContact CD1-SD 4.3Å; I258-M350 HydrophobicContact CG1-SD 4.17Å; F342-M350 HydrophobicContact CB-CG 4.45Å; F342-M350 HydrophobicContact CB-SD 3.9Å; F342-M350 HydrophobicContact CD2-SD 4.47Å; V343-M350 HydrophobicContact CG2-CB 4.19Å; V343-M350 HydrophobicContact CG2-CG 4.11Å; D346-M350 WeakPolarHBondContact O-CG 3.22Å; D346-M350 PolarHBondContact O-N 3.23Å; P347-M350 PolarHBondContact O-N 3.44Å; H348-M350 PolarHBondContact O-N 2.9Å; M350-Y353 PolarHBondContact O-N 3Å; M350-A354 PolarHBondContact O-N 3.43Å; M350-I357 HydrophobicContact CB-CD1 4.3Å; M350-L391 HydrophobicContact CB-CD2 4.37Å
351L92.1Very high93.9Very high1 Ų125.9 Ų25.91%0.00514%0.137CC..G310 helixtrans-60-38.1-177.2-68.1-177.4000115.2P347 H348 Y353 A354 L391 V395 F398 I467 L468P347-L351 WeakPolarHBondContact O-CG 3.46Å; P347-L351 PolarHBondContact O-N 2.96Å; H348-L351 WeakPolarHBondContact O-CB 3.29Å; H348-L351 PolarHBondContact O-N 3.25Å; L351-Y353 PolarHBondContact O-N 3.08Å; L351-Y353 VanDerWaalsContact O-N 3.1Å; L351-A354 WeakPolarHBondContact O-CB 3.28Å; L351-A354 PolarHBondContact O-N 3.36Å; L351-L391 HydrophobicContact CD2-CD2 4.45Å; L351-V395 HydrophobicContact CD2-CG2 3.59Å; L351-F398 HydrophobicContact CD1-CB 4.1Å; L351-F398 HydrophobicContact CD1-CD2 4.31Å; L351-F398 HydrophobicContact CD1-CG 4.14Å; L351-I467 CarbonylContact C-O 3.54Å; L351-I467 HydrophobicContact CB-CG2 3.95Å; L351-I467 HydrophobicContact CD1-CG2 4.28Å; L351-L468 HydrophobicContact CD2-CD1 4.44Å
352P92.1Very high93.9Very high56 Ų5625.6 Ų25.636%0.36414%0.135SC..G310 helixtrans-59.4-23.2175.1-25.736.2000113.4H349 I467H349-P352 WeakPolarHBondContact O-CD 3.09Å; P352-I467 WeakPolarHBondContact CA-O 3.28Å; P352-I467 HydrophobicContact CG-CG2 4.36Å
353Y94.9Very high93.8Very high53 Ų5327 Ų2721%0.20814%0.143CC..G310 helixtrans-960.5177.9-53.6-81.7000113.1D255 I258 M350 L351 S355 G356 I357D255-Y353 HydrophobicContact CB-CE2 4.43Å; D255-Y353 WeakPolarHBondContact CB-OH 3.3Å; I258-Y353 HydrophobicContact CG1-CG 4.36Å; I258-Y353 HydrophobicContact CG2-CD1 3.5Å; I258-Y353 VanDerWaalsContact CG2-CD1 3.5Å; I258-Y353 HydrophobicContact CG2-CD2 3.96Å; I258-Y353 HydrophobicContact CG2-CE1 3.63Å; I258-Y353 HydrophobicContact CG2-CE2 4.09Å; I258-Y353 HydrophobicContact CG2-CG 3.68Å; M350-Y353 PolarHBondContact O-N 3Å; L351-Y353 PolarHBondContact O-N 3.08Å; L351-Y353 VanDerWaalsContact O-N 3.1Å; Y353-S355 VanDerWaalsContact C-N 3.31Å; Y353-S355 PolarHBondContact O-N 3Å; Y353-G356 PolarHBondContact O-N 3.3Å; Y353-I357 WeakPolarHBondContact O-CG1 3.38Å; Y353-I357 PolarHBondContact O-N 3.38Å
354A95.4Very high93.6Very high0 Ų027.1 Ų27.10%014%0.144CC..Hα-helixtrans-56.1-41-171.100000112.9M350 L351 G356 I357 I358 I473M350-A354 PolarHBondContact O-N 3.43Å; L351-A354 WeakPolarHBondContact O-CB 3.28Å; L351-A354 PolarHBondContact O-N 3.36Å; A354-G356 VanDerWaalsContact C-N 3.33Å; A354-G356 PolarHBondContact O-N 2.72Å; A354-I357 PolarHBondContact O-N 2.72Å; A354-I358 HydrophobicContact CB-CD1 4.41Å; A354-I358 VanDerWaalsContact O-CB 3.28Å; A354-I358 WeakPolarHBondContact O-CB 3.26Å; A354-I358 VanDerWaalsContact O-CD1 3.29Å; A354-I358 WeakPolarHBondContact O-CD1 3.34Å; A354-I358 WeakPolarHBondContact O-CG1 3.47Å; A354-I358 PolarHBondContact O-N 3.36Å; A354-I473 HydrophobicContact CB-CD1 3.9Å; A354-I473 HydrophobicContact CB-CG1 4.28Å
355S95.1Very high93.4Very high19 Ų1923.7 Ų23.713%0.13313%0.128CC..Hα-helixtrans-58.6-44.5177.359.90000112.1Y353 G359Y353-S355 VanDerWaalsContact C-N 3.31Å; Y353-S355 PolarHBondContact O-N 3Å; S355-G359 PolarHBondContact O-N 2.97Å
356G95.3Very high92.7Very high5 Ų523 Ų235%0.05212%0.124CC..Hα-helixtrans-67.1-4317600000112.6I262 Y353 A354 G359 A360I262-G356 WeakPolarHBondContact CG2-O 3.45Å; Y353-G356 PolarHBondContact O-N 3.3Å; A354-G356 VanDerWaalsContact C-N 3.33Å; A354-G356 PolarHBondContact O-N 2.72Å; G356-G359 PolarHBondContact O-N 3.4Å; G356-A360 WeakPolarHBondContact O-CB 3.27Å; G356-A360 PolarHBondContact O-N 2.95Å; G356-A360 VanDerWaalsContact O-N 3.08Å
357I97.5Very high91.7Very high1 Ų124 Ų241%0.00513%0.129CC..Hα-helixtrans-63.5-46.3177.3-60.9168.3000110.4I258 I262 I339 V343 M350 Y353 A354 G359 A360 V361 I387 L391I258-I357 HydrophobicContact CD1-CD1 4.31Å; I258-I357 HydrophobicContact CD1-CG1 4.34Å; I258-I357 HydrophobicContact CG1-CD1 4.42Å; I258-I357 HydrophobicContact CG1-CG1 4.47Å; I262-I357 HydrophobicContact CD1-CG1 3.91Å; I262-I357 HydrophobicContact CG1-CG1 4.17Å; I339-I357 HydrophobicContact CG2-CG2 3.8Å; V343-I357 HydrophobicContact CG2-CD1 4.19Å; M350-I357 HydrophobicContact CB-CD1 4.3Å; Y353-I357 WeakPolarHBondContact O-CG1 3.38Å; Y353-I357 PolarHBondContact O-N 3.38Å; A354-I357 PolarHBondContact O-N 2.72Å; I357-G359 PolarHBondContact O-N 3.45Å; I357-A360 CarbonylContact O-C 3.55Å; I357-A360 WeakPolarHBondContact O-CB 3.49Å; I357-A360 PolarHBondContact O-N 2.95Å; I357-V361 HydrophobicContact CG2-CB 4.46Å; I357-V361 HydrophobicContact CG2-CG2 3.67Å; I357-V361 VanDerWaalsContact O-CB 3.27Å; I357-V361 WeakPolarHBondContact O-CB 3.3Å; I357-V361 VanDerWaalsContact O-CG2 3.26Å; I357-V361 WeakPolarHBondContact O-CG2 3.18Å; I357-V361 PolarHBondContact O-N 3.47Å; I357-I387 HydrophobicContact CG2-CG2 3.98Å; I357-L391 HydrophobicContact CB-CD1 4.02Å; I357-L391 HydrophobicContact CD1-CD1 4.23Å; I357-L391 HydrophobicContact CG2-CD1 3.54Å
358I96.1Very high90Very high2 Ų226 Ų261%0.0114%0.143CC..Hα-helixtrans-60.1-46.8177.8-69.6163.4000110.5A354 A360 V361 L362 I473 T477 L480 W495A354-I358 HydrophobicContact CB-CD1 4.41Å; A354-I358 VanDerWaalsContact O-CB 3.28Å; A354-I358 WeakPolarHBondContact O-CB 3.26Å; A354-I358 VanDerWaalsContact O-CD1 3.29Å; A354-I358 WeakPolarHBondContact O-CD1 3.34Å; A354-I358 WeakPolarHBondContact O-CG1 3.47Å; A354-I358 PolarHBondContact O-N 3.36Å; I358-A360 PolarHBondContact O-N 3.46Å; I358-V361 PolarHBondContact O-N 3.26Å; I358-L362 HydrophobicContact CG2-CD1 3.6Å; I358-L362 HydrophobicContact CG2-CG 3.93Å; I358-L362 WeakPolarHBondContact O-CB 3.19Å; I358-L362 PolarHBondContact O-N 2.8Å; I358-I473 HydrophobicContact CD1-CG1 4.36Å; I358-I473 HydrophobicContact CD1-CG2 3.56Å; I358-T477 HydrophobicContact CG2-CG2 4.2Å; I358-L480 HydrophobicContact CG2-CD1 3.9Å; I358-W495 HydrophobicContact CD1-CD2 3.57Å; I358-W495 VanDerWaalsContact CD1-CE2 3.47Å; I358-W495 HydrophobicContact CD1-CE3 3.68Å; I358-W495 HydrophobicContact CD1-CG 4.31Å; I358-W495 HydrophobicContact CD1-CH2 3.64Å; I358-W495 HydrophobicContact CD1-CZ2 3.53Å; I358-W495 HydrophobicContact CD1-CZ3 3.69Å; I358-W495 HydrophobicContact CG1-CD2 4.23Å; I358-W495 HydrophobicContact CG1-CH2 4.18Å; I358-W495 HydrophobicContact CG1-CZ2 3.64Å
359G94.4Very high88.5Confident10 Ų1024.8 Ų24.810%0.10315%0.149CC..Hα-helixtrans-62.5-1917600000114.2S355 G356 I357 P363S355-G359 PolarHBondContact O-N 2.97Å; G356-G359 PolarHBondContact O-N 3.4Å; I357-G359 PolarHBondContact O-N 3.45Å; G359-P363 WeakPolarHBondContact O-CG 3.43Å
360A95.3Very high87Confident0 Ų023.3 Ų23.30%015%0.147CC..Hα-helixtrans-94.2-43175.300000114I262 C265 R266 G356 I357 I358 C364I262-A360 HydrophobicContact CG2-CB 4.21Å; C265-A360 HydrophobicContact CB-CB 4.09Å; R266-A360 VanDerWaalsContact CG-CA 3.4Å; R266-A360 HydrophobicContact CG-CB 3.49Å; R266-A360 VanDerWaalsContact CG-CB 3.49Å; G356-A360 WeakPolarHBondContact O-CB 3.27Å; G356-A360 PolarHBondContact O-N 2.95Å; G356-A360 VanDerWaalsContact O-N 3.08Å; I357-A360 CarbonylContact O-C 3.55Å; I357-A360 WeakPolarHBondContact O-CB 3.49Å; I357-A360 PolarHBondContact O-N 2.95Å; I358-A360 PolarHBondContact O-N 3.46Å; A360-C364 PolarHBondContact O-SG 3.18Å; A360-C364 VanDerWaalsContact O-SG 3.37Å
361V97.2Very high85.2Confident3 Ų328 Ų282%0.01818%0.179CC..Hα-helixtrans-87.4-42.6-167.7171.90000111.6L336 I339 I357 I358 C364 F365 A384 I387L336-V361 HydrophobicContact CD2-CG2 4.11Å; I339-V361 HydrophobicContact CG2-CG2 4.35Å; I357-V361 HydrophobicContact CG2-CB 4.46Å; I357-V361 HydrophobicContact CG2-CG2 3.67Å; I357-V361 VanDerWaalsContact O-CB 3.27Å; I357-V361 WeakPolarHBondContact O-CB 3.3Å; I357-V361 VanDerWaalsContact O-CG2 3.26Å; I357-V361 WeakPolarHBondContact O-CG2 3.18Å; I357-V361 PolarHBondContact O-N 3.47Å; I358-V361 PolarHBondContact O-N 3.26Å; V361-C364 WeakPolarHBondContact O-CA 3.46Å; V361-C364 WeakPolarHBondContact O-CB 3.42Å; V361-C364 PolarHBondContact O-N 3.4Å; V361-F365 HydrophobicContact CG1-CE2 4.24Å; V361-A384 HydrophobicContact CG1-CB 3.76Å; V361-A384 VanDerWaalsContact CG1-O 3.3Å; V361-A384 WeakPolarHBondContact CG1-O 3.47Å; V361-I387 HydrophobicContact CG1-CB 4.14Å; V361-I387 HydrophobicContact CG1-CD1 4.38Å; V361-I387 HydrophobicContact CG1-CG2 4.2Å; V361-I387 HydrophobicContact CG2-CD1 4.1Å; V361-I387 HydrophobicContact CG2-CG2 4.03Å
362L95.9Very high83.6Confident0 Ų034.8 Ų34.80%022%0.216CC..G310 helixtrans-65.1-34.9-177.3-69.6-164.5000114.5I358 C364 F365 N388 L480 T488 A491 A492I358-L362 HydrophobicContact CG2-CD1 3.6Å; I358-L362 HydrophobicContact CG2-CG 3.93Å; I358-L362 WeakPolarHBondContact O-CB 3.19Å; I358-L362 PolarHBondContact O-N 2.8Å; L362-C364 PolarHBondContact O-N 3.46Å; L362-C364 VanDerWaalsContact O-N 3.14Å; L362-F365 HydrophobicContact CD2-CD1 4.44Å; L362-F365 HydrophobicContact CD2-CD2 4.17Å; L362-F365 HydrophobicContact CD2-CE1 4.05Å; L362-F365 HydrophobicContact CD2-CE2 3.74Å; L362-F365 HydrophobicContact CD2-CG 4.5Å; L362-F365 HydrophobicContact CD2-CZ 3.67Å; L362-F365 VanDerWaalsContact O-CB 3.28Å; L362-F365 WeakPolarHBondContact O-CB 3.43Å; L362-F365 PolarHBondContact O-N 3.37Å; L362-N388 HydrophobicContact CD2-CB 4.41Å; L362-N388 WeakPolarHBondContact CD2-OD1 3.28Å; L362-L480 HydrophobicContact CB-CD1 3.79Å; L362-L480 HydrophobicContact CD1-CD1 3.79Å; L362-L480 HydrophobicContact CG-CD1 4.27Å; L362-T488 HydrophobicContact CB-CG2 4.27Å; L362-T488 WeakPolarHBondContact O-CG2 3.3Å; L362-T488 PolarHBondContact O-OG1 3.05Å; L362-A491 HydrophobicContact CD1-CB 4.13Å; L362-A491 HydrophobicContact CD2-CB 3.56Å; L362-A491 HydrophobicContact CG-CB 4.46Å; L362-A492 HydrophobicContact CD1-CB 4.27Å
363P92.3Very high82.3Confident28 Ų2832.9 Ų32.918%0.18221%0.205CC..G310 helixtrans-58.6-20.7169.5-27.436.7000114.1G359 F365 M366 L480G359-P363 WeakPolarHBondContact O-CG 3.43Å; P363-F365 PolarHBondContact O-N 2.93Å; P363-M366 VanDerWaalsContact O-SD 3.38Å; P363-L480 HydrophobicContact CG-CD2 3.86Å
364C90.7Very high81.2Confident4 Ų433.8 Ų33.83%0.02721%0.213CC..G310 helixtrans-76.4-3.4174.6-52.50000112.8Q332 L336 A360 V361 L362 M366 A384Q332-C364 PolarHBondContact NE2-SG 3.4Å; L336-C364 HydrophobicContact CD1-CB 4.43Å; A360-C364 PolarHBondContact O-SG 3.18Å; A360-C364 VanDerWaalsContact O-SG 3.37Å; V361-C364 WeakPolarHBondContact O-CA 3.46Å; V361-C364 WeakPolarHBondContact O-CB 3.42Å; V361-C364 PolarHBondContact O-N 3.4Å; L362-C364 PolarHBondContact O-N 3.46Å; L362-C364 VanDerWaalsContact O-N 3.14Å; C364-M366 PolarHBondContact O-N 2.78Å; C364-A384 HydrophobicContact CB-CB 3.93Å
365F90.3Very high80.4Confident14 Ų1439.2 Ų39.26%0.06124%0.238CC..  trans-78.556.5177.8-75.8-143.3000111.2V361 L362 P363 L381 A384 V385 N388 S485 F487 T488 A491V361-F365 HydrophobicContact CG1-CE2 4.24Å; L362-F365 HydrophobicContact CD2-CD1 4.44Å; L362-F365 HydrophobicContact CD2-CD2 4.17Å; L362-F365 HydrophobicContact CD2-CE1 4.05Å; L362-F365 HydrophobicContact CD2-CE2 3.74Å; L362-F365 HydrophobicContact CD2-CG 4.5Å; L362-F365 HydrophobicContact CD2-CZ 3.67Å; L362-F365 VanDerWaalsContact O-CB 3.28Å; L362-F365 WeakPolarHBondContact O-CB 3.43Å; L362-F365 PolarHBondContact O-N 3.37Å; P363-F365 PolarHBondContact O-N 2.93Å; F365-L381 HydrophobicContact CB-CD1 4.15Å; F365-L381 HydrophobicContact CD2-CD1 4.46Å; F365-L381 HydrophobicContact CG-CD1 4.21Å; F365-A384 HydrophobicContact CD2-CB 3.95Å; F365-A384 HydrophobicContact CE2-CB 3.72Å; F365-V385 HydrophobicContact CD1-CG2 4.31Å; F365-V385 HydrophobicContact CE1-CG2 3.8Å; F365-V385 HydrophobicContact CE2-CG2 4.14Å; F365-V385 HydrophobicContact CZ-CB 4.26Å; F365-V385 HydrophobicContact CZ-CG2 3.71Å; F365-N388 HydrophobicContact CE2-CB 4.27Å; F365-N388 HydrophobicContact CZ-CB 3.65Å; F365-S485 PolarHBondContact O-OG 2.87Å; F365-F487 HydrophobicContact CB-CB 4.01Å; F365-F487 HydrophobicContact CD1-CB 4.41Å; F365-T488 PolarHBondContact O-OG1 3.31Å; F365-A491 HydrophobicContact CD1-CB 3.68Å; F365-A491 HydrophobicContact CE1-CB 3.51Å; F365-A491 HydrophobicContact CZ-CB 4.33Å
366M79.3Confident79.4Confident43 Ų4343.6 Ų43.621%0.21226%0.257CS..  trans-131.8129.2-17655-169.8-67.500110.8A273 P363 C364A273-M366 HydrophobicContact CB-CE 3.94Å; A273-M366 HydrophobicContact CB-SD 4.21Å; P363-M366 VanDerWaalsContact O-SD 3.38Å; C364-M366 PolarHBondContact O-N 2.78Å
367L67.7Low78.6Confident83 Ų8344.5 Ų44.544%0.43526%0.259SS..  trans-120.883176.5-161.281.1000108.4L374 L381L367-L374 HydrophobicContact CD1-CD1 4.14Å; L367-L374 HydrophobicContact CG-CD1 4.12Å; L367-L381 HydrophobicContact CB-CD2 4.46Å; L367-L381 HydrophobicContact CD1-CD2 4.02Å
368C57.1Low78Confident73 Ų7348.9 Ų48.949%0.49328%0.278SS..  trans-134.4159.9171.1-76.90000107.7R377C368-R377 WeakPolarHBondContact O-CD 3.47Å; C368-R377 PolarHBondContact O-NH1 2.87Å
369G57.7Low77.6Confident42 Ų4251.2 Ų51.243%0.43329%0.292SS..SBendtrans130.3169.4169.800000115.7R377G369-R377 VanDerWaalsContact CA-NH1 3.3Å
370P57.1Low77.3Confident53 Ų5351 Ų5134%0.34429%0.289SS..  trans-65.1157173.828.2-33.7000112D372 A373 L374P370-D372 PolarHBondContact O-N 3.24Å; P370-A373 HydrophobicContact CG-CB 4.21Å; P370-A373 PolarHBondContact O-N 3.48Å; P370-A373 VanDerWaalsContact O-N 3.15Å; P370-L374 PolarHBondContact O-N 2.85Å; P370-L374 VanDerWaalsContact O-N 3.13Å
371S55.7Low77.1Confident97 Ų9752.4 Ų52.468%0.67830%0.297SS*.Hα-helixtrans-53.6-42.8-170.4-170.10000114.6A373 L374S371-A373 PolarHBondContact O-N 3.26Å; S371-L374 WeakPolarHBondContact O-CB 3.38Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.14Å
372D59.5Low76.9Confident144 Ų14457.2 Ų57.277%0.7732%0.319SS*.Hα-helixtrans-68.4-36.2-176.7-60.2-26.7000112P370 L374P370-D372 PolarHBondContact O-N 3.24Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 3.09Å
373A63.9Low76.9Confident17 Ų1758.5 Ų58.514%0.1433%0.327CS..Hα-helixtrans-77.5-13.4175.400000112.8P370 S371 R377P370-A373 HydrophobicContact CG-CB 4.21Å; P370-A373 PolarHBondContact O-N 3.48Å; P370-A373 VanDerWaalsContact O-N 3.15Å; S371-A373 PolarHBondContact O-N 3.26Å; A373-R377 WeakPolarHBondContact O-CB 3.49Å; A373-R377 WeakPolarHBondContact O-CG 3.43Å; A373-R377 PolarHBondContact O-N 3.09Å
374L72.3Confident77Confident72 Ų7257.1 Ų57.138%0.37732%0.318SS..Hα-helixtrans-66.6-40.9-177.1-169.571.6000111.6L367 P370 S371 D372 R377 K378L367-L374 HydrophobicContact CD1-CD1 4.14Å; L367-L374 HydrophobicContact CG-CD1 4.12Å; P370-L374 PolarHBondContact O-N 2.85Å; P370-L374 VanDerWaalsContact O-N 3.13Å; S371-L374 WeakPolarHBondContact O-CB 3.38Å; S371-L374 PolarHBondContact O-N 3.4Å; S371-L374 VanDerWaalsContact O-N 3.14Å; D372-L374 VanDerWaalsContact C-N 3.27Å; D372-L374 PolarHBondContact O-N 3.09Å; L374-R377 PolarHBondContact O-N 3.42Å; L374-K378 VanDerWaalsContact O-CB 3.28Å; L374-K378 WeakPolarHBondContact O-CB 3.32Å; L374-K378 PolarHBondContact O-N 2.93Å
375Q77.5Confident77.3Confident114 Ų11459.5 Ų59.553%0.53333%0.332SS..Hα-helixtrans-66.1-44.3-179.7-177.657.830.800111.3K378 V379Q375-K378 WeakPolarHBondContact O-CB 3.46Å; Q375-K378 PolarHBondContact O-N 3.27Å; Q375-V379 WeakPolarHBondContact O-CG2 3.49Å; Q375-V379 PolarHBondContact O-N 2.94Å; Q375-V379 VanDerWaalsContact O-N 3.07Å
376E74.5Confident77.7Confident110 Ų11060.7 Ų60.751%0.51434%0.342SS..Hα-helixtrans-64.8-41.2177.4-64.2-173.3174.400111.7K378 V379 A380E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.43Å; E376-V379 PolarHBondContact O-N 3.38Å; E376-A380 PolarHBondContact O-N 3.19Å
377R78.5Confident78.6Confident25 Ų2558.7 Ų58.79%0.09433%0.332CS..Hα-helixtrans-65.6-36.4175.1-73.4174.5-176-167.9-5.5112.5D276 C368 G369 A373 L374 A380 L381D276-R377 IonicContact OD1-CZ 3.76Å; D276-R377 IonicContact OD1-NH1 2.94Å; D276-R377 PolarHBondContact OD1-NH1 3Å; D276-R377 IonicContact OD1-NH2 3.6Å; D276-R377 PolarHBondContact OD1-NH2 3.08Å; D276-R377 IonicContact OD2-CZ 3.69Å; D276-R377 IonicContact OD2-NH1 3.38Å; D276-R377 PolarHBondContact OD2-NH1 3.48Å; D276-R377 IonicContact OD2-NH2 3.92Å; D276-R377 PolarHBondContact OD2-NH2 3.18Å; C368-R377 WeakPolarHBondContact O-CD 3.47Å; C368-R377 PolarHBondContact O-NH1 2.87Å; G369-R377 VanDerWaalsContact CA-NH1 3.3Å; A373-R377 WeakPolarHBondContact O-CB 3.49Å; A373-R377 WeakPolarHBondContact O-CG 3.43Å; A373-R377 PolarHBondContact O-N 3.09Å; L374-R377 PolarHBondContact O-N 3.42Å; R377-A380 PolarHBondContact O-N 3.49Å; R377-L381 WeakPolarHBondContact O-CB 3.26Å; R377-L381 PolarHBondContact O-N 3.11Å
378K85Confident79.9Confident93 Ų9355 Ų5540%0.40431%0.313SS..Hα-helixtrans-61.6-44.5173.9179.5176.4172.91790111.2L374 Q375 E376 A380 L381 E382L374-K378 VanDerWaalsContact O-CB 3.28Å; L374-K378 WeakPolarHBondContact O-CB 3.32Å; L374-K378 PolarHBondContact O-N 2.93Å; Q375-K378 WeakPolarHBondContact O-CB 3.46Å; Q375-K378 PolarHBondContact O-N 3.27Å; E376-K378 VanDerWaalsContact C-N 3.34Å; E376-K378 PolarHBondContact O-N 3.43Å; K378-A380 VanDerWaalsContact C-N 3.34Å; K378-A380 PolarHBondContact O-N 3.17Å; K378-L381 PolarHBondContact O-N 2.9Å; K378-E382 WeakPolarHBondContact CE-OE1 3.45Å; K378-E382 HydrophobicContact CG-CG 4.42Å; K378-E382 IonicContact NZ-OE1 3.41Å; K378-E382 WeakPolarHBondContact O-CB 3.44Å; K378-E382 VanDerWaalsContact O-CG 3.32Å; K378-E382 WeakPolarHBondContact O-CG 3.32Å; K378-E382 PolarHBondContact O-N 3.09Å
379V87.2Confident81.8Confident50 Ų5053.6 Ų53.630%0.30330%0.299SS..Hα-helixtrans-62.1-42.7175.9174.20000111.1Q375 E376 E382 T383Q375-V379 WeakPolarHBondContact O-CG2 3.49Å; Q375-V379 PolarHBondContact O-N 2.94Å; Q375-V379 VanDerWaalsContact O-N 3.07Å; E376-V379 PolarHBondContact O-N 3.38Å; V379-E382 PolarHBondContact O-N 3.28Å; V379-T383 WeakPolarHBondContact O-CB 3.42Å; V379-T383 PolarHBondContact O-N 2.78Å; V379-T383 PolarHBondContact O-OG1 2.9Å
380A89.1Confident83.7Confident7 Ų753 Ų536%0.05829%0.286CS..Hα-helixtrans-62.3-44.7175.600000111.9L336 E376 R377 K378 T383 A384L336-A380 HydrophobicContact CD1-CB 3.94Å; E376-A380 PolarHBondContact O-N 3.19Å; R377-A380 PolarHBondContact O-N 3.49Å; K378-A380 VanDerWaalsContact C-N 3.34Å; K378-A380 PolarHBondContact O-N 3.17Å; A380-T383 PolarHBondContact O-N 3.24Å; A380-A384 VanDerWaalsContact O-CB 3.29Å; A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.34Å
381L91.3Very high85.5Confident29 Ų2950.5 Ų50.515%0.15227%0.271CS..Hα-helixtrans-60.3-49.7175.8174.765.4000111.7F365 L367 R377 K378 T383 A384 V385F365-L381 HydrophobicContact CB-CD1 4.15Å; F365-L381 HydrophobicContact CD2-CD1 4.46Å; F365-L381 HydrophobicContact CG-CD1 4.21Å; L367-L381 HydrophobicContact CB-CD2 4.46Å; L367-L381 HydrophobicContact CD1-CD2 4.02Å; R377-L381 WeakPolarHBondContact O-CB 3.26Å; R377-L381 PolarHBondContact O-N 3.11Å; K378-L381 PolarHBondContact O-N 2.9Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 2.75Å; L381-A384 PolarHBondContact O-N 2.95Å; L381-V385 HydrophobicContact CD1-CG2 4.07Å; L381-V385 HydrophobicContact CG-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CB 3.33Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 2.9Å
382E92.6Very high87.4Confident103 Ų10346 Ų4648%0.48124%0.239SC..Hα-helixtrans-59.8-41.3178.5-74.4171.9177.200111.5K378 V379 C386K378-E382 WeakPolarHBondContact CE-OE1 3.45Å; K378-E382 HydrophobicContact CG-CG 4.42Å; K378-E382 IonicContact NZ-OE1 3.41Å; K378-E382 WeakPolarHBondContact O-CB 3.44Å; K378-E382 VanDerWaalsContact O-CG 3.32Å; K378-E382 WeakPolarHBondContact O-CG 3.32Å; K378-E382 PolarHBondContact O-N 3.09Å; V379-E382 PolarHBondContact O-N 3.28Å; E382-C386 WeakPolarHBondContact O-CB 3.46Å; E382-C386 PolarHBondContact O-N 3.27Å
383T94.7Very high89Confident27 Ų2744.9 Ų44.917%0.16623%0.227CC..Hα-helixtrans-64.9-45.3175.7-53.60000110.8L336 K340 V379 A380 L381 C386 I387L336-T383 HydrophobicContact CB-CG2 3.85Å; K340-T383 HydrophobicContact CB-CG2 4.25Å; K340-T383 HydrophobicContact CD-CG2 4.04Å; V379-T383 WeakPolarHBondContact O-CB 3.42Å; V379-T383 PolarHBondContact O-N 2.78Å; V379-T383 PolarHBondContact O-OG1 2.9Å; A380-T383 PolarHBondContact O-N 3.24Å; L381-T383 VanDerWaalsContact C-N 3.29Å; L381-T383 PolarHBondContact O-N 2.75Å; T383-C386 WeakPolarHBondContact O-CB 3.46Å; T383-C386 PolarHBondContact O-N 3.31Å; T383-I387 HydrophobicContact CG2-CD1 4.34Å; T383-I387 VanDerWaalsContact O-CG1 3.3Å; T383-I387 WeakPolarHBondContact O-CG1 3.46Å; T383-I387 PolarHBondContact O-N 2.97Å
384A96.3Very high90.3Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-63.8-42.7178.400000112.3L336 V361 C364 F365 A380 L381 C386 I387 N388L336-A384 HydrophobicContact CD2-CB 4.17Å; V361-A384 HydrophobicContact CG1-CB 3.76Å; V361-A384 VanDerWaalsContact CG1-O 3.3Å; V361-A384 WeakPolarHBondContact CG1-O 3.47Å; C364-A384 HydrophobicContact CB-CB 3.93Å; F365-A384 HydrophobicContact CD2-CB 3.95Å; F365-A384 HydrophobicContact CE2-CB 3.72Å; A380-A384 VanDerWaalsContact O-CB 3.29Å; A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.34Å; L381-A384 PolarHBondContact O-N 2.95Å; A384-C386 VanDerWaalsContact C-N 3.33Å; A384-I387 PolarHBondContact O-N 3.36Å; A384-N388 WeakPolarHBondContact O-CB 3.3Å; A384-N388 PolarHBondContact O-N 3.24Å
385V96.5Very high91.2Very high53 Ų5340.8 Ų40.832%0.32120%0.204SC..Hα-helixtrans-61.1-44.9173.4171.20000110.1F365 L381 I387 N388 E389F365-V385 HydrophobicContact CD1-CG2 4.31Å; F365-V385 HydrophobicContact CE1-CG2 3.8Å; F365-V385 HydrophobicContact CE2-CG2 4.14Å; F365-V385 HydrophobicContact CZ-CB 4.26Å; F365-V385 HydrophobicContact CZ-CG2 3.71Å; L381-V385 HydrophobicContact CD1-CG2 4.07Å; L381-V385 HydrophobicContact CG-CG2 4.42Å; L381-V385 WeakPolarHBondContact O-CB 3.33Å; L381-V385 VanDerWaalsContact O-CG2 3.28Å; L381-V385 WeakPolarHBondContact O-CG2 3.32Å; L381-V385 PolarHBondContact O-N 2.9Å; V385-I387 PolarHBondContact O-N 3.48Å; V385-N388 WeakPolarHBondContact O-CB 3.29Å; V385-N388 PolarHBondContact O-N 3.06Å; V385-E389 HydrophobicContact CG1-CG 4.18Å; V385-E389 WeakPolarHBondContact O-CB 3.35Å; V385-E389 VanDerWaalsContact O-CG 3.32Å; V385-E389 WeakPolarHBondContact O-CG 3.48Å; V385-E389 PolarHBondContact O-N 3.06Å
386C97.6Very high91.8Very high40 Ų4039.7 Ų39.727%0.2720%0.195SC..Hα-helixtrans-59.1-47.2177.5-176.60000112.3K340 E382 T383 A384 N388 E389 T390K340-C386 WeakPolarHBondContact CE-SG 3.34Å; E382-C386 WeakPolarHBondContact O-CB 3.46Å; E382-C386 PolarHBondContact O-N 3.27Å; T383-C386 WeakPolarHBondContact O-CB 3.46Å; T383-C386 PolarHBondContact O-N 3.31Å; A384-C386 VanDerWaalsContact C-N 3.33Å; C386-N388 VanDerWaalsContact C-N 3.33Å; C386-N388 PolarHBondContact O-N 2.89Å; C386-E389 PolarHBondContact O-N 3.44Å; C386-T390 PolarHBondContact O-N 3.23Å; C386-T390 PolarHBondContact O-OG1 2.95Å
387I98Very high92.4Very high1 Ų139.2 Ų39.21%0.00520%0.195CC..Hα-helixtrans-56.2-49.9175.1-65.1160.8000110.6L336 I339 K340 V343 I357 V361 T383 A384 V385 E389 T390 L391L336-I387 HydrophobicContact CB-CD1 4.35Å; L336-I387 HydrophobicContact CD2-CD1 3.78Å; L336-I387 WeakPolarHBondContact O-CD1 3.31Å; I339-I387 HydrophobicContact CB-CD1 4.16Å; I339-I387 HydrophobicContact CG2-CD1 4Å; I339-I387 HydrophobicContact CG2-CG1 4.39Å; I339-I387 HydrophobicContact CG2-CG2 3.87Å; K340-I387 HydrophobicContact CB-CD1 4.18Å; K340-I387 HydrophobicContact CB-CG1 3.71Å; K340-I387 HydrophobicContact CG-CG1 4.28Å; V343-I387 HydrophobicContact CG2-CG2 4.24Å; I357-I387 HydrophobicContact CG2-CG2 3.98Å; V361-I387 HydrophobicContact CG1-CB 4.14Å; V361-I387 HydrophobicContact CG1-CD1 4.38Å; V361-I387 HydrophobicContact CG1-CG2 4.2Å; V361-I387 HydrophobicContact CG2-CD1 4.1Å; V361-I387 HydrophobicContact CG2-CG2 4.03Å; T383-I387 HydrophobicContact CG2-CD1 4.34Å; T383-I387 VanDerWaalsContact O-CG1 3.3Å; T383-I387 WeakPolarHBondContact O-CG1 3.46Å; T383-I387 PolarHBondContact O-N 2.97Å; A384-I387 PolarHBondContact O-N 3.36Å; V385-I387 PolarHBondContact O-N 3.48Å; I387-E389 PolarHBondContact O-N 2.92Å; I387-T390 PolarHBondContact O-N 3.48Å; I387-L391 HydrophobicContact CG2-CD1 4.22Å; I387-L391 PolarHBondContact O-N 2.88Å
388N96.7Very high92.2Very high5 Ų539.5 Ų39.53%0.02720%0.197CC..Hα-helixtrans-60-46.1-178.1-174.969.7000112.3L362 F365 A384 V385 C386 L391 L392 W495L362-N388 HydrophobicContact CD2-CB 4.41Å; L362-N388 WeakPolarHBondContact CD2-OD1 3.28Å; F365-N388 HydrophobicContact CE2-CB 4.27Å; F365-N388 HydrophobicContact CZ-CB 3.65Å; A384-N388 WeakPolarHBondContact O-CB 3.3Å; A384-N388 PolarHBondContact O-N 3.24Å; V385-N388 WeakPolarHBondContact O-CB 3.29Å; V385-N388 PolarHBondContact O-N 3.06Å; C386-N388 VanDerWaalsContact C-N 3.33Å; C386-N388 PolarHBondContact O-N 2.89Å; N388-L391 PolarHBondContact O-N 3.23Å; N388-L392 WeakPolarHBondContact O-CB 3.22Å; N388-L392 WeakPolarHBondContact O-CG 3.35Å; N388-L392 PolarHBondContact O-N 2.99Å; N388-W495 PolarHBondContact OD1-NE1 3.47Å
389E97Very high91.3Very high44 Ų4437.6 Ų37.621%0.20619%0.191CC..Hα-helixtrans-64.5-40.5178-70.7-54.9128.900112.3V385 C386 I387 L392 K393 R494V385-E389 HydrophobicContact CG1-CG 4.18Å; V385-E389 WeakPolarHBondContact O-CB 3.35Å; V385-E389 VanDerWaalsContact O-CG 3.32Å; V385-E389 WeakPolarHBondContact O-CG 3.48Å; V385-E389 PolarHBondContact O-N 3.06Å; C386-E389 PolarHBondContact O-N 3.44Å; I387-E389 PolarHBondContact O-N 2.92Å; E389-L392 PolarHBondContact O-N 3.23Å; E389-K393 WeakPolarHBondContact O-CB 3.47Å; E389-K393 VanDerWaalsContact O-CG 3.26Å; E389-K393 WeakPolarHBondContact O-CG 3.33Å; E389-K393 PolarHBondContact O-N 2.81Å; E389-R494 VanDerWaalsContact CD-NH2 3.27Å; E389-R494 IonicContact OE1-CZ 2.77Å; E389-R494 IonicContact OE1-NH1 3.19Å; E389-R494 PolarHBondContact OE1-NH1 2.96Å; E389-R494 IonicContact OE1-NH2 2.86Å; E389-R494 PolarHBondContact OE1-NH2 3.42Å; E389-R494 VanDerWaalsContact OE1-NH2 3.11Å; E389-R494 IonicContact OE2-CZ 2.77Å; E389-R494 IonicContact OE2-NH1 3.67Å; E389-R494 IonicContact OE2-NH2 3.39Å; E389-R494 PolarHBondContact OE2-NH2 3.39Å
390T96.3Very high89.8Confident28 Ų2838.4 Ų38.417%0.17220%0.199CC..Hα-helixtrans-67-41.5178.3-56.60000111.2V343 P347 C386 I387 K393 G394V343-T390 HydrophobicContact CG1-CG2 3.63Å; P347-T390 HydrophobicContact CG-CG2 4.18Å; C386-T390 PolarHBondContact O-N 3.23Å; C386-T390 PolarHBondContact O-OG1 2.95Å; I387-T390 PolarHBondContact O-N 3.48Å; T390-K393 PolarHBondContact O-N 3.19Å; T390-G394 PolarHBondContact O-N 3.38Å
391L95.5Very high87.9Confident2 Ų241.8 Ų41.81%0.0122%0.222CC..Hα-helixtrans-63.4-46.3173.8-81.4177.7000112.5V343 M350 L351 I357 I387 N388 K393 G394 V395 W495V343-L391 HydrophobicContact CG1-CD2 3.94Å; V343-L391 HydrophobicContact CG1-CG 3.76Å; V343-L391 HydrophobicContact CG2-CD1 4.38Å; V343-L391 HydrophobicContact CG2-CD2 3.97Å; V343-L391 HydrophobicContact CG2-CG 4.03Å; M350-L391 HydrophobicContact CB-CD2 4.37Å; L351-L391 HydrophobicContact CD2-CD2 4.45Å; I357-L391 HydrophobicContact CB-CD1 4.02Å; I357-L391 HydrophobicContact CD1-CD1 4.23Å; I357-L391 HydrophobicContact CG2-CD1 3.54Å; I387-L391 HydrophobicContact CG2-CD1 4.22Å; I387-L391 PolarHBondContact O-N 2.88Å; N388-L391 PolarHBondContact O-N 3.23Å; L391-K393 VanDerWaalsContact C-N 3.28Å; L391-K393 PolarHBondContact O-N 3.19Å; L391-G394 WeakPolarHBondContact O-CA 3.48Å; L391-G394 PolarHBondContact O-N 2.98Å; L391-G394 VanDerWaalsContact O-N 3.08Å; L391-V395 WeakPolarHBondContact O-CG2 3.32Å; L391-V395 PolarHBondContact O-N 3.48Å; L391-W495 HydrophobicContact CB-CH2 3.84Å; L391-W495 HydrophobicContact CB-CZ2 3.85Å; L391-W495 HydrophobicContact CD1-CZ2 4.47Å
392L95.4Very high85.7Confident1 Ų142.4 Ų42.41%0.00523%0.226CC..Hα-helixtrans-59.7-38.8176.5-75.4172.4000112N388 E389 R396 R494 W495 V498N388-L392 WeakPolarHBondContact O-CB 3.22Å; N388-L392 WeakPolarHBondContact O-CG 3.35Å; N388-L392 PolarHBondContact O-N 2.99Å; E389-L392 PolarHBondContact O-N 3.23Å; L392-R396 PolarHBondContact O-N 2.85Å; L392-R494 HydrophobicContact CD1-CG 4.31Å; L392-W495 HydrophobicContact CD2-CD2 3.47Å; L392-W495 VanDerWaalsContact CD2-CD2 3.47Å; L392-W495 HydrophobicContact CD2-CE3 3.66Å; L392-W495 HydrophobicContact CD2-CG 3.97Å; L392-W495 HydrophobicContact CD2-CH2 4.07Å; L392-W495 HydrophobicContact CD2-CZ2 3.89Å; L392-W495 HydrophobicContact CD2-CZ3 3.97Å; L392-W495 HydrophobicContact CG-CD2 4.28Å; L392-W495 HydrophobicContact CG-CH2 4.36Å; L392-W495 HydrophobicContact CG-CZ2 3.91Å; L392-V498 HydrophobicContact CD2-CB 3.86Å; L392-V498 HydrophobicContact CD2-CG1 4.09Å; L392-V498 HydrophobicContact CD2-CG2 3.81Å
393K94Very high83.2Confident121 Ų12143 Ų4353%0.52623%0.23SC..Hα-helixtrans-64.4-43.3172.6-73.6171.1-175.3176.60111.5E389 T390 L391 V395 R396 L397E389-K393 WeakPolarHBondContact O-CB 3.47Å; E389-K393 VanDerWaalsContact O-CG 3.26Å; E389-K393 WeakPolarHBondContact O-CG 3.33Å; E389-K393 PolarHBondContact O-N 2.81Å; T390-K393 PolarHBondContact O-N 3.19Å; L391-K393 VanDerWaalsContact C-N 3.28Å; L391-K393 PolarHBondContact O-N 3.19Å; K393-V395 VanDerWaalsContact C-N 3.34Å; K393-V395 PolarHBondContact O-N 2.85Å; K393-R396 PolarHBondContact O-N 3.39Å; K393-L397 WeakPolarHBondContact O-CG 3.16Å; K393-L397 PolarHBondContact O-N 3.28Å
394G90.3Very high80.4Confident2 Ų247.5 Ų47.52%0.02125%0.254CS..Hα-helixtrans-56.8-44.6175.700000112.7H348 T390 L391 L397 F398H348-G394 PolarHBondContact CE1-O 3.38Å; T390-G394 PolarHBondContact O-N 3.38Å; L391-G394 WeakPolarHBondContact O-CA 3.48Å; L391-G394 PolarHBondContact O-N 2.98Å; L391-G394 VanDerWaalsContact O-N 3.08Å; G394-L397 PolarHBondContact O-N 2.84Å; G394-F398 WeakPolarHBondContact O-CB 3.38Å; G394-F398 PolarHBondContact O-N 3.31Å
395V91.3Very high77.6Confident1 Ų154.4 Ų54.41%0.00629%0.291CS..Hα-helixtrans-61.6-44.7175.9174.10000111.8L351 L391 K393 F398 L468 W495 V498 L499 V502L351-V395 HydrophobicContact CD2-CG2 3.59Å; L391-V395 WeakPolarHBondContact O-CG2 3.32Å; L391-V395 PolarHBondContact O-N 3.48Å; K393-V395 VanDerWaalsContact C-N 3.34Å; K393-V395 PolarHBondContact O-N 2.85Å; V395-F398 PolarHBondContact O-N 3.04Å; V395-L468 HydrophobicContact CG1-CD2 4.09Å; V395-L468 HydrophobicContact CG2-CD1 3.98Å; V395-W495 HydrophobicContact CG2-CH2 4.23Å; V395-W495 HydrophobicContact CG2-CZ3 3.92Å; V395-V498 HydrophobicContact CG1-CG1 4.34Å; V395-L499 HydrophobicContact CG1-CD2 4.46Å; V395-V502 HydrophobicContact CG1-CB 4.47Å; V395-V502 HydrophobicContact CG1-CG1 4.3Å; V395-V502 HydrophobicContact CG1-CG2 4.32Å
396R90.7Very high74.5Confident92 Ų9255.7 Ų55.735%0.34730%0.302SS..Hα-helixtrans-64.7-40.8177.9-73.9178.9169.2145.3-10.7112.9L392 K393 S400 V498 E501 V502L392-R396 PolarHBondContact O-N 2.85Å; K393-R396 PolarHBondContact O-N 3.39Å; R396-S400 PolarHBondContact O-OG 3.31Å; R396-V498 HydrophobicContact CG-CG1 3.77Å; R396-V498 VanDerWaalsContact NH2-CG2 3.34Å; R396-E501 IonicContact CZ-OE2 2.73Å; R396-E501 IonicContact NE-OE2 3.75Å; R396-E501 IonicContact NH2-OE2 2.67Å; R396-E501 PolarHBondContact NH2-OE2 3.14Å; R396-V502 HydrophobicContact CG-CG2 4.25Å
397L86.1Confident71.2Confident99 Ų9960.8 Ų60.852%0.51833%0.327SS..Hα-helixtrans-70.7-33.3179.4-71.1174000112.2K393 G394 N399 S400 C401K393-L397 WeakPolarHBondContact O-CG 3.16Å; K393-L397 PolarHBondContact O-N 3.28Å; G394-L397 PolarHBondContact O-N 2.84Å; L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 3.47Å; L397-S400 WeakPolarHBondContact O-CB 3.47Å; L397-S400 PolarHBondContact O-N 3.07Å; L397-C401 PolarHBondContact O-N 2.84Å
398F74.9Confident67.8Low32 Ų3265.5 Ų65.514%0.1436%0.359CS..Hα-helixtrans-55.6-42-179.3179.7-106.7000112.1H348 L351 G394 V395 S400 C401 T402 I467H348-F398 AromaticContact ND1-CD2 3.79Å; L351-F398 HydrophobicContact CD1-CB 4.1Å; L351-F398 HydrophobicContact CD1-CD2 4.31Å; L351-F398 HydrophobicContact CD1-CG 4.14Å; G394-F398 WeakPolarHBondContact O-CB 3.38Å; G394-F398 PolarHBondContact O-N 3.31Å; V395-F398 PolarHBondContact O-N 3.04Å; F398-S400 VanDerWaalsContact C-N 3.33Å; F398-S400 PolarHBondContact O-N 3.5Å; F398-C401 PolarHBondContact O-N 3.44Å; F398-T402 PolarHBondContact O-N 3.03Å; F398-I467 HydrophobicContact CE2-CB 4.31Å; F398-I467 HydrophobicContact CE2-CD1 3.67Å; F398-I467 HydrophobicContact CE2-CG2 4.11Å; F398-I467 HydrophobicContact CZ-CB 3.96Å; F398-I467 HydrophobicContact CZ-CD1 3.71Å; F398-I467 HydrophobicContact CZ-CG1 4.36Å; F398-I467 HydrophobicContact CZ-CG2 4.19Å
399N65.2Low64.3Low53 Ų5371.6 Ų71.628%0.28340%0.401SS..Hα-helixtrans-75.4-22.1179.2-146.325.6000113.7L397 T402 M403 V502L397-N399 VanDerWaalsContact C-N 3.26Å; L397-N399 PolarHBondContact O-N 3.47Å; N399-T402 WeakPolarHBondContact CA-OG1 3.49Å; N399-T402 PolarHBondContact O-OG1 3.3Å; N399-T402 PolarHBondContact OD1-OG1 3.2Å; N399-M403 WeakPolarHBondContact O-CG 3.34Å; N399-M403 PolarHBondContact O-N 3.27Å; N399-V502 HydrophobicContact CB-CG1 3.77Å; N399-V502 PolarHBondContact ND2-O 3.26Å
400S56Low60.8Low66 Ų6678.2 Ų78.246%0.46243%0.432SS..Hα-helixtrans-73.1-33.6174.9-57.10000111.4R396 L397 F398R396-S400 PolarHBondContact O-OG 3.31Å; L397-S400 WeakPolarHBondContact O-CB 3.47Å; L397-S400 PolarHBondContact O-N 3.07Å; F398-S400 VanDerWaalsContact C-N 3.33Å; F398-S400 PolarHBondContact O-N 3.5Å
401C49.3Very low57.4Low79 Ų7982.2 Ų82.253%0.53446%0.461SS..Hα-helixtrans-73.9-29177.7-66.90000113.1L397 F398L397-C401 PolarHBondContact O-N 2.84Å; F398-C401 PolarHBondContact O-N 3.44Å
402T44.8Very low54.3Low41 Ų4192.2 Ų92.225%0.25250%0.504SS..Hα-helixtrans-76.9-40179.351.80000112.4F398 N399 N404 N405F398-T402 PolarHBondContact O-N 3.03Å; N399-T402 WeakPolarHBondContact CA-OG1 3.49Å; N399-T402 PolarHBondContact O-OG1 3.3Å; N399-T402 PolarHBondContact OD1-OG1 3.2Å; T402-N404 PolarHBondContact O-N 3.46Å; T402-N405 PolarHBondContact O-N 3.1Å
403M39.9Very low50.8Low115 Ų11596.1 Ų96.157%0.56754%0.537SS*.Hα-helixtrans-69.1-30.1-179.1-68.1-66.7141.700113.4N399 N405 S406N399-M403 WeakPolarHBondContact O-CG 3.34Å; N399-M403 PolarHBondContact O-N 3.27Å; M403-N405 PolarHBondContact O-N 3.18Å; M403-S406 PolarHBondContact O-N 2.77Å; M403-S406 PolarHBondContact O-OG 3.43Å
404N36.9Very low47.5Very low123 Ų12398.1 Ų98.166%0.65855%0.548SS*.THydrogen-bonded Turntrans-74.3-12.2178.6-75.9-10.7000113.9T402T402-N404 PolarHBondContact O-N 3.46Å
405N36.4Very low44.4Very low145 Ų145105.2 Ų105.278%0.77559%0.585SS**THydrogen-bonded Turntrans-92.1-5.9178.5-80.5-15.1000114T402 M403T402-N405 PolarHBondContact O-N 3.1Å; M403-N405 PolarHBondContact O-N 3.18Å
406S31.4Very low41.4Very low79 Ų79109.6 Ų109.655%0.55262%0.621SS**THydrogen-bonded Turntrans-93.9-19.4176.249.60000115.1M403M403-S406 PolarHBondContact O-N 2.77Å; M403-S406 PolarHBondContact O-OG 3.43Å
407D29.5Very low38.2Very low148 Ų148113.7 Ų113.779%0.79165%0.647SS**SBendtrans-115.823.7-166.6-77.9-6.6000116.8
408S26.8Very low35.4Very low99 Ų99116.9 Ų116.969%0.69266%0.664SS**  trans-134.657176.358.70000114.8
409C23.4Very low33Very low133 Ų133119.9 Ų119.990%0.89969%0.689SS**  trans-118.441.1166.6-90.60000112.8
410E23.7Very low31.1Very low184 Ų184129.1 Ų129.186%0.8672%0.72SS**SBendtrans-138.9122.8163.2-85.9-173.9175.500112.2
411S24.9Very low29.4Very low112 Ų112136.8 Ų136.878%0.78374%0.739SS**  trans72.396162.775.10000118.3
412K29Very low28.2Very low211 Ų211138.7 Ų138.792%0.91775%0.748SS**  -17383.9126.1-98160.2-169.91800109.7
413A23.1Very low27.2Very low83 Ų83141.1 Ų141.169%0.68677%0.766SS**  trans-62.2154.5155.600000109.8
414H23.2Very low26.5Very low163 Ų163143.5 Ų143.576%0.75578%0.78SS**  trans89.593.1174.4-57.7-72000116.8
415N26.6Very low25.8Very low152 Ų152144.8 Ų144.881%0.81379%0.788SS**  162.6152.294.7-83.7-37.2000112.1
416A27.7Very low25.2Very low92 Ų92144 Ų14476%0.7679%0.793SS**  trans7785.5162.500000118D418A416-D418 PolarHBondContact O-N 3.44Å
417M22.9Very low24.9Very low179 Ų179143.7 Ų143.788%0.88280%0.803SS**  -3.1115.7124.1-107.4171.6168.300114.6
418D27.9Very low24.5Very low166 Ų166144.9 Ų144.989%0.88881%0.809SS**  trans-147.2126.4130.3-134.4-18.9000111.3A416A416-D418 PolarHBondContact O-N 3.44Å
419S24.3Very low24.5Very low95 Ų95149.4 Ų149.466%0.66482%0.819SS**  trans-95.3113.6-170.1-630000109.4
420R24.9Very low24.4Very low246 Ų246148.2 Ų148.293%0.92881%0.812SS**  trans-148.566.3157.9-119.3175.3-131.6-172.33.5111.6V422R420-V422 PolarHBondContact O-N 2.87Å
421R20.8Very low24.5Very low228 Ų228148.7 Ų148.786%0.8682%0.815SS**  trans-85.199165.5-165.7-179.4-154.3176.75.2108S423R421-S423 PolarHBondContact O-N 3.04Å
422V23.7Very low24.3Very low119 Ų119148.2 Ų148.272%0.72181%0.811SS**  trans-87.597.11641780000106.7R420 L424R420-V422 PolarHBondContact O-N 2.87Å; V422-L424 HydrophobicContact CG1-CG 4.45Å; V422-L424 PolarHBondContact O-N 2.68Å
423S24.9Very low23.9Very low92 Ų92143.8 Ų143.864%0.64381%0.807SS**  trans-77.4107.9169.5-70.70000109R421R421-S423 PolarHBondContact O-N 3.04Å
424L24.2Very low23.9Very low164 Ų164147.1 Ų147.186%0.85981%0.812SS**  trans-95.2100.9160.9-80.7156.7000107.3V422V422-L424 HydrophobicContact CG1-CG 4.45Å; V422-L424 PolarHBondContact O-N 2.68Å
425N22Very low23.7Very low151 Ų151148.2 Ų148.281%0.80781%0.814SS**  trans-107.7150.8167.1-120.713.6000107.8
426S24.3Very low23.4Very low128 Ų128150.9 Ų150.990%0.89582%0.819SS**  trans96125.5169.680.40000116.9
427G24.6Very low23Very low73 Ų73151 Ų15175%0.75381%0.814SS**  trans157.348.6170.200000115.2Q429G427-Q429 PolarHBondContact O-N 2.95Å
428N22.6Very low23.1Very low173 Ų173151.7 Ų151.793%0.92582%0.815SS**  trans-62.9114.4161.1-88.3-13.6000108.4
429Q26.6Very low22.7Very low193 Ų193147.8 Ų147.890%0.90281%0.806SS**  trans-121.9110.2158.4-74-170.37.800108.6G427G427-Q429 PolarHBondContact O-N 2.95Å
430S21.4Very low22.6Very low108 Ų108151.7 Ų151.776%0.75581%0.814SS**  trans-79.8128.5165.448.90000109.8
431E24.3Very low22.6Very low195 Ų195147.4 Ų147.491%0.91181%0.809SS**  trans170.7136.6157.1-101.3165.8-160.800105.6
432S21.5Very low22.8Very low102 Ų102141.5 Ų141.571%0.71380%0.803SS**  cis-167.8138.2-8.352.60000105
433S20Very low22.7Very low118 Ų118141.6 Ų141.683%0.82580%0.804SS**  trans-75.5124.5178.8-52.50000111.3
434I23Very low22.8Very low153 Ų153147.2 Ų147.279%0.78582%0.817SS**  trans-96.1109163.8-62.1178.9000107.9
435K20Very low22.7Very low186 Ų186147.7 Ų147.781%0.80981%0.814SS**  trans-74.8127.1171.8-73173.7173.7175.10109.4
436F20.5Very low22.8Very low208 Ų208150.3 Ų150.391%0.91282%0.819SS**  trans-109124151.6-106.9-86000108.7
437S19.7Very low22.9Very low95 Ų95149 Ų14966%0.66482%0.816SS**  trans-125126.9-177.549.40000108.1
438Q23.5Very low22.8Very low193 Ų193153.3 Ų153.390%0.90282%0.822SS**  trans161.3110.4151.2-94.9171.3-8.500107
439A20.2Very low23Very low83 Ų83150.3 Ų150.369%0.68681%0.814SS**  92.2124.969.800000112
440E22.5Very low23Very low178 Ų178145.9 Ų145.983%0.83281%0.805SS**  trans78.5100.5154.5-62.6173.4-172.700119.3
441N24.9Very low23.1Very low155 Ų155148.5 Ų148.583%0.82981%0.809SS**  -167.8104.3116.6-95.6-36.7000112.8
442S24.9Very low23.1Very low104 Ų104145.7 Ų145.773%0.72780%0.8SS**  41.191.3127.1-42.70000119.7
443T20.4Very low23.2Very low122 Ų122147.3 Ų147.375%0.74881%0.807SS**  35.9107.5125.5-39.40000118.8
444K27.6Very low23.4Very low209 Ų209147.1 Ų147.191%0.90980%0.8SS**  trans-152.8112.1132.5-107.6172-171.1-177.30110.2
445Q22.3Very low23.4Very low174 Ų174146.1 Ų146.181%0.81380%0.802SS**  trans-63.3125.3179.1-65.9162.5-13.400110.8
446F24.3Very low23.6Very low207 Ų207143.5 Ų143.591%0.90880%0.796SS**  trans-135131145.4-101-85.7000107.1D448F446-D448 PolarHBondContact O-N 3.35Å
447A25.5Very low23.9Very low100 Ų100139.2 Ų139.283%0.82679%0.793SS**  trans-68.2118.8-161.800000112.8S449A447-S449 PolarHBondContact O-N 2.96Å
