A0A3Q0KMJ1_SCHMA Loading...

Putative dna double-strand break repair rad50 ATPase

AlphaFold DB , UniProt , Accession A0A3Q0KMJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,303 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
1M26.5Very low58.7Low233 Ų233107.5 Ų107.5100%1.14853%0.532SS*.  0102.40-86.9178.9148.300107.6R3M1-R3 PolarHBondContact O-N 3.29Å
2S30.7Very low60.5Low122 Ų12299.7 Ų99.785%0.85349%0.494SS*.  trans-68.383.6172.5-47.60000107.7N4S2-N4 PolarHBondContact O-N 3.33Å
3R38.8Very low62.1Low218 Ų218101.8 Ų101.882%0.82349%0.494SS*.  trans-62.1109.1166.2-83.7-175.8178.9173.2-1104.9M1 M5M1-R3 PolarHBondContact O-N 3.29Å; R3-M5 PolarHBondContact O-N 3.14Å
4N45.4Very low63.5Low124 Ų12494.7 Ų94.766%0.66346%0.459SS*.  trans-53102.2158.5-78.3-11.8000105S2 E6S2-N4 PolarHBondContact O-N 3.33Å; N4-E6 PolarHBondContact O-N 3.45Å
5M57.9Low65Low55 Ų5588.4 Ų88.427%0.27143%0.429SS..  trans-73.679.5178-66.7-170.2100.200106.5R3 Y90 M141R3-M5 PolarHBondContact O-N 3.14Å; M5-Y90 HydrophobicContact CB-CD1 4.3Å; M5-Y90 HydrophobicContact CB-CD2 3.86Å; M5-Y90 HydrophobicContact CB-CE1 4.45Å; M5-Y90 HydrophobicContact CB-CE2 4.09Å; M5-Y90 HydrophobicContact CB-CG 4.02Å; M5-Y90 HydrophobicContact CE-CE1 4.43Å; M5-Y90 WeakPolarHBondContact O-CB 3.36Å; M5-Y90 WeakPolarHBondContact O-CD2 3.49Å; M5-Y90 HydrophobicContact SD-CE1 4.01Å; M5-M141 HydrophobicContact CE-CE 4.21Å; M5-M141 HydrophobicContact SD-CE 3.88Å
6E64.7Low66.2Low152 Ų15291.1 Ų91.171%0.7143%0.433SS*.PPolyproline II helixtrans-68.6138.1168.3-75178.1175.800108.2N4 S148N4-E6 PolarHBondContact O-N 3.45Å; E6-S148 PolarHBondContact O-OG 3.49Å
7V70.4Confident67.1Low21 Ų2189.5 Ų89.513%0.12743%0.425CS..PPolyproline II helixtrans-86.1130.4174-167.50000106.6E9 V12 Y90 Y93 L147V7-E9 PolarHBondContact O-N 3.08Å; V7-V12 HydrophobicContact CB-CG2 3.7Å; V7-V12 HydrophobicContact CG1-CG2 3.31Å; V7-Y90 HydrophobicContact CG2-CD2 3.51Å; V7-Y90 HydrophobicContact CG2-CE2 4.43Å; V7-Y90 HydrophobicContact CG2-CG 4.11Å; V7-Y93 HydrophobicContact CG1-CD2 4.48Å; V7-Y93 HydrophobicContact CG2-CD2 4.06Å; V7-L147 HydrophobicContact CG1-CB 4.27Å; V7-L147 HydrophobicContact CG1-CD2 4.41Å
8N77.4Confident68.2Low19 Ų1984.5 Ų84.510%0.10240%0.401CS..PPolyproline II helixtrans-56.5123.4175.7-178.2-36.7000110.2N10 R11 V12 L147 L149 D150N8-N10 PolarHBondContact O-N 3.46Å; N8-N10 WeakPolarHBondContact OD1-CB 3.31Å; N8-N10 PolarHBondContact OD1-N 3.16Å; N8-R11 HydrophobicContact CB-CB 4.18Å; N8-R11 HydrophobicContact CB-CG 3.78Å; N8-R11 WeakPolarHBondContact O-CB 3.29Å; N8-R11 PolarHBondContact O-N 3.44Å; N8-V12 PolarHBondContact O-N 3.29Å; N8-L147 PolarHBondContact N-O 3.35Å; N8-L149 PolarHBondContact ND2-O 2.99Å; N8-D150 PolarHBondContact ND2-OD1 2.84Å
9E76.3Confident69.1Low170 Ų17080.9 Ų80.979%0.79439%0.386SS*.Hα-helixtrans-58.7-34.8-176.9-71.1-167159.800112.9V7 R11 V12 R13V7-E9 PolarHBondContact O-N 3.08Å; E9-R11 VanDerWaalsContact C-N 3.35Å; E9-V12 PolarHBondContact O-N 2.99Å; E9-R13 WeakPolarHBondContact O-CB 3.32Å; E9-R13 PolarHBondContact O-N 2.68Å
10N76.8Confident69.7Low65 Ų6582.3 Ų82.335%0.34839%0.391SS..Hα-helixtrans-65-40.2175.8-78.9-41.5000111.4N8 R13 C14N8-N10 PolarHBondContact O-N 3.46Å; N8-N10 WeakPolarHBondContact OD1-CB 3.31Å; N8-N10 PolarHBondContact OD1-N 3.16Å; N10-R13 PolarHBondContact O-N 2.94Å; N10-R13 PolarHBondContact OD1-NH2 3.08Å; N10-C14 PolarHBondContact O-N 2.86Å; N10-C14 PolarHBondContact O-SG 2.96Å
11R80.7Confident70.3Confident4 Ų482 Ų822%0.01539%0.389CS..Hα-helixtrans-67.8-42.5176.6-60.4-66.2-179.2154.50.6111.1N8 E9 R13 C14 L15 H125 E128 M129N8-R11 HydrophobicContact CB-CB 4.18Å; N8-R11 HydrophobicContact CB-CG 3.78Å; N8-R11 WeakPolarHBondContact O-CB 3.29Å; N8-R11 PolarHBondContact O-N 3.44Å; E9-R11 VanDerWaalsContact C-N 3.35Å; R11-R13 VanDerWaalsContact C-N 3.32Å; R11-R13 PolarHBondContact O-N 3.41Å; R11-C14 WeakPolarHBondContact O-CB 3.49Å; R11-C14 PolarHBondContact O-N 3.35Å; R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 2.89Å; R11-H125 PolarHBondContact NH1-ND1 3.48Å; R11-H125 VanDerWaalsContact NH1-ND1 3.1Å; R11-H125 PolarHBondContact NH1-O 2.84Å; R11-H125 VanDerWaalsContact NH1-O 3.12Å; R11-H125 PolarHBondContact NH2-ND1 2.82Å; R11-H125 VanDerWaalsContact NH2-ND1 3.17Å; R11-E128 IonicContact CZ-OE2 3.23Å; R11-E128 IonicContact NH1-OE2 2.86Å; R11-E128 PolarHBondContact NH1-OE2 3.5Å; R11-E128 IonicContact NH2-OE1 3.73Å; R11-E128 IonicContact NH2-OE2 2.74Å; R11-E128 PolarHBondContact NH2-OE2 3.05Å; R11-M129 HydrophobicContact CB-SD 3.91Å; R11-M129 HydrophobicContact CG-SD 4.21Å
12V80.7Confident72.9Confident13 Ų1371.6 Ų71.68%0.07934%0.339CS..Hα-helixtrans-57.2-46.1172.5168.70000111V7 N8 E9 C14 L15 R16 Y93V7-V12 HydrophobicContact CB-CG2 3.7Å; V7-V12 HydrophobicContact CG1-CG2 3.31Å; N8-V12 PolarHBondContact O-N 3.29Å; E9-V12 PolarHBondContact O-N 2.99Å; V12-C14 PolarHBondContact O-N 3.47Å; V12-L15 PolarHBondContact O-N 3.34Å; V12-R16 VanDerWaalsContact CG1-NE 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.11Å; V12-R16 PolarHBondContact O-N 3.43Å; V12-Y93 HydrophobicContact CB-CE1 4.38Å; V12-Y93 HydrophobicContact CG1-CE1 3.79Å; V12-Y93 HydrophobicContact CG1-CE2 4.03Å; V12-Y93 VanDerWaalsContact CG1-CZ 3.45Å; V12-Y93 WeakPolarHBondContact CG1-OH 3.16Å; V12-Y93 HydrophobicContact CG2-CD1 4.41Å; V12-Y93 HydrophobicContact CG2-CD2 4.02Å; V12-Y93 HydrophobicContact CG2-CE1 4.26Å; V12-Y93 HydrophobicContact CG2-CE2 3.88Å; V12-Y93 HydrophobicContact CG2-CG 4.32Å
13R80.7Confident75Confident128 Ų12867.8 Ų67.848%0.48331%0.308SS..Hα-helixtrans-61.6-42.7176.9-174.8177.962.9173.6-4111.7E9 N10 R11 R16 Q17E9-R13 WeakPolarHBondContact O-CB 3.32Å; E9-R13 PolarHBondContact O-N 2.68Å; N10-R13 PolarHBondContact O-N 2.94Å; N10-R13 PolarHBondContact OD1-NH2 3.08Å; R11-R13 VanDerWaalsContact C-N 3.32Å; R11-R13 PolarHBondContact O-N 3.41Å; R13-R16 PolarHBondContact O-N 3.39Å; R13-Q17 PolarHBondContact O-N 2.97Å
14C82.3Confident76.2Confident2 Ų262.5 Ų62.51%0.01430%0.302CS..Hα-helixtrans-59.9-47.9175.4-66.10000111.5N10 R11 V12 R16 Q17 W18 M122 M129N10-C14 PolarHBondContact O-N 2.86Å; N10-C14 PolarHBondContact O-SG 2.96Å; R11-C14 WeakPolarHBondContact O-CB 3.49Å; R11-C14 PolarHBondContact O-N 3.35Å; V12-C14 PolarHBondContact O-N 3.47Å; C14-R16 PolarHBondContact O-N 3.23Å; C14-Q17 PolarHBondContact O-N 3.44Å; C14-W18 WeakPolarHBondContact O-CB 3.34Å; C14-W18 PolarHBondContact O-N 3.13Å; C14-M122 VanDerWaalsContact SG-CG 3.56Å; C14-M129 HydrophobicContact CB-CE 4.45Å
15L85.4Confident76.6Confident0 Ų061.6 Ų61.60%031%0.306CS..Hα-helixtrans-63.1-42.6179.1-68.8175.9000111.8R11 V12 W18 V19 Y93 L96 L97 L100 M129 L147R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 2.89Å; V12-L15 PolarHBondContact O-N 3.34Å; L15-W18 HydrophobicContact CD2-CE3 4.34Å; L15-W18 PolarHBondContact O-N 3.3Å; L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.24Å; L15-Y93 HydrophobicContact CD1-CD1 3.92Å; L15-L96 HydrophobicContact CB-CD2 4.1Å; L15-L97 HydrophobicContact CD2-CD1 3.96Å; L15-L100 HydrophobicContact CD2-CD1 3.84Å; L15-M129 HydrophobicContact CD1-SD 4.44Å; L15-M129 HydrophobicContact CD2-CE 3.89Å; L15-M129 HydrophobicContact CD2-SD 4.36Å; L15-M129 HydrophobicContact CG-CE 4.1Å; L15-M129 HydrophobicContact CG-SD 4.33Å; L15-L147 HydrophobicContact CD1-CD2 3.88Å
16R83.9Confident75.9Confident131 Ų13164 Ų6449%0.49433%0.328SS..Hα-helixtrans-63.5-47.1177.3-72-170.4-133.2-127.410.7112.4V12 R13 C14 W18 V19 E20 Y93V12-R16 VanDerWaalsContact CG1-NE 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.11Å; V12-R16 PolarHBondContact O-N 3.43Å; R13-R16 PolarHBondContact O-N 3.39Å; C14-R16 PolarHBondContact O-N 3.23Å; R16-W18 VanDerWaalsContact C-N 3.27Å; R16-W18 PolarHBondContact O-N 2.95Å; R16-V19 PolarHBondContact O-N 3.28Å; R16-V19 VanDerWaalsContact O-N 3.16Å; R16-E20 WeakPolarHBondContact O-CG 3.36Å; R16-E20 PolarHBondContact O-N 3.4Å; R16-Y93 PolarHBondContact NE-OH 3.39Å; R16-Y93 PolarHBondContact NH1-OH 3.16Å; R16-Y93 PolarHBondContact NH2-OH 3.46Å
17Q82.1Confident74.8Confident64 Ų6462.4 Ų62.430%0.29933%0.333SS..Hα-helixtrans-63.3-35.9177.7-74.4-170.3-1500112.1R13 C14 E20 H21 L118 M122R13-Q17 PolarHBondContact O-N 2.97Å; C14-Q17 PolarHBondContact O-N 3.44Å; Q17-E20 PolarHBondContact O-N 2.96Å; Q17-H21 PolarHBondContact O-N 2.89Å; Q17-H21 VanDerWaalsContact O-N 3.13Å; Q17-L118 HydrophobicContact CB-CD2 3.61Å; Q17-M122 PolarHBondContact OE1-SD 3.34Å
18W87Confident73.4Confident0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-62.5-44.1174.2-167.913.3000111.7C14 L15 R16 H21 I22 L100 L104 F111 A115 L118 I126 T130C14-W18 WeakPolarHBondContact O-CB 3.34Å; C14-W18 PolarHBondContact O-N 3.13Å; L15-W18 HydrophobicContact CD2-CE3 4.34Å; L15-W18 PolarHBondContact O-N 3.3Å; R16-W18 VanDerWaalsContact C-N 3.27Å; R16-W18 PolarHBondContact O-N 2.95Å; W18-H21 PolarHBondContact O-N 3.28Å; W18-I22 WeakPolarHBondContact O-CG1 3.33Å; W18-I22 PolarHBondContact O-N 2.93Å; W18-L100 HydrophobicContact CD2-CD1 4.38Å; W18-L100 HydrophobicContact CD2-CD2 4.18Å; W18-L100 HydrophobicContact CE3-CB 4.36Å; W18-L100 HydrophobicContact CE3-CD1 3.66Å; W18-L100 HydrophobicContact CE3-CD2 4.18Å; W18-L100 HydrophobicContact CE3-CG 4.29Å; W18-L100 HydrophobicContact CH2-CB 3.91Å; W18-L100 HydrophobicContact CZ3-CB 3.76Å; W18-L100 HydrophobicContact CZ3-CD1 3.83Å; W18-L100 HydrophobicContact CZ3-CD2 4.35Å; W18-L100 HydrophobicContact CZ3-CG 4.2Å; W18-L104 HydrophobicContact CH2-CD1 3.71Å; W18-L104 HydrophobicContact CH2-CD2 4.48Å; W18-L104 HydrophobicContact CH2-CG 4.03Å; W18-L104 HydrophobicContact CZ2-CD1 4.15Å; W18-L104 HydrophobicContact CZ2-CD2 4.09Å; W18-L104 HydrophobicContact CZ2-CG 4.07Å; W18-F111 HydrophobicContact CZ2-CB 4.38Å; W18-F111 PolarHBondContact NE1-O 3.01Å; W18-A115 HydrophobicContact CZ2-CB 4.1Å; W18-L118 HydrophobicContact CB-CD1 3.81Å; W18-L118 HydrophobicContact CG-CD1 4.08Å; W18-I126 HydrophobicContact CB-CD1 4.09Å; W18-I126 HydrophobicContact CD2-CD1 3.81Å; W18-I126 HydrophobicContact CD2-CG1 4.44Å; W18-I126 HydrophobicContact CD2-CG2 4.38Å; W18-I126 HydrophobicContact CE3-CD1 3.79Å; W18-I126 HydrophobicContact CE3-CG1 3.93Å; W18-I126 HydrophobicContact CE3-CG2 3.84Å; W18-I126 HydrophobicContact CG-CD1 3.94Å; W18-I126 HydrophobicContact CH2-CG2 3.76Å; W18-I126 HydrophobicContact CZ2-CG2 4.26Å; W18-I126 HydrophobicContact CZ3-CG1 4.38Å; W18-I126 HydrophobicContact CZ3-CG2 3.51Å; W18-T130 HydrophobicContact CH2-CG2 4.04Å; W18-T130 HydrophobicContact CZ3-CG2 3.92Å
19V85.5Confident72.1Confident17 Ų1776.8 Ų76.810%0.10340%0.4CS..Hα-helixtrans-63.3-41.8175.5173.90000111.7L15 R16 H21 I22 I23 T36 L40 L96 L100L15-V19 VanDerWaalsContact O-CG2 3.26Å; L15-V19 WeakPolarHBondContact O-CG2 3.3Å; L15-V19 PolarHBondContact O-N 3.24Å; R16-V19 PolarHBondContact O-N 3.28Å; R16-V19 VanDerWaalsContact O-N 3.16Å; V19-H21 PolarHBondContact O-N 3.3Å; V19-I22 WeakPolarHBondContact O-CA 3.46Å; V19-I22 PolarHBondContact O-N 2.88Å; V19-I23 PolarHBondContact O-N 3.08Å; V19-T36 HydrophobicContact CG1-CG2 3.95Å; V19-L40 HydrophobicContact CG1-CD1 4.2Å; V19-L40 HydrophobicContact CG2-CD1 4.07Å; V19-L96 HydrophobicContact CG2-CD1 3.78Å; V19-L96 HydrophobicContact CG2-CD2 4.12Å; V19-L96 HydrophobicContact CG2-CG 4.33Å; V19-L100 HydrophobicContact CG2-CD1 4.3Å; V19-L100 HydrophobicContact CG2-CD2 4.19Å
20E81.4Confident70.5Confident107 Ų10776.5 Ų76.550%0.540%0.403SS..Hα-helixtrans-61.6-30.9177.1-74.4176.8173.700113R16 Q17 I22 I23R16-E20 WeakPolarHBondContact O-CG 3.36Å; R16-E20 PolarHBondContact O-N 3.4Å; Q17-E20 PolarHBondContact O-N 2.96Å; E20-I22 VanDerWaalsContact C-N 3.28Å; E20-I23 CarbonylContact O-C 3.58Å
21H81.8Confident69.2Low76 Ų7676 Ų7635%0.35240%0.402SS..Hα-helixtrans-74.8-17173.3-72.4-23.1000114Q17 W18 V19 A114Q17-H21 PolarHBondContact O-N 2.89Å; Q17-H21 VanDerWaalsContact O-N 3.13Å; W18-H21 PolarHBondContact O-N 3.28Å; V19-H21 PolarHBondContact O-N 3.3Å; H21-A114 HydrophobicContact CB-CB 3.75Å
22I81.6Confident68.3Low16 Ų1683.9 Ų83.98%0.08243%0.432CS..Hα-helixtrans-94.7-45.8177.5-60.5163.2000110.4W18 V19 E20 L40 L43 L100 F111 A114W18-I22 WeakPolarHBondContact O-CG1 3.33Å; W18-I22 PolarHBondContact O-N 2.93Å; V19-I22 WeakPolarHBondContact O-CA 3.46Å; V19-I22 PolarHBondContact O-N 2.88Å; E20-I22 VanDerWaalsContact C-N 3.28Å; I22-L40 HydrophobicContact CB-CD2 4.23Å; I22-L40 HydrophobicContact CD1-CD2 4.45Å; I22-L40 HydrophobicContact CG2-CD2 3.73Å; I22-L43 HydrophobicContact CG2-CD1 3.9Å; I22-L100 HydrophobicContact CD1-CD2 3.7Å; I22-F111 HydrophobicContact CD1-CD1 3.47Å; I22-F111 VanDerWaalsContact CD1-CD1 3.47Å; I22-F111 HydrophobicContact CD1-CE1 3.68Å; I22-F111 HydrophobicContact CD1-CG 4.21Å; I22-F111 HydrophobicContact CG2-CE1 4.47Å; I22-F111 HydrophobicContact CG2-CZ 4.38Å; I22-A114 HydrophobicContact CD1-CB 4.2Å; I22-A114 HydrophobicContact CG1-CB 3.41Å; I22-A114 VanDerWaalsContact CG1-CB 3.41Å
23I74.2Confident67.9Low41 Ų4187.5 Ų87.521%0.2145%0.448CS..SBendtrans-11698.3176-55.9173.8000108.1V19 E20 S25 Q39 L40 L43V19-I23 PolarHBondContact O-N 3.08Å; E20-I23 CarbonylContact O-C 3.58Å; I23-S25 PolarHBondContact O-N 3.48Å; I23-Q39 HydrophobicContact CD1-CB 3.82Å; I23-L40 HydrophobicContact CD1-CD2 3.69Å; I23-L40 HydrophobicContact CD1-CG 3.8Å; I23-L40 HydrophobicContact CG1-CD2 4.04Å; I23-L43 HydrophobicContact CD1-CD1 4.14Å; I23-L43 HydrophobicContact CG1-CD1 3.67Å
24P63.3Low67.7Low107 Ų10784.3 Ų84.370%0.69544%0.436SS*.  trans-62.4123.8174.8-1830.4000109.8S26P24-S26 PolarHBondContact O-N 3.32Å
25S53.9Low67.5Low106 Ų10688.4 Ų88.474%0.74145%0.451SS*.  trans-64.6113.2-17436.70000112.9I23I23-S25 PolarHBondContact O-N 3.48Å
26S43.6Very low67.3Low105 Ų10589.7 Ų89.773%0.73446%0.46SS*.  trans-90.996.9163.261.80000109.8P24 D28P24-S26 PolarHBondContact O-N 3.32Å; S26-D28 VanDerWaalsContact C-N 3.29Å; S26-D28 PolarHBondContact O-N 2.89Å
27S41.5Very low67.3Low118 Ų11883.5 Ų83.583%0.82544%0.436SS*.SBendtrans33.2-10.5162.255.90000124.7K29S27-K29 PolarHBondContact O-N 3.3Å
28D41.8Very low67.3Low134 Ų13480.4 Ų80.472%0.71742%0.422SS*.  trans-97.891.6175.9-96.5-29.5000111.4S26 N30 V31S26-D28 VanDerWaalsContact C-N 3.29Å; S26-D28 PolarHBondContact O-N 2.89Å; D28-N30 PolarHBondContact O-N 2.85Å; D28-V31 HydrophobicContact CB-CG2 4.43Å
29K49.9Very low67.1Low209 Ų20983.4 Ų83.491%0.90944%0.436SS*.THydrogen-bonded Turntrans-69.711.8-176.8-79.6-173.6175.2-178.40115.7S27S27-K29 PolarHBondContact O-N 3.3Å
30N42.1Very low67.1Low163 Ų16382.6 Ų82.687%0.87243%0.431SS*.THydrogen-bonded Turntrans-131.929.1-179.2-101-21000114D28 R32D28-N30 PolarHBondContact O-N 2.85Å; N30-R32 PolarHBondContact O-N 3.25Å
31V49.6Very low67.3Low54 Ų5477.5 Ų77.533%0.32741%0.407SS..  trans-65.8101.8165.6178.10000108.1D28 E33 R35D28-V31 HydrophobicContact CB-CG2 4.43Å; V31-E33 PolarHBondContact O-N 3.36Å; V31-R35 HydrophobicContact CG1-CB 3.72Å; V31-R35 HydrophobicContact CG1-CG 3.89Å
32R62.1Low67.4Low170 Ų17074.4 Ų74.464%0.64239%0.393SS*.  trans-34.9122.1177.8-152.6179.6-78.2-156.8-3110.3N30 W34 R35N30-R32 PolarHBondContact O-N 3.25Å; R32-W34 PolarHBondContact O-N 3.23Å; R32-R35 WeakPolarHBondContact O-CB 3.43Å; R32-R35 PolarHBondContact O-N 2.96Å
33E72.1Confident67.4Low89 Ų8976.5 Ų76.542%0.41640%0.404SS..Hα-helixtrans-36.7-43.7-172.4-75.2-178.7161.100115.1V31 R35 T36 Y92V31-E33 PolarHBondContact O-N 3.36Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.49Å; E33-T36 WeakPolarHBondContact O-CB 3.48Å; E33-T36 PolarHBondContact O-N 2.9Å; E33-Y92 VanDerWaalsContact C-CE2 3.48Å; E33-Y92 HydrophobicContact CB-CD2 3.82Å; E33-Y92 HydrophobicContact CB-CE1 4.21Å; E33-Y92 HydrophobicContact CB-CE2 3.46Å; E33-Y92 VanDerWaalsContact CB-CE2 3.46Å; E33-Y92 HydrophobicContact CB-CG 4.34Å; E33-Y92 HydrophobicContact CG-CE1 4.19Å; E33-Y92 HydrophobicContact CG-CE2 4.33Å; E33-Y92 VanDerWaalsContact O-CE2 3.28Å; E33-Y92 WeakPolarHBondContact O-CE2 3.26Å; E33-Y92 PolarHBondContact O-OH 2.97Å
34W77.4Confident67.9Low62 Ų6274.9 Ų74.924%0.23540%0.396CS..Hα-helixtrans-59.3-32176.8-70.4105.5000115.4R32 T36 L37 L38 I58 P59 V62 F95R32-W34 PolarHBondContact O-N 3.23Å; W34-T36 VanDerWaalsContact C-N 3.35Å; W34-L37 HydrophobicContact CE3-CD1 3.76Å; W34-L37 HydrophobicContact CZ3-CD1 3.93Å; W34-L37 PolarHBondContact O-N 2.91Å; W34-L38 PolarHBondContact O-N 3.18Å; W34-I58 HydrophobicContact CB-CB 4.47Å; W34-I58 HydrophobicContact CB-CG2 3.8Å; W34-I58 WeakPolarHBondContact O-CG2 3.46Å; W34-P59 HydrophobicContact CB-CG 4.42Å; W34-P59 HydrophobicContact CD2-CB 3.82Å; W34-P59 HydrophobicContact CD2-CG 3.9Å; W34-P59 HydrophobicContact CE3-CB 3.96Å; W34-P59 HydrophobicContact CE3-CG 4.44Å; W34-P59 HydrophobicContact CG-CB 4.32Å; W34-P59 HydrophobicContact CG-CG 3.86Å; W34-P59 HydrophobicContact CH2-CB 4.3Å; W34-P59 HydrophobicContact CZ2-CB 4.17Å; W34-P59 HydrophobicContact CZ3-CB 4.2Å; W34-V62 HydrophobicContact CE3-CB 4.33Å; W34-V62 HydrophobicContact CE3-CG1 4.36Å; W34-V62 HydrophobicContact CZ3-CB 4.35Å; W34-V62 HydrophobicContact CZ3-CG1 4.12Å; W34-F95 AromaticContact CH2-CD2 3.62Å; W34-F95 HydrophobicContact CH2-CD2 3.62Å; W34-F95 AromaticContact CH2-CE2 3.8Å; W34-F95 HydrophobicContact CH2-CE2 3.8Å; W34-F95 HydrophobicContact CH2-CG 4.43Å; W34-F95 HydrophobicContact CZ3-CD2 4.08Å; W34-F95 HydrophobicContact CZ3-CE2 4.48Å; W34-F95 HydrophobicContact CZ3-CG 4.48Å
35R78.1Confident68.7Low87 Ų8774.3 Ų74.333%0.32838%0.383SS..Hα-helixtrans-72-31.2-180-166.7-178.7-111.6-167.8-2.2111.3V31 R32 E33 L38 Q39 N55 I58V31-R35 HydrophobicContact CG1-CB 3.72Å; V31-R35 HydrophobicContact CG1-CG 3.89Å; R32-R35 WeakPolarHBondContact O-CB 3.43Å; R32-R35 PolarHBondContact O-N 2.96Å; E33-R35 VanDerWaalsContact C-N 3.3Å; E33-R35 PolarHBondContact O-N 3.49Å; R35-L38 PolarHBondContact O-N 3.44Å; R35-Q39 WeakPolarHBondContact O-CG 3.47Å; R35-Q39 PolarHBondContact O-N 2.92Å; R35-N55 VanDerWaalsContact CZ-OD1 3.31Å; R35-N55 PolarHBondContact NE-OD1 2.94Å; R35-N55 PolarHBondContact NH2-OD1 2.89Å; R35-I58 HydrophobicContact CB-CD1 4.23Å; R35-I58 HydrophobicContact CG-CD1 4.3Å
36T79.6Confident69.7Low28 Ų2875.5 Ų75.517%0.17238%0.381CS..Hα-helixtrans-64.7-40.9172.4-52.30000111.4V19 E33 W34 L38 Q39 L40V19-T36 HydrophobicContact CG1-CG2 3.95Å; E33-T36 WeakPolarHBondContact O-CB 3.48Å; E33-T36 PolarHBondContact O-N 2.9Å; W34-T36 VanDerWaalsContact C-N 3.35Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.34Å; T36-Q39 PolarHBondContact O-N 2.94Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.21Å
37L84Confident71.2Confident0 Ų072.3 Ų72.30%036%0.359CS..Hα-helixtrans-60.9-44.2173.9-65.2174.9000111.4W34 L40 I41 V62 Y92 F95 L96 V99W34-L37 HydrophobicContact CE3-CD1 3.76Å; W34-L37 HydrophobicContact CZ3-CD1 3.93Å; W34-L37 PolarHBondContact O-N 2.91Å; L37-L40 PolarHBondContact O-N 2.83Å; L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.42Å; L37-I41 PolarHBondContact O-N 3.19Å; L37-V62 HydrophobicContact CB-CG1 4.2Å; L37-V62 HydrophobicContact CB-CG2 4.28Å; L37-V62 HydrophobicContact CD1-CG1 4.25Å; L37-Y92 HydrophobicContact CD1-CD2 3.78Å; L37-Y92 HydrophobicContact CD1-CE2 3.54Å; L37-Y92 HydrophobicContact CD2-CE2 4.19Å; L37-Y92 HydrophobicContact CG-CD2 4.4Å; L37-Y92 HydrophobicContact CG-CE2 3.66Å; L37-F95 HydrophobicContact CD1-CB 3.93Å; L37-L96 VanDerWaalsContact CD2-CA 3.4Å; L37-L96 HydrophobicContact CD2-CB 3.82Å; L37-L96 HydrophobicContact CD2-CD1 3.51Å; L37-L96 HydrophobicContact CD2-CG 4.29Å; L37-V99 HydrophobicContact CB-CG2 4.42Å; L37-V99 HydrophobicContact CD2-CB 4.32Å; L37-V99 HydrophobicContact CD2-CG2 4.01Å
38L82.8Confident72.8Confident0 Ų070.4 Ų70.40%035%0.345CS..Hα-helixtrans-67.1-36.2179.2-163.966.1000112.4W34 R35 T36 I41 D42 M49 I53 I58 T61 V62 I65W34-L38 PolarHBondContact O-N 3.18Å; R35-L38 PolarHBondContact O-N 3.44Å; T36-L38 VanDerWaalsContact C-N 3.34Å; T36-L38 PolarHBondContact O-N 3.34Å; L38-I41 PolarHBondContact O-N 2.85Å; L38-D42 WeakPolarHBondContact O-CB 3.38Å; L38-D42 PolarHBondContact O-N 3.48Å; L38-M49 HydrophobicContact CD1-CB 4.41Å; L38-I53 HydrophobicContact CD2-CB 4.42Å; L38-I53 HydrophobicContact CD2-CD1 4.18Å; L38-I58 HydrophobicContact CB-CG2 4.1Å; L38-I58 HydrophobicContact CD2-CG1 4.23Å; L38-I58 HydrophobicContact CD2-CG2 4.03Å; L38-T61 HydrophobicContact CD1-CG2 4.47Å; L38-V62 HydrophobicContact CB-CG2 4.15Å; L38-V62 HydrophobicContact CD1-CG2 3.98Å; L38-I65 HydrophobicContact CD1-CD1 4.39Å
39Q83.2Confident74.4Confident63 Ų6366.4 Ų66.429%0.29432%0.323SS..Hα-helixtrans-64.8-39.6172.6-75.5176.9-12.700112.7I23 R35 T36 I41 D42 L43I23-Q39 HydrophobicContact CD1-CB 3.82Å; R35-Q39 WeakPolarHBondContact O-CG 3.47Å; R35-Q39 PolarHBondContact O-N 2.92Å; T36-Q39 PolarHBondContact O-N 2.94Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; Q39-D42 WeakPolarHBondContact O-CB 3.33Å; Q39-D42 PolarHBondContact O-N 2.91Å; Q39-L43 WeakPolarHBondContact O-CG 3.39Å; Q39-L43 PolarHBondContact O-N 3.37Å
40L85.7Confident75.2Confident0 Ų057.6 Ų57.60%029%0.288CS..Hα-helixtrans-65.5-39.4173.4-72.3169.5000111.2V19 I22 I23 T36 L37 L43 C44 L96 V99 F111V19-L40 HydrophobicContact CG1-CD1 4.2Å; V19-L40 HydrophobicContact CG2-CD1 4.07Å; I22-L40 HydrophobicContact CB-CD2 4.23Å; I22-L40 HydrophobicContact CD1-CD2 4.45Å; I22-L40 HydrophobicContact CG2-CD2 3.73Å; I23-L40 HydrophobicContact CD1-CD2 3.69Å; I23-L40 HydrophobicContact CD1-CG 3.8Å; I23-L40 HydrophobicContact CG1-CD2 4.04Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.21Å; L37-L40 PolarHBondContact O-N 2.83Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.47Å; L40-C44 PolarHBondContact O-N 2.98Å; L40-C44 PolarHBondContact O-SG 2.85Å; L40-L96 HydrophobicContact CD1-CD1 3.64Å; L40-V99 HydrophobicContact CB-CG1 3.47Å; L40-V99 VanDerWaalsContact CB-CG1 3.47Å; L40-V99 HydrophobicContact CD1-CG1 4.27Å; L40-F111 HydrophobicContact CD2-CE1 4.38Å
41I85.1Confident76.4Confident0 Ų055.2 Ų55.20%028%0.279CS..Hα-helixtrans-63.1-42.7174.1-70168.5000111L37 L38 Q39 L43 C44 K45 M49 V62 I65 V99 M102L37-I41 VanDerWaalsContact O-CG1 3.28Å; L37-I41 WeakPolarHBondContact O-CG1 3.42Å; L37-I41 PolarHBondContact O-N 3.19Å; L38-I41 PolarHBondContact O-N 2.85Å; Q39-I41 VanDerWaalsContact C-N 3.34Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.28Å; I41-C44 WeakPolarHBondContact O-CA 3.34Å; I41-C44 WeakPolarHBondContact O-CB 3.27Å; I41-C44 PolarHBondContact O-N 3.32Å; I41-K45 HydrophobicContact CG2-CD 4.45Å; I41-K45 PolarHBondContact O-N 3.26Å; I41-M49 HydrophobicContact CG2-CE 4.04Å; I41-V62 HydrophobicContact CD1-CB 4.33Å; I41-V62 HydrophobicContact CD1-CG1 3.99Å; I41-V62 HydrophobicContact CD1-CG2 4.07Å; I41-I65 HydrophobicContact CD1-CG2 4.29Å; I41-I65 HydrophobicContact CG2-CD1 4.11Å; I41-I65 HydrophobicContact CG2-CG2 3.99Å; I41-V99 HydrophobicContact CD1-CG2 4.03Å; I41-V99 HydrophobicContact CG1-CG1 3.89Å; I41-V99 HydrophobicContact CG1-CG2 3.94Å; I41-M102 HydrophobicContact CB-CE 4.21Å; I41-M102 HydrophobicContact CG1-CE 3.73Å; I41-M102 HydrophobicContact CG2-CE 4.25Å
42D82.9Confident77.4Confident11 Ų1158 Ų586%0.05930%0.296CS..Hα-helixtrans-57.5-44.8174.3-87.7-12.4000111.7L38 Q39 C44 K45 D46 S47 M49 S50L38-D42 WeakPolarHBondContact O-CB 3.38Å; L38-D42 PolarHBondContact O-N 3.48Å; Q39-D42 WeakPolarHBondContact O-CB 3.33Å; Q39-D42 PolarHBondContact O-N 2.91Å; D42-C44 VanDerWaalsContact C-N 3.31Å; D42-C44 PolarHBondContact O-N 2.88Å; D42-K45 PolarHBondContact O-N 3.25Å; D42-D46 VanDerWaalsContact O-CA 3.3Å; D42-D46 WeakPolarHBondContact O-CA 3.48Å; D42-D46 PolarHBondContact O-N 3.22Å; D42-S47 WeakPolarHBondContact CA-OG 3.42Å; D42-S47 WeakPolarHBondContact CB-O 3.39Å; D42-S47 PolarHBondContact O-N 3.18Å; D42-S47 VanDerWaalsContact O-N 3.08Å; D42-S47 VanDerWaalsContact OD1-C 3.25Å; D42-S47 PolarHBondContact OD1-OG 3.44Å; D42-M49 VanDerWaalsContact CG-N 3.28Å; D42-M49 WeakPolarHBondContact OD1-CB 3.33Å; D42-M49 PolarHBondContact OD1-N 2.96Å; D42-M49 PolarHBondContact OD2-N 3.45Å; D42-S50 WeakPolarHBondContact OD2-CB 3.33Å; D42-S50 PolarHBondContact OD2-N 3.31Å; D42-S50 PolarHBondContact OD2-OG 3.21Å
43L82.8Confident78Confident60 Ų6051.7 Ų51.731%0.31427%0.274SS..Hα-helixtrans-62.4-37172.8-75.2167.4000112.5I22 I23 Q39 L40 I41 K107I22-L43 HydrophobicContact CG2-CD1 3.9Å; I23-L43 HydrophobicContact CD1-CD1 4.14Å; I23-L43 HydrophobicContact CG1-CD1 3.67Å; Q39-L43 WeakPolarHBondContact O-CG 3.39Å; Q39-L43 PolarHBondContact O-N 3.37Å; L40-L43 WeakPolarHBondContact O-CB 3.49Å; L40-L43 PolarHBondContact O-N 3.47Å; I41-L43 VanDerWaalsContact C-N 3.31Å; I41-L43 PolarHBondContact O-N 3.28Å; L43-K107 VanDerWaalsContact O-CD 3.25Å; L43-K107 WeakPolarHBondContact O-CD 3.5Å; L43-K107 WeakPolarHBondContact O-CE 3.43Å; L43-K107 PolarHBondContact O-NZ 2.85Å
44C84.6Confident78Confident6 Ų653.1 Ų53.14%0.04129%0.285CS..Hα-helixtrans-68.7-42.5178-65.70000112.7L40 I41 D42 M102 G103 L106 F111L40-C44 PolarHBondContact O-N 2.98Å; L40-C44 PolarHBondContact O-SG 2.85Å; I41-C44 WeakPolarHBondContact O-CA 3.34Å; I41-C44 WeakPolarHBondContact O-CB 3.27Å; I41-C44 PolarHBondContact O-N 3.32Å; D42-C44 VanDerWaalsContact C-N 3.31Å; D42-C44 PolarHBondContact O-N 2.88Å; C44-M102 HydrophobicContact CB-CE 3.62Å; C44-G103 WeakPolarHBondContact SG-CA 3.3Å; C44-L106 HydrophobicContact CB-CD1 4.19Å; C44-F111 WeakPolarHBondContact SG-CZ 3.48Å
45K79.7Confident77.6Confident96 Ų9653.4 Ų53.442%0.41729%0.291SS..Hα-helixtrans-96.9-2.3-174.1-72-169.7175-175.40114.7I41 D42 S47I41-K45 HydrophobicContact CG2-CD 4.45Å; I41-K45 PolarHBondContact O-N 3.26Å; D42-K45 PolarHBondContact O-N 3.25Å; K45-S47 PolarHBondContact O-N 2.87Å
46D74.4Confident77.1Confident131 Ų13157.5 Ų57.570%0.70131%0.314SS*.THydrogen-bonded Turntrans53.439-167.7-70.8-52.6000112.1D42 K107D42-D46 VanDerWaalsContact O-CA 3.3Å; D42-D46 WeakPolarHBondContact O-CA 3.48Å; D42-D46 PolarHBondContact O-N 3.22Å; D46-K107 IonicContact OD1-NZ 2.69Å; D46-K107 PolarHBondContact OD1-NZ 3.38Å; D46-K107 WeakPolarHBondContact OD2-CE 3.47Å; D46-K107 IonicContact OD2-NZ 2.7Å; D46-K107 PolarHBondContact OD2-NZ 2.89Å
47S76.9Confident77Confident38 Ų3859.8 Ų59.827%0.26633%0.325SS..  trans-104.7166.1176.759.70000111.6D42 K45D42-S47 WeakPolarHBondContact CA-OG 3.42Å; D42-S47 WeakPolarHBondContact CB-O 3.39Å; D42-S47 PolarHBondContact O-N 3.18Å; D42-S47 VanDerWaalsContact O-N 3.08Å; D42-S47 VanDerWaalsContact OD1-C 3.25Å; D42-S47 PolarHBondContact OD1-OG 3.44Å; K45-S47 PolarHBondContact O-N 2.87Å
48S75.2Confident76.6Confident78 Ų7860 Ų6055%0.54533%0.326SS..  trans-123.548.7172.660.60000110.5T51 V52S48-T51 PolarHBondContact O-OG1 3.16Å; S48-V52 WeakPolarHBondContact O-CG2 3.41Å
49M75.2Confident76.3Confident50 Ų5062 Ų6225%0.24634%0.34CS..G310 helixtrans-71.4-32.4179.5-69.1-165.8-73.300111.9L38 I41 D42 T51 V52 I53 I65L38-M49 HydrophobicContact CD1-CB 4.41Å; I41-M49 HydrophobicContact CG2-CE 4.04Å; D42-M49 VanDerWaalsContact CG-N 3.28Å; D42-M49 WeakPolarHBondContact OD1-CB 3.33Å; D42-M49 PolarHBondContact OD1-N 2.96Å; D42-M49 PolarHBondContact OD2-N 3.45Å; M49-T51 PolarHBondContact O-N 3.22Å; M49-T51 VanDerWaalsContact O-N 3.14Å; M49-V52 PolarHBondContact O-N 3.4Å; M49-I53 HydrophobicContact CB-CD1 3.86Å; M49-I53 HydrophobicContact CB-CG1 4.45Å; M49-I53 HydrophobicContact CG-CD1 4.47Å; M49-I53 WeakPolarHBondContact O-CG1 3.45Å; M49-I53 PolarHBondContact O-N 2.89Å; M49-I53 HydrophobicContact SD-CD1 4.43Å; M49-I65 HydrophobicContact CE-CD1 3.36Å; M49-I65 HydrophobicContact CE-CG1 4.45Å; M49-I65 HydrophobicContact SD-CD1 4.17Å
50S66.1Low76.1Confident24 Ų2465.4 Ų65.417%0.16836%0.355CS..G310 helixtrans-61.7-20.4178.860.70000114.2D42D42-S50 WeakPolarHBondContact OD2-CB 3.33Å; D42-S50 PolarHBondContact OD2-N 3.31Å; D42-S50 PolarHBondContact OD2-OG 3.21Å
51T67.1Low75.9Confident113 Ų11366.9 Ų66.969%0.69336%0.364SS*.G310 helixtrans-91.1-17.5174.653.20000113.9S48 M49S48-T51 PolarHBondContact O-OG1 3.16Å; M49-T51 PolarHBondContact O-N 3.22Å; M49-T51 VanDerWaalsContact O-N 3.14Å
52V71.1Confident75.8Confident112 Ų11266.9 Ų66.968%0.67936%0.364SS*.THydrogen-bonded Turntrans-106.5-31.8-169.9-178.10000112.5S48 M49S48-V52 WeakPolarHBondContact O-CG2 3.41Å; M49-V52 PolarHBondContact O-N 3.4Å
53I74.2Confident75.9Confident37 Ų3767 Ų6719%0.1936%0.364CS..SBendtrans-84.1135.6-173.3-61.4177.9000111.3L38 M49 D57 I58 T61L38-I53 HydrophobicContact CD2-CB 4.42Å; L38-I53 HydrophobicContact CD2-CD1 4.18Å; M49-I53 HydrophobicContact CB-CD1 3.86Å; M49-I53 HydrophobicContact CB-CG1 4.45Å; M49-I53 HydrophobicContact CG-CD1 4.47Å; M49-I53 WeakPolarHBondContact O-CG1 3.45Å; M49-I53 PolarHBondContact O-N 2.89Å; M49-I53 HydrophobicContact SD-CD1 4.43Å; I53-D57 HydrophobicContact CG2-CB 3.91Å; I53-I58 HydrophobicContact CG2-CG1 4.17Å; I53-T61 HydrophobicContact CD1-CG2 3.47Å; I53-T61 VanDerWaalsContact CD1-CG2 3.47Å
54N72.9Confident75.9Confident119 Ų11968 Ų6864%0.63637%0.37SS*.  trans-63.4144.5174.3-74.6-25.9000111.3E56 D57 I58N54-E56 PolarHBondContact O-N 2.85Å; N54-D57 PolarHBondContact O-N 3.49Å; N54-I58 WeakPolarHBondContact O-CG1 3.46Å
55N67.8Low75.9Confident68 Ų6868.4 Ų68.436%0.36437%0.372SS..THydrogen-bonded Turntrans-58.9-23.6-174.5-77.1-20.7000115R35R35-N55 VanDerWaalsContact CZ-OD1 3.31Å; R35-N55 PolarHBondContact NE-OD1 2.94Å; R35-N55 PolarHBondContact NH2-OD1 2.89Å
56E68.5Low76.2Confident174 Ų17463.8 Ų63.881%0.81335%0.352SS*.THydrogen-bonded Turntrans-77.7-30.9179-66.3-178.5176.800112.2N54 P59N54-E56 PolarHBondContact O-N 2.85Å; E56-P59 WeakPolarHBondContact O-CD 3.5Å
57D76.9Confident76.7Confident75 Ų7558.4 Ų58.440%0.40132%0.324SS..THydrogen-bonded Turntrans-89.6-5.8-176.3-55.7-37000113.3I53 N54 E60 T61I53-D57 HydrophobicContact CG2-CB 3.91Å; N54-D57 PolarHBondContact O-N 3.49Å; D57-E60 PolarHBondContact O-N 3.49Å; D57-T61 WeakPolarHBondContact O-CB 3.35Å; D57-T61 PolarHBondContact O-N 2.84Å; D57-T61 PolarHBondContact O-OG1 3.33Å
58I75.7Confident76.9Confident5 Ų562.6 Ų62.63%0.02634%0.344CS..Hα-helixtrans-59.2-49.6-176.5-60.7179000112.3W34 R35 L38 I53 N54 E60 T61 V62W34-I58 HydrophobicContact CB-CB 4.47Å; W34-I58 HydrophobicContact CB-CG2 3.8Å; W34-I58 WeakPolarHBondContact O-CG2 3.46Å; R35-I58 HydrophobicContact CB-CD1 4.23Å; R35-I58 HydrophobicContact CG-CD1 4.3Å; L38-I58 HydrophobicContact CB-CG2 4.1Å; L38-I58 HydrophobicContact CD2-CG1 4.23Å; L38-I58 HydrophobicContact CD2-CG2 4.03Å; I53-I58 HydrophobicContact CG2-CG1 4.17Å; N54-I58 WeakPolarHBondContact O-CG1 3.46Å; I58-E60 VanDerWaalsContact C-N 3.33Å; I58-E60 PolarHBondContact O-N 3.08Å; I58-T61 PolarHBondContact O-N 2.83Å; I58-V62 HydrophobicContact CG2-CG2 4.1Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.27Å; I58-V62 PolarHBondContact O-N 3.48Å
59P76.2Confident77.4Confident43 Ų4361.8 Ų61.828%0.27933%0.331SS..Hα-helixtrans-62.2-40.9-177-20.633.3000112.5W34 E56 V62 H63W34-P59 HydrophobicContact CB-CG 4.42Å; W34-P59 HydrophobicContact CD2-CB 3.82Å; W34-P59 HydrophobicContact CD2-CG 3.9Å; W34-P59 HydrophobicContact CE3-CB 3.96Å; W34-P59 HydrophobicContact CE3-CG 4.44Å; W34-P59 HydrophobicContact CG-CB 4.32Å; W34-P59 HydrophobicContact CG-CG 3.86Å; W34-P59 HydrophobicContact CH2-CB 4.3Å; W34-P59 HydrophobicContact CZ2-CB 4.17Å; W34-P59 HydrophobicContact CZ3-CB 4.2Å; E56-P59 WeakPolarHBondContact O-CD 3.5Å; P59-V62 PolarHBondContact O-N 2.88Å; P59-H63 WeakPolarHBondContact O-CB 3.33Å; P59-H63 PolarHBondContact O-N 3.49Å
60E79.3Confident77.7Confident133 Ų13360.5 Ų60.562%0.62132%0.323SS*.Hα-helixtrans-66.7-40.1177.9-168.8170-17700111.1D57 I58 H63 N64D57-E60 PolarHBondContact O-N 3.49Å; I58-E60 VanDerWaalsContact C-N 3.33Å; I58-E60 PolarHBondContact O-N 3.08Å; E60-H63 PolarHBondContact O-N 3.42Å; E60-N64 WeakPolarHBondContact O-CB 3.28Å; E60-N64 VanDerWaalsContact O-CG 3.26Å; E60-N64 PolarHBondContact O-N 3.34Å; E60-N64 PolarHBondContact O-ND2 3.22Å
61T82.2Confident78.5Confident31 Ų3164.5 Ų64.519%0.1935%0.352CS..Hα-helixtrans-66.2-45176.2-52.40000112.4L38 I53 D57 I58 H63 N64 I65L38-T61 HydrophobicContact CD1-CG2 4.47Å; I53-T61 HydrophobicContact CD1-CG2 3.47Å; I53-T61 VanDerWaalsContact CD1-CG2 3.47Å; D57-T61 WeakPolarHBondContact O-CB 3.35Å; D57-T61 PolarHBondContact O-N 2.84Å; D57-T61 PolarHBondContact O-OG1 3.33Å; I58-T61 PolarHBondContact O-N 2.83Å; T61-H63 VanDerWaalsContact C-N 3.29Å; T61-H63 PolarHBondContact O-N 2.88Å; T61-N64 PolarHBondContact O-N 3.22Å; T61-I65 HydrophobicContact CG2-CD1 3.67Å; T61-I65 HydrophobicContact CG2-CG1 4.4Å; T61-I65 WeakPolarHBondContact O-CB 3.35Å; T61-I65 WeakPolarHBondContact O-CD1 3.33Å; T61-I65 VanDerWaalsContact O-CG1 3.23Å; T61-I65 WeakPolarHBondContact O-CG1 3.5Å; T61-I65 PolarHBondContact O-N 3.41Å
62V82.5Confident79.1Confident0 Ų060.8 Ų60.80%033%0.329CS..Hα-helixtrans-59.8-43.3176.2170.10000110.5W34 L37 L38 I41 I58 P59 I65 L66W34-V62 HydrophobicContact CE3-CB 4.33Å; W34-V62 HydrophobicContact CE3-CG1 4.36Å; W34-V62 HydrophobicContact CZ3-CB 4.35Å; W34-V62 HydrophobicContact CZ3-CG1 4.12Å; L37-V62 HydrophobicContact CB-CG1 4.2Å; L37-V62 HydrophobicContact CB-CG2 4.28Å; L37-V62 HydrophobicContact CD1-CG1 4.25Å; L38-V62 HydrophobicContact CB-CG2 4.15Å; L38-V62 HydrophobicContact CD1-CG2 3.98Å; I41-V62 HydrophobicContact CD1-CB 4.33Å; I41-V62 HydrophobicContact CD1-CG1 3.99Å; I41-V62 HydrophobicContact CD1-CG2 4.07Å; I58-V62 HydrophobicContact CG2-CG2 4.1Å; I58-V62 VanDerWaalsContact O-CG2 3.31Å; I58-V62 WeakPolarHBondContact O-CG2 3.27Å; I58-V62 PolarHBondContact O-N 3.48Å; P59-V62 PolarHBondContact O-N 2.88Å; V62-I65 PolarHBondContact O-N 3.02Å; V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 3.22Å; V62-L66 VanDerWaalsContact O-N 3.08Å
63H83.8Confident79.4Confident13 Ų1359.7 Ų59.76%0.0632%0.319CS..Hα-helixtrans-62.1-49.7177.3-176.7-67.1000112P59 E60 T61 I65 L66 S67 F74 N75P59-H63 WeakPolarHBondContact O-CB 3.33Å; P59-H63 PolarHBondContact O-N 3.49Å; E60-H63 PolarHBondContact O-N 3.42Å; T61-H63 VanDerWaalsContact C-N 3.29Å; T61-H63 PolarHBondContact O-N 2.88Å; H63-I65 VanDerWaalsContact C-N 3.33Å; H63-I65 PolarHBondContact O-N 3.48Å; H63-L66 PolarHBondContact O-N 3.01Å; H63-S67 PolarHBondContact CE1-OG 3.25Å; H63-S67 VanDerWaalsContact CE1-OG 3.23Å; H63-S67 PolarHBondContact ND1-OG 3.32Å; H63-S67 WeakPolarHBondContact O-CB 3.46Å; H63-S67 PolarHBondContact O-N 3.42Å; H63-S67 PolarHBondContact O-OG 2.9Å; H63-F74 WeakPolarHBondContact NE2-CB 3.42Å; H63-N75 PolarHBondContact CE1-ND2 3.48Å; H63-N75 PolarHBondContact CE1-OD1 3.2Å; H63-N75 VanDerWaalsContact NE2-CG 3.34Å; H63-N75 PolarHBondContact NE2-N 2.8Å; H63-N75 PolarHBondContact NE2-OD1 3.44Å
64N83.3Confident79.7Confident82 Ų8258 Ų5844%0.43931%0.31SS..Hα-helixtrans-59.1-43.9178.7-72.7-24.5000111.6E60 T61 L66 S67 D68E60-N64 WeakPolarHBondContact O-CB 3.28Å; E60-N64 VanDerWaalsContact O-CG 3.26Å; E60-N64 PolarHBondContact O-N 3.34Å; E60-N64 PolarHBondContact O-ND2 3.22Å; T61-N64 PolarHBondContact O-N 3.22Å; N64-L66 PolarHBondContact O-N 2.86Å; N64-S67 PolarHBondContact O-N 3.38Å; N64-D68 WeakPolarHBondContact O-CB 3.5Å; N64-D68 PolarHBondContact O-N 2.88Å
65I85.9Confident79.8Confident14 Ų1455.5 Ų55.57%0.07230%0.297CS..Hα-helixtrans-62.9-43.3179.6-70.3162.3000111.9L38 I41 M49 T61 V62 H63 F69L38-I65 HydrophobicContact CD1-CD1 4.39Å; I41-I65 HydrophobicContact CD1-CG2 4.29Å; I41-I65 HydrophobicContact CG2-CD1 4.11Å; I41-I65 HydrophobicContact CG2-CG2 3.99Å; M49-I65 HydrophobicContact CE-CD1 3.36Å; M49-I65 HydrophobicContact CE-CG1 4.45Å; M49-I65 HydrophobicContact SD-CD1 4.17Å; T61-I65 HydrophobicContact CG2-CD1 3.67Å; T61-I65 HydrophobicContact CG2-CG1 4.4Å; T61-I65 WeakPolarHBondContact O-CB 3.35Å; T61-I65 WeakPolarHBondContact O-CD1 3.33Å; T61-I65 VanDerWaalsContact O-CG1 3.23Å; T61-I65 WeakPolarHBondContact O-CG1 3.5Å; T61-I65 PolarHBondContact O-N 3.41Å; V62-I65 PolarHBondContact O-N 3.02Å; H63-I65 VanDerWaalsContact C-N 3.33Å; H63-I65 PolarHBondContact O-N 3.48Å; I65-F69 VanDerWaalsContact O-CB 3.31Å; I65-F69 WeakPolarHBondContact O-CB 3.29Å; I65-F69 PolarHBondContact O-N 2.93Å
66L86Confident79.9Confident0 Ų056.6 Ų56.60%031%0.31CS..Hα-helixtrans-70.6-42.8178.9-69.9173.9000110.9V62 H63 N64 D68 F69 F70 F74 F95 L98 V99 M102V62-L66 HydrophobicContact CG1-CD1 3.96Å; V62-L66 WeakPolarHBondContact O-CG 3.5Å; V62-L66 PolarHBondContact O-N 3.22Å; V62-L66 VanDerWaalsContact O-N 3.08Å; H63-L66 PolarHBondContact O-N 3.01Å; N64-L66 PolarHBondContact O-N 2.86Å; L66-D68 VanDerWaalsContact C-N 3.31Å; L66-D68 PolarHBondContact O-N 3.02Å; L66-F69 PolarHBondContact O-N 3.06Å; L66-F70 HydrophobicContact CD2-CD2 4.45Å; L66-F70 HydrophobicContact CD2-CE2 4.08Å; L66-F70 WeakPolarHBondContact O-CD2 3.48Å; L66-F70 PolarHBondContact O-N 3.39Å; L66-F74 HydrophobicContact CB-CD2 4.12Å; L66-F74 HydrophobicContact CB-CE2 3.79Å; L66-F74 WeakPolarHBondContact O-CE2 3.3Å; L66-F95 HydrophobicContact CD1-CB 4.49Å; L66-F95 HydrophobicContact CD1-CD1 3.63Å; L66-F95 HydrophobicContact CD1-CE1 4.36Å; L66-F95 HydrophobicContact CD1-CG 4.49Å; L66-L98 HydrophobicContact CD1-CB 4.17Å; L66-L98 HydrophobicContact CD2-CB 4.2Å; L66-V99 HydrophobicContact CD1-CG2 3.95Å; L66-V99 HydrophobicContact CD2-CG2 3.93Å; L66-V99 HydrophobicContact CG-CG2 4.37Å; L66-M102 HydrophobicContact CD2-SD 4.31Å
67S84.5Confident80.1Confident17 Ų1749.4 Ų49.412%0.11928%0.277CS..Hα-helixtrans-58.9-44.1177.7-650000111.1H63 N64 S71 V72 F74H63-S67 PolarHBondContact CE1-OG 3.25Å; H63-S67 VanDerWaalsContact CE1-OG 3.23Å; H63-S67 PolarHBondContact ND1-OG 3.32Å; H63-S67 WeakPolarHBondContact O-CB 3.46Å; H63-S67 PolarHBondContact O-N 3.42Å; H63-S67 PolarHBondContact O-OG 2.9Å; N64-S67 PolarHBondContact O-N 3.38Å; S67-S71 WeakPolarHBondContact O-CA 3.47Å; S67-S71 PolarHBondContact O-N 2.9Å; S67-V72 WeakPolarHBondContact CA-O 3.32Å; S67-V72 VanDerWaalsContact CB-O 3.26Å; S67-V72 WeakPolarHBondContact CB-O 3.47Å; S67-V72 PolarHBondContact O-N 2.96Å; S67-V72 VanDerWaalsContact O-N 3.13Å; S67-V72 PolarHBondContact OG-O 3.35Å; S67-F74 WeakPolarHBondContact OG-CD2 3.31Å
68D81.4Confident79.8Confident127 Ų12746.4 Ų46.468%0.67926%0.26SS*.Hα-helixtrans-62.8-47.2173.5-77.2-8.7000111.9N64 L66 S71N64-D68 WeakPolarHBondContact O-CB 3.5Å; N64-D68 PolarHBondContact O-N 2.88Å; L66-D68 VanDerWaalsContact C-N 3.31Å; L66-D68 PolarHBondContact O-N 3.02Å; D68-S71 PolarHBondContact O-N 3.36Å
69F83.9Confident79.1Confident61 Ų6148.3 Ų48.327%0.26827%0.273SS..Hα-helixtrans-65.1-43-175.4-177.2-95.2000112.7I65 L66 M102 R105 L106I65-F69 VanDerWaalsContact O-CB 3.31Å; I65-F69 WeakPolarHBondContact O-CB 3.29Å; I65-F69 PolarHBondContact O-N 2.93Å; L66-F69 PolarHBondContact O-N 3.06Å; F69-M102 HydrophobicContact CB-SD 4.25Å; F69-M102 HydrophobicContact CD1-CB 4.1Å; F69-M102 HydrophobicContact CD1-CG 3.68Å; F69-M102 HydrophobicContact CD1-SD 4.21Å; F69-M102 HydrophobicContact CD2-CG 3.94Å; F69-M102 HydrophobicContact CD2-SD 4.07Å; F69-M102 HydrophobicContact CE1-CB 3.91Å; F69-M102 HydrophobicContact CE1-CG 3.59Å; F69-M102 HydrophobicContact CE2-CG 3.85Å; F69-M102 HydrophobicContact CG-CG 3.86Å; F69-M102 HydrophobicContact CG-SD 3.89Å; F69-M102 HydrophobicContact CZ-CB 4.36Å; F69-M102 HydrophobicContact CZ-CG 3.67Å; F69-R105 HydrophobicContact CZ-CB 4.16Å; F69-L106 HydrophobicContact CD2-CD1 4.45Å; F69-L106 HydrophobicContact CE2-CD1 3.84Å; F69-L106 HydrophobicContact CE2-CD2 3.93Å; F69-L106 HydrophobicContact CE2-CG 3.87Å; F69-L106 HydrophobicContact CZ-CD1 4.44Å; F69-L106 HydrophobicContact CZ-CD2 4.45Å; F69-L106 HydrophobicContact CZ-CG 4.16Å
70F82.8Confident78.2Confident22 Ų2251.1 Ų51.110%0.09629%0.29CS..Hα-helixtrans-90.2-6.2179.7-71-74.6000113.3L66 V72 F74 L98 M102 I139L66-F70 HydrophobicContact CD2-CD2 4.45Å; L66-F70 HydrophobicContact CD2-CE2 4.08Å; L66-F70 WeakPolarHBondContact O-CD2 3.48Å; L66-F70 PolarHBondContact O-N 3.39Å; F70-V72 HydrophobicContact CB-CG2 4.48Å; F70-V72 PolarHBondContact O-N 3.41Å; F70-F74 HydrophobicContact CB-CE2 4.29Å; F70-F74 HydrophobicContact CB-CZ 4.09Å; F70-F74 HydrophobicContact CD2-CE2 4.19Å; F70-F74 HydrophobicContact CD2-CZ 4.02Å; F70-F74 HydrophobicContact CG-CZ 4.3Å; F70-L98 HydrophobicContact CD2-CD2 4.09Å; F70-L98 HydrophobicContact CE2-CB 4.09Å; F70-L98 HydrophobicContact CE2-CD2 3.71Å; F70-L98 HydrophobicContact CE2-CG 4.49Å; F70-L98 HydrophobicContact CZ-CD2 3.94Å; F70-M102 HydrophobicContact CE2-CB 4.47Å; F70-M102 HydrophobicContact CZ-CB 4.48Å; F70-I139 HydrophobicContact CB-CD1 3.86Å; F70-I139 HydrophobicContact CD1-CD1 3.28Å; F70-I139 HydrophobicContact CD2-CD1 4.44Å; F70-I139 HydrophobicContact CE1-CD1 3.84Å; F70-I139 HydrophobicContact CG-CD1 3.61Å
71S82Confident76.7Confident109 Ų10950.6 Ų50.676%0.76229%0.291SS*.THydrogen-bonded Turntrans54.340.2-174.3-58.70000112.7S67 D68S67-S71 WeakPolarHBondContact O-CA 3.47Å; S67-S71 PolarHBondContact O-N 2.9Å; D68-S71 PolarHBondContact O-N 3.36Å
72V80.1Confident75.1Confident35 Ų3554.3 Ų54.321%0.21233%0.325CS..  trans-131.5130.3-178.2173.70000109.2S67 F70 F74 I77 I139S67-V72 WeakPolarHBondContact CA-O 3.32Å; S67-V72 VanDerWaalsContact CB-O 3.26Å; S67-V72 WeakPolarHBondContact CB-O 3.47Å; S67-V72 PolarHBondContact O-N 2.96Å; S67-V72 VanDerWaalsContact O-N 3.13Å; S67-V72 PolarHBondContact OG-O 3.35Å; F70-V72 HydrophobicContact CB-CG2 4.48Å; F70-V72 PolarHBondContact O-N 3.41Å; V72-F74 HydrophobicContact CB-CZ 4.39Å; V72-F74 HydrophobicContact CG1-CD1 4.35Å; V72-F74 HydrophobicContact CG1-CE1 4.24Å; V72-F74 PolarHBondContact O-N 2.85Å; V72-F74 VanDerWaalsContact O-N 3.1Å; V72-I77 HydrophobicContact CG1-CD1 3.58Å; V72-I139 HydrophobicContact CG2-CB 4.47Å
73D77.9Confident73.5Confident89 Ų8961.7 Ų61.748%0.47636%0.364SS..  trans-75.298.7171.217815000110.2N75 S76D73-N75 PolarHBondContact O-N 3.43Å; D73-N75 VanDerWaalsContact OD1-CB 3.28Å; D73-N75 WeakPolarHBondContact OD1-CB 3.43Å; D73-N75 PolarHBondContact OD1-N 3.32Å; D73-S76 WeakPolarHBondContact O-CB 3.35Å; D73-S76 PolarHBondContact O-N 2.9Å; D73-S76 PolarHBondContact O-OG 2.94Å
74F80.2Confident71.7Confident0 Ų063.9 Ų63.90%038%0.376CS..Hα-helixtrans-66.8-13.1179.3-72.3-64.7000113.6H63 L66 S67 F70 V72 S76 I77 F78 F95 L98 I139H63-F74 WeakPolarHBondContact NE2-CB 3.42Å; L66-F74 HydrophobicContact CB-CD2 4.12Å; L66-F74 HydrophobicContact CB-CE2 3.79Å; L66-F74 WeakPolarHBondContact O-CE2 3.3Å; S67-F74 WeakPolarHBondContact OG-CD2 3.31Å; F70-F74 HydrophobicContact CB-CE2 4.29Å; F70-F74 HydrophobicContact CB-CZ 4.09Å; F70-F74 HydrophobicContact CD2-CE2 4.19Å; F70-F74 HydrophobicContact CD2-CZ 4.02Å; F70-F74 HydrophobicContact CG-CZ 4.3Å; V72-F74 HydrophobicContact CB-CZ 4.39Å; V72-F74 HydrophobicContact CG1-CD1 4.35Å; V72-F74 HydrophobicContact CG1-CE1 4.24Å; V72-F74 PolarHBondContact O-N 2.85Å; V72-F74 VanDerWaalsContact O-N 3.1Å; F74-S76 VanDerWaalsContact C-N 3.28Å; F74-I77 HydrophobicContact CD1-CD1 4.13Å; F74-I77 HydrophobicContact CE1-CD1 4.38Å; F74-I77 PolarHBondContact O-N 3.19Å; F74-F78 HydrophobicContact CB-CD2 4.47Å; F74-F78 HydrophobicContact CD1-CD2 4.45Å; F74-F78 HydrophobicContact CD1-CE2 4.26Å; F74-F78 PolarHBondContact O-N 3.5Å; F74-F95 HydrophobicContact CB-CE1 4.32Å; F74-F95 HydrophobicContact CG-CE1 4.38Å; F74-L98 HydrophobicContact CD1-CD1 4.17Å; F74-L98 HydrophobicContact CE1-CD1 3.53Å; F74-L98 HydrophobicContact CE1-CD2 4.29Å; F74-L98 HydrophobicContact CE2-CD1 4.2Å; F74-L98 HydrophobicContact CZ-CD1 3.56Å; F74-L98 HydrophobicContact CZ-CD2 3.98Å; F74-L98 HydrophobicContact CZ-CG 4.41Å; F74-I139 HydrophobicContact CE1-CG2 4.19Å
75N74.7Confident69.8Low68 Ų6867.3 Ų67.336%0.36440%0.395SS..Hα-helixtrans-69.5-27.8171.1-68.9-38.3000112.2H63 D73 I77 F78 P79H63-N75 PolarHBondContact CE1-ND2 3.48Å; H63-N75 PolarHBondContact CE1-OD1 3.2Å; H63-N75 VanDerWaalsContact NE2-CG 3.34Å; H63-N75 PolarHBondContact NE2-N 2.8Å; H63-N75 PolarHBondContact NE2-OD1 3.44Å; D73-N75 PolarHBondContact O-N 3.43Å; D73-N75 VanDerWaalsContact OD1-CB 3.28Å; D73-N75 WeakPolarHBondContact OD1-CB 3.43Å; D73-N75 PolarHBondContact OD1-N 3.32Å; N75-I77 VanDerWaalsContact C-N 3.3Å; N75-F78 CarbonylContact O-C 3.55Å; N75-P79 WeakPolarHBondContact O-CA 3.33Å
76S71.2Confident68.3Low90 Ų9072.8 Ų72.863%0.62942%0.415SS*.Hα-helixtrans-69.6-28.917473.20000112.8D73 F74D73-S76 WeakPolarHBondContact O-CB 3.35Å; D73-S76 PolarHBondContact O-N 2.9Å; D73-S76 PolarHBondContact O-OG 2.94Å; F74-S76 VanDerWaalsContact C-N 3.28Å
77I71.7Confident66.9Low23 Ų2374.2 Ų74.212%0.11843%0.429CS..Hα-helixtrans-91.5-42.3-177.9-58.4177.8000111V72 F74 N75 P79 I139 M141V72-I77 HydrophobicContact CG1-CD1 3.58Å; F74-I77 HydrophobicContact CD1-CD1 4.13Å; F74-I77 HydrophobicContact CE1-CD1 4.38Å; F74-I77 PolarHBondContact O-N 3.19Å; N75-I77 VanDerWaalsContact C-N 3.3Å; I77-P79 WeakPolarHBondContact O-CD 3.47Å; I77-I139 WeakPolarHBondContact CD1-O 3.36Å; I77-M141 HydrophobicContact CG2-CG 3.96Å; I77-M141 HydrophobicContact CG2-SD 3.55Å; I77-M141 VanDerWaalsContact CG2-SD 3.55Å
78F71.4Confident66Low13 Ų1378.7 Ų78.76%0.05746%0.458CS..SBendtrans-118.481.4177.2-54.9-75000110.2F74 N75 R91 C94 F95 M141 F144F74-F78 HydrophobicContact CB-CD2 4.47Å; F74-F78 HydrophobicContact CD1-CD2 4.45Å; F74-F78 HydrophobicContact CD1-CE2 4.26Å; F74-F78 PolarHBondContact O-N 3.5Å; N75-F78 CarbonylContact O-C 3.55Å; F78-R91 HydrophobicContact CD1-CG 4.18Å; F78-R91 HydrophobicContact CG-CG 4.33Å; F78-R91 PolarHBondContact O-NH2 3.1Å; F78-C94 HydrophobicContact CE1-CB 4.14Å; F78-C94 HydrophobicContact CE2-CB 4.4Å; F78-C94 HydrophobicContact CZ-CB 3.59Å; F78-F95 HydrophobicContact CD2-CZ 4.07Å; F78-M141 HydrophobicContact CD1-SD 4.48Å; F78-M141 HydrophobicContact CE1-SD 3.95Å; F78-M141 HydrophobicContact CZ-SD 4.35Å; F78-F144 HydrophobicContact CZ-CD2 4.44Å; F78-F144 HydrophobicContact CZ-CE2 4.22Å
79P60.7Low65.5Low44 Ų4476.2 Ų76.229%0.28645%0.448SS..  trans-60.5139.9-179.922.4-30.8000111.7N75 I77 N81N75-P79 WeakPolarHBondContact O-CA 3.33Å; I77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-N81 PolarHBondContact O-N 3.4Å
80T56.4Low65.3Low103 Ų10373.8 Ų73.863%0.63244%0.436SS*.  trans-79.46-179.830.30000114.5A82T80-A82 PolarHBondContact O-N 2.88Å
81N48.6Very low65Low121 Ų12175.9 Ų75.965%0.64744%0.444SS*.  trans-59.5126.9-176.7-73.4-16.9000111P79 D83 D84P79-N81 PolarHBondContact O-N 3.4Å; N81-D83 PolarHBondContact O-N 3.42Å; N81-D84 PolarHBondContact O-N 3.16Å
82A48Very low65Low109 Ų10971.5 Ų71.590%0.90141%0.411SS*.THydrogen-bonded Turntrans-57.1-15.9-178.400000114.5T80T80-A82 PolarHBondContact O-N 2.88Å
83D48.2Very low65.3Low155 Ų15570 Ų7083%0.82940%0.401SS*.THydrogen-bonded Turntrans-93-0.2179.1-78.4-29.5000114.6N81 N85N81-D83 PolarHBondContact O-N 3.42Å; D83-N85 PolarHBondContact O-N 3.15Å
84D46.3Very low65.7Low60 Ų6065.8 Ų65.832%0.32138%0.379SS..  trans-8192.7178.4-139.72.5000109.7N81 R86N81-D84 PolarHBondContact O-N 3.16Å; D84-R86 PolarHBondContact O-N 3.23Å; D84-R86 WeakPolarHBondContact OD1-CG 3.42Å; D84-R86 IonicContact OD1-NE 3.62Å; D84-R86 PolarHBondContact OD1-NE 2.95Å; D84-R86 WeakPolarHBondContact OD2-CD 3.29Å; D84-R86 IonicContact OD2-CZ 3.24Å; D84-R86 IonicContact OD2-NE 2.72Å; D84-R86 PolarHBondContact OD2-NE 3.18Å; D84-R86 VanDerWaalsContact OD2-NE 3.17Å