448D23.7Very low24.2Very low164 Ų164140.8 Ų140.888%0.87779%0.793SS**  trans-70.3115.1162-79.2-36.4000109.1F446 S450F446-D448 PolarHBondContact O-N 3.35Å; D448-S450 PolarHBondContact O-N 2.87Å
449S26.6Very low24.4Very low109 Ų109136 Ų13676%0.76278%0.781SS**  trans-77.3101.9163.737.40000107.6A447 L451A447-S449 PolarHBondContact O-N 2.96Å; S449-L451 PolarHBondContact O-N 3.32Å
450S25.3Very low24.7Very low101 Ų101135.8 Ų135.871%0.70679%0.786SS**  trans-55.2102.4171.451.80000111D448 N452D448-S450 PolarHBondContact O-N 2.87Å; S450-N452 PolarHBondContact O-N 3.39Å
451L23.6Very low25Very low163 Ų163135.5 Ų135.585%0.85379%0.785SS**  trans-83101.8164-110.2130.2000108S449 T453S449-L451 PolarHBondContact O-N 3.32Å; L451-T453 PolarHBondContact O-N 2.99Å; L451-T453 VanDerWaalsContact O-N 3.13Å
452N25.9Very low25.3Very low135 Ų135134.2 Ų134.272%0.72277%0.774SS**  trans-57.2111.6173.7-70.7-25.4000109.8S450 T454S450-N452 PolarHBondContact O-N 3.39Å; N452-T454 VanDerWaalsContact C-N 3.32Å; N452-T454 PolarHBondContact O-N 3.11Å
453T22.7Very low25.6Very low137 Ų137134.5 Ų134.584%0.8477%0.767SS**  trans-75.387166.511.80000107.6L451 T455L451-T453 PolarHBondContact O-N 2.99Å; L451-T453 VanDerWaalsContact O-N 3.13Å; T453-T455 PolarHBondContact O-N 3.01Å; T453-T455 VanDerWaalsContact O-N 3.17Å
454T24.8Very low26.6Very low113 Ų113131.4 Ų131.469%0.69375%0.751SS**  trans-70.3108.2168.845.20000108.3N452 D456N452-T454 VanDerWaalsContact C-N 3.32Å; N452-T454 PolarHBondContact O-N 3.11Å; T454-D456 PolarHBondContact O-N 2.74Å
455T22.9Very low27.6Very low133 Ų133124.4 Ų124.482%0.81673%0.728SS**  trans-62.878168470000109.8T453 S457T453-T455 PolarHBondContact O-N 3.01Å; T453-T455 VanDerWaalsContact O-N 3.17Å; T455-S457 PolarHBondContact O-N 3.49Å
456D24Very low29.3Very low130 Ų130125.4 Ų125.470%0.69572%0.724SS**  trans-83.5113.3174.8-107.4-16.8000110.1T454 L458T454-D456 PolarHBondContact O-N 2.74Å; D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 HydrophobicContact CB-CD1 4.48Å; D456-L458 HydrophobicContact CB-CG 4.47Å; D456-L458 PolarHBondContact O-N 3.38Å
457S26.1Very low31.6Very low119 Ų119118.4 Ų118.483%0.83270%0.696SS**  trans-7684.9174.9-58.80000108.5T455T455-S457 PolarHBondContact O-N 3.49Å
458L26.5Very low34.2Very low128 Ų128114.3 Ų114.367%0.6766%0.66SS**  trans-106.9114.8175.3-71.4170.5000110.5D456D456-L458 VanDerWaalsContact C-N 3.35Å; D456-L458 HydrophobicContact CB-CD1 4.48Å; D456-L458 HydrophobicContact CB-CG 4.47Å; D456-L458 PolarHBondContact O-N 3.38Å
459S27.4Very low37.2Very low93 Ų93109 Ų10965%0.6564%0.635SS**  trans3.8125154.748.90000117.5E461S459-E461 PolarHBondContact O-N 2.91Å
460G27Very low40.2Very low78 Ų78103.9 Ų103.980%0.80460%0.599SS**THydrogen-bonded Turntrans-64.231.8-169.600000119.8
461E28.1Very low43.3Very low172 Ų172103.7 Ų103.780%0.80459%0.59SS**THydrogen-bonded Turntrans-91.5-14.5170.9-73.6-177.1160.600113.3S459 N463S459-E461 PolarHBondContact O-N 2.91Å; E461-N463 PolarHBondContact O-N 2.99Å
462Q31.3Very low46.7Very low127 Ų12797.1 Ų97.159%0.59356%0.56SS**THydrogen-bonded Turntrans-82.7-2.2-172.5-72.3-85.1-20.100115.3S464Q462-S464 PolarHBondContact O-N 2.86Å
463N31.3Very low50Low110 Ų11090.8 Ų90.859%0.58853%0.526SS*.THydrogen-bonded Turntrans-73.7-24.6-178-84.8-11.9000113.6E461E461-N463 PolarHBondContact O-N 2.99Å
464S42.2Very low53.4Low57 Ų5784.2 Ų84.240%0.39949%0.486SS..THydrogen-bonded Turntrans-68.7-41.6179.9-56.20000112.1Q462 R466 I467Q462-S464 PolarHBondContact O-N 2.86Å; S464-R466 VanDerWaalsContact C-N 3.26Å; S464-R466 PolarHBondContact O-N 3.44Å; S464-I467 PolarHBondContact O-N 3.28Å
465S48.9Very low56.8Low62 Ų6281.8 Ų81.843%0.43447%0.466SS..THydrogen-bonded Turntrans-70-20.2-179.1-46.80000113.3I467S465-I467 VanDerWaalsContact C-N 3.31Å; S465-I467 PolarHBondContact O-N 3.34Å
466R57.4Low60.2Low195 Ų19575.8 Ų75.874%0.73643%0.43SS*.THydrogen-bonded Turntrans-72.9-23.2178.9-78.9-175.2176.8177.30.1113.5S464S464-R466 VanDerWaalsContact C-N 3.26Å; S464-R466 PolarHBondContact O-N 3.44Å
467I72.1Confident63.6Low61 Ų6169.6 Ų69.631%0.31340%0.397SS..THydrogen-bonded Turntrans-86.9-42-175.9-63.6172.4000111L351 P352 F398 S464 S465L351-I467 CarbonylContact C-O 3.54Å; L351-I467 HydrophobicContact CB-CG2 3.95Å; L351-I467 HydrophobicContact CD1-CG2 4.28Å; P352-I467 WeakPolarHBondContact CA-O 3.28Å; P352-I467 HydrophobicContact CG-CG2 4.36Å; F398-I467 HydrophobicContact CE2-CB 4.31Å; F398-I467 HydrophobicContact CE2-CD1 3.67Å; F398-I467 HydrophobicContact CE2-CG2 4.11Å; F398-I467 HydrophobicContact CZ-CB 3.96Å; F398-I467 HydrophobicContact CZ-CD1 3.71Å; F398-I467 HydrophobicContact CZ-CG1 4.36Å; F398-I467 HydrophobicContact CZ-CG2 4.19Å; S464-I467 PolarHBondContact O-N 3.28Å; S465-I467 VanDerWaalsContact C-N 3.31Å; S465-I467 PolarHBondContact O-N 3.34Å
468L80.4Confident67Low13 Ų1364 Ų647%0.06836%0.358CS..SBendtrans-106.8101.8178.4-170.873.2000109.5L351 V395 T470 I473 L499L351-L468 HydrophobicContact CD2-CD1 4.44Å; V395-L468 HydrophobicContact CG1-CD2 4.09Å; V395-L468 HydrophobicContact CG2-CD1 3.98Å; L468-T470 PolarHBondContact O-N 2.86Å; L468-I473 HydrophobicContact CD1-CD1 3.42Å; L468-I473 VanDerWaalsContact CD1-CD1 3.42Å; L468-I473 HydrophobicContact CG-CD1 3.99Å; L468-L499 HydrophobicContact CD2-CD2 3.91Å
469C87Confident70.3Confident52 Ų5260.7 Ų60.735%0.35134%0.339SS..  trans-74.976.8174.6-59.90000110.7D471 A472 I473C469-D471 VanDerWaalsContact C-N 3.27Å; C469-D471 PolarHBondContact O-N 3.45Å; C469-A472 HydrophobicContact CB-CB 4Å; C469-A472 PolarHBondContact O-N 3.14Å; C469-A472 VanDerWaalsContact O-N 3.09Å; C469-I473 WeakPolarHBondContact O-CG1 3.4Å; C469-I473 PolarHBondContact O-N 3.33Å; C469-I473 VanDerWaalsContact O-N 3.09Å
470T88.6Confident73.5Confident3 Ų356.8 Ų56.82%0.01831%0.31CS..Hα-helixtrans-53.2-43.2-176.5-52.40000112L468 A472 I473 L474 L499 D506L468-T470 PolarHBondContact O-N 2.86Å; T470-A472 PolarHBondContact O-N 2.96Å; T470-I473 PolarHBondContact O-N 2.78Å; T470-L474 HydrophobicContact CG2-CD1 3.87Å; T470-L474 HydrophobicContact CG2-CG 4.17Å; T470-L474 WeakPolarHBondContact O-CB 3.45Å; T470-L474 WeakPolarHBondContact O-CG 3.5Å; T470-L474 PolarHBondContact O-N 3.38Å; T470-L499 HydrophobicContact CG2-CD1 4.46Å; T470-L499 HydrophobicContact CG2-CD2 4.47Å; T470-D506 HydrophobicContact CG2-CB 3.62Å; T470-D506 PolarHBondContact OG1-OD2 3.17Å
471D92.1Very high76.9Confident97 Ų9753.1 Ų53.152%0.51927%0.273SS..Hα-helixtrans-56.5-47177.4-53.4-101.3000112.3C469 I473 L474 E475 H510C469-D471 VanDerWaalsContact C-N 3.27Å; C469-D471 PolarHBondContact O-N 3.45Å; D471-I473 PolarHBondContact O-N 2.78Å; D471-L474 PolarHBondContact O-N 3.18Å; D471-E475 WeakPolarHBondContact O-CB 3.25Å; D471-E475 PolarHBondContact O-N 3.29Å; D471-H510 IonicContact OD1-CE1 3.38Å; D471-H510 PolarHBondContact OD1-CE1 3.32Å; D471-H510 IonicContact OD1-NE2 3.67Å; D471-H510 PolarHBondContact OD1-NE2 2.7Å
472A93.6Very high79.9Confident25 Ų2548.5 Ų48.521%0.20725%0.253CS..Hα-helixtrans-69.3-34.5-178.600000112.1C469 T470 A476C469-A472 HydrophobicContact CB-CB 4Å; C469-A472 PolarHBondContact O-N 3.14Å; C469-A472 VanDerWaalsContact O-N 3.09Å; T470-A472 PolarHBondContact O-N 2.96Å; A472-A476 WeakPolarHBondContact O-CB 3.23Å; A472-A476 PolarHBondContact O-N 3.47Å; A472-A476 VanDerWaalsContact O-N 3.09Å
473I95.3Very high82.7Confident1 Ų144 Ų441%0.00523%0.233CC..Hα-helixtrans-70.7-42.5175.7-61.5168.2000110.3A354 I358 L468 C469 T470 D471 A476 T477 W495 L499A354-I473 HydrophobicContact CB-CD1 3.9Å; A354-I473 HydrophobicContact CB-CG1 4.28Å; I358-I473 HydrophobicContact CD1-CG1 4.36Å; I358-I473 HydrophobicContact CD1-CG2 3.56Å; L468-I473 HydrophobicContact CD1-CD1 3.42Å; L468-I473 VanDerWaalsContact CD1-CD1 3.42Å; L468-I473 HydrophobicContact CG-CD1 3.99Å; C469-I473 WeakPolarHBondContact O-CG1 3.4Å; C469-I473 PolarHBondContact O-N 3.33Å; C469-I473 VanDerWaalsContact O-N 3.09Å; T470-I473 PolarHBondContact O-N 2.78Å; D471-I473 PolarHBondContact O-N 2.78Å; I473-A476 PolarHBondContact O-N 3.43Å; I473-T477 HydrophobicContact CG2-CG2 4.21Å; I473-T477 WeakPolarHBondContact O-CB 3.4Å; I473-T477 VanDerWaalsContact O-CG2 3.28Å; I473-T477 WeakPolarHBondContact O-CG2 3.34Å; I473-T477 PolarHBondContact O-N 3.19Å; I473-T477 PolarHBondContact O-OG1 2.61Å; I473-W495 HydrophobicContact CG2-CE3 4.01Å; I473-W495 HydrophobicContact CG2-CZ3 4.46Å; I473-L499 HydrophobicContact CB-CD1 4.25Å; I473-L499 HydrophobicContact CG2-CD1 3.69Å
474L95.3Very high85.5Confident0 Ų044.5 Ų44.50%025%0.246CC..Hα-helixtrans-62-44.7175.7-73.6175.6000111.1T470 D471 A476 T477 F478 I496 L499 V507 H510T470-L474 HydrophobicContact CG2-CD1 3.87Å; T470-L474 HydrophobicContact CG2-CG 4.17Å; T470-L474 WeakPolarHBondContact O-CB 3.45Å; T470-L474 WeakPolarHBondContact O-CG 3.5Å; T470-L474 PolarHBondContact O-N 3.38Å; D471-L474 PolarHBondContact O-N 3.18Å; L474-A476 PolarHBondContact O-N 3.47Å; L474-T477 WeakPolarHBondContact CA-OG1 2.89Å; L474-T477 PolarHBondContact O-N 3.44Å; L474-T477 PolarHBondContact O-OG1 3.19Å; L474-F478 HydrophobicContact CB-CD2 4.3Å; L474-F478 HydrophobicContact CB-CE2 3.89Å; L474-F478 HydrophobicContact CB-CZ 4.5Å; L474-F478 HydrophobicContact CD2-CZ 4.36Å; L474-F478 WeakPolarHBondContact O-CB 3.36Å; L474-F478 WeakPolarHBondContact O-CD2 3.23Å; L474-F478 VanDerWaalsContact O-CG 3.23Å; L474-F478 WeakPolarHBondContact O-CG 3.45Å; L474-F478 PolarHBondContact O-N 3.48Å; L474-I496 HydrophobicContact CD2-CG1 4.24Å; L474-L499 HydrophobicContact CD2-CD1 3.91Å; L474-L499 HydrophobicContact CG-CD1 4.21Å; L474-V507 HydrophobicContact CD1-CG2 4.41Å; L474-V507 HydrophobicContact CD2-CG2 4.49Å; L474-H510 HydrophobicContact CD1-CB 4.14Å; L474-H510 WeakPolarHBondContact CD1-ND1 2.97Å
475E95.2Very high87.7Confident62 Ų6242.6 Ų42.629%0.2923%0.232SC..Hα-helixtrans-58-48.5174.7-176.260.7-128.500111.7I297 D471 T477 F478 Q479 R513I297-E475 HydrophobicContact CD1-CB 3.87Å; I297-E475 HydrophobicContact CD1-CG 3.41Å; I297-E475 VanDerWaalsContact CD1-CG 3.41Å; I297-E475 HydrophobicContact CG1-CG 4.3Å; D471-E475 WeakPolarHBondContact O-CB 3.25Å; D471-E475 PolarHBondContact O-N 3.29Å; E475-T477 PolarHBondContact O-N 3.12Å; E475-F478 PolarHBondContact O-N 2.85Å; E475-Q479 WeakPolarHBondContact O-CG 3.35Å; E475-Q479 PolarHBondContact O-N 3.17Å; E475-Q479 PolarHBondContact OE1-NE2 3.11Å; E475-R513 VanDerWaalsContact CD-NH1 3.25Å; E475-R513 IonicContact OE1-CZ 2.64Å; E475-R513 IonicContact OE1-NH1 3.3Å; E475-R513 PolarHBondContact OE1-NH1 2.95Å; E475-R513 IonicContact OE1-NH2 2.98Å; E475-R513 PolarHBondContact OE1-NH2 3.1Å; E475-R513 IonicContact OE2-CZ 2.7Å; E475-R513 IonicContact OE2-NH1 3.93Å; E475-R513 PolarHBondContact OE2-NH1 3.01Å; E475-R513 IonicContact OE2-NH2 3.11Å
476A94.1Very high89.8Confident7 Ų741.9 Ų41.96%0.05822%0.223CC..Hα-helixtrans-61.1-43.6178.300000112I297 A472 I473 L474 Q479 L480I297-A476 HydrophobicContact CD1-CB 4.18Å; A472-A476 WeakPolarHBondContact O-CB 3.23Å; A472-A476 PolarHBondContact O-N 3.47Å; A472-A476 VanDerWaalsContact O-N 3.09Å; I473-A476 PolarHBondContact O-N 3.43Å; L474-A476 PolarHBondContact O-N 3.47Å; A476-Q479 PolarHBondContact O-N 3.46Å; A476-L480 WeakPolarHBondContact O-CD1 3.28Å; A476-L480 VanDerWaalsContact O-CG 3.25Å; A476-L480 WeakPolarHBondContact O-CG 3.42Å; A476-L480 PolarHBondContact O-N 2.93Å
477T96.5Very high91.5Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-70.1-41-179.252.70000112.2I358 I473 L474 E475 Q479 L480 L481 W495I358-T477 HydrophobicContact CG2-CG2 4.2Å; I473-T477 HydrophobicContact CG2-CG2 4.21Å; I473-T477 WeakPolarHBondContact O-CB 3.4Å; I473-T477 VanDerWaalsContact O-CG2 3.28Å; I473-T477 WeakPolarHBondContact O-CG2 3.34Å; I473-T477 PolarHBondContact O-N 3.19Å; I473-T477 PolarHBondContact O-OG1 2.61Å; L474-T477 WeakPolarHBondContact CA-OG1 2.89Å; L474-T477 PolarHBondContact O-N 3.44Å; L474-T477 PolarHBondContact O-OG1 3.19Å; E475-T477 PolarHBondContact O-N 3.12Å; T477-Q479 VanDerWaalsContact C-N 3.29Å; T477-Q479 PolarHBondContact O-N 2.79Å; T477-L480 CarbonylContact O-C 3.57Å; T477-L480 WeakPolarHBondContact O-CA 3.04Å; T477-L480 PolarHBondContact O-N 3.3Å; T477-L481 WeakPolarHBondContact O-CG 3.17Å; T477-L481 PolarHBondContact O-N 3.46Å; T477-W495 HydrophobicContact CG2-CB 3.56Å; T477-W495 HydrophobicContact CG2-CG 4.1Å
478F97.3Very high92.6Very high1 Ų135 Ų350%0.00420%0.196CC..Hα-helixtrans-59.7-38.8175.1-70-42.6000112.4L474 E475 L480 L481 N482 I496 H510 R513 L514L474-F478 HydrophobicContact CB-CD2 4.3Å; L474-F478 HydrophobicContact CB-CE2 3.89Å; L474-F478 HydrophobicContact CB-CZ 4.5Å; L474-F478 HydrophobicContact CD2-CZ 4.36Å; L474-F478 WeakPolarHBondContact O-CB 3.36Å; L474-F478 WeakPolarHBondContact O-CD2 3.23Å; L474-F478 VanDerWaalsContact O-CG 3.23Å; L474-F478 WeakPolarHBondContact O-CG 3.45Å; L474-F478 PolarHBondContact O-N 3.48Å; E475-F478 PolarHBondContact O-N 2.85Å; F478-L480 VanDerWaalsContact C-N 3.33Å; F478-L481 HydrophobicContact CD1-CD1 3.98Å; F478-L481 PolarHBondContact O-N 2.88Å; F478-N482 PolarHBondContact O-ND2 2.9Å; F478-I496 HydrophobicContact CD1-CD1 4.02Å; F478-I496 HydrophobicContact CE1-CD1 3.85Å; F478-H510 HydrophobicContact CE2-CB 4.36Å; F478-R513 HydrophobicContact CD2-CG 4.2Å; F478-R513 HydrophobicContact CE2-CB 4.48Å; F478-R513 HydrophobicContact CE2-CG 4.23Å; F478-L514 HydrophobicContact CE1-CD1 3.94Å; F478-L514 HydrophobicContact CZ-CB 4.27Å; F478-L514 HydrophobicContact CZ-CD1 4.27Å
479Q94.6Very high93.4Very high58 Ų5835.9 Ų35.927%0.27120%0.199SC..Hα-helixtrans-64.9-39.5173.8-67.8176.812.900111.6N294 E475 A476 T477 L481 N482N294-Q479 PolarHBondContact O-OE1 2.88Å; E475-Q479 WeakPolarHBondContact O-CG 3.35Å; E475-Q479 PolarHBondContact O-N 3.17Å; E475-Q479 PolarHBondContact OE1-NE2 3.11Å; A476-Q479 PolarHBondContact O-N 3.46Å; T477-Q479 VanDerWaalsContact C-N 3.29Å; T477-Q479 PolarHBondContact O-N 2.79Å; Q479-L481 PolarHBondContact O-N 2.92Å; Q479-N482 PolarHBondContact O-N 2.64Å
480L96Very high93.8Very high11 Ų1135.3 Ų35.36%0.05819%0.192CC..Hα-helixtrans-73.4-21.4-179.8-68.7169.1000114.3I358 L362 P363 A476 T477 F478 N482 N483 T488 A492I358-L480 HydrophobicContact CG2-CD1 3.9Å; L362-L480 HydrophobicContact CB-CD1 3.79Å; L362-L480 HydrophobicContact CD1-CD1 3.79Å; L362-L480 HydrophobicContact CG-CD1 4.27Å; P363-L480 HydrophobicContact CG-CD2 3.86Å; A476-L480 WeakPolarHBondContact O-CD1 3.28Å; A476-L480 VanDerWaalsContact O-CG 3.25Å; A476-L480 WeakPolarHBondContact O-CG 3.42Å; A476-L480 PolarHBondContact O-N 2.93Å; T477-L480 CarbonylContact O-C 3.57Å; T477-L480 WeakPolarHBondContact O-CA 3.04Å; T477-L480 PolarHBondContact O-N 3.3Å; F478-L480 VanDerWaalsContact C-N 3.33Å; L480-N482 PolarHBondContact O-N 3.13Å; L480-N482 VanDerWaalsContact O-N 3.16Å; L480-N483 WeakPolarHBondContact O-CB 3.36Å; L480-N483 PolarHBondContact O-N 2.66Å; L480-T488 HydrophobicContact CB-CG2 4.41Å; L480-T488 HydrophobicContact CD2-CG2 4.01Å; L480-A492 HydrophobicContact CB-CB 3.74Å
481L96.9Very high94.2Very high2 Ų235.6 Ų35.61%0.0120%0.195CC..THydrogen-bonded Turntrans-60.4-20.9170.5-68.4176.4000112.7T477 F478 Q479 R489 A492 L493 I496 M518 L521T477-L481 WeakPolarHBondContact O-CG 3.17Å; T477-L481 PolarHBondContact O-N 3.46Å; F478-L481 HydrophobicContact CD1-CD1 3.98Å; F478-L481 PolarHBondContact O-N 2.88Å; Q479-L481 PolarHBondContact O-N 2.92Å; L481-R489 WeakPolarHBondContact O-CD 3.29Å; L481-R489 VanDerWaalsContact O-CG 3.31Å; L481-R489 WeakPolarHBondContact O-CG 3.32Å; L481-A492 HydrophobicContact CD2-CB 4.01Å; L481-A492 HydrophobicContact CG-CB 4.43Å; L481-L493 HydrophobicContact CD2-CB 3.99Å; L481-L493 HydrophobicContact CD2-CD1 4.35Å; L481-I496 HydrophobicContact CD1-CD1 3.84Å; L481-I496 HydrophobicContact CG-CD1 4.46Å; L481-M518 HydrophobicContact CD1-CE 4.33Å; L481-L521 HydrophobicContact CD1-CD1 4.06Å; L481-L521 HydrophobicContact CD2-CD1 3.97Å; L481-L521 HydrophobicContact CG-CD1 4.48Å
482N92.3Very high94.5Very high74 Ų7431 Ų3140%0.39617%0.17SC..THydrogen-bonded Turntrans-94.18.7177.8-66.9-64.8000113.6F478 Q479 L480 K520F478-N482 PolarHBondContact O-ND2 2.9Å; Q479-N482 PolarHBondContact O-N 2.64Å; L480-N482 PolarHBondContact O-N 3.13Å; L480-N482 VanDerWaalsContact O-N 3.16Å; N482-K520 PolarHBondContact OD1-NZ 3.47Å
483N90.1Very high94.8Very high32 Ų3229.9 Ų29.917%0.17116%0.161CC..  trans-70.9154.4179.7-165.4-81.4000112.1L480 S485 T488 R489L480-N483 WeakPolarHBondContact O-CB 3.36Å; L480-N483 PolarHBondContact O-N 2.66Å; N483-S485 VanDerWaalsContact C-N 3.35Å; N483-S485 WeakPolarHBondContact OD1-CB 3.31Å; N483-S485 PolarHBondContact OD1-N 3.14Å; N483-T488 HydrophobicContact CB-CG2 3.74Å; N483-R489 HydrophobicContact CB-CG 4.19Å; N483-R489 WeakPolarHBondContact O-CD 3.33Å; N483-R489 WeakPolarHBondContact O-CG 3.35Å; N483-R489 PolarHBondContact O-NE 2.96Å
484S89.4Confident94.9Very high122 Ų12234.4 Ų34.485%0.85318%0.178SC*.SBendtrans-72.7-26178.557.50000113.6
485S89.2Confident95Very high17 Ų1734.4 Ų34.412%0.11918%0.178CC..  trans-80.4124.6178.9178.90000111.5F365 N483 F487 T488 R489F365-S485 PolarHBondContact O-OG 2.87Å; N483-S485 VanDerWaalsContact C-N 3.35Å; N483-S485 WeakPolarHBondContact OD1-CB 3.31Å; N483-S485 PolarHBondContact OD1-N 3.14Å; S485-F487 VanDerWaalsContact C-N 3.28Å; S485-F487 PolarHBondContact O-N 3.15Å; S485-F487 PolarHBondContact OG-N 3.23Å; S485-T488 WeakPolarHBondContact CB-OG1 3.48Å; S485-T488 PolarHBondContact O-N 3.37Å; S485-R489 WeakPolarHBondContact O-CG 3.44Å; S485-R489 PolarHBondContact O-N 3.18Å; S485-R489 VanDerWaalsContact O-N 3.12Å
486L93.1Very high95Very high46 Ų4631.5 Ų31.524%0.24116%0.164CC..Hα-helixtrans-55.7-43.5172.7177.658000111.6T488 R489 L490 A526 M529L486-T488 PolarHBondContact O-N 2.87Å; L486-R489 PolarHBondContact O-N 3.47Å; L486-L490 HydrophobicContact CD1-CD1 4.02Å; L486-L490 HydrophobicContact CD1-CG 3.99Å; L486-L490 HydrophobicContact CG-CD1 3.91Å; L486-L490 HydrophobicContact CG-CG 4.33Å; L486-L490 WeakPolarHBondContact O-CB 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 3.24Å; L486-A526 HydrophobicContact CD1-CB 3.5Å; L486-A526 VanDerWaalsContact CD1-CB 3.5Å; L486-A526 HydrophobicContact CD2-CB 3.87Å; L486-A526 HydrophobicContact CG-CB 4.29Å; L486-M529 HydrophobicContact CD1-CB 4.11Å; L486-M529 HydrophobicContact CD1-CE 4.44Å
487F92.6Very high95Very high111 Ų11132 Ų3249%0.48717%0.167SC..Hα-helixtrans-65.4-39.9-178.7-61.9-64.1000112.5F365 S485 L490 A491F365-F487 HydrophobicContact CB-CB 4.01Å; F365-F487 HydrophobicContact CD1-CB 4.41Å; S485-F487 VanDerWaalsContact C-N 3.28Å; S485-F487 PolarHBondContact O-N 3.15Å; S485-F487 PolarHBondContact OG-N 3.23Å; F487-L490 PolarHBondContact O-N 3.11Å; F487-A491 WeakPolarHBondContact O-CB 3.15Å; F487-A491 PolarHBondContact O-N 3.23Å
488T94.8Very high94.9Very high0 Ų032 Ų320%017%0.167CC..Hα-helixtrans-62.7-44.9175.6-61.50000110.9L362 F365 L480 N483 S485 L486 A491 A492L362-T488 HydrophobicContact CB-CG2 4.27Å; L362-T488 WeakPolarHBondContact O-CG2 3.3Å; L362-T488 PolarHBondContact O-OG1 3.05Å; F365-T488 PolarHBondContact O-OG1 3.31Å; L480-T488 HydrophobicContact CB-CG2 4.41Å; L480-T488 HydrophobicContact CD2-CG2 4.01Å; N483-T488 HydrophobicContact CB-CG2 3.74Å; S485-T488 WeakPolarHBondContact CB-OG1 3.48Å; S485-T488 PolarHBondContact O-N 3.37Å; L486-T488 PolarHBondContact O-N 2.87Å; T488-A491 PolarHBondContact O-N 3.24Å; T488-A492 WeakPolarHBondContact O-CB 3.5Å; T488-A492 PolarHBondContact O-N 3.01Å
489R96.9Very high94.7Very high32 Ų3232 Ų3212%0.12117%0.167CC..Hα-helixtrans-65.7-44.3178.7-61.8-173.7-70.9177.619.9111.8L481 N483 S485 L486 A491 A492 L493 D524 M529L481-R489 WeakPolarHBondContact O-CD 3.29Å; L481-R489 VanDerWaalsContact O-CG 3.31Å; L481-R489 WeakPolarHBondContact O-CG 3.32Å; N483-R489 HydrophobicContact CB-CG 4.19Å; N483-R489 WeakPolarHBondContact O-CD 3.33Å; N483-R489 WeakPolarHBondContact O-CG 3.35Å; N483-R489 PolarHBondContact O-NE 2.96Å; S485-R489 WeakPolarHBondContact O-CG 3.44Å; S485-R489 PolarHBondContact O-N 3.18Å; S485-R489 VanDerWaalsContact O-N 3.12Å; L486-R489 PolarHBondContact O-N 3.47Å; R489-A491 VanDerWaalsContact C-N 3.3Å; R489-A491 PolarHBondContact O-N 3.47Å; R489-A492 PolarHBondContact O-N 3.18Å; R489-L493 PolarHBondContact O-N 3.25Å; R489-D524 IonicContact CZ-OD1 3.9Å; R489-D524 IonicContact CZ-OD2 3.79Å; R489-D524 IonicContact NE-OD2 2.58Å; R489-D524 IonicContact NH1-OD1 2.67Å; R489-D524 IonicContact NH1-OD2 2.82Å; R489-D524 PolarHBondContact NH1-OD2 2.61Å; R489-D524 IonicContact NH2-OD1 2.9Å; R489-D524 PolarHBondContact NH2-OD1 3.22Å; R489-D524 IonicContact NH2-OD2 3.13Å; R489-D524 PolarHBondContact NH2-OD2 3.31Å; R489-M529 VanDerWaalsContact C-CE 3.47Å; R489-M529 HydrophobicContact CB-CE 3.17Å; R489-M529 HydrophobicContact CG-CE 4.39Å
490L97.1Very high94.5Very high41 Ų4129.4 Ų29.422%0.21516%0.155CC..Hα-helixtrans-61.1-40.4176.9-75.4174.2000111.4L486 F487 L493 R494 E528 M529L486-L490 HydrophobicContact CD1-CD1 4.02Å; L486-L490 HydrophobicContact CD1-CG 3.99Å; L486-L490 HydrophobicContact CG-CD1 3.91Å; L486-L490 HydrophobicContact CG-CG 4.33Å; L486-L490 WeakPolarHBondContact O-CB 3.28Å; L486-L490 WeakPolarHBondContact O-CG 3.18Å; L486-L490 PolarHBondContact O-N 3.24Å; F487-L490 PolarHBondContact O-N 3.11Å; L490-L493 PolarHBondContact O-N 2.93Å; L490-R494 VanDerWaalsContact O-CB 3.29Å; L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 PolarHBondContact O-N 2.89Å; L490-E528 HydrophobicContact CD1-CB 4.49Å; L490-M529 HydrophobicContact CD2-CB 4.47Å; L490-M529 HydrophobicContact CD2-CE 3.94Å; L490-M529 HydrophobicContact CD2-SD 4.15Å; L490-M529 HydrophobicContact CG-CE 4.08Å
491A96.9Very high94.2Very high8 Ų832.4 Ų32.47%0.06617%0.169CC..Hα-helixtrans-65-42175.400000112L362 F365 F487 T488 R489 R494 W495L362-A491 HydrophobicContact CD1-CB 4.13Å; L362-A491 HydrophobicContact CD2-CB 3.56Å; L362-A491 HydrophobicContact CG-CB 4.46Å; F365-A491 HydrophobicContact CD1-CB 3.68Å; F365-A491 HydrophobicContact CE1-CB 3.51Å; F365-A491 HydrophobicContact CZ-CB 4.33Å; F487-A491 WeakPolarHBondContact O-CB 3.15Å; F487-A491 PolarHBondContact O-N 3.23Å; T488-A491 PolarHBondContact O-N 3.24Å; R489-A491 VanDerWaalsContact C-N 3.3Å; R489-A491 PolarHBondContact O-N 3.47Å; A491-R494 WeakPolarHBondContact O-CB 3.5Å; A491-R494 PolarHBondContact O-N 2.91Å; A491-W495 VanDerWaalsContact O-CD1 3.3Å; A491-W495 PolarHBondContact O-N 2.95Å
492A98.2Very high93.8Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-62.2-44174.900000112.1L362 L480 L481 T488 R489 R494 W495 I496L362-A492 HydrophobicContact CD1-CB 4.27Å; L480-A492 HydrophobicContact CB-CB 3.74Å; L481-A492 HydrophobicContact CD2-CB 4.01Å; L481-A492 HydrophobicContact CG-CB 4.43Å; T488-A492 WeakPolarHBondContact O-CB 3.5Å; T488-A492 PolarHBondContact O-N 3.01Å; R489-A492 PolarHBondContact O-N 3.18Å; A492-R494 VanDerWaalsContact C-N 3.29Å; A492-R494 PolarHBondContact O-N 3.21Å; A492-W495 WeakPolarHBondContact O-CB 3.32Å; A492-W495 PolarHBondContact O-N 3.48Å; A492-I496 PolarHBondContact O-N 2.65Å
493L98.3Very high93.6Very high3 Ų331.1 Ų31.12%0.01616%0.164CC..Hα-helixtrans-63.2-37.3175.1-17268.6000112L481 R489 L490 W495 I496 T497 M518 L521 M529 L536L481-L493 HydrophobicContact CD2-CB 3.99Å; L481-L493 HydrophobicContact CD2-CD1 4.35Å; R489-L493 PolarHBondContact O-N 3.25Å; L490-L493 PolarHBondContact O-N 2.93Å; L493-W495 VanDerWaalsContact C-N 3.32Å; L493-W495 PolarHBondContact O-N 3.3Å; L493-I496 PolarHBondContact O-N 3.39Å; L493-T497 PolarHBondContact O-N 2.65Å; L493-T497 PolarHBondContact O-OG1 3.41Å; L493-M518 HydrophobicContact CD1-CE 3.68Å; L493-M518 HydrophobicContact CD1-SD 3.96Å; L493-L521 HydrophobicContact CD1-CD1 3.94Å; L493-M529 HydrophobicContact CD2-SD 3.73Å; L493-L536 HydrophobicContact CD1-CD2 3.58Å; L493-L536 HydrophobicContact CG-CD2 4.26Å
494R97.2Very high93.5Very high96 Ų9631 Ų3136%0.36217%0.166SC..Hα-helixtrans-64.3-36.7175.5-174.4173171.7-165.5-13.4111.9E389 L392 L490 A491 A492 T497 V498E389-R494 VanDerWaalsContact CD-NH2 3.27Å; E389-R494 IonicContact OE1-CZ 2.77Å; E389-R494 IonicContact OE1-NH1 3.19Å; E389-R494 PolarHBondContact OE1-NH1 2.96Å; E389-R494 IonicContact OE1-NH2 2.86Å; E389-R494 PolarHBondContact OE1-NH2 3.42Å; E389-R494 VanDerWaalsContact OE1-NH2 3.11Å; E389-R494 IonicContact OE2-CZ 2.77Å; E389-R494 IonicContact OE2-NH1 3.67Å; E389-R494 IonicContact OE2-NH2 3.39Å; E389-R494 PolarHBondContact OE2-NH2 3.39Å; L392-R494 HydrophobicContact CD1-CG 4.31Å; L490-R494 VanDerWaalsContact O-CB 3.29Å; L490-R494 WeakPolarHBondContact O-CB 3.49Å; L490-R494 PolarHBondContact O-N 2.89Å; A491-R494 WeakPolarHBondContact O-CB 3.5Å; A491-R494 PolarHBondContact O-N 2.91Å; A492-R494 VanDerWaalsContact C-N 3.29Å; A492-R494 PolarHBondContact O-N 3.21Å; R494-T497 WeakPolarHBondContact O-CB 3.39Å; R494-T497 PolarHBondContact O-N 2.76Å; R494-V498 WeakPolarHBondContact O-CG2 3.46Å; R494-V498 PolarHBondContact O-N 2.88Å
495W97.7Very high93.2Very high0 Ų028.2 Ų28.20%015%0.151CC..Hα-helixtrans-59.8-47.5170.9-88.595.4000112.3I358 N388 L391 L392 V395 I473 T477 A491 A492 L493 T497 V498 L499I358-W495 HydrophobicContact CD1-CD2 3.57Å; I358-W495 VanDerWaalsContact CD1-CE2 3.47Å; I358-W495 HydrophobicContact CD1-CE3 3.68Å; I358-W495 HydrophobicContact CD1-CG 4.31Å; I358-W495 HydrophobicContact CD1-CH2 3.64Å; I358-W495 HydrophobicContact CD1-CZ2 3.53Å; I358-W495 HydrophobicContact CD1-CZ3 3.69Å; I358-W495 HydrophobicContact CG1-CD2 4.23Å; I358-W495 HydrophobicContact CG1-CH2 4.18Å; I358-W495 HydrophobicContact CG1-CZ2 3.64Å; N388-W495 PolarHBondContact OD1-NE1 3.47Å; L391-W495 HydrophobicContact CB-CH2 3.84Å; L391-W495 HydrophobicContact CB-CZ2 3.85Å; L391-W495 HydrophobicContact CD1-CZ2 4.47Å; L392-W495 HydrophobicContact CD2-CD2 3.47Å; L392-W495 VanDerWaalsContact CD2-CD2 3.47Å; L392-W495 HydrophobicContact CD2-CE3 3.66Å; L392-W495 HydrophobicContact CD2-CG 3.97Å; L392-W495 HydrophobicContact CD2-CH2 4.07Å; L392-W495 HydrophobicContact CD2-CZ2 3.89Å; L392-W495 HydrophobicContact CD2-CZ3 3.97Å; L392-W495 HydrophobicContact CG-CD2 4.28Å; L392-W495 HydrophobicContact CG-CH2 4.36Å; L392-W495 HydrophobicContact CG-CZ2 3.91Å; V395-W495 HydrophobicContact CG2-CH2 4.23Å; V395-W495 HydrophobicContact CG2-CZ3 3.92Å; I473-W495 HydrophobicContact CG2-CE3 4.01Å; I473-W495 HydrophobicContact CG2-CZ3 4.46Å; T477-W495 HydrophobicContact CG2-CB 3.56Å; T477-W495 HydrophobicContact CG2-CG 4.1Å; A491-W495 VanDerWaalsContact O-CD1 3.3Å; A491-W495 PolarHBondContact O-N 2.95Å; A492-W495 WeakPolarHBondContact O-CB 3.32Å; A492-W495 PolarHBondContact O-N 3.48Å; L493-W495 VanDerWaalsContact C-N 3.32Å; L493-W495 PolarHBondContact O-N 3.3Å; W495-T497 PolarHBondContact O-N 2.74Å; W495-V498 PolarHBondContact O-N 2.9Å; W495-L499 WeakPolarHBondContact O-CB 3.49Å; W495-L499 WeakPolarHBondContact O-CG 3.16Å; W495-L499 PolarHBondContact O-N 2.88Å
496I96.1Very high93.1Very high0 Ų030.1 Ų30.10%016%0.159CC..Hα-helixtrans-58.6-39.9176-59.5170.9000110.4L474 F478 L481 A492 L493 L499 A500 L514 L536L474-I496 HydrophobicContact CD2-CG1 4.24Å; F478-I496 HydrophobicContact CD1-CD1 4.02Å; F478-I496 HydrophobicContact CE1-CD1 3.85Å; L481-I496 HydrophobicContact CD1-CD1 3.84Å; L481-I496 HydrophobicContact CG-CD1 4.46Å; A492-I496 PolarHBondContact O-N 2.65Å; L493-I496 PolarHBondContact O-N 3.39Å; I496-L499 PolarHBondContact O-N 2.76Å; I496-A500 WeakPolarHBondContact O-CB 3.49Å; I496-A500 PolarHBondContact O-N 3.2Å; I496-L514 HydrophobicContact CG2-CD1 3.86Å; I496-L536 HydrophobicContact CB-CD2 4.21Å; I496-L536 HydrophobicContact CG2-CD2 3.78Å
497T94.6Very high93Very high19 Ų1928 Ų2812%0.11715%0.148CC..Hα-helixtrans-61.3-47.4176.5-53.90000112.3L493 R494 W495 A500 E501 L536 K539L493-T497 PolarHBondContact O-N 2.65Å; L493-T497 PolarHBondContact O-OG1 3.41Å; R494-T497 WeakPolarHBondContact O-CB 3.39Å; R494-T497 PolarHBondContact O-N 2.76Å; W495-T497 PolarHBondContact O-N 2.74Å; T497-A500 PolarHBondContact O-N 3.27Å; T497-E501 WeakPolarHBondContact O-CG 3.47Å; T497-E501 PolarHBondContact O-N 3.06Å; T497-E501 VanDerWaalsContact O-N 3.11Å; T497-L536 HydrophobicContact CG2-CD1 4.21Å; T497-K539 HydrophobicContact CG2-CD 3.89Å
498V94.3Very high92.7Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-69-38.7179.1176.20000111.7L392 V395 R396 R494 W495 A500 E501 V502L392-V498 HydrophobicContact CD2-CB 3.86Å; L392-V498 HydrophobicContact CD2-CG1 4.09Å; L392-V498 HydrophobicContact CD2-CG2 3.81Å; V395-V498 HydrophobicContact CG1-CG1 4.34Å; R396-V498 HydrophobicContact CG-CG1 3.77Å; R396-V498 VanDerWaalsContact NH2-CG2 3.34Å; R494-V498 WeakPolarHBondContact O-CG2 3.46Å; R494-V498 PolarHBondContact O-N 2.88Å; W495-V498 PolarHBondContact O-N 2.9Å; V498-A500 VanDerWaalsContact C-N 3.31Å; V498-A500 PolarHBondContact O-N 3.12Å; V498-E501 WeakPolarHBondContact O-CB 3.43Å; V498-E501 PolarHBondContact O-N 2.92Å; V498-V502 HydrophobicContact CG1-CG2 4.39Å; V498-V502 WeakPolarHBondContact O-CG2 3.15Å; V498-V502 PolarHBondContact O-N 2.93Å
499L92.8Very high92.4Very high0 Ų026.4 Ų26.40%015%0.148CC..Hα-helixtrans-63.9-38.6174.6-69.5173.1000111.4V395 L468 T470 I473 L474 W495 I496 E501 V502 C503 V507V395-L499 HydrophobicContact CG1-CD2 4.46Å; L468-L499 HydrophobicContact CD2-CD2 3.91Å; T470-L499 HydrophobicContact CG2-CD1 4.46Å; T470-L499 HydrophobicContact CG2-CD2 4.47Å; I473-L499 HydrophobicContact CB-CD1 4.25Å; I473-L499 HydrophobicContact CG2-CD1 3.69Å; L474-L499 HydrophobicContact CD2-CD1 3.91Å; L474-L499 HydrophobicContact CG-CD1 4.21Å; W495-L499 WeakPolarHBondContact O-CB 3.49Å; W495-L499 WeakPolarHBondContact O-CG 3.16Å; W495-L499 PolarHBondContact O-N 2.88Å; I496-L499 PolarHBondContact O-N 2.76Å; L499-E501 VanDerWaalsContact C-N 3.3Å; L499-E501 PolarHBondContact O-N 3.43Å; L499-V502 PolarHBondContact O-N 3.07Å; L499-C503 CarbonylContact O-C 3.19Å; L499-C503 WeakPolarHBondContact O-CA 3.49Å; L499-C503 PolarHBondContact O-N 3.35Å; L499-C503 PolarHBondContact O-SG 3.03Å; L499-V507 HydrophobicContact CB-CG2 3.74Å
500A90.2Very high92Very high3 Ų327 Ų273%0.02515%0.152CC..Hα-helixtrans-64.4-35.7175.300000112.3I496 T497 V498 S504 V507 L536 L540I496-A500 WeakPolarHBondContact O-CB 3.49Å; I496-A500 PolarHBondContact O-N 3.2Å; T497-A500 PolarHBondContact O-N 3.27Å; V498-A500 VanDerWaalsContact C-N 3.31Å; V498-A500 PolarHBondContact O-N 3.12Å; A500-S504 WeakPolarHBondContact O-CA 3.38Å; A500-S504 VanDerWaalsContact O-CB 3.31Å; A500-S504 WeakPolarHBondContact O-CB 3.47Å; A500-V507 HydrophobicContact CB-CG1 4.39Å; A500-L536 HydrophobicContact CB-CD1 4.46Å; A500-L540 HydrophobicContact CB-CD2 3.59Å
501E89.7Confident91.5Very high75 Ų7525.5 Ų25.535%0.3515%0.145SC..Hα-helixtrans-67.6-34.6175-71.3167.1-174.800112.2R396 T497 V498 L499 K539R396-E501 IonicContact CZ-OE2 2.73Å; R396-E501 IonicContact NE-OE2 3.75Å; R396-E501 IonicContact NH2-OE2 2.67Å; R396-E501 PolarHBondContact NH2-OE2 3.14Å; T497-E501 WeakPolarHBondContact O-CG 3.47Å; T497-E501 PolarHBondContact O-N 3.06Å; T497-E501 VanDerWaalsContact O-N 3.11Å; V498-E501 WeakPolarHBondContact O-CB 3.43Å; V498-E501 PolarHBondContact O-N 2.92Å; L499-E501 VanDerWaalsContact C-N 3.3Å; L499-E501 PolarHBondContact O-N 3.43Å; E501-K539 IonicContact OE1-NZ 3.64Å; E501-K539 PolarHBondContact OE1-NZ 3.31Å
502V88.7Confident91.1Very high26 Ų2628.8 Ų28.816%0.15816%0.161CC..Hα-helixtrans-98.3-47.4-170.4173.90000113.1V395 R396 N399 V498 L499V395-V502 HydrophobicContact CG1-CB 4.47Å; V395-V502 HydrophobicContact CG1-CG1 4.3Å; V395-V502 HydrophobicContact CG1-CG2 4.32Å; R396-V502 HydrophobicContact CG-CG2 4.25Å; N399-V502 HydrophobicContact CB-CG1 3.77Å; N399-V502 PolarHBondContact ND2-O 3.26Å; V498-V502 HydrophobicContact CG1-CG2 4.39Å; V498-V502 WeakPolarHBondContact O-CG2 3.15Å; V498-V502 PolarHBondContact O-N 2.93Å; L499-V502 PolarHBondContact O-N 3.07Å
503C87.3Confident90.7Very high22 Ų2233 Ų3315%0.14918%0.177CC..  trans-130.156.4-175.157.50000110.5L499 A505 D506 V507L499-C503 CarbonylContact O-C 3.19Å; L499-C503 WeakPolarHBondContact O-CA 3.49Å; L499-C503 PolarHBondContact O-N 3.35Å; L499-C503 PolarHBondContact O-SG 3.03Å; C503-A505 VanDerWaalsContact C-N 3.27Å; C503-A505 PolarHBondContact O-N 3.32Å; C503-D506 HydrophobicContact CB-CB 4.41Å; C503-D506 PolarHBondContact O-N 3.48Å; C503-D506 VanDerWaalsContact O-N 3.1Å; C503-V507 PolarHBondContact O-N 2.96Å
504S87.6Confident90.4Very high29 Ų2932.8 Ų32.820%0.20318%0.176CC..Hα-helixtrans-49.8-44.1-176.560.80000113.3A500 D506 V507 F508A500-S504 WeakPolarHBondContact O-CA 3.38Å; A500-S504 VanDerWaalsContact O-CB 3.31Å; A500-S504 WeakPolarHBondContact O-CB 3.47Å; S504-D506 VanDerWaalsContact C-N 3.33Å; S504-D506 PolarHBondContact O-N 3.49Å; S504-V507 PolarHBondContact O-N 3.31Å; S504-V507 VanDerWaalsContact O-N 3.11Å; S504-F508 WeakPolarHBondContact O-CD2 3.47Å; S504-F508 PolarHBondContact O-N 3.29Å
505A84.7Confident90.1Very high65 Ų6528.6 Ų28.654%0.53716%0.161SC..Hα-helixtrans-55.8-42.8-18000000113.3C503 F508 S509C503-A505 VanDerWaalsContact C-N 3.27Å; C503-A505 PolarHBondContact O-N 3.32Å; A505-F508 PolarHBondContact O-N 3.16Å; A505-S509 PolarHBondContact O-N 3.28Å
506D86.9Confident89.9Confident56 Ų5632.1 Ų32.130%0.29918%0.183SC..Hα-helixtrans-71.3-32.7178.7-61.1-18.8000111.9T470 C503 S504 S509 H510T470-D506 HydrophobicContact CG2-CB 3.62Å; T470-D506 PolarHBondContact OG1-OD2 3.17Å; C503-D506 HydrophobicContact CB-CB 4.41Å; C503-D506 PolarHBondContact O-N 3.48Å; C503-D506 VanDerWaalsContact O-N 3.1Å; S504-D506 VanDerWaalsContact C-N 3.33Å; S504-D506 PolarHBondContact O-N 3.49Å; D506-S509 PolarHBondContact O-N 3.05Å; D506-S509 PolarHBondContact O-OG 3.19Å; D506-H510 PolarHBondContact O-ND1 3.23Å
507V89.6Confident89.8Confident1 Ų133.7 Ų33.71%0.00619%0.191CC..Hα-helixtrans-70.4-40.6174.1178.50000110.7L474 L499 A500 C503 S504 S509 H510 L514L474-V507 HydrophobicContact CD1-CG2 4.41Å; L474-V507 HydrophobicContact CD2-CG2 4.49Å; L499-V507 HydrophobicContact CB-CG2 3.74Å; A500-V507 HydrophobicContact CB-CG1 4.39Å; C503-V507 PolarHBondContact O-N 2.96Å; S504-V507 PolarHBondContact O-N 3.31Å; S504-V507 VanDerWaalsContact O-N 3.11Å; V507-S509 VanDerWaalsContact C-N 3.28Å; V507-S509 PolarHBondContact O-N 3.46Å; V507-H510 PolarHBondContact O-N 3.26Å; V507-L514 HydrophobicContact CG1-CD2 3.85Å
508F87.5Confident89.8Confident26 Ų2632.8 Ų32.811%0.11419%0.185CC..Hα-helixtrans-70.8-21176.5-80.8-73.9000113.2S504 A505 H510 V511 L540 H543 T545 F604S504-F508 WeakPolarHBondContact O-CD2 3.47Å; S504-F508 PolarHBondContact O-N 3.29Å; A505-F508 PolarHBondContact O-N 3.16Å; F508-H510 PolarHBondContact O-N 3.46Å; F508-V511 WeakPolarHBondContact O-CB 3.37Å; F508-V511 WeakPolarHBondContact O-CG1 2.99Å; F508-V511 PolarHBondContact O-N 3.39Å; F508-L540 HydrophobicContact CE2-CD2 4.03Å; F508-L540 HydrophobicContact CZ-CB 4.14Å; F508-L540 HydrophobicContact CZ-CD2 3.85Å; F508-H543 HydrophobicContact CE2-CB 3.81Å; F508-H543 HydrophobicContact CZ-CB 4.19Å; F508-T545 HydrophobicContact CD2-CG2 3.47Å; F508-T545 VanDerWaalsContact CD2-CG2 3.47Å; F508-T545 HydrophobicContact CE2-CG2 3.92Å; F508-T545 HydrophobicContact CG-CG2 4.2Å; F508-F604 HydrophobicContact CE1-CB 4.41Å; F508-F604 HydrophobicContact CE1-CD2 4.15Å; F508-F604 HydrophobicContact CE1-CG 4.19Å
509S87.7Confident89.8Confident53 Ų5334.3 Ų34.337%0.37119%0.193SC..THydrogen-bonded Turntrans-65.9-18.2168.878.60000112.5A505 D506 V507 N553A505-S509 PolarHBondContact O-N 3.28Å; D506-S509 PolarHBondContact O-N 3.05Å; D506-S509 PolarHBondContact O-OG 3.19Å; V507-S509 VanDerWaalsContact C-N 3.28Å; V507-S509 PolarHBondContact O-N 3.46Å; S509-N553 PolarHBondContact O-ND2 2.96Å
510H89Confident90Very high44 Ų4439.4 Ų39.420%0.20422%0.215CC..THydrogen-bonded Turntrans-102.817.2175.7-65.778.3000113.4D471 L474 F478 D506 V507 F508 D512 R513 L514D471-H510 IonicContact OD1-CE1 3.38Å; D471-H510 PolarHBondContact OD1-CE1 3.32Å; D471-H510 IonicContact OD1-NE2 3.67Å; D471-H510 PolarHBondContact OD1-NE2 2.7Å; L474-H510 HydrophobicContact CD1-CB 4.14Å; L474-H510 WeakPolarHBondContact CD1-ND1 2.97Å; F478-H510 HydrophobicContact CE2-CB 4.36Å; D506-H510 PolarHBondContact O-ND1 3.23Å; V507-H510 PolarHBondContact O-N 3.26Å; F508-H510 PolarHBondContact O-N 3.46Å; H510-D512 PolarHBondContact O-N 3.08Å; H510-D512 VanDerWaalsContact O-N 3.14Å; H510-R513 PolarHBondContact O-N 2.47Å; H510-L514 WeakPolarHBondContact O-CB 3.28Å; H510-L514 PolarHBondContact O-N 3.3Å
511V86.8Confident90.3Very high10 Ų1039.5 Ų39.56%0.06122%0.216CC..Hα-helixtrans-55.3-34.5-175.869.10000113.1F508 R513 L514 L515 V557 F604F508-V511 WeakPolarHBondContact O-CB 3.37Å; F508-V511 WeakPolarHBondContact O-CG1 2.99Å; F508-V511 PolarHBondContact O-N 3.39Å; V511-R513 PolarHBondContact O-N 3.32Å; V511-L514 PolarHBondContact O-N 2.89Å; V511-L515 WeakPolarHBondContact O-CB 3.41Å; V511-L515 PolarHBondContact O-N 3.15Å; V511-V557 HydrophobicContact CB-CG2 4.31Å; V511-V557 HydrophobicContact CG1-CG2 3.53Å; V511-V557 HydrophobicContact CG2-CG2 3.78Å; V511-F604 HydrophobicContact CG2-CD2 3.88Å; V511-F604 HydrophobicContact CG2-CE2 4Å
512D87.3Confident90.5Very high76 Ų7636 Ų3641%0.40620%0.199SC..Hα-helixtrans-57.3-33.4179.7-58.614000112.6H510 P516 S556H510-D512 PolarHBondContact O-N 3.08Å; H510-D512 VanDerWaalsContact O-N 3.14Å; D512-P516 WeakPolarHBondContact O-CD 3.31Å; D512-P516 WeakPolarHBondContact O-CG 3.08Å; D512-S556 VanDerWaalsContact CG-CB 3.48Å; D512-S556 VanDerWaalsContact CG-OG 3.25Å; D512-S556 WeakPolarHBondContact OD1-CB 3.35Å; D512-S556 PolarHBondContact OD1-OG 2.74Å
513R91.2Very high90.8Very high88 Ų8837 Ų3733%0.33221%0.207SC..Hα-helixtrans-97.2-36.9176.3-174.9171.8178.8179.3-6.3112.1E475 F478 H510 V511 L515 E517E475-R513 VanDerWaalsContact CD-NH1 3.25Å; E475-R513 IonicContact OE1-CZ 2.64Å; E475-R513 IonicContact OE1-NH1 3.3Å; E475-R513 PolarHBondContact OE1-NH1 2.95Å; E475-R513 IonicContact OE1-NH2 2.98Å; E475-R513 PolarHBondContact OE1-NH2 3.1Å; E475-R513 IonicContact OE2-CZ 2.7Å; E475-R513 IonicContact OE2-NH1 3.93Å; E475-R513 PolarHBondContact OE2-NH1 3.01Å; E475-R513 IonicContact OE2-NH2 3.11Å; F478-R513 HydrophobicContact CD2-CG 4.2Å; F478-R513 HydrophobicContact CE2-CB 4.48Å; F478-R513 HydrophobicContact CE2-CG 4.23Å; H510-R513 PolarHBondContact O-N 2.47Å; V511-R513 PolarHBondContact O-N 3.32Å; R513-L515 PolarHBondContact O-N 3.3Å; R513-E517 HydrophobicContact CG-CG 4.36Å; R513-E517 WeakPolarHBondContact O-CB 3.33Å; R513-E517 WeakPolarHBondContact O-CG 3.47Å; R513-E517 PolarHBondContact O-N 3.35Å
514L92.2Very high91.2Very high0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-59.9-48.3-179.2-179.363.9000111.4F478 I496 V507 H510 V511 E517 M518 L540F478-L514 HydrophobicContact CE1-CD1 3.94Å; F478-L514 HydrophobicContact CZ-CB 4.27Å; F478-L514 HydrophobicContact CZ-CD1 4.27Å; I496-L514 HydrophobicContact CG2-CD1 3.86Å; V507-L514 HydrophobicContact CG1-CD2 3.85Å; H510-L514 WeakPolarHBondContact O-CB 3.28Å; H510-L514 PolarHBondContact O-N 3.3Å; V511-L514 PolarHBondContact O-N 2.89Å; L514-E517 PolarHBondContact O-N 3.35Å; L514-M518 HydrophobicContact CD1-CE 4Å; L514-M518 HydrophobicContact CD1-CG 4.09Å; L514-M518 HydrophobicContact CD1-SD 4.4Å; L514-M518 HydrophobicContact CG-CG 4.27Å; L514-M518 VanDerWaalsContact O-CG 3.28Å; L514-M518 WeakPolarHBondContact O-CG 3.25Å; L514-M518 PolarHBondContact O-N 2.88Å; L514-L540 HydrophobicContact CD2-CD1 3.83Å
515L91.2Very high91.4Very high8 Ų840 Ų404%0.04223%0.225CC..Hα-helixtrans-64.1-49.5-173.8174.968.8000112.8V511 R513 E517 M518 L519 F604 R607 F608 D611V511-L515 WeakPolarHBondContact O-CB 3.41Å; V511-L515 PolarHBondContact O-N 3.15Å; R513-L515 PolarHBondContact O-N 3.3Å; L515-E517 VanDerWaalsContact C-N 3.35Å; L515-E517 PolarHBondContact O-N 3.23Å; L515-M518 PolarHBondContact O-N 3.47Å; L515-L519 PolarHBondContact O-N 3.43Å; L515-F604 HydrophobicContact CB-CE2 4.45Å; L515-F604 HydrophobicContact CD1-CE2 4.13Å; L515-F604 HydrophobicContact CD1-CZ 4.41Å; L515-R607 HydrophobicContact CD2-CG 3.54Å; L515-F608 HydrophobicContact CD1-CB 3.98Å; L515-F608 HydrophobicContact CD1-CD2 3.91Å; L515-F608 HydrophobicContact CD1-CG 4.47Å; L515-D611 WeakPolarHBondContact CD2-OD2 3.3Å