85N45.1Very low66.1Low154 Ų15465.8 Ų65.882%0.82438%0.379SS*.  trans-59.410170.5-84.1-22.1000114.1D83 G87D83-N85 PolarHBondContact O-N 3.15Å; N85-G87 PolarHBondContact O-N 3.44Å; N85-G87 VanDerWaalsContact O-N 3.12Å
86R52.5Low66.7Low129 Ų12962.8 Ų62.849%0.48736%0.362SS..SBendtrans-66.3110.5171.6-66.3-179.3-161.1-157.6-0.4107.9D84D84-R86 PolarHBondContact O-N 3.23Å; D84-R86 WeakPolarHBondContact OD1-CG 3.42Å; D84-R86 IonicContact OD1-NE 3.62Å; D84-R86 PolarHBondContact OD1-NE 2.95Å; D84-R86 WeakPolarHBondContact OD2-CD 3.29Å; D84-R86 IonicContact OD2-CZ 3.24Å; D84-R86 IonicContact OD2-NE 2.72Å; D84-R86 PolarHBondContact OD2-NE 3.18Å; D84-R86 VanDerWaalsContact OD2-NE 3.17Å
87G58.1Low67.6Low30 Ų3058.5 Ų58.531%0.30933%0.333SS..  trans-47.3128.4-167.300000112.7N85 T89 Y90N85-G87 PolarHBondContact O-N 3.44Å; N85-G87 VanDerWaalsContact O-N 3.12Å; G87-T89 PolarHBondContact O-N 3.32Å; G87-Y90 PolarHBondContact O-N 2.87Å
88P64.9Low68.4Low111 Ų11157.4 Ų57.472%0.72133%0.327SS*.Hα-helixtrans-51.9-28.2177.815.7-28.1000112.5Y92P88-Y92 PolarHBondContact O-N 3.4Å; P88-Y92 VanDerWaalsContact O-N 3.08Å
89T71.5Confident69.3Low75 Ų7556.8 Ų56.846%0.4632%0.324SS..Hα-helixtrans-59.8-48.7173.2-41.90000113.7G87 R91 Y92 Y93G87-T89 PolarHBondContact O-N 3.32Å; T89-R91 VanDerWaalsContact C-N 3.33Å; T89-R91 PolarHBondContact O-N 2.91Å; T89-Y92 PolarHBondContact O-N 2.87Å; T89-Y93 HydrophobicContact CG2-CD2 3.97Å; T89-Y93 HydrophobicContact CG2-CE2 3.62Å; T89-Y93 WeakPolarHBondContact O-CD2 3.3Å; T89-Y93 PolarHBondContact O-N 3.28Å; T89-Y93 VanDerWaalsContact O-N 3.13Å
90Y78.7Confident70.6Confident9 Ų954.7 Ų54.74%0.03531%0.311CS..Hα-helixtrans-63.7-42.6-178.7-178-90.9000111.2M5 V7 G87 Y92 Y93 C94 M141 F144 L147 S148M5-Y90 HydrophobicContact CB-CD1 4.3Å; M5-Y90 HydrophobicContact CB-CD2 3.86Å; M5-Y90 HydrophobicContact CB-CE1 4.45Å; M5-Y90 HydrophobicContact CB-CE2 4.09Å; M5-Y90 HydrophobicContact CB-CG 4.02Å; M5-Y90 HydrophobicContact CE-CE1 4.43Å; M5-Y90 WeakPolarHBondContact O-CB 3.36Å; M5-Y90 WeakPolarHBondContact O-CD2 3.49Å; M5-Y90 HydrophobicContact SD-CE1 4.01Å; V7-Y90 HydrophobicContact CG2-CD2 3.51Å; V7-Y90 HydrophobicContact CG2-CE2 4.43Å; V7-Y90 HydrophobicContact CG2-CG 4.11Å; G87-Y90 PolarHBondContact O-N 2.87Å; Y90-Y92 VanDerWaalsContact C-N 3.33Å; Y90-Y92 PolarHBondContact O-N 3.47Å; Y90-Y93 PolarHBondContact O-N 3.29Å; Y90-C94 WeakPolarHBondContact CE1-SG 3.45Å; Y90-C94 PolarHBondContact O-N 3.16Å; Y90-C94 PolarHBondContact O-SG 3.13Å; Y90-M141 HydrophobicContact CE1-CE 3.97Å; Y90-F144 WeakPolarHBondContact OH-CB 3.46Å; Y90-F144 PolarHBondContact OH-O 2.88Å; Y90-F144 VanDerWaalsContact OH-O 3.06Å; Y90-L147 HydrophobicContact CE2-CB 4.04Å; Y90-S148 VanDerWaalsContact CE2-OG 3.27Å; Y90-S148 WeakPolarHBondContact CE2-OG 3.45Å
91R77.9Confident72Confident67 Ų6749.8 Ų49.825%0.25328%0.281SS..Hα-helixtrans-59.3-44.3175.9-173.4176.5-173.6-172.50.4111.5F78 T89 C94 F95F78-R91 HydrophobicContact CD1-CG 4.18Å; F78-R91 HydrophobicContact CG-CG 4.33Å; F78-R91 PolarHBondContact O-NH2 3.1Å; T89-R91 VanDerWaalsContact C-N 3.33Å; T89-R91 PolarHBondContact O-N 2.91Å; R91-C94 PolarHBondContact O-N 3.49Å; R91-F95 HydrophobicContact CG-CD2 3.9Å; R91-F95 HydrophobicContact CG-CE2 3.53Å; R91-F95 WeakPolarHBondContact O-CD2 3.4Å; R91-F95 PolarHBondContact O-N 2.59Å; R91-F95 VanDerWaalsContact O-N 3.1Å
92Y81.4Confident73.8Confident17 Ų1744 Ų447%0.06725%0.25CC..Hα-helixtrans-59.8-46.7176.7173.8-105000112.7E33 L37 P88 T89 Y90 C94 F95 L96E33-Y92 VanDerWaalsContact C-CE2 3.48Å; E33-Y92 HydrophobicContact CB-CD2 3.82Å; E33-Y92 HydrophobicContact CB-CE1 4.21Å; E33-Y92 HydrophobicContact CB-CE2 3.46Å; E33-Y92 VanDerWaalsContact CB-CE2 3.46Å; E33-Y92 HydrophobicContact CB-CG 4.34Å; E33-Y92 HydrophobicContact CG-CE1 4.19Å; E33-Y92 HydrophobicContact CG-CE2 4.33Å; E33-Y92 VanDerWaalsContact O-CE2 3.28Å; E33-Y92 WeakPolarHBondContact O-CE2 3.26Å; E33-Y92 PolarHBondContact O-OH 2.97Å; L37-Y92 HydrophobicContact CD1-CD2 3.78Å; L37-Y92 HydrophobicContact CD1-CE2 3.54Å; L37-Y92 HydrophobicContact CD2-CE2 4.19Å; L37-Y92 HydrophobicContact CG-CD2 4.4Å; L37-Y92 HydrophobicContact CG-CE2 3.66Å; P88-Y92 PolarHBondContact O-N 3.4Å; P88-Y92 VanDerWaalsContact O-N 3.08Å; T89-Y92 PolarHBondContact O-N 2.87Å; Y90-Y92 VanDerWaalsContact C-N 3.33Å; Y90-Y92 PolarHBondContact O-N 3.47Å; Y92-C94 VanDerWaalsContact C-N 3.33Å; Y92-C94 PolarHBondContact O-N 3.27Å; Y92-F95 PolarHBondContact O-N 2.83Å; Y92-L96 HydrophobicContact CE1-CD2 4.5Å; Y92-L96 PolarHBondContact O-N 2.89Å
93Y86.1Confident75.5Confident3 Ų338.9 Ų38.91%0.01221%0.207CC..Hα-helixtrans-69.2-29179.6-73.9-71.1000113.5V7 V12 L15 R16 T89 Y90 L96 L97V7-Y93 HydrophobicContact CG1-CD2 4.48Å; V7-Y93 HydrophobicContact CG2-CD2 4.06Å; V12-Y93 HydrophobicContact CB-CE1 4.38Å; V12-Y93 HydrophobicContact CG1-CE1 3.79Å; V12-Y93 HydrophobicContact CG1-CE2 4.03Å; V12-Y93 VanDerWaalsContact CG1-CZ 3.45Å; V12-Y93 WeakPolarHBondContact CG1-OH 3.16Å; V12-Y93 HydrophobicContact CG2-CD1 4.41Å; V12-Y93 HydrophobicContact CG2-CD2 4.02Å; V12-Y93 HydrophobicContact CG2-CE1 4.26Å; V12-Y93 HydrophobicContact CG2-CE2 3.88Å; V12-Y93 HydrophobicContact CG2-CG 4.32Å; L15-Y93 HydrophobicContact CD1-CD1 3.92Å; R16-Y93 PolarHBondContact NE-OH 3.39Å; R16-Y93 PolarHBondContact NH1-OH 3.16Å; R16-Y93 PolarHBondContact NH2-OH 3.46Å; T89-Y93 HydrophobicContact CG2-CD2 3.97Å; T89-Y93 HydrophobicContact CG2-CE2 3.62Å; T89-Y93 WeakPolarHBondContact O-CD2 3.3Å; T89-Y93 PolarHBondContact O-N 3.28Å; T89-Y93 VanDerWaalsContact O-N 3.13Å; Y90-Y93 PolarHBondContact O-N 3.29Å; Y93-L96 HydrophobicContact CD1-CD2 3.94Å; Y93-L96 HydrophobicContact CE1-CD2 4.12Å; Y93-L96 PolarHBondContact O-N 3.37Å; Y93-L97 WeakPolarHBondContact O-CB 3.04Å; Y93-L97 PolarHBondContact O-N 3.48Å
94C86.6Confident77.2Confident0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-63.1-47169.5-65.60000111.1F78 Y90 R91 Y92 L96 L97 L98 F144F78-C94 HydrophobicContact CE1-CB 4.14Å; F78-C94 HydrophobicContact CE2-CB 4.4Å; F78-C94 HydrophobicContact CZ-CB 3.59Å; Y90-C94 WeakPolarHBondContact CE1-SG 3.45Å; Y90-C94 PolarHBondContact O-N 3.16Å; Y90-C94 PolarHBondContact O-SG 3.13Å; R91-C94 PolarHBondContact O-N 3.49Å; Y92-C94 VanDerWaalsContact C-N 3.33Å; Y92-C94 PolarHBondContact O-N 3.27Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.32Å; C94-L97 PolarHBondContact O-N 3.43Å; C94-L98 WeakPolarHBondContact O-CG 3.44Å; C94-L98 PolarHBondContact O-N 3.45Å; C94-F144 HydrophobicContact CB-CD1 3.83Å; C94-F144 HydrophobicContact CB-CE1 3.88Å; C94-F144 HydrophobicContact CB-CG 4.32Å; C94-F144 HydrophobicContact CB-CZ 4.41Å
95F87.5Confident78.9Confident1 Ų133.9 Ų33.90%0.00417%0.173CC..Hα-helixtrans-64.1-37.2175-74-59.4000112.4W34 L37 L66 F74 F78 R91 Y92 L97 L98 V99W34-F95 AromaticContact CH2-CD2 3.62Å; W34-F95 HydrophobicContact CH2-CD2 3.62Å; W34-F95 AromaticContact CH2-CE2 3.8Å; W34-F95 HydrophobicContact CH2-CE2 3.8Å; W34-F95 HydrophobicContact CH2-CG 4.43Å; W34-F95 HydrophobicContact CZ3-CD2 4.08Å; W34-F95 HydrophobicContact CZ3-CE2 4.48Å; W34-F95 HydrophobicContact CZ3-CG 4.48Å; L37-F95 HydrophobicContact CD1-CB 3.93Å; L66-F95 HydrophobicContact CD1-CB 4.49Å; L66-F95 HydrophobicContact CD1-CD1 3.63Å; L66-F95 HydrophobicContact CD1-CE1 4.36Å; L66-F95 HydrophobicContact CD1-CG 4.49Å; F74-F95 HydrophobicContact CB-CE1 4.32Å; F74-F95 HydrophobicContact CG-CE1 4.38Å; F78-F95 HydrophobicContact CD2-CZ 4.07Å; R91-F95 HydrophobicContact CG-CD2 3.9Å; R91-F95 HydrophobicContact CG-CE2 3.53Å; R91-F95 WeakPolarHBondContact O-CD2 3.4Å; R91-F95 PolarHBondContact O-N 2.59Å; R91-F95 VanDerWaalsContact O-N 3.1Å; Y92-F95 PolarHBondContact O-N 2.83Å; F95-L97 PolarHBondContact O-N 3.47Å; F95-L98 HydrophobicContact CD1-CD1 4.09Å; F95-L98 WeakPolarHBondContact O-CB 3.48Å; F95-L98 PolarHBondContact O-N 2.8Å; F95-V99 WeakPolarHBondContact O-CG2 3.17Å; F95-V99 PolarHBondContact O-N 3.01Å
96L88.7Confident80.7Confident4 Ų430.5 Ų30.52%0.02116%0.155CC..Hα-helixtrans-61.2-45174.3-175.561.2000111.9L15 V19 L37 L40 Y92 Y93 C94 L98 V99 L100L15-L96 HydrophobicContact CB-CD2 4.1Å; V19-L96 HydrophobicContact CG2-CD1 3.78Å; V19-L96 HydrophobicContact CG2-CD2 4.12Å; V19-L96 HydrophobicContact CG2-CG 4.33Å; L37-L96 VanDerWaalsContact CD2-CA 3.4Å; L37-L96 HydrophobicContact CD2-CB 3.82Å; L37-L96 HydrophobicContact CD2-CD1 3.51Å; L37-L96 HydrophobicContact CD2-CG 4.29Å; L40-L96 HydrophobicContact CD1-CD1 3.64Å; Y92-L96 HydrophobicContact CE1-CD2 4.5Å; Y92-L96 PolarHBondContact O-N 2.89Å; Y93-L96 HydrophobicContact CD1-CD2 3.94Å; Y93-L96 HydrophobicContact CE1-CD2 4.12Å; Y93-L96 PolarHBondContact O-N 3.37Å; C94-L96 VanDerWaalsContact C-N 3.32Å; C94-L96 PolarHBondContact O-N 3.32Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.41Å; L96-V99 PolarHBondContact O-N 2.84Å; L96-L100 HydrophobicContact CD1-CD1 4.27Å; L96-L100 HydrophobicContact CD1-CG 4.41Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.28Å
97L88.8Confident82.1Confident1 Ų126.8 Ų26.81%0.00514%0.142CC..Hα-helixtrans-63.7-38176.9-169.968000111.7L15 Y93 C94 F95 L100 T101 M129 T130 L133 F144 L147L15-L97 HydrophobicContact CD2-CD1 3.96Å; Y93-L97 WeakPolarHBondContact O-CB 3.04Å; Y93-L97 PolarHBondContact O-N 3.48Å; C94-L97 PolarHBondContact O-N 3.43Å; F95-L97 PolarHBondContact O-N 3.47Å; L97-L100 PolarHBondContact O-N 3.18Å; L97-T101 WeakPolarHBondContact O-CB 3.42Å; L97-T101 VanDerWaalsContact O-CG2 3.27Å; L97-T101 WeakPolarHBondContact O-CG2 3.48Å; L97-T101 PolarHBondContact O-N 2.75Å; L97-T101 PolarHBondContact O-OG1 3.47Å; L97-M129 HydrophobicContact CD1-CB 3.84Å; L97-M129 HydrophobicContact CD2-CB 4.21Å; L97-T130 HydrophobicContact CD1-CG2 3.88Å; L97-L133 HydrophobicContact CB-CD1 4.49Å; L97-L133 HydrophobicContact CD2-CD1 3.64Å; L97-L133 HydrophobicContact CG-CD1 3.65Å; L97-F144 HydrophobicContact CD2-CD1 4.1Å; L97-F144 HydrophobicContact CD2-CE1 4.4Å; L97-L147 HydrophobicContact CD2-CD1 4.24Å; L97-L147 HydrophobicContact CD2-CD2 4.44Å; L97-L147 HydrophobicContact CD2-CG 4.33Å
98L89.9Confident83.2Confident0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-63.9-42.2173.4-74.2169.7000112.6L66 F70 F74 C94 F95 L96 T101 M102 L133 I139 F144L66-L98 HydrophobicContact CD1-CB 4.17Å; L66-L98 HydrophobicContact CD2-CB 4.2Å; F70-L98 HydrophobicContact CD2-CD2 4.09Å; F70-L98 HydrophobicContact CE2-CB 4.09Å; F70-L98 HydrophobicContact CE2-CD2 3.71Å; F70-L98 HydrophobicContact CE2-CG 4.49Å; F70-L98 HydrophobicContact CZ-CD2 3.94Å; F74-L98 HydrophobicContact CD1-CD1 4.17Å; F74-L98 HydrophobicContact CE1-CD1 3.53Å; F74-L98 HydrophobicContact CE1-CD2 4.29Å; F74-L98 HydrophobicContact CE2-CD1 4.2Å; F74-L98 HydrophobicContact CZ-CD1 3.56Å; F74-L98 HydrophobicContact CZ-CD2 3.98Å; F74-L98 HydrophobicContact CZ-CG 4.41Å; C94-L98 WeakPolarHBondContact O-CG 3.44Å; C94-L98 PolarHBondContact O-N 3.45Å; F95-L98 HydrophobicContact CD1-CD1 4.09Å; F95-L98 WeakPolarHBondContact O-CB 3.48Å; F95-L98 PolarHBondContact O-N 2.8Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.41Å; L98-T101 VanDerWaalsContact CA-OG1 3.29Å; L98-T101 WeakPolarHBondContact CA-OG1 3.47Å; L98-T101 PolarHBondContact O-N 3.17Å; L98-T101 PolarHBondContact O-OG1 3.19Å; L98-M102 WeakPolarHBondContact O-CB 3.38Å; L98-M102 PolarHBondContact O-N 2.72Å; L98-L133 HydrophobicContact CD2-CD1 4.45Å; L98-L133 HydrophobicContact CD2-CD2 4.1Å; L98-I139 HydrophobicContact CD2-CD1 4.17Å; L98-F144 HydrophobicContact CD1-CE1 4.41Å; L98-F144 HydrophobicContact CD1-CZ 3.93Å; L98-F144 HydrophobicContact CD2-CE1 4.34Å; L98-F144 HydrophobicContact CD2-CZ 3.93Å; L98-F144 HydrophobicContact CG-CE1 3.99Å; L98-F144 HydrophobicContact CG-CZ 3.84Å
99V88.6Confident83.8Confident0 Ų032.2 Ų32.20%016%0.155CC..Hα-helixtrans-67.6-41.8176.7174.40000111.2L37 L40 I41 L66 F95 L96 T101 M102 G103L37-V99 HydrophobicContact CB-CG2 4.42Å; L37-V99 HydrophobicContact CD2-CB 4.32Å; L37-V99 HydrophobicContact CD2-CG2 4.01Å; L40-V99 HydrophobicContact CB-CG1 3.47Å; L40-V99 VanDerWaalsContact CB-CG1 3.47Å; L40-V99 HydrophobicContact CD1-CG1 4.27Å; I41-V99 HydrophobicContact CD1-CG2 4.03Å; I41-V99 HydrophobicContact CG1-CG1 3.89Å; I41-V99 HydrophobicContact CG1-CG2 3.94Å; L66-V99 HydrophobicContact CD1-CG2 3.95Å; L66-V99 HydrophobicContact CD2-CG2 3.93Å; L66-V99 HydrophobicContact CG-CG2 4.37Å; F95-V99 WeakPolarHBondContact O-CG2 3.17Å; F95-V99 PolarHBondContact O-N 3.01Å; L96-V99 PolarHBondContact O-N 2.84Å; V99-T101 VanDerWaalsContact C-N 3.35Å; V99-T101 PolarHBondContact O-N 3.41Å; V99-M102 WeakPolarHBondContact O-CB 3.47Å; V99-M102 PolarHBondContact O-N 3.19Å; V99-G103 PolarHBondContact O-N 3.2Å
100L88.7Confident84.1Confident0 Ų032.2 Ų32.20%015%0.151CC..Hα-helixtrans-65-38.4177.5-71165.8000111.9L15 W18 V19 I22 L96 L97 G103 L104 F111L15-L100 HydrophobicContact CD2-CD1 3.84Å; W18-L100 HydrophobicContact CD2-CD1 4.38Å; W18-L100 HydrophobicContact CD2-CD2 4.18Å; W18-L100 HydrophobicContact CE3-CB 4.36Å; W18-L100 HydrophobicContact CE3-CD1 3.66Å; W18-L100 HydrophobicContact CE3-CD2 4.18Å; W18-L100 HydrophobicContact CE3-CG 4.29Å; W18-L100 HydrophobicContact CH2-CB 3.91Å; W18-L100 HydrophobicContact CZ3-CB 3.76Å; W18-L100 HydrophobicContact CZ3-CD1 3.83Å; W18-L100 HydrophobicContact CZ3-CD2 4.35Å; W18-L100 HydrophobicContact CZ3-CG 4.2Å; V19-L100 HydrophobicContact CG2-CD1 4.3Å; V19-L100 HydrophobicContact CG2-CD2 4.19Å; I22-L100 HydrophobicContact CD1-CD2 3.7Å; L96-L100 HydrophobicContact CD1-CD1 4.27Å; L96-L100 HydrophobicContact CD1-CG 4.41Å; L96-L100 HydrophobicContact CG-CD1 3.91Å; L96-L100 HydrophobicContact CG-CG 4.49Å; L96-L100 WeakPolarHBondContact O-CB 3.44Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.3Å; L96-L100 PolarHBondContact O-N 3.28Å; L97-L100 PolarHBondContact O-N 3.18Å; L100-G103 CarbonylContact O-C 3.58Å; L100-G103 PolarHBondContact O-N 2.82Å; L100-L104 PolarHBondContact O-N 3.12Å; L100-F111 HydrophobicContact CD2-CD1 4.02Å; L100-F111 HydrophobicContact CD2-CE1 4Å
101T85Confident84.4Confident0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-71.3-37.5175.348.20000112.3L97 L98 V99 G103 L104 R105 T130 L133L97-T101 WeakPolarHBondContact O-CB 3.42Å; L97-T101 VanDerWaalsContact O-CG2 3.27Å; L97-T101 WeakPolarHBondContact O-CG2 3.48Å; L97-T101 PolarHBondContact O-N 2.75Å; L97-T101 PolarHBondContact O-OG1 3.47Å; L98-T101 VanDerWaalsContact CA-OG1 3.29Å; L98-T101 WeakPolarHBondContact CA-OG1 3.47Å; L98-T101 PolarHBondContact O-N 3.17Å; L98-T101 PolarHBondContact O-OG1 3.19Å; V99-T101 VanDerWaalsContact C-N 3.35Å; V99-T101 PolarHBondContact O-N 3.41Å; T101-G103 VanDerWaalsContact C-N 3.28Å; T101-G103 PolarHBondContact O-N 2.99Å; T101-L104 PolarHBondContact O-N 3.16Å; T101-R105 WeakPolarHBondContact O-CG 3.44Å; T101-R105 PolarHBondContact O-N 3.15Å; T101-T130 HydrophobicContact CG2-CG2 3.68Å; T101-L133 HydrophobicContact CG2-CB 3.82Å; T101-L133 HydrophobicContact CG2-CD1 3.95Å
102M86.6Confident84.7Confident0 Ų031.8 Ų31.80%015%0.153CC..Hα-helixtrans-57.5-43.2167-176-174.573.500110.9I41 C44 L66 F69 F70 L98 V99 R105 L106I41-M102 HydrophobicContact CB-CE 4.21Å; I41-M102 HydrophobicContact CG1-CE 3.73Å; I41-M102 HydrophobicContact CG2-CE 4.25Å; C44-M102 HydrophobicContact CB-CE 3.62Å; L66-M102 HydrophobicContact CD2-SD 4.31Å; F69-M102 HydrophobicContact CB-SD 4.25Å; F69-M102 HydrophobicContact CD1-CB 4.1Å; F69-M102 HydrophobicContact CD1-CG 3.68Å; F69-M102 HydrophobicContact CD1-SD 4.21Å; F69-M102 HydrophobicContact CD2-CG 3.94Å; F69-M102 HydrophobicContact CD2-SD 4.07Å; F69-M102 HydrophobicContact CE1-CB 3.91Å; F69-M102 HydrophobicContact CE1-CG 3.59Å; F69-M102 HydrophobicContact CE2-CG 3.85Å; F69-M102 HydrophobicContact CG-CG 3.86Å; F69-M102 HydrophobicContact CG-SD 3.89Å; F69-M102 HydrophobicContact CZ-CB 4.36Å; F69-M102 HydrophobicContact CZ-CG 3.67Å; F70-M102 HydrophobicContact CE2-CB 4.47Å; F70-M102 HydrophobicContact CZ-CB 4.48Å; L98-M102 WeakPolarHBondContact O-CB 3.38Å; L98-M102 PolarHBondContact O-N 2.72Å; V99-M102 WeakPolarHBondContact O-CB 3.47Å; V99-M102 PolarHBondContact O-N 3.19Å; M102-R105 PolarHBondContact O-N 3.22Å; M102-L106 HydrophobicContact CG-CD1 3.8Å; M102-L106 HydrophobicContact CG-CG 4.39Å; M102-L106 WeakPolarHBondContact O-CB 3.31Å; M102-L106 WeakPolarHBondContact O-CG 3.28Å; M102-L106 PolarHBondContact O-N 3.24Å; M102-L106 HydrophobicContact SD-CD1 4.32Å
103G84.9Confident84.7Confident0 Ų033.9 Ų33.90%017%0.17CC..Hα-helixtrans-64.4-39.4175.500000114C44 V99 L100 T101 R105 K107 S108 F111C44-G103 WeakPolarHBondContact SG-CA 3.3Å; V99-G103 PolarHBondContact O-N 3.2Å; L100-G103 CarbonylContact O-C 3.58Å; L100-G103 PolarHBondContact O-N 2.82Å; T101-G103 VanDerWaalsContact C-N 3.28Å; T101-G103 PolarHBondContact O-N 2.99Å; G103-R105 VanDerWaalsContact C-N 3.3Å; G103-R105 PolarHBondContact O-N 3.08Å; G103-K107 CarbonylContact O-C 3.45Å; G103-K107 VanDerWaalsContact O-CA 3.31Å; G103-K107 WeakPolarHBondContact O-CA 3.28Å; G103-K107 PolarHBondContact O-N 3.41Å; G103-S108 PolarHBondContact O-N 3.46Å; G103-F111 WeakPolarHBondContact O-CD2 3.36Å
104L83.2Confident84.5Confident18 Ų1833.9 Ų33.99%0.09417%0.171CC..Hα-helixtrans-61.8-37.7171-76.2177.8000112.2W18 L100 T101 S108 F111 M112 T130 I134W18-L104 HydrophobicContact CH2-CD1 3.71Å; W18-L104 HydrophobicContact CH2-CD2 4.48Å; W18-L104 HydrophobicContact CH2-CG 4.03Å; W18-L104 HydrophobicContact CZ2-CD1 4.15Å; W18-L104 HydrophobicContact CZ2-CD2 4.09Å; W18-L104 HydrophobicContact CZ2-CG 4.07Å; L100-L104 PolarHBondContact O-N 3.12Å; T101-L104 PolarHBondContact O-N 3.16Å; L104-S108 WeakPolarHBondContact O-CA 3.45Å; L104-S108 WeakPolarHBondContact O-CB 3.29Å; L104-S108 PolarHBondContact O-N 3.4Å; L104-F111 HydrophobicContact CD2-CB 3.73Å; L104-F111 HydrophobicContact CG-CB 4.17Å; L104-M112 HydrophobicContact CD2-CG 3.57Å; L104-M112 HydrophobicContact CD2-SD 3.42Å; L104-M112 WeakPolarHBondContact CD2-SD 3.26Å; L104-T130 HydrophobicContact CD1-CG2 4.18Å; L104-I134 HydrophobicContact CD1-CD1 3.89Å
105R82Confident84.3Confident93 Ų9333.9 Ų33.935%0.35117%0.171SC..Hα-helixtrans-73.4-41.5178.2-73.5177.9170.3-173.9-5.1112.8F69 T101 M102 G103 L133 I134F69-R105 HydrophobicContact CZ-CB 4.16Å; T101-R105 WeakPolarHBondContact O-CG 3.44Å; T101-R105 PolarHBondContact O-N 3.15Å; M102-R105 PolarHBondContact O-N 3.22Å; G103-R105 VanDerWaalsContact C-N 3.3Å; G103-R105 PolarHBondContact O-N 3.08Å; R105-L133 VanDerWaalsContact CZ-O 3.27Å; R105-L133 PolarHBondContact NH2-O 3.38Å; R105-I134 PolarHBondContact NH2-O 2.94Å
106L83.9Confident84Confident83 Ų8340.1 Ų40.144%0.43520%0.199SC..Hα-helixtrans-88.9-42.2-175.2-68.7178.2000113.5C44 F69 M102C44-L106 HydrophobicContact CB-CD1 4.19Å; F69-L106 HydrophobicContact CD2-CD1 4.45Å; F69-L106 HydrophobicContact CE2-CD1 3.84Å; F69-L106 HydrophobicContact CE2-CD2 3.93Å; F69-L106 HydrophobicContact CE2-CG 3.87Å; F69-L106 HydrophobicContact CZ-CD1 4.44Å; F69-L106 HydrophobicContact CZ-CD2 4.45Å; F69-L106 HydrophobicContact CZ-CG 4.16Å; M102-L106 HydrophobicContact CG-CD1 3.8Å; M102-L106 HydrophobicContact CG-CG 4.39Å; M102-L106 WeakPolarHBondContact O-CB 3.31Å; M102-L106 WeakPolarHBondContact O-CG 3.28Å; M102-L106 PolarHBondContact O-N 3.24Å; M102-L106 HydrophobicContact SD-CD1 4.32Å
107K80.9Confident83.6Confident51 Ų5146.3 Ų46.322%0.22223%0.225CC..  trans-131.954.9-177.2-70.1-161.1179.61760112L43 D46 G103 K109 L110 F111L43-K107 VanDerWaalsContact O-CD 3.25Å; L43-K107 WeakPolarHBondContact O-CD 3.5Å; L43-K107 WeakPolarHBondContact O-CE 3.43Å; L43-K107 PolarHBondContact O-NZ 2.85Å; D46-K107 IonicContact OD1-NZ 2.69Å; D46-K107 PolarHBondContact OD1-NZ 3.38Å; D46-K107 WeakPolarHBondContact OD2-CE 3.47Å; D46-K107 IonicContact OD2-NZ 2.7Å; D46-K107 PolarHBondContact OD2-NZ 2.89Å; G103-K107 CarbonylContact O-C 3.45Å; G103-K107 VanDerWaalsContact O-CA 3.31Å; G103-K107 WeakPolarHBondContact O-CA 3.28Å; G103-K107 PolarHBondContact O-N 3.41Å; K107-K109 PolarHBondContact O-N 3.47Å; K107-L110 HydrophobicContact CB-CB 4.5Å; K107-L110 PolarHBondContact O-N 3Å; K107-F111 HydrophobicContact CB-CD2 4.13Å; K107-F111 HydrophobicContact CB-CE2 4.25Å; K107-F111 PolarHBondContact O-N 3.49Å
108S81.1Confident83.3Confident69 Ų6946.7 Ų46.748%0.48323%0.228SC..Hα-helixtrans-44.9-44.4-177.663.70000113.6G103 L104 L110 F111 M112G103-S108 PolarHBondContact O-N 3.46Å; L104-S108 WeakPolarHBondContact O-CA 3.45Å; L104-S108 WeakPolarHBondContact O-CB 3.29Å; L104-S108 PolarHBondContact O-N 3.4Å; S108-L110 PolarHBondContact O-N 3.42Å; S108-F111 PolarHBondContact O-N 2.84Å; S108-M112 WeakPolarHBondContact O-CA 3.34Å; S108-M112 WeakPolarHBondContact O-CB 3.48Å; S108-M112 WeakPolarHBondContact O-CG 3.45Å; S108-M112 PolarHBondContact O-N 2.93Å
109K77Confident82.7Confident185 Ų18549.9 Ų49.980%0.80425%0.248SC*.Hα-helixtrans-59.7-42.3-178.2-168.6177.9-178.4-178.70113.3K107 S113K107-K109 PolarHBondContact O-N 3.47Å; K109-S113 WeakPolarHBondContact O-CB 3.41Å; K109-S113 PolarHBondContact O-N 2.91Å
110L78.7Confident82Confident75 Ų7554.8 Ų54.839%0.39328%0.282SS..Hα-helixtrans-71.4-50.9-178.7-178.368.5000110.5K107 S108 S113 A114K107-L110 HydrophobicContact CB-CB 4.5Å; K107-L110 PolarHBondContact O-N 3Å; S108-L110 PolarHBondContact O-N 3.42Å; L110-S113 PolarHBondContact O-N 3.47Å; L110-A114 PolarHBondContact O-N 3.03Å
111F86Confident81.2Confident0 Ų059.2 Ų59.20%031%0.309CS..Hα-helixtrans-70.5-38.7-176.2-74.7-102.9000112.1W18 I22 L40 C44 L100 G103 L104 K107 S108 A114 A115W18-F111 HydrophobicContact CZ2-CB 4.38Å; W18-F111 PolarHBondContact NE1-O 3.01Å; I22-F111 HydrophobicContact CD1-CD1 3.47Å; I22-F111 VanDerWaalsContact CD1-CD1 3.47Å; I22-F111 HydrophobicContact CD1-CE1 3.68Å; I22-F111 HydrophobicContact CD1-CG 4.21Å; I22-F111 HydrophobicContact CG2-CE1 4.47Å; I22-F111 HydrophobicContact CG2-CZ 4.38Å; L40-F111 HydrophobicContact CD2-CE1 4.38Å; C44-F111 WeakPolarHBondContact SG-CZ 3.48Å; L100-F111 HydrophobicContact CD2-CD1 4.02Å; L100-F111 HydrophobicContact CD2-CE1 4Å; G103-F111 WeakPolarHBondContact O-CD2 3.36Å; L104-F111 HydrophobicContact CD2-CB 3.73Å; L104-F111 HydrophobicContact CG-CB 4.17Å; K107-F111 HydrophobicContact CB-CD2 4.13Å; K107-F111 HydrophobicContact CB-CE2 4.25Å; K107-F111 PolarHBondContact O-N 3.49Å; S108-F111 PolarHBondContact O-N 2.84Å; F111-A114 PolarHBondContact O-N 3.17Å; F111-A115 PolarHBondContact O-N 2.85Å
112M83.9Confident80.9Confident67 Ų6760.1 Ų60.133%0.3331%0.314SS..Hα-helixtrans-69-40.7173.1-70-65.7-68.700111.9L104 S108 A114 A115 F116L104-M112 HydrophobicContact CD2-CG 3.57Å; L104-M112 HydrophobicContact CD2-SD 3.42Å; L104-M112 WeakPolarHBondContact CD2-SD 3.26Å; S108-M112 WeakPolarHBondContact O-CA 3.34Å; S108-M112 WeakPolarHBondContact O-CB 3.48Å; S108-M112 WeakPolarHBondContact O-CG 3.45Å; S108-M112 PolarHBondContact O-N 2.93Å; M112-A114 PolarHBondContact O-N 3.36Å; M112-A115 CarbonylContact O-C 3.6Å; M112-A115 PolarHBondContact O-N 3.01Å; M112-F116 HydrophobicContact CB-CD2 4.25Å; M112-F116 HydrophobicContact CB-CE2 4.04Å; M112-F116 HydrophobicContact CE-CE1 4.37Å; M112-F116 HydrophobicContact CE-CE2 3.61Å; M112-F116 HydrophobicContact CE-CZ 3.51Å; M112-F116 WeakPolarHBondContact O-CD2 3.49Å; M112-F116 WeakPolarHBondContact O-CG 3.38Å; M112-F116 PolarHBondContact O-N 2.92Å