516P92.4Very high91.9Very high74 Ų7437.6 Ų37.648%0.48121%0.205SC..Hα-helixtrans-60.4-38.7173-25.935.3000114D512 L519 K520D512-P516 WeakPolarHBondContact O-CD 3.31Å; D512-P516 WeakPolarHBondContact O-CG 3.08Å; P516-L519 PolarHBondContact O-N 2.9Å; P516-K520 WeakPolarHBondContact O-CB 3.37Å; P516-K520 PolarHBondContact O-N 3.36Å
517E94.3Very high92.4Very high32 Ų3238.5 Ų38.515%0.1521%0.21CC..Hα-helixtrans-66.5-40.5176.7-73-69.3177.600111.5R513 L514 L515 K520 L521R513-E517 HydrophobicContact CG-CG 4.36Å; R513-E517 WeakPolarHBondContact O-CB 3.33Å; R513-E517 WeakPolarHBondContact O-CG 3.47Å; R513-E517 PolarHBondContact O-N 3.35Å; L514-E517 PolarHBondContact O-N 3.35Å; L515-E517 VanDerWaalsContact C-N 3.35Å; L515-E517 PolarHBondContact O-N 3.23Å; E517-K520 WeakPolarHBondContact O-CB 3.35Å; E517-K520 PolarHBondContact O-N 3.4Å; E517-K520 IonicContact OE2-NZ 3.13Å; E517-L521 WeakPolarHBondContact O-CG 3.17Å; E517-L521 PolarHBondContact O-N 2.92Å
518M95.1Very high92.7Very high0 Ų043.6 Ų43.60%023%0.234CC..Hα-helixtrans-62.6-44.1174.1-69.4-54.996.600111.4L481 L493 L514 L515 K520 L521 V522 T533 L536 I537L481-M518 HydrophobicContact CD1-CE 4.33Å; L493-M518 HydrophobicContact CD1-CE 3.68Å; L493-M518 HydrophobicContact CD1-SD 3.96Å; L514-M518 HydrophobicContact CD1-CE 4Å; L514-M518 HydrophobicContact CD1-CG 4.09Å; L514-M518 HydrophobicContact CD1-SD 4.4Å; L514-M518 HydrophobicContact CG-CG 4.27Å; L514-M518 VanDerWaalsContact O-CG 3.28Å; L514-M518 WeakPolarHBondContact O-CG 3.25Å; L514-M518 PolarHBondContact O-N 2.88Å; L515-M518 PolarHBondContact O-N 3.47Å; M518-K520 VanDerWaalsContact C-N 3.28Å; M518-K520 PolarHBondContact O-N 3.39Å; M518-L521 HydrophobicContact CE-CD1 3.61Å; M518-L521 PolarHBondContact O-N 3.14Å; M518-L521 VanDerWaalsContact O-N 3.17Å; M518-V522 WeakPolarHBondContact O-CG2 2.99Å; M518-V522 PolarHBondContact O-N 3.36Å; M518-T533 HydrophobicContact CB-CG2 4.27Å; M518-T533 WeakPolarHBondContact O-CG2 3.32Å; M518-T533 HydrophobicContact SD-CG2 3.8Å; M518-L536 HydrophobicContact CE-CD2 4.47Å; M518-L536 HydrophobicContact SD-CD2 3.77Å; M518-L536 HydrophobicContact SD-CG 4.44Å; M518-I537 HydrophobicContact CB-CD1 4.3Å; M518-I537 HydrophobicContact CB-CG1 4.3Å; M518-I537 HydrophobicContact CG-CG1 4.41Å
519L94.5Very high93.2Very high33 Ų3342.3 Ų42.317%0.17323%0.228CC..Hα-helixtrans-61.2-38.8177-171.767.8000111.7L515 P516 V522 F608 D611 L612 L615L515-L519 PolarHBondContact O-N 3.43Å; P516-L519 PolarHBondContact O-N 2.9Å; L519-V522 PolarHBondContact O-N 2.86Å; L519-F608 HydrophobicContact CD1-CE2 4.44Å; L519-D611 HydrophobicContact CD1-CB 4.45Å; L519-D611 HydrophobicContact CD2-CB 4.04Å; L519-L612 HydrophobicContact CD1-CB 4.49Å; L519-L612 HydrophobicContact CD1-CD1 4.47Å; L519-L615 HydrophobicContact CD1-CB 4.13Å; L519-L615 HydrophobicContact CD1-CD2 3.67Å; L519-L615 HydrophobicContact CG-CD2 3.96Å
520K95.3Very high93.7Very high107 Ų10739.8 Ų39.847%0.46521%0.211SC..Hα-helixtrans-65-41.4174.3-179.8-173176.4-1740112.4N482 P516 E517 M518 V522 S523N482-K520 PolarHBondContact OD1-NZ 3.47Å; P516-K520 WeakPolarHBondContact O-CB 3.37Å; P516-K520 PolarHBondContact O-N 3.36Å; E517-K520 WeakPolarHBondContact O-CB 3.35Å; E517-K520 PolarHBondContact O-N 3.4Å; E517-K520 IonicContact OE2-NZ 3.13Å; M518-K520 VanDerWaalsContact C-N 3.28Å; M518-K520 PolarHBondContact O-N 3.39Å; K520-V522 VanDerWaalsContact C-N 3.29Å; K520-V522 PolarHBondContact O-N 3.31Å; K520-S523 WeakPolarHBondContact O-CB 3.16Å; K520-S523 PolarHBondContact O-N 3.3Å; K520-S523 VanDerWaalsContact O-N 3.08Å
521L96.6Very high94.1Very high5 Ų541.4 Ų41.43%0.02622%0.218CC..Hα-helixtrans-70.8-21.4179.1-70.2177.1000113.6L481 L493 E517 M518 S523 D524 M529 T533L481-L521 HydrophobicContact CD1-CD1 4.06Å; L481-L521 HydrophobicContact CD2-CD1 3.97Å; L481-L521 HydrophobicContact CG-CD1 4.48Å; L493-L521 HydrophobicContact CD1-CD1 3.94Å; E517-L521 WeakPolarHBondContact O-CG 3.17Å; E517-L521 PolarHBondContact O-N 2.92Å; M518-L521 HydrophobicContact CE-CD1 3.61Å; M518-L521 PolarHBondContact O-N 3.14Å; M518-L521 VanDerWaalsContact O-N 3.17Å; L521-S523 PolarHBondContact O-N 3.5Å; L521-D524 WeakPolarHBondContact O-CB 3.33Å; L521-D524 PolarHBondContact O-N 3.21Å; L521-M529 HydrophobicContact CD1-SD 4.32Å; L521-M529 HydrophobicContact CD2-CG 4.11Å; L521-M529 HydrophobicContact CD2-SD 4.13Å; L521-T533 HydrophobicContact CB-CG2 3.7Å; L521-T533 WeakPolarHBondContact CB-OG1 3.16Å; L521-T533 HydrophobicContact CD1-CG2 4.45Å
522V95.7Very high94.6Very high0 Ų043.2 Ų43.20%023%0.231CC..Hα-helixtrans-63.6-25.4168.7171.70000111.6M518 L519 K520 V530 T533 I534 I537 F608 L612 I630M518-V522 WeakPolarHBondContact O-CG2 2.99Å; M518-V522 PolarHBondContact O-N 3.36Å; L519-V522 PolarHBondContact O-N 2.86Å; K520-V522 VanDerWaalsContact C-N 3.29Å; K520-V522 PolarHBondContact O-N 3.31Å; V522-V530 WeakPolarHBondContact O-CG2 3.41Å; V522-T533 HydrophobicContact CG2-CG2 4.13Å; V522-I534 HydrophobicContact CG2-CG1 4.44Å; V522-I537 HydrophobicContact CG2-CD1 4.26Å; V522-F608 HydrophobicContact CG2-CE2 4.39Å; V522-F608 HydrophobicContact CG2-CZ 4.08Å; V522-L612 HydrophobicContact CG1-CD1 4.07Å; V522-I630 HydrophobicContact CG1-CD1 3.58Å; V522-I630 HydrophobicContact CG1-CG1 4.01Å; V522-I630 HydrophobicContact CG1-CG2 4.11Å
523S93.5Very high95.1Very high48 Ų4839.6 Ų39.634%0.33621%0.212SC..THydrogen-bonded Turntrans-94.213.5173.4-55.70000113.5K520 L521 L622K520-S523 WeakPolarHBondContact O-CB 3.16Å; K520-S523 PolarHBondContact O-N 3.3Å; K520-S523 VanDerWaalsContact O-N 3.08Å; L521-S523 PolarHBondContact O-N 3.5Å; S523-L622 WeakPolarHBondContact OG-CD2 3.32Å
524D95.5Very high95.4Very high10 Ų1035.4 Ų35.45%0.05320%0.196CC..  trans-62.8143179.4-163.6-84.8000111.5R489 L521 A526 M529 V530R489-D524 IonicContact CZ-OD1 3.9Å; R489-D524 IonicContact CZ-OD2 3.79Å; R489-D524 IonicContact NE-OD2 2.58Å; R489-D524 IonicContact NH1-OD1 2.67Å; R489-D524 IonicContact NH1-OD2 2.82Å; R489-D524 PolarHBondContact NH1-OD2 2.61Å; R489-D524 IonicContact NH2-OD1 2.9Å; R489-D524 PolarHBondContact NH2-OD1 3.22Å; R489-D524 IonicContact NH2-OD2 3.13Å; R489-D524 PolarHBondContact NH2-OD2 3.31Å; L521-D524 WeakPolarHBondContact O-CB 3.33Å; L521-D524 PolarHBondContact O-N 3.21Å; D524-A526 PolarHBondContact O-N 3.32Å; D524-A526 WeakPolarHBondContact OD1-CB 3.39Å; D524-A526 PolarHBondContact OD1-N 3.23Å; D524-M529 HydrophobicContact CB-CB 3.96Å; D524-M529 HydrophobicContact CB-CG 3.63Å; D524-V530 HydrophobicContact CB-CG2 4.32Å
525P93.2Very high95.6Very high103 Ų10337.9 Ų37.967%0.66921%0.213SC*.SBendtrans-63.2-22.1177.224.1-36.6000114.6R626P525-R626 PolarHBondContact O-NH2 3.45Å
526A94.8Very high95.8Very high15 Ų1537.5 Ų37.512%0.12421%0.211CC..SBendtrans-97.2128.3-179.200000112.2L486 D524 E528 M529 V530L486-A526 HydrophobicContact CD1-CB 3.5Å; L486-A526 VanDerWaalsContact CD1-CB 3.5Å; L486-A526 HydrophobicContact CD2-CB 3.87Å; L486-A526 HydrophobicContact CG-CB 4.29Å; D524-A526 PolarHBondContact O-N 3.32Å; D524-A526 WeakPolarHBondContact OD1-CB 3.39Å; D524-A526 PolarHBondContact OD1-N 3.23Å; A526-E528 VanDerWaalsContact C-N 3.31Å; A526-E528 PolarHBondContact O-N 3.23Å; A526-M529 HydrophobicContact CB-CB 4.31Å; A526-M529 WeakPolarHBondContact O-CB 3.29Å; A526-M529 PolarHBondContact O-N 2.75Å; A526-M529 VanDerWaalsContact O-N 3.17Å; A526-V530 PolarHBondContact O-N 3.25Å
527D96.7Very high95.8Very high75 Ų7534 Ų3440%0.40119%0.189SC..Hα-helixtrans-62-39.9-177.3-61.1-1.1000111.4M529 V530 H531 R626 M629D527-M529 PolarHBondContact O-N 3.45Å; D527-V530 PolarHBondContact O-N 2.78Å; D527-V530 VanDerWaalsContact O-N 3.08Å; D527-H531 PolarHBondContact O-CD2 3.04Å; D527-H531 PolarHBondContact O-N 2.89Å; D527-R626 IonicContact OD1-CZ 2.84Å; D527-R626 IonicContact OD1-NH1 2.59Å; D527-R626 PolarHBondContact OD1-NH1 2.7Å; D527-R626 IonicContact OD1-NH2 2.77Å; D527-R626 PolarHBondContact OD1-NH2 2.88Å; D527-M629 HydrophobicContact CB-SD 4.17Å
528E96Very high95.7Very high108 Ų10832.6 Ų32.651%0.50518%0.182SC..Hα-helixtrans-62.1-33.3179.6-57.187.5164.600112.2L490 A526 S532L490-E528 HydrophobicContact CD1-CB 4.49Å; A526-E528 VanDerWaalsContact C-N 3.31Å; A526-E528 PolarHBondContact O-N 3.23Å; E528-S532 VanDerWaalsContact O-CB 3.29Å; E528-S532 WeakPolarHBondContact O-CB 3.38Å; E528-S532 PolarHBondContact O-N 2.72Å; E528-S532 PolarHBondContact O-OG 3.42Å
529M97.5Very high95.4Very high0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-69.2-43.1174.8178.957.274.900111L486 R489 L490 L493 L521 D524 A526 D527 S532 T533L486-M529 HydrophobicContact CD1-CB 4.11Å; L486-M529 HydrophobicContact CD1-CE 4.44Å; R489-M529 VanDerWaalsContact C-CE 3.47Å; R489-M529 HydrophobicContact CB-CE 3.17Å; R489-M529 HydrophobicContact CG-CE 4.39Å; L490-M529 HydrophobicContact CD2-CB 4.47Å; L490-M529 HydrophobicContact CD2-CE 3.94Å; L490-M529 HydrophobicContact CD2-SD 4.15Å; L490-M529 HydrophobicContact CG-CE 4.08Å; L493-M529 HydrophobicContact CD2-SD 3.73Å; L521-M529 HydrophobicContact CD1-SD 4.32Å; L521-M529 HydrophobicContact CD2-CG 4.11Å; L521-M529 HydrophobicContact CD2-SD 4.13Å; D524-M529 HydrophobicContact CB-CB 3.96Å; D524-M529 HydrophobicContact CB-CG 3.63Å; A526-M529 HydrophobicContact CB-CB 4.31Å; A526-M529 WeakPolarHBondContact O-CB 3.29Å; A526-M529 PolarHBondContact O-N 2.75Å; A526-M529 VanDerWaalsContact O-N 3.17Å; D527-M529 PolarHBondContact O-N 3.45Å; M529-S532 PolarHBondContact O-N 3.25Å; M529-T533 WeakPolarHBondContact O-CB 3.45Å; M529-T533 PolarHBondContact O-N 3.18Å; M529-T533 PolarHBondContact O-OG1 3.44Å
530V97.9Very high95.2Very high0 Ų035 Ų350%019%0.191CC..Hα-helixtrans-62.8-49.6178.8-1790000110.4V522 D524 A526 D527 S532 T533 I534 M629 I630V522-V530 WeakPolarHBondContact O-CG2 3.41Å; D524-V530 HydrophobicContact CB-CG2 4.32Å; A526-V530 PolarHBondContact O-N 3.25Å; D527-V530 PolarHBondContact O-N 2.78Å; D527-V530 VanDerWaalsContact O-N 3.08Å; V530-S532 VanDerWaalsContact C-N 3.32Å; V530-S532 PolarHBondContact O-N 2.93Å; V530-T533 PolarHBondContact O-N 3.03Å; V530-I534 HydrophobicContact CG1-CD1 3.82Å; V530-I534 WeakPolarHBondContact O-CG1 3.33Å; V530-I534 PolarHBondContact O-N 2.93Å; V530-M629 HydrophobicContact CB-CE 3.69Å; V530-M629 HydrophobicContact CG1-CE 3.5Å; V530-M629 HydrophobicContact CG2-CE 4.23Å; V530-I630 HydrophobicContact CG1-CG1 3.87Å
531H98Very high94.8Very high77 Ų7730.4 Ų30.436%0.35617%0.173SC..Hα-helixtrans-55.1-46.5175.2-71.9-58.3000112D527 T533 I534 S535 M629 D633D527-H531 PolarHBondContact O-CD2 3.04Å; D527-H531 PolarHBondContact O-N 2.89Å; H531-T533 VanDerWaalsContact C-N 3.35Å; H531-T533 PolarHBondContact O-N 3.46Å; H531-I534 PolarHBondContact O-N 2.94Å; H531-S535 WeakPolarHBondContact O-CB 3.43Å; H531-S535 PolarHBondContact O-N 3.45Å; H531-M629 WeakPolarHBondContact CE1-CG 3.35Å; H531-M629 VanDerWaalsContact CE1-SD 3.54Å; H531-M629 PolarHBondContact NE2-SD 2.85Å; H531-D633 IonicContact CE1-OD1 3.71Å; H531-D633 IonicContact CE1-OD2 3.44Å; H531-D633 PolarHBondContact CE1-OD2 3Å; H531-D633 IonicContact CG-OD2 3.89Å; H531-D633 VanDerWaalsContact ND1-CG 3.34Å; H531-D633 IonicContact ND1-OD1 2.76Å; H531-D633 PolarHBondContact ND1-OD1 3.35Å; H531-D633 IonicContact ND1-OD2 2.88Å; H531-D633 PolarHBondContact ND1-OD2 3.21Å
532S97.5Very high94.2Very high48 Ų4835.6 Ų35.634%0.33620%0.197SC..Hα-helixtrans-66.3-37.7-179.8-59.60000112.1E528 M529 V530 S535 L536E528-S532 VanDerWaalsContact O-CB 3.29Å; E528-S532 WeakPolarHBondContact O-CB 3.38Å; E528-S532 PolarHBondContact O-N 2.72Å; E528-S532 PolarHBondContact O-OG 3.42Å; M529-S532 PolarHBondContact O-N 3.25Å; V530-S532 VanDerWaalsContact C-N 3.32Å; V530-S532 PolarHBondContact O-N 2.93Å; S532-S535 PolarHBondContact O-N 3.48Å; S532-L536 PolarHBondContact O-N 2.87Å
533T98Very high93.1Very high0 Ų038.5 Ų38.50%021%0.21CC..Hα-helixtrans-65.7-46.8177.8-58.90000110.5M518 L521 V522 M529 V530 H531 S535 L536 I537M518-T533 HydrophobicContact CB-CG2 4.27Å; M518-T533 WeakPolarHBondContact O-CG2 3.32Å; M518-T533 HydrophobicContact SD-CG2 3.8Å; L521-T533 HydrophobicContact CB-CG2 3.7Å; L521-T533 WeakPolarHBondContact CB-OG1 3.16Å; L521-T533 HydrophobicContact CD1-CG2 4.45Å; V522-T533 HydrophobicContact CG2-CG2 4.13Å; M529-T533 WeakPolarHBondContact O-CB 3.45Å; M529-T533 PolarHBondContact O-N 3.18Å; M529-T533 PolarHBondContact O-OG1 3.44Å; V530-T533 PolarHBondContact O-N 3.03Å; H531-T533 VanDerWaalsContact C-N 3.35Å; H531-T533 PolarHBondContact O-N 3.46Å; T533-S535 VanDerWaalsContact C-N 3.33Å; T533-S535 PolarHBondContact O-N 3.18Å; T533-L536 WeakPolarHBondContact O-CB 3.49Å; T533-L536 PolarHBondContact O-N 2.72Å; T533-I537 HydrophobicContact CG2-CD1 3.98Å; T533-I537 WeakPolarHBondContact O-CD1 3.47Å; T533-I537 WeakPolarHBondContact O-CG1 3.43Å; T533-I537 PolarHBondContact O-N 3.28Å
534I97.8Very high91.4Very high1 Ų141.6 Ų41.61%0.00523%0.227CC..Hα-helixtrans-65.1-38.8177.5-64.9168.8000110.9V522 V530 H531 L536 I537 G538 I630 D633 L634 V637V522-I534 HydrophobicContact CG2-CG1 4.44Å; V530-I534 HydrophobicContact CG1-CD1 3.82Å; V530-I534 WeakPolarHBondContact O-CG1 3.33Å; V530-I534 PolarHBondContact O-N 2.93Å; H531-I534 PolarHBondContact O-N 2.94Å; I534-L536 VanDerWaalsContact C-N 3.32Å; I534-L536 PolarHBondContact O-N 3.36Å; I534-I537 PolarHBondContact O-N 3.17Å; I534-G538 PolarHBondContact O-N 3.1Å; I534-I630 HydrophobicContact CD1-CB 4.1Å; I534-I630 HydrophobicContact CD1-CG1 4.15Å; I534-I630 HydrophobicContact CD1-CG2 3.9Å; I534-D633 HydrophobicContact CB-CB 4.18Å; I534-D633 HydrophobicContact CD1-CB 3.88Å; I534-D633 HydrophobicContact CG2-CB 3.61Å; I534-L634 HydrophobicContact CG2-CD2 3.8Å; I534-L634 HydrophobicContact CG2-CG 3.95Å; I534-V637 HydrophobicContact CG2-CG2 3.85Å
535S95.8Very high89.3Confident51 Ų5142.6 Ų42.636%0.35723%0.234SC..Hα-helixtrans-58.1-43.8172.9-171.20000112.2H531 S532 T533 G538 K539H531-S535 WeakPolarHBondContact O-CB 3.43Å; H531-S535 PolarHBondContact O-N 3.45Å; S532-S535 PolarHBondContact O-N 3.48Å; T533-S535 VanDerWaalsContact C-N 3.33Å; T533-S535 PolarHBondContact O-N 3.18Å; S535-G538 PolarHBondContact O-N 2.92Å; S535-K539 WeakPolarHBondContact O-CG 3.45Å; S535-K539 PolarHBondContact O-N 2.71Å
536L95.3Very high86.8Confident1 Ų143.5 Ų43.51%0.00524%0.237CC..Hα-helixtrans-63.9-45.4175176.357.1000112L493 I496 T497 A500 M518 S532 T533 I534 G538 K539 L540L493-L536 HydrophobicContact CD1-CD2 3.58Å; L493-L536 HydrophobicContact CG-CD2 4.26Å; I496-L536 HydrophobicContact CB-CD2 4.21Å; I496-L536 HydrophobicContact CG2-CD2 3.78Å; T497-L536 HydrophobicContact CG2-CD1 4.21Å; A500-L536 HydrophobicContact CB-CD1 4.46Å; M518-L536 HydrophobicContact CE-CD2 4.47Å; M518-L536 HydrophobicContact SD-CD2 3.77Å; M518-L536 HydrophobicContact SD-CG 4.44Å; S532-L536 PolarHBondContact O-N 2.87Å; T533-L536 WeakPolarHBondContact O-CB 3.49Å; T533-L536 PolarHBondContact O-N 2.72Å; I534-L536 VanDerWaalsContact C-N 3.32Å; I534-L536 PolarHBondContact O-N 3.36Å; L536-G538 VanDerWaalsContact C-N 3.26Å; L536-G538 PolarHBondContact O-N 3.34Å; L536-K539 PolarHBondContact O-N 3.07Å; L536-K539 VanDerWaalsContact O-N 3.14Å; L536-L540 HydrophobicContact CD1-CD1 4.06Å; L536-L540 HydrophobicContact CD1-CG 3.98Å; L536-L540 HydrophobicContact CG-CD1 3.94Å; L536-L540 HydrophobicContact CG-CG 4.34Å; L536-L540 WeakPolarHBondContact O-CG 3.28Å; L536-L540 PolarHBondContact O-N 2.95Å
537I93.6Very high84.2Confident0 Ų047.6 Ų47.60%026%0.26CS..Hα-helixtrans-57.6-42.8175.7-68.6153.7000110.7M518 V522 T533 I534 L540 S541 F604 F608M518-I537 HydrophobicContact CB-CD1 4.3Å; M518-I537 HydrophobicContact CB-CG1 4.3Å; M518-I537 HydrophobicContact CG-CG1 4.41Å; V522-I537 HydrophobicContact CG2-CD1 4.26Å; T533-I537 HydrophobicContact CG2-CD1 3.98Å; T533-I537 WeakPolarHBondContact O-CD1 3.47Å; T533-I537 WeakPolarHBondContact O-CG1 3.43Å; T533-I537 PolarHBondContact O-N 3.28Å; I534-I537 PolarHBondContact O-N 3.17Å; I537-L540 PolarHBondContact O-N 2.75Å; I537-S541 VanDerWaalsContact O-CB 3.32Å; I537-S541 WeakPolarHBondContact O-CB 3.49Å; I537-S541 PolarHBondContact O-N 3.31Å; I537-S541 PolarHBondContact O-OG 3.1Å; I537-F604 HydrophobicContact CG2-CE1 4.37Å; I537-F608 HydrophobicContact CD1-CD2 4.03Å; I537-F608 HydrophobicContact CD1-CE1 3.98Å; I537-F608 HydrophobicContact CD1-CE2 3.32Å; I537-F608 HydrophobicContact CD1-CZ 3.31Å; I537-F608 HydrophobicContact CG1-CD2 4.32Å; I537-F608 HydrophobicContact CG1-CE2 4.09Å; I537-F608 HydrophobicContact CG1-CZ 4.31Å; I537-F608 HydrophobicContact CG2-CD1 3.71Å; I537-F608 HydrophobicContact CG2-CD2 4.33Å; I537-F608 HydrophobicContact CG2-CE1 3.93Å; I537-F608 HydrophobicContact CG2-CG 3.94Å; I537-F608 HydrophobicContact CG2-CZ 4.35Å
538G91.7Very high81.2Confident2 Ų245.6 Ų45.62%0.02126%0.258CS..Hα-helixtrans-54.4-53.317300000111.8I534 S535 L536 L540 S541 H542I534-G538 PolarHBondContact O-N 3.1Å; S535-G538 PolarHBondContact O-N 2.92Å; L536-G538 VanDerWaalsContact C-N 3.26Å; L536-G538 PolarHBondContact O-N 3.34Å; G538-L540 PolarHBondContact O-N 3.18Å; G538-S541 PolarHBondContact O-N 3.46Å; G538-H542 PolarHBondContact O-N 2.93Å; G538-H542 PolarHBondContact O-ND1 3.44Å
539K89.5Confident78.3Confident83 Ų8348.1 Ų48.136%0.36128%0.275SS..Hα-helixtrans-59.1-47.6177.9-69.7178.2176.7-170.70112.5T497 E501 S535 L536 S541 H542 H543T497-K539 HydrophobicContact CG2-CD 3.89Å; E501-K539 IonicContact OE1-NZ 3.64Å; E501-K539 PolarHBondContact OE1-NZ 3.31Å; S535-K539 WeakPolarHBondContact O-CG 3.45Å; S535-K539 PolarHBondContact O-N 2.71Å; L536-K539 PolarHBondContact O-N 3.07Å; L536-K539 VanDerWaalsContact O-N 3.14Å; K539-S541 VanDerWaalsContact C-N 3.27Å; K539-S541 PolarHBondContact O-N 3.32Å; K539-H542 PolarHBondContact O-N 3.06Å; K539-H543 PolarHBondContact O-CD2 3.17Å
540L89.4Confident75.3Confident0 Ų055.3 Ų55.30%031%0.313CS..Hα-helixtrans-61.8-35.7179-70.3172.6000112.2A500 F508 L514 L536 I537 G538 H542 H543 F604A500-L540 HydrophobicContact CB-CD2 3.59Å; F508-L540 HydrophobicContact CE2-CD2 4.03Å; F508-L540 HydrophobicContact CZ-CB 4.14Å; F508-L540 HydrophobicContact CZ-CD2 3.85Å; L514-L540 HydrophobicContact CD2-CD1 3.83Å; L536-L540 HydrophobicContact CD1-CD1 4.06Å; L536-L540 HydrophobicContact CD1-CG 3.98Å; L536-L540 HydrophobicContact CG-CD1 3.94Å; L536-L540 HydrophobicContact CG-CG 4.34Å; L536-L540 WeakPolarHBondContact O-CG 3.28Å; L536-L540 PolarHBondContact O-N 2.95Å; I537-L540 PolarHBondContact O-N 2.75Å; G538-L540 PolarHBondContact O-N 3.18Å; L540-H542 PolarHBondContact O-N 2.87Å; L540-H543 PolarHBondContact O-N 3.4Å; L540-H543 VanDerWaalsContact O-N 3.15Å; L540-F604 HydrophobicContact CB-CD1 4.2Å; L540-F604 HydrophobicContact CB-CE1 3.74Å; L540-F604 HydrophobicContact CB-CZ 4.26Å; L540-F604 HydrophobicContact CD1-CE1 4.28Å; L540-F604 HydrophobicContact CD1-CZ 4.01Å
541S87.2Confident72.3Confident11 Ų1158.5 Ų58.58%0.07734%0.335CS..Hα-helixtrans-66.1-25.9-179.6-63.10000113.4I537 G538 K539 L638I537-S541 VanDerWaalsContact O-CB 3.32Å; I537-S541 WeakPolarHBondContact O-CB 3.49Å; I537-S541 PolarHBondContact O-N 3.31Å; I537-S541 PolarHBondContact O-OG 3.1Å; G538-S541 PolarHBondContact O-N 3.46Å; K539-S541 VanDerWaalsContact C-N 3.27Å; K539-S541 PolarHBondContact O-N 3.32Å; S541-L638 WeakPolarHBondContact OG-CD2 3.32Å
542H83.4Confident69.4Low114 Ų11463.3 Ų63.353%0.52836%0.357SS..Hα-helixtrans-84.2-17.8176-67.488.7000113.4G538 K539 L540 T544 V637G538-H542 PolarHBondContact O-N 2.93Å; G538-H542 PolarHBondContact O-ND1 3.44Å; K539-H542 PolarHBondContact O-N 3.06Å; L540-H542 PolarHBondContact O-N 2.87Å; H542-T544 PolarHBondContact O-N 3.38Å; H542-T544 VanDerWaalsContact O-N 3.1Å; H542-V637 PolarHBondContact CE1-O 2.98Å; H542-V637 VanDerWaalsContact CE1-O 3.23Å
543H72.8Confident66.6Low61 Ų6164 Ų6428%0.28236%0.357SS..  trans-74.7104174.7-81.7-77.1000109.6F508 K539 L540 T545 N602F508-H543 HydrophobicContact CE2-CB 3.81Å; F508-H543 HydrophobicContact CZ-CB 4.19Å; K539-H543 PolarHBondContact O-CD2 3.17Å; L540-H543 PolarHBondContact O-N 3.4Å; L540-H543 VanDerWaalsContact O-N 3.15Å; H543-T545 PolarHBondContact O-N 3.45Å; H543-N602 PolarHBondContact O-ND2 3.06Å
544T57.6Low63.9Low113 Ų11372 Ų7269%0.69339%0.392SS*.  trans-75.969165.7-43.90000108.4H542 V546H542-T544 PolarHBondContact O-N 3.38Å; H542-T544 VanDerWaalsContact O-N 3.1Å; T544-V546 PolarHBondContact O-N 3.44Å
545T51.2Low61.6Low31 Ų3180.2 Ų80.219%0.1943%0.43CS..  trans-62.3115.515945.90000105.4F508 H543 V547F508-T545 HydrophobicContact CD2-CG2 3.47Å; F508-T545 VanDerWaalsContact CD2-CG2 3.47Å; F508-T545 HydrophobicContact CE2-CG2 3.92Å; F508-T545 HydrophobicContact CG-CG2 4.2Å; H543-T545 PolarHBondContact O-N 3.45Å; T545-V547 VanDerWaalsContact C-N 3.25Å; T545-V547 PolarHBondContact O-N 2.94Å
546V40.3Very low59.4Low122 Ų12279 Ų7974%0.73942%0.422SS*.  trans-50100170170.60000105.1T544 G548T544-V546 PolarHBondContact O-N 3.44Å; V546-G548 VanDerWaalsContact CG1-CA 3.49Å; V546-G548 PolarHBondContact O-N 3.44Å
547V41.2Very low57.7Low101 Ų10180.8 Ų80.861%0.61243%0.432SS*.  trans-70.254.3160.8-172.90000106.1T545T545-V547 VanDerWaalsContact C-N 3.25Å; T545-V547 PolarHBondContact O-N 2.94Å
548G32.8Very low56.5Low33 Ų3385.3 Ų85.334%0.3446%0.455SS..  trans-100104.3177.700000106.9V546 N550V546-G548 VanDerWaalsContact CG1-CA 3.49Å; V546-G548 PolarHBondContact O-N 3.44Å; G548-N550 VanDerWaalsContact C-N 3.27Å; G548-N550 PolarHBondContact O-N 3.08Å
549N35.7Very low55.6Low162 Ų16285.7 Ų85.787%0.86646%0.457SS*.SBendtrans56-15.4152.1-70.5-5.7000122
550N34.4Very low55.1Low150 Ų15083.6 Ų83.680%0.80245%0.452SS*.  trans-120.72-174-77.1-0.5000116.9G548G548-N550 VanDerWaalsContact C-N 3.27Å; G548-N550 PolarHBondContact O-N 3.08Å
551C35.5Very low54.5Low68 Ų6890.8 Ų90.846%0.45949%0.485SS..  trans-92.3115.9166.452.70000110.3N553C551-N553 PolarHBondContact O-N 3.28Å; C551-N553 VanDerWaalsContact O-N 3.08Å
552H35.7Very low53.9Low178 Ų17895 Ų9582%0.82450%0.504SS*.  trans-696.3177.1-82.9-78.7000114.3K554H552-K554 PolarHBondContact O-N 2.66Å
553N39.6Very low53.8Low61 Ų6189.6 Ų89.633%0.32648%0.479SS..  trans-86.552.7-173.4-63.41.7000112.4S509 C551 E555S509-N553 PolarHBondContact O-ND2 2.96Å; C551-N553 PolarHBondContact O-N 3.28Å; C551-N553 VanDerWaalsContact O-N 3.08Å; N553-E555 VanDerWaalsContact C-N 3.32Å; N553-E555 PolarHBondContact O-N 2.96Å
554K40.9Very low54Low170 Ų17089 Ų8974%0.73948%0.479SS*.THydrogen-bonded Turntrans-71.3-12.4-167-79.9-175.4176.6177.80115.8H552 I558H552-K554 PolarHBondContact O-N 2.66Å; K554-I558 WeakPolarHBondContact O-CD1 3.48Å; K554-I558 WeakPolarHBondContact O-CG1 3.41Å
555E49.8Very low54.8Low172 Ų17289.4 Ų89.480%0.80447%0.472SS*.THydrogen-bonded Turntrans-97.7-31.4-169-69.6-173.7170.700115.4N553N553-E555 VanDerWaalsContact C-N 3.32Å; N553-E555 PolarHBondContact O-N 2.96Å
556S50.1Low55.9Low27 Ų2792.1 Ų92.119%0.18948%0.484CS..THydrogen-bonded Turntrans-79.6-32.4-170.558.50000114.5D512D512-S556 VanDerWaalsContact CG-CB 3.48Å; D512-S556 VanDerWaalsContact CG-OG 3.25Å; D512-S556 WeakPolarHBondContact OD1-CB 3.35Å; D512-S556 PolarHBondContact OD1-OG 2.74Å
557V59.2Low57.5Low37 Ų3787.7 Ų87.722%0.22446%0.456CS..THydrogen-bonded Turntrans-105.635.8-178.4-158.60000111V511 T603 R607V511-V557 HydrophobicContact CB-CG2 4.31Å; V511-V557 HydrophobicContact CG1-CG2 3.53Å; V511-V557 HydrophobicContact CG2-CG2 3.78Å; V557-T603 HydrophobicContact CG1-CG2 3.87Å; V557-R607 HydrophobicContact CG1-CB 4.39Å
558I68Low58.6Low95 Ų9588 Ų8849%0.48745%0.451SS..PPolyproline II helixtrans-83.6117.7172.1-57.5178.7000109K554 R607K554-I558 WeakPolarHBondContact O-CD1 3.48Å; K554-I558 WeakPolarHBondContact O-CG1 3.41Å; I558-R607 PolarHBondContact O-NH1 3.19Å
559L73.7Confident59.6Low10 Ų1090.7 Ų90.75%0.05246%0.458CS..PPolyproline II helixtrans-87.3138.5165.6-156.873.9000109.3Q561 L563 V564 L567 L606 L610L559-Q561 PolarHBondContact O-N 3.45Å; L559-L563 HydrophobicContact CD1-CD2 3.87Å; L559-L563 HydrophobicContact CD2-CB 4.45Å; L559-L563 HydrophobicContact CD2-CD2 4.11Å; L559-L563 HydrophobicContact CD2-CG 4.11Å; L559-L563 HydrophobicContact CG-CB 4.46Å; L559-L563 HydrophobicContact CG-CD2 3.98Å; L559-L563 HydrophobicContact CG-CG 4.37Å; L559-V564 HydrophobicContact CB-CG2 3.78Å; L559-V564 HydrophobicContact CD2-CG2 3.54Å; L559-V564 HydrophobicContact CG-CG2 4.03Å; L559-L567 HydrophobicContact CD2-CD1 4.08Å; L559-L606 HydrophobicContact CD1-CB 4.1Å; L559-L606 HydrophobicContact CD2-CB 3.91Å; L559-L606 HydrophobicContact CD2-CD1 3.86Å; L559-L610 HydrophobicContact CD1-CD2 3.99Å
560P79.3Confident59.5Low39 Ų3988.7 Ų88.725%0.25345%0.454SS..PPolyproline II helixtrans-52.9125.7171.5-26.133.8000110.8E562 L563 V564 L610 Y653P560-E562 PolarHBondContact O-N 3.27Å; P560-E562 VanDerWaalsContact O-N 3.13Å; P560-L563 HydrophobicContact CB-CB 4.25Å; P560-L563 WeakPolarHBondContact O-CA 3.44Å; P560-L563 WeakPolarHBondContact O-CB 3.4Å; P560-L563 PolarHBondContact O-N 3.09Å; P560-V564 PolarHBondContact O-N 3.02Å; P560-V564 VanDerWaalsContact O-N 3.09Å; P560-L610 HydrophobicContact CG-CD2 4.28Å; P560-Y653 HydrophobicContact CB-CE1 4.15Å; P560-Y653 VanDerWaalsContact CB-OH 3.27Å; P560-Y653 WeakPolarHBondContact CB-OH 3.3Å; P560-Y653 HydrophobicContact CG-CE1 4.21Å
561Q75.1Confident59.4Low151 Ų15185 Ų8571%0.70644%0.443SS*.Hα-helixtrans-57.6-33.1-174.6-69.8-178.2-3.600112.4L559 V564 K565L559-Q561 PolarHBondContact O-N 3.45Å; Q561-V564 PolarHBondContact O-N 3.37Å; Q561-K565 VanDerWaalsContact O-CG 3.3Å; Q561-K565 WeakPolarHBondContact O-CG 3.4Å; Q561-K565 PolarHBondContact O-N 3.3Å
562E74.9Confident59.2Low99 Ų9987.8 Ų87.846%0.46346%0.458SS..Hα-helixtrans-63.2-40174.2-66.4-55.712800112.1P560 K565 L566 Y653P560-E562 PolarHBondContact O-N 3.27Å; P560-E562 VanDerWaalsContact O-N 3.13Å; E562-K565 PolarHBondContact O-N 2.82Å; E562-K565 IonicContact OE1-NZ 2.75Å; E562-K565 PolarHBondContact OE1-NZ 3.39Å; E562-L566 VanDerWaalsContact O-CG 3.29Å; E562-L566 WeakPolarHBondContact O-CG 3.4Å; E562-L566 PolarHBondContact O-N 3.37Å; E562-L566 VanDerWaalsContact O-N 3.07Å; E562-Y653 HydrophobicContact CB-CD2 4.45Å; E562-Y653 HydrophobicContact CB-CE2 3.68Å
563L81.3Confident58.7Low1 Ų185.5 Ų85.51%0.00546%0.456CS..Hα-helixtrans-67.7-40.1175.5-178.261.3000111.5L559 P560 K565 L566 L567 L610 T649 I650 Y653L559-L563 HydrophobicContact CD1-CD2 3.87Å; L559-L563 HydrophobicContact CD2-CB 4.45Å; L559-L563 HydrophobicContact CD2-CD2 4.11Å; L559-L563 HydrophobicContact CD2-CG 4.11Å; L559-L563 HydrophobicContact CG-CB 4.46Å; L559-L563 HydrophobicContact CG-CD2 3.98Å; L559-L563 HydrophobicContact CG-CG 4.37Å; P560-L563 HydrophobicContact CB-CB 4.25Å; P560-L563 WeakPolarHBondContact O-CA 3.44Å; P560-L563 WeakPolarHBondContact O-CB 3.4Å; P560-L563 PolarHBondContact O-N 3.09Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 3.06Å; L563-L566 PolarHBondContact O-N 2.85Å; L563-L567 HydrophobicContact CD1-CD1 4.19Å; L563-L567 HydrophobicContact CD1-CG 4.36Å; L563-L567 HydrophobicContact CG-CD1 3.94Å; L563-L567 VanDerWaalsContact O-CG 3.31Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 2.63Å; L563-L610 HydrophobicContact CD2-CD1 4.38Å; L563-L610 HydrophobicContact CD2-CD2 4.2Å; L563-T649 HydrophobicContact CD1-CG2 3.83Å; L563-I650 HydrophobicContact CD1-CG1 4.11Å; L563-I650 HydrophobicContact CD2-CG1 4.01Å; L563-Y653 HydrophobicContact CB-CD1 4.37Å; L563-Y653 HydrophobicContact CB-CE1 4.44Å; L563-Y653 HydrophobicContact CB-CG 4.47Å; L563-Y653 HydrophobicContact CD1-CD1 4.48Å; L563-Y653 HydrophobicContact CD1-CG 4.33Å
564V77.1Confident58Low48 Ų4889.9 Ų89.929%0.29148%0.48SS..Hα-helixtrans-57.8-46.8173.5-179.30000110.2L559 P560 Q561 L566 L567 H568L559-V564 HydrophobicContact CB-CG2 3.78Å; L559-V564 HydrophobicContact CD2-CG2 3.54Å; L559-V564 HydrophobicContact CG-CG2 4.03Å; P560-V564 PolarHBondContact O-N 3.02Å; P560-V564 VanDerWaalsContact O-N 3.09Å; Q561-V564 PolarHBondContact O-N 3.37Å; V564-L566 VanDerWaalsContact C-N 3.29Å; V564-L566 PolarHBondContact O-N 2.9Å; V564-L567 PolarHBondContact O-N 2.91Å; V564-L567 VanDerWaalsContact O-N 3.17Å; V564-H568 VanDerWaalsContact CG1-CD2 3.44Å; V564-H568 WeakPolarHBondContact CG1-CD2 3.43Å; V564-H568 PolarHBondContact O-CD2 3.38Å; V564-H568 VanDerWaalsContact O-CD2 3.3Å; V564-H568 PolarHBondContact O-N 3.22Å
565K75.4Confident57.1Low123 Ų12384.9 Ų84.954%0.53548%0.477SS..Hα-helixtrans-62.4-32.2177.6-70171.3-168.21690113.3Q561 E562 L563Q561-K565 VanDerWaalsContact O-CG 3.3Å; Q561-K565 WeakPolarHBondContact O-CG 3.4Å; Q561-K565 PolarHBondContact O-N 3.3Å; E562-K565 PolarHBondContact O-N 2.82Å; E562-K565 IonicContact OE1-NZ 2.75Å; E562-K565 PolarHBondContact OE1-NZ 3.39Å; L563-K565 VanDerWaalsContact C-N 3.33Å; L563-K565 PolarHBondContact O-N 3.06Å
566L74.4Confident55.9Low87 Ų8784.9 Ų84.946%0.45548%0.477SS..Hα-helixtrans-76.8-26.5176.7-69170.6000112.9E562 L563 V564 T649 Y653 K698E562-L566 VanDerWaalsContact O-CG 3.29Å; E562-L566 WeakPolarHBondContact O-CG 3.4Å; E562-L566 PolarHBondContact O-N 3.37Å; E562-L566 VanDerWaalsContact O-N 3.07Å; L563-L566 PolarHBondContact O-N 2.85Å; V564-L566 VanDerWaalsContact C-N 3.29Å; V564-L566 PolarHBondContact O-N 2.9Å; L566-T649 HydrophobicContact CB-CG2 3.55Å; L566-T649 HydrophobicContact CD1-CG2 4.36Å; L566-Y653 HydrophobicContact CD1-CD2 4.1Å; L566-K698 WeakPolarHBondContact O-CE 3.42Å; L566-K698 PolarHBondContact O-NZ 2.97Å
567L73.1Confident54.6Low29 Ų2990.8 Ų90.815%0.15251%0.506CS..Hα-helixtrans-85-40.2178.6-70167.2000112.1L559 L563 V564 L606 T646 T649L559-L567 HydrophobicContact CD2-CD1 4.08Å; L563-L567 HydrophobicContact CD1-CD1 4.19Å; L563-L567 HydrophobicContact CD1-CG 4.36Å; L563-L567 HydrophobicContact CG-CD1 3.94Å; L563-L567 VanDerWaalsContact O-CG 3.31Å; L563-L567 WeakPolarHBondContact O-CG 3.37Å; L563-L567 PolarHBondContact O-N 2.63Å; V564-L567 PolarHBondContact O-N 2.91Å; V564-L567 VanDerWaalsContact O-N 3.17Å; L567-L606 HydrophobicContact CD1-CD1 3.73Å; L567-L606 HydrophobicContact CD1-CD2 3.51Å; L567-L606 HydrophobicContact CD1-CG 4.13Å; L567-L606 HydrophobicContact CD2-CD2 4.43Å; L567-T646 HydrophobicContact CD2-CG2 4.34Å; L567-T649 HydrophobicContact CD2-CG2 3.94Å; L567-T649 HydrophobicContact CG-CG2 4.14Å
568H65.6Low53Low108 Ų10895.8 Ų95.850%0.553%0.532SS..SBendtrans-79.4141174.8-75.6-84.6000112V564 P570V564-H568 VanDerWaalsContact CG1-CD2 3.44Å; V564-H568 WeakPolarHBondContact CG1-CD2 3.43Å; V564-H568 PolarHBondContact O-CD2 3.38Å; V564-H568 VanDerWaalsContact O-CD2 3.3Å; V564-H568 PolarHBondContact O-N 3.22Å; H568-P570 WeakPolarHBondContact O-CD 3.24Å
569D52.1Low50.8Low90 Ų9095.7 Ų95.748%0.48154%0.539SS..  trans-61.1127.9171.8-92.2-44000110.9A571 Q694D569-A571 PolarHBondContact O-N 2.94Å; D569-Q694 PolarHBondContact OD1-NE2 3.36Å
570P33.9Very low48.5Very low120 Ų120103.9 Ų103.978%0.77958%0.578SS**THydrogen-bonded Turntrans-68.57.1171.524.1-29.9000114.1H568H568-P570 WeakPolarHBondContact O-CD 3.24Å
571A33.3Very low45.9Very low71 Ų71108.5 Ų108.559%0.58761%0.605SS**THydrogen-bonded Turntrans-96.5-6.1-170.600000116.2D569D569-A571 PolarHBondContact O-N 2.94Å
572V30.6Very low43.6Very low127 Ų127105.7 Ų105.777%0.7760%0.602SS**SBendtrans-94.7-9.3-176.5-175.70000113.9
573V26.2Very low41Very low130 Ų130107.5 Ų107.579%0.78861%0.614SS**SBendtrans-93.8-15.8-175-177.40000114.5G575V573-G575 VanDerWaalsContact C-N 3.34Å; V573-G575 PolarHBondContact O-N 3.11Å
574N25Very low38.4Very low153 Ų153118.6 Ų118.682%0.81866%0.658SS**  trans-98.351.1178.7-74.6-5.9000112.7Q576N574-Q576 VanDerWaalsContact C-N 3.29Å; N574-Q576 PolarHBondContact O-N 3.48Å
575G22Very low35.7Very low65 Ų65121.2 Ų121.267%0.6768%0.679SS**  trans-91.650.316700000111.8V573V573-G575 VanDerWaalsContact C-N 3.34Å; V573-G575 PolarHBondContact O-N 3.11Å
576Q24.4Very low33.4Very low172 Ų172121.4 Ų121.480%0.80469%0.69SS**SBendtrans-179.287168.7-102.9161.733.700107.5N574N574-Q576 VanDerWaalsContact C-N 3.29Å; N574-Q576 PolarHBondContact O-N 3.48Å
577N23.1Very low30.9Very low152 Ų152125.9 Ų125.981%0.81371%0.708SS**  trans172.7129.8138.5-84.8-23.3000110.9
578N24.1Very low28.7Very low141 Ų141131.7 Ų131.775%0.75474%0.738SS**  trans78.480.8158.9-61.6-8.2000118.1
579S22.4Very low26.6Very low93 Ų93131.8 Ų131.865%0.6575%0.751SS**  28.9129.3113.559.20000119
580Q24.2Very low25.4Very low183 Ų183132.8 Ų132.886%0.85577%0.765SS**  trans81.1104.6158.7-57.9175.2-9.100115.7
581V26.5Very low24.9Very low136 Ų136136.3 Ų136.382%0.82477%0.771SS**  -171.2113.3118.3166.60000108.7
582S25.6Very low24.4Very low92 Ų92141.1 Ų141.164%0.64378%0.781SS**  trans14122.5155.158.10000122
583D20.8Very low24.1Very low136 Ų136141 Ų14173%0.72779%0.786SS**  28.6106.3124.8-79.9-24.2000118.5
584Y26.9Very low24Very low234 Ų234141.7 Ų141.792%0.91878%0.784SS**  trans-149.995.7133.6-87.7-75.2000108.6
585S20.7Very low24Very low104 Ų104139.5 Ų139.573%0.72778%0.779SS**  trans-75.5118.3175.8-45.30000110.2
586V26.3Very low24.1Very low127 Ų127142.6 Ų142.677%0.7779%0.79SS**  trans-125.396.9160.3179.30000107.2I588V586-I588 HydrophobicContact CG1-CG1 4.43Å; V586-I588 PolarHBondContact O-N 3.37Å
587E21.5Very low24.4Very low180 Ų180138.8 Ų138.884%0.84178%0.782SS**  trans-70.3111.3171.7-69.2176.6154.500109.4
588I26.8Very low25.2Very low151 Ų151136.7 Ų136.777%0.77478%0.78SS**  trans-11298.9155.8-62.2-180000106.6V586V586-I588 HydrophobicContact CG1-CG1 4.43Å; V586-I588 PolarHBondContact O-N 3.37Å
589S21.3Very low26.3Very low111 Ų111134 Ų13478%0.77677%0.772SS**  trans-74.6117.6162.5-76.40000109.2
590S27.9Very low27.9Very low111 Ų111133 Ų13378%0.77677%0.769SS**  trans-174.4126134.96.40000110E592S590-E592 PolarHBondContact O-N 3.08Å
591Q22.4Very low29.6Very low193 Ų193126.1 Ų126.190%0.90274%0.74SS**  trans-62.6115.6176.9-63.5154.1-61.700110.9
592E24.2Very low31.9Very low173 Ų173120.9 Ų120.981%0.80871%0.708SS**  trans-132.8106.4145.9-81.5-172.6165.200107.2S590 L594S590-E592 PolarHBondContact O-N 3.08Å; E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.27Å
593S23.3Very low34.6Very low123 Ų123119.1 Ų119.186%0.8669%0.693SS**  trans-62.982.9174.448.70000109.8
594L24.5Very low37.8Very low145 Ų145113 Ų11376%0.75966%0.66SS**  trans-73.7129.3163-114.684000108E592 S596E592-L594 VanDerWaalsContact C-N 3.26Å; E592-L594 PolarHBondContact O-N 3.27Å; L594-S596 PolarHBondContact O-N 3.38Å
595P25.3Very low40.7Very low108 Ų108101.9 Ų101.970%0.70162%0.617SS**  trans-64.3114.8-177.825.7-31.2000109.2S597P595-S597 PolarHBondContact O-N 3.49Å
596S24Very low44Very low130 Ų13097.3 Ų97.391%0.90958%0.584SS**  trans-71.553.9172.540.40000111.5L594L594-S596 PolarHBondContact O-N 3.38Å
597S31.3Very low47.1Very low91 Ų9194.2 Ų94.264%0.63656%0.559SS**  trans-114.550.4176.670.20000111.2P595 S599P595-S597 PolarHBondContact O-N 3.49Å; S597-S599 PolarHBondContact O-N 2.97Å
598S39.7Very low50.5Low109 Ų10985.7 Ų85.776%0.76252%0.519SS*.  trans-74.977.3149.8670000105.8A600S598-A600 PolarHBondContact O-N 2.7Å
599S46.2Very low53.8Low83 Ų8378.5 Ų78.558%0.5848%0.482SS*.  trans-59.5109.2175.560.90000106.1S597S597-S599 PolarHBondContact O-N 2.97Å
600A56.8Low57.2Low72 Ų7273.4 Ų73.460%0.59545%0.446SS*.PPolyproline II helixtrans-48.6133.9173.300000107.9S598 N602S598-A600 PolarHBondContact O-N 2.7Å; A600-N602 PolarHBondContact O-N 2.84Å
601P58.8Low60.3Low39 Ų3968.9 Ų68.925%0.25341%0.413SS..PPolyproline II helixtrans-54129.5-176.720.1-32.8000110C605 L606 T642P601-C605 HydrophobicContact CB-CB 4.21Å; P601-L606 HydrophobicContact CB-CD2 3.74Å; P601-L606 HydrophobicContact CB-CG 4.01Å; P601-L606 HydrophobicContact CG-CD1 4.42Å; P601-L606 HydrophobicContact CG-CD2 3.44Å; P601-L606 VanDerWaalsContact CG-CD2 3.44Å; P601-L606 HydrophobicContact CG-CG 4.01Å; P601-T642 HydrophobicContact CB-CG2 3.79Å; P601-T642 HydrophobicContact CG-CG2 4.22Å
602N75.6Confident63.8Low27 Ų2759.9 Ų59.914%0.14437%0.371CS..PPolyproline II helixtrans-59.7153.8178-168.94.7000110H543 A600 F604 C605 L606H543-N602 PolarHBondContact O-ND2 3.06Å; A600-N602 PolarHBondContact O-N 2.84Å; N602-F604 PolarHBondContact O-N 2.64Å; N602-F604 VanDerWaalsContact O-N 3.1Å; N602-C605 WeakPolarHBondContact O-CB 3.44Å; N602-C605 PolarHBondContact O-N 3.26Å; N602-L606 PolarHBondContact O-N 3.3Å; N602-L606 VanDerWaalsContact O-N 3.1Å
603T82.8Confident67.2Low55 Ų5551.8 Ų51.834%0.33733%0.334SS..Hα-helixtrans-52.1-36.3179.3-46.80000112V557 L606 R607V557-T603 HydrophobicContact CG1-CG2 3.87Å; T603-L606 PolarHBondContact O-N 2.89Å; T603-R607 VanDerWaalsContact O-CB 3.28Å; T603-R607 WeakPolarHBondContact O-CB 3.33Å; T603-R607 PolarHBondContact O-N 3.17Å
604F86.6Confident70.6Confident6 Ų649.3 Ų49.33%0.02631%0.308CS..Hα-helixtrans-59.5-49173.5178.3-94.9000112.9F508 V511 L515 I537 L540 N602 L606 R607 F608F508-F604 HydrophobicContact CE1-CB 4.41Å; F508-F604 HydrophobicContact CE1-CD2 4.15Å; F508-F604 HydrophobicContact CE1-CG 4.19Å; V511-F604 HydrophobicContact CG2-CD2 3.88Å; V511-F604 HydrophobicContact CG2-CE2 4Å; L515-F604 HydrophobicContact CB-CE2 4.45Å; L515-F604 HydrophobicContact CD1-CE2 4.13Å; L515-F604 HydrophobicContact CD1-CZ 4.41Å; I537-F604 HydrophobicContact CG2-CE1 4.37Å; L540-F604 HydrophobicContact CB-CD1 4.2Å; L540-F604 HydrophobicContact CB-CE1 3.74Å; L540-F604 HydrophobicContact CB-CZ 4.26Å; L540-F604 HydrophobicContact CD1-CE1 4.28Å; L540-F604 HydrophobicContact CD1-CZ 4.01Å; N602-F604 PolarHBondContact O-N 2.64Å; N602-F604 VanDerWaalsContact O-N 3.1Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 3.35Å; F604-R607 PolarHBondContact O-N 3.27Å; F604-F608 WeakPolarHBondContact O-CB 3.44Å; F604-F608 PolarHBondContact O-N 3.02Å
605C89.6Confident73.9Confident2 Ų243.9 Ų43.91%0.01428%0.28CS..Hα-helixtrans-59.7-46.2178.3178.70000111.1P601 N602 R607 F608 L609P601-C605 HydrophobicContact CB-CB 4.21Å; N602-C605 WeakPolarHBondContact O-CB 3.44Å; N602-C605 PolarHBondContact O-N 3.26Å; C605-R607 VanDerWaalsContact C-N 3.34Å; C605-R607 PolarHBondContact O-N 3.42Å; C605-F608 PolarHBondContact O-N 2.96Å; C605-L609 WeakPolarHBondContact O-CG 3.45Å; C605-L609 PolarHBondContact O-N 3.48Å
606L89.9Confident77.3Confident8 Ų838.9 Ų38.94%0.04225%0.247CC..Hα-helixtrans-61.8-44.2179.1-66.4179.5000111.7L559 L567 P601 N602 T603 F604 L609 L610 T646L559-L606 HydrophobicContact CD1-CB 4.1Å; L559-L606 HydrophobicContact CD2-CB 3.91Å; L559-L606 HydrophobicContact CD2-CD1 3.86Å; L567-L606 HydrophobicContact CD1-CD1 3.73Å; L567-L606 HydrophobicContact CD1-CD2 3.51Å; L567-L606 HydrophobicContact CD1-CG 4.13Å; L567-L606 HydrophobicContact CD2-CD2 4.43Å; P601-L606 HydrophobicContact CB-CD2 3.74Å; P601-L606 HydrophobicContact CB-CG 4.01Å; P601-L606 HydrophobicContact CG-CD1 4.42Å; P601-L606 HydrophobicContact CG-CD2 3.44Å; P601-L606 VanDerWaalsContact CG-CD2 3.44Å; P601-L606 HydrophobicContact CG-CG 4.01Å; N602-L606 PolarHBondContact O-N 3.3Å; N602-L606 VanDerWaalsContact O-N 3.1Å; T603-L606 PolarHBondContact O-N 2.89Å; F604-L606 VanDerWaalsContact C-N 3.34Å; F604-L606 PolarHBondContact O-N 3.35Å; L606-L609 PolarHBondContact O-N 3.49Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 PolarHBondContact O-N 2.89Å; L606-T646 HydrophobicContact CD2-CG2 3.46Å; L606-T646 VanDerWaalsContact CD2-CG2 3.46Å
607R90.2Very high80.6Confident61 Ų6134.7 Ų34.723%0.2322%0.215CC..Hα-helixtrans-64.2-45.9177.7178.361.4-174.5-176.83.5111.4L515 V557 I558 T603 F604 C605 L609 L610 D611L515-R607 HydrophobicContact CD2-CG 3.54Å; V557-R607 HydrophobicContact CG1-CB 4.39Å; I558-R607 PolarHBondContact O-NH1 3.19Å; T603-R607 VanDerWaalsContact O-CB 3.28Å; T603-R607 WeakPolarHBondContact O-CB 3.33Å; T603-R607 PolarHBondContact O-N 3.17Å; F604-R607 PolarHBondContact O-N 3.27Å; C605-R607 VanDerWaalsContact C-N 3.34Å; C605-R607 PolarHBondContact O-N 3.42Å; R607-L609 PolarHBondContact O-N 2.85Å; R607-L610 WeakPolarHBondContact O-CB 3.33Å; R607-L610 PolarHBondContact O-N 3.13Å; R607-D611 IonicContact CZ-OD1 3.65Å; R607-D611 IonicContact CZ-OD2 3.45Å; R607-D611 IonicContact NE-OD1 2.71Å; R607-D611 PolarHBondContact NE-OD1 3.28Å; R607-D611 IonicContact NE-OD2 3.68Å; R607-D611 PolarHBondContact NE-OD2 3.35Å; R607-D611 VanDerWaalsContact NE-OD2 3.09Å; R607-D611 IonicContact NH1-OD1 3.34Å; R607-D611 IonicContact NH2-OD1 2.79Å; R607-D611 PolarHBondContact NH2-OD1 3.09Å; R607-D611 IonicContact NH2-OD2 3.59Å; R607-D611 PolarHBondContact O-N 3.32Å
608F93.8Very high83.4Confident1 Ų138.1 Ų38.10%0.00422%0.218CC..Hα-helixtrans-60.1-46.2177174.4-93.7000112.1L515 L519 V522 I537 F604 C605 L610 D611 L612 L634L515-F608 HydrophobicContact CD1-CB 3.98Å; L515-F608 HydrophobicContact CD1-CD2 3.91Å; L515-F608 HydrophobicContact CD1-CG 4.47Å; L519-F608 HydrophobicContact CD1-CE2 4.44Å; V522-F608 HydrophobicContact CG2-CE2 4.39Å; V522-F608 HydrophobicContact CG2-CZ 4.08Å; I537-F608 HydrophobicContact CD1-CD2 4.03Å; I537-F608 HydrophobicContact CD1-CE1 3.98Å; I537-F608 HydrophobicContact CD1-CE2 3.32Å; I537-F608 HydrophobicContact CD1-CZ 3.31Å; I537-F608 HydrophobicContact CG1-CD2 4.32Å; I537-F608 HydrophobicContact CG1-CE2 4.09Å; I537-F608 HydrophobicContact CG1-CZ 4.31Å; I537-F608 HydrophobicContact CG2-CD1 3.71Å; I537-F608 HydrophobicContact CG2-CD2 4.33Å; I537-F608 HydrophobicContact CG2-CE1 3.93Å; I537-F608 HydrophobicContact CG2-CG 3.94Å; I537-F608 HydrophobicContact CG2-CZ 4.35Å; F604-F608 WeakPolarHBondContact O-CB 3.44Å; F604-F608 PolarHBondContact O-N 3.02Å; C605-F608 PolarHBondContact O-N 2.96Å; F608-L610 VanDerWaalsContact C-N 3.31Å; F608-L610 PolarHBondContact O-N 2.86Å; F608-D611 PolarHBondContact O-N 2.98Å; F608-L612 HydrophobicContact CE1-CB 4.4Å; F608-L612 HydrophobicContact CE1-CD2 4.08Å; F608-L612 HydrophobicContact CZ-CD2 4.46Å; F608-L612 WeakPolarHBondContact O-CB 3.38Å; F608-L612 PolarHBondContact O-N 2.84Å; F608-L634 HydrophobicContact CE1-CD1 4.42Å; F608-L634 HydrophobicContact CE1-CD2 3.85Å
609L94.8Very high85.9Confident1 Ų136 Ų361%0.00520%0.198CC..Hα-helixtrans-65.2-34.6178.8-69.6176.6000112.2C605 L606 R607 L612 V613 L634 L638 T646 V647 I650C605-L609 WeakPolarHBondContact O-CG 3.45Å; C605-L609 PolarHBondContact O-N 3.48Å; L606-L609 PolarHBondContact O-N 3.49Å; R607-L609 PolarHBondContact O-N 2.85Å; L609-L612 HydrophobicContact CD2-CD2 4.43Å; L609-V613 WeakPolarHBondContact O-CG2 3.35Å; L609-V613 PolarHBondContact O-N 3.11Å; L609-L634 HydrophobicContact CD2-CD1 4.21Å; L609-L638 HydrophobicContact CD1-CD1 4.47Å; L609-L638 HydrophobicContact CD2-CD1 4.37Å; L609-T646 HydrophobicContact CB-CG2 4.13Å; L609-T646 HydrophobicContact CD1-CG2 3.7Å; L609-V647 HydrophobicContact CD2-CG2 4.43Å; L609-I650 HydrophobicContact CB-CD1 4.02Å
610L93.6Very high87.9Confident4 Ų434.6 Ų34.62%0.02119%0.188CC..Hα-helixtrans-61.7-52.5171.7174.561.3000111.1L559 P560 L563 L606 R607 F608 L612 V613 E614 I650 I654L559-L610 HydrophobicContact CD1-CD2 3.99Å; P560-L610 HydrophobicContact CG-CD2 4.28Å; L563-L610 HydrophobicContact CD2-CD1 4.38Å; L563-L610 HydrophobicContact CD2-CD2 4.2Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 PolarHBondContact O-N 2.89Å; R607-L610 WeakPolarHBondContact O-CB 3.33Å; R607-L610 PolarHBondContact O-N 3.13Å; F608-L610 VanDerWaalsContact C-N 3.31Å; F608-L610 PolarHBondContact O-N 2.86Å; L610-L612 PolarHBondContact O-N 3.45Å; L610-V613 PolarHBondContact O-N 3.45Å; L610-E614 PolarHBondContact O-N 3.29Å; L610-I650 HydrophobicContact CB-CD1 4.21Å; L610-I650 HydrophobicContact CD1-CG1 4.49Å; L610-I650 HydrophobicContact CD1-CG2 3.77Å; L610-I654 HydrophobicContact CD1-CD1 3.81Å; L610-I654 HydrophobicContact CD1-CG1 4.41Å
611D93.6Very high89.5Confident16 Ų1634.3 Ų34.39%0.08618%0.175CC..Hα-helixtrans-63.7-32.6-179-67-13.7000111.5L515 L519 R607 F608 E614 L615L515-D611 WeakPolarHBondContact CD2-OD2 3.3Å; L519-D611 HydrophobicContact CD1-CB 4.45Å; L519-D611 HydrophobicContact CD2-CB 4.04Å; R607-D611 IonicContact CZ-OD1 3.65Å; R607-D611 IonicContact CZ-OD2 3.45Å; R607-D611 IonicContact NE-OD1 2.71Å; R607-D611 PolarHBondContact NE-OD1 3.28Å; R607-D611 IonicContact NE-OD2 3.68Å; R607-D611 PolarHBondContact NE-OD2 3.35Å; R607-D611 VanDerWaalsContact NE-OD2 3.09Å; R607-D611 IonicContact NH1-OD1 3.34Å; R607-D611 IonicContact NH2-OD1 2.79Å; R607-D611 PolarHBondContact NH2-OD1 3.09Å; R607-D611 IonicContact NH2-OD2 3.59Å; R607-D611 PolarHBondContact O-N 3.32Å; F608-D611 PolarHBondContact O-N 2.98Å; D611-E614 PolarHBondContact O-N 3.49Å; D611-L615 WeakPolarHBondContact O-CB 3.27Å; D611-L615 PolarHBondContact O-N 3.37Å
612L96Very high91.1Very high4 Ų433.1 Ų33.12%0.02117%0.166CC..Hα-helixtrans-67.1-43.6173.7-178.465.8000112.6L519 V522 F608 L609 L610 E614 L615 F616 I630 L634L519-L612 HydrophobicContact CD1-CB 4.49Å; L519-L612 HydrophobicContact CD1-CD1 4.47Å; V522-L612 HydrophobicContact CG1-CD1 4.07Å; F608-L612 HydrophobicContact CE1-CB 4.4Å; F608-L612 HydrophobicContact CE1-CD2 4.08Å; F608-L612 HydrophobicContact CZ-CD2 4.46Å; F608-L612 WeakPolarHBondContact O-CB 3.38Å; F608-L612 PolarHBondContact O-N 2.84Å; L609-L612 HydrophobicContact CD2-CD2 4.43Å; L610-L612 PolarHBondContact O-N 3.45Å; L612-E614 VanDerWaalsContact C-N 3.32Å; L612-L615 HydrophobicContact CD1-CD2 4.44Å; L612-L615 WeakPolarHBondContact O-CB 3.24Å; L612-L615 PolarHBondContact O-N 3.23Å; L612-F616 HydrophobicContact CD1-CE1 4.08Å; L612-F616 HydrophobicContact CD1-CE2 3.97Å; L612-F616 HydrophobicContact CD1-CZ 3.73Å; L612-F616 HydrophobicContact CD2-CE2 4.05Å; L612-F616 HydrophobicContact CD2-CZ 4.33Å; L612-F616 HydrophobicContact CG-CD2 4.19Å; L612-F616 HydrophobicContact CG-CE2 3.73Å; L612-F616 HydrophobicContact CG-CZ 4.01Å; L612-F616 WeakPolarHBondContact O-CG 3.42Å; L612-F616 PolarHBondContact O-N 3.4Å; L612-I630 HydrophobicContact CD1-CG2 4.36Å; L612-I630 HydrophobicContact CD2-CG2 4.18Å; L612-L634 HydrophobicContact CD2-CD1 3.32Å
613V95.5Very high92Very high3 Ų331.9 Ų31.92%0.01816%0.16CC..Hα-helixtrans-65.1-40.1175.71720000110.4L609 L610 L615 F616 N617 V647 I650 I654 L657 L663L609-V613 WeakPolarHBondContact O-CG2 3.35Å; L609-V613 PolarHBondContact O-N 3.11Å; L610-V613 PolarHBondContact O-N 3.45Å; V613-L615 VanDerWaalsContact C-N 3.31Å; V613-L615 PolarHBondContact O-N 2.98Å; V613-F616 PolarHBondContact O-N 3.08Å; V613-N617 WeakPolarHBondContact O-CB 3.46Å; V613-N617 PolarHBondContact O-N 3.09Å; V613-V647 HydrophobicContact CG2-CG1 4.04Å; V613-V647 HydrophobicContact CG2-CG2 4.4Å; V613-I650 HydrophobicContact CB-CG2 3.89Å; V613-I650 HydrophobicContact CG1-CG2 3.86Å; V613-I650 HydrophobicContact CG2-CG2 4.06Å; V613-I654 HydrophobicContact CG1-CD1 4.12Å; V613-L657 HydrophobicContact CG1-CD1 4.23Å; V613-L657 HydrophobicContact CG1-CD2 4.29Å; V613-L663 HydrophobicContact CG1-CD2 3.97Å; V613-L663 HydrophobicContact CG2-CD2 4.29Å
614E93.9Very high92.4Very high70 Ų7037.4 Ų37.433%0.32717%0.174SC..Hα-helixtrans-63.2-37.6172.7-71.5-168.4178.500112.4L610 D611 L612 N617 K618 I654L610-E614 PolarHBondContact O-N 3.29Å; D611-E614 PolarHBondContact O-N 3.49Å; L612-E614 VanDerWaalsContact C-N 3.32Å; E614-N617 PolarHBondContact O-N 3.48Å; E614-K618 VanDerWaalsContact O-CG 3.32Å; E614-K618 WeakPolarHBondContact O-CG 3.42Å; E614-K618 PolarHBondContact O-N 3.4Å; E614-K618 IonicContact OE2-NZ 2.72Å; E614-I654 HydrophobicContact CG-CD1 4.25Å
615L94.7Very high92.6Very high32 Ų3246.2 Ų46.217%0.16821%0.207CC..Hα-helixtrans-63-48.6174.6178.265.8000111.1L519 D611 L612 V613 N617 K618 D619 L622L519-L615 HydrophobicContact CD1-CB 4.13Å; L519-L615 HydrophobicContact CD1-CD2 3.67Å; L519-L615 HydrophobicContact CG-CD2 3.96Å; D611-L615 WeakPolarHBondContact O-CB 3.27Å; D611-L615 PolarHBondContact O-N 3.37Å; L612-L615 HydrophobicContact CD1-CD2 4.44Å; L612-L615 WeakPolarHBondContact O-CB 3.24Å; L612-L615 PolarHBondContact O-N 3.23Å; V613-L615 VanDerWaalsContact C-N 3.31Å; V613-L615 PolarHBondContact O-N 2.98Å; L615-N617 PolarHBondContact O-N 2.93Å; L615-K618 PolarHBondContact O-N 2.95Å; L615-K618 VanDerWaalsContact O-N 3.12Å; L615-D619 PolarHBondContact O-N 3.49Å; L615-L622 HydrophobicContact CD2-CD2 3.53Å; L615-L622 HydrophobicContact CG-CD2 3.8Å
616F95.2Very high92.8Very high3 Ų348.3 Ų48.31%0.01322%0.215CC..Hα-helixtrans-61.9-30.5175.3-69.5-31.1000113L612 V613 D619 S620 L622 L623 I630 I631 L663L612-F616 HydrophobicContact CD1-CE1 4.08Å; L612-F616 HydrophobicContact CD1-CE2 3.97Å; L612-F616 HydrophobicContact CD1-CZ 3.73Å; L612-F616 HydrophobicContact CD2-CE2 4.05Å; L612-F616 HydrophobicContact CD2-CZ 4.33Å; L612-F616 HydrophobicContact CG-CD2 4.19Å; L612-F616 HydrophobicContact CG-CE2 3.73Å; L612-F616 HydrophobicContact CG-CZ 4.01Å; L612-F616 WeakPolarHBondContact O-CG 3.42Å; L612-F616 PolarHBondContact O-N 3.4Å; V613-F616 PolarHBondContact O-N 3.08Å; F616-D619 CarbonylContact O-C 3.33Å; F616-S620 PolarHBondContact O-N 2.96Å; F616-L622 HydrophobicContact CD1-CD2 4.11Å; F616-L622 HydrophobicContact CD1-CG 4.36Å; F616-L622 HydrophobicContact CE1-CD2 4.01Å; F616-L622 HydrophobicContact CE1-CG 4.14Å; F616-L623 HydrophobicContact CB-CB 4.21Å; F616-L623 HydrophobicContact CB-CD2 4.42Å; F616-L623 HydrophobicContact CD1-CB 3.83Å; F616-L623 HydrophobicContact CD1-CD1 4.22Å; F616-L623 HydrophobicContact CD2-CD1 3.96Å; F616-L623 HydrophobicContact CE1-CB 4.41Å; F616-L623 HydrophobicContact CE1-CD1 4.39Å; F616-L623 HydrophobicContact CE2-CD1 4.12Å; F616-L623 HydrophobicContact CG-CB 4.08Å; F616-L623 HydrophobicContact CG-CD1 4.01Å; F616-L623 HydrophobicContact CG-CG 4.49Å; F616-L623 HydrophobicContact CZ-CD1 4.34Å; F616-I630 HydrophobicContact CE1-CD1 4.12Å; F616-I630 HydrophobicContact CZ-CB 4.38Å; F616-I630 HydrophobicContact CZ-CD1 4.21Å; F616-I630 HydrophobicContact CZ-CG2 4.01Å; F616-I631 HydrophobicContact CE2-CD1 4.38Å; F616-I631 HydrophobicContact CE2-CG1 4.34Å; F616-L663 HydrophobicContact CD2-CD1 3.99Å
617N93.1Very high93Very high42 Ų4247.9 Ų47.923%0.22521%0.213CC..Hα-helixtrans-72.8-33.1175.3-16759000113.4V613 E614 L615 L657 E658 S659V613-N617 WeakPolarHBondContact O-CB 3.46Å; V613-N617 PolarHBondContact O-N 3.09Å; E614-N617 PolarHBondContact O-N 3.48Å; L615-N617 PolarHBondContact O-N 2.93Å; N617-L657 HydrophobicContact CB-CD1 3.66Å; N617-L657 VanDerWaalsContact CG-CD1 3.4Å; N617-L657 WeakPolarHBondContact OD1-CD1 3.3Å; N617-E658 PolarHBondContact OD1-N 3.08Å; N617-S659 VanDerWaalsContact CA-OG 3.27Å; N617-S659 WeakPolarHBondContact CA-OG 3.31Å; N617-S659 PolarHBondContact OD1-N 3.28Å; N617-S659 PolarHBondContact OD1-OG 3.06Å
618K91.6Very high93.2Very high162 Ų16247.4 Ų47.470%0.70422%0.215SC*.Hα-helixtrans-79.1-35.8175.9-70.3167.1-173.7161.70111.6E614 L615E614-K618 VanDerWaalsContact O-CG 3.32Å; E614-K618 WeakPolarHBondContact O-CG 3.42Å; E614-K618 PolarHBondContact O-N 3.4Å; E614-K618 IonicContact OE2-NZ 2.72Å; L615-K618 PolarHBondContact O-N 2.95Å; L615-K618 VanDerWaalsContact O-N 3.12Å
619D91.7Very high93.2Very high66 Ų6649.2 Ų49.235%0.35322%0.223SC..  trans-12684.9-179.1-171.6-8.2000111.4L615 F616 E621 L622L615-D619 PolarHBondContact O-N 3.49Å; F616-D619 CarbonylContact O-C 3.33Å; D619-E621 PolarHBondContact O-N 3.15Å; D619-E621 WeakPolarHBondContact OD1-CB 3.41Å; D619-E621 PolarHBondContact OD1-N 3.42Å; D619-L622 HydrophobicContact CB-CB 4.16Å; D619-L622 PolarHBondContact O-N 3.44Å; D619-L622 PolarHBondContact OD1-N 2.72Å
620S89.1Confident93.4Very high53 Ų5349.1 Ų49.137%0.37122%0.223SC..Hα-helixtrans-64.1-20.5176.1-56.80000113.2F616 R624F616-S620 PolarHBondContact O-N 2.96Å; S620-R624 WeakPolarHBondContact O-CG 3.46Å; S620-R624 PolarHBondContact O-N 2.87Å; S620-R624 VanDerWaalsContact O-N 3.09Å
621E90Very high93.6Very high66 Ų6649.2 Ų49.231%0.30822%0.224SC..Hα-helixtrans-78.1-35.5179.9-172.666.117900111.1D619 L623 R624 R625D619-E621 PolarHBondContact O-N 3.15Å; D619-E621 WeakPolarHBondContact OD1-CB 3.41Å; D619-E621 PolarHBondContact OD1-N 3.42Å; E621-L623 VanDerWaalsContact C-N 3.3Å; E621-L623 PolarHBondContact O-N 3.43Å; E621-R624 PolarHBondContact O-N 2.92Å; E621-R624 IonicContact OE2-CZ 2.99Å; E621-R624 IonicContact OE2-NH1 3.47Å; E621-R624 PolarHBondContact OE2-NH1 2.97Å; E621-R625 HydrophobicContact CG-CG 4.21Å; E621-R625 WeakPolarHBondContact O-CB 3.45Å; E621-R625 WeakPolarHBondContact O-CG 3.16Å; E621-R625 PolarHBondContact O-N 2.94Å; E621-R625 IonicContact OE1-CZ 3.14Å; E621-R625 IonicContact OE1-NE 2.87Å; E621-R625 PolarHBondContact OE1-NE 3.42Å; E621-R625 IonicContact OE1-NH2 2.74Å; E621-R625 PolarHBondContact OE1-NH2 3.27Å
622L92.9Very high93.8Very high14 Ų1449.1 Ų49.17%0.07322%0.223CC..Hα-helixtrans-56.2-47.1169.4-179.370.1000110.9S523 L615 F616 D619 R624 R625 R626 G627 I630S523-L622 WeakPolarHBondContact OG-CD2 3.32Å; L615-L622 HydrophobicContact CD2-CD2 3.53Å; L615-L622 HydrophobicContact CG-CD2 3.8Å; F616-L622 HydrophobicContact CD1-CD2 4.11Å; F616-L622 HydrophobicContact CD1-CG 4.36Å; F616-L622 HydrophobicContact CE1-CD2 4.01Å; F616-L622 HydrophobicContact CE1-CG 4.14Å; D619-L622 HydrophobicContact CB-CB 4.16Å; D619-L622 PolarHBondContact O-N 3.44Å; D619-L622 PolarHBondContact OD1-N 2.72Å; L622-R624 PolarHBondContact O-N 3.38Å; L622-R625 PolarHBondContact O-N 3.02Å; L622-R626 HydrophobicContact CD1-CB 4.3Å; L622-R626 WeakPolarHBondContact O-CA 3.27Å; L622-R626 PolarHBondContact O-N 3.03Å; L622-G627 PolarHBondContact O-N 3.44Å; L622-I630 HydrophobicContact CD1-CD1 4.43Å; L622-I630 HydrophobicContact CG-CD1 4.49Å
623L93.7Very high93.9Very high1 Ų150 Ų501%0.00523%0.228CC..Hα-helixtrans-60.1-45176.417764.2000111.6F616 E621 G627 I631 V662 L663 A666F616-L623 HydrophobicContact CB-CB 4.21Å; F616-L623 HydrophobicContact CB-CD2 4.42Å; F616-L623 HydrophobicContact CD1-CB 3.83Å; F616-L623 HydrophobicContact CD1-CD1 4.22Å; F616-L623 HydrophobicContact CD2-CD1 3.96Å; F616-L623 HydrophobicContact CE1-CB 4.41Å; F616-L623 HydrophobicContact CE1-CD1 4.39Å; F616-L623 HydrophobicContact CE2-CD1 4.12Å; F616-L623 HydrophobicContact CG-CB 4.08Å; F616-L623 HydrophobicContact CG-CD1 4.01Å; F616-L623 HydrophobicContact CG-CG 4.49Å; F616-L623 HydrophobicContact CZ-CD1 4.34Å; E621-L623 VanDerWaalsContact C-N 3.3Å; E621-L623 PolarHBondContact O-N 3.43Å; L623-G627 WeakPolarHBondContact O-CA 3.24Å; L623-G627 PolarHBondContact O-N 3.14Å; L623-I631 HydrophobicContact CD1-CD1 4.44Å; L623-V662 HydrophobicContact CD2-CB 4.22Å; L623-V662 HydrophobicContact CD2-CG1 3.85Å; L623-V662 HydrophobicContact CG-CG1 4.47Å; L623-L663 HydrophobicContact CD1-CD1 3.81Å; L623-L663 HydrophobicContact CD2-CB 4.05Å; L623-L663 HydrophobicContact CD2-CD1 4.27Å; L623-A666 HydrophobicContact CD1-CB 4.23Å
624R91.1Very high94Very high170 Ų17049.9 Ų49.964%0.64223%0.228SC*.Hα-helixtrans-68.3-39.6-179.5-74.3176.970.8-139.47.7113.4S620 E621 L622 V662S620-R624 WeakPolarHBondContact O-CG 3.46Å; S620-R624 PolarHBondContact O-N 2.87Å; S620-R624 VanDerWaalsContact O-N 3.09Å; E621-R624 PolarHBondContact O-N 2.92Å; E621-R624 IonicContact OE2-CZ 2.99Å; E621-R624 IonicContact OE2-NH1 3.47Å; E621-R624 PolarHBondContact OE2-NH1 2.97Å; L622-R624 PolarHBondContact O-N 3.38Å; R624-V662 HydrophobicContact CG-CG1 4.35Å
625R91.6Very high94.1Very high191 Ų19146.8 Ų46.872%0.72121%0.214SC*.Hα-helixtrans-82.2-41.3-176.7-70.5-172.7-175.4170.49.5113.3E621 L622E621-R625 HydrophobicContact CG-CG 4.21Å; E621-R625 WeakPolarHBondContact O-CB 3.45Å; E621-R625 WeakPolarHBondContact O-CG 3.16Å; E621-R625 PolarHBondContact O-N 2.94Å; E621-R625 IonicContact OE1-CZ 3.14Å; E621-R625 IonicContact OE1-NE 2.87Å; E621-R625 PolarHBondContact OE1-NE 3.42Å; E621-R625 IonicContact OE1-NH2 2.74Å; E621-R625 PolarHBondContact OE1-NH2 3.27Å; L622-R625 PolarHBondContact O-N 3.02Å
626R93.3Very high94.2Very high46 Ų4651.4 Ų51.417%0.17423%0.234CC..Hα-helixtrans-125.6-7-167.7-67.5-179.6169.4-74.3-6.2113.7P525 D527 L622 D628 M629 I630P525-R626 PolarHBondContact O-NH2 3.45Å; D527-R626 IonicContact OD1-CZ 2.84Å; D527-R626 IonicContact OD1-NH1 2.59Å; D527-R626 PolarHBondContact OD1-NH1 2.7Å; D527-R626 IonicContact OD1-NH2 2.77Å; D527-R626 PolarHBondContact OD1-NH2 2.88Å; L622-R626 HydrophobicContact CD1-CB 4.3Å; L622-R626 WeakPolarHBondContact O-CA 3.27Å; L622-R626 PolarHBondContact O-N 3.03Å; R626-D628 VanDerWaalsContact C-N 3.28Å; R626-D628 PolarHBondContact O-N 3.18Å; R626-M629 PolarHBondContact O-N 3.48Å; R626-I630 HydrophobicContact CB-CD1 3.8Å; R626-I630 HydrophobicContact CB-CG1 4.37Å; R626-I630 VanDerWaalsContact O-CG1 3.31Å; R626-I630 WeakPolarHBondContact O-CG1 3.31Å; R626-I630 PolarHBondContact O-N 3.34Å
627G93.4Very high94.1Very high0 Ų053.1 Ų53.10%025%0.245CC..Hα-helixtrans-57.1-38.8-177.100000113.6L622 L623 M629 I630 I631L622-G627 PolarHBondContact O-N 3.44Å; L623-G627 WeakPolarHBondContact O-CA 3.24Å; L623-G627 PolarHBondContact O-N 3.14Å; G627-M629 PolarHBondContact O-N 3.48Å; G627-I630 PolarHBondContact O-N 2.98Å; G627-I631 VanDerWaalsContact O-CB 3.32Å; G627-I631 WeakPolarHBondContact O-CB 3.49Å; G627-I631 VanDerWaalsContact O-CG1 3.31Å; G627-I631 WeakPolarHBondContact O-CG1 3.45Å; G627-I631 PolarHBondContact O-N 2.95Å
628D93.8Very high94.2Very high50 Ų5051.9 Ų51.927%0.26724%0.238SC..Hα-helixtrans-60.9-47.4177.9-75.59.4000111.6R626 T632 R669 I670R626-D628 VanDerWaalsContact C-N 3.28Å; R626-D628 PolarHBondContact O-N 3.18Å; D628-T632 WeakPolarHBondContact O-CB 3.31Å; D628-T632 PolarHBondContact O-N 3.48Å; D628-T632 VanDerWaalsContact O-N 3.08Å; D628-T632 PolarHBondContact O-OG1 3.31Å; D628-R669 IonicContact OD1-CZ 2.82Å; D628-R669 IonicContact OD1-NE 3.53Å; D628-R669 PolarHBondContact OD1-NE 3.05Å; D628-R669 IonicContact OD1-NH2 3.48Å; D628-R669 PolarHBondContact OD1-NH2 3.17Å; D628-R669 IonicContact OD2-CZ 3.64Å; D628-R669 IonicContact OD2-NE 3.58Å; D628-R669 PolarHBondContact OD2-NE 3.38Å; D628-R669 IonicContact OD2-NH2 3.66Å; D628-R669 PolarHBondContact OD2-NH2 3.39Å; D628-I670 HydrophobicContact CB-CG1 4.45Å
629M95.4Very high94.2Very high39 Ų3945.2 Ų45.219%0.19222%0.216CC..Hα-helixtrans-64.3-50.9176.8-174.1-175.171.900111.2D527 V530 H531 R626 G627 I631 T632 D633D527-M629 HydrophobicContact CB-SD 4.17Å; V530-M629 HydrophobicContact CB-CE 3.69Å; V530-M629 HydrophobicContact CG1-CE 3.5Å; V530-M629 HydrophobicContact CG2-CE 4.23Å; H531-M629 WeakPolarHBondContact CE1-CG 3.35Å; H531-M629 VanDerWaalsContact CE1-SD 3.54Å; H531-M629 PolarHBondContact NE2-SD 2.85Å; R626-M629 PolarHBondContact O-N 3.48Å; G627-M629 PolarHBondContact O-N 3.48Å; M629-I631 PolarHBondContact O-N 3.07Å; M629-T632 PolarHBondContact O-N 3.3Å; M629-D633 VanDerWaalsContact O-CG 3.29Å; M629-D633 PolarHBondContact O-N 2.9Å
630I97.7Very high94.4Very high0 Ų042.7 Ų42.70%020%0.204CC..Hα-helixtrans-60.1-49.8-175.8-66.9162.8000111.3V522 V530 I534 L612 F616 L622 R626 G627 D633 L634V522-I630 HydrophobicContact CG1-CD1 3.58Å; V522-I630 HydrophobicContact CG1-CG1 4.01Å; V522-I630 HydrophobicContact CG1-CG2 4.11Å; V530-I630 HydrophobicContact CG1-CG1 3.87Å; I534-I630 HydrophobicContact CD1-CB 4.1Å; I534-I630 HydrophobicContact CD1-CG1 4.15Å; I534-I630 HydrophobicContact CD1-CG2 3.9Å; L612-I630 HydrophobicContact CD1-CG2 4.36Å; L612-I630 HydrophobicContact CD2-CG2 4.18Å; F616-I630 HydrophobicContact CE1-CD1 4.12Å; F616-I630 HydrophobicContact CZ-CB 4.38Å; F616-I630 HydrophobicContact CZ-CD1 4.21Å; F616-I630 HydrophobicContact CZ-CG2 4.01Å; L622-I630 HydrophobicContact CD1-CD1 4.43Å; L622-I630 HydrophobicContact CG-CD1 4.49Å; R626-I630 HydrophobicContact CB-CD1 3.8Å; R626-I630 HydrophobicContact CB-CG1 4.37Å; R626-I630 VanDerWaalsContact O-CG1 3.31Å; R626-I630 WeakPolarHBondContact O-CG1 3.31Å; R626-I630 PolarHBondContact O-N 3.34Å; G627-I630 PolarHBondContact O-N 2.98Å; I630-D633 PolarHBondContact O-N 3.12Å; I630-L634 HydrophobicContact CG2-CD1 3.85Å; I630-L634 WeakPolarHBondContact O-CB 3.28Å; I630-L634 VanDerWaalsContact O-CG 3.24Å; I630-L634 WeakPolarHBondContact O-CG 3.47Å; I630-L634 PolarHBondContact O-N 3.24Å
631I97.9Very high94.5Very high6 Ų643.5 Ų43.53%0.03120%0.204CC..Hα-helixtrans-69.6-36.3-177.9-65.8167.1000110.5F616 L623 G627 M629 L634 C635 L663 L667 I670F616-I631 HydrophobicContact CE2-CD1 4.38Å; F616-I631 HydrophobicContact CE2-CG1 4.34Å; L623-I631 HydrophobicContact CD1-CD1 4.44Å; G627-I631 VanDerWaalsContact O-CB 3.32Å; G627-I631 WeakPolarHBondContact O-CB 3.49Å; G627-I631 VanDerWaalsContact O-CG1 3.31Å; G627-I631 WeakPolarHBondContact O-CG1 3.45Å; G627-I631 PolarHBondContact O-N 2.95Å; M629-I631 PolarHBondContact O-N 3.07Å; I631-L634 PolarHBondContact O-N 3.34Å; I631-C635 PolarHBondContact O-N 3.05Å; I631-C635 PolarHBondContact O-SG 3.39Å; I631-L663 HydrophobicContact CD1-CD1 4.33Å; I631-L667 HydrophobicContact CD1-CD2 4.15Å; I631-L667 HydrophobicContact CG2-CD2 3.94Å; I631-I670 HydrophobicContact CB-CD1 3.53Å; I631-I670 HydrophobicContact CD1-CD1 3.91Å; I631-I670 HydrophobicContact CG1-CD1 4.3Å; I631-I670 HydrophobicContact CG2-CD1 3.58Å; I631-I670 HydrophobicContact CG2-CG2 4.3Å
632T97.4Very high94.7Very high13 Ų1341.4 Ų41.48%0.0820%0.196CC..Hα-helixtrans-62.9-46.9176.3-59.70000111.2D628 M629 L634 C635 Q636 Q674 V676D628-T632 WeakPolarHBondContact O-CB 3.31Å; D628-T632 PolarHBondContact O-N 3.48Å; D628-T632 VanDerWaalsContact O-N 3.08Å; D628-T632 PolarHBondContact O-OG1 3.31Å; M629-T632 PolarHBondContact O-N 3.3Å; T632-L634 PolarHBondContact O-N 3.04Å; T632-C635 WeakPolarHBondContact O-CB 3.35Å; T632-C635 PolarHBondContact O-N 2.77Å; T632-Q636 PolarHBondContact O-N 3.37Å; T632-Q674 HydrophobicContact CG2-CB 4.35Å; T632-Q674 HydrophobicContact CG2-CG 4.26Å; T632-Q674 WeakPolarHBondContact OG1-CG 3.47Å; T632-V676 HydrophobicContact CG2-CG2 4.21Å
633D98Very high94.8Very high23 Ų2340.9 Ų40.912%0.12319%0.193CC..Hα-helixtrans-62.9-42.4176.5-70.1-10.8000111.7H531 I534 M629 I630 C635 Q636 V637H531-D633 IonicContact CE1-OD1 3.71Å; H531-D633 IonicContact CE1-OD2 3.44Å; H531-D633 PolarHBondContact CE1-OD2 3Å; H531-D633 IonicContact CG-OD2 3.89Å; H531-D633 VanDerWaalsContact ND1-CG 3.34Å; H531-D633 IonicContact ND1-OD1 2.76Å; H531-D633 PolarHBondContact ND1-OD1 3.35Å; H531-D633 IonicContact ND1-OD2 2.88Å; H531-D633 PolarHBondContact ND1-OD2 3.21Å; I534-D633 HydrophobicContact CB-CB 4.18Å; I534-D633 HydrophobicContact CD1-CB 3.88Å; I534-D633 HydrophobicContact CG2-CB 3.61Å; M629-D633 VanDerWaalsContact O-CG 3.29Å; M629-D633 PolarHBondContact O-N 2.9Å; I630-D633 PolarHBondContact O-N 3.12Å; D633-C635 VanDerWaalsContact C-N 3.29Å; D633-C635 PolarHBondContact O-N 2.81Å; D633-Q636 WeakPolarHBondContact O-CB 3.49Å; D633-Q636 PolarHBondContact O-N 3.36Å; D633-Q636 VanDerWaalsContact O-N 3.08Å; D633-V637 WeakPolarHBondContact O-CG1 3.29Å; D633-V637 WeakPolarHBondContact O-CG2 3.44Å; D633-V637 PolarHBondContact O-N 2.98Å
634L97.8Very high95Very high1 Ų140.8 Ų40.81%0.00519%0.193CC..Hα-helixtrans-59.7-41.9175.9-75.2166.7000111.3I534 F608 L609 L612 I630 I631 T632 Q636 V637 L638 V643I534-L634 HydrophobicContact CG2-CD2 3.8Å; I534-L634 HydrophobicContact CG2-CG 3.95Å; F608-L634 HydrophobicContact CE1-CD1 4.42Å; F608-L634 HydrophobicContact CE1-CD2 3.85Å; L609-L634 HydrophobicContact CD2-CD1 4.21Å; L612-L634 HydrophobicContact CD2-CD1 3.32Å; I630-L634 HydrophobicContact CG2-CD1 3.85Å; I630-L634 WeakPolarHBondContact O-CB 3.28Å; I630-L634 VanDerWaalsContact O-CG 3.24Å; I630-L634 WeakPolarHBondContact O-CG 3.47Å; I630-L634 PolarHBondContact O-N 3.24Å; I631-L634 PolarHBondContact O-N 3.34Å; T632-L634 PolarHBondContact O-N 3.04Å; L634-Q636 VanDerWaalsContact C-N 3.29Å; L634-Q636 PolarHBondContact O-N 3.37Å; L634-V637 PolarHBondContact O-N 3.05Å; L634-L638 HydrophobicContact CD2-CD1 3.8Å; L634-L638 VanDerWaalsContact O-CB 3.3Å; L634-L638 WeakPolarHBondContact O-CB 3.41Å; L634-L638 PolarHBondContact O-N 3Å; L634-V643 HydrophobicContact CB-CG2 4.03Å
635C97.1Very high95.1Very high5 Ų534 Ų343%0.03417%0.171CC..Hα-helixtrans-64.4-36.4175.3-67.90000112.1I631 T632 D633 G639 A640 L677I631-C635 PolarHBondContact O-N 3.05Å; I631-C635 PolarHBondContact O-SG 3.39Å; T632-C635 WeakPolarHBondContact O-CB 3.35Å; T632-C635 PolarHBondContact O-N 2.77Å; D633-C635 VanDerWaalsContact C-N 3.29Å; D633-C635 PolarHBondContact O-N 2.81Å; C635-G639 CarbonylContact O-C 3.58Å; C635-G639 VanDerWaalsContact O-CA 3.24Å; C635-G639 WeakPolarHBondContact O-CA 3.48Å; C635-G639 PolarHBondContact O-N 3.28Å; C635-G639 VanDerWaalsContact O-N 3.11Å; C635-A640 HydrophobicContact CB-CB 4.18Å; C635-A640 PolarHBondContact O-N 3.3Å; C635-L677 HydrophobicContact CB-CD1 3.98Å
636Q95.8Very high95.2Very high129 Ų12925 Ų2560%0.60314%0.138SC*.Hα-helixtrans-68.1-39.1177.2-178170.7-24.600112.2T632 D633 L634 V676T632-Q636 PolarHBondContact O-N 3.37Å; D633-Q636 WeakPolarHBondContact O-CB 3.49Å; D633-Q636 PolarHBondContact O-N 3.36Å; D633-Q636 VanDerWaalsContact O-N 3.08Å; L634-Q636 VanDerWaalsContact C-N 3.29Å; L634-Q636 PolarHBondContact O-N 3.37Å; Q636-V676 HydrophobicContact CB-CG1 4.02Å
637V94.6Very high95.3Very high39 Ų3923.3 Ų23.324%0.23613%0.132CC..Hα-helixtrans-93.8-31.8-174.1-54.10000114.1I534 H542 D633 L634I534-V637 HydrophobicContact CG2-CG2 3.85Å; H542-V637 PolarHBondContact CE1-O 2.98Å; H542-V637 VanDerWaalsContact CE1-O 3.23Å; D633-V637 WeakPolarHBondContact O-CG1 3.29Å; D633-V637 WeakPolarHBondContact O-CG2 3.44Å; D633-V637 PolarHBondContact O-N 2.98Å; L634-V637 PolarHBondContact O-N 3.05Å
638L93.4Very high95.4Very high15 Ų1523.3 Ų23.38%0.07913%0.132CC..Hα-helixtrans-102.8-15.4-179.3-59.7176000113.7S541 L609 L634 V643S541-L638 WeakPolarHBondContact OG-CD2 3.32Å; L609-L638 HydrophobicContact CD1-CD1 4.47Å; L609-L638 HydrophobicContact CD2-CD1 4.37Å; L634-L638 HydrophobicContact CD2-CD1 3.8Å; L634-L638 VanDerWaalsContact O-CB 3.3Å; L634-L638 WeakPolarHBondContact O-CB 3.41Å; L634-L638 PolarHBondContact O-N 3Å; L638-V643 HydrophobicContact CB-CG2 3.91Å; L638-V643 HydrophobicContact CD1-CG2 4.11Å
639G93.1Very high95.4Very high23 Ų2321.3 Ų21.324%0.23712%0.121CC..  trans91.2134.4-169.100000112.6C635 D641 T642 V643C635-G639 CarbonylContact O-C 3.58Å; C635-G639 VanDerWaalsContact O-CA 3.24Å; C635-G639 WeakPolarHBondContact O-CA 3.48Å; C635-G639 PolarHBondContact O-N 3.28Å; C635-G639 VanDerWaalsContact O-N 3.11Å; G639-D641 VanDerWaalsContact C-N 3.31Å; G639-D641 PolarHBondContact O-N 3.13Å; G639-T642 PolarHBondContact O-N 2.91Å; G639-V643 WeakPolarHBondContact O-CG2 3.41Å; G639-V643 PolarHBondContact O-N 2.9Å; G639-V643 VanDerWaalsContact O-N 3.09Å
640A94.7Very high95.4Very high12 Ų1219.4 Ų19.410%0.09911%0.112CC..Hα-helixtrans-64.1-34.9-177.300000112.9C635 Y644 L677 F680C635-A640 HydrophobicContact CB-CB 4.18Å; C635-A640 PolarHBondContact O-N 3.3Å; A640-Y644 VanDerWaalsContact O-CB 3.31Å; A640-Y644 WeakPolarHBondContact O-CB 3.45Å; A640-Y644 VanDerWaalsContact O-CD2 3.29Å; A640-Y644 WeakPolarHBondContact O-CD2 3.31Å; A640-Y644 PolarHBondContact O-N 3.35Å; A640-L677 HydrophobicContact CB-CG 4.23Å; A640-F680 HydrophobicContact CB-CB 3.85Å; A640-F680 HydrophobicContact CB-CD1 4.06Å; A640-F680 HydrophobicContact CB-CD2 4.03Å; A640-F680 HydrophobicContact CB-CG 3.72Å
641D92.9Very high95.2Very high70 Ų7019.4 Ų19.437%0.37411%0.112SC..Hα-helixtrans-60.3-47.9174.962.6-45.1000111.4G639 C645 F680G639-D641 VanDerWaalsContact C-N 3.31Å; G639-D641 PolarHBondContact O-N 3.13Å; D641-C645 WeakPolarHBondContact O-CB 3.16Å; D641-C645 PolarHBondContact O-N 2.94Å; D641-F680 HydrophobicContact CB-CE2 4.18Å
642T92.3Very high94.9Very high23 Ų2320.4 Ų20.414%0.14112%0.12CC..Hα-helixtrans-63.8-47.3179.1-65.40000111.2P601 G639 T646P601-T642 HydrophobicContact CB-CG2 3.79Å; P601-T642 HydrophobicContact CG-CG2 4.22Å; G639-T642 PolarHBondContact O-N 2.91Å; T642-T646 WeakPolarHBondContact O-CB 3.31Å; T642-T646 PolarHBondContact O-N 2.92Å; T642-T646 PolarHBondContact O-OG1 2.87Å
643V95.9Very high94.5Very high2 Ų224 Ų241%0.01213%0.132CC..Hα-helixtrans-64.7-54.1-179.2175.80000110.9L634 L638 G639 T646 V647L634-V643 HydrophobicContact CB-CG2 4.03Å; L638-V643 HydrophobicContact CB-CG2 3.91Å; L638-V643 HydrophobicContact CD1-CG2 4.11Å; G639-V643 WeakPolarHBondContact O-CG2 3.41Å; G639-V643 PolarHBondContact O-N 2.9Å; G639-V643 VanDerWaalsContact O-N 3.09Å; V643-T646 PolarHBondContact O-N 2.93Å; V643-V647 HydrophobicContact CG1-CG2 4.21Å; V643-V647 VanDerWaalsContact O-CB 3.27Å; V643-V647 WeakPolarHBondContact O-CB 3.42Å; V643-V647 VanDerWaalsContact O-CG2 3.24Å; V643-V647 WeakPolarHBondContact O-CG2 3.43Å; V643-V647 PolarHBondContact O-N 2.59Å
644Y97.2Very high94Very high0 Ų024.2 Ų24.20%013%0.133CC..Hα-helixtrans-65.7-43.3-177.2-83.1-109.6000111.4A640 T646 S648 L667 L671 L677 F680 L699 W703A640-Y644 VanDerWaalsContact O-CB 3.31Å; A640-Y644 WeakPolarHBondContact O-CB 3.45Å; A640-Y644 VanDerWaalsContact O-CD2 3.29Å; A640-Y644 WeakPolarHBondContact O-CD2 3.31Å; A640-Y644 PolarHBondContact O-N 3.35Å; Y644-T646 PolarHBondContact O-N 2.67Å; Y644-S648 WeakPolarHBondContact O-CB 3.49Å; Y644-S648 PolarHBondContact O-N 3.18Å; Y644-S648 PolarHBondContact O-OG 3.5Å; Y644-L667 HydrophobicContact CE1-CB 4.11Å; Y644-L667 HydrophobicContact CE1-CD2 4.15Å; Y644-L667 HydrophobicContact CE2-CD2 4.43Å; Y644-L667 PolarHBondContact OH-O 2.86Å; Y644-L671 HydrophobicContact CE1-CB 3.99Å; Y644-L671 HydrophobicContact CE1-CD1 4.49Å; Y644-L671 HydrophobicContact CE1-CD2 4.42Å; Y644-L671 PolarHBondContact OH-N 3.05Å; Y644-L677 HydrophobicContact CE2-CD2 3.58Å; Y644-L677 VanDerWaalsContact OH-CD2 3.31Å; Y644-L677 WeakPolarHBondContact OH-CD2 3.4Å; Y644-F680 AromaticContact CD1-CE1 3.96Å; Y644-F680 HydrophobicContact CD1-CE1 3.96Å; Y644-F680 HydrophobicContact CD2-CE1 4.07Å; Y644-F680 HydrophobicContact CE1-CE1 4.48Å; Y644-F680 AromaticContact CG-CE1 3.74Å; Y644-F680 HydrophobicContact CG-CE1 3.74Å; Y644-F680 HydrophobicContact CG-CZ 4.07Å; Y644-L699 HydrophobicContact CD1-CD2 4.26Å; Y644-W703 AromaticContact CD1-CH2 3.61Å; Y644-W703 HydrophobicContact CD1-CH2 3.61Å; Y644-W703 HydrophobicContact CD1-CZ2 4.08Å; Y644-W703 AromaticContact CE1-CH2 3.74Å; Y644-W703 HydrophobicContact CE1-CH2 3.74Å; Y644-W703 AromaticContact CE1-CZ2 3.87Å; Y644-W703 HydrophobicContact CE1-CZ2 3.87Å
645C94.1Very high93.2Very high28 Ų2828.8 Ų28.819%0.18915%0.153CC..Hα-helixtrans-57.9-49.3176.4-176.80000111.6D641 T649 L695 K698D641-C645 WeakPolarHBondContact O-CB 3.16Å; D641-C645 PolarHBondContact O-N 2.94Å; C645-T649 WeakPolarHBondContact O-CB 3.49Å; C645-T649 PolarHBondContact O-N 2.7Å; C645-T649 PolarHBondContact O-OG1 3.06Å; C645-L695 HydrophobicContact CB-CD1 3.54Å; C645-K698 VanDerWaalsContact SG-CD 3.53Å
646T93Very high92.5Very high2 Ų232.5 Ų32.51%0.01218%0.177CC..Hα-helixtrans-69.9-49.1-174.6-56.70000110.9L567 L606 L609 T642 V643 Y644 S648 T649 I650L567-T646 HydrophobicContact CD2-CG2 4.34Å; L606-T646 HydrophobicContact CD2-CG2 3.46Å; L606-T646 VanDerWaalsContact CD2-CG2 3.46Å; L609-T646 HydrophobicContact CB-CG2 4.13Å; L609-T646 HydrophobicContact CD1-CG2 3.7Å; T642-T646 WeakPolarHBondContact O-CB 3.31Å; T642-T646 PolarHBondContact O-N 2.92Å; T642-T646 PolarHBondContact O-OG1 2.87Å; V643-T646 PolarHBondContact O-N 2.93Å; Y644-T646 PolarHBondContact O-N 2.67Å; T646-S648 PolarHBondContact O-N 3.38Å; T646-T649 WeakPolarHBondContact O-CB 2.97Å; T646-T649 PolarHBondContact O-N 2.93Å; T646-T649 VanDerWaalsContact O-N 3.14Å; T646-I650 HydrophobicContact CG2-CD1 3.71Å; T646-I650 HydrophobicContact CG2-CG1 4.41Å; T646-I650 VanDerWaalsContact O-CG1 3.28Å; T646-I650 WeakPolarHBondContact O-CG1 3.44Å; T646-I650 PolarHBondContact O-N 3.29Å
647V96Very high92.1Very high10 Ų1027 Ų276%0.06115%0.152CC..Hα-helixtrans-62.7-41.6179.31740000111L609 V613 V643 T649 I650 I651 L667L609-V647 HydrophobicContact CD2-CG2 4.43Å; V613-V647 HydrophobicContact CG2-CG1 4.04Å; V613-V647 HydrophobicContact CG2-CG2 4.4Å; V643-V647 HydrophobicContact CG1-CG2 4.21Å; V643-V647 VanDerWaalsContact O-CB 3.27Å; V643-V647 WeakPolarHBondContact O-CB 3.42Å; V643-V647 VanDerWaalsContact O-CG2 3.24Å; V643-V647 WeakPolarHBondContact O-CG2 3.43Å; V643-V647 PolarHBondContact O-N 2.59Å; V647-T649 VanDerWaalsContact C-N 3.31Å; V647-T649 PolarHBondContact O-N 2.9Å; V647-I650 PolarHBondContact O-N 3.09Å; V647-I651 HydrophobicContact CG1-CD1 3.72Å; V647-I651 HydrophobicContact CG1-CG1 4.25Å; V647-I651 WeakPolarHBondContact O-CB 3.29Å; V647-I651 VanDerWaalsContact O-CG1 3.25Å; V647-I651 WeakPolarHBondContact O-CG1 3.31Å; V647-I651 PolarHBondContact O-N 3.4Å; V647-L667 HydrophobicContact CG1-CD1 3.79Å
648S96Very high91.7Very high0 Ų029.2 Ų29.20%016%0.159CC..Hα-helixtrans-61.4-39.1174.3-70.10000112.9Y644 T646 S652 K698 W703Y644-S648 WeakPolarHBondContact O-CB 3.49Å; Y644-S648 PolarHBondContact O-N 3.18Å; Y644-S648 PolarHBondContact O-OG 3.5Å; T646-S648 PolarHBondContact O-N 3.38Å; S648-S652 WeakPolarHBondContact O-CB 3.16Å; S648-S652 PolarHBondContact O-N 3.24Å; S648-S652 VanDerWaalsContact O-N 3.1Å; S648-S652 PolarHBondContact O-OG 3.1Å; S648-K698 WeakPolarHBondContact CB-O 3.24Å; S648-W703 VanDerWaalsContact OG-CZ3 3.28Å; S648-W703 WeakPolarHBondContact OG-CZ3 3.48Å
649T93.8Very high91.5Very high7 Ų728.6 Ų28.64%0.04316%0.156CC..Hα-helixtrans-66.5-43176.3-52.60000110.7L563 L566 L567 C645 T646 V647 S652 Y653L563-T649 HydrophobicContact CD1-CG2 3.83Å; L566-T649 HydrophobicContact CB-CG2 3.55Å; L566-T649 HydrophobicContact CD1-CG2 4.36Å; L567-T649 HydrophobicContact CD2-CG2 3.94Å; L567-T649 HydrophobicContact CG-CG2 4.14Å; C645-T649 WeakPolarHBondContact O-CB 3.49Å; C645-T649 PolarHBondContact O-N 2.7Å; C645-T649 PolarHBondContact O-OG1 3.06Å; T646-T649 WeakPolarHBondContact O-CB 2.97Å; T646-T649 PolarHBondContact O-N 2.93Å; T646-T649 VanDerWaalsContact O-N 3.14Å; V647-T649 VanDerWaalsContact C-N 3.31Å; V647-T649 PolarHBondContact O-N 2.9Å; T649-S652 PolarHBondContact O-N 2.85Å; T649-Y653 WeakPolarHBondContact O-CB 3.45Å; T649-Y653 PolarHBondContact O-N 2.87Å
650I93.9Very high91.5Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-63-47.2177.1-67.5160.6000111.2L563 L609 L610 V613 T646 V647 S652 Y653 I654L563-I650 HydrophobicContact CD1-CG1 4.11Å; L563-I650 HydrophobicContact CD2-CG1 4.01Å; L609-I650 HydrophobicContact CB-CD1 4.02Å; L610-I650 HydrophobicContact CB-CD1 4.21Å; L610-I650 HydrophobicContact CD1-CG1 4.49Å; L610-I650 HydrophobicContact CD1-CG2 3.77Å; V613-I650 HydrophobicContact CB-CG2 3.89Å; V613-I650 HydrophobicContact CG1-CG2 3.86Å; V613-I650 HydrophobicContact CG2-CG2 4.06Å; T646-I650 HydrophobicContact CG2-CD1 3.71Å; T646-I650 HydrophobicContact CG2-CG1 4.41Å; T646-I650 VanDerWaalsContact O-CG1 3.28Å; T646-I650 WeakPolarHBondContact O-CG1 3.44Å; T646-I650 PolarHBondContact O-N 3.29Å; V647-I650 PolarHBondContact O-N 3.09Å; I650-S652 PolarHBondContact O-N 3.45Å; I650-Y653 PolarHBondContact O-N 2.67Å; I650-I654 HydrophobicContact CG2-CD1 3.42Å; I650-I654 VanDerWaalsContact CG2-CD1 3.42Å; I650-I654 HydrophobicContact CG2-CG1 3.99Å; I650-I654 WeakPolarHBondContact O-CG1 3.13Å; I650-I654 PolarHBondContact O-N 3.23Å
651I94.3Very high91.4Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-57.6-40.9177.2-70.8166.4000110.8V647 Y653 L657 L663 V664 L667 A702 F705V647-I651 HydrophobicContact CG1-CD1 3.72Å; V647-I651 HydrophobicContact CG1-CG1 4.25Å; V647-I651 WeakPolarHBondContact O-CB 3.29Å; V647-I651 VanDerWaalsContact O-CG1 3.25Å; V647-I651 WeakPolarHBondContact O-CG1 3.31Å; V647-I651 PolarHBondContact O-N 3.4Å; I651-Y653 VanDerWaalsContact C-N 3.31Å; I651-L657 HydrophobicContact CB-CD2 4.27Å; I651-L657 HydrophobicContact CG1-CD2 3.98Å; I651-L657 HydrophobicContact CG2-CD2 4.14Å; I651-L663 HydrophobicContact CD1-CD2 3.69Å; I651-L663 HydrophobicContact CD1-CG 3.98Å; I651-L663 HydrophobicContact CG1-CD2 3.81Å; I651-V664 HydrophobicContact CD1-CG2 4.3Å; I651-L667 HydrophobicContact CD1-CD1 3.89Å; I651-A702 HydrophobicContact CB-CB 4.19Å; I651-A702 HydrophobicContact CG2-CB 4.05Å; I651-F705 HydrophobicContact CG2-CD2 3.67Å; I651-F705 HydrophobicContact CG2-CE2 3.66Å
652S91.5Very high91.4Very high26 Ų2627 Ų2718%0.18214%0.142CC..Hα-helixtrans-72.5-26.8179.2-580000112.8S648 T649 I650 K655S648-S652 WeakPolarHBondContact O-CB 3.16Å; S648-S652 PolarHBondContact O-N 3.24Å; S648-S652 VanDerWaalsContact O-N 3.1Å; S648-S652 PolarHBondContact O-OG 3.1Å; T649-S652 PolarHBondContact O-N 2.85Å; I650-S652 PolarHBondContact O-N 3.45Å; S652-K655 VanDerWaalsContact O-CE 3.23Å; S652-K655 WeakPolarHBondContact O-CE 3.38Å
653Y89.5Confident91.6Very high88 Ų8826 Ų2635%0.34514%0.136SC..Hα-helixtrans-82.1-46.7179.6172.7-104.2000112.7P560 E562 L563 L566 T649 I650 I651 K655P560-Y653 HydrophobicContact CB-CE1 4.15Å; P560-Y653 VanDerWaalsContact CB-OH 3.27Å; P560-Y653 WeakPolarHBondContact CB-OH 3.3Å; P560-Y653 HydrophobicContact CG-CE1 4.21Å; E562-Y653 HydrophobicContact CB-CD2 4.45Å; E562-Y653 HydrophobicContact CB-CE2 3.68Å; L563-Y653 HydrophobicContact CB-CD1 4.37Å; L563-Y653 HydrophobicContact CB-CE1 4.44Å; L563-Y653 HydrophobicContact CB-CG 4.47Å; L563-Y653 HydrophobicContact CD1-CD1 4.48Å; L563-Y653 HydrophobicContact CD1-CG 4.33Å; L566-Y653 HydrophobicContact CD1-CD2 4.1Å; T649-Y653 WeakPolarHBondContact O-CB 3.45Å; T649-Y653 PolarHBondContact O-N 2.87Å; I650-Y653 PolarHBondContact O-N 2.67Å; I651-Y653 VanDerWaalsContact C-N 3.31Å; Y653-K655 PolarHBondContact O-N 2.99Å
654I86.9Confident91.6Very high29 Ų2926 Ų2615%0.14914%0.135CC..SBendtrans-74.5112.8-178.1-59176000109.5L610 V613 E614 I650 L657L610-I654 HydrophobicContact CD1-CD1 3.81Å; L610-I654 HydrophobicContact CD1-CG1 4.41Å; V613-I654 HydrophobicContact CG1-CD1 4.12Å; E614-I654 HydrophobicContact CG-CD1 4.25Å; I650-I654 HydrophobicContact CG2-CD1 3.42Å; I650-I654 VanDerWaalsContact CG2-CD1 3.42Å; I650-I654 HydrophobicContact CG2-CG1 3.99Å; I650-I654 WeakPolarHBondContact O-CG1 3.13Å; I650-I654 PolarHBondContact O-N 3.23Å; I654-L657 HydrophobicContact CB-CD1 4.42Å; I654-L657 HydrophobicContact CG2-CB 4.23Å; I654-L657 HydrophobicContact CG2-CD1 3.92Å
655K80.7Confident91.5Very high97 Ų9727.9 Ų27.942%0.42214%0.144SC..SBendtrans-135.3128.1174.6-63.6-174.5-178.2-176.60111.1S652 Y653 Y835S652-K655 VanDerWaalsContact O-CE 3.23Å; S652-K655 WeakPolarHBondContact O-CE 3.38Å; Y653-K655 PolarHBondContact O-N 2.99Å; K655-Y835 PolarHBondContact NZ-OH 2.91Å
656P83.2Confident91.6Very high82 Ų8226.6 Ų26.653%0.53214%0.135SC..SBendcis-80.5141.4-3.332.8-33.4000112.8Y846P656-Y846 HydrophobicContact CB-CE2 4.22Å; P656-Y846 HydrophobicContact CG-CE2 4.41Å
657L87.1Confident91.8Very high15 Ų1526.5 Ų26.58%0.07914%0.135CC..  trans-113.1106.6172.7-174.974.1000109.3V613 N617 I651 I654 A660V613-L657 HydrophobicContact CG1-CD1 4.23Å; V613-L657 HydrophobicContact CG1-CD2 4.29Å; N617-L657 HydrophobicContact CB-CD1 3.66Å; N617-L657 VanDerWaalsContact CG-CD1 3.4Å; N617-L657 WeakPolarHBondContact OD1-CD1 3.3Å; I651-L657 HydrophobicContact CB-CD2 4.27Å; I651-L657 HydrophobicContact CG1-CD2 3.98Å; I651-L657 HydrophobicContact CG2-CD2 4.14Å; I654-L657 HydrophobicContact CB-CD1 4.42Å; I654-L657 HydrophobicContact CG2-CB 4.23Å; I654-L657 HydrophobicContact CG2-CD1 3.92Å; L657-A660 HydrophobicContact CB-CB 4.1Å; L657-A660 HydrophobicContact CD2-CB 3.9Å; L657-A660 HydrophobicContact CG-CB 4.07Å; L657-A660 WeakPolarHBondContact O-CB 3.32Å; L657-A660 PolarHBondContact O-N 3.31Å