113S80.1Confident80.3Confident61 Ų6162 Ų6243%0.42732%0.323SS..Hα-helixtrans-60.7-37.2175.5178.30000111.5K109 L110 K117K109-S113 WeakPolarHBondContact O-CB 3.41Å; K109-S113 PolarHBondContact O-N 2.91Å; L110-S113 PolarHBondContact O-N 3.47Å; S113-K117 WeakPolarHBondContact O-CG 3.35Å; S113-K117 PolarHBondContact O-N 3.09Å
114A82.8Confident79.9Confident3 Ų366.8 Ų66.83%0.02534%0.342CS..Hα-helixtrans-67.6-39.1172.100000112.3H21 I22 L110 F111 M112 F116 K117H21-A114 HydrophobicContact CB-CB 3.75Å; I22-A114 HydrophobicContact CD1-CB 4.2Å; I22-A114 HydrophobicContact CG1-CB 3.41Å; I22-A114 VanDerWaalsContact CG1-CB 3.41Å; L110-A114 PolarHBondContact O-N 3.03Å; F111-A114 PolarHBondContact O-N 3.17Å; M112-A114 PolarHBondContact O-N 3.36Å; A114-F116 PolarHBondContact O-N 3.47Å; A114-K117 PolarHBondContact O-N 3.08Å
115A81.7Confident79.6Confident1 Ų168.5 Ų68.51%0.00835%0.349CS..Hα-helixtrans-67.1-33.4177.200000113W18 F111 M112 K117 L118 H123W18-A115 HydrophobicContact CZ2-CB 4.1Å; F111-A115 PolarHBondContact O-N 2.85Å; M112-A115 CarbonylContact O-C 3.6Å; M112-A115 PolarHBondContact O-N 3.01Å; A115-K117 VanDerWaalsContact C-N 3.34Å; A115-L118 WeakPolarHBondContact O-CB 2.99Å; A115-L118 PolarHBondContact O-N 3.39Å; A115-H123 PolarHBondContact O-ND1 3.41Å
116F81.5Confident79.5Confident131 Ų13164.2 Ų64.258%0.57533%0.333SS*.Hα-helixtrans-77.8-15.7177.3-73.2-54.8000113.8M112 A114 L118 H123M112-F116 HydrophobicContact CB-CD2 4.25Å; M112-F116 HydrophobicContact CB-CE2 4.04Å; M112-F116 HydrophobicContact CE-CE1 4.37Å; M112-F116 HydrophobicContact CE-CE2 3.61Å; M112-F116 HydrophobicContact CE-CZ 3.51Å; M112-F116 WeakPolarHBondContact O-CD2 3.49Å; M112-F116 WeakPolarHBondContact O-CG 3.38Å; M112-F116 PolarHBondContact O-N 2.92Å; A114-F116 PolarHBondContact O-N 3.47Å; F116-L118 PolarHBondContact O-N 2.81Å; F116-H123 AromaticContact CD1-CE1 3.43Å; F116-H123 VanDerWaalsContact CD1-CE1 3.43Å; F116-H123 WeakPolarHBondContact CD1-CE1 3.11Å; F116-H123 AromaticContact CD1-ND1 3.96Å; F116-H123 AromaticContact CD1-NE2 3.96Å; F116-H123 AromaticContact CE1-CE1 3.41Å; F116-H123 VanDerWaalsContact CE1-CE1 3.41Å; F116-H123 WeakPolarHBondContact CE1-CE1 3.28Å; F116-H123 AromaticContact CE1-NE2 3.57Å
117K81.4Confident79.3Confident134 Ų13463.1 Ų63.158%0.58333%0.329SS*.THydrogen-bonded Turntrans-74.9-13.6170.8-74.7174.9-177.3-179.10112.5S113 A114 A115S113-K117 WeakPolarHBondContact O-CG 3.35Å; S113-K117 PolarHBondContact O-N 3.09Å; A114-K117 PolarHBondContact O-N 3.08Å; A115-K117 VanDerWaalsContact C-N 3.34Å
118L81.6Confident79.1Confident10 Ų1062.7 Ų62.75%0.05233%0.328CS..SBendtrans-80.7151.6178.2-63166.1000111Q17 W18 A115 F116 M122 I126Q17-L118 HydrophobicContact CB-CD2 3.61Å; W18-L118 HydrophobicContact CB-CD1 3.81Å; W18-L118 HydrophobicContact CG-CD1 4.08Å; A115-L118 WeakPolarHBondContact O-CB 2.99Å; A115-L118 PolarHBondContact O-N 3.39Å; F116-L118 PolarHBondContact O-N 2.81Å; L118-M122 HydrophobicContact CB-CB 4.18Å; L118-I126 HydrophobicContact CD1-CD1 3.07Å
119P77.9Confident79.2Confident67 Ų6759.4 Ų59.444%0.43531%0.306SS..  trans-53.4147.3171.9-24.233.8000111.8T121 M122 H123P119-T121 PolarHBondContact O-N 2.97Å; P119-T121 VanDerWaalsContact O-N 3.1Å; P119-M122 PolarHBondContact O-N 3.23Å; P119-H123 PolarHBondContact O-N 3.44Å
120S72.6Confident79.4Confident102 Ų10251 Ų5171%0.71327%0.269SS*.Hα-helixtrans-52.9-35.7-176.851.50000113.7H123 Y124S120-H123 PolarHBondContact O-N 3.48Å; S120-Y124 PolarHBondContact O-N 3.34Å; S120-Y124 VanDerWaalsContact O-N 3.11Å
121T72.9Confident79.1Confident93 Ų9349.5 Ų49.557%0.57126%0.26SS*.Hα-helixtrans-62.8-42.8175.552.20000112.5P119 H125P119-T121 PolarHBondContact O-N 2.97Å; P119-T121 VanDerWaalsContact O-N 3.1Å; T121-H125 PolarHBondContact O-CD2 2.99Å; T121-H125 PolarHBondContact O-N 2.99Å
122M78.8Confident78.4Confident20 Ų2051.4 Ų51.410%0.09927%0.273CS..Hα-helixtrans-74.2-32.5176.7-61.4-165.2-176.500112.2C14 Q17 L118 P119 Y124 H125 I126C14-M122 VanDerWaalsContact SG-CG 3.56Å; Q17-M122 PolarHBondContact OE1-SD 3.34Å; L118-M122 HydrophobicContact CB-CB 4.18Å; P119-M122 PolarHBondContact O-N 3.23Å; M122-Y124 VanDerWaalsContact C-N 3.34Å; M122-Y124 PolarHBondContact O-N 3.35Å; M122-H125 WeakPolarHBondContact O-CB 3.07Å; M122-H125 PolarHBondContact O-N 3.46Å; M122-I126 PolarHBondContact O-N 2.83Å
123H74.5Confident78Confident40 Ų4048.3 Ų48.319%0.18526%0.258CS..Hα-helixtrans-60.4-44.7174.9-168.680.1000111.3A115 F116 P119 S120 H125 I126 V127A115-H123 PolarHBondContact O-ND1 3.41Å; F116-H123 AromaticContact CD1-CE1 3.43Å; F116-H123 VanDerWaalsContact CD1-CE1 3.43Å; F116-H123 WeakPolarHBondContact CD1-CE1 3.11Å; F116-H123 AromaticContact CD1-ND1 3.96Å; F116-H123 AromaticContact CD1-NE2 3.96Å; F116-H123 AromaticContact CE1-CE1 3.41Å; F116-H123 VanDerWaalsContact CE1-CE1 3.41Å; F116-H123 WeakPolarHBondContact CE1-CE1 3.28Å; F116-H123 AromaticContact CE1-NE2 3.57Å; P119-H123 PolarHBondContact O-N 3.44Å; S120-H123 PolarHBondContact O-N 3.48Å; H123-H125 VanDerWaalsContact C-N 3.31Å; H123-H125 PolarHBondContact O-N 3.38Å; H123-I126 PolarHBondContact O-N 2.73Å; H123-I126 VanDerWaalsContact O-N 3.14Å; H123-V127 WeakPolarHBondContact O-CG2 3.17Å; H123-V127 PolarHBondContact O-N 3.49Å
124Y75.6Confident77.6Confident100 Ų10048.5 Ų48.539%0.39225%0.253SS..Hα-helixtrans-56.2-46.2173.6179.1-92.9000111.6S120 M122 I126 V127 E128 I159S120-Y124 PolarHBondContact O-N 3.34Å; S120-Y124 VanDerWaalsContact O-N 3.11Å; M122-Y124 VanDerWaalsContact C-N 3.34Å; M122-Y124 PolarHBondContact O-N 3.35Å; Y124-I126 VanDerWaalsContact C-N 3.28Å; Y124-I126 PolarHBondContact O-N 3.13Å; Y124-V127 PolarHBondContact O-N 2.89Å; Y124-E128 WeakPolarHBondContact O-CB 3.44Å; Y124-E128 PolarHBondContact O-N 3.42Å; Y124-I159 HydrophobicContact CE2-CD1 3.88Å
125H77.1Confident76.7Confident53 Ų5352.4 Ų52.425%0.24527%0.271CS..Hα-helixtrans-61.2-36.1178-68.6-44.4000113.1R11 T121 M122 H123 E128 M129R11-H125 PolarHBondContact NH1-ND1 3.48Å; R11-H125 VanDerWaalsContact NH1-ND1 3.1Å; R11-H125 PolarHBondContact NH1-O 2.84Å; R11-H125 VanDerWaalsContact NH1-O 3.12Å; R11-H125 PolarHBondContact NH2-ND1 2.82Å; R11-H125 VanDerWaalsContact NH2-ND1 3.17Å; T121-H125 PolarHBondContact O-CD2 2.99Å; T121-H125 PolarHBondContact O-N 2.99Å; M122-H125 WeakPolarHBondContact O-CB 3.07Å; M122-H125 PolarHBondContact O-N 3.46Å; H123-H125 VanDerWaalsContact C-N 3.31Å; H123-H125 PolarHBondContact O-N 3.38Å; H125-E128 IonicContact ND1-OE2 2.89Å; H125-M129 HydrophobicContact CB-CE 4.43Å; H125-M129 WeakPolarHBondContact O-CB 3.48Å; H125-M129 VanDerWaalsContact O-CE 3.25Å; H125-M129 WeakPolarHBondContact O-CE 3.15Å; H125-M129 VanDerWaalsContact O-CG 3.24Å; H125-M129 WeakPolarHBondContact O-CG 3.26Å; H125-M129 PolarHBondContact O-N 2.92Å
126I80.5Confident75.5Confident4 Ų460 Ų602%0.02131%0.312CS..Hα-helixtrans-66.9-45.1175.5-73.8167.6000111.3W18 L118 M122 H123 Y124 E128 M129 T130W18-I126 HydrophobicContact CB-CD1 4.09Å; W18-I126 HydrophobicContact CD2-CD1 3.81Å; W18-I126 HydrophobicContact CD2-CG1 4.44Å; W18-I126 HydrophobicContact CD2-CG2 4.38Å; W18-I126 HydrophobicContact CE3-CD1 3.79Å; W18-I126 HydrophobicContact CE3-CG1 3.93Å; W18-I126 HydrophobicContact CE3-CG2 3.84Å; W18-I126 HydrophobicContact CG-CD1 3.94Å; W18-I126 HydrophobicContact CH2-CG2 3.76Å; W18-I126 HydrophobicContact CZ2-CG2 4.26Å; W18-I126 HydrophobicContact CZ3-CG1 4.38Å; W18-I126 HydrophobicContact CZ3-CG2 3.51Å; L118-I126 HydrophobicContact CD1-CD1 3.07Å; M122-I126 PolarHBondContact O-N 2.83Å; H123-I126 PolarHBondContact O-N 2.73Å; H123-I126 VanDerWaalsContact O-N 3.14Å; Y124-I126 VanDerWaalsContact C-N 3.28Å; Y124-I126 PolarHBondContact O-N 3.13Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.05Å; I126-M129 HydrophobicContact CG1-CE 4.17Å; I126-M129 PolarHBondContact O-N 2.75Å; I126-T130 HydrophobicContact CG2-CG2 4.2Å; I126-T130 WeakPolarHBondContact O-CB 3.31Å; I126-T130 VanDerWaalsContact O-CG2 3.31Å; I126-T130 WeakPolarHBondContact O-CG2 3.35Å; I126-T130 PolarHBondContact O-N 3.21Å; I126-T130 PolarHBondContact O-OG1 3.4Å
127V78.1Confident74.4Confident59 Ų5957 Ų5736%0.35831%0.306SS..Hα-helixtrans-59.4-48.2177.81750000109.9H123 Y124 M129 T130 Q131H123-V127 WeakPolarHBondContact O-CG2 3.17Å; H123-V127 PolarHBondContact O-N 3.49Å; Y124-V127 PolarHBondContact O-N 2.89Å; V127-M129 PolarHBondContact O-N 3.45Å; V127-T130 PolarHBondContact O-N 3.42Å; V127-T130 PolarHBondContact O-OG1 3.26Å; V127-Q131 WeakPolarHBondContact O-CB 3.4Å; V127-Q131 PolarHBondContact O-N 2.9Å
128E78.2Confident73.8Confident42 Ų4256.2 Ų56.220%0.19631%0.314CS..Hα-helixtrans-59.7-42.2178.5-172.6-173.9-176.800113R11 Y124 H125 I126 P132R11-E128 IonicContact CZ-OE2 3.23Å; R11-E128 IonicContact NH1-OE2 2.86Å; R11-E128 PolarHBondContact NH1-OE2 3.5Å; R11-E128 IonicContact NH2-OE1 3.73Å; R11-E128 IonicContact NH2-OE2 2.74Å; R11-E128 PolarHBondContact NH2-OE2 3.05Å; Y124-E128 WeakPolarHBondContact O-CB 3.44Å; Y124-E128 PolarHBondContact O-N 3.42Å; H125-E128 IonicContact ND1-OE2 2.89Å; I126-E128 VanDerWaalsContact C-N 3.33Å; I126-E128 PolarHBondContact O-N 3.05Å; E128-P132 WeakPolarHBondContact O-CD 3.36Å
129M82.4Confident73.6Confident1 Ų156.7 Ų56.71%0.00532%0.317CS..Hα-helixtrans-71.5-34.1178-70.2-178.8-66.900112.9R11 C14 L15 L97 H125 I126 V127 A146 L147R11-M129 HydrophobicContact CB-SD 3.91Å; R11-M129 HydrophobicContact CG-SD 4.21Å; C14-M129 HydrophobicContact CB-CE 4.45Å; L15-M129 HydrophobicContact CD1-SD 4.44Å; L15-M129 HydrophobicContact CD2-CE 3.89Å; L15-M129 HydrophobicContact CD2-SD 4.36Å; L15-M129 HydrophobicContact CG-CE 4.1Å; L15-M129 HydrophobicContact CG-SD 4.33Å; L97-M129 HydrophobicContact CD1-CB 3.84Å; L97-M129 HydrophobicContact CD2-CB 4.21Å; H125-M129 HydrophobicContact CB-CE 4.43Å; H125-M129 WeakPolarHBondContact O-CB 3.48Å; H125-M129 VanDerWaalsContact O-CE 3.25Å; H125-M129 WeakPolarHBondContact O-CE 3.15Å; H125-M129 VanDerWaalsContact O-CG 3.24Å; H125-M129 WeakPolarHBondContact O-CG 3.26Å; H125-M129 PolarHBondContact O-N 2.92Å; I126-M129 HydrophobicContact CG1-CE 4.17Å; I126-M129 PolarHBondContact O-N 2.75Å; V127-M129 PolarHBondContact O-N 3.45Å; M129-A146 HydrophobicContact CG-CB 4.18Å; M129-L147 HydrophobicContact CG-CD2 4.49Å; M129-L147 HydrophobicContact SD-CD2 3.71Å
130T81.2Confident73.6Confident7 Ų755.9 Ų55.94%0.04331%0.313CS..Hα-helixtrans-91.4-25-173.455.90000113.6W18 L97 T101 L104 I126 V127 L133 I134W18-T130 HydrophobicContact CH2-CG2 4.04Å; W18-T130 HydrophobicContact CZ3-CG2 3.92Å; L97-T130 HydrophobicContact CD1-CG2 3.88Å; T101-T130 HydrophobicContact CG2-CG2 3.68Å; L104-T130 HydrophobicContact CD1-CG2 4.18Å; I126-T130 HydrophobicContact CG2-CG2 4.2Å; I126-T130 WeakPolarHBondContact O-CB 3.31Å; I126-T130 VanDerWaalsContact O-CG2 3.31Å; I126-T130 WeakPolarHBondContact O-CG2 3.35Å; I126-T130 PolarHBondContact O-N 3.21Å; I126-T130 PolarHBondContact O-OG1 3.4Å; V127-T130 PolarHBondContact O-N 3.42Å; V127-T130 PolarHBondContact O-OG1 3.26Å; T130-L133 PolarHBondContact O-N 3.34Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 3.06Å
131Q72.6Confident73.6Confident44 Ų4453.4 Ų53.421%0.20629%0.291CS..Hα-helixtrans-54.5-47.2-176.3177.1159.716.700114.1V127 L133 I134 E135 H160V127-Q131 WeakPolarHBondContact O-CB 3.4Å; V127-Q131 PolarHBondContact O-N 2.9Å; Q131-L133 PolarHBondContact O-N 3.07Å; Q131-L133 VanDerWaalsContact O-N 3.13Å; Q131-I134 PolarHBondContact O-N 2.91Å; Q131-E135 HydrophobicContact CG-CG 4.41Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.43Å; Q131-E135 PolarHBondContact NE2-OE1 3.49Å; Q131-E135 WeakPolarHBondContact O-CG 3.43Å; Q131-E135 PolarHBondContact O-N 3.36Å; Q131-E135 VanDerWaalsContact O-N 3.1Å; Q131-H160 PolarHBondContact NE2-NE2 3.29Å; Q131-H160 VanDerWaalsContact NE2-NE2 3.19Å
132P71.9Confident73.6Confident41 Ų4153 Ų5327%0.26629%0.288SS..Hα-helixtrans-63.7-20.8178.8-19.631.7000114.2E128E128-P132 WeakPolarHBondContact O-CD 3.36Å
133L75.6Confident73.5Confident1 Ų152.4 Ų52.41%0.00529%0.286CS..Hα-helixtrans-98.6-17.7-177.2-63.4172.2000112.7L97 L98 T101 R105 T130 Q131 I139 F144L97-L133 HydrophobicContact CB-CD1 4.49Å; L97-L133 HydrophobicContact CD2-CD1 3.64Å; L97-L133 HydrophobicContact CG-CD1 3.65Å; L98-L133 HydrophobicContact CD2-CD1 4.45Å; L98-L133 HydrophobicContact CD2-CD2 4.1Å; T101-L133 HydrophobicContact CG2-CB 3.82Å; T101-L133 HydrophobicContact CG2-CD1 3.95Å; R105-L133 VanDerWaalsContact CZ-O 3.27Å; R105-L133 PolarHBondContact NH2-O 3.38Å; T130-L133 PolarHBondContact O-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.07Å; Q131-L133 VanDerWaalsContact O-N 3.13Å; L133-I139 HydrophobicContact CD2-CD1 4.24Å; L133-I139 HydrophobicContact CD2-CG1 4.17Å; L133-I139 HydrophobicContact CD2-CG2 4.04Å; L133-F144 HydrophobicContact CD1-CE1 4.08Å; L133-F144 HydrophobicContact CD2-CE1 4.29Å; L133-F144 HydrophobicContact CD2-CZ 4.15Å
134I71.1Confident73.8Confident65 Ų6550.5 Ų50.533%0.33328%0.277SS..Hα-helixtrans-87-41.5174.7-66.7167.7000110.1L104 R105 T130 Q131L104-I134 HydrophobicContact CD1-CD1 3.89Å; R105-I134 PolarHBondContact NH2-O 2.94Å; T130-I134 WeakPolarHBondContact O-CG1 3.39Å; T130-I134 PolarHBondContact O-N 3.06Å; Q131-I134 PolarHBondContact O-N 2.91Å
135E63.1Low73.7Confident85 Ų8550.8 Ų50.840%0.39728%0.282SS..SBendtrans-61.2139.9172.6-66.3175.4-175.100109.2Q131 C137Q131-E135 HydrophobicContact CG-CG 4.41Å; Q131-E135 WeakPolarHBondContact CG-OE1 3.43Å; Q131-E135 PolarHBondContact NE2-OE1 3.49Å; Q131-E135 WeakPolarHBondContact O-CG 3.43Å; Q131-E135 PolarHBondContact O-N 3.36Å; Q131-E135 VanDerWaalsContact O-N 3.1Å; E135-C137 PolarHBondContact O-N 2.88Å
136D57.3Low73.5Confident162 Ų16248.9 Ų48.987%0.86628%0.276SS*.SBendtrans-68.933.8-176.2-69-41.2000113.5
137C58.6Low73.2Confident68 Ų6848.7 Ų48.746%0.45928%0.275SS..  trans-75.5144.9174.8-69.20000110.5E135 I139E135-C137 PolarHBondContact O-N 2.88Å; C137-I139 PolarHBondContact O-N 2.72Å
138P68.4Low72.7Confident116 Ų11647.9 Ų47.975%0.75327%0.272SS*.  trans-60.6127172.525.1-32000109.8S140P138-S140 PolarHBondContact O-N 3.35Å
139I76.5Confident71.8Confident21 Ų2149.7 Ų49.711%0.10828%0.282CS..  trans-71.5115.9-179.4-59.1177.7000108.9F70 V72 F74 I77 L98 L133 C137 F144F70-I139 HydrophobicContact CB-CD1 3.86Å; F70-I139 HydrophobicContact CD1-CD1 3.28Å; F70-I139 HydrophobicContact CD2-CD1 4.44Å; F70-I139 HydrophobicContact CE1-CD1 3.84Å; F70-I139 HydrophobicContact CG-CD1 3.61Å; V72-I139 HydrophobicContact CG2-CB 4.47Å; F74-I139 HydrophobicContact CE1-CG2 4.19Å; I77-I139 WeakPolarHBondContact CD1-O 3.36Å; L98-I139 HydrophobicContact CD2-CD1 4.17Å; L133-I139 HydrophobicContact CD2-CD1 4.24Å; L133-I139 HydrophobicContact CD2-CG1 4.17Å; L133-I139 HydrophobicContact CD2-CG2 4.04Å; C137-I139 PolarHBondContact O-N 2.72Å; I139-F144 HydrophobicContact CG2-CE2 3.95Å; I139-F144 HydrophobicContact CG2-CZ 4.14Å
140S78.2Confident70.1Confident50 Ų5056 Ų5635%0.3532%0.316SS..  trans-130174.4175.151.90000110.6P138 T142 S143P138-S140 PolarHBondContact O-N 3.35Å; S140-T142 PolarHBondContact O-N 3.19Å; S140-T142 VanDerWaalsContact O-N 3.12Å; S140-T142 PolarHBondContact OG-OG1 3.4Å; S140-S143 PolarHBondContact N-OG 2.9Å; S140-S143 WeakPolarHBondContact O-CB 3.38Å; S140-S143 PolarHBondContact O-N 3.16Å; S140-S143 PolarHBondContact O-OG 2.83Å
141M72.9Confident68.2Low50 Ų5060.3 Ų60.325%0.24634%0.338CS..G310 helixtrans-55.2-31.1176.7-77.7-59.3-56.400113.3M5 I77 F78 Y90 S143 F144M5-M141 HydrophobicContact CE-CE 4.21Å; M5-M141 HydrophobicContact SD-CE 3.88Å; I77-M141 HydrophobicContact CG2-CG 3.96Å; I77-M141 HydrophobicContact CG2-SD 3.55Å; I77-M141 VanDerWaalsContact CG2-SD 3.55Å; F78-M141 HydrophobicContact CD1-SD 4.48Å; F78-M141 HydrophobicContact CE1-SD 3.95Å; F78-M141 HydrophobicContact CZ-SD 4.35Å; Y90-M141 HydrophobicContact CE1-CE 3.97Å; M141-S143 PolarHBondContact O-N 2.93Å; M141-F144 PolarHBondContact O-N 3.4Å; M141-F144 VanDerWaalsContact O-N 3.08Å
142T72.9Confident66.3Low84 Ų8466.6 Ų66.652%0.51537%0.368SS..G310 helixtrans-62.4-26.3175.3550000112.9S140 F144 E145S140-T142 PolarHBondContact O-N 3.19Å; S140-T142 VanDerWaalsContact O-N 3.12Å; S140-T142 PolarHBondContact OG-OG1 3.4Å; T142-F144 PolarHBondContact O-N 3.28Å; T142-E145 PolarHBondContact O-N 2.88Å
143S76Confident64.5Low8 Ų871.8 Ų71.86%0.05639%0.393CS..G310 helixtrans-65-17.2175.3-51.80000112.6S140 M141S140-S143 PolarHBondContact N-OG 2.9Å; S140-S143 WeakPolarHBondContact O-CB 3.38Å; S140-S143 PolarHBondContact O-N 3.16Å; S140-S143 PolarHBondContact O-OG 2.83Å; M141-S143 PolarHBondContact O-N 2.93Å
144F80.9Confident62.4Low0 Ų079.6 Ų79.60%043%0.429CS..G310 helixtrans-108.86.7179.9-56.9-78.6000113.2F78 Y90 C94 L97 L98 L133 I139 M141 T142 A146 L147F78-F144 HydrophobicContact CZ-CD2 4.44Å; F78-F144 HydrophobicContact CZ-CE2 4.22Å; Y90-F144 WeakPolarHBondContact OH-CB 3.46Å; Y90-F144 PolarHBondContact OH-O 2.88Å; Y90-F144 VanDerWaalsContact OH-O 3.06Å; C94-F144 HydrophobicContact CB-CD1 3.83Å; C94-F144 HydrophobicContact CB-CE1 3.88Å; C94-F144 HydrophobicContact CB-CG 4.32Å; C94-F144 HydrophobicContact CB-CZ 4.41Å; L97-F144 HydrophobicContact CD2-CD1 4.1Å; L97-F144 HydrophobicContact CD2-CE1 4.4Å; L98-F144 HydrophobicContact CD1-CE1 4.41Å; L98-F144 HydrophobicContact CD1-CZ 3.93Å; L98-F144 HydrophobicContact CD2-CE1 4.34Å; L98-F144 HydrophobicContact CD2-CZ 3.93Å; L98-F144 HydrophobicContact CG-CE1 3.99Å; L98-F144 HydrophobicContact CG-CZ 3.84Å; L133-F144 HydrophobicContact CD1-CE1 4.08Å; L133-F144 HydrophobicContact CD2-CE1 4.29Å; L133-F144 HydrophobicContact CD2-CZ 4.15Å; I139-F144 HydrophobicContact CG2-CE2 3.95Å; I139-F144 HydrophobicContact CG2-CZ 4.14Å; M141-F144 PolarHBondContact O-N 3.4Å; M141-F144 VanDerWaalsContact O-N 3.08Å; T142-F144 PolarHBondContact O-N 3.28Å; F144-A146 PolarHBondContact O-N 3.49Å; F144-L147 HydrophobicContact CB-CD1 4.27Å; F144-L147 HydrophobicContact CD1-CD1 4.18Å; F144-L147 WeakPolarHBondContact O-CB 3.37Å; F144-L147 PolarHBondContact O-N 3.3Å
145E74.2Confident60.5Low105 Ų10581.9 Ų81.949%0.49145%0.448SS..G310 helixtrans-60.1-32.9179.4-84.6176.7-17300112.5T142 L147 S148 L149T142-E145 PolarHBondContact O-N 2.88Å; E145-L147 PolarHBondContact O-N 2.98Å; E145-S148 PolarHBondContact O-N 2.87Å; E145-L149 HydrophobicContact CB-CD1 4.46Å
146A73.1Confident58.8Low14 Ų1485.8 Ų85.812%0.11647%0.471CS..G310 helixtrans-59.6-18.3176.600000113.8M129 F144M129-A146 HydrophobicContact CG-CB 4.18Å; F144-A146 PolarHBondContact O-N 3.49Å
147L74.5Confident57.5Low0 Ų083.8 Ų83.80%047%0.465CS..G310 helixtrans-76.5-24.5174.9-71174.4000113.4V7 N8 L15 Y90 L97 M129 F144 E145V7-L147 HydrophobicContact CG1-CB 4.27Å; V7-L147 HydrophobicContact CG1-CD2 4.41Å; N8-L147 PolarHBondContact N-O 3.35Å; L15-L147 HydrophobicContact CD1-CD2 3.88Å; Y90-L147 HydrophobicContact CE2-CB 4.04Å; L97-L147 HydrophobicContact CD2-CD1 4.24Å; L97-L147 HydrophobicContact CD2-CD2 4.44Å; L97-L147 HydrophobicContact CD2-CG 4.33Å; M129-L147 HydrophobicContact CG-CD2 4.49Å; M129-L147 HydrophobicContact SD-CD2 3.71Å; F144-L147 HydrophobicContact CB-CD1 4.27Å; F144-L147 HydrophobicContact CD1-CD1 4.18Å; F144-L147 WeakPolarHBondContact O-CB 3.37Å; F144-L147 PolarHBondContact O-N 3.3Å; E145-L147 PolarHBondContact O-N 2.98Å
148S68.1Low56.3Low42 Ų4286.7 Ų86.729%0.29448%0.483SS..THydrogen-bonded Turntrans-103.6-7.8-173.7-65.90000114.4E6 Y90 E145E6-S148 PolarHBondContact O-OG 3.49Å; Y90-S148 VanDerWaalsContact CE2-OG 3.27Å; Y90-S148 WeakPolarHBondContact CE2-OG 3.45Å; E145-S148 PolarHBondContact O-N 2.87Å
149L59.1Low54.4Low80 Ų8084.8 Ų84.842%0.41947%0.466SS..  trans-86.1120.4-171.7-91.3152.5000112N8 E145 L151N8-L149 PolarHBondContact ND2-O 2.99Å; E145-L149 HydrophobicContact CB-CD1 4.46Å; L149-L151 HydrophobicContact CB-CD1 3.85Å; L149-L151 HydrophobicContact CD2-CD1 4.07Å; L149-L151 HydrophobicContact CG-CD1 4.43Å; L149-L151 PolarHBondContact O-N 2.97Å
150D45.1Very low52.1Low133 Ų13388.8 Ų88.871%0.71148%0.484SS*.  trans-87.291.4165.3-91.4-27.4000109.8N8N8-D150 PolarHBondContact ND2-OD1 2.84Å
151L42.6Very low49.7Very low98 Ų9896 Ų9651%0.51351%0.512SS..  trans-94.779.3168.1-83.398.6000110L149L149-L151 HydrophobicContact CB-CD1 3.85Å; L149-L151 HydrophobicContact CD2-CD1 4.07Å; L149-L151 HydrophobicContact CG-CD1 4.43Å; L149-L151 PolarHBondContact O-N 2.97Å
152E32.9Very low47.7Very low176 Ų17697.9 Ų97.982%0.82253%0.53SS*.SBendtrans-101.8-7.9159.2-105-174.9174.800113
153N33.8Very low45.5Very low150 Ų150105 Ų10580%0.80255%0.547SS*.SBendtrans-120.922.9-168.1-75.2-37.5000117.2
154H30.7Very low43.1Very low164 Ų164112.3 Ų112.376%0.75959%0.586SS**SBendtrans-134.7132.6168.7-82.1-50.6000114.4
155P31.2Very low40.5Very low114 Ų114120.1 Ų120.174%0.7463%0.626SS**  trans-68.2138.3-178.925.7-31.9000112.9T157P155-T157 PolarHBondContact O-N 3.48Å
156L27.2Very low38.1Very low166 Ų166124.4 Ų124.487%0.86964%0.643SS**  trans-55.8110.2-173.3-62.5155.8000112.4
157T29.9Very low36Very low120 Ų120127.9 Ų127.974%0.73667%0.672SS**  trans-121.6142.5161.1330000109.9P155 I159P155-T157 PolarHBondContact O-N 3.48Å; T157-I159 PolarHBondContact O-N 2.78Å
158P33.4Very low34Very low129 Ų129133.3 Ų133.384%0.83871%0.707SS**  trans-61.2132.5-177.7-19.631.5000112.2H160P158-H160 PolarHBondContact O-N 2.99Å
159I28.9Very low32.2Very low77 Ų77139.8 Ų139.840%0.39574%0.737SS.*  trans-45.5115.4173.6-56.7163.3000111Y124 T157Y124-I159 HydrophobicContact CE2-CD1 3.88Å; T157-I159 PolarHBondContact O-N 2.78Å
160H29.7Very low30.8Very low105 Ų105140.9 Ų140.949%0.48675%0.747SS.*  169.199123.2-94.3-64000111.8Q131 P158 S162Q131-H160 PolarHBondContact NE2-NE2 3.29Å; Q131-H160 VanDerWaalsContact NE2-NE2 3.19Å; P158-H160 PolarHBondContact O-N 2.99Å; H160-S162 PolarHBondContact O-N 3.47Å
161Q26.6Very low30Very low202 Ų202140.3 Ų140.394%0.94475%0.753SS**  trans-84.561.6141.4-74.9-1750.900108.1R163Q161-R163 PolarHBondContact O-N 3.23Å; Q161-R163 VanDerWaalsContact O-N 3.14Å
162S30.3Very low29.4Very low89 Ų89141.3 Ų141.362%0.62277%0.765SS**  trans-73.5106.716448.10000107.3H160 N164H160-S162 PolarHBondContact O-N 3.47Å; S162-N164 PolarHBondContact O-N 2.88Å
163R26.8Very low29.2Very low233 Ų233139.6 Ų139.688%0.87977%0.766SS**  trans-40.4117.6175.6-75.8172.2169.6171.5-2.8111.4Q161 I165Q161-R163 PolarHBondContact O-N 3.23Å; Q161-R163 VanDerWaalsContact O-N 3.14Å; R163-I165 PolarHBondContact O-N 3.16Å
164N26.1Very low28.9Very low161 Ų161139.9 Ų139.986%0.86177%0.766SS**  trans10.678.6146.6-86.2-41.3000115.5S162 K166S162-N164 PolarHBondContact O-N 2.88Å; N164-K166 PolarHBondContact O-N 3.45Å
165I27.4Very low28.8Very low165 Ų165136.7 Ų136.785%0.84676%0.762SS**  trans-8499153-61176.5000105R163 A167R163-I165 PolarHBondContact O-N 3.16Å; I165-A167 PolarHBondContact O-N 2.79Å
166K23.7Very low28.4Very low195 Ų195140.5 Ų140.585%0.84877%0.767SS**  trans-51.2110.5173.3-83.7175.8172.9175.30109.5N164N164-K166 PolarHBondContact O-N 3.45Å
167A29.1Very low28.5Very low87 Ų87138.5 Ų138.572%0.71976%0.761SS**  trans-76.4147.7158.500000109.5I165I165-A167 PolarHBondContact O-N 2.79Å
168P31.6Very low28.3Very low114 Ų114138 Ų13874%0.7476%0.76SS**  trans-73.7140.6-170.1-8.325.3000112.2T170P168-T170 PolarHBondContact O-N 3.46Å
169L29.8Very low27.8Very low177 Ų177140.1 Ų140.193%0.92776%0.761SS**  trans-48.2112.7171.9-66.2148000112.4
170T29.7Very low27.9Very low104 Ų104143.9 Ų143.964%0.63878%0.781SS**PPolyproline II helixtrans-89.1132157.624.60000109.8P168P168-T170 PolarHBondContact O-N 3.46Å