658E86.8Confident91.9Very high84 Ų8426.8 Ų26.839%0.39314%0.136SC..THydrogen-bonded Turntrans-65.8-42.6-173-67-71.1-166.400113.2N617 A660 Y846 K850N617-E658 PolarHBondContact OD1-N 3.08Å; E658-A660 PolarHBondContact O-N 3.32Å; E658-Y846 VanDerWaalsContact OE1-CE1 3.23Å; E658-Y846 WeakPolarHBondContact OE1-CE1 3.45Å; E658-Y846 PolarHBondContact OE1-OH 2.8Å; E658-Y846 VanDerWaalsContact OE2-CE1 3.31Å; E658-Y846 WeakPolarHBondContact OE2-CE1 3.24Å; E658-K850 WeakPolarHBondContact OE1-CE 3.41Å; E658-K850 IonicContact OE1-NZ 3.91Å; E658-K850 PolarHBondContact OE1-NZ 3.08Å; E658-K850 WeakPolarHBondContact OE2-CE 2.97Å; E658-K850 IonicContact OE2-NZ 3.73Å; E658-K850 PolarHBondContact OE2-NZ 3.3Å
659S88.7Confident91.9Very high2 Ų229 Ų291%0.01414%0.144CC..THydrogen-bonded Turntrans-78.50.6-179.960.10000113.1N617 F661 V662 L663N617-S659 VanDerWaalsContact CA-OG 3.27Å; N617-S659 WeakPolarHBondContact CA-OG 3.31Å; N617-S659 PolarHBondContact OD1-N 3.28Å; N617-S659 PolarHBondContact OD1-OG 3.06Å; S659-F661 VanDerWaalsContact C-N 3.3Å; S659-F661 PolarHBondContact O-N 3Å; S659-V662 PolarHBondContact O-N 3.42Å; S659-L663 WeakPolarHBondContact O-CB 3.45Å; S659-L663 PolarHBondContact O-N 2.9Å
660A92.8Very high92Very high3 Ų328.7 Ų28.73%0.02514%0.142CC..Hα-helixtrans-52.7-45.1-171.400000112.9L657 E658 V662 L663 V664 F705L657-A660 HydrophobicContact CB-CB 4.1Å; L657-A660 HydrophobicContact CD2-CB 3.9Å; L657-A660 HydrophobicContact CG-CB 4.07Å; L657-A660 WeakPolarHBondContact O-CB 3.32Å; L657-A660 PolarHBondContact O-N 3.31Å; E658-A660 PolarHBondContact O-N 3.32Å; A660-V662 PolarHBondContact O-N 2.86Å; A660-L663 PolarHBondContact O-N 2.82Å; A660-V664 WeakPolarHBondContact O-CB 3.4Å; A660-V664 VanDerWaalsContact O-CG2 3.24Å; A660-V664 WeakPolarHBondContact O-CG2 3.25Å; A660-V664 PolarHBondContact O-N 3.26Å; A660-F705 HydrophobicContact CB-CB 4.02Å; A660-F705 HydrophobicContact CB-CD1 3.77Å; A660-F705 HydrophobicContact CB-CD2 4.22Å; A660-F705 HydrophobicContact CB-CE1 4.26Å; A660-F705 HydrophobicContact CB-CG 3.75Å
661F93.3Very high92.1Very high26 Ų2628.7 Ų28.711%0.11414%0.142CC..Hα-helixtrans-58.4-48.8177.7-177.2-83.4000112S659 Q665 F705 N706 E738 T739 D742S659-F661 VanDerWaalsContact C-N 3.3Å; S659-F661 PolarHBondContact O-N 3Å; F661-Q665 VanDerWaalsContact O-CB 3.3Å; F661-Q665 WeakPolarHBondContact O-CB 3.44Å; F661-Q665 PolarHBondContact O-N 3.34Å; F661-F705 WeakPolarHBondContact CD2-O 3.48Å; F661-N706 HydrophobicContact CD2-CB 4Å; F661-N706 HydrophobicContact CE2-CB 4.02Å; F661-N706 WeakPolarHBondContact CZ-ND2 3.5Å; F661-E738 HydrophobicContact CE1-CB 3.72Å; F661-E738 HydrophobicContact CZ-CB 3.86Å; F661-T739 HydrophobicContact CE2-CG2 3.93Å; F661-T739 HydrophobicContact CZ-CG2 4.11Å; F661-D742 WeakPolarHBondContact CZ-OD2 3.5Å
662V93Very high92.2Very high44 Ų4428.8 Ų28.827%0.26714%0.143SC..Hα-helixtrans-72.8-36-176.7-176.70000111.4L623 R624 S659 A660 Q665 A666L623-V662 HydrophobicContact CD2-CB 4.22Å; L623-V662 HydrophobicContact CD2-CG1 3.85Å; L623-V662 HydrophobicContact CG-CG1 4.47Å; R624-V662 HydrophobicContact CG-CG1 4.35Å; S659-V662 PolarHBondContact O-N 3.42Å; A660-V662 PolarHBondContact O-N 2.86Å; V662-Q665 WeakPolarHBondContact O-CB 3.15Å; V662-Q665 PolarHBondContact O-N 2.81Å; V662-A666 WeakPolarHBondContact O-CB 3.44Å; V662-A666 PolarHBondContact O-N 3.19Å
663L95.7Very high92.2Very high2 Ų227.7 Ų27.71%0.0114%0.135CC..Hα-helixtrans-66.9-44.3177.2-178.557.6000111.2V613 F616 L623 I631 I651 S659 A660 A666 L667V613-L663 HydrophobicContact CG1-CD2 3.97Å; V613-L663 HydrophobicContact CG2-CD2 4.29Å; F616-L663 HydrophobicContact CD2-CD1 3.99Å; L623-L663 HydrophobicContact CD1-CD1 3.81Å; L623-L663 HydrophobicContact CD2-CB 4.05Å; L623-L663 HydrophobicContact CD2-CD1 4.27Å; I631-L663 HydrophobicContact CD1-CD1 4.33Å; I651-L663 HydrophobicContact CD1-CD2 3.69Å; I651-L663 HydrophobicContact CD1-CG 3.98Å; I651-L663 HydrophobicContact CG1-CD2 3.81Å; S659-L663 WeakPolarHBondContact O-CB 3.45Å; S659-L663 PolarHBondContact O-N 2.9Å; A660-L663 PolarHBondContact O-N 2.82Å; L663-A666 PolarHBondContact O-N 3.18Å; L663-L667 HydrophobicContact CG-CD1 4.26Å; L663-L667 WeakPolarHBondContact O-CB 3.42Å; L663-L667 VanDerWaalsContact O-CG 3.3Å; L663-L667 WeakPolarHBondContact O-CG 3.34Å; L663-L667 PolarHBondContact O-N 2.96Å
664V96.9Very high92.4Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-64.8-41.6174.1172.20000111I651 A660 A666 L667 N668 A702 W703 F705 N706I651-V664 HydrophobicContact CD1-CG2 4.3Å; A660-V664 WeakPolarHBondContact O-CB 3.4Å; A660-V664 VanDerWaalsContact O-CG2 3.24Å; A660-V664 WeakPolarHBondContact O-CG2 3.25Å; A660-V664 PolarHBondContact O-N 3.26Å; V664-A666 VanDerWaalsContact C-N 3.33Å; V664-A666 PolarHBondContact O-N 3.04Å; V664-L667 PolarHBondContact O-N 2.96Å; V664-N668 VanDerWaalsContact O-CB 3.28Å; V664-N668 WeakPolarHBondContact O-CB 3.48Å; V664-N668 PolarHBondContact O-N 3.04Å; V664-A702 VanDerWaalsContact CG2-O 3.26Å; V664-A702 WeakPolarHBondContact CG2-O 3.31Å; V664-W703 HydrophobicContact CG1-CB 4.33Å; V664-W703 HydrophobicContact CG1-CD2 3.97Å; V664-W703 HydrophobicContact CG1-CE3 4.32Å; V664-W703 HydrophobicContact CG1-CG 3.96Å; V664-F705 HydrophobicContact CG2-CB 4.33Å; V664-N706 HydrophobicContact CB-CB 4.22Å; V664-N706 HydrophobicContact CG1-CB 3.81Å
665Q95.2Very high92.7Very high40 Ų4026.7 Ų26.719%0.18714%0.139CC..Hα-helixtrans-56.7-46.2174.1-173.3-166.633.600111.3F661 V662 N668 R669 D742F661-Q665 VanDerWaalsContact O-CB 3.3Å; F661-Q665 WeakPolarHBondContact O-CB 3.44Å; F661-Q665 PolarHBondContact O-N 3.34Å; V662-Q665 WeakPolarHBondContact O-CB 3.15Å; V662-Q665 PolarHBondContact O-N 2.81Å; Q665-N668 PolarHBondContact O-N 3.24Å; Q665-R669 WeakPolarHBondContact O-CB 3.23Å; Q665-R669 PolarHBondContact O-N 3.23Å; Q665-D742 PolarHBondContact NE2-OD1 2.91Å
666A95.4Very high93.3Very high1 Ų124.9 Ų24.91%0.00814%0.136CC..Hα-helixtrans-64.4-49177.100000112.2L623 V662 L663 V664 N668 R669 I670L623-A666 HydrophobicContact CD1-CB 4.23Å; V662-A666 WeakPolarHBondContact O-CB 3.44Å; V662-A666 PolarHBondContact O-N 3.19Å; L663-A666 PolarHBondContact O-N 3.18Å; V664-A666 VanDerWaalsContact C-N 3.33Å; V664-A666 PolarHBondContact O-N 3.04Å; A666-N668 VanDerWaalsContact C-N 3.25Å; A666-N668 PolarHBondContact O-N 3.5Å; A666-R669 PolarHBondContact O-N 3.16Å; A666-I670 WeakPolarHBondContact O-CB 3.27Å; A666-I670 VanDerWaalsContact O-CG1 3.24Å; A666-I670 WeakPolarHBondContact O-CG1 3.29Å; A666-I670 PolarHBondContact O-N 3.48Å
667L98.1Very high93.9Very high1 Ų121 Ų211%0.00511%0.11CC..Hα-helixtrans-56.9-40.2176.1-72.8166.6000112I631 Y644 V647 I651 L663 V664 L671 W703I631-L667 HydrophobicContact CD1-CD2 4.15Å; I631-L667 HydrophobicContact CG2-CD2 3.94Å; Y644-L667 HydrophobicContact CE1-CB 4.11Å; Y644-L667 HydrophobicContact CE1-CD2 4.15Å; Y644-L667 HydrophobicContact CE2-CD2 4.43Å; Y644-L667 PolarHBondContact OH-O 2.86Å; V647-L667 HydrophobicContact CG1-CD1 3.79Å; I651-L667 HydrophobicContact CD1-CD1 3.89Å; L663-L667 HydrophobicContact CG-CD1 4.26Å; L663-L667 WeakPolarHBondContact O-CB 3.42Å; L663-L667 VanDerWaalsContact O-CG 3.3Å; L663-L667 WeakPolarHBondContact O-CG 3.34Å; L663-L667 PolarHBondContact O-N 2.96Å; V664-L667 PolarHBondContact O-N 2.96Å; L667-L671 WeakPolarHBondContact O-CB 3.46Å; L667-L671 PolarHBondContact O-N 3.11Å; L667-W703 HydrophobicContact CB-CH2 3.55Å; L667-W703 HydrophobicContact CB-CZ2 3.78Å; L667-W703 HydrophobicContact CB-CZ3 4.44Å; L667-W703 HydrophobicContact CD1-CH2 3.78Å; L667-W703 HydrophobicContact CD1-CZ3 3.96Å; L667-W703 HydrophobicContact CG-CH2 4.21Å
668N97Very high94.2Very high15 Ų1524.9 Ų24.98%0.0813%0.128CC..Hα-helixtrans-70.4-43.5178.2-170.263.9000111.9V664 Q665 A666 I670 L671 L672 W703 S709V664-N668 VanDerWaalsContact O-CB 3.28Å; V664-N668 WeakPolarHBondContact O-CB 3.48Å; V664-N668 PolarHBondContact O-N 3.04Å; Q665-N668 PolarHBondContact O-N 3.24Å; A666-N668 VanDerWaalsContact C-N 3.25Å; A666-N668 PolarHBondContact O-N 3.5Å; N668-I670 PolarHBondContact O-N 3.45Å; N668-L671 CarbonylContact O-C 3.47Å; N668-L671 WeakPolarHBondContact O-CB 3.34Å; N668-L671 PolarHBondContact O-N 2.95Å; N668-L672 WeakPolarHBondContact O-CB 3.44Å; N668-L672 VanDerWaalsContact O-CG 3.29Å; N668-L672 WeakPolarHBondContact O-CG 3.43Å; N668-L672 PolarHBondContact O-N 3.06Å; N668-W703 PolarHBondContact OD1-NE1 2.46Å; N668-S709 WeakPolarHBondContact CB-OG 3.23Å
669R95.3Very high94.5Very high47 Ų4726 Ų2618%0.17714%0.137CC..Hα-helixtrans-57.5-48.4173.8177.5175.759.8-99.1-0.8111D628 Q665 A666 L672 T673D628-R669 IonicContact OD1-CZ 2.82Å; D628-R669 IonicContact OD1-NE 3.53Å; D628-R669 PolarHBondContact OD1-NE 3.05Å; D628-R669 IonicContact OD1-NH2 3.48Å; D628-R669 PolarHBondContact OD1-NH2 3.17Å; D628-R669 IonicContact OD2-CZ 3.64Å; D628-R669 IonicContact OD2-NE 3.58Å; D628-R669 PolarHBondContact OD2-NE 3.38Å; D628-R669 IonicContact OD2-NH2 3.66Å; D628-R669 PolarHBondContact OD2-NH2 3.39Å; Q665-R669 WeakPolarHBondContact O-CB 3.23Å; Q665-R669 PolarHBondContact O-N 3.23Å; A666-R669 PolarHBondContact O-N 3.16Å; R669-L672 CarbonylContact O-C 3.41Å; R669-L672 PolarHBondContact O-N 3.34Å; R669-L672 VanDerWaalsContact O-N 3.1Å; R669-T673 HydrophobicContact CG-CG2 4.25Å; R669-T673 WeakPolarHBondContact O-CB 3.15Å; R669-T673 WeakPolarHBondContact O-CG2 3.37Å; R669-T673 PolarHBondContact O-N 3.32Å; R669-T673 PolarHBondContact O-OG1 3.17Å
670I96.1Very high94.9Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-61.7-46.3177.8-66.7167.7000110.5D628 I631 A666 N668 L672 T673 Q674 L677 R681D628-I670 HydrophobicContact CB-CG1 4.45Å; I631-I670 HydrophobicContact CB-CD1 3.53Å; I631-I670 HydrophobicContact CD1-CD1 3.91Å; I631-I670 HydrophobicContact CG1-CD1 4.3Å; I631-I670 HydrophobicContact CG2-CD1 3.58Å; I631-I670 HydrophobicContact CG2-CG2 4.3Å; A666-I670 WeakPolarHBondContact O-CB 3.27Å; A666-I670 VanDerWaalsContact O-CG1 3.24Å; A666-I670 WeakPolarHBondContact O-CG1 3.29Å; A666-I670 PolarHBondContact O-N 3.48Å; N668-I670 PolarHBondContact O-N 3.45Å; I670-L672 PolarHBondContact O-N 3.44Å; I670-L672 VanDerWaalsContact O-N 3.16Å; I670-T673 PolarHBondContact O-N 3.01Å; I670-Q674 HydrophobicContact CB-CG 4.29Å; I670-Q674 HydrophobicContact CG1-CG 4.49Å; I670-Q674 HydrophobicContact CG2-CB 4.21Å; I670-Q674 HydrophobicContact CG2-CG 3.83Å; I670-Q674 PolarHBondContact O-N 3.41Å; I670-L677 HydrophobicContact CG2-CD1 4.19Å; I670-L677 HydrophobicContact CG2-CD2 4.07Å; I670-R681 PolarHBondContact O-NH2 2.91Å
671L97.1Very high95Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans-56.6-31.5175179.361.2000111.8Y644 L667 N668 L677 F680 R681 L684 L713 L716Y644-L671 HydrophobicContact CE1-CB 3.99Å; Y644-L671 HydrophobicContact CE1-CD1 4.49Å; Y644-L671 HydrophobicContact CE1-CD2 4.42Å; Y644-L671 PolarHBondContact OH-N 3.05Å; L667-L671 WeakPolarHBondContact O-CB 3.46Å; L667-L671 PolarHBondContact O-N 3.11Å; N668-L671 CarbonylContact O-C 3.47Å; N668-L671 WeakPolarHBondContact O-CB 3.34Å; N668-L671 PolarHBondContact O-N 2.95Å; L671-L677 HydrophobicContact CB-CD2 4.38Å; L671-L677 HydrophobicContact CD1-CD2 4.04Å; L671-F680 HydrophobicContact CD1-CD1 3.6Å; L671-F680 HydrophobicContact CD1-CE1 3.9Å; L671-R681 HydrophobicContact CD1-CG 4.25Å; L671-R681 PolarHBondContact O-NE 2.87Å; L671-R681 PolarHBondContact O-NH2 3.05Å; L671-L684 HydrophobicContact CD1-CD1 4.01Å; L671-L684 HydrophobicContact CD2-CD1 4.14Å; L671-L713 HydrophobicContact CD2-CD1 4.08Å; L671-L716 HydrophobicContact CD1-CD2 4.4Å; L671-L716 HydrophobicContact CD2-CD2 3.97Å; L671-L716 HydrophobicContact CG-CD2 4.07Å
672L95.1Very high94.9Very high3 Ų330.3 Ų30.32%0.01616%0.155CC..Hα-helixtrans-102.1-3.7-178-61.9176.9000114.3N668 R669 I670 A712 L716 M749 I754 F755N668-L672 WeakPolarHBondContact O-CB 3.44Å; N668-L672 VanDerWaalsContact O-CG 3.29Å; N668-L672 WeakPolarHBondContact O-CG 3.43Å; N668-L672 PolarHBondContact O-N 3.06Å; R669-L672 CarbonylContact O-C 3.41Å; R669-L672 PolarHBondContact O-N 3.34Å; R669-L672 VanDerWaalsContact O-N 3.1Å; I670-L672 PolarHBondContact O-N 3.44Å; I670-L672 VanDerWaalsContact O-N 3.16Å; L672-A712 HydrophobicContact CD1-CB 3.98Å; L672-L716 HydrophobicContact CD2-CD1 4.42Å; L672-L716 HydrophobicContact CD2-CD2 4.11Å; L672-M749 HydrophobicContact CB-CE 3.76Å; L672-M749 WeakPolarHBondContact O-CE 3.42Å; L672-I754 HydrophobicContact CD2-CG2 4.26Å; L672-I754 WeakPolarHBondContact O-CD1 2.96Å; L672-F755 HydrophobicContact CD1-CE2 4.13Å; L672-F755 HydrophobicContact CD1-CZ 4.27Å; L672-F755 HydrophobicContact CD2-CE2 3.84Å; L672-F755 HydrophobicContact CD2-CZ 3.77Å
673T92.4Very high94.9Very high3 Ų332.6 Ų32.62%0.01816%0.162CC..Hα-helixtrans-123.3-40.2-177.255.70000113.4R669 I670 M749 L925R669-T673 HydrophobicContact CG-CG2 4.25Å; R669-T673 WeakPolarHBondContact O-CB 3.15Å; R669-T673 WeakPolarHBondContact O-CG2 3.37Å; R669-T673 PolarHBondContact O-N 3.32Å; R669-T673 PolarHBondContact O-OG1 3.17Å; I670-T673 PolarHBondContact O-N 3.01Å; T673-M749 HydrophobicContact CG2-CE 3.69Å; T673-M749 HydrophobicContact CG2-SD 4.14Å; T673-L925 WeakPolarHBondContact O-CD2 3.38Å
674Q93.4Very high94.7Very high27 Ų2732.7 Ų32.713%0.12616%0.163CC..  trans-78.2133.2-166.9-64.1-60.1-36.600113.1T632 I670 V676 L677 R681T632-Q674 HydrophobicContact CG2-CB 4.35Å; T632-Q674 HydrophobicContact CG2-CG 4.26Å; T632-Q674 WeakPolarHBondContact OG1-CG 3.47Å; I670-Q674 HydrophobicContact CB-CG 4.29Å; I670-Q674 HydrophobicContact CG1-CG 4.49Å; I670-Q674 HydrophobicContact CG2-CB 4.21Å; I670-Q674 HydrophobicContact CG2-CG 3.83Å; I670-Q674 PolarHBondContact O-N 3.41Å; Q674-V676 VanDerWaalsContact C-N 3.32Å; Q674-V676 PolarHBondContact O-N 2.88Å; Q674-L677 HydrophobicContact CB-CD1 4.2Å; Q674-L677 PolarHBondContact O-N 2.83Å; Q674-R681 VanDerWaalsContact N-NH2 3.16Å; Q674-R681 PolarHBondContact O-NH1 3.29Å; Q674-R681 PolarHBondContact O-NH2 3.47Å
675P93.1Very high94.3Very high69 Ų6935.4 Ų35.445%0.44817%0.173SC..G310 helixtrans-68-30.5-174.925.6-33.2000113L677 H678 N924P675-L677 PolarHBondContact O-N 2.93Å; P675-H678 VanDerWaalsContact O-CB 3.31Å; P675-H678 WeakPolarHBondContact O-CB 3.46Å; P675-H678 PolarHBondContact O-N 3.4Å; P675-N924 WeakPolarHBondContact CD-O 3.5Å
676V93.5Very high93.9Very high58 Ų5837.5 Ų37.535%0.35219%0.191SC..G310 helixtrans-53.3-30.5177.1177.70000111.9T632 Q636 Q674 H678T632-V676 HydrophobicContact CG2-CG2 4.21Å; Q636-V676 HydrophobicContact CB-CG1 4.02Å; Q674-V676 VanDerWaalsContact C-N 3.32Å; Q674-V676 PolarHBondContact O-N 2.88Å; V676-H678 VanDerWaalsContact C-N 3.35Å; V676-H678 PolarHBondContact O-N 2.63Å
677L96Very high93.5Very high0 Ų037.8 Ų37.80%019%0.192CC..G310 helixtrans-89.29.1-177.6-76.974.3000113.9C635 A640 Y644 I670 L671 Q674 P675 N679 F680 R681C635-L677 HydrophobicContact CB-CD1 3.98Å; A640-L677 HydrophobicContact CB-CG 4.23Å; Y644-L677 HydrophobicContact CE2-CD2 3.58Å; Y644-L677 VanDerWaalsContact OH-CD2 3.31Å; Y644-L677 WeakPolarHBondContact OH-CD2 3.4Å; I670-L677 HydrophobicContact CG2-CD1 4.19Å; I670-L677 HydrophobicContact CG2-CD2 4.07Å; L671-L677 HydrophobicContact CB-CD2 4.38Å; L671-L677 HydrophobicContact CD1-CD2 4.04Å; Q674-L677 HydrophobicContact CB-CD1 4.2Å; Q674-L677 PolarHBondContact O-N 2.83Å; P675-L677 PolarHBondContact O-N 2.93Å; L677-N679 PolarHBondContact O-N 3.3Å; L677-F680 HydrophobicContact CB-CB 4.42Å; L677-F680 HydrophobicContact CD2-CD1 4.4Å; L677-F680 WeakPolarHBondContact O-CB 3.31Å; L677-F680 PolarHBondContact O-N 2.99Å; L677-F680 VanDerWaalsContact O-N 3.13Å; L677-R681 WeakPolarHBondContact O-CG 3.43Å; L677-R681 PolarHBondContact O-N 3.21Å
678H93.4Very high92.8Very high97 Ų9742.4 Ų42.445%0.44922%0.217SC..Hα-helixtrans-55.6-47.2-179.5179.562.9000113.6P675 V676 F680 R681 K682P675-H678 VanDerWaalsContact O-CB 3.31Å; P675-H678 WeakPolarHBondContact O-CB 3.46Å; P675-H678 PolarHBondContact O-N 3.4Å; V676-H678 VanDerWaalsContact C-N 3.35Å; V676-H678 PolarHBondContact O-N 2.63Å; H678-F680 VanDerWaalsContact C-N 3.31Å; H678-F680 PolarHBondContact O-N 2.78Å; H678-R681 PolarHBondContact O-N 2.73Å; H678-K682 VanDerWaalsContact NE2-CE 3.29Å; H678-K682 WeakPolarHBondContact NE2-CE 3.16Å; H678-K682 PolarHBondContact NE2-NZ 3.24Å; H678-K682 PolarHBondContact O-N 2.97Å; H678-K682 VanDerWaalsContact O-N 3.16Å
679N93.7Very high92.4Very high108 Ų10844.6 Ų44.658%0.57823%0.231SC*.Hα-helixtrans-66.3-37.2178.1-68.6-30.3000111.4L677 K682 Q683L677-N679 PolarHBondContact O-N 3.3Å; N679-K682 WeakPolarHBondContact O-CB 3.41Å; N679-K682 PolarHBondContact O-N 3.23Å; N679-Q683 WeakPolarHBondContact O-CG 3.48Å; N679-Q683 PolarHBondContact O-N 2.65Å
680F96.2Very high91.9Very high6 Ų647.5 Ų47.53%0.02625%0.245CC..Hα-helixtrans-64.6-42.3176.9-170.5-121000112.1A640 D641 Y644 L671 L677 H678 K682 Q683 L684 L695 L699A640-F680 HydrophobicContact CB-CB 3.85Å; A640-F680 HydrophobicContact CB-CD1 4.06Å; A640-F680 HydrophobicContact CB-CD2 4.03Å; A640-F680 HydrophobicContact CB-CG 3.72Å; D641-F680 HydrophobicContact CB-CE2 4.18Å; Y644-F680 AromaticContact CD1-CE1 3.96Å; Y644-F680 HydrophobicContact CD1-CE1 3.96Å; Y644-F680 HydrophobicContact CD2-CE1 4.07Å; Y644-F680 HydrophobicContact CE1-CE1 4.48Å; Y644-F680 AromaticContact CG-CE1 3.74Å; Y644-F680 HydrophobicContact CG-CE1 3.74Å; Y644-F680 HydrophobicContact CG-CZ 4.07Å; L671-F680 HydrophobicContact CD1-CD1 3.6Å; L671-F680 HydrophobicContact CD1-CE1 3.9Å; L677-F680 HydrophobicContact CB-CB 4.42Å; L677-F680 HydrophobicContact CD2-CD1 4.4Å; L677-F680 WeakPolarHBondContact O-CB 3.31Å; L677-F680 PolarHBondContact O-N 2.99Å; L677-F680 VanDerWaalsContact O-N 3.13Å; H678-F680 VanDerWaalsContact C-N 3.31Å; H678-F680 PolarHBondContact O-N 2.78Å; F680-K682 VanDerWaalsContact C-N 3.31Å; F680-K682 PolarHBondContact O-N 3.39Å; F680-Q683 WeakPolarHBondContact O-CB 3.48Å; F680-Q683 PolarHBondContact O-N 3.16Å; F680-L684 HydrophobicContact CD1-CD1 4.06Å; F680-L684 HydrophobicContact CE1-CD1 3.73Å; F680-L684 HydrophobicContact CE1-CG 4.34Å; F680-L684 HydrophobicContact CZ-CD1 4.13Å; F680-L684 HydrophobicContact CZ-CD2 4.38Å; F680-L684 HydrophobicContact CZ-CG 4.32Å; F680-L684 WeakPolarHBondContact O-CG 3.34Å; F680-L684 PolarHBondContact O-N 2.91Å; F680-L695 HydrophobicContact CE2-CD2 3.86Å; F680-L695 HydrophobicContact CZ-CD2 4.25Å; F680-L699 HydrophobicContact CE1-CD2 4.47Å; F680-L699 HydrophobicContact CZ-CD2 4.33Å
681R94.9Very high91.5Very high6 Ų650.5 Ų50.52%0.02327%0.27CS..Hα-helixtrans-58.9-41.2172.3-68174-171.1106.315.8112.2I670 L671 Q674 L677 H678 L684 R685 L716I670-R681 PolarHBondContact O-NH2 2.91Å; L671-R681 HydrophobicContact CD1-CG 4.25Å; L671-R681 PolarHBondContact O-NE 2.87Å; L671-R681 PolarHBondContact O-NH2 3.05Å; Q674-R681 VanDerWaalsContact N-NH2 3.16Å; Q674-R681 PolarHBondContact O-NH1 3.29Å; Q674-R681 PolarHBondContact O-NH2 3.47Å; L677-R681 WeakPolarHBondContact O-CG 3.43Å; L677-R681 PolarHBondContact O-N 3.21Å; H678-R681 PolarHBondContact O-N 2.73Å; R681-L684 PolarHBondContact O-N 3.28Å; R681-R685 WeakPolarHBondContact O-CG 3.3Å; R681-R685 PolarHBondContact O-N 2.88Å; R681-R685 VanDerWaalsContact O-N 3.08Å; R681-L716 HydrophobicContact CG-CD2 4.45Å
682K91.6Very high91.2Very high110 Ų11052.6 Ų52.648%0.47828%0.28SS..Hα-helixtrans-64.2-42.3175.9-72.8179.4175.2177.80111.6H678 N679 F680 L684 R685 C686H678-K682 VanDerWaalsContact NE2-CE 3.29Å; H678-K682 WeakPolarHBondContact NE2-CE 3.16Å; H678-K682 PolarHBondContact NE2-NZ 3.24Å; H678-K682 PolarHBondContact O-N 2.97Å; H678-K682 VanDerWaalsContact O-N 3.16Å; N679-K682 WeakPolarHBondContact O-CB 3.41Å; N679-K682 PolarHBondContact O-N 3.23Å; F680-K682 VanDerWaalsContact C-N 3.31Å; F680-K682 PolarHBondContact O-N 3.39Å; K682-L684 VanDerWaalsContact C-N 3.35Å; K682-L684 PolarHBondContact O-N 2.92Å; K682-R685 PolarHBondContact O-N 3.23Å; K682-C686 PolarHBondContact O-N 2.7Å
683Q92.4Very high91Very high92 Ų9252.5 Ų52.543%0.4328%0.28SS..Hα-helixtrans-61-43.1175.3-71.8173.4-11.900111.7N679 F680 R685 C686N679-Q683 WeakPolarHBondContact O-CG 3.48Å; N679-Q683 PolarHBondContact O-N 2.65Å; F680-Q683 WeakPolarHBondContact O-CB 3.48Å; F680-Q683 PolarHBondContact O-N 3.16Å; Q683-R685 VanDerWaalsContact C-N 3.3Å; Q683-R685 PolarHBondContact O-N 3.1Å; Q683-C686 CarbonylContact O-C 3.4Å; Q683-C686 PolarHBondContact O-N 3.33Å
684L92.5Very high90.8Very high4 Ų455.1 Ų55.12%0.02129%0.291CS..Hα-helixtrans-67.1-26.1176.9-70177.5000113.7L671 F680 R681 K682 I687 L699 L713 L716 T717L671-L684 HydrophobicContact CD1-CD1 4.01Å; L671-L684 HydrophobicContact CD2-CD1 4.14Å; F680-L684 HydrophobicContact CD1-CD1 4.06Å; F680-L684 HydrophobicContact CE1-CD1 3.73Å; F680-L684 HydrophobicContact CE1-CG 4.34Å; F680-L684 HydrophobicContact CZ-CD1 4.13Å; F680-L684 HydrophobicContact CZ-CD2 4.38Å; F680-L684 HydrophobicContact CZ-CG 4.32Å; F680-L684 WeakPolarHBondContact O-CG 3.34Å; F680-L684 PolarHBondContact O-N 2.91Å; R681-L684 PolarHBondContact O-N 3.28Å; K682-L684 VanDerWaalsContact C-N 3.35Å; K682-L684 PolarHBondContact O-N 2.92Å; L684-I687 WeakPolarHBondContact O-CD1 3.33Å; L684-I687 WeakPolarHBondContact O-CG1 3.16Å; L684-L699 HydrophobicContact CD1-CD2 4.23Å; L684-L699 HydrophobicContact CD2-CD2 4.23Å; L684-L713 HydrophobicContact CD1-CD1 4.32Å; L684-L716 HydrophobicContact CD1-CD2 4.29Å; L684-T717 HydrophobicContact CB-CG2 4.02Å; L684-T717 VanDerWaalsContact O-CG2 3.23Å; L684-T717 WeakPolarHBondContact O-CG2 3.49Å
685R88.7Confident90.7Very high56 Ų5654.9 Ų54.921%0.21129%0.291CS..Hα-helixtrans-77.5-34.7172.3-75.6174.4-157-174.54.7113R681 K682 Q683 L716 I754R681-R685 WeakPolarHBondContact O-CG 3.3Å; R681-R685 PolarHBondContact O-N 2.88Å; R681-R685 VanDerWaalsContact O-N 3.08Å; K682-R685 PolarHBondContact O-N 3.23Å; Q683-R685 VanDerWaalsContact C-N 3.3Å; Q683-R685 PolarHBondContact O-N 3.1Å; R685-L716 WeakPolarHBondContact CG-O 3.38Å; R685-I754 PolarHBondContact NH1-O 3.45Å; R685-I754 PolarHBondContact NH2-O 2.9Å
686C86Confident90.8Very high84 Ų8451.6 Ų51.657%0.56827%0.27SS*.SBendtrans-108.552-173.7-60.50000111.6K682 Q683 N688K682-C686 PolarHBondContact O-N 2.7Å; Q683-C686 CarbonylContact O-C 3.4Å; Q683-C686 PolarHBondContact O-N 3.33Å; C686-N688 PolarHBondContact O-N 2.9Å
687I86.7Confident90.8Very high7 Ų750.8 Ų50.84%0.03626%0.262CS..  trans-66114.7176.6-61.2168.8000109L684 Q692 C693 F696 T717 V823L684-I687 WeakPolarHBondContact O-CD1 3.33Å; L684-I687 WeakPolarHBondContact O-CG1 3.16Å; I687-Q692 HydrophobicContact CB-CB 4.49Å; I687-Q692 HydrophobicContact CG1-CB 4.47Å; I687-Q692 HydrophobicContact CG2-CB 3.9Å; I687-C693 VanDerWaalsContact CG2-SG 3.53Å; I687-F696 HydrophobicContact CD1-CB 3.87Å; I687-F696 HydrophobicContact CD1-CD2 4.08Å; I687-F696 HydrophobicContact CD1-CG 4.05Å; I687-T717 HydrophobicContact CD1-CG2 4.44Å; I687-V823 HydrophobicContact CB-CG2 4Å; I687-V823 HydrophobicContact CG2-CG2 3.78Å
688N84.7Confident90.8Very high99 Ų9953.1 Ų53.153%0.52927%0.272SS..  trans-139.7-0.7-178.764.81.3000113.9C686 Q692C686-N688 PolarHBondContact O-N 2.9Å; N688-Q692 PolarHBondContact OD1-OE1 3.36Å
689T86.8Confident90.9Very high61 Ų6148.5 Ų48.537%0.37425%0.251SS..SBendtrans-120.9153.6177.461.10000111.9A691 Q692 C693T689-A691 VanDerWaalsContact C-N 3.26Å; T689-A691 PolarHBondContact O-N 3.44Å; T689-Q692 VanDerWaalsContact N-OE1 3.1Å; T689-Q692 PolarHBondContact O-N 2.95Å; T689-Q692 WeakPolarHBondContact OG1-CB 3.28Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.31Å; T689-Q692 PolarHBondContact OG1-N 3.48Å; T689-Q692 PolarHBondContact OG1-OE1 3.16Å; T689-C693 PolarHBondContact O-N 3.32Å; T689-C693 PolarHBondContact O-SG 2.93Å
690K86.4Confident91.1Very high107 Ų10743.4 Ų43.447%0.46522%0.223SC..Hα-helixtrans-56.2-40.3174.2-176-178.1175.9-173.80112.3C693 Q694 Y826K690-C693 WeakPolarHBondContact O-CB 3.49Å; K690-C693 PolarHBondContact O-N 2.77Å; K690-Q694 WeakPolarHBondContact O-CG 3.28Å; K690-Q694 PolarHBondContact O-N 2.76Å; K690-Y826 HydrophobicContact CD-CE1 4.27Å; K690-Y826 HydrophobicContact CG-CD1 4.27Å; K690-Y826 HydrophobicContact CG-CE1 4.26Å
691A86.8Confident91.1Very high63 Ų6345.7 Ų45.752%0.52123%0.232SC..Hα-helixtrans-63.4-41.2178.200000112.3T689 Q694 L695T689-A691 VanDerWaalsContact C-N 3.26Å; T689-A691 PolarHBondContact O-N 3.44Å; A691-Q694 PolarHBondContact O-N 3.23Å; A691-L695 WeakPolarHBondContact O-CB 3.44Å; A691-L695 PolarHBondContact O-N 3.39Å
692Q90.2Very high91.2Very high44 Ų4445.4 Ų45.421%0.20623%0.231CC..Hα-helixtrans-68-34.7174.2-71.1163.2-19.800112.4I687 N688 T689 L695 F696I687-Q692 HydrophobicContact CB-CB 4.49Å; I687-Q692 HydrophobicContact CG1-CB 4.47Å; I687-Q692 HydrophobicContact CG2-CB 3.9Å; N688-Q692 PolarHBondContact OD1-OE1 3.36Å; T689-Q692 VanDerWaalsContact N-OE1 3.1Å; T689-Q692 PolarHBondContact O-N 2.95Å; T689-Q692 WeakPolarHBondContact OG1-CB 3.28Å; T689-Q692 WeakPolarHBondContact OG1-CG 3.31Å; T689-Q692 PolarHBondContact OG1-N 3.48Å; T689-Q692 PolarHBondContact OG1-OE1 3.16Å; Q692-L695 WeakPolarHBondContact O-CB 3.39Å; Q692-L695 PolarHBondContact O-N 2.86Å; Q692-F696 PolarHBondContact O-N 3.29Å
693C90.8Very high91.4Very high2 Ų240.2 Ų40.21%0.01421%0.208CC..Hα-helixtrans-61.6-46.2172-67.90000111.2I687 T689 K690 L695 F696 E697 I827I687-C693 VanDerWaalsContact CG2-SG 3.53Å; T689-C693 PolarHBondContact O-N 3.32Å; T689-C693 PolarHBondContact O-SG 2.93Å; K690-C693 WeakPolarHBondContact O-CB 3.49Å; K690-C693 PolarHBondContact O-N 2.77Å; C693-L695 VanDerWaalsContact C-N 3.33Å; C693-L695 PolarHBondContact O-N 3.43Å; C693-F696 WeakPolarHBondContact O-CB 3.29Å; C693-F696 PolarHBondContact O-N 3.21Å; C693-E697 WeakPolarHBondContact O-CG 3.43Å; C693-E697 PolarHBondContact O-N 2.9Å; C693-I827 HydrophobicContact CB-CD1 3.79Å; C693-I827 HydrophobicContact CB-CG1 3.97Å
694Q89Confident91.6Very high57 Ų5735.8 Ų35.827%0.26619%0.188SC..Hα-helixtrans-62.3-40176.2-70.7169.9-37.500112.3D569 K690 A691 E697 K698D569-Q694 PolarHBondContact OD1-NE2 3.36Å; K690-Q694 WeakPolarHBondContact O-CG 3.28Å; K690-Q694 PolarHBondContact O-N 2.76Å; A691-Q694 PolarHBondContact O-N 3.23Å; Q694-E697 PolarHBondContact O-N 3.32Å; Q694-K698 WeakPolarHBondContact O-CG 3.24Å; Q694-K698 PolarHBondContact O-N 3.43Å
695L92.4Very high91.7Very high22 Ų2237 Ų3712%0.11519%0.193CC..Hα-helixtrans-59.1-50.6173.5177.264000110.7C645 F680 A691 Q692 C693 E697 K698 L699C645-L695 HydrophobicContact CB-CD1 3.54Å; F680-L695 HydrophobicContact CE2-CD2 3.86Å; F680-L695 HydrophobicContact CZ-CD2 4.25Å; A691-L695 WeakPolarHBondContact O-CB 3.44Å; A691-L695 PolarHBondContact O-N 3.39Å; Q692-L695 WeakPolarHBondContact O-CB 3.39Å; Q692-L695 PolarHBondContact O-N 2.86Å; C693-L695 VanDerWaalsContact C-N 3.33Å; C693-L695 PolarHBondContact O-N 3.43Å; L695-E697 VanDerWaalsContact C-N 3.29Å; L695-E697 PolarHBondContact O-N 2.89Å; L695-K698 PolarHBondContact O-N 2.88Å; L695-K698 VanDerWaalsContact O-N 3.16Å; L695-L699 HydrophobicContact CD1-CD1 3.49Å; L695-L699 VanDerWaalsContact CD1-CD1 3.49Å; L695-L699 HydrophobicContact CG-CD1 3.94Å; L695-L699 WeakPolarHBondContact O-CD1 3.49Å; L695-L699 PolarHBondContact O-N 3.26Å
696F94.9Very high92Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-57-43176.3174.1-96.2000111.8I687 Q692 C693 K698 L699 Y700 L713 T717 I827 F829I687-F696 HydrophobicContact CD1-CB 3.87Å; I687-F696 HydrophobicContact CD1-CD2 4.08Å; I687-F696 HydrophobicContact CD1-CG 4.05Å; Q692-F696 PolarHBondContact O-N 3.29Å; C693-F696 WeakPolarHBondContact O-CB 3.29Å; C693-F696 PolarHBondContact O-N 3.21Å; F696-K698 PolarHBondContact O-N 2.84Å; F696-L699 PolarHBondContact O-N 3.32Å; F696-Y700 HydrophobicContact CE1-CD2 4.09Å; F696-Y700 AromaticContact CZ-CD2 3.92Å; F696-Y700 HydrophobicContact CZ-CD2 3.92Å; F696-Y700 VanDerWaalsContact O-CB 3.3Å; F696-Y700 WeakPolarHBondContact O-CB 3.26Å; F696-Y700 PolarHBondContact O-N 2.91Å; F696-L713 HydrophobicContact CE2-CG 4.42Å; F696-T717 HydrophobicContact CD2-CG2 3.81Å; F696-T717 HydrophobicContact CE2-CG2 3.76Å; F696-T717 WeakPolarHBondContact CE2-OG1 3.48Å; F696-I827 HydrophobicContact CB-CD1 4.42Å; F696-I827 HydrophobicContact CD1-CD1 3.52Å; F696-I827 HydrophobicContact CD1-CG2 4.48Å; F696-I827 HydrophobicContact CE1-CD1 4.2Å; F696-I827 HydrophobicContact CE1-CG2 4.36Å; F696-I827 HydrophobicContact CG-CD1 4.31Å; F696-F829 AromaticContact CE1-CE1 3.74Å; F696-F829 HydrophobicContact CE1-CE1 3.74Å; F696-F829 HydrophobicContact CE1-CZ 4.06Å; F696-F829 AromaticContact CZ-CE1 4Å; F696-F829 HydrophobicContact CZ-CE1 4Å; F696-F829 HydrophobicContact CZ-CZ 4.45Å
697E93.7Very high92.4Very high42 Ų4230.3 Ų30.320%0.19616%0.156CC..Hα-helixtrans-61.8-42176.1-77-166.4-160.300113.4C693 Q694 L695 Y700 R701 I827 L832C693-E697 WeakPolarHBondContact O-CG 3.43Å; C693-E697 PolarHBondContact O-N 2.9Å; Q694-E697 PolarHBondContact O-N 3.32Å; L695-E697 VanDerWaalsContact C-N 3.29Å; L695-E697 PolarHBondContact O-N 2.89Å; E697-Y700 PolarHBondContact O-N 2.97Å; E697-R701 WeakPolarHBondContact O-CB 3.37Å; E697-R701 WeakPolarHBondContact O-CG 3.49Å; E697-R701 PolarHBondContact O-N 3.44Å; E697-R701 IonicContact OE2-CZ 2.71Å; E697-R701 IonicContact OE2-NH1 3.71Å; E697-R701 PolarHBondContact OE2-NH1 2.84Å; E697-I827 HydrophobicContact CG-CG1 3.96Å; E697-I827 HydrophobicContact CG-CG2 4.29Å; E697-L832 HydrophobicContact CG-CD1 4.36Å
698K94.2Very high92.9Very high49 Ų4930.1 Ų30.121%0.21316%0.155CC..Hα-helixtrans-62.4-46.6175.8-74.4174.5172.8-173.20110.4L566 C645 S648 Q694 L695 F696 R701 A702L566-K698 WeakPolarHBondContact O-CE 3.42Å; L566-K698 PolarHBondContact O-NZ 2.97Å; C645-K698 VanDerWaalsContact SG-CD 3.53Å; S648-K698 WeakPolarHBondContact CB-O 3.24Å; Q694-K698 WeakPolarHBondContact O-CG 3.24Å; Q694-K698 PolarHBondContact O-N 3.43Å; L695-K698 PolarHBondContact O-N 2.88Å; L695-K698 VanDerWaalsContact O-N 3.16Å; F696-K698 PolarHBondContact O-N 2.84Å; K698-R701 PolarHBondContact O-N 3.46Å; K698-A702 PolarHBondContact O-N 3.16Å; K698-A702 VanDerWaalsContact O-N 3.16Å
699L96.9Very high93.6Very high0 Ų025.6 Ų25.60%013%0.131CC..Hα-helixtrans-60.4-48.6175.3-89.470.1000111Y644 F680 L684 L695 F696 R701 A702 W703 L713Y644-L699 HydrophobicContact CD1-CD2 4.26Å; F680-L699 HydrophobicContact CE1-CD2 4.47Å; F680-L699 HydrophobicContact CZ-CD2 4.33Å; L684-L699 HydrophobicContact CD1-CD2 4.23Å; L684-L699 HydrophobicContact CD2-CD2 4.23Å; L695-L699 HydrophobicContact CD1-CD1 3.49Å; L695-L699 VanDerWaalsContact CD1-CD1 3.49Å; L695-L699 HydrophobicContact CG-CD1 3.94Å; L695-L699 WeakPolarHBondContact O-CD1 3.49Å; L695-L699 PolarHBondContact O-N 3.26Å; F696-L699 PolarHBondContact O-N 3.32Å; L699-R701 PolarHBondContact O-N 3.36Å; L699-A702 PolarHBondContact O-N 3Å; L699-W703 HydrophobicContact CG-CH2 4.46Å; L699-W703 HydrophobicContact CG-CZ3 4.35Å; L699-W703 VanDerWaalsContact O-CB 3.31Å; L699-W703 WeakPolarHBondContact O-CB 3.44Å; L699-W703 PolarHBondContact O-N 3.41Å; L699-L713 HydrophobicContact CB-CD2 3.91Å; L699-L713 HydrophobicContact CD2-CD1 4.25Å
700Y97.6Very high94.1Very high0 Ų022.7 Ų22.70%011%0.113CC..Hα-helixtrans-55.2-50.7179.3-171.3-68.8000110.9F696 E697 A702 W703 C704 L710 H722 L832F696-Y700 HydrophobicContact CE1-CD2 4.09Å; F696-Y700 AromaticContact CZ-CD2 3.92Å; F696-Y700 HydrophobicContact CZ-CD2 3.92Å; F696-Y700 VanDerWaalsContact O-CB 3.3Å; F696-Y700 WeakPolarHBondContact O-CB 3.26Å; F696-Y700 PolarHBondContact O-N 2.91Å; E697-Y700 PolarHBondContact O-N 2.97Å; Y700-A702 VanDerWaalsContact C-N 3.32Å; Y700-A702 PolarHBondContact O-N 3.45Å; Y700-W703 PolarHBondContact O-N 3.28Å; Y700-C704 WeakPolarHBondContact CE1-SG 2.98Å; Y700-C704 PolarHBondContact O-N 2.59Å; Y700-C704 PolarHBondContact O-SG 3.33Å; Y700-L710 HydrophobicContact CD1-CD1 4.05Å; Y700-L710 HydrophobicContact CD2-CD1 3.63Å; Y700-L710 HydrophobicContact CE1-CD1 4.05Å; Y700-L710 HydrophobicContact CE1-CD2 4.02Å; Y700-L710 HydrophobicContact CE2-CD1 3.68Å; Y700-L710 HydrophobicContact CE2-CD2 4.39Å; Y700-L710 HydrophobicContact CE2-CG 4.35Å; Y700-L710 HydrophobicContact CG-CD1 3.81Å; Y700-H722 AromaticContact CE2-CD2 3.81Å; Y700-H722 AromaticContact CE2-NE2 3.37Å; Y700-H722 WeakPolarHBondContact CE2-NE2 3.26Å; Y700-H722 AromaticContact CZ-NE2 3.45Å; Y700-H722 PolarHBondContact OH-NE2 2.82Å; Y700-L832 HydrophobicContact CD1-CB 3.83Å; Y700-L832 HydrophobicContact CD1-CD1 4.09Å; Y700-L832 HydrophobicContact CD1-CD2 3.94Å; Y700-L832 HydrophobicContact CD1-CG 4.18Å; Y700-L832 HydrophobicContact CD2-CD1 4.16Å; Y700-L832 HydrophobicContact CE1-CB 3.58Å; Y700-L832 HydrophobicContact CE1-CD2 4.5Å; Y700-L832 HydrophobicContact CE1-CG 4.43Å; Y700-L832 VanDerWaalsContact CE1-O 3.32Å; Y700-L832 WeakPolarHBondContact CE1-O 3.41Å; Y700-L832 HydrophobicContact CE2-CB 4.45Å; Y700-L832 HydrophobicContact CG-CB 4.43Å; Y700-L832 HydrophobicContact CG-CD1 3.93Å; Y700-L832 HydrophobicContact CG-CD2 4.44Å
701R96.1Very high94.6Very high55 Ų5517.6 Ų17.621%0.2089%0.091CC..Hα-helixtrans-61-38.8-178.9-75.1-177.317093-2.8112.6E697 K698 L699 C704 E831 L832 Y835E697-R701 WeakPolarHBondContact O-CB 3.37Å; E697-R701 WeakPolarHBondContact O-CG 3.49Å; E697-R701 PolarHBondContact O-N 3.44Å; E697-R701 IonicContact OE2-CZ 2.71Å; E697-R701 IonicContact OE2-NH1 3.71Å; E697-R701 PolarHBondContact OE2-NH1 2.84Å; K698-R701 PolarHBondContact O-N 3.46Å; L699-R701 PolarHBondContact O-N 3.36Å; R701-C704 WeakPolarHBondContact O-CB 3.2Å; R701-E831 IonicContact NH2-OE1 3.38Å; R701-E831 PolarHBondContact NH2-OE1 3.48Å; R701-L832 HydrophobicContact CG-CD2 3.97Å; R701-Y835 HydrophobicContact CB-CD1 4.31Å; R701-Y835 HydrophobicContact CB-CE1 3.78Å; R701-Y835 HydrophobicContact CG-CD1 3.93Å; R701-Y835 HydrophobicContact CG-CE1 3.83Å
702A96Very high95.2Very high0 Ų014.6 Ų14.60%07%0.066CC..Hα-helixtrans-72.4-36.9172.900000112.1I651 V664 K698 L699 Y700 C704 F705I651-A702 HydrophobicContact CB-CB 4.19Å; I651-A702 HydrophobicContact CG2-CB 4.05Å; V664-A702 VanDerWaalsContact CG2-O 3.26Å; V664-A702 WeakPolarHBondContact CG2-O 3.31Å; K698-A702 PolarHBondContact O-N 3.16Å; K698-A702 VanDerWaalsContact O-N 3.16Å; L699-A702 PolarHBondContact O-N 3Å; Y700-A702 VanDerWaalsContact C-N 3.32Å; Y700-A702 PolarHBondContact O-N 3.45Å; A702-C704 PolarHBondContact O-N 3.18Å; A702-F705 VanDerWaalsContact O-CD2 3.29Å; A702-F705 WeakPolarHBondContact O-CD2 3.23Å; A702-F705 PolarHBondContact O-N 3.48Å
703W97.7Very high95.5Very high0 Ų012.5 Ų12.50%06%0.057CC..Hα-helixtrans-70.1-20.2-178.1-91.6-130.8000112Y644 S648 V664 L667 N668 L699 Y700 F705 N706 S709 L710 L713Y644-W703 AromaticContact CD1-CH2 3.61Å; Y644-W703 HydrophobicContact CD1-CH2 3.61Å; Y644-W703 HydrophobicContact CD1-CZ2 4.08Å; Y644-W703 AromaticContact CE1-CH2 3.74Å; Y644-W703 HydrophobicContact CE1-CH2 3.74Å; Y644-W703 AromaticContact CE1-CZ2 3.87Å; Y644-W703 HydrophobicContact CE1-CZ2 3.87Å; S648-W703 VanDerWaalsContact OG-CZ3 3.28Å; S648-W703 WeakPolarHBondContact OG-CZ3 3.48Å; V664-W703 HydrophobicContact CG1-CB 4.33Å; V664-W703 HydrophobicContact CG1-CD2 3.97Å; V664-W703 HydrophobicContact CG1-CE3 4.32Å; V664-W703 HydrophobicContact CG1-CG 3.96Å; L667-W703 HydrophobicContact CB-CH2 3.55Å; L667-W703 HydrophobicContact CB-CZ2 3.78Å; L667-W703 HydrophobicContact CB-CZ3 4.44Å; L667-W703 HydrophobicContact CD1-CH2 3.78Å; L667-W703 HydrophobicContact CD1-CZ3 3.96Å; L667-W703 HydrophobicContact CG-CH2 4.21Å; N668-W703 PolarHBondContact OD1-NE1 2.46Å; L699-W703 HydrophobicContact CG-CH2 4.46Å; L699-W703 HydrophobicContact CG-CZ3 4.35Å; L699-W703 VanDerWaalsContact O-CB 3.31Å; L699-W703 WeakPolarHBondContact O-CB 3.44Å; L699-W703 PolarHBondContact O-N 3.41Å; Y700-W703 PolarHBondContact O-N 3.28Å; W703-F705 PolarHBondContact O-N 3.33Å; W703-N706 CarbonylContact O-C 3.6Å; W703-N706 PolarHBondContact O-N 3.01Å; W703-S709 VanDerWaalsContact CD1-O 3.3Å; W703-L710 HydrophobicContact CB-CB 4.07Å; W703-L710 HydrophobicContact CB-CD1 3.76Å; W703-L713 HydrophobicContact CB-CD2 4.21Å; W703-L713 HydrophobicContact CD2-CD2 4.31Å; W703-L713 HydrophobicContact CG-CB 4.49Å; W703-L713 HydrophobicContact CG-CD2 3.83Å
704C95.9Very high95.7Very high0 Ų012.4 Ų12.40%06%0.056CC..THydrogen-bonded Turntrans-54.2-18.8172.5-69.30000114.8Y700 R701 A702 N706 Y835 F836 I839 Q840Y700-C704 WeakPolarHBondContact CE1-SG 2.98Å; Y700-C704 PolarHBondContact O-N 2.59Å; Y700-C704 PolarHBondContact O-SG 3.33Å; R701-C704 WeakPolarHBondContact O-CB 3.2Å; A702-C704 PolarHBondContact O-N 3.18Å; C704-N706 VanDerWaalsContact C-N 3.31Å; C704-Y835 HydrophobicContact CB-CD1 4.45Å; C704-Y835 HydrophobicContact CB-CE1 4.39Å; C704-F836 HydrophobicContact CB-CD2 4.2Å; C704-I839 HydrophobicContact CB-CB 4.25Å; C704-I839 HydrophobicContact CB-CG1 4.41Å; C704-I839 HydrophobicContact CB-CG2 4.22Å; C704-Q840 PolarHBondContact O-NE2 2.72Å
705F93.8Very high96Very high28 Ų289.8 Ų9.812%0.1234%0.043CC..THydrogen-bonded Turntrans-73.5-20.4174.6-71.2-78.9000113.5I651 A660 F661 V664 A702 W703 I839I651-F705 HydrophobicContact CG2-CD2 3.67Å; I651-F705 HydrophobicContact CG2-CE2 3.66Å; A660-F705 HydrophobicContact CB-CB 4.02Å; A660-F705 HydrophobicContact CB-CD1 3.77Å; A660-F705 HydrophobicContact CB-CD2 4.22Å; A660-F705 HydrophobicContact CB-CE1 4.26Å; A660-F705 HydrophobicContact CB-CG 3.75Å; F661-F705 WeakPolarHBondContact CD2-O 3.48Å; V664-F705 HydrophobicContact CG2-CB 4.33Å; A702-F705 VanDerWaalsContact O-CD2 3.29Å; A702-F705 WeakPolarHBondContact O-CD2 3.23Å; A702-F705 PolarHBondContact O-N 3.48Å; W703-F705 PolarHBondContact O-N 3.33Å; F705-I839 HydrophobicContact CD1-CG2 3.69Å; F705-I839 HydrophobicContact CE1-CG2 3.77Å; F705-I839 HydrophobicContact CG-CG2 4.11Å; F705-I839 HydrophobicContact CZ-CD1 4.32Å; F705-I839 HydrophobicContact CZ-CG2 4.23Å
706N94.6Very high96.1Very high0 Ų08.8 Ų8.80%04%0.038CC..SBendtrans-129.2106.4173.6-179.7-37.3000109.8F661 V664 W703 C704 V708 S709 L710 D742F661-N706 HydrophobicContact CD2-CB 4Å; F661-N706 HydrophobicContact CE2-CB 4.02Å; F661-N706 WeakPolarHBondContact CZ-ND2 3.5Å; V664-N706 HydrophobicContact CB-CB 4.22Å; V664-N706 HydrophobicContact CG1-CB 3.81Å; W703-N706 CarbonylContact O-C 3.6Å; W703-N706 PolarHBondContact O-N 3.01Å; C704-N706 VanDerWaalsContact C-N 3.31Å; N706-V708 VanDerWaalsContact C-N 3.3Å; N706-V708 PolarHBondContact O-N 3.15Å; N706-V708 PolarHBondContact OD1-N 3.43Å; N706-V708 VanDerWaalsContact OD1-N 3.12Å; N706-S709 VanDerWaalsContact CG-OG 3.29Å; N706-S709 PolarHBondContact ND2-OG 3.49Å; N706-S709 PolarHBondContact O-N 3.5Å; N706-S709 PolarHBondContact OD1-N 3.43Å; N706-S709 PolarHBondContact OD1-OG 3.17Å; N706-L710 PolarHBondContact O-N 3.09Å; N706-D742 PolarHBondContact ND2-OD2 3.3Å
707P96.3Very high96Very high1 Ų19.2 Ų9.21%0.0064%0.041CC..Hα-helixtrans-61.1-36-172.524.3-34000113.2L710 L711 F730 I733 T739 F836P707-L710 PolarHBondContact O-N 2.91Å; P707-L711 PolarHBondContact O-N 3.42Å; P707-F730 HydrophobicContact CB-CD1 4.49Å; P707-F730 HydrophobicContact CB-CE1 3.74Å; P707-F730 HydrophobicContact CB-CZ 3.91Å; P707-F730 WeakPolarHBondContact O-CZ 3.47Å; P707-I733 HydrophobicContact CB-CD1 3.8Å; P707-I733 HydrophobicContact CG-CD1 3.87Å; P707-T739 HydrophobicContact CG-CG2 4.01Å; P707-F836 HydrophobicContact CB-CE2 3.89Å; P707-F836 HydrophobicContact CB-CZ 3.94Å
708V96.8Very high95.9Very high3 Ų39.3 Ų9.32%0.0184%0.041CC..Hα-helixtrans-73.8-40.5-179.5-174.80000111.1N706 L710 L711 A712 F730 D742 M743 L746N706-V708 VanDerWaalsContact C-N 3.3Å; N706-V708 PolarHBondContact O-N 3.15Å; N706-V708 PolarHBondContact OD1-N 3.43Å; N706-V708 VanDerWaalsContact OD1-N 3.12Å; V708-L710 VanDerWaalsContact C-N 3.32Å; V708-L710 PolarHBondContact O-N 3.47Å; V708-L711 PolarHBondContact O-N 2.66Å; V708-A712 WeakPolarHBondContact O-CB 3.4Å; V708-A712 PolarHBondContact O-N 3.18Å; V708-F730 HydrophobicContact CG2-CE2 4.48Å; V708-D742 HydrophobicContact CB-CB 3.72Å; V708-D742 HydrophobicContact CG1-CB 3.84Å; V708-D742 WeakPolarHBondContact CG1-O 3.48Å; V708-D742 HydrophobicContact CG2-CB 3.92Å; V708-M743 HydrophobicContact CG1-CG 4.2Å; V708-M743 HydrophobicContact CG2-CE 4.11Å; V708-M743 HydrophobicContact CG2-CG 3.57Å; V708-L746 HydrophobicContact CG1-CB 3.93Å; V708-L746 HydrophobicContact CG1-CD2 3.69Å; V708-L746 HydrophobicContact CG1-CG 4.45Å