171C27.9Very low27.8Very low121 Ų121144.5 Ų144.582%0.81879%0.794SS**PPolyproline II helixtrans-64154.7-172.3-81.80000114.5
172P31Very low27.6Very low118 Ų118144.6 Ų144.677%0.76679%0.792SS**PPolyproline II helixtrans-71.7144.3-171.829.1-34.2000113.2I174P172-I174 PolarHBondContact O-N 3.36Å
173V28.3Very low27.4Very low140 Ų140143.3 Ų143.385%0.84879%0.793SS**PPolyproline II helixtrans-54.8121.2170.6176.30000109.8S175V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 3.46Å
174I28.2Very low27.3Very low157 Ų157141.2 Ų141.281%0.80579%0.793SS**  trans-6198.3167.8-64.5170000107.3P172 K176P172-I174 PolarHBondContact O-N 3.36Å; I174-K176 PolarHBondContact O-N 3Å; I174-K176 VanDerWaalsContact O-N 3.16Å
175S28.4Very low27.2Very low96 Ų96143 Ų14367%0.67179%0.793SS**  trans-54.1113.2166.7165.80000108.9V173 V177V173-S175 VanDerWaalsContact C-N 3.33Å; V173-S175 PolarHBondContact O-N 3.46Å; S175-V177 PolarHBondContact O-N 2.84Å; S175-V177 VanDerWaalsContact O-N 3.1Å
176K23.2Very low27.2Very low195 Ų195144.6 Ų144.685%0.84880%0.796SS**  trans-64.9104.6166.9-73.8178.8177.7175.60107.7I174 P178I174-K176 PolarHBondContact O-N 3Å; I174-K176 VanDerWaalsContact O-N 3.16Å; K176-P178 WeakPolarHBondContact O-CD 3.38Å
177V27.9Very low27.3Very low124 Ų124142.3 Ų142.375%0.75279%0.793SS**  trans-62.6119.8165178.80000107.7S175 M179S175-V177 PolarHBondContact O-N 2.84Å; S175-V177 VanDerWaalsContact O-N 3.1Å; V177-M179 PolarHBondContact O-N 3.02Å
178P26.8Very low27Very low108 Ų108144.9 Ų144.970%0.70180%0.795SS**  trans-66.3121178.4-16.130000109.7K176 L180K176-P178 WeakPolarHBondContact O-CD 3.38Å; P178-L180 PolarHBondContact O-N 3.02Å
179M22.9Very low26.8Very low175 Ų175145.7 Ų145.786%0.86280%0.797SS**  trans-67.1103.7168-73.4-139.710100109V177V177-M179 PolarHBondContact O-N 3.02Å
180L30.3Very low26.6Very low155 Ų155143.6 Ų143.681%0.81279%0.792SS**PPolyproline II helixtrans-67.2139.6161.9-83.4157.9000109.5P178P178-L180 PolarHBondContact O-N 3.02Å
181P27.4Very low26Very low118 Ų118141.9 Ų141.977%0.76680%0.795SS**PPolyproline II helixtrans-76.9139-17330-31.9000111.9G183P181-G183 PolarHBondContact O-N 3.5Å
182F22.2Very low26.1Very low204 Ų204141.4 Ų141.490%0.89579%0.79SS**PPolyproline II helixtrans-55127.8171.6-84.3-102.7000111.9
183G26.1Very low25.7Very low63 Ų63143.7 Ų143.765%0.64980%0.796SS**  trans-171.380.5174.300000114P181P181-G183 PolarHBondContact O-N 3.5Å
184H26Very low25.7Very low188 Ų188143.1 Ų143.187%0.8779%0.788SS**  trans53.3111.7147.9-64.6-75.5000121.8
185K23Very low25.4Very low199 Ų199142.1 Ų142.187%0.86579%0.789SS**  trans-18.1122.9145.2-65173.2174.2-1790115.2
186E27.9Very low25.3Very low198 Ų198146.8 Ų146.893%0.92580%0.797SS**  trans-139.9140.3131.8-76.2-160.1157.600110.2
187L25.9Very low25.5Very low148 Ų148144.7 Ų144.778%0.77580%0.796SS**  trans-85.8147.4-177.2-86.2135.8000110.6
188N21.7Very low25.5Very low141 Ų141146.3 Ų146.375%0.75480%0.8SS**  trans60.2118.6151-60.1-13.6000118.1
189V28.2Very low25.6Very low131 Ų131146.5 Ų146.579%0.79480%0.799SS**  -170.1122.2108.41670000108.4
190T24.7Very low26Very low133 Ų133146.7 Ų146.782%0.81680%0.798SS**  trans6.4125.4146.7-18.70000117.6
191G19.1Very low25.9Very low68 Ų68145.2 Ų145.270%0.70180%0.8SS**  trans-73.7-176.4-177.400000116
192P28.4Very low26Very low110 Ų110143.1 Ų143.171%0.71480%0.8SS**  trans-103.5120.6151.531.9-18.7000109.5L194P192-L194 PolarHBondContact O-N 2.92Å; P192-L194 VanDerWaalsContact O-N 3.07Å
193D23Very low26.2Very low166 Ų166141 Ų14189%0.88880%0.798SS**  trans-53.6107.3155.1-80.1-45.3000108.2
194L27.6Very low26.4Very low129 Ų129147.2 Ų147.268%0.67581%0.81SS**  trans-106.896.4163-73.6173.1000106.7P192 F196P192-L194 PolarHBondContact O-N 2.92Å; P192-L194 VanDerWaalsContact O-N 3.07Å; L194-F196 WeakPolarHBondContact O-CD2 3.31Å; L194-F196 PolarHBondContact O-N 2.94Å; L194-F196 VanDerWaalsContact O-N 3.11Å
195T23.2Very low26.3Very low136 Ų136146 Ų14683%0.83481%0.809SS**  trans-43.8108.1161.844.40000109.9
196F26Very low26.4Very low193 Ų193141.9 Ų141.985%0.84681%0.806SS**  trans-88.7108.8164.8-86.5-88.4000107.5L194 D198L194-F196 WeakPolarHBondContact O-CD2 3.31Å; L194-F196 PolarHBondContact O-N 2.94Å; L194-F196 VanDerWaalsContact O-N 3.11Å; F196-D198 PolarHBondContact O-N 3.46Å
197D27.7Very low26.2Very low152 Ų152143.4 Ų143.481%0.81380%0.804SS**  trans-72.4121.1173-145.8-7.1000108.3T199D197-T199 PolarHBondContact O-N 3.27Å
198D27.3Very low25.9Very low158 Ų158147.1 Ų147.185%0.84581%0.808SS**  trans-71.188.2177.8-89.5-37.1000109.7F196F196-D198 PolarHBondContact O-N 3.46Å
199T29.4Very low26Very low112 Ų112146.8 Ų146.869%0.68782%0.816SS**  trans-137.599.7153.333.90000111.8D197D197-T199 PolarHBondContact O-N 3.27Å
200H31Very low25.9Very low179 Ų179146.5 Ų146.583%0.82981%0.814SS**  trans79.1103.2157.1-59.9-60.6000119.5
201S28.5Very low25.8Very low124 Ų124143.2 Ų143.287%0.86781%0.807SS**  trans-40.8134.9156.9550000115.2
202G28.2Very low26.1Very low74 Ų74149.4 Ų149.476%0.76382%0.817SS**  trans16445.6164.400000114.8E204G202-E204 PolarHBondContact O-N 3.49Å
203N27.3Very low25.9Very low159 Ų159149.1 Ų149.185%0.8582%0.818SS**  trans-9197.9173.3-90.3-10000110.7
204E29.3Very low25.8Very low193 Ų193148 Ų14890%0.90281%0.811SS**  trans-82.7105.8150.2-78-173153.700108.9G202 S206G202-E204 PolarHBondContact O-N 3.49Å; E204-S206 PolarHBondContact O-N 3.33Å
205L24.8Very low25.8Very low162 Ų162153.4 Ų153.485%0.84882%0.824SS**  trans-81.896168-83.3155.8000108.6
206S24.7Very low25.8Very low113 Ų113151.5 Ų151.579%0.7982%0.817SS**  trans-100.2148.1168.175.90000112.1E204E204-S206 PolarHBondContact O-N 3.33Å
207Y24.9Very low26Very low230 Ų230147.5 Ų147.590%0.90281%0.813SS**  trans-66.8142.1-163.7-92.8-109.9000115C209Y207-C209 PolarHBondContact O-N 2.84Å
208R19.8Very low26.5Very low227 Ų227145.1 Ų145.186%0.85781%0.805SS**  trans-80.1108.1171.2-142.4-173.9-157.1-175.95.6109.6T210R208-T210 HydrophobicContact CG-CG2 4.34Å
209C22.3Very low26.3Very low134 Ų134145.8 Ų145.891%0.90580%0.803SS**  trans-108.8112.9153.9-94.20000107.6Y207Y207-C209 PolarHBondContact O-N 2.84Å
210T26.6Very low26.2Very low124 Ų124146 Ų14676%0.76181%0.805SS**  trans-103.5119.6175.735.80000109.9R208R208-T210 HydrophobicContact CG-CG2 4.34Å
211G21.9Very low25.7Very low65 Ų65146.1 Ų146.167%0.6780%0.803SS**  trans165.160.4167.400000116.2
212H26.6Very low25.5Very low197 Ų197148.4 Ų148.491%0.91280%0.798SS**SBendtrans177.6119.7130.4-90.2-4.3000113.7
213S23.4Very low25.2Very low104 Ų104152.4 Ų152.473%0.72780%0.797SS**  trans47.697.5146.3-158.80000122
214L22.1Very low25Very low144 Ų144149.3 Ų149.375%0.75479%0.788SS**  17.5104.6121.5-67.5158.2000117.2
215Y27Very low24.7Very low241 Ų241148.8 Ų148.895%0.94579%0.79SS**  -128.1124124.7-102.9-87.2000108.5
216S22.3Very low24.7Very low97 Ų97148.3 Ų148.368%0.67878%0.783SS**  trans-80.8147.6-170.4-53.70000112.6
217S31.9Very low24.8Very low109 Ų109149.3 Ų149.376%0.76278%0.784SS**  trans-26.1151.6153.7-150.70000114.3
218P37Very low24.7Very low101 Ų101149.3 Ų149.366%0.65678%0.783SS**  -159.21675642.1-18.7000120.7
219Q24Very low24.9Very low172 Ų172147.1 Ų147.180%0.80478%0.779SS**  trans64.7113.3137.6-76.1165.6-18.100122.3
220T26.2Very low25.1Very low118 Ų118144.4 Ų144.472%0.72477%0.774SS**  -7.4119.1129.249.60000117.4
221F21.6Very low25Very low180 Ų180147.5 Ų147.579%0.78978%0.777SS**  158.4147.4125.3-103.1-89.6000110.7
222F23.5Very low25.1Very low173 Ų173149.9 Ų149.976%0.75978%0.783SS**  trans75.2104.5177.4-68.3-85.5000116.2
223E21.7Very low24.9Very low158 Ų158145.9 Ų145.974%0.73878%0.776SS**  61.6103.667.1-157.8171.2-154.300112.5
224S23Very low24.9Very low94 Ų94148.6 Ų148.666%0.65778%0.781SS**  trans5878.4142.9-49.90000118.5H226S224-H226 VanDerWaalsContact C-N 3.33Å; S224-H226 PolarHBondContact O-N 3.03Å
225L23.6Very low25Very low181 Ų181147.5 Ų147.595%0.94878%0.78SS**  trans-83.587.3149.4-116.4139.2000109.4V227L225-V227 PolarHBondContact O-N 3.33Å
226H24Very low24.9Very low152 Ų152145.4 Ų145.470%0.70478%0.776SS**  trans-44.9119160-102.3-97000111.7S224S224-H226 VanDerWaalsContact C-N 3.33Å; S224-H226 PolarHBondContact O-N 3.03Å
227V27.4Very low25.1Very low135 Ų135146.7 Ų146.782%0.81879%0.785SS**  trans-133.699132.8-177.50000108.3L225L225-V227 PolarHBondContact O-N 3.33Å
228R23.8Very low24.7Very low230 Ų230145.1 Ų145.187%0.86879%0.786SS**  trans56.289.4159.4-98.8174.2171.2172.7-2.5118.2G230R228-G230 PolarHBondContact O-N 3.06Å; R228-G230 VanDerWaalsContact O-N 3.1Å
229K22.9Very low24.2Very low181 Ų181151 Ų15179%0.78780%0.801SS**  trans-57.1101.9137.7-81.9177.5174.6171.30109.3K231K229-K231 PolarHBondContact O-N 2.89Å
230G27.1Very low24.2Very low77 Ų77145.9 Ų145.979%0.79480%0.795SS**  trans-78.393.3150.200000108R228R228-G230 PolarHBondContact O-N 3.06Å; R228-G230 VanDerWaalsContact O-N 3.1Å
231K24.3Very low24.7Very low189 Ų189147.4 Ų147.482%0.82280%0.799SS**  trans-67.3129.6165.3-77.1175.1173.2177.90108K229K229-K231 PolarHBondContact O-N 2.89Å
232S22.8Very low24.9Very low114 Ų114146.4 Ų146.480%0.79780%0.802SS**  170.3127.5127.6178.90000109.9
233C23Very low25.3Very low113 Ų113148.2 Ų148.276%0.76481%0.81SS**  trans-46.8149.8170-49.60000112.8
234I24.4Very low25.9Very low161 Ų161149.4 Ų149.483%0.82682%0.815SS**  -168.4147.7114.2-88.1150.9000109.8
235T24.3Very low26.6Very low121 Ų121149.8 Ų149.874%0.74282%0.818SS**  trans-64166.9-17139.90000117
236K24.3Very low27.5Very low198 Ų198146.6 Ų146.686%0.86180%0.798SS**SBendtrans-31.8147.3150.7-76175.8172.5177.90113.3
237S25.7Very low28.5Very low124 Ų124145.1 Ų145.187%0.86779%0.794SS**  trans73.6122.3165.574.20000116.9
238G24Very low29.3Very low75 Ų75146.3 Ų146.377%0.77380%0.796SS**  trans15878.7172.300000111.5G240G238-G240 PolarHBondContact O-N 3.33Å
239F27.3Very low30.1Very low224 Ų224138 Ų13898%0.98277%0.773SS**  trans-47.3124154.9-100.5-103.1000108.5
240G23.6Very low31.1Very low66 Ų66134.4 Ų134.468%0.6877%0.768SS**  trans-171.6105.3177.900000109.2G238 D242G238-G240 PolarHBondContact O-N 3.33Å; G240-D242 PolarHBondContact O-N 3.38Å
241N36Very low31.9Very low149 Ų149136.7 Ų136.780%0.79776%0.761SS**  trans-50.4123.6177.2-63-31.1000111
242D27.2Very low33Very low159 Ų159132.1 Ų132.185%0.8574%0.74SS**  trans-145.663.9152.3-81.9-34.2000107.8G240 E244G240-D242 PolarHBondContact O-N 3.38Å; D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.13Å
243F30Very low34.4Very low212 Ų212130.4 Ų130.493%0.9373%0.728SS**  trans-72.775.6153.8-101.6-86.2000107.5
244E35.9Very low35.4Very low182 Ų182129.5 Ų129.585%0.8572%0.715SS**  trans-138.282.4162-78.9-157.4169.900110.3D242D242-E244 PolarHBondContact O-N 2.92Å; D242-E244 VanDerWaalsContact O-N 3.13Å
245S37.2Very low36.9Very low102 Ų102126.1 Ų126.171%0.71369%0.694SS**  trans-160.858.8141.646.30000108.5I247S245-I247 PolarHBondContact O-N 3.22Å
246E43.4Very low38Very low115 Ų115123.6 Ų123.654%0.53768%0.682SS.*THydrogen-bonded Turntrans-686.9173.9-149.1-177.7-178.800112.1Y252 K255E246-Y252 HydrophobicContact CB-CD2 3.92Å; E246-Y252 HydrophobicContact CB-CE2 4.04Å; E246-Y252 HydrophobicContact CG-CD2 3.88Å; E246-Y252 HydrophobicContact CG-CE2 4.35Å; E246-Y252 WeakPolarHBondContact O-CB 3.25Å; E246-Y252 WeakPolarHBondContact O-CD2 3.46Å; E246-K255 IonicContact OE1-NZ 3.5Å; E246-K255 PolarHBondContact OE1-NZ 3.31Å; E246-K255 IonicContact OE2-NZ 2.88Å; E246-K255 PolarHBondContact OE2-NZ 3.31Å
247I44.2Very low39.2Very low120 Ų120118.5 Ų118.562%0.61566%0.663SS**THydrogen-bonded Turntrans-87.1-22.6-166.1-25.1176.9000113.8S245 Y252S245-I247 PolarHBondContact O-N 3.22Å; I247-Y252 HydrophobicContact CG2-CD1 4.07Å; I247-Y252 HydrophobicContact CG2-CE1 3.86Å
248D43.3Very low40.3Very low161 Ų161119.2 Ų119.286%0.86166%0.656SS**SBendtrans-102.37.6-174.2-75.5-23.5000114.8
249S40.9Very low41.5Very low55 Ų55122.9 Ų122.939%0.38565%0.653SS.*SBendtrans-89.4133.6173.2-166.50000110.3L251 Y252S249-L251 PolarHBondContact O-N 2.97Å; S249-Y252 WeakPolarHBondContact O-CB 3.43Å; S249-Y252 PolarHBondContact O-N 3.46Å
250P44.4Very low42.2Very low105 Ų105115.4 Ų115.468%0.68263%0.628SS**Hα-helixtrans-57.2-15.5176.120.1-30.5000113.6
251L44.6Very low43.2Very low125 Ų125118.2 Ų118.265%0.65464%0.635SS**Hα-helixtrans-71.8-27.6170.7-64.7175.3000113.7S249 L254 K255S249-L251 PolarHBondContact O-N 2.97Å; L251-L254 WeakPolarHBondContact O-CB 3.34Å; L251-L254 PolarHBondContact O-N 2.92Å; L251-K255 PolarHBondContact O-N 3.3Å
252Y46.6Very low43.5Very low94 Ų94118.8 Ų118.837%0.36963%0.633SS.*Hα-helixtrans-69.9-36.2176.6-164.6-100.5000112.1E246 I247 S249 L254 K255 S256E246-Y252 HydrophobicContact CB-CD2 3.92Å; E246-Y252 HydrophobicContact CB-CE2 4.04Å; E246-Y252 HydrophobicContact CG-CD2 3.88Å; E246-Y252 HydrophobicContact CG-CE2 4.35Å; E246-Y252 WeakPolarHBondContact O-CB 3.25Å; E246-Y252 WeakPolarHBondContact O-CD2 3.46Å; I247-Y252 HydrophobicContact CG2-CD1 4.07Å; I247-Y252 HydrophobicContact CG2-CE1 3.86Å; S249-Y252 WeakPolarHBondContact O-CB 3.43Å; S249-Y252 PolarHBondContact O-N 3.46Å; Y252-L254 PolarHBondContact O-N 3.44Å; Y252-K255 PolarHBondContact O-N 2.82Å; Y252-S256 WeakPolarHBondContact O-CB 3.33Å; Y252-S256 PolarHBondContact O-N 3.31Å
253S52Low44.6Very low78 Ų78117.8 Ų117.855%0.54563%0.632SS.*Hα-helixtrans-59.8-37169.4-77.80000111.7I257S253-I257 WeakPolarHBondContact O-CB 3.38Å; S253-I257 VanDerWaalsContact O-CD1 3.25Å; S253-I257 WeakPolarHBondContact O-CD1 3.22Å; S253-I257 WeakPolarHBondContact O-CG1 3.31Å; S253-I257 PolarHBondContact O-N 3.44Å
254L44.1Very low45.5Very low93 Ų93110.2 Ų110.249%0.48760%0.603SS.*Hα-helixtrans-69.5-40.3175.1-101.3150.4000112.6L251 Y252 I257 L258L251-L254 WeakPolarHBondContact O-CB 3.34Å; L251-L254 PolarHBondContact O-N 2.92Å; Y252-L254 PolarHBondContact O-N 3.44Å; L254-I257 PolarHBondContact O-N 2.88Å; L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.47Å; L254-L258 PolarHBondContact O-N 2.95Å
255K55Low46.4Very low90 Ų90105.3 Ų105.339%0.39159%0.587SS.*Hα-helixtrans-65.6-42.2175.7-165.1174.4178.8-175.60111.8E246 L251 Y252 I257 L258 E259E246-K255 IonicContact OE1-NZ 3.5Å; E246-K255 PolarHBondContact OE1-NZ 3.31Å; E246-K255 IonicContact OE2-NZ 2.88Å; E246-K255 PolarHBondContact OE2-NZ 3.31Å; L251-K255 PolarHBondContact O-N 3.3Å; Y252-K255 PolarHBondContact O-N 2.82Å; K255-I257 PolarHBondContact O-N 2.96Å; K255-L258 PolarHBondContact O-N 2.94Å; K255-E259 PolarHBondContact O-N 3.46Å
256S48.3Very low47.7Very low69 Ų69108.7 Ų108.748%0.48359%0.589SS.*Hα-helixtrans-62.7-37.8173.9174.60000113.1Y252 S260Y252-S256 WeakPolarHBondContact O-CB 3.33Å; Y252-S256 PolarHBondContact O-N 3.31Å; S256-S260 PolarHBondContact O-N 2.89Å
257I48.8Very low49.1Very low91 Ų91105.7 Ų105.747%0.46759%0.589SS.*Hα-helixtrans-70.6-34.1175.2-69162.8000111.5S253 L254 K255 V264S253-I257 WeakPolarHBondContact O-CB 3.38Å; S253-I257 VanDerWaalsContact O-CD1 3.25Å; S253-I257 WeakPolarHBondContact O-CD1 3.22Å; S253-I257 WeakPolarHBondContact O-CG1 3.31Å; S253-I257 PolarHBondContact O-N 3.44Å; L254-I257 PolarHBondContact O-N 2.88Å; K255-I257 PolarHBondContact O-N 2.96Å; I257-V264 HydrophobicContact CG2-CG2 4.02Å
258L50.5Low50.3Low139 Ų139105.7 Ų105.773%0.72859%0.586SS**Hα-helixtrans-75.7-30.9177.6-72.4169.5000113L254 K255L254-L258 VanDerWaalsContact O-CG 3.31Å; L254-L258 WeakPolarHBondContact O-CG 3.47Å; L254-L258 PolarHBondContact O-N 2.95Å; K255-L258 PolarHBondContact O-N 2.94Å
259E48.5Very low51.7Low152 Ų152102.5 Ų102.571%0.7157%0.569SS**Hα-helixtrans-82-13178.1-79.4-178.8171.100114.3K255K255-E259 PolarHBondContact O-N 3.46Å
260S41.3Very low53.4Low66 Ų66104.1 Ų104.146%0.46257%0.573SS.*  trans-122.599.4175.5-171.80000111.3S256 Q262S256-S260 PolarHBondContact O-N 2.89Å; S260-Q262 PolarHBondContact O-N 3.14Å
261P44.2Very low55Low125 Ų125102.7 Ų102.781%0.81257%0.565SS**  trans-80.556.7-179.934.7-33.2000110.4
262Q44.1Very low56.5Low161 Ų161102.5 Ų102.575%0.75256%0.559SS**SBendtrans-91.2103.2158.4-94.3-170.1-8.700108.1S260 V264S260-Q262 PolarHBondContact O-N 3.14Å; Q262-V264 PolarHBondContact O-N 3.48Å
263V50Low58.1Low138 Ų138101.9 Ų101.984%0.83656%0.561SS**  trans-9.582.8164.4-167.60000113.4P265V263-P265 WeakPolarHBondContact O-CD 3.16Å
264V48.8Very low59.6Low54 Ų54101.9 Ų101.933%0.32756%0.555SS.*  trans-64.4123.11711770000106.5I257 Q262 K266 Q268I257-V264 HydrophobicContact CG2-CG2 4.02Å; Q262-V264 PolarHBondContact O-N 3.48Å; V264-K266 PolarHBondContact O-N 3.01Å; V264-Q268 HydrophobicContact CG1-CB 3.93Å
265P53.3Low61.5Low78 Ų78101.6 Ų101.651%0.50655%0.552SS.*  trans-55.6131.2-178-24.733.1000110.3V263 G267 Q268 L269V263-P265 WeakPolarHBondContact O-CD 3.16Å; P265-G267 PolarHBondContact O-N 3.28Å; P265-Q268 PolarHBondContact O-N 2.97Å; P265-L269 PolarHBondContact O-N 3.4Å
266K65.4Low63Low173 Ų173102.2 Ų102.275%0.75256%0.558SS**Hα-helixtrans-47.2-30.5-177.4-157.6177.1-175.5-179.30113.3V264 L270V264-K266 PolarHBondContact O-N 3.01Å; K266-L270 WeakPolarHBondContact O-CG 3.28Å; K266-L270 PolarHBondContact O-N 3.28Å
267G73.4Confident64.9Low52 Ų52106.2 Ų106.254%0.53656%0.562SS.*Hα-helixtrans-66.5-38.117500000115.1P265 S271P265-G267 PolarHBondContact O-N 3.28Å; G267-S271 WeakPolarHBondContact O-CB 3.48Å; G267-S271 PolarHBondContact O-N 3.46Å
268Q69.6Low66.8Low120 Ų120104.5 Ų104.556%0.56156%0.558SS**Hα-helixtrans-69.2-38.2174.8-79.3-178.2-11.500111.4V264 P265 S271 K272V264-Q268 HydrophobicContact CG1-CB 3.93Å; P265-Q268 PolarHBondContact O-N 2.97Å; Q268-S271 PolarHBondContact O-N 2.94Å; Q268-K272 WeakPolarHBondContact O-CB 3.46Å; Q268-K272 WeakPolarHBondContact O-CG 3.27Å; Q268-K272 PolarHBondContact O-N 3.44Å
269L71.1Confident68.6Low95 Ų95102.5 Ų102.550%0.49755%0.548SS..Hα-helixtrans-63.7-43.9176-153.5106.9000111.4P265 K272 L273P265-L269 PolarHBondContact O-N 3.4Å; L269-K272 PolarHBondContact O-N 3.25Å; L269-L273 HydrophobicContact CD2-CD1 4.25Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.41Å
270L77.7Confident70.5Confident89 Ų8998.4 Ų98.447%0.46654%0.536SS..Hα-helixtrans-63.7-45.8175.4-74.4169.7000112.1K266 K272 L273 D274K266-L270 WeakPolarHBondContact O-CG 3.28Å; K266-L270 PolarHBondContact O-N 3.28Å; L270-K272 VanDerWaalsContact C-N 3.28Å; L270-K272 PolarHBondContact O-N 2.82Å; L270-L273 PolarHBondContact O-N 3.5Å; L270-L273 VanDerWaalsContact O-N 3.15Å; L270-D274 PolarHBondContact O-N 2.82Å
271S77.7Confident72.8Confident74 Ų7499 Ų9952%0.51754%0.54SS..Hα-helixtrans-59.3-39176.6-177.50000112.2G267 Q268 D274 E275G267-S271 WeakPolarHBondContact O-CB 3.48Å; G267-S271 PolarHBondContact O-N 3.46Å; Q268-S271 PolarHBondContact O-N 2.94Å; S271-D274 PolarHBondContact O-N 3.3Å; S271-E275 WeakPolarHBondContact O-CB 3.49Å; S271-E275 PolarHBondContact O-N 2.86Å
272K77.2Confident75Confident121 Ų12198.8 Ų98.853%0.52653%0.527SS..Hα-helixtrans-71.1-37176.4-72.3-74.1165.2-161.20112.2Q268 L269 L270 E275 I276Q268-K272 WeakPolarHBondContact O-CB 3.46Å; Q268-K272 WeakPolarHBondContact O-CG 3.27Å; Q268-K272 PolarHBondContact O-N 3.44Å; L269-K272 PolarHBondContact O-N 3.25Å; L270-K272 VanDerWaalsContact C-N 3.28Å; L270-K272 PolarHBondContact O-N 2.82Å; K272-E275 WeakPolarHBondContact CD-OE2 3.34Å; K272-E275 IonicContact NZ-OE1 3.3Å; K272-E275 IonicContact NZ-OE2 3.62Å; K272-E275 PolarHBondContact NZ-OE2 3.32Å; K272-E275 PolarHBondContact O-N 2.81Å; K272-I276 WeakPolarHBondContact O-CB 3.46Å; K272-I276 VanDerWaalsContact O-CG1 3.22Å; K272-I276 WeakPolarHBondContact O-CG1 3.44Å; K272-I276 PolarHBondContact O-N 3.01Å
273L80.1Confident77.2Confident81 Ų8196.8 Ų96.842%0.42452%0.521SS..Hα-helixtrans-65.4-38.2172.9-75170.2000112.3L269 L270 I276 R277L269-L273 HydrophobicContact CD2-CD1 4.25Å; L269-L273 WeakPolarHBondContact O-CG 3.41Å; L269-L273 PolarHBondContact O-N 3.41Å; L270-L273 PolarHBondContact O-N 3.5Å; L270-L273 VanDerWaalsContact O-N 3.15Å; L273-I276 PolarHBondContact O-N 2.79Å; L273-R277 WeakPolarHBondContact O-CB 3.43Å; L273-R277 PolarHBondContact O-N 2.81Å
274D82.6Confident79.1Confident78 Ų7893.5 Ų93.542%0.41750%0.504SS..Hα-helixtrans-68.6-39.1174.1-71.8-26000111.5L270 S271 R277 S278L270-D274 PolarHBondContact O-N 2.82Å; S271-D274 PolarHBondContact O-N 3.3Å; D274-R277 PolarHBondContact O-N 2.91Å; D274-R277 IonicContact OD1-CZ 2.73Å; D274-R277 IonicContact OD1-NH1 3.98Å; D274-R277 PolarHBondContact OD1-NH1 3.26Å; D274-R277 IonicContact OD1-NH2 2.73Å; D274-R277 PolarHBondContact OD1-NH2 3.33Å; D274-S278 WeakPolarHBondContact O-CB 3.49Å; D274-S278 PolarHBondContact O-N 3.46Å
275E84.4Confident81.1Confident88 Ų8896.7 Ų96.741%0.41152%0.515SS..Hα-helixtrans-61-45172-171.6179.1-174.800111.2S271 K272 R277 S278 L279S271-E275 WeakPolarHBondContact O-CB 3.49Å; S271-E275 PolarHBondContact O-N 2.86Å; K272-E275 WeakPolarHBondContact CD-OE2 3.34Å; K272-E275 IonicContact NZ-OE1 3.3Å; K272-E275 IonicContact NZ-OE2 3.62Å; K272-E275 PolarHBondContact NZ-OE2 3.32Å; K272-E275 PolarHBondContact O-N 2.81Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.4Å; E275-S278 PolarHBondContact O-N 2.95Å; E275-L279 HydrophobicContact CG-CD1 4.14Å; E275-L279 WeakPolarHBondContact O-CB 3.29Å; E275-L279 VanDerWaalsContact O-CG 3.31Å; E275-L279 WeakPolarHBondContact O-CG 3.49Å; E275-L279 PolarHBondContact O-N 3.3Å
276I85.2Confident82.8Confident102 Ų10297.4 Ų97.452%0.52352%0.518SS..Hα-helixtrans-61.3-42.3174.4-70.2164.3000110.9K272 L273 L279 S280K272-I276 WeakPolarHBondContact O-CB 3.46Å; K272-I276 VanDerWaalsContact O-CG1 3.22Å; K272-I276 WeakPolarHBondContact O-CG1 3.44Å; K272-I276 PolarHBondContact O-N 3.01Å; L273-I276 PolarHBondContact O-N 2.79Å; I276-L279 PolarHBondContact O-N 2.97Å; I276-S280 VanDerWaalsContact O-CB 3.29Å; I276-S280 WeakPolarHBondContact O-CB 3.3Å; I276-S280 PolarHBondContact O-N 3.5Å
277R88.2Confident84Confident153 Ų15394.3 Ų94.358%0.57751%0.506SS*.Hα-helixtrans-63.4-43.2176.5-123.7-178.5-69.21218.5111.4L273 D274 E275 S280 S281L273-R277 WeakPolarHBondContact O-CB 3.43Å; L273-R277 PolarHBondContact O-N 2.81Å; D274-R277 PolarHBondContact O-N 2.91Å; D274-R277 IonicContact OD1-CZ 2.73Å; D274-R277 IonicContact OD1-NH1 3.98Å; D274-R277 PolarHBondContact OD1-NH1 3.26Å; D274-R277 IonicContact OD1-NH2 2.73Å; D274-R277 PolarHBondContact OD1-NH2 3.33Å; E275-R277 VanDerWaalsContact C-N 3.35Å; E275-R277 PolarHBondContact O-N 3.4Å; R277-S280 PolarHBondContact O-N 3.27Å; R277-S281 PolarHBondContact O-N 3.45Å
278S89Confident84.9Confident55 Ų5597.4 Ų97.439%0.38551%0.506SS..Hα-helixtrans-63.5-43.8175175.50000112D274 E275 S281 K282D274-S278 WeakPolarHBondContact O-CB 3.49Å; D274-S278 PolarHBondContact O-N 3.46Å; E275-S278 PolarHBondContact O-N 2.95Å; S278-S281 PolarHBondContact O-N 3.49Å; S278-K282 WeakPolarHBondContact O-CG 3.49Å; S278-K282 PolarHBondContact O-N 2.92Å
279L87.8Confident85.9Confident98 Ų9895.6 Ų95.651%0.51350%0.5SS..Hα-helixtrans-67.6-39178.3-74.2171.7000111.2E275 I276 K282 L283E275-L279 HydrophobicContact CG-CD1 4.14Å; E275-L279 WeakPolarHBondContact O-CB 3.29Å; E275-L279 VanDerWaalsContact O-CG 3.31Å; E275-L279 WeakPolarHBondContact O-CG 3.49Å; E275-L279 PolarHBondContact O-N 3.3Å; I276-L279 PolarHBondContact O-N 2.97Å; L279-K282 PolarHBondContact O-N 3.37Å; L279-L283 VanDerWaalsContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.18Å
280S89.8Confident86.9Confident66 Ų6698.3 Ų98.346%0.46250%0.504SS..Hα-helixtrans-62.4-43.8174.1-173.20000111.6I276 R277 L283 S284I276-S280 VanDerWaalsContact O-CB 3.29Å; I276-S280 WeakPolarHBondContact O-CB 3.3Å; I276-S280 PolarHBondContact O-N 3.5Å; R277-S280 PolarHBondContact O-N 3.27Å; S280-L283 PolarHBondContact O-N 3.4Å; S280-S284 PolarHBondContact O-N 3.48Å; S280-S284 PolarHBondContact O-OG 2.79Å
281S88.7Confident87.5Confident78 Ų7899 Ų9955%0.54551%0.506SS..Hα-helixtrans-62.5-43.9176.2-170.60000111.7R277 S278 S284 E285R277-S281 PolarHBondContact O-N 3.45Å; S278-S281 PolarHBondContact O-N 3.49Å; S281-S284 PolarHBondContact O-N 3.39Å; S281-E285 PolarHBondContact O-N 2.92Å
282K90Very high88.1Confident121 Ų12199.9 Ų99.953%0.52650%0.501SS..Hα-helixtrans-64.5-38.9175.7-73.5177.8-179.6-178.10112.1S278 L279 E285 V286S278-K282 WeakPolarHBondContact O-CG 3.49Å; S278-K282 PolarHBondContact O-N 2.92Å; L279-K282 PolarHBondContact O-N 3.37Å; K282-E285 PolarHBondContact O-N 3.39Å; K282-V286 VanDerWaalsContact O-CG2 3.3Å; K282-V286 WeakPolarHBondContact O-CG2 3.46Å; K282-V286 PolarHBondContact O-N 3.41Å
283L90.5Very high88.8Confident119 Ų11998.7 Ų98.762%0.62350%0.501SS*.Hα-helixtrans-64.1-42.3176.4-175.966.2000111L279 S280 V286 Q287L279-L283 VanDerWaalsContact O-CB 3.32Å; L279-L283 WeakPolarHBondContact O-CB 3.41Å; L279-L283 PolarHBondContact O-N 3.18Å; S280-L283 PolarHBondContact O-N 3.4Å; L283-V286 PolarHBondContact O-N 2.98Å; L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 PolarHBondContact O-N 3.45Å
284S89.5Confident89.4Confident69 Ų6998.9 Ų98.948%0.48350%0.5SS..Hα-helixtrans-64-39.3174.3-62.60000112.7S280 S281 Q287 H288S280-S284 PolarHBondContact O-N 3.48Å; S280-S284 PolarHBondContact O-OG 2.79Å; S281-S284 PolarHBondContact O-N 3.39Å; S284-Q287 PolarHBondContact O-N 3.15Å; S284-H288 WeakPolarHBondContact O-CB 3.45Å; S284-H288 PolarHBondContact O-N 2.86Å
285E91.5Very high89.8Confident121 Ų12199.5 Ų99.557%0.56551%0.51SS*.Hα-helixtrans-63.8-46.2174.4-176.3179.6-175.400111.7S281 K282 Q287 H288 L289S281-E285 PolarHBondContact O-N 2.92Å; K282-E285 PolarHBondContact O-N 3.39Å; E285-Q287 VanDerWaalsContact C-N 3.31Å; E285-Q287 PolarHBondContact O-N 2.88Å; E285-H288 PolarHBondContact O-N 3.32Å; E285-L289 HydrophobicContact CG-CD1 4.3Å; E285-L289 WeakPolarHBondContact O-CG 3.44Å; E285-L289 PolarHBondContact O-N 3.48Å
286V89.5Confident90.2Very high93 Ų9399.8 Ų99.856%0.56451%0.511SS*.Hα-helixtrans-62.1-39.3175.5170.80000111.3K282 L283 L289 Y290K282-V286 VanDerWaalsContact O-CG2 3.3Å; K282-V286 WeakPolarHBondContact O-CG2 3.46Å; K282-V286 PolarHBondContact O-N 3.41Å; L283-V286 PolarHBondContact O-N 2.98Å; V286-L289 PolarHBondContact O-N 3.29Å; V286-Y290 WeakPolarHBondContact O-CB 3.45Å; V286-Y290 PolarHBondContact O-N 3.45Å
287Q90.5Very high90.4Very high107 Ų107100.6 Ų100.650%0.552%0.516SS..Hα-helixtrans-65.6-44.2176.5-173.4178.5-13.400111.7L283 S284 E285 Y290 E291L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 PolarHBondContact O-N 3.45Å; S284-Q287 PolarHBondContact O-N 3.15Å; E285-Q287 VanDerWaalsContact C-N 3.31Å; E285-Q287 PolarHBondContact O-N 2.88Å; Q287-Y290 WeakPolarHBondContact O-CB 3.4Å; Q287-Y290 PolarHBondContact O-N 3.25Å; Q287-E291 PolarHBondContact NE2-OE1 3.06Å; Q287-E291 VanDerWaalsContact NE2-OE1 3.13Å; Q287-E291 WeakPolarHBondContact O-CG 3.43Å; Q287-E291 PolarHBondContact O-N 3.47Å
288H91.8Very high90.6Very high118 Ų11896.5 Ų96.555%0.54651%0.511SS..Hα-helixtrans-60.3-46.6174.9-179.6-80.5000111.6S284 E285 Y290 E291 E292S284-H288 WeakPolarHBondContact O-CB 3.45Å; S284-H288 PolarHBondContact O-N 2.86Å; E285-H288 PolarHBondContact O-N 3.32Å; H288-Y290 VanDerWaalsContact C-N 3.29Å; H288-Y290 PolarHBondContact O-N 3.25Å; H288-E291 PolarHBondContact O-N 3.29Å; H288-E292 IonicContact CE1-OE2 2.77Å; H288-E292 IonicContact ND1-OE2 3.09Å; H288-E292 WeakPolarHBondContact O-CB 3.35Å; H288-E292 PolarHBondContact O-N 2.97Å
289L90.2Very high90.9Very high81 Ų81100.4 Ų100.442%0.42452%0.517SS..Hα-helixtrans-63.1-34.5176-71171.6000112.3E285 V286 N293E285-L289 HydrophobicContact CG-CD1 4.3Å; E285-L289 WeakPolarHBondContact O-CG 3.44Å; E285-L289 PolarHBondContact O-N 3.48Å; V286-L289 PolarHBondContact O-N 3.29Å; L289-N293 VanDerWaalsContact O-CB 3.26Å; L289-N293 WeakPolarHBondContact O-CB 3.29Å; L289-N293 PolarHBondContact O-N 3.27Å; L289-N293 PolarHBondContact O-ND2 2.97Å
290Y92.4Very high91.1Very high152 Ų152100.2 Ų100.260%0.59652%0.516SS*.Hα-helixtrans-67.5-44.9174.6-176.8-96.4000111.6V286 Q287 H288 N293 M294V286-Y290 WeakPolarHBondContact O-CB 3.45Å; V286-Y290 PolarHBondContact O-N 3.45Å; Q287-Y290 WeakPolarHBondContact O-CB 3.4Å; Q287-Y290 PolarHBondContact O-N 3.25Å; H288-Y290 VanDerWaalsContact C-N 3.29Å; H288-Y290 PolarHBondContact O-N 3.25Å; Y290-N293 PolarHBondContact O-N 3.14Å; Y290-M294 HydrophobicContact CD1-CG 4.19Å; Y290-M294 HydrophobicContact CE1-CG 3.83Å; Y290-M294 HydrophobicContact CE2-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CB 3.47Å; Y290-M294 VanDerWaalsContact O-CG 3.24Å; Y290-M294 WeakPolarHBondContact O-CG 3.17Å; Y290-M294 PolarHBondContact O-N 3.41Å
291E91.1Very high91.2Very high105 Ų105100.4 Ų100.449%0.49152%0.518SS..Hα-helixtrans-61.9-44.9175.5-74.4171.5-163.400111.6Q287 H288 M294 C295Q287-E291 PolarHBondContact NE2-OE1 3.06Å; Q287-E291 VanDerWaalsContact NE2-OE1 3.13Å; Q287-E291 WeakPolarHBondContact O-CG 3.43Å; Q287-E291 PolarHBondContact O-N 3.47Å; H288-E291 PolarHBondContact O-N 3.29Å; E291-M294 PolarHBondContact O-N 2.83Å; E291-C295 PolarHBondContact O-N 3.39Å; E291-C295 PolarHBondContact O-SG 3.33Å
292E91.2Very high91.3Very high92 Ų92100.3 Ų100.343%0.4352%0.517SS..Hα-helixtrans-60.6-48.5175.8-174.6171.8-164.200111.8H288 M294 C295 E296H288-E292 IonicContact CE1-OE2 2.77Å; H288-E292 IonicContact ND1-OE2 3.09Å; H288-E292 WeakPolarHBondContact O-CB 3.35Å; H288-E292 PolarHBondContact O-N 2.97Å; E292-M294 VanDerWaalsContact C-N 3.31Å; E292-M294 PolarHBondContact O-N 2.95Å; E292-C295 WeakPolarHBondContact O-CB 3.19Å; E292-C295 PolarHBondContact O-N 3.44Å; E292-E296 PolarHBondContact O-N 2.84Å
293N91Very high91.4Very high95 Ų9599.7 Ų99.751%0.50852%0.516SS..Hα-helixtrans-60.7-38.4176-79-43.6000112.3L289 Y290 E296 L297L289-N293 VanDerWaalsContact O-CB 3.26Å; L289-N293 WeakPolarHBondContact O-CB 3.29Å; L289-N293 PolarHBondContact O-N 3.27Å; L289-N293 PolarHBondContact O-ND2 2.97Å; Y290-N293 PolarHBondContact O-N 3.14Å; N293-E296 PolarHBondContact O-N 3.19Å; N293-L297 VanDerWaalsContact O-CB 3.27Å; N293-L297 WeakPolarHBondContact O-CB 3.27Å; N293-L297 PolarHBondContact O-N 3.37Å
294M92.1Very high91.4Very high85 Ų8599.7 Ų99.742%0.41952%0.516SS..Hα-helixtrans-68.1-37.4176.6-73.7-62.2-66.400112.1Y290 E291 E292 S298Y290-M294 HydrophobicContact CD1-CG 4.19Å; Y290-M294 HydrophobicContact CE1-CG 3.83Å; Y290-M294 HydrophobicContact CE2-CG 4.46Å; Y290-M294 WeakPolarHBondContact O-CB 3.47Å; Y290-M294 VanDerWaalsContact O-CG 3.24Å; Y290-M294 WeakPolarHBondContact O-CG 3.17Å; Y290-M294 PolarHBondContact O-N 3.41Å; E291-M294 PolarHBondContact O-N 2.83Å; E292-M294 VanDerWaalsContact C-N 3.31Å; E292-M294 PolarHBondContact O-N 2.95Å; M294-S298 WeakPolarHBondContact O-CB 3.46Å; M294-S298 PolarHBondContact O-N 2.95Å; M294-S298 PolarHBondContact O-OG 2.93Å
295C92.2Very high91.6Very high92 Ų92102.5 Ų102.562%0.62252%0.521SS*.Hα-helixtrans-64.8-45172.1-74.30000111.7E291 E292 S298 R299E291-C295 PolarHBondContact O-N 3.39Å; E291-C295 PolarHBondContact O-SG 3.33Å; E292-C295 WeakPolarHBondContact O-CB 3.19Å; E292-C295 PolarHBondContact O-N 3.44Å; C295-S298 PolarHBondContact O-N 2.96Å; C295-R299 WeakPolarHBondContact O-CB 3.49Å; C295-R299 PolarHBondContact O-N 3.38Å
296E91.2Very high91.4Very high94 Ų9499.8 Ų99.844%0.43952%0.52SS..Hα-helixtrans-63.6-43.4176-73.7-163.1152.400112.5E292 N293 S298 R299 L300E292-E296 PolarHBondContact O-N 2.84Å; N293-E296 PolarHBondContact O-N 3.19Å; E296-S298 VanDerWaalsContact C-N 3.31Å; E296-S298 PolarHBondContact O-N 3.17Å; E296-R299 WeakPolarHBondContact O-CB 3.42Å; E296-R299 PolarHBondContact O-N 3.3Å; E296-L300 WeakPolarHBondContact O-CB 3.46Å; E296-L300 WeakPolarHBondContact O-CG 3.38Å; E296-L300 PolarHBondContact O-N 2.87Å
297L91.3Very high91.5Very high118 Ų11898.9 Ų98.962%0.61852%0.517SS*.Hα-helixtrans-62.7-39.7177.6-159.9112.6000111.3N293 S301N293-L297 VanDerWaalsContact O-CB 3.27Å; N293-L297 WeakPolarHBondContact O-CB 3.27Å; N293-L297 PolarHBondContact O-N 3.37Å; L297-S301 VanDerWaalsContact O-CB 3.25Å; L297-S301 WeakPolarHBondContact O-CB 3.23Å; L297-S301 PolarHBondContact O-N 3.43Å
298S91.7Very high91.5Very high67 Ų6797.8 Ų97.847%0.46951%0.512SS..Hα-helixtrans-65.7-40.1174.7-58.90000112M294 C295 E296 S302M294-S298 WeakPolarHBondContact O-CB 3.46Å; M294-S298 PolarHBondContact O-N 2.95Å; M294-S298 PolarHBondContact O-OG 2.93Å; C295-S298 PolarHBondContact O-N 2.96Å; E296-S298 VanDerWaalsContact C-N 3.31Å; E296-S298 PolarHBondContact O-N 3.17Å; S298-S302 WeakPolarHBondContact O-CB 3.33Å; S298-S302 PolarHBondContact O-N 2.85Å; S298-S302 PolarHBondContact O-OG 3.28Å
299R94.1Very high91.5Very high138 Ų13897.7 Ų97.752%0.52151%0.514SS..Hα-helixtrans-63.9-49.3175.4-170.2-172.871.572.40.5111.3C295 E296 S302 E303C295-R299 WeakPolarHBondContact O-CB 3.49Å; C295-R299 PolarHBondContact O-N 3.38Å; E296-R299 WeakPolarHBondContact O-CB 3.42Å; E296-R299 PolarHBondContact O-N 3.3Å; R299-S302 PolarHBondContact O-N 2.68Å; R299-E303 IonicContact CZ-OE2 2.85Å; R299-E303 IonicContact NH1-OE2 3.11Å; R299-E303 PolarHBondContact NH1-OE2 3.48Å; R299-E303 WeakPolarHBondContact O-CB 3.4Å; R299-E303 PolarHBondContact O-N 3.47Å
300L92.5Very high91.5Very high93 Ų93100.8 Ų100.849%0.48752%0.524SS..Hα-helixtrans-64.6-38.4178.8-72.4173000112.1E296 E303 L304E296-L300 WeakPolarHBondContact O-CB 3.46Å; E296-L300 WeakPolarHBondContact O-CG 3.38Å; E296-L300 PolarHBondContact O-N 2.87Å; L300-E303 PolarHBondContact O-N 2.93Å; L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 PolarHBondContact O-N 3.44Å
301S91.5Very high91.4Very high71 Ų7199.8 Ų99.850%0.49752%0.519SS..Hα-helixtrans-63.2-42.6174.4-178.50000111.8L297 L304 Q305L297-S301 VanDerWaalsContact O-CB 3.25Å; L297-S301 WeakPolarHBondContact O-CB 3.23Å; L297-S301 PolarHBondContact O-N 3.43Å; S301-L304 PolarHBondContact O-N 3.02Å; S301-Q305 WeakPolarHBondContact O-CB 3.47Å; S301-Q305 PolarHBondContact O-N 3.03Å
302S91.3Very high91.4Very high75 Ų7599.1 Ų99.152%0.52451%0.514SS..Hα-helixtrans-65.2-41176-57.80000112S298 R299 Q305 A306S298-S302 WeakPolarHBondContact O-CB 3.33Å; S298-S302 PolarHBondContact O-N 2.85Å; S298-S302 PolarHBondContact O-OG 3.28Å; R299-S302 PolarHBondContact O-N 2.68Å; S302-Q305 PolarHBondContact O-N 3.45Å; S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 3.3Å
303E91.4Very high91.4Very high108 Ų10899 Ų9951%0.50551%0.514SS..Hα-helixtrans-67.6-40177.6-169.3169.7-173.500112.1R299 L300 A306 S307R299-E303 IonicContact CZ-OE2 2.85Å; R299-E303 IonicContact NH1-OE2 3.11Å; R299-E303 PolarHBondContact NH1-OE2 3.48Å; R299-E303 WeakPolarHBondContact O-CB 3.4Å; R299-E303 PolarHBondContact O-N 3.47Å; L300-E303 PolarHBondContact O-N 2.93Å; E303-A306 PolarHBondContact O-N 2.92Å; E303-S307 WeakPolarHBondContact O-CB 3.48Å; E303-S307 PolarHBondContact O-N 3.46Å
304L91.7Very high91.1Very high119 Ų11997.5 Ų97.562%0.62351%0.508SS*.Hα-helixtrans-62.1-44.6172.9-17965000111.4L300 S301 S307 E308L300-L304 WeakPolarHBondContact O-CB 3.46Å; L300-L304 PolarHBondContact O-N 3.44Å; S301-L304 PolarHBondContact O-N 3.02Å; L304-S307 PolarHBondContact O-N 2.98Å; L304-E308 WeakPolarHBondContact O-CB 3.48Å; L304-E308 PolarHBondContact O-N 2.96Å
305Q92.6Very high91Very high129 Ų12997 Ų9760%0.60350%0.504SS*.Hα-helixtrans-63.8-42.7177.6-171.2179.5-2.400111.7S301 S302 E308 M309S301-Q305 WeakPolarHBondContact O-CB 3.47Å; S301-Q305 PolarHBondContact O-N 3.03Å; S302-Q305 PolarHBondContact O-N 3.45Å; Q305-E308 PolarHBondContact O-N 3.42Å; Q305-M309 WeakPolarHBondContact O-CG 3.49Å; Q305-M309 PolarHBondContact O-N 3.29Å
306A89.3Confident90.9Very high64 Ų6496.8 Ų96.853%0.52950%0.496SS..Hα-helixtrans-63-41.8175.200000112.1S302 E303 M309 K310S302-A306 WeakPolarHBondContact O-CB 3.49Å; S302-A306 PolarHBondContact O-N 3.3Å; E303-A306 PolarHBondContact O-N 2.92Å; A306-M309 PolarHBondContact O-N 2.99Å; A306-K310 PolarHBondContact O-N 3.02Å
307S89.6Confident90.8Very high74 Ų7498.9 Ų98.952%0.51750%0.5SS..Hα-helixtrans-63.9-41.4175.3-173.30000112.1E303 L304 K310 R311E303-S307 WeakPolarHBondContact O-CB 3.48Å; E303-S307 PolarHBondContact O-N 3.46Å; L304-S307 PolarHBondContact O-N 2.98Å; S307-K310 PolarHBondContact O-N 3.18Å; S307-R311 WeakPolarHBondContact O-CB 3.39Å; S307-R311 PolarHBondContact O-N 3.33Å
308E91.7Very high90.5Very high83 Ų8399 Ų9939%0.38850%0.501SS..Hα-helixtrans-67-38.4177.5-160.1-173.6153.100112.3L304 Q305 R311 K312L304-E308 WeakPolarHBondContact O-CB 3.48Å; L304-E308 PolarHBondContact O-N 2.96Å; Q305-E308 PolarHBondContact O-N 3.42Å; E308-R311 PolarHBondContact O-N 3.41Å; E308-K312 WeakPolarHBondContact O-CG 3.44Å; E308-K312 PolarHBondContact O-N 3.27Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.45Å; E308-K312 IonicContact OE1-NZ 3.88Å; E308-K312 PolarHBondContact OE1-NZ 3.43Å
309M91.1Very high90.4Very high117 Ų117101.6 Ų101.658%0.57650%0.504SS*.Hα-helixtrans-62.8-44.8172.8-73.2-59.7-65.900111.6Q305 A306 R311 K312 E313Q305-M309 WeakPolarHBondContact O-CG 3.49Å; Q305-M309 PolarHBondContact O-N 3.29Å; A306-M309 PolarHBondContact O-N 2.99Å; M309-R311 VanDerWaalsContact C-N 3.33Å; M309-R311 PolarHBondContact O-N 3.34Å; M309-K312 PolarHBondContact O-N 3.43Å; M309-E313 PolarHBondContact O-N 2.77Å
310K91Very high90.2Very high146 Ų146102.3 Ų102.364%0.63551%0.506SS*.Hα-helixtrans-61.8-40.6175.4-167.3176.9-177.2179.60111.7A306 S307 E313 T314A306-K310 PolarHBondContact O-N 3.02Å; S307-K310 PolarHBondContact O-N 3.18Å; K310-E313 PolarHBondContact O-N 3.44Å; K310-T314 WeakPolarHBondContact O-CG2 3.39Å; K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 2.73Å
311R89Confident90Very high131 Ų131106 Ų10649%0.49451%0.514SS..Hα-helixtrans-60.9-48.5174.8-170.9-175.766.980.3-0.6111.4S307 E308 M309 E313 T314 E315S307-R311 WeakPolarHBondContact O-CB 3.39Å; S307-R311 PolarHBondContact O-N 3.33Å; E308-R311 PolarHBondContact O-N 3.41Å; M309-R311 VanDerWaalsContact C-N 3.33Å; M309-R311 PolarHBondContact O-N 3.34Å; R311-E313 VanDerWaalsContact C-N 3.34Å; R311-E313 PolarHBondContact O-N 2.99Å; R311-T314 WeakPolarHBondContact CA-OG1 3.24Å; R311-T314 PolarHBondContact O-N 2.98Å; R311-T314 PolarHBondContact O-OG1 3.1Å; R311-E315 IonicContact NH1-OE2 3.84Å; R311-E315 WeakPolarHBondContact O-CB 3.37Å; R311-E315 PolarHBondContact O-N 3.08Å
312K91.5Very high89.8Confident91 Ų91109.1 Ų109.140%0.39652%0.521SS..Hα-helixtrans-60.6-41.4177.1-74.2173.4-176.1161.40111.9E308 M309 E315 I316E308-K312 WeakPolarHBondContact O-CG 3.44Å; E308-K312 PolarHBondContact O-N 3.27Å; E308-K312 VanDerWaalsContact OE1-CE 3.25Å; E308-K312 WeakPolarHBondContact OE1-CE 3.45Å; E308-K312 IonicContact OE1-NZ 3.88Å; E308-K312 PolarHBondContact OE1-NZ 3.43Å; M309-K312 PolarHBondContact O-N 3.43Å; K312-E315 PolarHBondContact O-N 3.33Å; K312-I316 WeakPolarHBondContact O-CG1 3.33Å; K312-I316 PolarHBondContact O-N 3.06Å
313E90.8Very high89.5Confident89 Ų89109 Ų10942%0.41652%0.519SS..Hα-helixtrans-62.5-44.6175.6-171-171.7168.100111.9M309 K310 R311 E315 I316 R317M309-E313 PolarHBondContact O-N 2.77Å; K310-E313 PolarHBondContact O-N 3.44Å; R311-E313 VanDerWaalsContact C-N 3.34Å; R311-E313 PolarHBondContact O-N 2.99Å; E313-E315 VanDerWaalsContact C-N 3.34Å; E313-E315 PolarHBondContact O-N 2.9Å; E313-I316 PolarHBondContact O-N 3.03Å; E313-R317 PolarHBondContact O-N 3.35Å; E313-R317 IonicContact OE1-CZ 3.8Å; E313-R317 IonicContact OE1-NH1 2.67Å; E313-R317 PolarHBondContact OE1-NH1 3.47Å; E313-R317 IonicContact OE1-NH2 2.71Å; E313-R317 PolarHBondContact OE1-NH2 2.84Å
314T84.7Confident89.3Confident63 Ų63108 Ų10839%0.38752%0.515SS..Hα-helixtrans-65.5-35.2175.655.80000112.8K310 R311 R317 L318K310-T314 WeakPolarHBondContact O-CG2 3.39Å; K310-T314 PolarHBondContact O-N 2.78Å; K310-T314 PolarHBondContact O-OG1 2.73Å; R311-T314 WeakPolarHBondContact CA-OG1 3.24Å; R311-T314 PolarHBondContact O-N 2.98Å; R311-T314 PolarHBondContact O-OG1 3.1Å; T314-R317 PolarHBondContact O-N 3.48Å; T314-L318 WeakPolarHBondContact O-CB 3.36Å; T314-L318 WeakPolarHBondContact O-CG 3.19Å; T314-L318 PolarHBondContact O-N 3.01Å
315E91.1Very high88.9Confident74 Ų74106.5 Ų106.535%0.34651%0.507SS..Hα-helixtrans-65.8-42175.5-168.1-175.5153.100111.5R311 K312 E313 L318 K319R311-E315 IonicContact NH1-OE2 3.84Å; R311-E315 WeakPolarHBondContact O-CB 3.37Å; R311-E315 PolarHBondContact O-N 3.08Å; K312-E315 PolarHBondContact O-N 3.33Å; E313-E315 VanDerWaalsContact C-N 3.34Å; E313-E315 PolarHBondContact O-N 2.9Å; E315-L318 PolarHBondContact O-N 3.38Å; E315-K319 WeakPolarHBondContact O-CG 3.47Å; E315-K319 PolarHBondContact O-N 2.99Å; E315-K319 WeakPolarHBondContact OE1-CE 3.42Å; E315-K319 IonicContact OE1-NZ 2.69Å; E315-K319 PolarHBondContact OE1-NZ 3.14Å
316I89.2Confident88.7Confident89 Ų89104.1 Ų104.146%0.45650%0.499SS..Hα-helixtrans-64.4-43.5174.4-67.1167.3000110.8K312 E313 L318 K319 R320K312-I316 WeakPolarHBondContact O-CG1 3.33Å; K312-I316 PolarHBondContact O-N 3.06Å; E313-I316 PolarHBondContact O-N 3.03Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 2.86Å; I316-K319 PolarHBondContact O-N 3.47Å; I316-R320 PolarHBondContact O-N 3.31Å
317R89.4Confident88.6Confident137 Ų137106.5 Ų106.552%0.51750%0.499SS..Hα-helixtrans-60.6-42.8175.3-77.5-173.8177.1122.76.3111.8E313 T314 R320 R321E313-R317 PolarHBondContact O-N 3.35Å; E313-R317 IonicContact OE1-CZ 3.8Å; E313-R317 IonicContact OE1-NH1 2.67Å; E313-R317 PolarHBondContact OE1-NH1 3.47Å; E313-R317 IonicContact OE1-NH2 2.71Å; E313-R317 PolarHBondContact OE1-NH2 2.84Å; T314-R317 PolarHBondContact O-N 3.48Å; R317-R320 PolarHBondContact O-N 3.22Å; R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.06Å
318L85.9Confident88.4Confident121 Ų121107.2 Ų107.263%0.63450%0.5SS*.Hα-helixtrans-63.5-46.1176.6-82.1167.3000111.9T314 E315 I316 R320 R321 E322T314-L318 WeakPolarHBondContact O-CB 3.36Å; T314-L318 WeakPolarHBondContact O-CG 3.19Å; T314-L318 PolarHBondContact O-N 3.01Å; E315-L318 PolarHBondContact O-N 3.38Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 2.86Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 2.78Å; L318-R321 PolarHBondContact O-N 2.94Å; L318-R321 VanDerWaalsContact O-N 3.15Å; L318-E322 WeakPolarHBondContact O-CB 3.41Å; L318-E322 PolarHBondContact O-N 3.49Å
319K88.9Confident88.3Confident122 Ų122110.5 Ų110.553%0.5351%0.508SS..Hα-helixtrans-59.8-39176.5-75.4177.3-176.5164.90112.6E315 I316 E322 S323E315-K319 WeakPolarHBondContact O-CG 3.47Å; E315-K319 PolarHBondContact O-N 2.99Å; E315-K319 WeakPolarHBondContact OE1-CE 3.42Å; E315-K319 IonicContact OE1-NZ 2.69Å; E315-K319 PolarHBondContact OE1-NZ 3.14Å; I316-K319 PolarHBondContact O-N 3.47Å; K319-E322 PolarHBondContact O-N 2.92Å; K319-S323 PolarHBondContact O-N 3.41Å; K319-S323 PolarHBondContact O-OG 3.2Å
320R89.1Confident88Confident152 Ų152109.5 Ų109.557%0.57451%0.505SS*.Hα-helixtrans-64.9-44.1173.7-72.6-174.7-160.1143.23112.4I316 R317 L318 E322 S323 E324I316-R320 PolarHBondContact O-N 3.31Å; R317-R320 PolarHBondContact O-N 3.22Å; L318-R320 VanDerWaalsContact C-N 3.31Å; L318-R320 PolarHBondContact O-N 2.78Å; R320-E322 VanDerWaalsContact C-N 3.28Å; R320-E322 PolarHBondContact O-N 3.29Å; R320-S323 WeakPolarHBondContact CA-OG 3.35Å; R320-S323 PolarHBondContact O-N 3.48Å; R320-S323 PolarHBondContact O-OG 3.35Å; R320-E324 WeakPolarHBondContact O-CG 3.37Å; R320-E324 PolarHBondContact O-N 2.9Å
321R89Confident87.5Confident170 Ų170107 Ų10764%0.64250%0.496SS*.Hα-helixtrans-63.2-36.5175.5-70.3-59.2-165.2168.64.1112R317 L318 E324 L325R317-R321 WeakPolarHBondContact O-CG 3.46Å; R317-R321 PolarHBondContact O-N 3.06Å; L318-R321 PolarHBondContact O-N 2.94Å; L318-R321 VanDerWaalsContact O-N 3.15Å; R321-E324 VanDerWaalsContact CD-OE2 3.28Å; R321-E324 WeakPolarHBondContact CD-OE2 3.31Å; R321-E324 IonicContact CZ-OE2 3.81Å; R321-E324 IonicContact NE-OE2 3.18Å; R321-E324 IonicContact NH1-OE2 3.17Å; R321-E324 PolarHBondContact NH1-OE2 3.35Å; R321-E324 PolarHBondContact O-N 3.41Å; R321-L325 VanDerWaalsContact O-CB 3.3Å; R321-L325 WeakPolarHBondContact O-CB 3.42Å; R321-L325 PolarHBondContact O-N 2.98Å
322E88Confident87.2Confident138 Ų138105.6 Ų105.665%0.64550%0.498SS*.Hα-helixtrans-67.5-40175.6-169.8168.8-159.700111.7L318 K319 R320 L325 N326L318-E322 WeakPolarHBondContact O-CB 3.41Å; L318-E322 PolarHBondContact O-N 3.49Å; K319-E322 PolarHBondContact O-N 2.92Å; R320-E322 VanDerWaalsContact C-N 3.28Å; R320-E322 PolarHBondContact O-N 3.29Å; E322-L325 PolarHBondContact O-N 3.5Å; E322-N326 WeakPolarHBondContact O-CB 3.47Å; E322-N326 PolarHBondContact O-N 2.94Å
323S85.4Confident87Confident71 Ų71103.9 Ų103.950%0.49750%0.501SS..Hα-helixtrans-66-41.5172.557.10000113.1K319 R320 L325 N326 E327K319-S323 PolarHBondContact O-N 3.41Å; K319-S323 PolarHBondContact O-OG 3.2Å; R320-S323 WeakPolarHBondContact CA-OG 3.35Å; R320-S323 PolarHBondContact O-N 3.48Å; R320-S323 PolarHBondContact O-OG 3.35Å; S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact O-N 3.43Å; S323-N326 PolarHBondContact O-N 3.21Å; S323-E327 PolarHBondContact O-N 2.96Å
324E87.2Confident86.8Confident88 Ų88106.5 Ų106.541%0.41151%0.508SS..Hα-helixtrans-59.6-43.6173.5-74168.7-161.100110.8R320 R321 N326 E327 V328R320-E324 WeakPolarHBondContact O-CG 3.37Å; R320-E324 PolarHBondContact O-N 2.9Å; R321-E324 VanDerWaalsContact CD-OE2 3.28Å; R321-E324 WeakPolarHBondContact CD-OE2 3.31Å; R321-E324 IonicContact CZ-OE2 3.81Å; R321-E324 IonicContact NE-OE2 3.18Å; R321-E324 IonicContact NH1-OE2 3.17Å; R321-E324 PolarHBondContact NH1-OE2 3.35Å; R321-E324 PolarHBondContact O-N 3.41Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.36Å; E324-E327 PolarHBondContact O-N 3.44Å; E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.29Å
325L83.2Confident86.9Confident88 Ų88107.6 Ų107.646%0.46151%0.508SS..Hα-helixtrans-66.7-36178.4-165105.6000111.7R321 E322 S323 R329R321-L325 VanDerWaalsContact O-CB 3.3Å; R321-L325 WeakPolarHBondContact O-CB 3.42Å; R321-L325 PolarHBondContact O-N 2.98Å; E322-L325 PolarHBondContact O-N 3.5Å; S323-L325 VanDerWaalsContact C-N 3.32Å; S323-L325 PolarHBondContact O-N 3.43Å; L325-R329 WeakPolarHBondContact O-CB 3.42Å; L325-R329 VanDerWaalsContact O-CG 3.23Å; L325-R329 WeakPolarHBondContact O-CG 3.43Å; L325-R329 PolarHBondContact O-N 3.35Å
326N88.2Confident86.7Confident79 Ų79109 Ų10942%0.42252%0.517SS..Hα-helixtrans-68.8-41.8176.1-154.379.6000111.6E322 S323 E324 V328 R329 D330E322-N326 WeakPolarHBondContact O-CB 3.47Å; E322-N326 PolarHBondContact O-N 2.94Å; S323-N326 PolarHBondContact O-N 3.21Å; E324-N326 VanDerWaalsContact C-N 3.34Å; E324-N326 PolarHBondContact O-N 3.36Å; N326-V328 PolarHBondContact O-N 3.5Å; N326-R329 WeakPolarHBondContact O-CB 3.42Å; N326-R329 PolarHBondContact O-N 3.12Å; N326-R329 VanDerWaalsContact O-N 3.17Å; N326-D330 PolarHBondContact ND2-OD2 3.02Å; N326-D330 VanDerWaalsContact O-CG 3.3Å; N326-D330 PolarHBondContact O-N 3.27Å
327E87.5Confident86.6Confident114 Ų114110.4 Ų110.453%0.53352%0.522SS..Hα-helixtrans-61.5-43.4174.6-170.8178.8-178.400111.6S323 E324 R329 D330 E331S323-E327 PolarHBondContact O-N 2.96Å; E324-E327 PolarHBondContact O-N 3.44Å; E327-R329 VanDerWaalsContact C-N 3.32Å; E327-R329 PolarHBondContact O-N 3.39Å; E327-D330 PolarHBondContact O-N 3.4Å; E327-E331 PolarHBondContact O-N 3.04Å