709S97.8Very high95.7Very high4 Ų48.3 Ų8.33%0.0284%0.039CC..Hα-helixtrans-61.1-43.1173-670000111.1N668 W703 N706 L711 A712 L713N668-S709 WeakPolarHBondContact CB-OG 3.23Å; W703-S709 VanDerWaalsContact CD1-O 3.3Å; N706-S709 VanDerWaalsContact CG-OG 3.29Å; N706-S709 PolarHBondContact ND2-OG 3.49Å; N706-S709 PolarHBondContact O-N 3.5Å; N706-S709 PolarHBondContact OD1-N 3.43Å; N706-S709 PolarHBondContact OD1-OG 3.17Å; S709-L711 PolarHBondContact O-N 3.12Å; S709-A712 WeakPolarHBondContact O-CB 3.38Å; S709-A712 PolarHBondContact O-N 3.35Å; S709-L713 PolarHBondContact O-N 3.47Å
710L98.3Very high95.5Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-59.4-45174.8-179.161.6000112.1Y700 W703 N706 P707 V708 A712 L713 C714 L726 F836Y700-L710 HydrophobicContact CD1-CD1 4.05Å; Y700-L710 HydrophobicContact CD2-CD1 3.63Å; Y700-L710 HydrophobicContact CE1-CD1 4.05Å; Y700-L710 HydrophobicContact CE1-CD2 4.02Å; Y700-L710 HydrophobicContact CE2-CD1 3.68Å; Y700-L710 HydrophobicContact CE2-CD2 4.39Å; Y700-L710 HydrophobicContact CE2-CG 4.35Å; Y700-L710 HydrophobicContact CG-CD1 3.81Å; W703-L710 HydrophobicContact CB-CB 4.07Å; W703-L710 HydrophobicContact CB-CD1 3.76Å; N706-L710 PolarHBondContact O-N 3.09Å; P707-L710 PolarHBondContact O-N 2.91Å; V708-L710 VanDerWaalsContact C-N 3.32Å; V708-L710 PolarHBondContact O-N 3.47Å; L710-A712 VanDerWaalsContact C-N 3.32Å; L710-A712 PolarHBondContact O-N 3.26Å; L710-L713 PolarHBondContact O-N 3.42Å; L710-C714 PolarHBondContact O-N 3.16Å; L710-C714 PolarHBondContact O-SG 2.77Å; L710-L726 HydrophobicContact CB-CD2 4.29Å; L710-L726 HydrophobicContact CD2-CD1 4Å; L710-L726 HydrophobicContact CD2-CD2 3.86Å; L710-L726 HydrophobicContact CG-CD2 3.76Å; L710-F836 HydrophobicContact CD2-CB 4.4Å; L710-F836 HydrophobicContact CD2-CD2 3.57Å; L710-F836 HydrophobicContact CD2-CE2 4.08Å; L710-F836 HydrophobicContact CD2-CG 4.09Å
711L97.8Very high95.3Very high0 Ų015.8 Ų15.80%07%0.071CC..Hα-helixtrans-60.2-44.9175.7-176.663.7000111P707 V708 S709 L713 C714 M715 C723 L726 V727 F730 L746 T774 L778P707-L711 PolarHBondContact O-N 3.42Å; V708-L711 PolarHBondContact O-N 2.66Å; S709-L711 PolarHBondContact O-N 3.12Å; L711-L713 VanDerWaalsContact C-N 3.34Å; L711-L713 PolarHBondContact O-N 2.85Å; L711-C714 PolarHBondContact O-N 3.08Å; L711-M715 HydrophobicContact CG-SD 4.26Å; L711-M715 WeakPolarHBondContact O-CB 3.32Å; L711-M715 VanDerWaalsContact O-CG 3.29Å; L711-M715 WeakPolarHBondContact O-CG 3.38Å; L711-M715 PolarHBondContact O-N 2.85Å; L711-C723 HydrophobicContact CD1-CB 3.79Å; L711-L726 HydrophobicContact CB-CD2 4.07Å; L711-L726 HydrophobicContact CD1-CD2 4.21Å; L711-V727 HydrophobicContact CD1-CB 4.46Å; L711-V727 HydrophobicContact CD2-CB 4.28Å; L711-V727 HydrophobicContact CD2-CG2 4.3Å; L711-F730 HydrophobicContact CB-CZ 4.13Å; L711-F730 HydrophobicContact CD2-CE2 3.97Å; L711-F730 HydrophobicContact CD2-CZ 4.02Å; L711-L746 HydrophobicContact CD2-CD2 4.33Å; L711-T774 HydrophobicContact CD1-CG2 4.14Å; L711-L778 HydrophobicContact CD2-CD1 3.91Å; L711-L778 HydrophobicContact CD2-CD2 3.67Å; L711-L778 HydrophobicContact CD2-CG 4.02Å
712A97.5Very high95.1Very high0 Ų013.8 Ų13.80%06%0.064CC..Hα-helixtrans-60.4-41.3177.100000112.6L672 V708 S709 L710 M715 L716 L746L672-A712 HydrophobicContact CD1-CB 3.98Å; V708-A712 WeakPolarHBondContact O-CB 3.4Å; V708-A712 PolarHBondContact O-N 3.18Å; S709-A712 WeakPolarHBondContact O-CB 3.38Å; S709-A712 PolarHBondContact O-N 3.35Å; L710-A712 VanDerWaalsContact C-N 3.32Å; L710-A712 PolarHBondContact O-N 3.26Å; A712-M715 PolarHBondContact O-N 3.24Å; A712-L716 WeakPolarHBondContact O-CB 3.5Å; A712-L716 PolarHBondContact O-N 3.47Å; A712-L746 HydrophobicContact CB-CD1 3.49Å; A712-L746 VanDerWaalsContact CB-CD1 3.49Å; A712-L746 HydrophobicContact CB-CD2 4.21Å; A712-L746 HydrophobicContact CB-CG 4.47Å
713L97Very high95.1Very high0 Ų013.8 Ų13.80%06%0.064CC..Hα-helixtrans-63.6-42.7174.5177.166.8000111.8L671 L684 F696 L699 W703 S709 L710 L711 M715 L716 T717L671-L713 HydrophobicContact CD2-CD1 4.08Å; L684-L713 HydrophobicContact CD1-CD1 4.32Å; F696-L713 HydrophobicContact CE2-CG 4.42Å; L699-L713 HydrophobicContact CB-CD2 3.91Å; L699-L713 HydrophobicContact CD2-CD1 4.25Å; W703-L713 HydrophobicContact CB-CD2 4.21Å; W703-L713 HydrophobicContact CD2-CD2 4.31Å; W703-L713 HydrophobicContact CG-CB 4.49Å; W703-L713 HydrophobicContact CG-CD2 3.83Å; S709-L713 PolarHBondContact O-N 3.47Å; L710-L713 PolarHBondContact O-N 3.42Å; L711-L713 VanDerWaalsContact C-N 3.34Å; L711-L713 PolarHBondContact O-N 2.85Å; L713-M715 VanDerWaalsContact C-N 3.34Å; L713-L716 PolarHBondContact O-N 2.88Å; L713-T717 HydrophobicContact CD1-CG2 4.3Å; L713-T717 WeakPolarHBondContact O-CB 3.44Å; L713-T717 WeakPolarHBondContact O-CG2 3.48Å; L713-T717 PolarHBondContact O-N 3.45Å; L713-T717 PolarHBondContact O-OG1 3.18Å
714C95.6Very high95Very high0 Ų014 Ų140%07%0.065CC..Hα-helixtrans-66.8-36.3177.3-64.70000111.7L710 L711 T717 E718 N719 C723L710-C714 PolarHBondContact O-N 3.16Å; L710-C714 PolarHBondContact O-SG 2.77Å; L711-C714 PolarHBondContact O-N 3.08Å; C714-T717 WeakPolarHBondContact CA-OG1 3.13Å; C714-T717 PolarHBondContact O-N 2.91Å; C714-T717 PolarHBondContact O-OG1 2.7Å; C714-E718 PolarHBondContact O-N 3.36Å; C714-N719 PolarHBondContact O-N 3.12Å; C714-C723 WeakPolarHBondContact CB-SG 3.31Å
715M95.2Very high94.9Very high1 Ų118.2 Ų18.21%0.0058%0.081CC..Hα-helixtrans-67.2-38.8173.4-73.3178.8111.800111.8L711 A712 L713 T717 E718 C723 L746 I750 F755 L758 L771 T774 L775 L778L711-M715 HydrophobicContact CG-SD 4.26Å; L711-M715 WeakPolarHBondContact O-CB 3.32Å; L711-M715 VanDerWaalsContact O-CG 3.29Å; L711-M715 WeakPolarHBondContact O-CG 3.38Å; L711-M715 PolarHBondContact O-N 2.85Å; A712-M715 PolarHBondContact O-N 3.24Å; L713-M715 VanDerWaalsContact C-N 3.34Å; M715-T717 VanDerWaalsContact C-N 3.35Å; M715-E718 PolarHBondContact O-N 2.99Å; M715-C723 PolarHBondContact N-SG 2.84Å; M715-L746 HydrophobicContact SD-CD2 4.38Å; M715-I750 HydrophobicContact CE-CD1 3.84Å; M715-I750 HydrophobicContact SD-CD1 4.4Å; M715-F755 HydrophobicContact CB-CE1 3.93Å; M715-L758 HydrophobicContact CB-CD1 3.78Å; M715-L758 HydrophobicContact CE-CD1 3.69Å; M715-L758 HydrophobicContact CG-CD1 4.13Å; M715-L758 HydrophobicContact SD-CD1 4.3Å; M715-L771 HydrophobicContact CE-CD1 4.29Å; M715-T774 HydrophobicContact CE-CG2 4.35Å; M715-L775 HydrophobicContact CE-CD2 3.54Å; M715-L775 HydrophobicContact CE-CG 4.45Å; M715-L778 HydrophobicContact CE-CD1 4.47Å
716L93.8Very high95Very high1 Ų116.9 Ų16.91%0.0058%0.076CC..Hα-helixtrans-67.1-36.8177177.967.1000111.8L671 L672 R681 L684 R685 A712 L713 E718 I754 F755L671-L716 HydrophobicContact CD1-CD2 4.4Å; L671-L716 HydrophobicContact CD2-CD2 3.97Å; L671-L716 HydrophobicContact CG-CD2 4.07Å; L672-L716 HydrophobicContact CD2-CD1 4.42Å; L672-L716 HydrophobicContact CD2-CD2 4.11Å; R681-L716 HydrophobicContact CG-CD2 4.45Å; L684-L716 HydrophobicContact CD1-CD2 4.29Å; R685-L716 WeakPolarHBondContact CG-O 3.38Å; A712-L716 WeakPolarHBondContact O-CB 3.5Å; A712-L716 PolarHBondContact O-N 3.47Å; L713-L716 PolarHBondContact O-N 2.88Å; L716-E718 VanDerWaalsContact C-N 3.28Å; L716-I754 HydrophobicContact CD1-CG2 4.05Å; L716-F755 HydrophobicContact CB-CE1 4.17Å; L716-F755 HydrophobicContact CB-CZ 4.42Å
717T93Very high95Very high9 Ų917 Ų176%0.0558%0.076CC..THydrogen-bonded Turntrans-887.3179.654.40000113.1L684 I687 F696 L713 C714 M715 N719L684-T717 HydrophobicContact CB-CG2 4.02Å; L684-T717 VanDerWaalsContact O-CG2 3.23Å; L684-T717 WeakPolarHBondContact O-CG2 3.49Å; I687-T717 HydrophobicContact CD1-CG2 4.44Å; F696-T717 HydrophobicContact CD2-CG2 3.81Å; F696-T717 HydrophobicContact CE2-CG2 3.76Å; F696-T717 WeakPolarHBondContact CE2-OG1 3.48Å; L713-T717 HydrophobicContact CD1-CG2 4.3Å; L713-T717 WeakPolarHBondContact O-CB 3.44Å; L713-T717 WeakPolarHBondContact O-CG2 3.48Å; L713-T717 PolarHBondContact O-N 3.45Å; L713-T717 PolarHBondContact O-OG1 3.18Å; C714-T717 WeakPolarHBondContact CA-OG1 3.13Å; C714-T717 PolarHBondContact O-N 2.91Å; C714-T717 PolarHBondContact O-OG1 2.7Å; M715-T717 VanDerWaalsContact C-N 3.35Å; T717-N719 VanDerWaalsContact C-N 3.27Å; T717-N719 WeakPolarHBondContact CB-ND2 3.23Å; T717-N719 PolarHBondContact O-N 3.48Å; T717-N719 PolarHBondContact O-ND2 2.85Å; T717-N719 PolarHBondContact OG1-ND2 3.36Å
718E91.5Very high94.9Very high44 Ų4421.9 Ų21.921%0.20610%0.097CC..THydrogen-bonded Turntrans6522.9173.4-48.6-176166.700114.8C714 M715 L716 Y720 S757 H761C714-E718 PolarHBondContact O-N 3.36Å; M715-E718 PolarHBondContact O-N 2.99Å; L716-E718 VanDerWaalsContact C-N 3.28Å; E718-Y720 VanDerWaalsContact C-N 3.33Å; E718-Y720 HydrophobicContact CB-CE2 4.14Å; E718-Y720 PolarHBondContact O-N 3.34Å; E718-Y720 VanDerWaalsContact O-N 3.12Å; E718-S757 PolarHBondContact OE1-OG 3.47Å; E718-H761 IonicContact OE1-CE1 3.33Å; E718-H761 IonicContact OE2-CE1 2.6Å; E718-H761 PolarHBondContact OE2-CE1 2.84Å
719N90.5Very high94.7Very high29 Ų2922 Ų2216%0.15510%0.098CC..  trans-88.258.5-179.4-68.6-68.3000112.5C714 T717 K721 H722 C723C714-N719 PolarHBondContact O-N 3.12Å; T717-N719 VanDerWaalsContact C-N 3.27Å; T717-N719 WeakPolarHBondContact CB-ND2 3.23Å; T717-N719 PolarHBondContact O-N 3.48Å; T717-N719 PolarHBondContact O-ND2 2.85Å; T717-N719 PolarHBondContact OG1-ND2 3.36Å; N719-K721 PolarHBondContact O-N 3.38Å; N719-H722 HydrophobicContact CB-CB 4.36Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; N719-C723 PolarHBondContact O-N 3.3Å; N719-C723 PolarHBondContact O-SG 2.81Å; N719-C723 VanDerWaalsContact O-SG 3.4Å
720Y93.2Very high94.4Very high5 Ų521.9 Ų21.92%0.0210%0.097CC..Hα-helixtrans-65-33.9-167.4-54.2-55000115.5E718 H722 C723 S724 L758 H761 F767 L771E718-Y720 VanDerWaalsContact C-N 3.33Å; E718-Y720 HydrophobicContact CB-CE2 4.14Å; E718-Y720 PolarHBondContact O-N 3.34Å; E718-Y720 VanDerWaalsContact O-N 3.12Å; Y720-H722 PolarHBondContact O-N 3.49Å; Y720-C723 WeakPolarHBondContact O-CB 2.81Å; Y720-C723 PolarHBondContact O-N 3.42Å; Y720-C723 VanDerWaalsContact O-N 3.15Å; Y720-S724 PolarHBondContact O-N 3.41Å; Y720-L758 HydrophobicContact CE1-CD1 4.23Å; Y720-L758 HydrophobicContact CE1-CG 4.3Å; Y720-H761 HydrophobicContact CE2-CB 4.1Å; Y720-H761 AromaticContact CE2-ND1 3.49Å; Y720-H761 WeakPolarHBondContact CE2-ND1 3.43Å; Y720-H761 AromaticContact CZ-ND1 3.61Å; Y720-H761 PolarHBondContact OH-ND1 2.93Å; Y720-F767 HydrophobicContact CD2-CB 3.7Å; Y720-F767 AromaticContact CD2-CD1 3.67Å; Y720-F767 HydrophobicContact CD2-CD1 3.67Å; Y720-F767 AromaticContact CD2-CG 3.86Å; Y720-F767 HydrophobicContact CD2-CG 3.86Å; Y720-F767 HydrophobicContact CE2-CB 3.94Å; Y720-F767 AromaticContact CE2-CD1 3.96Å; Y720-F767 HydrophobicContact CE2-CD1 3.96Å; Y720-F767 AromaticContact CE2-CG 3.89Å; Y720-F767 HydrophobicContact CE2-CG 3.89Å; Y720-L771 HydrophobicContact CD1-CB 4.31Å; Y720-L771 HydrophobicContact CD1-CD1 3.75Å; Y720-L771 HydrophobicContact CD1-CG 4.4Å; Y720-L771 HydrophobicContact CE1-CD1 3.89Å; Y720-L771 HydrophobicContact CE1-CD2 4.26Å; Y720-L771 HydrophobicContact CG-CB 4.15Å; Y720-L771 HydrophobicContact CG-CD1 4.44Å
721K92Very high93.9Very high151 Ų15125.1 Ų25.166%0.65713%0.131SC*.Hα-helixtrans-56.8-41.9173-72175.4-177.7172.70111.3N719 R725 D770N719-K721 PolarHBondContact O-N 3.38Å; K721-R725 PolarHBondContact O-N 2.71Å; K721-D770 HydrophobicContact CG-CB 4.42Å; K721-D770 WeakPolarHBondContact CG-OD2 2.92Å
722H93.6Very high93.4Very high13 Ų1331.7 Ų31.76%0.0617%0.166CC..Hα-helixtrans-72.7-37.5177.3-164.468.7000111.8Y700 N719 Y720 S724 R725 L726 F829Y700-H722 AromaticContact CE2-CD2 3.81Å; Y700-H722 AromaticContact CE2-NE2 3.37Å; Y700-H722 WeakPolarHBondContact CE2-NE2 3.26Å; Y700-H722 AromaticContact CZ-NE2 3.45Å; Y700-H722 PolarHBondContact OH-NE2 2.82Å; N719-H722 HydrophobicContact CB-CB 4.36Å; N719-H722 WeakPolarHBondContact O-CB 3.45Å; N719-H722 PolarHBondContact O-N 3.38Å; Y720-H722 PolarHBondContact O-N 3.49Å; H722-S724 PolarHBondContact O-N 3.23Å; H722-R725 PolarHBondContact O-N 3.48Å; H722-L726 WeakPolarHBondContact O-CB 3.39Å; H722-L726 PolarHBondContact O-N 3.42Å; H722-F829 HydrophobicContact CB-CD1 4.22Å; H722-F829 HydrophobicContact CB-CE1 4.48Å; H722-F829 AromaticContact CD2-CD1 3.89Å; H722-F829 AromaticContact CE1-CD1 3.89Å; H722-F829 AromaticContact CG-CD1 3.67Å; H722-F829 AromaticContact ND1-CD1 3.71Å
723C95.7Very high93Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-56.7-46.7172.2-63.30000112.4L711 C714 M715 N719 Y720 R725 L726 V727 T774L711-C723 HydrophobicContact CD1-CB 3.79Å; C714-C723 WeakPolarHBondContact CB-SG 3.31Å; M715-C723 PolarHBondContact N-SG 2.84Å; N719-C723 PolarHBondContact O-N 3.3Å; N719-C723 PolarHBondContact O-SG 2.81Å; N719-C723 VanDerWaalsContact O-SG 3.4Å; Y720-C723 WeakPolarHBondContact O-CB 2.81Å; Y720-C723 PolarHBondContact O-N 3.42Å; Y720-C723 VanDerWaalsContact O-N 3.15Å; C723-R725 VanDerWaalsContact C-N 3.33Å; C723-R725 PolarHBondContact O-N 3.2Å; C723-L726 PolarHBondContact O-N 3Å; C723-V727 WeakPolarHBondContact O-CG1 3.33Å; C723-V727 PolarHBondContact O-N 2.99Å; C723-T774 HydrophobicContact CB-CG2 3.76Å
724S94.5Very high92.4Very high5 Ų536.7 Ų36.74%0.03520%0.196CC..Hα-helixtrans-59.7-45.7178.5168.60000110.8Y720 H722 L726 V727 K728 E773 T774Y720-S724 PolarHBondContact O-N 3.41Å; H722-S724 PolarHBondContact O-N 3.23Å; S724-L726 PolarHBondContact O-N 2.93Å; S724-V727 WeakPolarHBondContact O-CG1 3.44Å; S724-K728 WeakPolarHBondContact O-CB 3.19Å; S724-K728 WeakPolarHBondContact O-CD 3.39Å; S724-K728 VanDerWaalsContact O-CG 3.24Å; S724-K728 WeakPolarHBondContact O-CG 3.31Å; S724-K728 PolarHBondContact O-N 3.07Å; S724-K728 PolarHBondContact OG-NZ 2.74Å; S724-E773 PolarHBondContact OG-OE2 2.66Å; S724-T774 VanDerWaalsContact CA-OG1 3.28Å; S724-T774 WeakPolarHBondContact CA-OG1 3.49Å; S724-T774 PolarHBondContact N-OG1 3.24Å; S724-T774 VanDerWaalsContact N-OG1 3.08Å
725R94.6Very high92Very high89 Ų8939.8 Ų39.834%0.33621%0.212SC..Hα-helixtrans-61.9-44.2175.9-171.9-172.6170.4173.40112.2K721 H722 C723 S729 N830 F833K721-R725 PolarHBondContact O-N 2.71Å; H722-R725 PolarHBondContact O-N 3.48Å; C723-R725 VanDerWaalsContact C-N 3.33Å; C723-R725 PolarHBondContact O-N 3.2Å; R725-S729 PolarHBondContact O-N 3.47Å; R725-N830 PolarHBondContact NH1-OD1 3.19Å; R725-F833 HydrophobicContact CB-CE2 4.45Å; R725-F833 HydrophobicContact CG-CD2 4.17Å; R725-F833 HydrophobicContact CG-CE2 3.61Å; R725-F833 HydrophobicContact CG-CZ 3.79Å; R725-F833 VanDerWaalsContact CZ-CD1 3.44Å
726L95.5Very high91.7Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-64.7-50.6-178.5-172.669.6000111.9L710 L711 H722 C723 S724 K728 S729 F730 F833 F836L710-L726 HydrophobicContact CB-CD2 4.29Å; L710-L726 HydrophobicContact CD2-CD1 4Å; L710-L726 HydrophobicContact CD2-CD2 3.86Å; L710-L726 HydrophobicContact CG-CD2 3.76Å; L711-L726 HydrophobicContact CB-CD2 4.07Å; L711-L726 HydrophobicContact CD1-CD2 4.21Å; H722-L726 WeakPolarHBondContact O-CB 3.39Å; H722-L726 PolarHBondContact O-N 3.42Å; C723-L726 PolarHBondContact O-N 3Å; S724-L726 PolarHBondContact O-N 2.93Å; L726-K728 VanDerWaalsContact C-N 3.28Å; L726-K728 PolarHBondContact O-N 2.88Å; L726-S729 PolarHBondContact O-N 3.18Å; L726-S729 PolarHBondContact O-OG 2.94Å; L726-F730 HydrophobicContact CG-CE1 4.03Å; L726-F730 VanDerWaalsContact O-CD1 3.3Å; L726-F730 WeakPolarHBondContact O-CD1 3.37Å; L726-F833 HydrophobicContact CD1-CE2 4.45Å; L726-F836 HydrophobicContact CD1-CD1 3.56Å; L726-F836 HydrophobicContact CD1-CD2 4.32Å; L726-F836 HydrophobicContact CD1-CE1 3.5Å; L726-F836 VanDerWaalsContact CD1-CE1 3.5Å; L726-F836 HydrophobicContact CD1-CE2 4.26Å; L726-F836 HydrophobicContact CD1-CG 3.98Å; L726-F836 HydrophobicContact CD1-CZ 3.87Å
727V95Very high91.6Very high3 Ų345.9 Ų45.92%0.01825%0.248CC..Hα-helixtrans-66-30.9-178.671.10000112.3L711 C723 S724 S729 F730 T774 C777 L778L711-V727 HydrophobicContact CD1-CB 4.46Å; L711-V727 HydrophobicContact CD2-CB 4.28Å; L711-V727 HydrophobicContact CD2-CG2 4.3Å; C723-V727 WeakPolarHBondContact O-CG1 3.33Å; C723-V727 PolarHBondContact O-N 2.99Å; S724-V727 WeakPolarHBondContact O-CG1 3.44Å; V727-S729 PolarHBondContact O-N 3.48Å; V727-F730 HydrophobicContact CG2-CD2 3.99Å; V727-F730 HydrophobicContact CG2-CE2 4.31Å; V727-F730 HydrophobicContact CG2-CG 4.39Å; V727-F730 WeakPolarHBondContact O-CB 3.49Å; V727-F730 PolarHBondContact O-N 2.92Å; V727-T774 HydrophobicContact CG1-CG2 4.03Å; V727-C777 HydrophobicContact CB-CB 4.28Å; V727-C777 HydrophobicContact CG1-CB 3.47Å; V727-C777 VanDerWaalsContact CG1-CB 3.47Å; V727-C777 HydrophobicContact CG2-CB 3.78Å; V727-L778 HydrophobicContact CG2-CD2 3.9Å; V727-L778 HydrophobicContact CG2-CG 3.94Å
728K93.9Very high91.4Very high103 Ų10350.4 Ų50.445%0.44827%0.269SS..Hα-helixtrans-62.8-33.4173.4-76.6170.7178.81690112.5S724 L726 F730 E773S724-K728 WeakPolarHBondContact O-CB 3.19Å; S724-K728 WeakPolarHBondContact O-CD 3.39Å; S724-K728 VanDerWaalsContact O-CG 3.24Å; S724-K728 WeakPolarHBondContact O-CG 3.31Å; S724-K728 PolarHBondContact O-N 3.07Å; S724-K728 PolarHBondContact OG-NZ 2.74Å; L726-K728 VanDerWaalsContact C-N 3.28Å; L726-K728 PolarHBondContact O-N 2.88Å; K728-F730 PolarHBondContact O-N 3.36Å; K728-E773 WeakPolarHBondContact CE-OE1 3.46Å; K728-E773 IonicContact NZ-OE1 2.69Å; K728-E773 PolarHBondContact NZ-OE1 3.37Å; K728-E773 IonicContact NZ-OE2 2.82Å; K728-E773 PolarHBondContact NZ-OE2 2.79Å
729S92.9Very high91.4Very high5 Ų548.5 Ų48.54%0.03526%0.26CS..G310 helixtrans-73.7-6.917469.40000113.9R725 L726 V727 G731 D732 H837R725-S729 PolarHBondContact O-N 3.47Å; L726-S729 PolarHBondContact O-N 3.18Å; L726-S729 PolarHBondContact O-OG 2.94Å; V727-S729 PolarHBondContact O-N 3.48Å; S729-G731 PolarHBondContact O-N 3.29Å; S729-D732 PolarHBondContact O-N 3.29Å; S729-H837 WeakPolarHBondContact CB-NE2 3.47Å
730F92.3Very high91.6Very high1 Ų149.6 Ų49.60%0.00427%0.266CS..G310 helixtrans-65-23178.4-75.610.6000112.9P707 V708 L711 L726 V727 K728 D732 I733 I735 M743 L778P707-F730 HydrophobicContact CB-CD1 4.49Å; P707-F730 HydrophobicContact CB-CE1 3.74Å; P707-F730 HydrophobicContact CB-CZ 3.91Å; P707-F730 WeakPolarHBondContact O-CZ 3.47Å; V708-F730 HydrophobicContact CG2-CE2 4.48Å; L711-F730 HydrophobicContact CB-CZ 4.13Å; L711-F730 HydrophobicContact CD2-CE2 3.97Å; L711-F730 HydrophobicContact CD2-CZ 4.02Å; L726-F730 HydrophobicContact CG-CE1 4.03Å; L726-F730 VanDerWaalsContact O-CD1 3.3Å; L726-F730 WeakPolarHBondContact O-CD1 3.37Å; V727-F730 HydrophobicContact CG2-CD2 3.99Å; V727-F730 HydrophobicContact CG2-CE2 4.31Å; V727-F730 HydrophobicContact CG2-CG 4.39Å; V727-F730 WeakPolarHBondContact O-CB 3.49Å; V727-F730 PolarHBondContact O-N 2.92Å; K728-F730 PolarHBondContact O-N 3.36Å; F730-D732 VanDerWaalsContact C-N 3.26Å; F730-D732 PolarHBondContact O-N 3.49Å; F730-I733 HydrophobicContact CB-CD1 4.48Å; F730-I733 HydrophobicContact CD1-CD1 3.89Å; F730-I733 HydrophobicContact CE1-CD1 4.43Å; F730-I733 HydrophobicContact CG-CD1 4.28Å; F730-I733 WeakPolarHBondContact O-CG1 3.5Å; F730-I735 HydrophobicContact CB-CD1 4.26Å; F730-I735 WeakPolarHBondContact O-CD1 3.37Å; F730-M743 HydrophobicContact CD2-CE 3.5Å; F730-M743 HydrophobicContact CE2-CE 3.78Å; F730-L778 HydrophobicContact CE2-CD2 4.48Å
731G86.7Confident91.5Very high69 Ų6952.1 Ų52.171%0.71128%0.283SS*.G310 helixtrans-70.5-21172.900000114S729S729-G731 PolarHBondContact O-N 3.29Å
732D87.6Confident91.6Very high138 Ų13845.3 Ų45.374%0.73825%0.254SS*.THydrogen-bonded Turntrans-92.7-15.5-177.6-59.5-38.6000112.7S729 F730S729-D732 PolarHBondContact O-N 3.29Å; F730-D732 VanDerWaalsContact C-N 3.26Å; F730-D732 PolarHBondContact O-N 3.49Å
733I88Confident91.7Very high17 Ų1744.7 Ų44.79%0.08725%0.251CS..SBendtrans-96.4156.1177.367.9178.5000110.9P707 F730 I735 F836 Q840P707-I733 HydrophobicContact CB-CD1 3.8Å; P707-I733 HydrophobicContact CG-CD1 3.87Å; F730-I733 HydrophobicContact CB-CD1 4.48Å; F730-I733 HydrophobicContact CD1-CD1 3.89Å; F730-I733 HydrophobicContact CE1-CD1 4.43Å; F730-I733 HydrophobicContact CG-CD1 4.28Å; F730-I733 WeakPolarHBondContact O-CG1 3.5Å; I733-I735 HydrophobicContact CD1-CD1 4.28Å; I733-I735 HydrophobicContact CG1-CD1 4.02Å; I733-I735 PolarHBondContact O-N 2.95Å; I733-I735 VanDerWaalsContact O-N 3.1Å; I733-F836 HydrophobicContact CD1-CZ 4.4Å; I733-Q840 HydrophobicContact CG2-CB 4.19Å; I733-Q840 HydrophobicContact CG2-CG 4.24Å
734V86Confident91.6Very high88 Ų8846.1 Ų46.153%0.53326%0.259SS..  trans-72.7106.7175-178.10000109.9T736V734-T736 PolarHBondContact O-N 3.34Å
735I87.6Confident91.5Very high65 Ų6548.5 Ų48.533%0.33327%0.27SS..  trans-73.9109.4174.2-59.1-62.2000109.6F730 I733 T739 L740 M743F730-I735 HydrophobicContact CB-CD1 4.26Å; F730-I735 WeakPolarHBondContact O-CD1 3.37Å; I733-I735 HydrophobicContact CD1-CD1 4.28Å; I733-I735 HydrophobicContact CG1-CD1 4.02Å; I733-I735 PolarHBondContact O-N 2.95Å; I733-I735 VanDerWaalsContact O-N 3.1Å; I735-T739 WeakPolarHBondContact CG2-OG1 3.43Å; I735-L740 HydrophobicContact CG2-CD1 4.34Å; I735-L740 HydrophobicContact CG2-CD2 3.57Å; I735-L740 HydrophobicContact CG2-CG 3.7Å; I735-M743 HydrophobicContact CD1-CE 3.9Å
736T88.9Confident91.5Very high23 Ų2344.6 Ų44.614%0.14126%0.256CS..  trans-90.4164.5176.379.60000111.7V734 E738 T739 L740V734-T736 PolarHBondContact O-N 3.34Å; T736-E738 WeakPolarHBondContact CB-OE2 3.29Å; T736-E738 PolarHBondContact O-N 3.28Å; T736-E738 PolarHBondContact OG1-N 3.38Å; T736-E738 PolarHBondContact OG1-OE2 3.02Å; T736-T739 PolarHBondContact N-OG1 3.18Å; T736-T739 PolarHBondContact O-N 3.48Å; T736-T739 VanDerWaalsContact O-N 3.1Å; T736-T739 PolarHBondContact O-OG1 3.34Å; T736-T739 PolarHBondContact OG1-N 3.4Å; T736-L740 PolarHBondContact O-N 2.9Å
737V90.2Very high91.5Very high106 Ų10644.7 Ų44.764%0.64226%0.256SS*.Hα-helixtrans-59.1-38.5175.6179.70000110.9T739 L740 C741V737-T739 VanDerWaalsContact C-N 3.35Å; V737-T739 PolarHBondContact O-N 2.94Å; V737-L740 PolarHBondContact O-N 3.38Å; V737-C741 PolarHBondContact O-N 2.93Å; V737-C741 PolarHBondContact O-SG 3.46Å; V737-C741 VanDerWaalsContact O-SG 3.33Å
738E89.7Confident91.3Very high105 Ų10545 Ų4549%0.49126%0.257SS..Hα-helixtrans-62.5-41.5175.9-55.480.6-177.800111.6F661 T736 L740 C741 D742F661-E738 HydrophobicContact CE1-CB 3.72Å; F661-E738 HydrophobicContact CZ-CB 3.86Å; T736-E738 WeakPolarHBondContact CB-OE2 3.29Å; T736-E738 PolarHBondContact O-N 3.28Å; T736-E738 PolarHBondContact OG1-N 3.38Å; T736-E738 PolarHBondContact OG1-OE2 3.02Å; E738-L740 VanDerWaalsContact C-N 3.32Å; E738-L740 PolarHBondContact O-N 2.86Å; E738-C741 WeakPolarHBondContact O-CB 3.39Å; E738-C741 PolarHBondContact O-N 3.32Å; E738-D742 PolarHBondContact O-N 2.94Å
739T92Very high91.1Very high4 Ų440.3 Ų40.33%0.02524%0.237CC..Hα-helixtrans-64.7-36.4175.461.20000112.3F661 P707 I735 T736 V737 D742 M743F661-T739 HydrophobicContact CE2-CG2 3.93Å; F661-T739 HydrophobicContact CZ-CG2 4.11Å; P707-T739 HydrophobicContact CG-CG2 4.01Å; I735-T739 WeakPolarHBondContact CG2-OG1 3.43Å; T736-T739 PolarHBondContact N-OG1 3.18Å; T736-T739 PolarHBondContact O-N 3.48Å; T736-T739 VanDerWaalsContact O-N 3.1Å; T736-T739 PolarHBondContact O-OG1 3.34Å; T736-T739 PolarHBondContact OG1-N 3.4Å; V737-T739 VanDerWaalsContact C-N 3.35Å; V737-T739 PolarHBondContact O-N 2.94Å; T739-D742 PolarHBondContact O-N 3.31Å; T739-M743 WeakPolarHBondContact O-CG 3.35Å; T739-M743 PolarHBondContact O-N 3.48Å
740L92.9Very high91.1Very high52 Ų5240.2 Ų40.227%0.27224%0.236SC..Hα-helixtrans-66.5-41.2174.3-68176.4000111.8I735 T736 V737 E738 D742 M743 D744I735-L740 HydrophobicContact CG2-CD1 4.34Å; I735-L740 HydrophobicContact CG2-CD2 3.57Å; I735-L740 HydrophobicContact CG2-CG 3.7Å; T736-L740 PolarHBondContact O-N 2.9Å; V737-L740 PolarHBondContact O-N 3.38Å; E738-L740 VanDerWaalsContact C-N 3.32Å; E738-L740 PolarHBondContact O-N 2.86Å; L740-D742 VanDerWaalsContact C-N 3.33Å; L740-D742 PolarHBondContact O-N 3.4Å; L740-M743 PolarHBondContact O-N 3.34Å; L740-D744 PolarHBondContact O-N 2.91Å
741C92.6Very high91Very high57 Ų5742.4 Ų42.439%0.38525%0.246SC..Hα-helixtrans-60.9-42.3173.2-68.50000111.8V737 E738 M743 D744 Q745V737-C741 PolarHBondContact O-N 2.93Å; V737-C741 PolarHBondContact O-SG 3.46Å; V737-C741 VanDerWaalsContact O-SG 3.33Å; E738-C741 WeakPolarHBondContact O-CB 3.39Å; E738-C741 PolarHBondContact O-N 3.32Å; C741-M743 VanDerWaalsContact C-N 3.34Å; C741-D744 PolarHBondContact O-N 3.05Å; C741-Q745 WeakPolarHBondContact O-CG 3.46Å; C741-Q745 PolarHBondContact O-N 3.23Å
742D94.4Very high91.2Very high8 Ų839.2 Ų39.24%0.04321%0.213CC..Hα-helixtrans-65.5-37.6176.7-75.7-16.9000112F661 Q665 N706 V708 E738 T739 L740 Q745 L746F661-D742 WeakPolarHBondContact CZ-OD2 3.5Å; Q665-D742 PolarHBondContact NE2-OD1 2.91Å; N706-D742 PolarHBondContact ND2-OD2 3.3Å; V708-D742 HydrophobicContact CB-CB 3.72Å; V708-D742 HydrophobicContact CG1-CB 3.84Å; V708-D742 WeakPolarHBondContact CG1-O 3.48Å; V708-D742 HydrophobicContact CG2-CB 3.92Å; E738-D742 PolarHBondContact O-N 2.94Å; T739-D742 PolarHBondContact O-N 3.31Å; L740-D742 VanDerWaalsContact C-N 3.33Å; L740-D742 PolarHBondContact O-N 3.4Å; D742-Q745 PolarHBondContact O-N 2.95Å; D742-L746 WeakPolarHBondContact O-CB 3.4Å; D742-L746 PolarHBondContact O-N 3.2Å
743M94.8Very high91.2Very high0 Ų035.2 Ų35.20%019%0.194CC..Hα-helixtrans-63.7-45.6175.3-70.9-175.4-158.200110.5V708 F730 I735 T739 L740 C741 Q745 L746 I747 L778 C781 L782V708-M743 HydrophobicContact CG1-CG 4.2Å; V708-M743 HydrophobicContact CG2-CE 4.11Å; V708-M743 HydrophobicContact CG2-CG 3.57Å; F730-M743 HydrophobicContact CD2-CE 3.5Å; F730-M743 HydrophobicContact CE2-CE 3.78Å; I735-M743 HydrophobicContact CD1-CE 3.9Å; T739-M743 WeakPolarHBondContact O-CG 3.35Å; T739-M743 PolarHBondContact O-N 3.48Å; L740-M743 PolarHBondContact O-N 3.34Å; C741-M743 VanDerWaalsContact C-N 3.34Å; M743-Q745 VanDerWaalsContact C-N 3.34Å; M743-Q745 PolarHBondContact O-N 3.1Å; M743-L746 PolarHBondContact O-N 3.03Å; M743-I747 WeakPolarHBondContact O-CG1 3.42Å; M743-I747 PolarHBondContact O-N 3.46Å; M743-L778 HydrophobicContact CG-CD2 4.5Å; M743-L778 HydrophobicContact SD-CD2 4.39Å; M743-C781 HydrophobicContact CE-CB 4.41Å; M743-C781 HydrophobicContact SD-CB 3.86Å; M743-L782 HydrophobicContact CB-CD2 3.59Å; M743-L782 HydrophobicContact CB-CG 4.3Å
744D93.8Very high91.3Very high30 Ų3035 Ų3516%0.1619%0.194CC..Hα-helixtrans-57.2-48.2176.6-165.5-71.5000110.8L740 C741 L746 I747 Q748 T785 A787L740-D744 PolarHBondContact O-N 2.91Å; C741-D744 PolarHBondContact O-N 3.05Å; D744-L746 PolarHBondContact O-N 3.17Å; D744-I747 PolarHBondContact O-N 3.44Å; D744-Q748 WeakPolarHBondContact O-CG 3.46Å; D744-Q748 PolarHBondContact O-N 3.46Å; D744-Q748 PolarHBondContact OD1-NE2 3.4Å; D744-T785 WeakPolarHBondContact OD2-CB 3.3Å; D744-T785 PolarHBondContact OD2-OG1 3.01Å; D744-A787 HydrophobicContact CB-CB 4.08Å; D744-A787 WeakPolarHBondContact OD2-CB 3.33Å
745Q92Very high91.7Very high56 Ų5630.9 Ų30.926%0.26217%0.169SC..Hα-helixtrans-61.4-42.4174.7-71.9-178.5-0.500112.8C741 D742 M743 I747 Q748 M749 Y917C741-Q745 WeakPolarHBondContact O-CG 3.46Å; C741-Q745 PolarHBondContact O-N 3.23Å; D742-Q745 PolarHBondContact O-N 2.95Å; M743-Q745 VanDerWaalsContact C-N 3.34Å; M743-Q745 PolarHBondContact O-N 3.1Å; Q745-I747 VanDerWaalsContact C-N 3.32Å; Q745-I747 PolarHBondContact O-N 3.46Å; Q745-Q748 WeakPolarHBondContact O-CB 3.27Å; Q745-Q748 PolarHBondContact O-N 2.73Å; Q745-M749 VanDerWaalsContact O-CG 3.28Å; Q745-M749 WeakPolarHBondContact O-CG 3.43Å; Q745-M749 PolarHBondContact O-N 3.44Å; Q745-Y917 HydrophobicContact CB-CE1 4.42Å; Q745-Y917 HydrophobicContact CG-CE1 4.45Å; Q745-Y917 HydrophobicContact CG-CE2 4.49Å
746L95.6Very high91.8Very high7 Ų730.2 Ų30.24%0.03717%0.17CC..Hα-helixtrans-60.7-42.4178.1175.957.5000111.3V708 L711 A712 M715 D742 M743 D744 Q748 M749 I750V708-L746 HydrophobicContact CG1-CB 3.93Å; V708-L746 HydrophobicContact CG1-CD2 3.69Å; V708-L746 HydrophobicContact CG1-CG 4.45Å; L711-L746 HydrophobicContact CD2-CD2 4.33Å; A712-L746 HydrophobicContact CB-CD1 3.49Å; A712-L746 VanDerWaalsContact CB-CD1 3.49Å; A712-L746 HydrophobicContact CB-CD2 4.21Å; A712-L746 HydrophobicContact CB-CG 4.47Å; M715-L746 HydrophobicContact SD-CD2 4.38Å; D742-L746 WeakPolarHBondContact O-CB 3.4Å; D742-L746 PolarHBondContact O-N 3.2Å; M743-L746 PolarHBondContact O-N 3.03Å; D744-L746 PolarHBondContact O-N 3.17Å; L746-Q748 VanDerWaalsContact C-N 3.34Å; L746-Q748 PolarHBondContact O-N 3Å; L746-M749 CarbonylContact O-C 3.52Å; L746-M749 WeakPolarHBondContact O-CA 3.43Å; L746-M749 WeakPolarHBondContact O-CB 3.31Å; L746-M749 PolarHBondContact O-N 2.79Å; L746-M749 VanDerWaalsContact O-N 3.1Å; L746-I750 WeakPolarHBondContact O-CG1 3.38Å; L746-I750 PolarHBondContact O-N 3.42Å
747I94.5Very high91.9Very high2 Ų230.3 Ų30.31%0.0117%0.171CC..Hα-helixtrans-62.6-43.3177.4-65.4-40.2000111.4M743 D744 Q745 M749 I750 L778 L782 A787 L791M743-I747 WeakPolarHBondContact O-CG1 3.42Å; M743-I747 PolarHBondContact O-N 3.46Å; D744-I747 PolarHBondContact O-N 3.44Å; Q745-I747 VanDerWaalsContact C-N 3.32Å; Q745-I747 PolarHBondContact O-N 3.46Å; I747-M749 VanDerWaalsContact C-N 3.26Å; I747-M749 PolarHBondContact O-N 3.48Å; I747-I750 HydrophobicContact CD1-CD1 3.85Å; I747-I750 WeakPolarHBondContact O-CB 3.2Å; I747-I750 PolarHBondContact O-N 2.72Å; I747-L778 HydrophobicContact CD1-CB 4.49Å; I747-L778 HydrophobicContact CD1-CD1 4.03Å; I747-L782 HydrophobicContact CD1-CD1 4.27Å; I747-L782 HydrophobicContact CG1-CD1 3.54Å; I747-A787 HydrophobicContact CB-CB 4.02Å; I747-A787 HydrophobicContact CG2-CB 4.07Å; I747-A787 WeakPolarHBondContact CG2-O 3.46Å; I747-L791 HydrophobicContact CD1-CD1 4.35Å; I747-L791 HydrophobicContact CD1-CD2 3.72Å; I747-L791 HydrophobicContact CD1-CG 4.45Å; I747-L791 HydrophobicContact CG1-CD2 4.24Å; I747-L791 HydrophobicContact CG2-CB 3.77Å
748Q90.1Very high92Very high10 Ų1025.3 Ų25.35%0.04714%0.141CC..Hα-helixtrans-60.8-39.6173.4-65.3176.935.800111.2D744 Q745 L746 I750 E751 A914 L918D744-Q748 WeakPolarHBondContact O-CG 3.46Å; D744-Q748 PolarHBondContact O-N 3.46Å; D744-Q748 PolarHBondContact OD1-NE2 3.4Å; Q745-Q748 WeakPolarHBondContact O-CB 3.27Å; Q745-Q748 PolarHBondContact O-N 2.73Å; L746-Q748 VanDerWaalsContact C-N 3.34Å; L746-Q748 PolarHBondContact O-N 3Å; Q748-I750 VanDerWaalsContact C-N 3.33Å; Q748-I750 PolarHBondContact O-N 3.33Å; Q748-E751 WeakPolarHBondContact O-CB 3.31Å; Q748-E751 PolarHBondContact O-N 2.74Å; Q748-A914 PolarHBondContact OE1-O 3.27Å; Q748-L918 HydrophobicContact CB-CD2 3.84Å; Q748-L918 HydrophobicContact CB-CG 4.22Å; Q748-L918 HydrophobicContact CG-CG 4.47Å
749M90.9Very high92.1Very high4 Ų422.6 Ų22.62%0.0213%0.126CC..Hα-helixtrans-66.4-29.9176.1-69.7-54.1-64.800113.1L672 T673 Q745 L746 I747 E751 S752 F755 Y917L672-M749 HydrophobicContact CB-CE 3.76Å; L672-M749 WeakPolarHBondContact O-CE 3.42Å; T673-M749 HydrophobicContact CG2-CE 3.69Å; T673-M749 HydrophobicContact CG2-SD 4.14Å; Q745-M749 VanDerWaalsContact O-CG 3.28Å; Q745-M749 WeakPolarHBondContact O-CG 3.43Å; Q745-M749 PolarHBondContact O-N 3.44Å; L746-M749 CarbonylContact O-C 3.52Å; L746-M749 WeakPolarHBondContact O-CA 3.43Å; L746-M749 WeakPolarHBondContact O-CB 3.31Å; L746-M749 PolarHBondContact O-N 2.79Å; L746-M749 VanDerWaalsContact O-N 3.1Å; I747-M749 VanDerWaalsContact C-N 3.26Å; I747-M749 PolarHBondContact O-N 3.48Å; M749-E751 PolarHBondContact O-N 3.21Å; M749-S752 WeakPolarHBondContact O-CB 3.05Å; M749-S752 PolarHBondContact O-N 3.4Å; M749-S752 PolarHBondContact O-OG 2.92Å; M749-F755 HydrophobicContact CB-CE2 4.41Å; M749-F755 VanDerWaalsContact O-CD2 3.3Å; M749-F755 WeakPolarHBondContact O-CD2 3.33Å; M749-Y917 HydrophobicContact CG-CE1 4.12Å; M749-Y917 HydrophobicContact SD-CE1 3.74Å
750I91.7Very high91.9Very high2 Ų227.1 Ų27.11%0.0115%0.148CC..Hα-helixtrans-61-30.9174.8-72.9168.4000111.7M715 L746 I747 Q748 S752 L758 R759 L775M715-I750 HydrophobicContact CE-CD1 3.84Å; M715-I750 HydrophobicContact SD-CD1 4.4Å; L746-I750 WeakPolarHBondContact O-CG1 3.38Å; L746-I750 PolarHBondContact O-N 3.42Å; I747-I750 HydrophobicContact CD1-CD1 3.85Å; I747-I750 WeakPolarHBondContact O-CB 3.2Å; I747-I750 PolarHBondContact O-N 2.72Å; Q748-I750 VanDerWaalsContact C-N 3.33Å; Q748-I750 PolarHBondContact O-N 3.33Å; I750-S752 VanDerWaalsContact C-N 3.27Å; I750-S752 PolarHBondContact O-N 3.25Å; I750-L758 HydrophobicContact CG2-CD2 4.11Å; I750-R759 WeakPolarHBondContact O-CD 3.44Å; I750-R759 PolarHBondContact O-NE 2.89Å; I750-L775 HydrophobicContact CD1-CD2 3.81Å
751E91.3Very high91.8Very high47 Ų4725.8 Ų25.822%0.2214%0.14CC..Hα-helixtrans-73.1-20.8175.2-65.9-59.4134.200112.8Q748 M749 R759 T790 R794Q748-E751 WeakPolarHBondContact O-CB 3.31Å; Q748-E751 PolarHBondContact O-N 2.74Å; M749-E751 PolarHBondContact O-N 3.21Å; E751-R759 PolarHBondContact O-NH2 3.42Å; E751-T790 HydrophobicContact CG-CG2 3.68Å; E751-R794 IonicContact OE1-CZ 3.27Å; E751-R794 IonicContact OE1-NE 3.89Å; E751-R794 PolarHBondContact OE1-NE 3.43Å; E751-R794 IonicContact OE1-NH2 2.7Å; E751-R794 PolarHBondContact OE1-NH2 3.3Å; E751-R794 IonicContact OE2-CZ 3.5Å; E751-R794 IonicContact OE2-NE 2.8Å; E751-R794 PolarHBondContact OE2-NE 3.1Å; E751-R794 IonicContact OE2-NH2 2.92Å; E751-R794 PolarHBondContact OE2-NH2 3.2Å
752S89.7Confident91.6Very high3 Ų323.1 Ų23.12%0.02112%0.122CC..SBendtrans-62156.3176.784.80000112.5M749 I750 I754 F755 R759M749-S752 WeakPolarHBondContact O-CB 3.05Å; M749-S752 PolarHBondContact O-N 3.4Å; M749-S752 PolarHBondContact O-OG 2.92Å; I750-S752 VanDerWaalsContact C-N 3.27Å; I750-S752 PolarHBondContact O-N 3.25Å; S752-I754 PolarHBondContact O-N 3.26Å; S752-I754 PolarHBondContact OG-N 3.1Å; S752-F755 PolarHBondContact O-N 3.31Å; S752-R759 PolarHBondContact O-NH2 3.28Å
753P89.4Confident91.1Very high53 Ų5326.6 Ų26.634%0.34414%0.141SC..G310 helixtrans-63.5-19.3177.827.7-38.7000113.7F755 S756 L925 I927P753-F755 VanDerWaalsContact C-N 3.27Å; P753-F755 PolarHBondContact O-N 2.86Å; P753-S756 WeakPolarHBondContact O-CB 3.3Å; P753-S756 PolarHBondContact O-N 3.17Å; P753-S756 VanDerWaalsContact O-N 3.1Å; P753-S756 PolarHBondContact O-OG 3.18Å; P753-L925 HydrophobicContact CG-CD1 3.96Å; P753-I927 HydrophobicContact CG-CD1 3.79Å
754I89.4Confident90.6Very high14 Ų1427.3 Ų27.37%0.07214%0.144CC..G310 helixtrans-61.4-41.3177.3-74.2166.4000109.7L672 R685 L716 S752 S756 L925L672-I754 HydrophobicContact CD2-CG2 4.26Å; L672-I754 WeakPolarHBondContact O-CD1 2.96Å; R685-I754 PolarHBondContact NH1-O 3.45Å; R685-I754 PolarHBondContact NH2-O 2.9Å; L716-I754 HydrophobicContact CD1-CG2 4.05Å; S752-I754 PolarHBondContact O-N 3.26Å; S752-I754 PolarHBondContact OG-N 3.1Å; I754-S756 VanDerWaalsContact C-N 3.26Å; I754-S756 PolarHBondContact O-N 3.14Å; I754-L925 HydrophobicContact CD1-CD1 4.41Å; I754-L925 HydrophobicContact CD1-CD2 3.66Å; I754-L925 HydrophobicContact CG1-CD2 4.28Å
755F93.7Very high90Very high1 Ų129.3 Ų29.30%0.00415%0.151CC..G310 helixtrans-90.424.8176.8-71.7-74000113.6L672 M715 L716 M749 S752 P753 S757 L758 R759L672-F755 HydrophobicContact CD1-CE2 4.13Å; L672-F755 HydrophobicContact CD1-CZ 4.27Å; L672-F755 HydrophobicContact CD2-CE2 3.84Å; L672-F755 HydrophobicContact CD2-CZ 3.77Å; M715-F755 HydrophobicContact CB-CE1 3.93Å; L716-F755 HydrophobicContact CB-CE1 4.17Å; L716-F755 HydrophobicContact CB-CZ 4.42Å; M749-F755 HydrophobicContact CB-CE2 4.41Å; M749-F755 VanDerWaalsContact O-CD2 3.3Å; M749-F755 WeakPolarHBondContact O-CD2 3.33Å; S752-F755 PolarHBondContact O-N 3.31Å; P753-F755 VanDerWaalsContact C-N 3.27Å; P753-F755 PolarHBondContact O-N 2.86Å; F755-S757 VanDerWaalsContact C-N 3.32Å; F755-S757 PolarHBondContact O-N 3.39Å; F755-L758 HydrophobicContact CB-CB 4.13Å; F755-L758 HydrophobicContact CD1-CB 4.01Å; F755-L758 HydrophobicContact CD1-CD1 3.67Å; F755-L758 HydrophobicContact CD1-CG 4.46Å; F755-L758 HydrophobicContact CE1-CD1 4.19Å; F755-L758 HydrophobicContact CG-CD1 4.48Å; F755-L758 WeakPolarHBondContact O-CB 3.17Å; F755-L758 PolarHBondContact O-N 2.97Å; F755-R759 PolarHBondContact O-N 3.47Å
756S91.1Very high89.5Confident51 Ų5134.1 Ų34.136%0.35717%0.167SC..Hα-helixtrans-57.3-42.217250.40000112.5P753 I754 R759 M760P753-S756 WeakPolarHBondContact O-CB 3.3Å; P753-S756 PolarHBondContact O-N 3.17Å; P753-S756 VanDerWaalsContact O-N 3.1Å; P753-S756 PolarHBondContact O-OG 3.18Å; I754-S756 VanDerWaalsContact C-N 3.26Å; I754-S756 PolarHBondContact O-N 3.14Å; S756-R759 PolarHBondContact O-N 3.18Å; S756-M760 WeakPolarHBondContact O-CG 3.39Å; S756-M760 PolarHBondContact O-N 3.22Å
757S89Confident88.9Confident25 Ų2535.2 Ų35.218%0.17517%0.172CC..Hα-helixtrans-61.9-45.9176.559.90000111.4E718 F755 R759 M760 H761E718-S757 PolarHBondContact OE1-OG 3.47Å; F755-S757 VanDerWaalsContact C-N 3.32Å; F755-S757 PolarHBondContact O-N 3.39Å; S757-R759 VanDerWaalsContact C-N 3.33Å; S757-R759 PolarHBondContact O-N 3.21Å; S757-M760 CarbonylContact O-C 3.58Å; S757-M760 PolarHBondContact O-N 3.3Å; S757-M760 VanDerWaalsContact O-N 3.13Å; S757-H761 WeakPolarHBondContact O-CB 3.48Å; S757-H761 PolarHBondContact O-CD2 3.45Å; S757-H761 PolarHBondContact O-N 3.1Å; S757-H761 PolarHBondContact O-ND1 3.01Å
758L92.4Very high88.2Confident0 Ų035.3 Ų35.30%017%0.173CC..Hα-helixtrans-55.8-46.7174.1-177.3155.4000111.7M715 Y720 I750 F755 M760 H761 M762 L771M715-L758 HydrophobicContact CB-CD1 3.78Å; M715-L758 HydrophobicContact CE-CD1 3.69Å; M715-L758 HydrophobicContact CG-CD1 4.13Å; M715-L758 HydrophobicContact SD-CD1 4.3Å; Y720-L758 HydrophobicContact CE1-CD1 4.23Å; Y720-L758 HydrophobicContact CE1-CG 4.3Å; I750-L758 HydrophobicContact CG2-CD2 4.11Å; F755-L758 HydrophobicContact CB-CB 4.13Å; F755-L758 HydrophobicContact CD1-CB 4.01Å; F755-L758 HydrophobicContact CD1-CD1 3.67Å; F755-L758 HydrophobicContact CD1-CG 4.46Å; F755-L758 HydrophobicContact CE1-CD1 4.19Å; F755-L758 HydrophobicContact CG-CD1 4.48Å; F755-L758 WeakPolarHBondContact O-CB 3.17Å; F755-L758 PolarHBondContact O-N 2.97Å; L758-M760 VanDerWaalsContact C-N 3.33Å; L758-M760 PolarHBondContact O-N 2.61Å; L758-H761 WeakPolarHBondContact O-CB 3.44Å; L758-H761 PolarHBondContact O-N 3.44Å; L758-H761 VanDerWaalsContact O-N 3.13Å; L758-M762 HydrophobicContact CD2-SD 4.34Å; L758-M762 WeakPolarHBondContact O-CG 3.1Å; L758-M762 PolarHBondContact O-N 2.97Å; L758-M762 VanDerWaalsContact O-N 3.12Å; L758-L771 HydrophobicContact CD1-CD1 4.19Å; L758-L771 HydrophobicContact CD2-CD1 4.13Å; L758-L771 HydrophobicContact CD2-CD2 4.29Å; L758-L771 HydrophobicContact CG-CD1 3.94Å; L758-L771 HydrophobicContact CG-CD2 4.07Å; L758-L771 WeakPolarHBondContact O-CD2 3.46Å
759R92Very high88.1Confident49 Ų4938.1 Ų38.119%0.18520%0.197CC..Hα-helixtrans-64.4-35.9177.7-72.1-176-76.9132.8-6.4112.8I750 E751 S752 F755 S756 S757 M762 R794I750-R759 WeakPolarHBondContact O-CD 3.44Å; I750-R759 PolarHBondContact O-NE 2.89Å; E751-R759 PolarHBondContact O-NH2 3.42Å; S752-R759 PolarHBondContact O-NH2 3.28Å; F755-R759 PolarHBondContact O-N 3.47Å; S756-R759 PolarHBondContact O-N 3.18Å; S757-R759 VanDerWaalsContact C-N 3.33Å; S757-R759 PolarHBondContact O-N 3.21Å; R759-M762 HydrophobicContact CG-SD 4.49Å; R759-R794 VanDerWaalsContact CD-NH2 3.34Å
760M89Confident88.1Confident99 Ų9939.8 Ų39.849%0.48821%0.206SC..Hα-helixtrans-68.4-37.3171.7-65-57.9109.600111.7S756 S757 L758 M762 L763S756-M760 WeakPolarHBondContact O-CG 3.39Å; S756-M760 PolarHBondContact O-N 3.22Å; S757-M760 CarbonylContact O-C 3.58Å; S757-M760 PolarHBondContact O-N 3.3Å; S757-M760 VanDerWaalsContact O-N 3.13Å; L758-M760 VanDerWaalsContact C-N 3.33Å; L758-M760 PolarHBondContact O-N 2.61Å; M760-M762 PolarHBondContact O-N 3.22Å; M760-L763 WeakPolarHBondContact O-CB 3.28Å; M760-L763 PolarHBondContact O-N 3.48Å
761H90.6Very high88.2Confident24 Ų2439.7 Ų39.711%0.11121%0.206CC..Hα-helixtrans-67.8-19.7178.1-65.6167.7000113.3E718 Y720 S757 L758 L763 D764 F767 L771E718-H761 IonicContact OE1-CE1 3.33Å; E718-H761 IonicContact OE2-CE1 2.6Å; E718-H761 PolarHBondContact OE2-CE1 2.84Å; Y720-H761 HydrophobicContact CE2-CB 4.1Å; Y720-H761 AromaticContact CE2-ND1 3.49Å; Y720-H761 WeakPolarHBondContact CE2-ND1 3.43Å; Y720-H761 AromaticContact CZ-ND1 3.61Å; Y720-H761 PolarHBondContact OH-ND1 2.93Å; S757-H761 WeakPolarHBondContact O-CB 3.48Å; S757-H761 PolarHBondContact O-CD2 3.45Å; S757-H761 PolarHBondContact O-N 3.1Å; S757-H761 PolarHBondContact O-ND1 3.01Å; L758-H761 WeakPolarHBondContact O-CB 3.44Å; L758-H761 PolarHBondContact O-N 3.44Å; L758-H761 VanDerWaalsContact O-N 3.13Å; H761-L763 PolarHBondContact O-N 2.87Å; H761-D764 PolarHBondContact O-N 3.38Å; H761-F767 HydrophobicContact CB-CB 4.11Å; H761-F767 HydrophobicContact CB-CD2 3.96Å; H761-F767 HydrophobicContact CB-CG 4.34Å; H761-F767 AromaticContact CD2-CD2 3.91Å; H761-F767 AromaticContact CG-CD2 3.75Å; H761-L771 HydrophobicContact CB-CD2 3.95Å
762M87.2Confident88.2Confident1 Ų138.6 Ų38.61%0.00520%0.2CC..THydrogen-bonded Turntrans-63.8-20.3169.9-62.4170.172.800112.8L758 R759 M760 L771 R772 L775 R794 L795 L798L758-M762 HydrophobicContact CD2-SD 4.34Å; L758-M762 WeakPolarHBondContact O-CG 3.1Å; L758-M762 PolarHBondContact O-N 2.97Å; L758-M762 VanDerWaalsContact O-N 3.12Å; R759-M762 HydrophobicContact CG-SD 4.49Å; M760-M762 PolarHBondContact O-N 3.22Å; M762-L771 HydrophobicContact CB-CD2 4.49Å; M762-L771 HydrophobicContact CG-CD2 3.65Å; M762-L771 HydrophobicContact CG-CG 4.13Å; M762-R772 PolarHBondContact O-NE 2.88Å; M762-R772 PolarHBondContact O-NH2 3.04Å; M762-L775 HydrophobicContact CE-CD1 3.43Å; M762-L775 VanDerWaalsContact CE-CD1 3.43Å; M762-L775 HydrophobicContact CG-CD1 4.15Å; M762-L775 HydrophobicContact SD-CD1 3.74Å; M762-R794 HydrophobicContact CE-CG 4.05Å; M762-R794 HydrophobicContact SD-CG 4.5Å; M762-L795 HydrophobicContact CE-CD2 3.78Å; M762-L798 HydrophobicContact CB-CD1 4.4Å; M762-L798 HydrophobicContact CB-CD2 3.72Å; M762-L798 HydrophobicContact CE-CD1 3.6Å; M762-L798 HydrophobicContact CE-CD2 3.97Å; M762-L798 HydrophobicContact CE-CG 4.04Å
763L85.2Confident88.4Confident81 Ų8142 Ų4242%0.42422%0.215SC..THydrogen-bonded Turntrans-102.87.1175.1-58.5175.6000112.7M760 H761 L798 P799 I804M760-L763 WeakPolarHBondContact O-CB 3.28Å; M760-L763 PolarHBondContact O-N 3.48Å; H761-L763 PolarHBondContact O-N 2.87Å; L763-L798 HydrophobicContact CD2-CD2 3.97Å; L763-P799 HydrophobicContact CD2-CG 3.96Å; L763-I804 WeakPolarHBondContact O-CG2 3.44Å
764D82.9Confident88.7Confident14 Ų1439.5 Ų39.58%0.07520%0.199CC..  trans-107118.8175-171.5-33.8000109.8H761 R766 F767 S768H761-D764 PolarHBondContact O-N 3.38Å; D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact O-N 3.08Å; D764-R766 WeakPolarHBondContact OD1-CB 3.43Å; D764-R766 WeakPolarHBondContact OD1-CG 3.37Å; D764-R766 PolarHBondContact OD1-N 3.43Å; D764-F767 HydrophobicContact CB-CD2 4.03Å; D764-F767 PolarHBondContact O-N 3.29Å; D764-F767 VanDerWaalsContact O-N 3.08Å; D764-S768 WeakPolarHBondContact O-CA 3.42Å; D764-S768 WeakPolarHBondContact O-CB 3.5Å; D764-S768 PolarHBondContact O-N 3.2Å
765K82.2Confident89Confident72 Ų7238.9 Ų38.931%0.31320%0.196SC..Hα-helixtrans-54.7-28.2-179.3-85.7171.9161.7170.70114.2F767 S768 I804 D806K765-F767 VanDerWaalsContact C-N 3.29Å; K765-F767 PolarHBondContact O-N 2.92Å; K765-S768 WeakPolarHBondContact CA-OG 3.49Å; K765-S768 PolarHBondContact O-OG 2.81Å; K765-I804 HydrophobicContact CD-CB 4.35Å; K765-I804 HydrophobicContact CD-CG2 4.39Å; K765-I804 WeakPolarHBondContact CE-O 3.37Å; K765-I804 HydrophobicContact CG-CB 4.02Å; K765-I804 HydrophobicContact CG-CG2 3.87Å; K765-I804 PolarHBondContact NZ-O 2.66Å; K765-D806 WeakPolarHBondContact CD-OD1 3.11Å; K765-D806 WeakPolarHBondContact CE-OD1 3.46Å; K765-D806 IonicContact NZ-OD1 2.72Å; K765-D806 PolarHBondContact NZ-OD1 3.43Å; K765-D806 IonicContact NZ-OD2 3.95Å
766R80.8Confident89Confident158 Ų15844.3 Ų44.360%0.59622%0.217SC*.Hα-helixtrans-66.3-32.8-179.7-63173.1-178.8-174.5-0.6112.6D764D764-R766 PolarHBondContact O-N 2.97Å; D764-R766 VanDerWaalsContact O-N 3.08Å; D764-R766 WeakPolarHBondContact OD1-CB 3.43Å; D764-R766 WeakPolarHBondContact OD1-CG 3.37Å; D764-R766 PolarHBondContact OD1-N 3.43Å
767F83.2Confident89.2Confident30 Ų3043.3 Ų43.313%0.13221%0.21CC..Hα-helixtrans-111.2-20.2-176.1-54.2-60.1000112.2Y720 H761 D764 K765 A769 D770 L771Y720-F767 HydrophobicContact CD2-CB 3.7Å; Y720-F767 AromaticContact CD2-CD1 3.67Å; Y720-F767 HydrophobicContact CD2-CD1 3.67Å; Y720-F767 AromaticContact CD2-CG 3.86Å; Y720-F767 HydrophobicContact CD2-CG 3.86Å; Y720-F767 HydrophobicContact CE2-CB 3.94Å; Y720-F767 AromaticContact CE2-CD1 3.96Å; Y720-F767 HydrophobicContact CE2-CD1 3.96Å; Y720-F767 AromaticContact CE2-CG 3.89Å; Y720-F767 HydrophobicContact CE2-CG 3.89Å; H761-F767 HydrophobicContact CB-CB 4.11Å; H761-F767 HydrophobicContact CB-CD2 3.96Å; H761-F767 HydrophobicContact CB-CG 4.34Å; H761-F767 AromaticContact CD2-CD2 3.91Å; H761-F767 AromaticContact CG-CD2 3.75Å; D764-F767 HydrophobicContact CB-CD2 4.03Å; D764-F767 PolarHBondContact O-N 3.29Å; D764-F767 VanDerWaalsContact O-N 3.08Å; K765-F767 VanDerWaalsContact C-N 3.29Å; K765-F767 PolarHBondContact O-N 2.92Å; F767-A769 VanDerWaalsContact C-N 3.28Å; F767-A769 PolarHBondContact O-N 3.48Å; F767-D770 PolarHBondContact O-N 3.1Å; F767-L771 VanDerWaalsContact O-CB 3.25Å; F767-L771 WeakPolarHBondContact O-CB 3.32Å; F767-L771 PolarHBondContact O-N 3.2Å
768S80.9Confident89.4Confident4 Ų442.1 Ų42.13%0.02820%0.202CC..Hα-helixtrans-60.5-34.1-166.864.70000113.5D764 K765 R772D764-S768 WeakPolarHBondContact O-CA 3.42Å; D764-S768 WeakPolarHBondContact O-CB 3.5Å; D764-S768 PolarHBondContact O-N 3.2Å; K765-S768 WeakPolarHBondContact CA-OG 3.49Å; K765-S768 PolarHBondContact O-OG 2.81Å; S768-R772 WeakPolarHBondContact O-CB 3.35Å; S768-R772 WeakPolarHBondContact O-CD 3.24Å; S768-R772 WeakPolarHBondContact O-CG 3.43Å; S768-R772 PolarHBondContact O-N 3.27Å
769A87.4Confident89.5Confident68 Ų6842.5 Ų42.556%0.56220%0.203SC*.Hα-helixtrans-64.8-60.1-179.300000111F767 L771 E773F767-A769 VanDerWaalsContact C-N 3.28Å; F767-A769 PolarHBondContact O-N 3.48Å; A769-L771 PolarHBondContact O-N 3.46Å; A769-E773 VanDerWaalsContact O-CB 3.25Å; A769-E773 WeakPolarHBondContact O-CB 3.32Å; A769-E773 PolarHBondContact O-N 2.71Å
770D91.6Very high89.6Confident40 Ų4046.8 Ų46.821%0.21423%0.227CC..Hα-helixtrans-65.2-39.1-178.2-59-65.3000112.1K721 F767 T774K721-D770 HydrophobicContact CG-CB 4.42Å; K721-D770 WeakPolarHBondContact CG-OD2 2.92Å; F767-D770 PolarHBondContact O-N 3.1Å; D770-T774 WeakPolarHBondContact O-CB 3.37Å; D770-T774 PolarHBondContact O-N 2.97Å; D770-T774 PolarHBondContact O-OG1 2.98Å
771L93.4Very high89.6Confident0 Ų044.2 Ų44.20%022%0.218CC..Hα-helixtrans-71.8-45.6-179179.556.9000112.3M715 Y720 L758 H761 M762 F767 A769 E773 T774 L775M715-L771 HydrophobicContact CE-CD1 4.29Å; Y720-L771 HydrophobicContact CD1-CB 4.31Å; Y720-L771 HydrophobicContact CD1-CD1 3.75Å; Y720-L771 HydrophobicContact CD1-CG 4.4Å; Y720-L771 HydrophobicContact CE1-CD1 3.89Å; Y720-L771 HydrophobicContact CE1-CD2 4.26Å; Y720-L771 HydrophobicContact CG-CB 4.15Å; Y720-L771 HydrophobicContact CG-CD1 4.44Å; L758-L771 HydrophobicContact CD1-CD1 4.19Å; L758-L771 HydrophobicContact CD2-CD1 4.13Å; L758-L771 HydrophobicContact CD2-CD2 4.29Å; L758-L771 HydrophobicContact CG-CD1 3.94Å; L758-L771 HydrophobicContact CG-CD2 4.07Å; L758-L771 WeakPolarHBondContact O-CD2 3.46Å; H761-L771 HydrophobicContact CB-CD2 3.95Å; M762-L771 HydrophobicContact CB-CD2 4.49Å; M762-L771 HydrophobicContact CG-CD2 3.65Å; M762-L771 HydrophobicContact CG-CG 4.13Å; F767-L771 VanDerWaalsContact O-CB 3.25Å; F767-L771 WeakPolarHBondContact O-CB 3.32Å; F767-L771 PolarHBondContact O-N 3.2Å; A769-L771 PolarHBondContact O-N 3.46Å; L771-E773 VanDerWaalsContact C-N 3.3Å; L771-E773 PolarHBondContact O-N 2.88Å; L771-T774 PolarHBondContact O-N 3.25Å; L771-L775 HydrophobicContact CD1-CD1 4.21Å; L771-L775 HydrophobicContact CD1-CG 4.23Å; L771-L775 HydrophobicContact CG-CD1 4.3Å; L771-L775 VanDerWaalsContact O-CG 3.3Å; L771-L775 WeakPolarHBondContact O-CG 3.41Å; L771-L775 PolarHBondContact O-N 3.4Å
772R91.7Very high89.6Confident24 Ų2443.7 Ų43.79%0.09122%0.216CC..Hα-helixtrans-61.9-43.4175.4-70.4172.5-175.2-144.3-6.1110.1M762 S768 T774 L775 Y776 L798 P799 V801M762-R772 PolarHBondContact O-NE 2.88Å; M762-R772 PolarHBondContact O-NH2 3.04Å; S768-R772 WeakPolarHBondContact O-CB 3.35Å; S768-R772 WeakPolarHBondContact O-CD 3.24Å; S768-R772 WeakPolarHBondContact O-CG 3.43Å; S768-R772 PolarHBondContact O-N 3.27Å; R772-T774 PolarHBondContact O-N 3.21Å; R772-L775 PolarHBondContact O-N 3.27Å; R772-Y776 HydrophobicContact CB-CD2 4.32Å; R772-Y776 HydrophobicContact CB-CE2 4.36Å; R772-Y776 WeakPolarHBondContact O-CD2 3.38Å; R772-Y776 PolarHBondContact O-N 3.47Å; R772-L798 HydrophobicContact CG-CD1 3.95Å; R772-P799 PolarHBondContact NH1-O 3.43Å; R772-P799 PolarHBondContact NH2-O 2.74Å; R772-V801 VanDerWaalsContact NH1-CG2 3.29Å
773E92.9Very high89.6Confident75 Ų7546.7 Ų46.735%0.3524%0.236SC..Hα-helixtrans-59-46.6176.3-172.2177-139.100111.6S724 K728 A769 L771 L775 Y776 C777S724-E773 PolarHBondContact OG-OE2 2.66Å; K728-E773 WeakPolarHBondContact CE-OE1 3.46Å; K728-E773 IonicContact NZ-OE1 2.69Å; K728-E773 PolarHBondContact NZ-OE1 3.37Å; K728-E773 IonicContact NZ-OE2 2.82Å; K728-E773 PolarHBondContact NZ-OE2 2.79Å; A769-E773 VanDerWaalsContact O-CB 3.25Å; A769-E773 WeakPolarHBondContact O-CB 3.32Å; A769-E773 PolarHBondContact O-N 2.71Å; L771-E773 VanDerWaalsContact C-N 3.3Å; L771-E773 PolarHBondContact O-N 2.88Å; E773-L775 VanDerWaalsContact C-N 3.3Å; E773-L775 PolarHBondContact O-N 3.48Å; E773-Y776 PolarHBondContact O-N 2.96Å; E773-C777 WeakPolarHBondContact O-CB 3.33Å; E773-C777 PolarHBondContact O-N 3.16Å; E773-C777 PolarHBondContact O-SG 2.97Å; E773-C777 VanDerWaalsContact O-SG 3.36Å
774T96Very high89.7Confident0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-55.2-47176-58.40000111.5L711 M715 C723 S724 V727 D770 L771 R772 C777 L778L711-T774 HydrophobicContact CD1-CG2 4.14Å; M715-T774 HydrophobicContact CE-CG2 4.35Å; C723-T774 HydrophobicContact CB-CG2 3.76Å; S724-T774 VanDerWaalsContact CA-OG1 3.28Å; S724-T774 WeakPolarHBondContact CA-OG1 3.49Å; S724-T774 PolarHBondContact N-OG1 3.24Å; S724-T774 VanDerWaalsContact N-OG1 3.08Å; V727-T774 HydrophobicContact CG1-CG2 4.03Å; D770-T774 WeakPolarHBondContact O-CB 3.37Å; D770-T774 PolarHBondContact O-N 2.97Å; D770-T774 PolarHBondContact O-OG1 2.98Å; L771-T774 PolarHBondContact O-N 3.25Å; R772-T774 PolarHBondContact O-N 3.21Å; T774-C777 PolarHBondContact O-N 2.8Å; T774-L778 PolarHBondContact O-N 3.45Å
775L95.4Very high90.1Very high1 Ų152.6 Ų52.61%0.00526%0.264CS..Hα-helixtrans-70-36.9-178.9-66.6176.2000112.5M715 I750 M762 L771 R772 E773 L778 L779 L791 L795M715-L775 HydrophobicContact CE-CD2 3.54Å; M715-L775 HydrophobicContact CE-CG 4.45Å; I750-L775 HydrophobicContact CD1-CD2 3.81Å; M762-L775 HydrophobicContact CE-CD1 3.43Å; M762-L775 VanDerWaalsContact CE-CD1 3.43Å; M762-L775 HydrophobicContact CG-CD1 4.15Å; M762-L775 HydrophobicContact SD-CD1 3.74Å; L771-L775 HydrophobicContact CD1-CD1 4.21Å; L771-L775 HydrophobicContact CD1-CG 4.23Å; L771-L775 HydrophobicContact CG-CD1 4.3Å; L771-L775 VanDerWaalsContact O-CG 3.3Å; L771-L775 WeakPolarHBondContact O-CG 3.41Å; L771-L775 PolarHBondContact O-N 3.4Å; R772-L775 PolarHBondContact O-N 3.27Å; E773-L775 VanDerWaalsContact C-N 3.3Å; E773-L775 PolarHBondContact O-N 3.48Å; L775-L778 HydrophobicContact CD2-CD1 4.45Å; L775-L778 PolarHBondContact O-N 2.89Å; L775-L779 WeakPolarHBondContact O-CB 3.42Å; L775-L779 PolarHBondContact O-N 3.48Å; L775-L791 HydrophobicContact CB-CD1 4.28Å; L775-L791 HydrophobicContact CD2-CD1 4.09Å; L775-L791 WeakPolarHBondContact O-CD2 3.41Å; L775-L795 HydrophobicContact CB-CD1 4.32Å; L775-L795 HydrophobicContact CB-CD2 3.96Å; L775-L795 HydrophobicContact CD1-CD2 4.16Å
776Y94.3Very high90.6Very high114 Ų11454.1 Ų54.145%0.44728%0.276SS..Hα-helixtrans-67.7-38.8172.6-80.9-65.3000111.9R772 E773 L779 M780 L795R772-Y776 HydrophobicContact CB-CD2 4.32Å; R772-Y776 HydrophobicContact CB-CE2 4.36Å; R772-Y776 WeakPolarHBondContact O-CD2 3.38Å; R772-Y776 PolarHBondContact O-N 3.47Å; E773-Y776 PolarHBondContact O-N 2.96Å; Y776-L779 HydrophobicContact CD1-CD2 4.31Å; Y776-L779 WeakPolarHBondContact O-CB 3.1Å; Y776-L779 PolarHBondContact O-N 3.29Å; Y776-M780 WeakPolarHBondContact O-CG 3.39Å; Y776-M780 PolarHBondContact O-N 2.97Å; Y776-L795 HydrophobicContact CD1-CD1 3.87Å; Y776-L795 HydrophobicContact CE1-CB 4.4Å; Y776-L795 HydrophobicContact CE1-CD1 3.85Å; Y776-L795 HydrophobicContact CE2-CD2 4.33Å; Y776-L795 HydrophobicContact CG-CD1 4.29Å
777C94.8Very high91.2Very high30 Ų3046.6 Ų46.620%0.20325%0.248CC..Hα-helixtrans-60.7-45.3172.5-72.80000111.2V727 E773 T774 L779 M780 C781V727-C777 HydrophobicContact CB-CB 4.28Å; V727-C777 HydrophobicContact CG1-CB 3.47Å; V727-C777 VanDerWaalsContact CG1-CB 3.47Å; V727-C777 HydrophobicContact CG2-CB 3.78Å; E773-C777 WeakPolarHBondContact O-CB 3.33Å; E773-C777 PolarHBondContact O-N 3.16Å; E773-C777 PolarHBondContact O-SG 2.97Å; E773-C777 VanDerWaalsContact O-SG 3.36Å; T774-C777 PolarHBondContact O-N 2.8Å; C777-L779 VanDerWaalsContact C-N 3.3Å; C777-L779 PolarHBondContact O-N 3.22Å; C777-M780 PolarHBondContact O-N 2.93Å; C777-C781 PolarHBondContact O-N 3.29Å; C777-C781 PolarHBondContact O-SG 3.44Å; C777-C781 VanDerWaalsContact O-SG 3.35Å
778L93.6Very high91.8Very high1 Ų147 Ų471%0.00525%0.249CC..Hα-helixtrans-58.6-41.5173.4-80.7176.1000112.4L711 M715 V727 F730 M743 I747 T774 L775 M780 C781 L782 L791L711-L778 HydrophobicContact CD2-CD1 3.91Å; L711-L778 HydrophobicContact CD2-CD2 3.67Å; L711-L778 HydrophobicContact CD2-CG 4.02Å; M715-L778 HydrophobicContact CE-CD1 4.47Å; V727-L778 HydrophobicContact CG2-CD2 3.9Å; V727-L778 HydrophobicContact CG2-CG 3.94Å; F730-L778 HydrophobicContact CE2-CD2 4.48Å; M743-L778 HydrophobicContact CG-CD2 4.5Å; M743-L778 HydrophobicContact SD-CD2 4.39Å; I747-L778 HydrophobicContact CD1-CB 4.49Å; I747-L778 HydrophobicContact CD1-CD1 4.03Å; T774-L778 PolarHBondContact O-N 3.45Å; L775-L778 HydrophobicContact CD2-CD1 4.45Å; L775-L778 PolarHBondContact O-N 2.89Å; L778-M780 PolarHBondContact O-N 3.34Å; L778-C781 PolarHBondContact O-N 3.01Å; L778-C781 VanDerWaalsContact O-N 3.16Å; L778-L782 WeakPolarHBondContact O-CG 3.37Å; L778-L782 PolarHBondContact O-N 3.12Å; L778-L782 VanDerWaalsContact O-N 3.1Å; L778-L791 HydrophobicContact CB-CD2 4.23Å
779L93.8Very high92.5Very high7 Ų751.1 Ų51.14%0.03727%0.268CS..Hα-helixtrans-60.5-34.1175.7-170.471.3000112.1L775 Y776 C777 F788 L791 W792 L795L775-L779 WeakPolarHBondContact O-CB 3.42Å; L775-L779 PolarHBondContact O-N 3.48Å; Y776-L779 HydrophobicContact CD1-CD2 4.31Å; Y776-L779 WeakPolarHBondContact O-CB 3.1Å; Y776-L779 PolarHBondContact O-N 3.29Å; C777-L779 VanDerWaalsContact C-N 3.3Å; C777-L779 PolarHBondContact O-N 3.22Å; L779-F788 HydrophobicContact CD1-CD2 3.41Å; L779-F788 VanDerWaalsContact CD1-CD2 3.41Å; L779-F788 HydrophobicContact CD1-CE2 3.5Å; L779-F788 HydrophobicContact CD1-CG 3.94Å; L779-F788 HydrophobicContact CD1-CZ 4.09Å; L779-F788 WeakPolarHBondContact CD1-O 3.21Å; L779-F788 HydrophobicContact CD2-CE2 4.45Å; L779-F788 HydrophobicContact CG-CD2 4Å; L779-F788 HydrophobicContact CG-CE2 3.66Å; L779-F788 HydrophobicContact CG-CZ 4.33Å; L779-L791 HydrophobicContact CB-CD2 3.89Å; L779-L791 HydrophobicContact CD1-CB 4.16Å; L779-L791 HydrophobicContact CD1-CD2 4.03Å; L779-L791 HydrophobicContact CD1-CG 4.15Å; L779-W792 HydrophobicContact CD1-CB 4.03Å; L779-W792 HydrophobicContact CD2-CB 4.5Å; L779-L795 HydrophobicContact CD2-CD1 4.27Å
780M93.8Very high92.8Very high140 Ų14049.7 Ų49.769%0.6925%0.252SS*.Hα-helixtrans-78.4-24.7176.7-63.5-58.996.200113.4Y776 C777 L778Y776-M780 WeakPolarHBondContact O-CG 3.39Å; Y776-M780 PolarHBondContact O-N 2.97Å; C777-M780 PolarHBondContact O-N 2.93Å; L778-M780 PolarHBondContact O-N 3.34Å
781C89.9Confident93Very high44 Ų4447.9 Ų47.930%0.29724%0.243SC..Hα-helixtrans-78.9-27.8175.1-65.80000112.9M743 C777 L778M743-C781 HydrophobicContact CE-CB 4.41Å; M743-C781 HydrophobicContact SD-CB 3.86Å; C777-C781 PolarHBondContact O-N 3.29Å; C777-C781 PolarHBondContact O-SG 3.44Å; C777-C781 VanDerWaalsContact O-SG 3.35Å; L778-C781 PolarHBondContact O-N 3.01Å; L778-C781 VanDerWaalsContact O-N 3.16Å
782L89.7Confident93.1Very high13 Ų1353.6 Ų53.67%0.06826%0.264CS..SBendtrans-79.3138-175.7-79164.4000112.6M743 I747 L778 L791M743-L782 HydrophobicContact CB-CD2 3.59Å; M743-L782 HydrophobicContact CB-CG 4.3Å; I747-L782 HydrophobicContact CD1-CD1 4.27Å; I747-L782 HydrophobicContact CG1-CD1 3.54Å; L778-L782 WeakPolarHBondContact O-CG 3.37Å; L778-L782 PolarHBondContact O-N 3.12Å; L778-L782 VanDerWaalsContact O-N 3.1Å; L782-L791 HydrophobicContact CD1-CD2 4.45Å
783P88Confident93.2Very high64 Ų6458.8 Ų58.842%0.41628%0.284SS..  trans-63.6162.9161.326.6-30.4000110.6T785 F788P783-T785 HydrophobicContact CB-CG2 4.4Å; P783-T785 HydrophobicContact CG-CG2 3.95Å; P783-T785 PolarHBondContact O-N 3.1Å; P783-F788 VanDerWaalsContact O-CB 3.3Å; P783-F788 WeakPolarHBondContact O-CB 3.34Å
784Q88.1Confident93.2Very high173 Ų17358.4 Ų58.481%0.80828%0.279SS*.SBendtrans-72.463-178.5-64.6-175.113.200113F788Q784-F788 HydrophobicContact CB-CD1 4.49Å; Q784-F788 HydrophobicContact CG-CD1 4.4Å; Q784-F788 HydrophobicContact CG-CE1 4.36Å
785T91.1Very high93Very high46 Ų4658.6 Ų58.628%0.28228%0.28SS..SBendtrans-90.5178.7175.364.40000111.7D744 P783 A787 F788 Q789D744-T785 WeakPolarHBondContact OD2-CB 3.3Å; D744-T785 PolarHBondContact OD2-OG1 3.01Å; P783-T785 HydrophobicContact CB-CG2 4.4Å; P783-T785 HydrophobicContact CG-CG2 3.95Å; P783-T785 PolarHBondContact O-N 3.1Å; T785-A787 PolarHBondContact O-N 3.17Å; T785-A787 PolarHBondContact OG1-N 2.95Å; T785-F788 WeakPolarHBondContact O-CB 3.49Å; T785-F788 PolarHBondContact O-N 3.43Å; T785-F788 VanDerWaalsContact O-N 3.08Å; T785-Q789 PolarHBondContact O-N 3.42Å; T785-Q789 VanDerWaalsContact O-N 3.11Å
786D92.6Very high92.9Very high104 Ų10463.8 Ų63.856%0.55631%0.305SS*.Hα-helixtrans-60.6-31.4172.9-65.9-31.2000112.4Q789 T790D786-Q789 PolarHBondContact O-N 3.13Å; D786-T790 WeakPolarHBondContact O-CB 3.5Å; D786-T790 PolarHBondContact O-N 3.16Å; D786-T790 PolarHBondContact O-OG1 2.89Å
787A92.7Very high92.6Very high1 Ų162.9 Ų62.91%0.00831%0.314CS..Hα-helixtrans-63.8-44171.700000111.6D744 I747 T785 Q789 T790 L791D744-A787 HydrophobicContact CB-CB 4.08Å; D744-A787 WeakPolarHBondContact OD2-CB 3.33Å; I747-A787 HydrophobicContact CB-CB 4.02Å; I747-A787 HydrophobicContact CG2-CB 4.07Å; I747-A787 WeakPolarHBondContact CG2-O 3.46Å; T785-A787 PolarHBondContact O-N 3.17Å; T785-A787 PolarHBondContact OG1-N 2.95Å; A787-Q789 VanDerWaalsContact C-N 3.3Å; A787-Q789 PolarHBondContact O-N 3.19Å; A787-T790 PolarHBondContact O-N 2.94Å; A787-T790 VanDerWaalsContact O-N 3.14Å; A787-L791 PolarHBondContact O-N 3.5Å
788F95.1Very high92.3Very high39 Ų3962.8 Ų62.817%0.17131%0.311CS..Hα-helixtrans-55.4-47.4173.6172.6-83.1000111.1L779 P783 Q784 T785 T790 L791 W792L779-F788 HydrophobicContact CD1-CD2 3.41Å; L779-F788 VanDerWaalsContact CD1-CD2 3.41Å; L779-F788 HydrophobicContact CD1-CE2 3.5Å; L779-F788 HydrophobicContact CD1-CG 3.94Å; L779-F788 HydrophobicContact CD1-CZ 4.09Å; L779-F788 WeakPolarHBondContact CD1-O 3.21Å; L779-F788 HydrophobicContact CD2-CE2 4.45Å; L779-F788 HydrophobicContact CG-CD2 4Å; L779-F788 HydrophobicContact CG-CE2 3.66Å; L779-F788 HydrophobicContact CG-CZ 4.33Å; P783-F788 VanDerWaalsContact O-CB 3.3Å; P783-F788 WeakPolarHBondContact O-CB 3.34Å; Q784-F788 HydrophobicContact CB-CD1 4.49Å; Q784-F788 HydrophobicContact CG-CD1 4.4Å; Q784-F788 HydrophobicContact CG-CE1 4.36Å; T785-F788 WeakPolarHBondContact O-CB 3.49Å; T785-F788 PolarHBondContact O-N 3.43Å; T785-F788 VanDerWaalsContact O-N 3.08Å; F788-T790 VanDerWaalsContact C-N 3.33Å; F788-T790 PolarHBondContact O-N 3.48Å; F788-L791 PolarHBondContact O-N 3.35Å; F788-W792 WeakPolarHBondContact O-CB 3.37Å; F788-W792 PolarHBondContact O-N 3.45Å
789Q96.1Very high91.8Very high90 Ų9064.9 Ų64.942%0.42133%0.325SS..Hα-helixtrans-65.1-36.6178.5-64.1-174.75.500112.6T785 D786 A787 R793T785-Q789 PolarHBondContact O-N 3.42Å; T785-Q789 VanDerWaalsContact O-N 3.11Å; D786-Q789 PolarHBondContact O-N 3.13Å; A787-Q789 VanDerWaalsContact C-N 3.3Å; A787-Q789 PolarHBondContact O-N 3.19Å; Q789-R793 WeakPolarHBondContact O-CB 3.47Å; Q789-R793 VanDerWaalsContact O-CG 3.25Å; Q789-R793 WeakPolarHBondContact O-CG 3.45Å; Q789-R793 PolarHBondContact O-N 2.89Å; Q789-R793 PolarHBondContact O-NE 2.97Å
790T94.7Very high91.2Very high37 Ų3767.9 Ų67.923%0.22735%0.345CS..Hα-helixtrans-65.1-49.2178.1-61.20000110.9E751 D786 A787 F788 R793 R794E751-T790 HydrophobicContact CG-CG2 3.68Å; D786-T790 WeakPolarHBondContact O-CB 3.5Å; D786-T790 PolarHBondContact O-N 3.16Å; D786-T790 PolarHBondContact O-OG1 2.89Å; A787-T790 PolarHBondContact O-N 2.94Å; A787-T790 VanDerWaalsContact O-N 3.14Å; F788-T790 VanDerWaalsContact C-N 3.33Å; F788-T790 PolarHBondContact O-N 3.48Å; T790-R793 PolarHBondContact O-N 3.12Å; T790-R794 WeakPolarHBondContact O-CB 3.36Å; T790-R794 PolarHBondContact O-N 3.26Å
791L95.1Very high90.2Very high2 Ų264.3 Ų64.31%0.0133%0.33CS..Hα-helixtrans-63.8-44.6176.7-177.558.8000111.9I747 L775 L778 L779 L782 A787 F788 R794 L795I747-L791 HydrophobicContact CD1-CD1 4.35Å; I747-L791 HydrophobicContact CD1-CD2 3.72Å; I747-L791 HydrophobicContact CD1-CG 4.45Å; I747-L791 HydrophobicContact CG1-CD2 4.24Å; I747-L791 HydrophobicContact CG2-CB 3.77Å; L775-L791 HydrophobicContact CB-CD1 4.28Å; L775-L791 HydrophobicContact CD2-CD1 4.09Å; L775-L791 WeakPolarHBondContact O-CD2 3.41Å; L778-L791 HydrophobicContact CB-CD2 4.23Å; L779-L791 HydrophobicContact CB-CD2 3.89Å; L779-L791 HydrophobicContact CD1-CB 4.16Å; L779-L791 HydrophobicContact CD1-CD2 4.03Å; L779-L791 HydrophobicContact CD1-CG 4.15Å; L782-L791 HydrophobicContact CD1-CD2 4.45Å; A787-L791 PolarHBondContact O-N 3.5Å; F788-L791 PolarHBondContact O-N 3.35Å; L791-R794 PolarHBondContact O-N 3.28Å; L791-L795 HydrophobicContact CD1-CD1 4.17Å; L791-L795 HydrophobicContact CD1-CG 4.29Å; L791-L795 HydrophobicContact CG-CD1 3.98Å; L791-L795 WeakPolarHBondContact O-CG 3.45Å; L791-L795 PolarHBondContact O-N 2.93Å
792W94.8Very high89.6Confident121 Ų12169.3 Ų69.346%0.45835%0.35SS..Hα-helixtrans-59.5-48.9178.7179.872.5000111.6L779 F788 R794 L795 Q796L779-W792 HydrophobicContact CD1-CB 4.03Å; L779-W792 HydrophobicContact CD2-CB 4.5Å; F788-W792 WeakPolarHBondContact O-CB 3.37Å; F788-W792 PolarHBondContact O-N 3.45Å; W792-R794 VanDerWaalsContact C-N 3.34Å; W792-R794 PolarHBondContact O-N 3.33Å; W792-L795 PolarHBondContact O-N 3.48Å; W792-Q796 WeakPolarHBondContact O-CG 3.48Å; W792-Q796 PolarHBondContact O-N 3.32Å
793R95.2Very high89.1Confident132 Ų13277.5 Ų77.550%0.49838%0.381SS..Hα-helixtrans-60.3-42.6175.5-74.6-177-67.4-165.80.7111.7Q789 T790 L795 Q796 C797Q789-R793 WeakPolarHBondContact O-CB 3.47Å; Q789-R793 VanDerWaalsContact O-CG 3.25Å; Q789-R793 WeakPolarHBondContact O-CG 3.45Å; Q789-R793 PolarHBondContact O-N 2.89Å; Q789-R793 PolarHBondContact O-NE 2.97Å; T790-R793 PolarHBondContact O-N 3.12Å; R793-L795 VanDerWaalsContact C-N 3.33Å; R793-L795 PolarHBondContact O-N 2.86Å; R793-Q796 WeakPolarHBondContact O-CB 3.45Å; R793-Q796 PolarHBondContact O-N 3.29Å; R793-C797 PolarHBondContact O-N 3.17Å; R793-C797 PolarHBondContact O-SG 2.99Å
794R92.4Very high88.4Confident67 Ų6775.1 Ų75.125%0.25336%0.364SS..Hα-helixtrans-59.8-42.4175.9173.262.278.9-164.510112E751 R759 M762 T790 L791 W792 C797E751-R794 IonicContact OE1-CZ 3.27Å; E751-R794 IonicContact OE1-NE 3.89Å; E751-R794 PolarHBondContact OE1-NE 3.43Å; E751-R794 IonicContact OE1-NH2 2.7Å; E751-R794 PolarHBondContact OE1-NH2 3.3Å; E751-R794 IonicContact OE2-CZ 3.5Å; E751-R794 IonicContact OE2-NE 2.8Å; E751-R794 PolarHBondContact OE2-NE 3.1Å; E751-R794 IonicContact OE2-NH2 2.92Å; E751-R794 PolarHBondContact OE2-NH2 3.2Å; R759-R794 VanDerWaalsContact CD-NH2 3.34Å; M762-R794 HydrophobicContact CE-CG 4.05Å; M762-R794 HydrophobicContact SD-CG 4.5Å; T790-R794 WeakPolarHBondContact O-CB 3.36Å; T790-R794 PolarHBondContact O-N 3.26Å; L791-R794 PolarHBondContact O-N 3.28Å; W792-R794 VanDerWaalsContact C-N 3.34Å; W792-R794 PolarHBondContact O-N 3.33Å; R794-C797 WeakPolarHBondContact O-CB 3.41Å; R794-C797 PolarHBondContact O-N 3.01Å
795L92.1Very high87.7Confident5 Ų570.4 Ų70.43%0.02635%0.351CS..Hα-helixtrans-69.4-31.9177.5-72.1169.7000112.4M762 L775 Y776 L779 L791 W792 R793 C797 L798M762-L795 HydrophobicContact CE-CD2 3.78Å; L775-L795 HydrophobicContact CB-CD1 4.32Å; L775-L795 HydrophobicContact CB-CD2 3.96Å; L775-L795 HydrophobicContact CD1-CD2 4.16Å; Y776-L795 HydrophobicContact CD1-CD1 3.87Å; Y776-L795 HydrophobicContact CE1-CB 4.4Å; Y776-L795 HydrophobicContact CE1-CD1 3.85Å; Y776-L795 HydrophobicContact CE2-CD2 4.33Å; Y776-L795 HydrophobicContact CG-CD1 4.29Å; L779-L795 HydrophobicContact CD2-CD1 4.27Å; L791-L795 HydrophobicContact CD1-CD1 4.17Å; L791-L795 HydrophobicContact CD1-CG 4.29Å; L791-L795 HydrophobicContact CG-CD1 3.98Å; L791-L795 WeakPolarHBondContact O-CG 3.45Å; L791-L795 PolarHBondContact O-N 2.93Å; W792-L795 PolarHBondContact O-N 3.48Å; R793-L795 VanDerWaalsContact C-N 3.33Å; R793-L795 PolarHBondContact O-N 2.86Å; L795-C797 VanDerWaalsContact C-N 3.29Å; L795-C797 PolarHBondContact O-N 2.68Å; L795-L798 HydrophobicContact CD2-CD1 3.93Å; L795-L798 WeakPolarHBondContact O-CB 3.41Å; L795-L798 PolarHBondContact O-N 2.93Å
796Q92.1Very high86.6Confident110 Ų11074.2 Ų74.251%0.51437%0.369SS..Hα-helixtrans-67.5-26.6174.1-74.3-179.9-22.500113.9W792 R793 L798W792-Q796 WeakPolarHBondContact O-CG 3.48Å; W792-Q796 PolarHBondContact O-N 3.32Å; R793-Q796 WeakPolarHBondContact O-CB 3.45Å; R793-Q796 PolarHBondContact O-N 3.29Å; Q796-L798 PolarHBondContact O-N 2.99Å
797C89.8Confident85.3Confident95 Ų9575.4 Ų75.464%0.64238%0.376SS*.THydrogen-bonded Turntrans-69.8-12.2175.7-60.20000113R793 R794 L795R793-C797 PolarHBondContact O-N 3.17Å; R793-C797 PolarHBondContact O-SG 2.99Å; R794-C797 WeakPolarHBondContact O-CB 3.41Å; R794-C797 PolarHBondContact O-N 3.01Å; L795-C797 VanDerWaalsContact C-N 3.29Å; L795-C797 PolarHBondContact O-N 2.68Å
798L86.9Confident83.6Confident27 Ų2778.3 Ų78.314%0.14139%0.394CS..SBendtrans-77.9132.4-176.5-63.5179.3000111.3M762 L763 R772 L795 Q796M762-L798 HydrophobicContact CB-CD1 4.4Å; M762-L798 HydrophobicContact CB-CD2 3.72Å; M762-L798 HydrophobicContact CE-CD1 3.6Å; M762-L798 HydrophobicContact CE-CD2 3.97Å; M762-L798 HydrophobicContact CE-CG 4.04Å; L763-L798 HydrophobicContact CD2-CD2 3.97Å; R772-L798 HydrophobicContact CG-CD1 3.95Å; L795-L798 HydrophobicContact CD2-CD1 3.93Å; L795-L798 WeakPolarHBondContact O-CB 3.41Å; L795-L798 PolarHBondContact O-N 2.93Å; Q796-L798 PolarHBondContact O-N 2.99Å
799P84.6Confident81.7Confident46 Ų4680.4 Ų80.430%0.29941%0.41SS..PPolyproline II helixtrans-65.1152170.628.8-33.8000110.3L763 R772 V801 I804L763-P799 HydrophobicContact CD2-CG 3.96Å; R772-P799 PolarHBondContact NH1-O 3.43Å; R772-P799 PolarHBondContact NH2-O 2.74Å; P799-V801 PolarHBondContact O-N 3.39Å; P799-I804 HydrophobicContact CG-CG1 4.08Å
800P80.3Confident79.5Confident70 Ų7081 Ų8146%0.45542%0.424SS..PPolyproline II helixtrans-49.7141.1166.3-24.131.2000110.7E802 Y803P800-E802 WeakPolarHBondContact CB-OE2 3.29Å; P800-E802 PolarHBondContact O-N 3.24Å; P800-E802 VanDerWaalsContact O-N 3.08Å; P800-Y803 HydrophobicContact CB-CD2 3.67Å; P800-Y803 HydrophobicContact CB-CE2 3.93Å; P800-Y803 HydrophobicContact CG-CD2 3.76Å; P800-Y803 HydrophobicContact CG-CE2 3.84Å; P800-Y803 PolarHBondContact O-N 3.26Å
801V73.9Confident77.2Confident64 Ų6486.4 Ų86.439%0.38844%0.441SS..G310 helixtrans-58.2-29.7-169.51780000111.5R772 P799 Y803 I804R772-V801 VanDerWaalsContact NH1-CG2 3.29Å; P799-V801 PolarHBondContact O-N 3.39Å; V801-Y803 PolarHBondContact O-N 3.1Å; V801-I804 PolarHBondContact O-N 3.47Å
802E76.2Confident74.8Confident150 Ų15094.5 Ų94.570%0.70148%0.482SS*.G310 helixtrans-63.4-27.1179.5-54.878.9-166.600112.9P800P800-E802 WeakPolarHBondContact CB-OE2 3.29Å; P800-E802 PolarHBondContact O-N 3.24Å; P800-E802 VanDerWaalsContact O-N 3.08Å
803Y79.5Confident72.3Confident185 Ų18593 Ų9373%0.72549%0.49SS*.G310 helixtrans-91.9-3.8-176.7-62.5-62.5000114.5P800 V801P800-Y803 HydrophobicContact CB-CD2 3.67Å; P800-Y803 HydrophobicContact CB-CE2 3.93Å; P800-Y803 HydrophobicContact CG-CD2 3.76Å; P800-Y803 HydrophobicContact CG-CE2 3.84Å; P800-Y803 PolarHBondContact O-N 3.26Å; V801-Y803 PolarHBondContact O-N 3.1Å
804I73.9Confident69.6Low13 Ų1395.2 Ų95.27%0.06751%0.512CS..SBendtrans-77130.7-179.8-57.9171.8000109.1L763 K765 P799 V801L763-I804 WeakPolarHBondContact O-CG2 3.44Å; K765-I804 HydrophobicContact CD-CB 4.35Å; K765-I804 HydrophobicContact CD-CG2 4.39Å; K765-I804 WeakPolarHBondContact CE-O 3.37Å; K765-I804 HydrophobicContact CG-CB 4.02Å; K765-I804 HydrophobicContact CG-CG2 3.87Å; K765-I804 PolarHBondContact NZ-O 2.66Å; P799-I804 HydrophobicContact CG-CG1 4.08Å; V801-I804 PolarHBondContact O-N 3.47Å
805S72.6Confident66.9Low75 Ų7593.9 Ų93.952%0.52452%0.518SS..  trans-66.1145.1176.461.10000111.8N807S805-N807 PolarHBondContact O-N 3.32Å
806D67.2Low64.5Low125 Ų12597.6 Ų97.667%0.66854%0.543SS*.SBendtrans-74.3-3.9173.4-64.2-33.7000113.4K765K765-D806 WeakPolarHBondContact CD-OD1 3.11Å; K765-D806 WeakPolarHBondContact CE-OD1 3.46Å; K765-D806 IonicContact NZ-OD1 2.72Å; K765-D806 PolarHBondContact NZ-OD1 3.43Å; K765-D806 IonicContact NZ-OD2 3.95Å
807N66.4Low62.2Low130 Ų13099.6 Ų99.670%0.69555%0.552SS**  trans-67.3122.1179.8-74.9-22.8000110.2S805S805-N807 PolarHBondContact O-N 3.32Å
808P57.5Low60.2Low61 Ų6198 Ų9840%0.39654%0.542SS..  trans-65.6141.917925.9-32.1000110.8S810P808-S810 PolarHBondContact O-N 3.4Å
809V55.2Low58.3Low83 Ų8398.1 Ų98.150%0.50355%0.547SS..  trans-58.2114.7164.5-178.10000106.9R811V809-R811 PolarHBondContact O-N 3Å
810S48.8Very low56.7Low102 Ų102101 Ų10171%0.71356%0.556SS**  trans-63.3110.3-171.3-38.40000109.7P808 I812P808-S810 PolarHBondContact O-N 3.4Å; S810-I812 PolarHBondContact O-N 2.97Å
811R47.7Very low55.6Low152 Ų152102.5 Ų102.557%0.57456%0.561SS**  trans-62.5118.8160.4-70.8-175.5-177.5178.1-2.4106.2V809 S813 G815V809-R811 PolarHBondContact O-N 3Å; R811-S813 PolarHBondContact O-N 3.48Å; R811-G815 PolarHBondContact NH1-O 2.97Å
812I44.7Very low55.3Low171 Ų171101.1 Ų101.188%0.87755%0.553SS**SBendtrans-65.98.4174.5-67.6172000111.9S810S810-I812 PolarHBondContact O-N 2.97Å
813S40.7Very low55Low90 Ų9094.6 Ų94.663%0.62952%0.523SS*.SBendtrans-138.3132.7174-58.60000109.5R811 G815R811-S813 PolarHBondContact O-N 3.48Å; S813-G815 PolarHBondContact O-N 3.39Å
814N38.7Very low54.6Low179 Ų17990.8 Ų90.896%0.95752%0.515SS*.  trans-6455.3176.1-69.6-30.4000112.4
815G36.9Very low54.7Low38 Ų3895.5 Ų95.539%0.39254%0.544SS..  trans-102.6105.1171.900000110.3R811 S813R811-G815 PolarHBondContact NH1-O 2.97Å; S813-G815 PolarHBondContact O-N 3.39Å
816P41.2Very low55Low83 Ų8397.7 Ų97.754%0.53954%0.542SS..  trans-84-176.4-163.434.4-33.6000112.6S818 A819P816-S818 PolarHBondContact O-N 3.33Å; P816-S818 PolarHBondContact O-OG 3.31Å; P816-A819 PolarHBondContact O-N 2.92Å
817Q43.2Very low55.9Low152 Ų15291.9 Ų91.971%0.7151%0.511SS*.THydrogen-bonded Turntrans-46.9-1.4171.6-69.3163.1-26.600116A819 N821Q817-A819 VanDerWaalsContact C-N 3.33Å; Q817-A819 PolarHBondContact O-N 3.46Å; Q817-N821 VanDerWaalsContact O-CG 3.31Å; Q817-N821 PolarHBondContact O-N 2.99Å; Q817-N821 PolarHBondContact O-ND2 3.44Å
818S47.9Very low57Low62 Ų6289.5 Ų89.543%0.43450%0.498SS..Hα-helixtrans-65.9-27.9174.555.80000113.9P816 N821 V822P816-S818 PolarHBondContact O-N 3.33Å; P816-S818 PolarHBondContact O-OG 3.31Å; S818-N821 CarbonylContact O-C 3.45Å; S818-N821 WeakPolarHBondContact O-CA 3.38Å; S818-N821 WeakPolarHBondContact O-CB 3.36Å; S818-N821 PolarHBondContact O-N 2.94Å; S818-N821 VanDerWaalsContact O-N 3.16Å; S818-V822 WeakPolarHBondContact O-CG2 3.3Å; S818-V822 PolarHBondContact O-N 3.38Å
819A47.8Very low58.5Low30 Ų3087.7 Ų87.725%0.24848%0.484CS..Hα-helixtrans-67.1-45.6179.800000112.7P816 Q817 N821 V822 V823P816-A819 PolarHBondContact O-N 2.92Å; Q817-A819 VanDerWaalsContact C-N 3.33Å; Q817-A819 PolarHBondContact O-N 3.46Å; A819-N821 PolarHBondContact O-N 3.49Å; A819-V822 PolarHBondContact O-N 3.13Å; A819-V823 PolarHBondContact O-N 3.02Å; A819-V823 VanDerWaalsContact O-N 3.14Å
820E50.4Low60.2Low105 Ų10588 Ų8849%0.49148%0.483SS..Hα-helixtrans-59.3-34.9171-80.7-175.5159.100110.9N824E820-N824 WeakPolarHBondContact O-CB 3.42Å; E820-N824 PolarHBondContact O-N 3Å; E820-N824 PolarHBondContact O-ND2 2.87Å
821N57.2Low62.3Low103 Ų10387.9 Ų87.955%0.55147%0.471SS*.Hα-helixtrans-67.9-39.6177.1-66.5-13.8000112.1Q817 S818 A819 V825Q817-N821 VanDerWaalsContact O-CG 3.31Å; Q817-N821 PolarHBondContact O-N 2.99Å; Q817-N821 PolarHBondContact O-ND2 3.44Å; S818-N821 CarbonylContact O-C 3.45Å; S818-N821 WeakPolarHBondContact O-CA 3.38Å; S818-N821 WeakPolarHBondContact O-CB 3.36Å; S818-N821 PolarHBondContact O-N 2.94Å; S818-N821 VanDerWaalsContact O-N 3.16Å; A819-N821 PolarHBondContact O-N 3.49Å; N821-V825 WeakPolarHBondContact O-CB 3.4Å; N821-V825 WeakPolarHBondContact O-CG2 3.2Å; N821-V825 PolarHBondContact O-N 2.88Å; N821-V825 VanDerWaalsContact O-N 3.1Å
822V66.9Low64.6Low35 Ų3580.7 Ų80.721%0.21244%0.444CS..Hα-helixtrans-66.8-52.9179.3172.50000110.5S818 A819 N824 V825 Y826S818-V822 WeakPolarHBondContact O-CG2 3.3Å; S818-V822 PolarHBondContact O-N 3.38Å; A819-V822 PolarHBondContact O-N 3.13Å; V822-N824 PolarHBondContact O-N 2.8Å; V822-V825 PolarHBondContact O-N 3.12Å; V822-V825 VanDerWaalsContact O-N 3.12Å; V822-Y826 HydrophobicContact CG1-CD2 3.63Å; V822-Y826 HydrophobicContact CG1-CE2 3.84Å; V822-Y826 WeakPolarHBondContact O-CD2 3.45Å; V822-Y826 PolarHBondContact O-N 3.13Å
823V71.5Confident67Low13 Ų1373.6 Ų73.68%0.07941%0.407CS..Hα-helixtrans-58.7-48-177.2177.40000110.8I687 A819 V825 Y826 I827 F829I687-V823 HydrophobicContact CB-CG2 4Å; I687-V823 HydrophobicContact CG2-CG2 3.78Å; A819-V823 PolarHBondContact O-N 3.02Å; A819-V823 VanDerWaalsContact O-N 3.14Å; V823-V825 VanDerWaalsContact C-N 3.27Å; V823-V825 PolarHBondContact O-N 3.44Å; V823-Y826 PolarHBondContact O-N 3.37Å; V823-I827 HydrophobicContact CG1-CD1 3.76Å; V823-I827 VanDerWaalsContact O-CB 3.31Å; V823-I827 WeakPolarHBondContact O-CB 3.32Å; V823-I827 PolarHBondContact O-N 3.28Å; V823-F829 HydrophobicContact CG1-CE2 3.8Å; V823-F829 HydrophobicContact CG1-CZ 3.88Å
824N70.2Confident69.6Low105 Ų10574.1 Ų74.156%0.56140%0.403SS*.Hα-helixtrans-70.5-21.4-179.5-68.7-44.9000113.7E820 V822E820-N824 WeakPolarHBondContact O-CB 3.42Å; E820-N824 PolarHBondContact O-N 3Å; E820-N824 PolarHBondContact O-ND2 2.87Å; V822-N824 PolarHBondContact O-N 2.8Å
825V76.3Confident72.2Confident111 Ų11167.8 Ų67.867%0.67337%0.366SS*.Hα-helixtrans-79.7-37.81751660000111.6N821 V822 V823N821-V825 WeakPolarHBondContact O-CB 3.4Å; N821-V825 WeakPolarHBondContact O-CG2 3.2Å; N821-V825 PolarHBondContact O-N 2.88Å; N821-V825 VanDerWaalsContact O-N 3.1Å; V822-V825 PolarHBondContact O-N 3.12Å; V822-V825 VanDerWaalsContact O-N 3.12Å; V823-V825 VanDerWaalsContact C-N 3.27Å; V823-V825 PolarHBondContact O-N 3.44Å
826Y79.2Confident75Confident121 Ų12166 Ų6648%0.47535%0.347SS..Hα-helixtrans-94-30.7-175.8-70.5-71.8000114.1K690 V822 V823K690-Y826 HydrophobicContact CD-CE1 4.27Å; K690-Y826 HydrophobicContact CG-CD1 4.27Å; K690-Y826 HydrophobicContact CG-CE1 4.26Å; V822-Y826 HydrophobicContact CG1-CD2 3.63Å; V822-Y826 HydrophobicContact CG1-CE2 3.84Å; V822-Y826 WeakPolarHBondContact O-CD2 3.45Å; V822-Y826 PolarHBondContact O-N 3.13Å; V823-Y826 PolarHBondContact O-N 3.37Å
827I85Confident77.6Confident4 Ų464.8 Ų64.82%0.02133%0.334CS..  trans-106.7116.5-173.1-63.3163.5000110C693 F696 E697 V823 F829 L832C693-I827 HydrophobicContact CB-CD1 3.79Å; C693-I827 HydrophobicContact CB-CG1 3.97Å; F696-I827 HydrophobicContact CB-CD1 4.42Å; F696-I827 HydrophobicContact CD1-CD1 3.52Å; F696-I827 HydrophobicContact CD1-CG2 4.48Å; F696-I827 HydrophobicContact CE1-CD1 4.2Å; F696-I827 HydrophobicContact CE1-CG2 4.36Å; F696-I827 HydrophobicContact CG-CD1 4.31Å; E697-I827 HydrophobicContact CG-CG1 3.96Å; E697-I827 HydrophobicContact CG-CG2 4.29Å; V823-I827 HydrophobicContact CG1-CD1 3.76Å; V823-I827 VanDerWaalsContact O-CB 3.31Å; V823-I827 WeakPolarHBondContact O-CB 3.32Å; V823-I827 PolarHBondContact O-N 3.28Å; I827-F829 HydrophobicContact CB-CE2 4.28Å; I827-F829 HydrophobicContact CG2-CD1 4.34Å; I827-F829 HydrophobicContact CG2-CD2 4.1Å; I827-F829 HydrophobicContact CG2-CE1 4.22Å; I827-F829 HydrophobicContact CG2-CE2 3.98Å; I827-F829 HydrophobicContact CG2-CG 4.28Å; I827-F829 HydrophobicContact CG2-CZ 4.04Å; I827-F829 PolarHBondContact O-N 2.92Å; I827-L832 HydrophobicContact CG2-CD1 3.57Å
828N89.4Confident80Confident79 Ų7960.3 Ų60.342%0.42232%0.319SS..  trans-85.389.5172-171.3-11.3000110.8N830 E831 L832N828-N830 PolarHBondContact O-N 3.47Å; N828-N830 VanDerWaalsContact O-N 3.16Å; N828-N830 WeakPolarHBondContact OD1-CB 3.23Å; N828-N830 PolarHBondContact OD1-N 3.25Å; N828-N830 VanDerWaalsContact OD1-N 3.1Å; N828-E831 HydrophobicContact CB-CB 4.13Å; N828-E831 PolarHBondContact O-N 3.47Å; N828-E831 PolarHBondContact OD1-N 2.94Å; N828-L832 PolarHBondContact O-N 3.12Å; N828-L832 VanDerWaalsContact O-N 3.13Å
829F88.8Confident82.1Confident24 Ų2457.4 Ų57.411%0.10530%0.299CS..Hα-helixtrans-60-23.9177.2-74.6-78.9000114F696 H722 V823 I827 F833F696-F829 AromaticContact CE1-CE1 3.74Å; F696-F829 HydrophobicContact CE1-CE1 3.74Å; F696-F829 HydrophobicContact CE1-CZ 4.06Å; F696-F829 AromaticContact CZ-CE1 4Å; F696-F829 HydrophobicContact CZ-CE1 4Å; F696-F829 HydrophobicContact CZ-CZ 4.45Å; H722-F829 HydrophobicContact CB-CD1 4.22Å; H722-F829 HydrophobicContact CB-CE1 4.48Å; H722-F829 AromaticContact CD2-CD1 3.89Å; H722-F829 AromaticContact CE1-CD1 3.89Å; H722-F829 AromaticContact CG-CD1 3.67Å; H722-F829 AromaticContact ND1-CD1 3.71Å; V823-F829 HydrophobicContact CG1-CE2 3.8Å; V823-F829 HydrophobicContact CG1-CZ 3.88Å; I827-F829 HydrophobicContact CB-CE2 4.28Å; I827-F829 HydrophobicContact CG2-CD1 4.34Å; I827-F829 HydrophobicContact CG2-CD2 4.1Å; I827-F829 HydrophobicContact CG2-CE1 4.22Å; I827-F829 HydrophobicContact CG2-CE2 3.98Å; I827-F829 HydrophobicContact CG2-CG 4.28Å; I827-F829 HydrophobicContact CG2-CZ 4.04Å; I827-F829 PolarHBondContact O-N 2.92Å; F829-F833 VanDerWaalsContact O-CB 3.24Å; F829-F833 WeakPolarHBondContact O-CB 3.34Å; F829-F833 PolarHBondContact O-N 2.93Å
830N91.5Very high84.2Confident90 Ų9056.4 Ų56.448%0.48129%0.289SS..Hα-helixtrans-69.3-48175.6-63.5-46.8000110.9R725 N828 L832 F833 D834R725-N830 PolarHBondContact NH1-OD1 3.19Å; N828-N830 PolarHBondContact O-N 3.47Å; N828-N830 VanDerWaalsContact O-N 3.16Å; N828-N830 WeakPolarHBondContact OD1-CB 3.23Å; N828-N830 PolarHBondContact OD1-N 3.25Å; N828-N830 VanDerWaalsContact OD1-N 3.1Å; N830-L832 VanDerWaalsContact C-N 3.32Å; N830-L832 PolarHBondContact O-N 3.33Å; N830-F833 WeakPolarHBondContact O-CB 3.49Å; N830-F833 PolarHBondContact O-N 3.02Å; N830-D834 VanDerWaalsContact O-CG 3.31Å; N830-D834 PolarHBondContact O-N 2.6Å