328V84.2Confident86.5Confident88 Ų88106.7 Ų106.753%0.53351%0.511SS..Hα-helixtrans-65.9-33.4175.1173.70000112.1E324 N326 L332E324-V328 WeakPolarHBondContact O-CG2 3.47Å; E324-V328 PolarHBondContact O-N 3.29Å; N326-V328 PolarHBondContact O-N 3.5Å; V328-L332 VanDerWaalsContact O-CB 3.26Å; V328-L332 WeakPolarHBondContact O-CB 3.47Å; V328-L332 PolarHBondContact O-N 2.73Å
329R89.3Confident86.6Confident152 Ų152108.6 Ų108.657%0.57451%0.51SS*.Hα-helixtrans-66.5-40.8173.3-78169.5174.9175.7-0.6111.5L325 N326 E327 L332 A333L325-R329 WeakPolarHBondContact O-CB 3.42Å; L325-R329 VanDerWaalsContact O-CG 3.23Å; L325-R329 WeakPolarHBondContact O-CG 3.43Å; L325-R329 PolarHBondContact O-N 3.35Å; N326-R329 WeakPolarHBondContact O-CB 3.42Å; N326-R329 PolarHBondContact O-N 3.12Å; N326-R329 VanDerWaalsContact O-N 3.17Å; E327-R329 VanDerWaalsContact C-N 3.32Å; E327-R329 PolarHBondContact O-N 3.39Å; R329-L332 PolarHBondContact O-N 3.14Å; R329-A333 WeakPolarHBondContact O-CB 3.35Å; R329-A333 PolarHBondContact O-N 3.32Å
330D85.4Confident86.6Confident96 Ų96105 Ų10551%0.51350%0.5SS..Hα-helixtrans-68.3-42.8176.5-65.5-24.4000111.2N326 E327 L332 A333 Y334N326-D330 PolarHBondContact ND2-OD2 3.02Å; N326-D330 VanDerWaalsContact O-CG 3.3Å; N326-D330 PolarHBondContact O-N 3.27Å; E327-D330 PolarHBondContact O-N 3.4Å; D330-L332 PolarHBondContact O-N 3.35Å; D330-A333 PolarHBondContact O-N 2.83Å; D330-Y334 WeakPolarHBondContact O-CB 3.49Å; D330-Y334 PolarHBondContact O-N 3.47Å
331E80.3Confident86.4Confident93 Ų93102.6 Ų102.644%0.43549%0.494SS..Hα-helixtrans-59.1-44.1172-77.6-174.2172.500111.3E327 Y334 E335 R1110E327-E331 PolarHBondContact O-N 3.04Å; E331-Y334 PolarHBondContact O-N 3.44Å; E331-E335 WeakPolarHBondContact O-CB 3.48Å; E331-E335 PolarHBondContact O-N 2.95Å; E331-R1110 IonicContact OE1-NH2 2.8Å; E331-R1110 PolarHBondContact OE1-NH2 2.88Å
332L83.3Confident86.2Confident102 Ų10299 Ų9953%0.53448%0.484SS..Hα-helixtrans-65.7-40.8177.4179.963.3000111.9V328 R329 D330 E335 I336V328-L332 VanDerWaalsContact O-CB 3.26Å; V328-L332 WeakPolarHBondContact O-CB 3.47Å; V328-L332 PolarHBondContact O-N 2.73Å; R329-L332 PolarHBondContact O-N 3.14Å; D330-L332 PolarHBondContact O-N 3.35Å; L332-E335 PolarHBondContact O-N 2.92Å; L332-I336 HydrophobicContact CD1-CD1 4.23Å; L332-I336 HydrophobicContact CD1-CG1 4.39Å; L332-I336 HydrophobicContact CG-CD1 4Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.21Å; L332-I336 PolarHBondContact O-N 2.82Å
333A86.8Confident86.3Confident55 Ų5598.5 Ų98.546%0.45548%0.482SS..Hα-helixtrans-62.4-44.417600000111.3R329 D330 I336 E337R329-A333 WeakPolarHBondContact O-CB 3.35Å; R329-A333 PolarHBondContact O-N 3.32Å; D330-A333 PolarHBondContact O-N 2.83Å; A333-I336 PolarHBondContact O-N 3.15Å; A333-E337 PolarHBondContact O-N 3.2Å
334Y86.3Confident86.5Confident144 Ų144100.6 Ų100.657%0.56548%0.484SS*.Hα-helixtrans-61.9-44.8175-179.4-99.6000112.1D330 E331 I336 E337 M338D330-Y334 WeakPolarHBondContact O-CB 3.49Å; D330-Y334 PolarHBondContact O-N 3.47Å; E331-Y334 PolarHBondContact O-N 3.44Å; Y334-I336 PolarHBondContact O-N 2.84Å; Y334-E337 PolarHBondContact O-N 2.98Å; Y334-M338 HydrophobicContact CD1-CG 4.03Å; Y334-M338 HydrophobicContact CD2-CG 4.47Å; Y334-M338 HydrophobicContact CE1-CG 3.61Å; Y334-M338 HydrophobicContact CE1-SD 4.46Å; Y334-M338 HydrophobicContact CE2-CG 4.09Å; Y334-M338 HydrophobicContact CE2-SD 4.28Å; Y334-M338 HydrophobicContact CG-CG 4.45Å; Y334-M338 WeakPolarHBondContact O-CB 3.43Å; Y334-M338 VanDerWaalsContact O-CG 3.31Å; Y334-M338 WeakPolarHBondContact O-CG 3.35Å; Y334-M338 PolarHBondContact O-N 3.03Å
335E86.5Confident86.5Confident86 Ų86103.3 Ų103.340%0.40249%0.49SS..Hα-helixtrans-63.6-38.5177.5179.665.4-161.600112.1E331 L332 M338 R339E331-E335 WeakPolarHBondContact O-CB 3.48Å; E331-E335 PolarHBondContact O-N 2.95Å; L332-E335 PolarHBondContact O-N 2.92Å; E335-M338 PolarHBondContact O-N 3.35Å; E335-R339 WeakPolarHBondContact O-CB 3.26Å; E335-R339 VanDerWaalsContact O-CG 3.28Å; E335-R339 WeakPolarHBondContact O-CG 3.18Å; E335-R339 PolarHBondContact O-N 3.09Å; E335-R339 IonicContact OE1-CZ 3.95Å; E335-R339 IonicContact OE1-NE 3.67Å; E335-R339 PolarHBondContact OE1-NE 2.85Å; E335-R339 IonicContact OE1-NH2 3.9Å; E335-R339 PolarHBondContact OE1-NH2 2.84Å
336I86.8Confident86.9Confident104 Ų104102 Ų10253%0.53349%0.489SS..Hα-helixtrans-62.9-45.4174-70.6166.1000110.6L332 A333 Y334 R339 S340L332-I336 HydrophobicContact CD1-CD1 4.23Å; L332-I336 HydrophobicContact CD1-CG1 4.39Å; L332-I336 HydrophobicContact CG-CD1 4Å; L332-I336 VanDerWaalsContact O-CG1 3.23Å; L332-I336 WeakPolarHBondContact O-CG1 3.21Å; L332-I336 PolarHBondContact O-N 2.82Å; A333-I336 PolarHBondContact O-N 3.15Å; Y334-I336 PolarHBondContact O-N 2.84Å; I336-R339 PolarHBondContact O-N 2.85Å; I336-S340 PolarHBondContact O-N 3.38Å
337E87.9Confident87Confident119 Ų119102 Ų10256%0.55649%0.489SS*.Hα-helixtrans-62.3-46.5177.1-172.7176-167.100111.3A333 Y334 R339 S340 F341A333-E337 PolarHBondContact O-N 3.2Å; Y334-E337 PolarHBondContact O-N 2.98Å; E337-R339 PolarHBondContact O-N 3.1Å; E337-S340 WeakPolarHBondContact O-CB 3.3Å; E337-S340 PolarHBondContact O-N 3.17Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 2.97Å; E337-F341 PolarHBondContact O-N 3.49Å
338M87.9Confident87.2Confident58 Ų58101.6 Ų101.629%0.28649%0.49SS..Hα-helixtrans-62.1-39.3177.8-72.9-57.5-62.900112.7Y334 E335 F341 H342Y334-M338 HydrophobicContact CD1-CG 4.03Å; Y334-M338 HydrophobicContact CD2-CG 4.47Å; Y334-M338 HydrophobicContact CE1-CG 3.61Å; Y334-M338 HydrophobicContact CE1-SD 4.46Å; Y334-M338 HydrophobicContact CE2-CG 4.09Å; Y334-M338 HydrophobicContact CE2-SD 4.28Å; Y334-M338 HydrophobicContact CG-CG 4.45Å; Y334-M338 WeakPolarHBondContact O-CB 3.43Å; Y334-M338 VanDerWaalsContact O-CG 3.31Å; Y334-M338 WeakPolarHBondContact O-CG 3.35Å; Y334-M338 PolarHBondContact O-N 3.03Å; E335-M338 PolarHBondContact O-N 3.35Å; M338-F341 PolarHBondContact O-N 3.2Å; M338-H342 WeakPolarHBondContact O-CB 3.3Å; M338-H342 PolarHBondContact O-CD2 3.38Å; M338-H342 VanDerWaalsContact O-CD2 3.26Å; M338-H342 PolarHBondContact O-N 2.93Å
339R88.2Confident87.3Confident162 Ų162101 Ų10161%0.61149%0.486SS*.Hα-helixtrans-63.6-42.5172.7-75.8178.2-173.2-160.44.5111.8E335 I336 E337 F341 H342 E343E335-R339 WeakPolarHBondContact O-CB 3.26Å; E335-R339 VanDerWaalsContact O-CG 3.28Å; E335-R339 WeakPolarHBondContact O-CG 3.18Å; E335-R339 PolarHBondContact O-N 3.09Å; E335-R339 IonicContact OE1-CZ 3.95Å; E335-R339 IonicContact OE1-NE 3.67Å; E335-R339 PolarHBondContact OE1-NE 2.85Å; E335-R339 IonicContact OE1-NH2 3.9Å; E335-R339 PolarHBondContact OE1-NH2 2.84Å; I336-R339 PolarHBondContact O-N 2.85Å; E337-R339 PolarHBondContact O-N 3.1Å; R339-F341 VanDerWaalsContact C-N 3.33Å; R339-F341 PolarHBondContact O-N 3.24Å; R339-H342 PolarHBondContact O-N 3.38Å; R339-E343 WeakPolarHBondContact O-CB 3.42Å; R339-E343 PolarHBondContact O-N 3.37Å
340S87.8Confident87.3Confident47 Ų4797.7 Ų97.733%0.32948%0.48SS..Hα-helixtrans-62.5-40.3176.582.70000112I336 E337 E343 Q344I336-S340 PolarHBondContact O-N 3.38Å; E337-S340 WeakPolarHBondContact O-CB 3.3Å; E337-S340 PolarHBondContact O-N 3.17Å; E337-S340 VanDerWaalsContact O-N 3.13Å; E337-S340 PolarHBondContact O-OG 2.97Å; S340-E343 PolarHBondContact O-N 2.88Å; S340-Q344 WeakPolarHBondContact O-CG 3.45Å; S340-Q344 PolarHBondContact O-N 3.49Å
341F85.2Confident87.5Confident100 Ų10098.7 Ų98.744%0.43948%0.481SS..Hα-helixtrans-66.6-41.6175.6-175.9-98.1000111.6E337 M338 R339 Q344 R345E337-F341 PolarHBondContact O-N 3.49Å; M338-F341 PolarHBondContact O-N 3.2Å; R339-F341 VanDerWaalsContact C-N 3.33Å; R339-F341 PolarHBondContact O-N 3.24Å; F341-Q344 PolarHBondContact O-N 3.34Å; F341-R345 WeakPolarHBondContact O-CB 3.35Å; F341-R345 PolarHBondContact O-N 2.95Å
342H84.4Confident87.9Confident94 Ų9499.4 Ų99.444%0.43549%0.487SS..Hα-helixtrans-63.7-40.1174.6-79.3-42.9000112.7M338 R339 R345 S346M338-H342 WeakPolarHBondContact O-CB 3.3Å; M338-H342 PolarHBondContact O-CD2 3.38Å; M338-H342 VanDerWaalsContact O-CD2 3.26Å; M338-H342 PolarHBondContact O-N 2.93Å; R339-H342 PolarHBondContact O-N 3.38Å; H342-R345 PolarHBondContact O-N 2.97Å; H342-S346 WeakPolarHBondContact O-CB 3.44Å; H342-S346 PolarHBondContact O-N 3.42Å
343E90.8Very high88.3Confident129 Ų12999.9 Ų99.960%0.60349%0.487SS*.Hα-helixtrans-65-46.6175.4-174.2176.6-173.200111.6R339 S340 R345 S346 N347R339-E343 WeakPolarHBondContact O-CB 3.42Å; R339-E343 PolarHBondContact O-N 3.37Å; S340-E343 PolarHBondContact O-N 2.88Å; E343-R345 VanDerWaalsContact C-N 3.32Å; E343-R345 PolarHBondContact O-N 3.49Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.88Å; E343-N347 WeakPolarHBondContact O-CB 3.36Å; E343-N347 VanDerWaalsContact O-CG 3.3Å; E343-N347 PolarHBondContact O-N 3.45Å; E343-N347 PolarHBondContact O-ND2 2.86Å
344Q88.9Confident88.5Confident114 Ų114102.9 Ų102.953%0.53349%0.492SS..Hα-helixtrans-58.6-43.5174.2-73.517714.300111.9S340 F341 N347 L348S340-Q344 WeakPolarHBondContact O-CG 3.45Å; S340-Q344 PolarHBondContact O-N 3.49Å; F341-Q344 PolarHBondContact O-N 3.34Å; Q344-N347 PolarHBondContact O-N 2.86Å; Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 PolarHBondContact O-N 3.44Å
345R89Confident88.6Confident145 Ų14599.7 Ų99.755%0.54749%0.49SS..Hα-helixtrans-66.6-38.2177.3-165.6178.570.3150.10.5111.9F341 H342 E343 L348 V349F341-R345 WeakPolarHBondContact O-CB 3.35Å; F341-R345 PolarHBondContact O-N 2.95Å; H342-R345 PolarHBondContact O-N 2.97Å; E343-R345 VanDerWaalsContact C-N 3.32Å; E343-R345 PolarHBondContact O-N 3.49Å; R345-L348 PolarHBondContact O-N 3.5Å; R345-V349 WeakPolarHBondContact O-CG2 3.43Å; R345-V349 PolarHBondContact O-N 3.36Å
346S89.7Confident88.8Confident62 Ų62100.5 Ų100.543%0.43450%0.497SS..Hα-helixtrans-62.6-49.7174.5-165.70000110.9H342 E343 L348 V349 D350H342-S346 WeakPolarHBondContact O-CB 3.44Å; H342-S346 PolarHBondContact O-N 3.42Å; E343-S346 WeakPolarHBondContact O-CB 3.4Å; E343-S346 PolarHBondContact O-N 2.88Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.26Å; S346-V349 WeakPolarHBondContact O-CB 3.38Å; S346-V349 PolarHBondContact O-N 3.25Å; S346-D350 PolarHBondContact O-N 2.74Å
347N91.3Very high89Confident78 Ų7899.5 Ų99.542%0.41749%0.493SS..Hα-helixtrans-58.5-39.8177.4-70.5-26000111.8E343 Q344 D350 H351E343-N347 WeakPolarHBondContact O-CB 3.36Å; E343-N347 VanDerWaalsContact O-CG 3.3Å; E343-N347 PolarHBondContact O-N 3.45Å; E343-N347 PolarHBondContact O-ND2 2.86Å; Q344-N347 PolarHBondContact O-N 2.86Å; N347-D350 PolarHBondContact O-N 3.36Å; N347-H351 PolarHBondContact O-N 2.88Å; N347-H351 PolarHBondContact O-ND1 3.36Å
348L90.7Very high89.1Confident105 Ų10598 Ų9855%0.5549%0.489SS..Hα-helixtrans-64.6-42175.1-179.363.5000112.1Q344 R345 S346 D350 H351 L352Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 PolarHBondContact O-N 3.44Å; R345-L348 PolarHBondContact O-N 3.5Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.26Å; L348-D350 VanDerWaalsContact C-N 3.34Å; L348-H351 PolarHBondContact O-N 2.87Å; L348-L352 HydrophobicContact CD1-CD1 4.48Å; L348-L352 HydrophobicContact CD1-CG 4.43Å; L348-L352 HydrophobicContact CG-CD1 4.19Å; L348-L352 WeakPolarHBondContact O-CB 3.31Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.09Å
349V86.9Confident89.1Confident76 Ų7697.8 Ų97.846%0.46150%0.496SS..Hα-helixtrans-62.1-43.4175.7169.50000110.7R345 S346 L352 Q353R345-V349 WeakPolarHBondContact O-CG2 3.43Å; R345-V349 PolarHBondContact O-N 3.36Å; S346-V349 WeakPolarHBondContact O-CB 3.38Å; S346-V349 PolarHBondContact O-N 3.25Å; V349-L352 PolarHBondContact O-N 3.01Å; V349-Q353 WeakPolarHBondContact O-CB 3.3Å; V349-Q353 PolarHBondContact O-N 3.43Å
350D90.2Very high89.2Confident83 Ų8394 Ų9444%0.44449%0.487SS..Hα-helixtrans-62.4-44.1177.3-66-30.3000111.5S346 N347 L348 L352 Q353 E354S346-D350 PolarHBondContact O-N 2.74Å; N347-D350 PolarHBondContact O-N 3.36Å; L348-D350 VanDerWaalsContact C-N 3.34Å; D350-L352 PolarHBondContact O-N 3.06Å; D350-Q353 PolarHBondContact O-N 2.87Å; D350-E354 WeakPolarHBondContact O-CB 3.3Å; D350-E354 PolarHBondContact O-N 2.83Å
351H89.3Confident89.3Confident117 Ų11795.9 Ų95.954%0.54249%0.491SS..Hα-helixtrans-63.3-39.6175.2-79.974.6000112.7N347 L348 Q353 S355N347-H351 PolarHBondContact O-N 2.88Å; N347-H351 PolarHBondContact O-ND1 3.36Å; L348-H351 PolarHBondContact O-N 2.87Å; H351-Q353 VanDerWaalsContact C-N 3.34Å; H351-S355 WeakPolarHBondContact O-CB 3.38Å; H351-S355 PolarHBondContact O-N 3.13Å; H351-S355 PolarHBondContact O-OG 3.43Å
352L89Confident89.6Confident107 Ų10797.9 Ų97.956%0.5650%0.499SS*.Hα-helixtrans-67.4-37.5175.8-73.4173.1000111.2L348 V349 D350 S355 L356L348-L352 HydrophobicContact CD1-CD1 4.48Å; L348-L352 HydrophobicContact CD1-CG 4.43Å; L348-L352 HydrophobicContact CG-CD1 4.19Å; L348-L352 WeakPolarHBondContact O-CB 3.31Å; L348-L352 VanDerWaalsContact O-CG 3.28Å; L348-L352 WeakPolarHBondContact O-CG 3.46Å; L348-L352 PolarHBondContact O-N 3.09Å; V349-L352 PolarHBondContact O-N 3.01Å; D350-L352 PolarHBondContact O-N 3.06Å; L352-S355 PolarHBondContact O-N 3.44Å; L352-L356 WeakPolarHBondContact O-CB 3.41Å; L352-L356 PolarHBondContact O-N 2.95Å
353Q91.1Very high89.8Confident112 Ų11298 Ų9852%0.52350%0.503SS..Hα-helixtrans-69.4-39.9177-172.5160.2-9.800111.8V349 D350 H351 L356 N357V349-Q353 WeakPolarHBondContact O-CB 3.3Å; V349-Q353 PolarHBondContact O-N 3.43Å; D350-Q353 PolarHBondContact O-N 2.87Å; H351-Q353 VanDerWaalsContact C-N 3.34Å; Q353-L356 PolarHBondContact O-N 3.38Å; Q353-N357 WeakPolarHBondContact O-CB 3.38Å; Q353-N357 VanDerWaalsContact O-CG 3.23Å; Q353-N357 PolarHBondContact O-N 3.24Å; Q353-N357 PolarHBondContact O-ND2 3.42Å
354E90.2Very high89.7Confident119 Ų11997 Ų9756%0.55650%0.496SS*.Hα-helixtrans-62.6-47.4171.4-171.3173.7-160.600111.3D350 L356 N357 D358D350-E354 WeakPolarHBondContact O-CB 3.3Å; D350-E354 PolarHBondContact O-N 2.83Å; E354-L356 VanDerWaalsContact C-N 3.28Å; E354-L356 PolarHBondContact O-N 3.4Å; E354-N357 WeakPolarHBondContact O-CB 3.25Å; E354-N357 PolarHBondContact O-N 3.24Å; E354-N357 VanDerWaalsContact O-N 3.12Å; E354-D358 PolarHBondContact O-N 3.45Å
355S89.6Confident89.7Confident76 Ų7694.7 Ų94.753%0.53149%0.49SS..Hα-helixtrans-59.8-37.9176-66.10000112.7H351 L352 A359H351-S355 WeakPolarHBondContact O-CB 3.38Å; H351-S355 PolarHBondContact O-N 3.13Å; H351-S355 PolarHBondContact O-OG 3.43Å; L352-S355 PolarHBondContact O-N 3.44Å; S355-A359 WeakPolarHBondContact O-CB 3.49Å; S355-A359 PolarHBondContact O-N 2.9Å
356L89.3Confident89.7Confident103 Ų10391.9 Ų91.954%0.53949%0.488SS..Hα-helixtrans-67.2-42.9175.1-179.663.1000111.5L352 Q353 E354 A359 L360L352-L356 WeakPolarHBondContact O-CB 3.41Å; L352-L356 PolarHBondContact O-N 2.95Å; Q353-L356 PolarHBondContact O-N 3.38Å; E354-L356 VanDerWaalsContact C-N 3.28Å; E354-L356 PolarHBondContact O-N 3.4Å; L356-A359 PolarHBondContact O-N 3.29Å; L356-L360 HydrophobicContact CG-CD1 4.31Å; L356-L360 WeakPolarHBondContact O-CB 3.36Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.45Å
357N91.1Very high89.7Confident84 Ų8493.3 Ų93.345%0.44949%0.491SS..Hα-helixtrans-63.1-42.5176.2-72.5-26.9000111.5Q353 E354 A359 L360 E361Q353-N357 WeakPolarHBondContact O-CB 3.38Å; Q353-N357 VanDerWaalsContact O-CG 3.23Å; Q353-N357 PolarHBondContact O-N 3.24Å; Q353-N357 PolarHBondContact O-ND2 3.42Å; E354-N357 WeakPolarHBondContact O-CB 3.25Å; E354-N357 PolarHBondContact O-N 3.24Å; E354-N357 VanDerWaalsContact O-N 3.12Å; N357-A359 PolarHBondContact O-N 3.22Å; N357-L360 PolarHBondContact O-N 3.33Å; N357-E361 PolarHBondContact O-N 3.43Å
358D91.5Very high89.6Confident88 Ų8896.6 Ų96.647%0.47150%0.498SS..Hα-helixtrans-60.9-42.7173.8-92.36.6000112.1E354 E361 K362E354-D358 PolarHBondContact O-N 3.45Å; D358-E361 PolarHBondContact O-N 2.95Å; D358-K362 WeakPolarHBondContact O-CB 3.47Å; D358-K362 WeakPolarHBondContact O-CG 3.29Å; D358-K362 PolarHBondContact O-N 2.87Å
359A87.7Confident89.6Confident53 Ų5395.8 Ų95.844%0.43849%0.493SS..Hα-helixtrans-64.3-40.2175.300000111.8S355 L356 N357 K362 L363S355-A359 WeakPolarHBondContact O-CB 3.49Å; S355-A359 PolarHBondContact O-N 2.9Å; L356-A359 PolarHBondContact O-N 3.29Å; N357-A359 PolarHBondContact O-N 3.22Å; A359-K362 PolarHBondContact O-N 3.19Å; A359-L363 WeakPolarHBondContact O-CB 3.39Å; A359-L363 PolarHBondContact O-N 3.25Å
360L90.1Very high89.7Confident82 Ų8296 Ų9643%0.42949%0.492SS..Hα-helixtrans-65.2-40.2175.2-74.1171.3000112L356 N357 L363 K364L356-L360 HydrophobicContact CG-CD1 4.31Å; L356-L360 WeakPolarHBondContact O-CB 3.36Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.45Å; N357-L360 PolarHBondContact O-N 3.33Å; L360-L363 PolarHBondContact O-N 3.02Å; L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.39Å
361E90Very high89.7Confident86 Ų8698.9 Ų98.940%0.40250%0.5SS..Hα-helixtrans-67.3-41.4174.6-77.5-54.1137.200112.3N357 D358 L363 K364 V365N357-E361 PolarHBondContact O-N 3.43Å; D358-E361 PolarHBondContact O-N 2.95Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.06Å; E361-K364 WeakPolarHBondContact O-CB 3.37Å; E361-K364 PolarHBondContact O-N 3.1Å; E361-K364 WeakPolarHBondContact OE1-CD 3.43Å; E361-K364 IonicContact OE1-NZ 2.74Å; E361-K364 PolarHBondContact OE1-NZ 3.43Å; E361-V365 WeakPolarHBondContact O-CG2 3.46Å; E361-V365 PolarHBondContact O-N 2.99Å
362K89.9Confident89.7Confident143 Ų14398.3 Ų98.362%0.62250%0.498SS*.Hα-helixtrans-58.2-43.2171.4-74.5171.6-175.8169.60111.4D358 A359 K364 V365 V366D358-K362 WeakPolarHBondContact O-CB 3.47Å; D358-K362 WeakPolarHBondContact O-CG 3.29Å; D358-K362 PolarHBondContact O-N 2.87Å; A359-K362 PolarHBondContact O-N 3.19Å; K362-K364 VanDerWaalsContact C-N 3.35Å; K362-K364 PolarHBondContact O-N 2.93Å; K362-V365 PolarHBondContact O-N 3.21Å; K362-V366 WeakPolarHBondContact O-CG2 3.41Å; K362-V366 PolarHBondContact O-N 3.35Å
363L89Confident89.7Confident97 Ų9797.4 Ų97.451%0.50849%0.494SS..Hα-helixtrans-63-39.6176.4-172.967.7000112.1A359 L360 E361 V366 N367A359-L363 WeakPolarHBondContact O-CB 3.39Å; A359-L363 PolarHBondContact O-N 3.25Å; L360-L363 PolarHBondContact O-N 3.02Å; E361-L363 VanDerWaalsContact C-N 3.3Å; E361-L363 PolarHBondContact O-N 3.06Å; L363-V366 PolarHBondContact O-N 3.2Å; L363-N367 WeakPolarHBondContact O-CB 3.45Å; L363-N367 PolarHBondContact O-N 3.03Å
364K89.2Confident89.8Confident108 Ų10896.8 Ų96.847%0.4749%0.491SS..Hα-helixtrans-62.8-41.5173.3-71.7173.9-170170.90111.9L360 E361 K362 N367 R368L360-K364 WeakPolarHBondContact O-CG 3.41Å; L360-K364 PolarHBondContact O-N 3.39Å; E361-K364 WeakPolarHBondContact O-CB 3.37Å; E361-K364 PolarHBondContact O-N 3.1Å; E361-K364 WeakPolarHBondContact OE1-CD 3.43Å; E361-K364 IonicContact OE1-NZ 2.74Å; E361-K364 PolarHBondContact OE1-NZ 3.43Å; K362-K364 VanDerWaalsContact C-N 3.35Å; K362-K364 PolarHBondContact O-N 2.93Å; K364-N367 PolarHBondContact O-N 3.44Å; K364-R368 WeakPolarHBondContact O-CG 3.49Å; K364-R368 PolarHBondContact O-N 3.42Å
365V89.7Confident89.8Confident64 Ų6497.3 Ų97.339%0.38849%0.493SS..Hα-helixtrans-62.4-47174.9173.90000110.6E361 K362 N367 R368 L369E361-V365 WeakPolarHBondContact O-CG2 3.46Å; E361-V365 PolarHBondContact O-N 2.99Å; K362-V365 PolarHBondContact O-N 3.21Å; V365-N367 VanDerWaalsContact C-N 3.33Å; V365-N367 PolarHBondContact O-N 3.08Å; V365-R368 VanDerWaalsContact CG2-NH2 3.33Å; V365-R368 WeakPolarHBondContact O-CB 3.4Å; V365-R368 PolarHBondContact O-N 2.89Å; V365-R368 VanDerWaalsContact O-N 3.11Å; V365-L369 HydrophobicContact CG1-CD1 4.04Å; V365-L369 HydrophobicContact CG1-CG 4.41Å; V365-L369 WeakPolarHBondContact O-CG 3.29Å; V365-L369 PolarHBondContact O-N 2.95Å
366V88.4Confident89.8Confident86 Ų8697.1 Ų97.152%0.52149%0.486SS..Hα-helixtrans-59.5-42.9176.6171.50000111.2K362 L363 R368 L369 D370K362-V366 WeakPolarHBondContact O-CG2 3.41Å; K362-V366 PolarHBondContact O-N 3.35Å; L363-V366 PolarHBondContact O-N 3.2Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.22Å; V366-L369 PolarHBondContact O-N 3.48Å; V366-D370 PolarHBondContact O-N 3.12Å
367N89.1Confident89.9Confident92 Ų9296.7 Ų96.749%0.49248%0.484SS..Hα-helixtrans-64.4-33.8175.7-79.2-23.5000113.2L363 K364 V365 K371L363-N367 WeakPolarHBondContact O-CB 3.45Å; L363-N367 PolarHBondContact O-N 3.03Å; K364-N367 PolarHBondContact O-N 3.44Å; V365-N367 VanDerWaalsContact C-N 3.33Å; V365-N367 PolarHBondContact O-N 3.08Å; N367-K371 WeakPolarHBondContact O-CG 3.39Å; N367-K371 PolarHBondContact O-N 3.23Å
368R90Very high89.8Confident148 Ų14898.4 Ų98.456%0.55849%0.487SS*.Hα-helixtrans-67.7-45.6172.3-75.9-172.4-71.4-119.9-2.5111.2K364 V365 V366 D370 K371 E372K364-R368 WeakPolarHBondContact O-CG 3.49Å; K364-R368 PolarHBondContact O-N 3.42Å; V365-R368 VanDerWaalsContact CG2-NH2 3.33Å; V365-R368 WeakPolarHBondContact O-CB 3.4Å; V365-R368 PolarHBondContact O-N 2.89Å; V365-R368 VanDerWaalsContact O-N 3.11Å; V366-R368 VanDerWaalsContact C-N 3.32Å; V366-R368 PolarHBondContact O-N 3.22Å; R368-D370 VanDerWaalsContact C-N 3.32Å; R368-D370 PolarHBondContact O-N 2.96Å; R368-K371 PolarHBondContact O-N 3.26Å; R368-E372 PolarHBondContact O-N 2.68Å
369L89.7Confident89.8Confident87 Ų8799.5 Ų99.546%0.45549%0.49SS..Hα-helixtrans-63.7-35.3177-70.4173000112.3V365 V366 E372 N373V365-L369 HydrophobicContact CG1-CD1 4.04Å; V365-L369 HydrophobicContact CG1-CG 4.41Å; V365-L369 WeakPolarHBondContact O-CG 3.29Å; V365-L369 PolarHBondContact O-N 2.95Å; V366-L369 PolarHBondContact O-N 3.48Å; L369-E372 PolarHBondContact O-N 3.11Å; L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.44Å; L369-N373 PolarHBondContact O-N 3.41Å; L369-N373 PolarHBondContact O-ND2 3.02Å
370D89.5Confident89.8Confident81 Ų81101.6 Ų101.643%0.43349%0.494SS..Hα-helixtrans-65.4-42.5174.6-170.863.7000111.5V366 R368 N373 Q374V366-D370 PolarHBondContact O-N 3.12Å; R368-D370 VanDerWaalsContact C-N 3.32Å; R368-D370 PolarHBondContact O-N 2.96Å; D370-N373 PolarHBondContact O-N 3.41Å; D370-Q374 VanDerWaalsContact O-CG 3.3Å; D370-Q374 WeakPolarHBondContact O-CG 3.4Å; D370-Q374 PolarHBondContact O-N 2.9Å; D370-Q374 PolarHBondContact OD2-NE2 3.2Å
371K89.9Confident89.8Confident143 Ų143105.5 Ų105.562%0.62250%0.503SS*.Hα-helixtrans-61.8-46173.5-72.9179-180-176.60112.1N367 R368 Q374 E375N367-K371 WeakPolarHBondContact O-CG 3.39Å; N367-K371 PolarHBondContact O-N 3.23Å; R368-K371 PolarHBondContact O-N 3.26Å; K371-Q374 WeakPolarHBondContact O-CB 3.19Å; K371-Q374 PolarHBondContact O-N 3.18Å; K371-E375 PolarHBondContact O-N 2.85Å
372E89.6Confident89.9Confident105 Ų105106.2 Ų106.249%0.49151%0.509SS..Hα-helixtrans-62.2-43.2176.9-172176.9-178.700111.3R368 L369 Q374 E375 L376R368-E372 PolarHBondContact O-N 2.68Å; L369-E372 PolarHBondContact O-N 3.11Å; E372-Q374 VanDerWaalsContact C-N 3.32Å; E372-Q374 PolarHBondContact O-N 3Å; E372-E375 PolarHBondContact O-N 3.41Å; E372-E375 VanDerWaalsContact O-N 3.13Å; E372-L376 HydrophobicContact CG-CD1 4.32Å; E372-L376 WeakPolarHBondContact O-CG 3.37Å; E372-L376 PolarHBondContact O-N 3.21Å
373N90Very high89.9Confident89 Ų89103.5 Ų103.548%0.47650%0.501SS..Hα-helixtrans-61.1-39.4173.5-83.2-26.4000112.2L369 D370 E375 L376 L377L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.44Å; L369-N373 PolarHBondContact O-N 3.41Å; L369-N373 PolarHBondContact O-ND2 3.02Å; D370-N373 PolarHBondContact O-N 3.41Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-L376 PolarHBondContact O-N 2.94Å; N373-L377 VanDerWaalsContact O-CB 3.3Å; N373-L377 WeakPolarHBondContact O-CB 3.5Å; N373-L377 WeakPolarHBondContact O-CG 3.22Å; N373-L377 PolarHBondContact O-N 2.83Å