831E94Very high86.1Confident98 Ų9857.8 Ų57.846%0.45829%0.294SS..Hα-helixtrans-60.2-43.6176.3-172.8-154.2142.600111.2R701 N828 F833 D834 Y835R701-E831 IonicContact NH2-OE1 3.38Å; R701-E831 PolarHBondContact NH2-OE1 3.48Å; N828-E831 HydrophobicContact CB-CB 4.13Å; N828-E831 PolarHBondContact O-N 3.47Å; N828-E831 PolarHBondContact OD1-N 2.94Å; E831-F833 VanDerWaalsContact C-N 3.31Å; E831-F833 PolarHBondContact O-N 3.07Å; E831-D834 PolarHBondContact O-N 2.99Å; E831-Y835 WeakPolarHBondContact O-CB 3.47Å; E831-Y835 PolarHBondContact O-N 3.18Å
832L94.4Very high87.6Confident1 Ų157.1 Ų57.11%0.00529%0.287CS..Hα-helixtrans-64.3-35.4177.4-70.8-178.5000112.6E697 Y700 R701 I827 N828 N830 Y835 F836E697-L832 HydrophobicContact CG-CD1 4.36Å; Y700-L832 HydrophobicContact CD1-CB 3.83Å; Y700-L832 HydrophobicContact CD1-CD1 4.09Å; Y700-L832 HydrophobicContact CD1-CD2 3.94Å; Y700-L832 HydrophobicContact CD1-CG 4.18Å; Y700-L832 HydrophobicContact CD2-CD1 4.16Å; Y700-L832 HydrophobicContact CE1-CB 3.58Å; Y700-L832 HydrophobicContact CE1-CD2 4.5Å; Y700-L832 HydrophobicContact CE1-CG 4.43Å; Y700-L832 VanDerWaalsContact CE1-O 3.32Å; Y700-L832 WeakPolarHBondContact CE1-O 3.41Å; Y700-L832 HydrophobicContact CE2-CB 4.45Å; Y700-L832 HydrophobicContact CG-CB 4.43Å; Y700-L832 HydrophobicContact CG-CD1 3.93Å; Y700-L832 HydrophobicContact CG-CD2 4.44Å; R701-L832 HydrophobicContact CG-CD2 3.97Å; I827-L832 HydrophobicContact CG2-CD1 3.57Å; N828-L832 PolarHBondContact O-N 3.12Å; N828-L832 VanDerWaalsContact O-N 3.13Å; N830-L832 VanDerWaalsContact C-N 3.32Å; N830-L832 PolarHBondContact O-N 3.33Å; L832-Y835 PolarHBondContact O-N 3.15Å; L832-F836 PolarHBondContact O-N 3.34Å
833F95.3Very high88.5Confident23 Ų2356.8 Ų56.810%0.10129%0.287CS..Hα-helixtrans-67.8-41.2174.8-172.7-97.1000112.4R725 L726 F829 N830 E831 Y835 F836 H837R725-F833 HydrophobicContact CB-CE2 4.45Å; R725-F833 HydrophobicContact CG-CD2 4.17Å; R725-F833 HydrophobicContact CG-CE2 3.61Å; R725-F833 HydrophobicContact CG-CZ 3.79Å; R725-F833 VanDerWaalsContact CZ-CD1 3.44Å; L726-F833 HydrophobicContact CD1-CE2 4.45Å; F829-F833 VanDerWaalsContact O-CB 3.24Å; F829-F833 WeakPolarHBondContact O-CB 3.34Å; F829-F833 PolarHBondContact O-N 2.93Å; N830-F833 WeakPolarHBondContact O-CB 3.49Å; N830-F833 PolarHBondContact O-N 3.02Å; E831-F833 VanDerWaalsContact C-N 3.31Å; E831-F833 PolarHBondContact O-N 3.07Å; F833-Y835 VanDerWaalsContact C-N 3.33Å; F833-F836 WeakPolarHBondContact O-CB 3.37Å; F833-F836 PolarHBondContact O-N 3.45Å; F833-H837 AromaticContact CD1-CE1 3.82Å; F833-H837 AromaticContact CD1-ND1 3.75Å; F833-H837 AromaticContact CE1-CE1 3.23Å; F833-H837 WeakPolarHBondContact CE1-CE1 3.2Å; F833-H837 AromaticContact CE1-ND1 3.61Å; F833-H837 AromaticContact CE2-CE1 3.73Å; F833-H837 AromaticContact CZ-CE1 3.2Å; F833-H837 WeakPolarHBondContact CZ-CE1 3Å; F833-H837 AromaticContact CZ-ND1 3.98Å; F833-H837 PolarHBondContact O-N 2.6Å; F833-H837 PolarHBondContact O-ND1 3.4Å
834D95.1Very high89.2Confident101 Ų10158 Ų5854%0.5429%0.292SS..Hα-helixtrans-66.7-39.5175.5-63.8-21.6000110.4N830 E831 F836 H837 S838N830-D834 VanDerWaalsContact O-CG 3.31Å; N830-D834 PolarHBondContact O-N 2.6Å; E831-D834 PolarHBondContact O-N 2.99Å; D834-F836 PolarHBondContact O-N 3.21Å; D834-H837 PolarHBondContact O-N 3.07Å; D834-S838 PolarHBondContact O-N 3.3Å
835Y94.9Very high90Very high46 Ų4658.3 Ų58.318%0.1829%0.29CS..Hα-helixtrans-60.6-43.6173.2-176.3-101.4000111.8K655 R701 C704 E831 L832 F833 H837 S838 I839K655-Y835 PolarHBondContact NZ-OH 2.91Å; R701-Y835 HydrophobicContact CB-CD1 4.31Å; R701-Y835 HydrophobicContact CB-CE1 3.78Å; R701-Y835 HydrophobicContact CG-CD1 3.93Å; R701-Y835 HydrophobicContact CG-CE1 3.83Å; C704-Y835 HydrophobicContact CB-CD1 4.45Å; C704-Y835 HydrophobicContact CB-CE1 4.39Å; E831-Y835 WeakPolarHBondContact O-CB 3.47Å; E831-Y835 PolarHBondContact O-N 3.18Å; L832-Y835 PolarHBondContact O-N 3.15Å; F833-Y835 VanDerWaalsContact C-N 3.33Å; Y835-H837 PolarHBondContact O-N 3.33Å; Y835-S838 PolarHBondContact O-N 3.31Å; Y835-S838 VanDerWaalsContact O-N 3.17Å; Y835-S838 PolarHBondContact O-OG 2.86Å; Y835-I839 HydrophobicContact CD1-CG1 4.1Å; Y835-I839 HydrophobicContact CE1-CD1 4.21Å; Y835-I839 HydrophobicContact CE1-CG1 3.6Å; Y835-I839 HydrophobicContact CE2-CD1 4.14Å; Y835-I839 HydrophobicContact CE2-CG1 4.1Å; Y835-I839 WeakPolarHBondContact O-CG1 3.38Å; Y835-I839 PolarHBondContact O-N 3.47Å
836F95.9Very high90.3Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-54.4-49.8174.4165.3-106.6000112C704 P707 L710 L726 I733 L832 F833 D834 S838 I839 Q840C704-F836 HydrophobicContact CB-CD2 4.2Å; P707-F836 HydrophobicContact CB-CE2 3.89Å; P707-F836 HydrophobicContact CB-CZ 3.94Å; L710-F836 HydrophobicContact CD2-CB 4.4Å; L710-F836 HydrophobicContact CD2-CD2 3.57Å; L710-F836 HydrophobicContact CD2-CE2 4.08Å; L710-F836 HydrophobicContact CD2-CG 4.09Å; L726-F836 HydrophobicContact CD1-CD1 3.56Å; L726-F836 HydrophobicContact CD1-CD2 4.32Å; L726-F836 HydrophobicContact CD1-CE1 3.5Å; L726-F836 VanDerWaalsContact CD1-CE1 3.5Å; L726-F836 HydrophobicContact CD1-CE2 4.26Å; L726-F836 HydrophobicContact CD1-CG 3.98Å; L726-F836 HydrophobicContact CD1-CZ 3.87Å; I733-F836 HydrophobicContact CD1-CZ 4.4Å; L832-F836 PolarHBondContact O-N 3.34Å; F833-F836 WeakPolarHBondContact O-CB 3.37Å; F833-F836 PolarHBondContact O-N 3.45Å; D834-F836 PolarHBondContact O-N 3.21Å; F836-S838 VanDerWaalsContact C-N 3.31Å; F836-S838 PolarHBondContact O-N 3Å; F836-I839 PolarHBondContact O-N 2.73Å; F836-Q840 HydrophobicContact CD2-CG 3.96Å; F836-Q840 HydrophobicContact CE1-CG 4.3Å; F836-Q840 HydrophobicContact CE2-CG 3.47Å; F836-Q840 VanDerWaalsContact CE2-CG 3.47Å; F836-Q840 HydrophobicContact CZ-CG 3.68Å; F836-Q840 WeakPolarHBondContact O-CG 3.37Å; F836-Q840 PolarHBondContact O-N 2.73Å
837H94.6Very high90.5Very high57 Ų5755 Ų5526%0.26427%0.266SS..Hα-helixtrans-62.7-37.9177.7-74.677.4000112.4S729 F833 D834 Y835 I839 Q840 K841S729-H837 WeakPolarHBondContact CB-NE2 3.47Å; F833-H837 AromaticContact CD1-CE1 3.82Å; F833-H837 AromaticContact CD1-ND1 3.75Å; F833-H837 AromaticContact CE1-CE1 3.23Å; F833-H837 WeakPolarHBondContact CE1-CE1 3.2Å; F833-H837 AromaticContact CE1-ND1 3.61Å; F833-H837 AromaticContact CE2-CE1 3.73Å; F833-H837 AromaticContact CZ-CE1 3.2Å; F833-H837 WeakPolarHBondContact CZ-CE1 3Å; F833-H837 AromaticContact CZ-ND1 3.98Å; F833-H837 PolarHBondContact O-N 2.6Å; F833-H837 PolarHBondContact O-ND1 3.4Å; D834-H837 PolarHBondContact O-N 3.07Å; Y835-H837 PolarHBondContact O-N 3.33Å; H837-I839 VanDerWaalsContact C-N 3.34Å; H837-I839 PolarHBondContact O-N 2.66Å; H837-Q840 PolarHBondContact O-N 3.05Å; H837-K841 WeakPolarHBondContact O-CB 3.33Å; H837-K841 PolarHBondContact O-N 3.2Å
838S93.5Very high90.4Very high58 Ų5859.7 Ų59.741%0.40629%0.29SS..Hα-helixtrans-62.5-40.817780.10000112.4D834 Y835 F836 Q842D834-S838 PolarHBondContact O-N 3.3Å; Y835-S838 PolarHBondContact O-N 3.31Å; Y835-S838 VanDerWaalsContact O-N 3.17Å; Y835-S838 PolarHBondContact O-OG 2.86Å; F836-S838 VanDerWaalsContact C-N 3.31Å; F836-S838 PolarHBondContact O-N 3Å; S838-Q842 WeakPolarHBondContact O-CB 3.25Å; S838-Q842 PolarHBondContact O-N 2.88Å
839I91.8Very high90.1Very high2 Ų260.5 Ų60.51%0.0129%0.293CS..Hα-helixtrans-72.2-41.8179.6-67.7-63.1000111.2C704 F705 Y835 F836 H837 Q842 S843C704-I839 HydrophobicContact CB-CB 4.25Å; C704-I839 HydrophobicContact CB-CG1 4.41Å; C704-I839 HydrophobicContact CB-CG2 4.22Å; F705-I839 HydrophobicContact CD1-CG2 3.69Å; F705-I839 HydrophobicContact CE1-CG2 3.77Å; F705-I839 HydrophobicContact CG-CG2 4.11Å; F705-I839 HydrophobicContact CZ-CD1 4.32Å; F705-I839 HydrophobicContact CZ-CG2 4.23Å; Y835-I839 HydrophobicContact CD1-CG1 4.1Å; Y835-I839 HydrophobicContact CE1-CD1 4.21Å; Y835-I839 HydrophobicContact CE1-CG1 3.6Å; Y835-I839 HydrophobicContact CE2-CD1 4.14Å; Y835-I839 HydrophobicContact CE2-CG1 4.1Å; Y835-I839 WeakPolarHBondContact O-CG1 3.38Å; Y835-I839 PolarHBondContact O-N 3.47Å; F836-I839 PolarHBondContact O-N 2.73Å; H837-I839 VanDerWaalsContact C-N 3.34Å; H837-I839 PolarHBondContact O-N 2.66Å; I839-Q842 PolarHBondContact O-N 3.27Å; I839-S843 WeakPolarHBondContact O-CB 3.41Å; I839-S843 PolarHBondContact O-N 2.82Å
840Q92.6Very high89.7Confident8 Ų863.8 Ų63.84%0.03731%0.307CS..Hα-helixtrans-61.6-46.7175.9-69.5-60.7-58.200111.1C704 I733 F836 H837 Q842 S843 D844C704-Q840 PolarHBondContact O-NE2 2.72Å; I733-Q840 HydrophobicContact CG2-CB 4.19Å; I733-Q840 HydrophobicContact CG2-CG 4.24Å; F836-Q840 HydrophobicContact CD2-CG 3.96Å; F836-Q840 HydrophobicContact CE1-CG 4.3Å; F836-Q840 HydrophobicContact CE2-CG 3.47Å; F836-Q840 VanDerWaalsContact CE2-CG 3.47Å; F836-Q840 HydrophobicContact CZ-CG 3.68Å; F836-Q840 WeakPolarHBondContact O-CG 3.37Å; F836-Q840 PolarHBondContact O-N 2.73Å; H837-Q840 PolarHBondContact O-N 3.05Å; Q840-Q842 VanDerWaalsContact C-N 3.34Å; Q840-Q842 PolarHBondContact O-N 3.37Å; Q840-S843 WeakPolarHBondContact O-CB 3.4Å; Q840-S843 PolarHBondContact O-N 3.08Å; Q840-D844 PolarHBondContact O-N 3.1Å
841K90.3Very high89.1Confident134 Ų13465.3 Ų65.358%0.58331%0.313SS*.Hα-helixtrans-58.2-44.9174.6-173.8-178.6177.4-173.50112.2H837 S843 D844 E845H837-K841 WeakPolarHBondContact O-CB 3.33Å; H837-K841 PolarHBondContact O-N 3.2Å; K841-S843 VanDerWaalsContact C-N 3.35Å; K841-S843 PolarHBondContact O-N 3.44Å; K841-D844 PolarHBondContact O-N 3.43Å; K841-E845 WeakPolarHBondContact CE-OE1 3.2Å; K841-E845 WeakPolarHBondContact O-CG 3.45Å; K841-E845 PolarHBondContact O-N 2.84Å
842Q89.1Confident88.6Confident90 Ų9064.2 Ų64.242%0.42131%0.309SS..Hα-helixtrans-63.1-40.6177.7-174.5179.37.700112S838 I839 Q840 D844 Y846S838-Q842 WeakPolarHBondContact O-CB 3.25Å; S838-Q842 PolarHBondContact O-N 2.88Å; I839-Q842 PolarHBondContact O-N 3.27Å; Q840-Q842 VanDerWaalsContact C-N 3.34Å; Q840-Q842 PolarHBondContact O-N 3.37Å; Q842-D844 VanDerWaalsContact C-N 3.34Å; Q842-Y846 VanDerWaalsContact O-CB 3.27Å; Q842-Y846 WeakPolarHBondContact O-CB 3.28Å; Q842-Y846 PolarHBondContact O-N 3.14Å
843S86.2Confident87.9Confident28 Ų2867.1 Ų67.120%0.19633%0.325CS..Hα-helixtrans-62.7-41.5176.2174.30000111.5I839 Q840 K841 Y846 R847I839-S843 WeakPolarHBondContact O-CB 3.41Å; I839-S843 PolarHBondContact O-N 2.82Å; Q840-S843 WeakPolarHBondContact O-CB 3.4Å; Q840-S843 PolarHBondContact O-N 3.08Å; K841-S843 VanDerWaalsContact C-N 3.35Å; K841-S843 PolarHBondContact O-N 3.44Å; S843-Y846 PolarHBondContact O-N 2.79Å; S843-R847 VanDerWaalsContact O-CG 3.31Å; S843-R847 WeakPolarHBondContact O-CG 3.3Å; S843-R847 PolarHBondContact O-N 3.18Å
844D84.5Confident86.8Confident38 Ų3874.7 Ų74.720%0.20335%0.354CS..Hα-helixtrans-71-41.5179.3-68.4-20.7000112.3Q840 K841 Q842 Y846 R847 L848Q840-D844 PolarHBondContact O-N 3.1Å; K841-D844 PolarHBondContact O-N 3.43Å; Q842-D844 VanDerWaalsContact C-N 3.34Å; D844-Y846 VanDerWaalsContact C-N 3.26Å; D844-Y846 PolarHBondContact O-N 3.06Å; D844-R847 PolarHBondContact O-N 3.41Å; D844-R847 IonicContact OD1-NH1 3.47Å; D844-R847 PolarHBondContact OD1-NH1 3.08Å; D844-L848 WeakPolarHBondContact O-CB 3.5Å; D844-L848 PolarHBondContact O-N 2.9Å
845E86.7Confident85.8Confident111 Ų11175.1 Ų75.152%0.51936%0.356SS..Hα-helixtrans-58.8-40.3171-74.9178-179.100111.4K841 L848 M849K841-E845 WeakPolarHBondContact CE-OE1 3.2Å; K841-E845 WeakPolarHBondContact O-CG 3.45Å; K841-E845 PolarHBondContact O-N 2.84Å; E845-L848 PolarHBondContact O-N 2.89Å; E845-M849 VanDerWaalsContact O-CB 3.31Å; E845-M849 WeakPolarHBondContact O-CB 3.3Å; E845-M849 PolarHBondContact O-N 3.25Å
846Y84.4Confident84.7Confident83 Ų8380.8 Ų80.833%0.32538%0.377SS..Hα-helixtrans-67.3-44.7178.3-171.1-102.2000112.9P656 E658 Q842 S843 D844 L848 M849 K850P656-Y846 HydrophobicContact CB-CE2 4.22Å; P656-Y846 HydrophobicContact CG-CE2 4.41Å; E658-Y846 VanDerWaalsContact OE1-CE1 3.23Å; E658-Y846 WeakPolarHBondContact OE1-CE1 3.45Å; E658-Y846 PolarHBondContact OE1-OH 2.8Å; E658-Y846 VanDerWaalsContact OE2-CE1 3.31Å; E658-Y846 WeakPolarHBondContact OE2-CE1 3.24Å; Q842-Y846 VanDerWaalsContact O-CB 3.27Å; Q842-Y846 WeakPolarHBondContact O-CB 3.28Å; Q842-Y846 PolarHBondContact O-N 3.14Å; S843-Y846 PolarHBondContact O-N 2.79Å; D844-Y846 VanDerWaalsContact C-N 3.26Å; D844-Y846 PolarHBondContact O-N 3.06Å; Y846-L848 VanDerWaalsContact C-N 3.34Å; Y846-L848 PolarHBondContact O-N 3.23Å; Y846-M849 PolarHBondContact O-N 3.03Å; Y846-K850 HydrophobicContact CD1-CD 4.34Å; Y846-K850 HydrophobicContact CE1-CD 3.75Å; Y846-K850 VanDerWaalsContact CE1-CE 3.44Å; Y846-K850 HydrophobicContact CE1-CG 4.15Å; Y846-K850 PolarHBondContact O-N 3.3Å; Y846-K850 WeakPolarHBondContact OH-CE 3.48Å
847R82.1Confident83.1Confident79 Ų7985.6 Ų85.630%0.29840%0.403SS..Hα-helixtrans-59.3-45.3173.5-74169.1178.7157.6-7.3111.2S843 D844 K850 M851S843-R847 VanDerWaalsContact O-CG 3.31Å; S843-R847 WeakPolarHBondContact O-CG 3.3Å; S843-R847 PolarHBondContact O-N 3.18Å; D844-R847 PolarHBondContact O-N 3.41Å; D844-R847 IonicContact OD1-NH1 3.47Å; D844-R847 PolarHBondContact OD1-NH1 3.08Å; R847-K850 WeakPolarHBondContact O-CB 3.44Å; R847-K850 PolarHBondContact O-N 2.97Å; R847-M851 WeakPolarHBondContact O-CG 3.47Å; R847-M851 PolarHBondContact O-N 2.95Å
848L83.8Confident81.3Confident103 Ų10384.6 Ų84.654%0.53941%0.408SS..Hα-helixtrans-62.2-44.8176.8-178.762.2000111.3D844 E845 Y846 K850 M851 I852D844-L848 WeakPolarHBondContact O-CB 3.5Å; D844-L848 PolarHBondContact O-N 2.9Å; E845-L848 PolarHBondContact O-N 2.89Å; Y846-L848 VanDerWaalsContact C-N 3.34Å; Y846-L848 PolarHBondContact O-N 3.23Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 2.98Å; L848-M851 PolarHBondContact O-N 2.9Å; L848-I852 HydrophobicContact CD1-CD1 4.26Å; L848-I852 HydrophobicContact CD1-CG1 4.47Å; L848-I852 HydrophobicContact CG-CD1 3.97Å; L848-I852 WeakPolarHBondContact O-CG1 3.44Å; L848-I852 PolarHBondContact O-N 3.44Å
849M83.5Confident79.5Confident96 Ų9684.3 Ų84.347%0.47341%0.409SS..Hα-helixtrans-59.8-40.5176.9-173.261.7177.900111.8E845 Y846 I852 N853E845-M849 VanDerWaalsContact O-CB 3.31Å; E845-M849 WeakPolarHBondContact O-CB 3.3Å; E845-M849 PolarHBondContact O-N 3.25Å; Y846-M849 PolarHBondContact O-N 3.03Å; M849-I852 PolarHBondContact O-N 3.43Å; M849-N853 WeakPolarHBondContact O-CB 3.33Å; M849-N853 PolarHBondContact O-N 2.77Å
850K80Confident77.6Confident94 Ų9490.5 Ų90.541%0.40944%0.438SS..Hα-helixtrans-62-45.1173.5-85.9-172.8161-174.40112.7E658 Y846 R847 L848 I852 N853 Y854E658-K850 WeakPolarHBondContact OE1-CE 3.41Å; E658-K850 IonicContact OE1-NZ 3.91Å; E658-K850 PolarHBondContact OE1-NZ 3.08Å; E658-K850 WeakPolarHBondContact OE2-CE 2.97Å; E658-K850 IonicContact OE2-NZ 3.73Å; E658-K850 PolarHBondContact OE2-NZ 3.3Å; Y846-K850 HydrophobicContact CD1-CD 4.34Å; Y846-K850 HydrophobicContact CE1-CD 3.75Å; Y846-K850 VanDerWaalsContact CE1-CE 3.44Å; Y846-K850 HydrophobicContact CE1-CG 4.15Å; Y846-K850 PolarHBondContact O-N 3.3Å; Y846-K850 WeakPolarHBondContact OH-CE 3.48Å; R847-K850 WeakPolarHBondContact O-CB 3.44Å; R847-K850 PolarHBondContact O-N 2.97Å; L848-K850 VanDerWaalsContact C-N 3.3Å; L848-K850 PolarHBondContact O-N 2.98Å; K850-I852 VanDerWaalsContact C-N 3.33Å; K850-I852 PolarHBondContact O-N 2.95Å; K850-N853 PolarHBondContact O-N 3.48Å; K850-Y854 WeakPolarHBondContact O-CB 3.2Å; K850-Y854 PolarHBondContact O-N 2.71Å
851M78.7Confident75.4Confident122 Ų12296 Ų9660%0.60147%0.468SS*.Hα-helixtrans-62.1-41.9177.2-70179.469.300111.6R847 L848 Y854 N855R847-M851 WeakPolarHBondContact O-CG 3.47Å; R847-M851 PolarHBondContact O-N 2.95Å; L848-M851 PolarHBondContact O-N 2.9Å; M851-Y854 PolarHBondContact O-N 3.48Å; M851-N855 VanDerWaalsContact O-CG 3.27Å; M851-N855 PolarHBondContact O-N 3.47Å; M851-N855 PolarHBondContact O-ND2 3.02Å
852I82.8Confident73.4Confident74 Ų7496.9 Ų96.938%0.37947%0.474SS..Hα-helixtrans-64.1-44.9176.7-67.2167.7000111.1L848 M849 K850 N855 R856L848-I852 HydrophobicContact CD1-CD1 4.26Å; L848-I852 HydrophobicContact CD1-CG1 4.47Å; L848-I852 HydrophobicContact CG-CD1 3.97Å; L848-I852 WeakPolarHBondContact O-CG1 3.44Å; L848-I852 PolarHBondContact O-N 3.44Å; M849-I852 PolarHBondContact O-N 3.43Å; K850-I852 VanDerWaalsContact C-N 3.33Å; K850-I852 PolarHBondContact O-N 2.95Å; I852-N855 PolarHBondContact O-N 3.24Å; I852-R856 PolarHBondContact O-N 3.34Å
853N80.3Confident71.2Confident62 Ų6298 Ų9833%0.33248%0.483SS..Hα-helixtrans-65.5-39.2178.7-77.6-18.5000112.3M849 K850 N855 R856 N857M849-N853 WeakPolarHBondContact O-CB 3.33Å; M849-N853 PolarHBondContact O-N 2.77Å; K850-N853 PolarHBondContact O-N 3.48Å; N853-N855 VanDerWaalsContact C-N 3.34Å; N853-R856 PolarHBondContact O-N 3.14Å; N853-N857 WeakPolarHBondContact O-CB 3.41Å; N853-N857 PolarHBondContact O-N 3.11Å
854Y72.6Confident68.7Low183 Ų183101.2 Ų101.272%0.71851%0.505SS*.Hα-helixtrans-61-44.7174-172-94.7000111.3K850 M851 R856 N857 G858K850-Y854 WeakPolarHBondContact O-CB 3.2Å; K850-Y854 PolarHBondContact O-N 2.71Å; M851-Y854 PolarHBondContact O-N 3.48Å; Y854-R856 PolarHBondContact O-N 3.43Å; Y854-N857 PolarHBondContact O-N 3.35Å; Y854-G858 PolarHBondContact O-N 2.9Å
855N73.8Confident66.3Low110 Ų110109.3 Ų109.359%0.58853%0.534SS*.Hα-helixtrans-65.2-37.4177.3-70.9-20.1000112.7M851 I852 N853 A859M851-N855 VanDerWaalsContact O-CG 3.27Å; M851-N855 PolarHBondContact O-N 3.47Å; M851-N855 PolarHBondContact O-ND2 3.02Å; I852-N855 PolarHBondContact O-N 3.24Å; N853-N855 VanDerWaalsContact C-N 3.34Å; N855-A859 PolarHBondContact O-N 3.46Å; N855-A859 VanDerWaalsContact O-N 3.1Å
856R72.2Confident63.7Low165 Ų165109.4 Ų109.462%0.62354%0.543SS*.Hα-helixtrans-66.7-45174.3-84.3-174177.6171.20.6112.8I852 N853 Y854 G858 A859 Q860I852-R856 PolarHBondContact O-N 3.34Å; N853-R856 PolarHBondContact O-N 3.14Å; Y854-R856 PolarHBondContact O-N 3.43Å; R856-G858 VanDerWaalsContact C-N 3.33Å; R856-A859 PolarHBondContact O-N 2.87Å; R856-Q860 PolarHBondContact O-N 3.37Å
857N62.3Low61.1Low100 Ų100112.6 Ų112.654%0.53556%0.564SS.*Hα-helixtrans-68-36.2179.4-69.2-7.2000111.4N853 Y854 A859 Q860 N861N853-N857 WeakPolarHBondContact O-CB 3.41Å; N853-N857 PolarHBondContact O-N 3.11Å; Y854-N857 PolarHBondContact O-N 3.35Å; N857-A859 VanDerWaalsContact C-N 3.34Å; N857-A859 PolarHBondContact O-N 3.08Å; N857-Q860 PolarHBondContact O-N 3.43Å; N857-N861 PolarHBondContact O-N 3.31Å; N857-N861 VanDerWaalsContact O-N 3.15Å
858G56.7Low58.6Low37 Ų37114 Ų11438%0.38159%0.586SS.*Hα-helixtrans-60.4-40.9170.900000112.8Y854 R856Y854-G858 PolarHBondContact O-N 2.9Å; R856-G858 VanDerWaalsContact C-N 3.33Å
859A56.1Low55.9Low51 Ų51115.8 Ų115.842%0.42160%0.596SS.*Hα-helixtrans-70.9-37177.400000113.3N855 R856 N857 Q862 N863N855-A859 PolarHBondContact O-N 3.46Å; N855-A859 VanDerWaalsContact O-N 3.1Å; R856-A859 PolarHBondContact O-N 2.87Å; N857-A859 VanDerWaalsContact C-N 3.34Å; N857-A859 PolarHBondContact O-N 3.08Å; A859-Q862 PolarHBondContact O-N 3.29Å; A859-N863 PolarHBondContact O-N 3.31Å
860Q51.8Low53.4Low132 Ų132120 Ų12062%0.61761%0.614SS**Hα-helixtrans-68.5-36.4177.2-76-171.9-15.300112.7R856 N857 Q862 N863R856-Q860 PolarHBondContact O-N 3.37Å; N857-Q860 PolarHBondContact O-N 3.43Å; Q860-Q862 PolarHBondContact O-N 2.6Å; Q860-N863 PolarHBondContact O-N 3.19Å; Q860-N863 VanDerWaalsContact O-N 3.12Å
861N46.6Very low50.9Low123 Ų123122.7 Ų122.766%0.65863%0.633SS**Hα-helixtrans-67.8-20.3175.6-83.1-10.1000113.6N857N857-N861 PolarHBondContact O-N 3.31Å; N857-N861 VanDerWaalsContact O-N 3.15Å
862Q47.4Very low48.5Very low154 Ų154128.1 Ų128.172%0.7265%0.647SS**Hα-helixtrans-81.9-26.5171.2-70.9-173.8-0.900112.9A859 Q860 S864A859-Q862 PolarHBondContact O-N 3.29Å; Q860-Q862 PolarHBondContact O-N 2.6Å; Q862-S864 VanDerWaalsContact C-N 3.31Å; Q862-S864 PolarHBondContact O-N 3.49Å
863N43.5Very low45.8Very low113 Ų113129.8 Ų129.860%0.60467%0.665SS**Hα-helixtrans-81.2-5.2-179.7-76.4-14.8000114.4A859 Q860 Y865A859-N863 PolarHBondContact O-N 3.31Å; Q860-N863 PolarHBondContact O-N 3.19Å; Q860-N863 VanDerWaalsContact O-N 3.12Å; N863-Y865 VanDerWaalsContact C-N 3.33Å; N863-Y865 PolarHBondContact O-N 2.98Å
864S33.4Very low43.4Very low95 Ų95133.9 Ų133.966%0.66469%0.687SS**THydrogen-bonded Turntrans-84.33177.3-60.90000115Q862Q862-S864 VanDerWaalsContact C-N 3.31Å; Q862-S864 PolarHBondContact O-N 3.49Å
865Y33.2Very low41.1Very low209 Ų209136.7 Ų136.782%0.8270%0.696SS**THydrogen-bonded Turntrans-106.510.1177.8-75.4-71.4000115.8N863N863-Y865 VanDerWaalsContact C-N 3.33Å; N863-Y865 PolarHBondContact O-N 2.98Å
866T32Very low38.9Very low113 Ų113134.8 Ų134.869%0.69370%0.703SS**  trans-127.922-172.723.40000116.7
867I31.3Very low36.7Very low150 Ų150132.2 Ų132.277%0.76971%0.71SS**  trans-112.574.5171.9-47.8178.3000110.4
868S29.4Very low35.1Very low109 Ų109135.3 Ų135.376%0.76273%0.726SS**  trans-119.994.8158.150.70000108.2E870S868-E870 PolarHBondContact O-N 3.35Å; S868-E870 VanDerWaalsContact O-N 3.17Å
869N26.1Very low33.6Very low140 Ų140136.9 Ų136.975%0.74974%0.742SS**  trans-54.2107.5170-82.4-30000110.7
870E31.2Very low32.2Very low183 Ų183141.3 Ų141.386%0.85576%0.759SS**  trans-109.896.5154.1-76.2-159.9161.500109.6S868 R872S868-E870 PolarHBondContact O-N 3.35Å; S868-E870 VanDerWaalsContact O-N 3.17Å; E870-R872 PolarHBondContact O-N 3.06Å; E870-R872 VanDerWaalsContact O-N 3.09Å
871N26.8Very low31.2Very low151 Ų151143.1 Ų143.181%0.80777%0.772SS**  trans-61.7100.3164.3-77.5-35.4000109.6
872R29.2Very low30.2Very low236 Ų236145.4 Ų145.489%0.89178%0.777SS**  trans-123.695157.1-98.7-177.1175.3178.60.7110.8E870 N874E870-R872 PolarHBondContact O-N 3.06Å; E870-R872 VanDerWaalsContact O-N 3.09Å; R872-N874 PolarHBondContact O-N 3.04Å
873S26.9Very low29.2Very low109 Ų109145.1 Ų145.176%0.76278%0.78SS**  trans-51.8118.6157.247.30000112.3
874N29Very low28.4Very low149 Ų149149.5 Ų149.580%0.79779%0.794SS**  -176.5110.9129.5-108.7-17.1000112.1R872R872-N874 PolarHBondContact O-N 3.04Å
875R24.8Very low28.1Very low241 Ų241153.7 Ų153.791%0.90981%0.808SS**  50.6115.8117.7-148.4-178.3-152.6-171.26118
876G27Very low27.9Very low70 Ų70147.9 Ų147.972%0.72280%0.803SS**  trans126.394.7136.200000116.4
877S25.6Very low27.5Very low111 Ų111148.9 Ų148.978%0.77681%0.809SS**  43.9115.3127.8-164.50000119.2
878L28.7Very low27.3Very low166 Ų166146.5 Ų146.587%0.86981%0.806SS**  164.8113.4128-104.382.9000104.2
879G26.9Very low27.2Very low69 Ų69148.9 Ų148.971%0.71181%0.81SS**  101.5101.875.600000107.4D881G879-D881 PolarHBondContact O-N 3.4Å; G879-D881 VanDerWaalsContact O-N 3.14Å
880N26.4Very low27.3Very low145 Ų145150.9 Ų150.978%0.77582%0.815SS**  trans-55.8107.5176.4-77.6-27000111.4
881D30.4Very low27.1Very low169 Ų169151.6 Ų151.690%0.90482%0.815SS**  trans-108.576.8156.9-79.1-31000108.9G879G879-D881 PolarHBondContact O-N 3.4Å; G879-D881 VanDerWaalsContact O-N 3.14Å
882F24.8Very low27.2Very low171 Ų171150.3 Ų150.375%0.7582%0.815SS**  trans-82.3110.9158.4-96.3-92.7000108
883N26.2Very low27.1Very low149 Ų149144 Ų14480%0.79781%0.807SS**  trans148.8140.8130.8-80-43.3000113.2
884K26.5Very low27.2Very low204 Ų204146 Ų14689%0.88781%0.809SS**  trans70.598.9167.5-78.6178.4168.2176.40116
885L28.4Very low27.1Very low183 Ų183145.5 Ų145.596%0.95881%0.806SS**  -140.5140.1129.8-98.5161.2000109.1
886A27.7Very low27.3Very low88 Ų88141.4 Ų141.473%0.72780%0.801SS**  trans-80.7158.8-155.900000114S888A886-S888 PolarHBondContact O-N 3.4Å
887V24Very low27.3Very low133 Ų133147.9 Ų147.981%0.80681%0.805SS**  trans-43.6120.81611780000110.9
888S28.7Very low27.5Very low101 Ų101147 Ų14771%0.70680%0.796SS**  trans-137.8112156.453.50000108.3A886 E890A886-S888 PolarHBondContact O-N 3.4Å; S888-E890 PolarHBondContact O-N 3.22Å; S888-E890 VanDerWaalsContact O-N 3.11Å
889D25.9Very low27.7Very low159 Ų159142.9 Ų142.985%0.8579%0.787SS**  trans-56.4101.1175.3-67-58.6000111.4
890E28Very low27.9Very low181 Ų181145.9 Ų145.985%0.84679%0.787SS**  trans-101.5114.1162-77.6-169.7161.500109.4S888S888-E890 PolarHBondContact O-N 3.22Å; S888-E890 VanDerWaalsContact O-N 3.11Å
891K27.4Very low28.1Very low198 Ų198145.1 Ų145.186%0.86178%0.781SS**PPolyproline II helixtrans-51.7134.5174.7-84.6175170.5177.10110.5S893K891-S893 PolarHBondContact O-N 3.33Å
892P29.3Very low28Very low124 Ų124142.8 Ų142.881%0.80577%0.765SS**PPolyproline II helixtrans-71.1116.1174.729.2-30.2000108.8
893S26.9Very low28.3Very low103 Ų103142.9 Ų142.972%0.7277%0.765SS**PPolyproline II helixtrans-58.2139.816849.60000111K891 N895K891-S893 PolarHBondContact O-N 3.33Å; S893-N895 PolarHBondContact O-N 3.1Å
894D29.5Very low28.3Very low153 Ų153144.4 Ų144.482%0.81876%0.764SS**  trans-42.4101.8179.6-60.9-57.9000113.6I896D894-I896 VanDerWaalsContact C-N 3.34Å; D894-I896 PolarHBondContact O-N 3.16Å
895N26.5Very low28.4Very low137 Ų137139.4 Ų139.473%0.73375%0.746SS**  trans-7496161.7-90-22.3000108S893 Y897S893-N895 PolarHBondContact O-N 3.1Å; N895-Y897 VanDerWaalsContact C-N 3.29Å; N895-Y897 HydrophobicContact CB-CD2 4.48Å; N895-Y897 HydrophobicContact CB-CE2 4.39Å; N895-Y897 PolarHBondContact O-N 2.75Å
896I29.4Very low28.4Very low155 Ų155137 Ų13780%0.79573%0.734SS**  trans-56.190.8167-60.2167.1000107.7D894D894-I896 VanDerWaalsContact C-N 3.34Å; D894-I896 PolarHBondContact O-N 3.16Å
897Y25.9Very low28.5Very low206 Ų206136.4 Ų136.481%0.80873%0.725SS**  trans-73.8122.4163.8-87.9-86.6000107.8N895 A899N895-Y897 VanDerWaalsContact C-N 3.29Å; N895-Y897 HydrophobicContact CB-CD2 4.48Å; N895-Y897 HydrophobicContact CB-CE2 4.39Å; N895-Y897 PolarHBondContact O-N 2.75Å; Y897-A899 PolarHBondContact O-N 3.39Å
898P29.8Very low28.7Very low92 Ų92137.2 Ų137.260%0.59773%0.725SS**  trans-66.6129.5-176.2-13.226.7000110.2D900P898-D900 PolarHBondContact O-N 3.34Å
899A32.7Very low28.7Very low81 Ų81138.3 Ų138.367%0.66973%0.727SS**THydrogen-bonded Turntrans-64.612.3-176.500000115.7Y897Y897-A899 PolarHBondContact O-N 3.39Å
900D32.5Very low28.8Very low132 Ų132136.8 Ų136.871%0.70672%0.724SS**THydrogen-bonded Turntrans-85-9-175.7-75.2-28.1000114.2P898P898-D900 PolarHBondContact O-N 3.34Å
901I28.9Very low29.1Very low128 Ų128133.9 Ų133.966%0.65672%0.718SS**THydrogen-bonded Turntrans-89-29174.4-62.3178.1000111.7K903 K904 I905I901-K903 PolarHBondContact O-N 3.01Å; I901-K904 PolarHBondContact O-N 3.36Å; I901-I905 HydrophobicContact CG2-CD1 4.36Å
902Q29.3Very low29.5Very low120 Ų120129.6 Ų129.656%0.56171%0.712SS**Hα-helixtrans-71.6-30.9-177.2-156.163.437.800112.7K904Q902-K904 VanDerWaalsContact C-N 3.33Å; Q902-K904 PolarHBondContact O-N 3.01Å
903K30.4Very low30Very low174 Ų174126.2 Ų126.276%0.75769%0.691SS**Hα-helixtrans-76.7-15.1177.3-81.1-174176.1178.70114.8I901I901-K903 PolarHBondContact O-N 3.01Å
904K26.4Very low30.5Very low181 Ų181122.5 Ų122.579%0.78767%0.667SS**Hα-helixtrans-88.3-12.6175.8-100.6-176.8176.7179.20113.8I901 Q902I901-K904 PolarHBondContact O-N 3.36Å; Q902-K904 VanDerWaalsContact C-N 3.33Å; Q902-K904 PolarHBondContact O-N 3.01Å
905I28.1Very low31.3Very low99 Ų99119.6 Ų119.651%0.50865%0.651SS.*Hα-helixtrans-86.1-28.7177-63.4174.3000110.9I901 S907I901-I905 HydrophobicContact CG2-CD1 4.36Å; I905-S907 PolarHBondContact O-N 3.46Å
906D29.2Very low32.5Very low132 Ų132117.5 Ų117.571%0.70664%0.64SS**SBendtrans-89.59-174.6-66.5-17.9000115.3
907S29.4Very low33.4Very low76 Ų76112.1 Ų112.153%0.53161%0.61SS.*SBendtrans-142.5117.2172.954.60000113I905I905-S907 PolarHBondContact O-N 3.46Å
908N28.3Very low34.4Very low149 Ų149103.9 Ų103.980%0.79758%0.58SS**SBendtrans97.817.6167.4-57.7-11.6000119.6
909T28.3Very low35.7Very low124 Ų124102.1 Ų102.176%0.76157%0.568SS**  trans-110.243.1152.548.50000111.1V911T909-V911 PolarHBondContact O-N 3.23Å
910T29.5Very low36.8Very low127 Ų127100.6 Ų100.678%0.77956%0.555SS**  trans-61.3100.2151.14.90000105.7C912T910-C912 PolarHBondContact O-N 2.86Å; T910-C912 VanDerWaalsContact O-N 3.12Å
911V33.3Very low37.7Very low121 Ų12194.6 Ų94.673%0.73352%0.523SS*.  trans-32.4121.5154.3179.40000105.9T909 S913T909-V911 PolarHBondContact O-N 3.23Å; V911-S913 PolarHBondContact O-N 3.04Å
912C35.4Very low38.9Very low108 Ų10890 Ų9073%0.7350%0.499SS*.  trans-37.8122174.1-94.50000107.2T910 A914T910-C912 PolarHBondContact O-N 2.86Å; T910-C912 VanDerWaalsContact O-N 3.12Å; C912-A914 PolarHBondContact O-N 3.04Å
913S41.5Very low40.3Very low52 Ų5286.7 Ų86.736%0.36449%0.492SS..  trans-57.7138-168.879.10000107.4V911 N915 D916 Y917V911-S913 PolarHBondContact O-N 3.04Å; S913-N915 PolarHBondContact O-N 2.72Å; S913-D916 WeakPolarHBondContact CB-OD2 3.5Å; S913-D916 PolarHBondContact N-OD2 2.99Å; S913-D916 VanDerWaalsContact N-OD2 3.16Å; S913-D916 WeakPolarHBondContact O-CB 3.38Å; S913-D916 PolarHBondContact O-N 3Å; S913-D916 PolarHBondContact OG-N 3.36Å; S913-D916 PolarHBondContact OG-OD2 3.34Å; S913-Y917 PolarHBondContact O-N 3.28Å
914A36.8Very low41.3Very low25 Ų2582 Ų8221%0.20748%0.475CS..Hα-helixtrans-48.4-31.7178.400000112.1Q748 C912 Y917 L918Q748-A914 PolarHBondContact OE1-O 3.27Å; C912-A914 PolarHBondContact O-N 3.04Å; A914-Y917 PolarHBondContact O-N 3.25Å; A914-L918 PolarHBondContact O-N 3.21Å; A914-L918 VanDerWaalsContact O-N 3.1Å
915N44.9Very low42.5Very low92 Ų9275.2 Ų75.249%0.49245%0.447SS..Hα-helixtrans-64.6-36.5173.7-81.8-14.8000114.2S913 Y917 L918 T919S913-N915 PolarHBondContact O-N 2.72Å; N915-Y917 VanDerWaalsContact C-N 3.28Å; N915-Y917 PolarHBondContact O-N 3.46Å; N915-L918 PolarHBondContact O-N 3.37Å; N915-T919 VanDerWaalsContact O-CB 3.31Å; N915-T919 WeakPolarHBondContact O-CB 3.45Å; N915-T919 PolarHBondContact O-N 3.44Å; N915-T919 PolarHBondContact O-OG1 3.21Å
916D52.2Low43.4Very low94 Ų9473.8 Ų73.850%0.50346%0.457SS..Hα-helixtrans-64.2-38.3177.1-61.1-45.1000110.6S913 T919 A920S913-D916 WeakPolarHBondContact CB-OD2 3.5Å; S913-D916 PolarHBondContact N-OD2 2.99Å; S913-D916 VanDerWaalsContact N-OD2 3.16Å; S913-D916 WeakPolarHBondContact O-CB 3.38Å; S913-D916 PolarHBondContact O-N 3Å; S913-D916 PolarHBondContact OG-N 3.36Å; S913-D916 PolarHBondContact OG-OD2 3.34Å; D916-T919 PolarHBondContact O-N 3.23Å; D916-A920 WeakPolarHBondContact O-CB 3.37Å; D916-A920 PolarHBondContact O-N 3.43Å
917Y49Very low44.1Very low41 Ų4170.8 Ų70.816%0.16144%0.44CS..Hα-helixtrans-69.3-44.3177.3-174.1-92.4000112.4Q745 M749 S913 A914 N915 A920 S921Q745-Y917 HydrophobicContact CB-CE1 4.42Å; Q745-Y917 HydrophobicContact CG-CE1 4.45Å; Q745-Y917 HydrophobicContact CG-CE2 4.49Å; M749-Y917 HydrophobicContact CG-CE1 4.12Å; M749-Y917 HydrophobicContact SD-CE1 3.74Å; S913-Y917 PolarHBondContact O-N 3.28Å; A914-Y917 PolarHBondContact O-N 3.25Å; N915-Y917 VanDerWaalsContact C-N 3.28Å; N915-Y917 PolarHBondContact O-N 3.46Å; Y917-A920 PolarHBondContact O-N 2.95Å; Y917-S921 WeakPolarHBondContact CE1-OG 3.07Å; Y917-S921 VanDerWaalsContact O-CB 3.26Å; Y917-S921 WeakPolarHBondContact O-CB 3.05Å; Y917-S921 PolarHBondContact O-N 3.44Å; Y917-S921 PolarHBondContact O-OG 3.3Å
918L47.5Very low44.7Very low33 Ų3374.3 Ų74.317%0.17345%0.453CS..Hα-helixtrans-60.5-45.4172.7-79.8176.8000111.1Q748 A914 N915 A920 S921 F922Q748-L918 HydrophobicContact CB-CD2 3.84Å; Q748-L918 HydrophobicContact CB-CG 4.22Å; Q748-L918 HydrophobicContact CG-CG 4.47Å; A914-L918 PolarHBondContact O-N 3.21Å; A914-L918 VanDerWaalsContact O-N 3.1Å; N915-L918 PolarHBondContact O-N 3.37Å; L918-A920 PolarHBondContact O-N 3.21Å; L918-S921 PolarHBondContact O-N 2.95Å; L918-F922 HydrophobicContact CB-CD2 4.11Å; L918-F922 HydrophobicContact CB-CE2 4.05Å; L918-F922 HydrophobicContact CD2-CE2 3.83Å; L918-F922 HydrophobicContact CD2-CZ 4.32Å; L918-F922 HydrophobicContact CG-CE2 4.4Å; L918-F922 VanDerWaalsContact O-CB 3.32Å; L918-F922 WeakPolarHBondContact O-CB 3.36Å; L918-F922 WeakPolarHBondContact O-CD2 3.33Å; L918-F922 WeakPolarHBondContact O-CG 3.25Å; L918-F922 PolarHBondContact O-N 3.02Å
919T55.8Low45.2Very low56 Ų5670.6 Ų70.634%0.34443%0.433SS..Hα-helixtrans-61.4-45.5179.4-54.80000110.8N915 D916 A923N915-T919 VanDerWaalsContact O-CB 3.31Å; N915-T919 WeakPolarHBondContact O-CB 3.45Å; N915-T919 PolarHBondContact O-N 3.44Å; N915-T919 PolarHBondContact O-OG1 3.21Å; D916-T919 PolarHBondContact O-N 3.23Å; T919-A923 WeakPolarHBondContact O-CB 3.25Å; T919-A923 PolarHBondContact O-N 3.25Å
920A55.8Low45.5Very low49 Ų4972.1 Ų72.141%0.40544%0.436SS..Hα-helixtrans-64.3-41.3175.300000112.4D916 Y917 L918 N924D916-A920 WeakPolarHBondContact O-CB 3.37Å; D916-A920 PolarHBondContact O-N 3.43Å; Y917-A920 PolarHBondContact O-N 2.95Å; L918-A920 PolarHBondContact O-N 3.21Å; A920-N924 VanDerWaalsContact O-CB 3.31Å; A920-N924 WeakPolarHBondContact O-CB 3.13Å; A920-N924 PolarHBondContact O-N 2.87Å; A920-N924 PolarHBondContact O-ND2 2.69Å
921S51.5Low46Very low5 Ų572.8 Ų72.84%0.03543%0.425CS..Hα-helixtrans-67.1-43.4178.6-63.70000111.9Y917 L918 N924 L925Y917-S921 WeakPolarHBondContact CE1-OG 3.07Å; Y917-S921 VanDerWaalsContact O-CB 3.26Å; Y917-S921 WeakPolarHBondContact O-CB 3.05Å; Y917-S921 PolarHBondContact O-N 3.44Å; Y917-S921 PolarHBondContact O-OG 3.3Å; L918-S921 PolarHBondContact O-N 2.95Å; S921-N924 PolarHBondContact O-N 2.82Å; S921-L925 WeakPolarHBondContact O-CD1 3.39Å; S921-L925 VanDerWaalsContact O-CG 3.23Å; S921-L925 WeakPolarHBondContact O-CG 3.16Å; S921-L925 PolarHBondContact O-N 3.36Å
922F54.3Low45.9Very low32 Ų3270 Ų7014%0.1442%0.42CS..Hα-helixtrans-67.3-43.6175.6-74.8-54.6000111.4L918 N924 L925 G926 I927 I929L918-F922 HydrophobicContact CB-CD2 4.11Å; L918-F922 HydrophobicContact CB-CE2 4.05Å; L918-F922 HydrophobicContact CD2-CE2 3.83Å; L918-F922 HydrophobicContact CD2-CZ 4.32Å; L918-F922 HydrophobicContact CG-CE2 4.4Å; L918-F922 VanDerWaalsContact O-CB 3.32Å; L918-F922 WeakPolarHBondContact O-CB 3.36Å; L918-F922 WeakPolarHBondContact O-CD2 3.33Å; L918-F922 WeakPolarHBondContact O-CG 3.25Å; L918-F922 PolarHBondContact O-N 3.02Å; F922-N924 VanDerWaalsContact C-N 3.33Å; F922-N924 PolarHBondContact O-N 2.84Å; F922-L925 CarbonylContact O-C 3.58Å; F922-L925 WeakPolarHBondContact O-CA 3.18Å; F922-L925 PolarHBondContact O-N 2.84Å; F922-G926 PolarHBondContact O-N 3.19Å; F922-G926 VanDerWaalsContact O-N 3.11Å; F922-I927 CarbonylContact C-O 3.59Å; F922-I927 HydrophobicContact CB-CB 4.14Å; F922-I927 HydrophobicContact CB-CG2 4.44Å; F922-I927 WeakPolarHBondContact CB-O 3.16Å; F922-I927 HydrophobicContact CD1-CB 4.24Å; F922-I927 HydrophobicContact CD1-CD1 4.13Å; F922-I927 HydrophobicContact CD1-CG2 4.26Å; F922-I927 WeakPolarHBondContact O-CA 2.97Å; F922-I927 PolarHBondContact O-N 2.75Å; F922-I929 HydrophobicContact CB-CD1 4.42Å; F922-I929 HydrophobicContact CD2-CD1 3.41Å; F922-I929 VanDerWaalsContact CD2-CD1 3.41Å; F922-I929 HydrophobicContact CD2-CG1 4.46Å; F922-I929 HydrophobicContact CE2-CD1 3.71Å; F922-I929 HydrophobicContact CG-CD1 3.95Å; F922-I929 HydrophobicContact CZ-CD1 4.45Å
923A59.1Low45.6Very low51 Ų5168.9 Ų68.942%0.42142%0.419SS..Hα-helixtrans-58.8-43.9174.400000111.7T919 L925 G926T919-A923 WeakPolarHBondContact O-CB 3.25Å; T919-A923 PolarHBondContact O-N 3.25Å; A923-L925 VanDerWaalsContact C-N 3.25Å; A923-L925 PolarHBondContact O-N 3.04Å; A923-G926 PolarHBondContact O-N 3.14Å
924N52.2Low45.1Very low74 Ų7472 Ų7240%0.39644%0.438SS..Hα-helixtrans-64-28.9175-75.2-19.6000113P675 A920 S921 F922 G926P675-N924 WeakPolarHBondContact CD-O 3.5Å; A920-N924 VanDerWaalsContact O-CB 3.31Å; A920-N924 WeakPolarHBondContact O-CB 3.13Å; A920-N924 PolarHBondContact O-N 2.87Å; A920-N924 PolarHBondContact O-ND2 2.69Å; S921-N924 PolarHBondContact O-N 2.82Å; F922-N924 VanDerWaalsContact C-N 3.33Å; F922-N924 PolarHBondContact O-N 2.84Å; N924-G926 VanDerWaalsContact C-N 3.27Å
925L50.2Low44.7Very low40 Ų4078.3 Ų78.321%0.20947%0.467CS..THydrogen-bonded Turntrans-83.10.3172.9-67.9167.5000113.3T673 P753 I754 S921 F922 A923 I927T673-L925 WeakPolarHBondContact O-CD2 3.38Å; P753-L925 HydrophobicContact CG-CD1 3.96Å; I754-L925 HydrophobicContact CD1-CD1 4.41Å; I754-L925 HydrophobicContact CD1-CD2 3.66Å; I754-L925 HydrophobicContact CG1-CD2 4.28Å; S921-L925 WeakPolarHBondContact O-CD1 3.39Å; S921-L925 VanDerWaalsContact O-CG 3.23Å; S921-L925 WeakPolarHBondContact O-CG 3.16Å; S921-L925 PolarHBondContact O-N 3.36Å; F922-L925 CarbonylContact O-C 3.58Å; F922-L925 WeakPolarHBondContact O-CA 3.18Å; F922-L925 PolarHBondContact O-N 2.84Å; A923-L925 VanDerWaalsContact C-N 3.25Å; A923-L925 PolarHBondContact O-N 3.04Å; L925-I927 VanDerWaalsContact C-N 3.35Å; L925-I927 HydrophobicContact CB-CD1 4.47Å
926G48.2Very low43.9Very low69 Ų6981.3 Ų81.371%0.71148%0.484SS*.THydrogen-bonded Turntrans76.916.4-177.100000114.5F922 A923 N924F922-G926 PolarHBondContact O-N 3.19Å; F922-G926 VanDerWaalsContact O-N 3.11Å; A923-G926 PolarHBondContact O-N 3.14Å; N924-G926 VanDerWaalsContact C-N 3.27Å
927I44.1Very low42.9Very low68 Ų6883.6 Ų83.635%0.34949%0.494SS..  trans-101.5101.3177.7-58.6173.2000107.8P753 F922 L925 I929P753-I927 HydrophobicContact CG-CD1 3.79Å; F922-I927 CarbonylContact C-O 3.59Å; F922-I927 HydrophobicContact CB-CB 4.14Å; F922-I927 HydrophobicContact CB-CG2 4.44Å; F922-I927 WeakPolarHBondContact CB-O 3.16Å; F922-I927 HydrophobicContact CD1-CB 4.24Å; F922-I927 HydrophobicContact CD1-CD1 4.13Å; F922-I927 HydrophobicContact CD1-CG2 4.26Å; F922-I927 WeakPolarHBondContact O-CA 2.97Å; F922-I927 PolarHBondContact O-N 2.75Å; L925-I927 VanDerWaalsContact C-N 3.35Å; L925-I927 HydrophobicContact CB-CD1 4.47Å; I927-I929 HydrophobicContact CG2-CG1 4.25Å
928N40.8Very low41.8Very low151 Ų15187.4 Ų87.481%0.80752%0.522SS*.  trans-85.6112.8173.6-123.3-14.4000109
929I39.8Very low40.9Very low71 Ų7196.5 Ų96.536%0.36457%0.57SS.*  trans-91.4100.7171.4-56.2176.5000106.3F922 I927 Y931F922-I929 HydrophobicContact CB-CD1 4.42Å; F922-I929 HydrophobicContact CD2-CD1 3.41Å; F922-I929 VanDerWaalsContact CD2-CD1 3.41Å; F922-I929 HydrophobicContact CD2-CG1 4.46Å; F922-I929 HydrophobicContact CE2-CD1 3.71Å; F922-I929 HydrophobicContact CG-CD1 3.95Å; F922-I929 HydrophobicContact CZ-CD1 4.45Å; I927-I929 HydrophobicContact CG2-CG1 4.25Å; I929-Y931 HydrophobicContact CG2-CD2 4.48Å; I929-Y931 HydrophobicContact CG2-CE2 4.33Å; I929-Y931 PolarHBondContact O-N 2.99Å
930D33.2Very low40.2Very low156 Ų15698.5 Ų98.583%0.83458%0.582SS**  trans-64.2102.6166-116.5-17.3000106.7G932D930-G932 PolarHBondContact O-N 3.36Å
931Y39.7Very low39.4Very low141 Ų141101.1 Ų101.155%0.55359%0.591SS**  trans-69.182.3162.7-73.8-80000106.5I929 A933I929-Y931 HydrophobicContact CG2-CD2 4.48Å; I929-Y931 HydrophobicContact CG2-CE2 4.33Å; I929-Y931 PolarHBondContact O-N 2.99Å; Y931-A933 PolarHBondContact O-N 3.29Å
932G32.5Very low38.7Very low61 Ų61106.4 Ų106.463%0.62962%0.622SS**  trans-48.9138.1176.600000110.4D930D930-G932 PolarHBondContact O-N 3.36Å
933A28.5Very low37.8Very low85 Ų85110.8 Ų110.870%0.70265%0.65SS**SBendtrans-34.1144.6175.600000113Y931 L935Y931-A933 PolarHBondContact O-N 3.29Å; A933-L935 PolarHBondContact O-N 3.49Å
934P31.5Very low36.5Very low118 Ų118114.6 Ų114.677%0.76667%0.665SS**  trans-51.1118.3-175.421.7-32.3000109.3N936P934-N936 PolarHBondContact O-N 3.08Å
935L28.2Very low35.4Very low157 Ų157117.3 Ų117.382%0.82268%0.682SS**  trans-52.3104.7169.3-85.1140.5000107.2A933 I937A933-L935 PolarHBondContact O-N 3.49Å; L935-I937 HydrophobicContact CB-CG1 4.25Å; L935-I937 PolarHBondContact O-N 3.4Å
936N27.6Very low34.4Very low155 Ų155122.8 Ų122.883%0.82972%0.716SS**  trans-61.987.2164.1-90.7-31.5000107P934 V938P934-N936 PolarHBondContact O-N 3.08Å; N936-V938 VanDerWaalsContact C-N 3.28Å; N936-V938 PolarHBondContact O-N 3.11Å; N936-V938 VanDerWaalsContact O-N 3.14Å
937I31Very low33.3Very low142 Ų142126.9 Ų126.973%0.72872%0.717SS**  trans-80.690166-59.9173.6000105.2L935L935-I937 HydrophobicContact CB-CG1 4.25Å; L935-I937 PolarHBondContact O-N 3.4Å
938V26.2Very low32.4Very low122 Ų122131.8 Ų131.874%0.73975%0.747SS**  trans-83.399.7154.3176.20000105.3N936N936-V938 VanDerWaalsContact C-N 3.28Å; N936-V938 PolarHBondContact O-N 3.11Å; N936-V938 VanDerWaalsContact O-N 3.14Å
939D29.7Very low31.6Very low223 Ų223130.1 Ų130.1100%1.19374%0.742SS**  trans179.60137.5-91.2-16.8000110.7

Retrieved 939 of 939 residues in 1170.1 ms (Link to these results)

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