374Q91.7Very high90Very high98 Ų98105.1 Ų105.146%0.45850%0.504SS..Hα-helixtrans-64.8-36.9174.5-72.5-18024.400112.2D370 K371 E372 K378D370-Q374 VanDerWaalsContact O-CG 3.3Å; D370-Q374 WeakPolarHBondContact O-CG 3.4Å; D370-Q374 PolarHBondContact O-N 2.9Å; D370-Q374 PolarHBondContact OD2-NE2 3.2Å; K371-Q374 WeakPolarHBondContact O-CB 3.19Å; K371-Q374 PolarHBondContact O-N 3.18Å; E372-Q374 VanDerWaalsContact C-N 3.32Å; E372-Q374 PolarHBondContact O-N 3Å; Q374-K378 WeakPolarHBondContact O-CG 3.4Å; Q374-K378 PolarHBondContact O-N 2.88Å; Q374-K378 VanDerWaalsContact O-N 3.09Å
375E90.2Very high89.9Confident130 Ų130103.5 Ų103.561%0.60750%0.503SS*.Hα-helixtrans-67.8-46.7173.8-72.4-176.8173.500111.8K371 E372 N373 L377 K378 E379K371-E375 PolarHBondContact O-N 2.85Å; E372-E375 PolarHBondContact O-N 3.41Å; E372-E375 VanDerWaalsContact O-N 3.13Å; N373-E375 VanDerWaalsContact C-N 3.33Å; E375-L377 VanDerWaalsContact C-N 3.28Å; E375-L377 PolarHBondContact O-N 3.38Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 WeakPolarHBondContact O-CA 3.45Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 2.9Å; E375-E379 PolarHBondContact O-N 3.24Å
376L89.8Confident90Very high73 Ų73106.3 Ų106.338%0.38251%0.51SS..Hα-helixtrans-61.9-34.6174.7-71.3172.9000112.4E372 N373 E379 N380E372-L376 HydrophobicContact CG-CD1 4.32Å; E372-L376 WeakPolarHBondContact O-CG 3.37Å; E372-L376 PolarHBondContact O-N 3.21Å; N373-L376 PolarHBondContact O-N 2.94Å; L376-E379 PolarHBondContact O-N 3.01Å; L376-N380 VanDerWaalsContact O-CB 3.31Å; L376-N380 WeakPolarHBondContact O-CB 3.47Å; L376-N380 PolarHBondContact O-N 3.38Å; L376-N380 PolarHBondContact O-ND2 3.1Å; L376-N380 VanDerWaalsContact O-ND2 3.15Å
377L91Very high90Very high94 Ų94108.3 Ų108.349%0.49251%0.514SS..Hα-helixtrans-67.3-37.4172.7-77.8171.2000111.8N373 E375 R381N373-L377 VanDerWaalsContact O-CB 3.3Å; N373-L377 WeakPolarHBondContact O-CB 3.5Å; N373-L377 WeakPolarHBondContact O-CG 3.22Å; N373-L377 PolarHBondContact O-N 2.83Å; E375-L377 VanDerWaalsContact C-N 3.28Å; E375-L377 PolarHBondContact O-N 3.38Å; L377-R381 VanDerWaalsContact O-CG 3.26Å; L377-R381 WeakPolarHBondContact O-CG 3.46Å; L377-R381 PolarHBondContact O-N 3.29Å
378K90.6Very high90Very high120 Ų120110.2 Ų110.252%0.52252%0.518SS..Hα-helixtrans-67-44173.1-71.9170-175.3173.50111Q374 E375 R381 N382Q374-K378 WeakPolarHBondContact O-CG 3.4Å; Q374-K378 PolarHBondContact O-N 2.88Å; Q374-K378 VanDerWaalsContact O-N 3.09Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 WeakPolarHBondContact O-CA 3.45Å; E375-K378 WeakPolarHBondContact O-CB 3.28Å; E375-K378 PolarHBondContact O-N 2.9Å; K378-R381 WeakPolarHBondContact O-CB 3.45Å; K378-R381 PolarHBondContact O-N 3.39Å; K378-N382 PolarHBondContact O-N 2.93Å
379E89.9Confident90Very high111 Ų111108.9 Ų108.952%0.51952%0.518SS..Hα-helixtrans-62.1-45.3176.7-171.1178.1-17700111.4E375 L376 R381 N382 L383E375-E379 PolarHBondContact O-N 3.24Å; L376-E379 PolarHBondContact O-N 3.01Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.2Å; E379-N382 CarbonylContact O-C 3.56Å; E379-N382 WeakPolarHBondContact O-CA 3.31Å; E379-N382 WeakPolarHBondContact O-CB 3.45Å; E379-N382 PolarHBondContact O-N 2.94Å; E379-L383 HydrophobicContact CG-CD1 4.23Å; E379-L383 HydrophobicContact CG-CG 4.44Å; E379-L383 WeakPolarHBondContact O-CG 3.41Å; E379-L383 PolarHBondContact O-N 3.08Å
380N88.4Confident89.9Confident97 Ų97110.3 Ų110.352%0.51953%0.525SS..Hα-helixtrans-60.6-37.1174.5-90.6-54.3000112.8L376 N382 L383 K384L376-N380 VanDerWaalsContact O-CB 3.31Å; L376-N380 WeakPolarHBondContact O-CB 3.47Å; L376-N380 PolarHBondContact O-N 3.38Å; L376-N380 PolarHBondContact O-ND2 3.1Å; L376-N380 VanDerWaalsContact O-ND2 3.15Å; N380-N382 VanDerWaalsContact C-N 3.34Å; N380-L383 PolarHBondContact O-N 2.99Å; N380-K384 WeakPolarHBondContact O-CB 3.43Å; N380-K384 PolarHBondContact O-N 3.4Å
381R90.9Very high89.9Confident164 Ų164110.8 Ų110.862%0.61953%0.525SS*.Hα-helixtrans-62.6-43.2173-73.1170.4-165.9163.35111.1L377 K378 E379 K384 T385L377-R381 VanDerWaalsContact O-CG 3.26Å; L377-R381 WeakPolarHBondContact O-CG 3.46Å; L377-R381 PolarHBondContact O-N 3.29Å; K378-R381 WeakPolarHBondContact O-CB 3.45Å; K378-R381 PolarHBondContact O-N 3.39Å; E379-R381 VanDerWaalsContact C-N 3.3Å; E379-R381 PolarHBondContact O-N 3.2Å; R381-K384 PolarHBondContact O-N 2.91Å; R381-T385 PolarHBondContact O-N 3.1Å; R381-T385 PolarHBondContact O-OG1 3.38Å
382N91.1Very high89.9Confident100 Ų100107.7 Ų107.754%0.53552%0.521SS..Hα-helixtrans-67.4-37.8177-70-13000112.8K378 E379 N380 T385 K386K378-N382 PolarHBondContact O-N 2.93Å; E379-N382 CarbonylContact O-C 3.56Å; E379-N382 WeakPolarHBondContact O-CA 3.31Å; E379-N382 WeakPolarHBondContact O-CB 3.45Å; E379-N382 PolarHBondContact O-N 2.94Å; N380-N382 VanDerWaalsContact C-N 3.34Å; N382-T385 VanDerWaalsContact C-OG1 3.3Å; N382-T385 WeakPolarHBondContact CA-OG1 3.37Å; N382-T385 PolarHBondContact O-N 2.93Å; N382-T385 PolarHBondContact O-OG1 2.92Å; N382-K386 WeakPolarHBondContact O-CG 3.46Å; N382-K386 PolarHBondContact O-N 3.4Å
383L89.8Confident89.8Confident86 Ų86106.7 Ų106.745%0.4552%0.518SS..Hα-helixtrans-67.2-41.1174.4-73.9173.8000110.8E379 N380 T385 K386 E387E379-L383 HydrophobicContact CG-CD1 4.23Å; E379-L383 HydrophobicContact CG-CG 4.44Å; E379-L383 WeakPolarHBondContact O-CG 3.41Å; E379-L383 PolarHBondContact O-N 3.08Å; N380-L383 PolarHBondContact O-N 2.99Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.28Å; L383-K386 CarbonylContact O-C 3.58Å; L383-K386 WeakPolarHBondContact O-CB 3.43Å; L383-K386 PolarHBondContact O-N 2.96Å; L383-K386 VanDerWaalsContact O-N 3.15Å; L383-E387 WeakPolarHBondContact O-CB 3.23Å; L383-E387 PolarHBondContact O-N 3.49Å
384K91.2Very high89.8Confident132 Ų132110 Ų11057%0.57452%0.524SS*.Hα-helixtrans-64.9-34.5176.3-168.5168.4-171.8168.20112.6N380 R381 K388N380-K384 WeakPolarHBondContact O-CB 3.43Å; N380-K384 PolarHBondContact O-N 3.4Å; R381-K384 PolarHBondContact O-N 2.91Å; K384-K388 WeakPolarHBondContact O-CG 3.39Å; K384-K388 PolarHBondContact O-N 2.69Å; K384-K388 VanDerWaalsContact O-N 3.1Å
385T88Confident89.6Confident73 Ų73108.6 Ų108.645%0.44853%0.525SS..Hα-helixtrans-67.3-42.617148.20000111.5R381 N382 L383 E387 K388 E389R381-T385 PolarHBondContact O-N 3.1Å; R381-T385 PolarHBondContact O-OG1 3.38Å; N382-T385 VanDerWaalsContact C-OG1 3.3Å; N382-T385 WeakPolarHBondContact CA-OG1 3.37Å; N382-T385 PolarHBondContact O-N 2.93Å; N382-T385 PolarHBondContact O-OG1 2.92Å; L383-T385 VanDerWaalsContact C-N 3.32Å; L383-T385 PolarHBondContact O-N 3.28Å; T385-E387 VanDerWaalsContact C-N 3.34Å; T385-E387 PolarHBondContact O-N 3.1Å; T385-K388 WeakPolarHBondContact O-CB 3.34Å; T385-K388 PolarHBondContact O-N 2.94Å; T385-E389 WeakPolarHBondContact O-CG 3.38Å; T385-E389 PolarHBondContact O-N 3.43Å
386K90.1Very high89.7Confident124 Ų124110.1 Ų110.154%0.53953%0.525SS..Hα-helixtrans-64.1-37175-73.5180177.9-177.60112.8N382 L383 E389 L390N382-K386 WeakPolarHBondContact O-CG 3.46Å; N382-K386 PolarHBondContact O-N 3.4Å; L383-K386 CarbonylContact O-C 3.58Å; L383-K386 WeakPolarHBondContact O-CB 3.43Å; L383-K386 PolarHBondContact O-N 2.96Å; L383-K386 VanDerWaalsContact O-N 3.15Å; K386-E389 WeakPolarHBondContact O-CB 3.49Å; K386-E389 PolarHBondContact O-N 2.99Å; K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 WeakPolarHBondContact O-CG 3.42Å; K386-L390 PolarHBondContact O-N 3.21Å
387E89.1Confident89.7Confident128 Ų128111 Ų11160%0.59853%0.53SS*.Hα-helixtrans-62.1-44.7174.1-175.4-177.3-165.600110.7L383 T385 E389 L390 E391L383-E387 WeakPolarHBondContact O-CB 3.23Å; L383-E387 PolarHBondContact O-N 3.49Å; T385-E387 VanDerWaalsContact C-N 3.34Å; T385-E387 PolarHBondContact O-N 3.1Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.27Å; E387-L390 PolarHBondContact O-N 2.92Å; E387-E391 WeakPolarHBondContact O-CB 3.45Å; E387-E391 PolarHBondContact O-N 3.38Å
388K89.2Confident89.6Confident132 Ų132109.8 Ų109.857%0.57453%0.529SS*.Hα-helixtrans-61.6-39.7173.5-74.7-173.5173.1-158.40112.8K384 T385 E391 S392K384-K388 WeakPolarHBondContact O-CG 3.39Å; K384-K388 PolarHBondContact O-N 2.69Å; K384-K388 VanDerWaalsContact O-N 3.1Å; T385-K388 WeakPolarHBondContact O-CB 3.34Å; T385-K388 PolarHBondContact O-N 2.94Å; K388-E391 PolarHBondContact O-N 2.98Å; K388-S392 WeakPolarHBondContact O-CB 3.41Å; K388-S392 PolarHBondContact O-N 3.29Å
389E90Very high89.5Confident120 Ų120107.5 Ų107.556%0.56153%0.528SS*.Hα-helixtrans-63.6-44.6174.2-72.7171.7-176.200111.5T385 K386 E387 E391 S392 I393T385-E389 WeakPolarHBondContact O-CG 3.38Å; T385-E389 PolarHBondContact O-N 3.43Å; K386-E389 WeakPolarHBondContact O-CB 3.49Å; K386-E389 PolarHBondContact O-N 2.99Å; E387-E389 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.27Å; E389-E391 VanDerWaalsContact C-N 3.34Å; E389-E391 PolarHBondContact O-N 3.17Å; E389-S392 WeakPolarHBondContact O-CB 3.4Å; E389-S392 PolarHBondContact O-N 3.39Å; E389-I393 VanDerWaalsContact O-CG1 3.29Å; E389-I393 WeakPolarHBondContact O-CG1 3.35Å; E389-I393 PolarHBondContact O-N 3.17Å
390L87.6Confident89.4Confident116 Ų116107 Ų10761%0.60753%0.526SS*.Hα-helixtrans-63.6-38.3176-75.6173.1000112.1K386 E387 I393 R394K386-L390 WeakPolarHBondContact O-CB 3.43Å; K386-L390 WeakPolarHBondContact O-CG 3.42Å; K386-L390 PolarHBondContact O-N 3.21Å; E387-L390 PolarHBondContact O-N 2.92Å; L390-I393 PolarHBondContact O-N 3.42Å; L390-R394 WeakPolarHBondContact O-CB 3.32Å; L390-R394 PolarHBondContact O-N 3.39Å
391E89.6Confident89.3Confident91 Ų91107.7 Ų107.743%0.42553%0.526SS..Hα-helixtrans-68-37.5176.5-165.556.2-138.100111.6E387 K388 E389 R394 S395E387-E391 WeakPolarHBondContact O-CB 3.45Å; E387-E391 PolarHBondContact O-N 3.38Å; K388-E391 PolarHBondContact O-N 2.98Å; E389-E391 VanDerWaalsContact C-N 3.34Å; E389-E391 PolarHBondContact O-N 3.17Å; E391-R394 PolarHBondContact O-N 2.97Å; E391-R394 IonicContact OE2-NH1 3.79Å; E391-S395 WeakPolarHBondContact O-CB 3.38Å; E391-S395 PolarHBondContact O-N 2.7Å; E391-S395 PolarHBondContact O-OG 3.26Å
392S90Very high89.2Confident79 Ų79104.6 Ų104.655%0.55252%0.518SS*.Hα-helixtrans-62.9-44.2170.7-178.70000111.8K388 E389 S395 R396K388-S392 WeakPolarHBondContact O-CB 3.41Å; K388-S392 PolarHBondContact O-N 3.29Å; E389-S392 WeakPolarHBondContact O-CB 3.4Å; E389-S392 PolarHBondContact O-N 3.39Å; S392-S395 PolarHBondContact O-N 2.93Å; S392-R396 WeakPolarHBondContact O-CB 3.36Å; S392-R396 PolarHBondContact O-N 3.42Å
393I88.1Confident89.1Confident83 Ų83105.3 Ų105.343%0.42652%0.522SS..Hα-helixtrans-63.5-42.7175.8-68.8165.3000110.9E389 L390 R396 L397E389-I393 VanDerWaalsContact O-CG1 3.29Å; E389-I393 WeakPolarHBondContact O-CG1 3.35Å; E389-I393 PolarHBondContact O-N 3.17Å; L390-I393 PolarHBondContact O-N 3.42Å; I393-R396 PolarHBondContact O-N 3.01Å; I393-L397 WeakPolarHBondContact O-CB 3.49Å; I393-L397 PolarHBondContact O-N 3.47Å
394R88.8Confident88.9Confident160 Ų160106.3 Ų106.360%0.60452%0.524SS*.Hα-helixtrans-62.6-46.7177.6-178.2-175.7-80.4175.1-7.3111.1L390 E391 R396 L397 S398L390-R394 WeakPolarHBondContact O-CB 3.32Å; L390-R394 PolarHBondContact O-N 3.39Å; E391-R394 PolarHBondContact O-N 2.97Å; E391-R394 IonicContact OE2-NH1 3.79Å; R394-R396 VanDerWaalsContact C-N 3.29Å; R394-R396 PolarHBondContact O-N 2.88Å; R394-L397 WeakPolarHBondContact O-CB 3.44Å; R394-L397 PolarHBondContact O-N 3.43Å; R394-L397 VanDerWaalsContact O-N 3.14Å; R394-S398 PolarHBondContact O-N 3.18Å
395S88.6Confident88.8Confident67 Ų67104.8 Ų104.847%0.46952%0.519SS..Hα-helixtrans-58.9-42.3175.6-63.80000111.5E391 S392 S398 S399E391-S395 WeakPolarHBondContact O-CB 3.38Å; E391-S395 PolarHBondContact O-N 2.7Å; E391-S395 PolarHBondContact O-OG 3.26Å; S392-S395 PolarHBondContact O-N 2.93Å; S395-S398 PolarHBondContact O-N 3.41Å; S395-S399 PolarHBondContact O-N 3.39Å; S395-S399 PolarHBondContact O-OG 3.2Å
396R90.9Very high88.8Confident163 Ų163105.9 Ų105.962%0.61552%0.519SS*.Hα-helixtrans-66-38.1174.9-173.4177.566.1171.2-0.2112.7S392 I393 R394 S399 Q400S392-R396 WeakPolarHBondContact O-CB 3.36Å; S392-R396 PolarHBondContact O-N 3.42Å; I393-R396 PolarHBondContact O-N 3.01Å; R394-R396 VanDerWaalsContact C-N 3.29Å; R394-R396 PolarHBondContact O-N 2.88Å; R396-S399 WeakPolarHBondContact CA-OG 3.5Å; R396-S399 PolarHBondContact O-N 3.46Å; R396-S399 PolarHBondContact O-OG 3.29Å; R396-Q400 WeakPolarHBondContact O-CB 3.42Å; R396-Q400 PolarHBondContact O-N 3.48Å
397L90Very high88.7Confident92 Ų92103.8 Ų103.848%0.48251%0.513SS..Hα-helixtrans-65.9-42.9176.6-176.367.1000110.8I393 R394 Q400 Q401I393-L397 WeakPolarHBondContact O-CB 3.49Å; I393-L397 PolarHBondContact O-N 3.47Å; R394-L397 WeakPolarHBondContact O-CB 3.44Å; R394-L397 PolarHBondContact O-N 3.43Å; R394-L397 VanDerWaalsContact O-N 3.14Å; L397-Q400 PolarHBondContact O-N 2.98Å; L397-Q401 WeakPolarHBondContact O-CG 3.42Å; L397-Q401 PolarHBondContact O-N 2.91Å
398S90Very high88.6Confident67 Ų67101.5 Ų101.547%0.46951%0.508SS..Hα-helixtrans-63.6-41.9175-77.20000112.5R394 S395 Q400 Q401 E402R394-S398 PolarHBondContact O-N 3.18Å; S395-S398 PolarHBondContact O-N 3.41Å; S398-Q400 VanDerWaalsContact C-N 3.31Å; S398-Q400 PolarHBondContact O-N 3.35Å; S398-Q401 PolarHBondContact O-N 2.92Å; S398-E402 PolarHBondContact O-N 2.94Å
399S87.7Confident88.4Confident73 Ų73100.2 Ų100.251%0.5150%0.504SS..Hα-helixtrans-66.2-34.7175.865.60000112.4S395 R396 E402 L403S395-S399 PolarHBondContact O-N 3.39Å; S395-S399 PolarHBondContact O-OG 3.2Å; R396-S399 WeakPolarHBondContact CA-OG 3.5Å; R396-S399 PolarHBondContact O-N 3.46Å; R396-S399 PolarHBondContact O-OG 3.29Å; S399-E402 PolarHBondContact O-N 3.08Å; S399-L403 WeakPolarHBondContact O-CB 3.46Å; S399-L403 PolarHBondContact O-N 3.47Å
400Q87.6Confident88.2Confident100 Ų100100.4 Ų100.447%0.46751%0.506SS..Hα-helixtrans-66.9-41.7172.9-174.2175.3-14.400112R396 L397 S398 E402 L403 E404R396-Q400 WeakPolarHBondContact O-CB 3.42Å; R396-Q400 PolarHBondContact O-N 3.48Å; L397-Q400 PolarHBondContact O-N 2.98Å; S398-Q400 VanDerWaalsContact C-N 3.31Å; S398-Q400 PolarHBondContact O-N 3.35Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; Q400-L403 PolarHBondContact O-N 2.99Å; Q400-E404 PolarHBondContact O-N 3.09Å
401Q88Confident88.2Confident111 Ų111100.2 Ų100.252%0.51950%0.501SS..Hα-helixtrans-62.4-40.4174.9-76176.1-22.800112L397 S398 E404 H405L397-Q401 WeakPolarHBondContact O-CG 3.42Å; L397-Q401 PolarHBondContact O-N 2.91Å; S398-Q401 PolarHBondContact O-N 2.92Å; Q401-E404 PolarHBondContact O-N 3.42Å; Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.68Å
402E88.8Confident88.1Confident99 Ų9999.7 Ų99.746%0.46350%0.503SS..Hα-helixtrans-64.7-43175-178.556.9-151.400111.5S398 S399 Q400 E404 H405 Q406S398-E402 PolarHBondContact O-N 2.94Å; S399-E402 PolarHBondContact O-N 3.08Å; Q400-E402 VanDerWaalsContact C-N 3.34Å; E402-E404 PolarHBondContact O-N 3.08Å; E402-H405 WeakPolarHBondContact O-CB 3.45Å; E402-H405 PolarHBondContact O-N 3.43Å; E402-Q406 WeakPolarHBondContact O-CG 3.33Å; E402-Q406 PolarHBondContact O-N 3.42Å; E402-Q406 PolarHBondContact OE1-NE2 2.96Å
403L88.3Confident88Confident116 Ų116100.3 Ų100.361%0.60750%0.504SS*.Hα-helixtrans-63.4-40.8175.1-165.581.5000111.8S399 Q400 H405 Q406 L407S399-L403 WeakPolarHBondContact O-CB 3.46Å; S399-L403 PolarHBondContact O-N 3.47Å; Q400-L403 PolarHBondContact O-N 2.99Å; L403-H405 VanDerWaalsContact C-N 3.32Å; L403-Q406 PolarHBondContact O-N 3.05Å; L403-L407 VanDerWaalsContact O-CB 3.29Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 PolarHBondContact O-N 3.5Å
404E86.1Confident87.7Confident106 Ų10698.6 Ų98.650%0.49550%0.502SS..Hα-helixtrans-62.9-38.7173.4-81.3-178.7177.600111.8Q400 Q401 E402 T408Q400-E404 PolarHBondContact O-N 3.09Å; Q401-E404 PolarHBondContact O-N 3.42Å; E402-E404 PolarHBondContact O-N 3.08Å; E404-T408 WeakPolarHBondContact O-CB 3.42Å; E404-T408 PolarHBondContact O-N 3.47Å; E404-T408 PolarHBondContact O-OG1 3.31Å
405H88Confident87.6Confident100 Ų10099.4 Ų99.446%0.46351%0.505SS..Hα-helixtrans-64.2-47.5175-16769.2000111.3Q401 E402 L403 T408 Q409Q401-H405 WeakPolarHBondContact O-CB 3.38Å; Q401-H405 PolarHBondContact O-N 2.68Å; E402-H405 WeakPolarHBondContact O-CB 3.45Å; E402-H405 PolarHBondContact O-N 3.43Å; L403-H405 VanDerWaalsContact C-N 3.32Å; H405-T408 WeakPolarHBondContact O-CB 3.49Å; H405-T408 PolarHBondContact O-N 3.01Å; H405-T408 VanDerWaalsContact O-N 3.16Å; H405-Q409 PolarHBondContact CD2-NE2 3.15Å; H405-Q409 PolarHBondContact NE2-NE2 3.14Å; H405-Q409 WeakPolarHBondContact O-CG 3.32Å; H405-Q409 PolarHBondContact O-N 2.94Å
406Q88.6Confident87.5Confident96 Ų96101.7 Ų101.745%0.44951%0.511SS..Hα-helixtrans-63.1-41.9176.2-70.7176.314.600112.4E402 L403 T408 Q409 M410E402-Q406 WeakPolarHBondContact O-CG 3.33Å; E402-Q406 PolarHBondContact O-N 3.42Å; E402-Q406 PolarHBondContact OE1-NE2 2.96Å; L403-Q406 PolarHBondContact O-N 3.05Å; Q406-T408 VanDerWaalsContact C-N 3.27Å; Q406-T408 PolarHBondContact O-N 3.46Å; Q406-Q409 PolarHBondContact O-N 3.42Å; Q406-M410 WeakPolarHBondContact O-CB 3.48Å; Q406-M410 PolarHBondContact O-N 2.96Å
407L88.4Confident87.2Confident80 Ų8095.9 Ų95.942%0.41950%0.498SS..Hα-helixtrans-60.5-40.4174-175.277.8000110.9L403 M410 K411L403-L407 VanDerWaalsContact O-CB 3.29Å; L403-L407 WeakPolarHBondContact O-CB 3.48Å; L403-L407 PolarHBondContact O-N 3.5Å; L407-M410 HydrophobicContact CD1-CE 4.18Å; L407-M410 PolarHBondContact O-N 3.32Å; L407-K411 WeakPolarHBondContact O-CB 3.5Å; L407-K411 VanDerWaalsContact O-CG 3.28Å; L407-K411 WeakPolarHBondContact O-CG 3.31Å; L407-K411 PolarHBondContact O-N 2.91Å
408T86.6Confident87Confident80 Ų8096.7 Ų96.749%0.49150%0.503SS..Hα-helixtrans-66.3-44.3177.2-56.60000111E404 H405 Q406 K411 V412E404-T408 WeakPolarHBondContact O-CB 3.42Å; E404-T408 PolarHBondContact O-N 3.47Å; E404-T408 PolarHBondContact O-OG1 3.31Å; H405-T408 WeakPolarHBondContact O-CB 3.49Å; H405-T408 PolarHBondContact O-N 3.01Å; H405-T408 VanDerWaalsContact O-N 3.16Å; Q406-T408 VanDerWaalsContact C-N 3.27Å; Q406-T408 PolarHBondContact O-N 3.46Å; T408-K411 WeakPolarHBondContact O-CB 3.4Å; T408-K411 PolarHBondContact O-N 3.06Å; T408-V412 WeakPolarHBondContact O-CG2 3.45Å; T408-V412 PolarHBondContact O-N 2.89Å; T408-V412 VanDerWaalsContact O-N 3.09Å
409Q85.8Confident86.8Confident105 Ų10597 Ų9749%0.49151%0.505SS..Hα-helixtrans-60.9-45.7173.7-70.7-176.66.400111.9H405 Q406 K411 V412 V413H405-Q409 PolarHBondContact CD2-NE2 3.15Å; H405-Q409 PolarHBondContact NE2-NE2 3.14Å; H405-Q409 WeakPolarHBondContact O-CG 3.32Å; H405-Q409 PolarHBondContact O-N 2.94Å; Q406-Q409 PolarHBondContact O-N 3.42Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.34Å; Q409-V412 WeakPolarHBondContact O-CA 3.37Å; Q409-V412 WeakPolarHBondContact O-CB 3.49Å; Q409-V412 PolarHBondContact O-N 3.39Å; Q409-V413 WeakPolarHBondContact O-CG2 3.33Å; Q409-V413 PolarHBondContact O-N 3.4Å
410M84.4Confident86.9Confident124 Ų12499.7 Ų99.761%0.61151%0.51SS*.Hα-helixtrans-64.2-36.2179.1-167.9170.862.500111.8Q406 L407 V412 V413 A414Q406-M410 WeakPolarHBondContact O-CB 3.48Å; Q406-M410 PolarHBondContact O-N 2.96Å; L407-M410 HydrophobicContact CD1-CE 4.18Å; L407-M410 PolarHBondContact O-N 3.32Å; M410-V412 VanDerWaalsContact C-N 3.31Å; M410-V412 PolarHBondContact O-N 3.3Å; M410-V413 PolarHBondContact O-N 2.92Å; M410-A414 WeakPolarHBondContact O-CB 3.36Å; M410-A414 PolarHBondContact O-N 3.24Å
411K87.7Confident86.7Confident113 Ų11399.4 Ų99.449%0.49151%0.51SS..Hα-helixtrans-62.5-36.2170.5-78173.5178.6177.10112.4L407 T408 Q409 R415L407-K411 WeakPolarHBondContact O-CB 3.5Å; L407-K411 VanDerWaalsContact O-CG 3.28Å; L407-K411 WeakPolarHBondContact O-CG 3.31Å; L407-K411 PolarHBondContact O-N 2.91Å; T408-K411 WeakPolarHBondContact O-CB 3.4Å; T408-K411 PolarHBondContact O-N 3.06Å; Q409-K411 VanDerWaalsContact C-N 3.31Å; Q409-K411 PolarHBondContact O-N 3.34Å; K411-R415 VanDerWaalsContact O-CG 3.28Å; K411-R415 WeakPolarHBondContact O-CG 3.45Å; K411-R415 PolarHBondContact O-N 3.4Å
412V88.6Confident86.6Confident79 Ų79100.1 Ų100.148%0.47951%0.513SS..Hα-helixtrans-68.3-45.3174.8173.20000110.7T408 Q409 M410 R415 L416T408-V412 WeakPolarHBondContact O-CG2 3.45Å; T408-V412 PolarHBondContact O-N 2.89Å; T408-V412 VanDerWaalsContact O-N 3.09Å; Q409-V412 WeakPolarHBondContact O-CA 3.37Å; Q409-V412 WeakPolarHBondContact O-CB 3.49Å; Q409-V412 PolarHBondContact O-N 3.39Å; M410-V412 VanDerWaalsContact C-N 3.31Å; M410-V412 PolarHBondContact O-N 3.3Å; V412-R415 PolarHBondContact O-N 3.37Å; V412-L416 HydrophobicContact CG1-CD1 4.24Å; V412-L416 PolarHBondContact O-N 3.48Å; V412-L416 VanDerWaalsContact O-N 3.08Å
413V86.9Confident86.4Confident93 Ų93102.1 Ų102.156%0.56452%0.523SS*.Hα-helixtrans-63-43.6177.5175.50000111.7Q409 M410 R415 L416 A417Q409-V413 WeakPolarHBondContact O-CG2 3.33Å; Q409-V413 PolarHBondContact O-N 3.4Å; M410-V413 PolarHBondContact O-N 2.92Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.06Å; V413-L416 WeakPolarHBondContact O-CB 3.36Å; V413-L416 PolarHBondContact O-N 3.25Å; V413-L416 VanDerWaalsContact O-N 3.17Å; V413-A417 PolarHBondContact O-N 2.94Å
414A82.1Confident86.2Confident46 Ų46101.8 Ų101.838%0.3852%0.521SS..Hα-helixtrans-60.4-42.8176.600000111.8M410 L416 A417 D418M410-A414 WeakPolarHBondContact O-CB 3.36Å; M410-A414 PolarHBondContact O-N 3.24Å; A414-L416 VanDerWaalsContact C-N 3.31Å; A414-L416 PolarHBondContact O-N 3.12Å; A414-A417 PolarHBondContact O-N 3.12Å; A414-D418 WeakPolarHBondContact O-CB 3.35Å; A414-D418 PolarHBondContact O-N 3.39Å
415R85.6Confident86.2Confident178 Ų178101.5 Ų101.567%0.67252%0.522SS*.Hα-helixtrans-63.1-35175.2-73.4176.7-166.8179.93.9113.2K411 V412 V413 S419K411-R415 VanDerWaalsContact O-CG 3.28Å; K411-R415 WeakPolarHBondContact O-CG 3.45Å; K411-R415 PolarHBondContact O-N 3.4Å; V412-R415 PolarHBondContact O-N 3.37Å; V413-R415 VanDerWaalsContact C-N 3.34Å; V413-R415 PolarHBondContact O-N 3.06Å; R415-S419 PolarHBondContact O-N 3.49Å; R415-S419 VanDerWaalsContact O-N 3.16Å; R415-S419 PolarHBondContact O-OG 2.86Å
416L88.3Confident86.1Confident115 Ų11598.5 Ų98.560%0.60251%0.512SS*.Hα-helixtrans-67.5-47.7174.3-78.9161.7000110.9V412 V413 A414 D418 S419 E420V412-L416 HydrophobicContact CG1-CD1 4.24Å; V412-L416 PolarHBondContact O-N 3.48Å; V412-L416 VanDerWaalsContact O-N 3.08Å; V413-L416 WeakPolarHBondContact O-CB 3.36Å; V413-L416 PolarHBondContact O-N 3.25Å; V413-L416 VanDerWaalsContact O-N 3.17Å; A414-L416 VanDerWaalsContact C-N 3.31Å; A414-L416 PolarHBondContact O-N 3.12Å; L416-D418 PolarHBondContact O-N 3.23Å; L416-S419 WeakPolarHBondContact O-CB 3.33Å; L416-S419 PolarHBondContact O-N 3.3Å; L416-S419 VanDerWaalsContact O-N 3.15Å; L416-E420 PolarHBondContact O-N 3.2Å
417A83.4Confident85.9Confident40 Ų4098.4 Ų98.433%0.33151%0.511SS..Hα-helixtrans-61.6-42177.500000112.2V413 A414 S419 E420 I421V413-A417 PolarHBondContact O-N 2.94Å; A414-A417 PolarHBondContact O-N 3.12Å; A417-S419 VanDerWaalsContact C-N 3.29Å; A417-S419 PolarHBondContact O-N 2.98Å; A417-E420 PolarHBondContact O-N 2.71Å; A417-I421 WeakPolarHBondContact O-CB 3.45Å; A417-I421 VanDerWaalsContact O-CG1 3.31Å; A417-I421 WeakPolarHBondContact O-CG1 3.39Å; A417-I421 PolarHBondContact O-N 2.94Å
418D86.4Confident85.8Confident109 Ų109102.6 Ų102.658%0.58352%0.522SS*.Hα-helixtrans-61-39.2174.8-75.9-22.9000111.5A414 L416 H422A414-D418 WeakPolarHBondContact O-CB 3.35Å; A414-D418 PolarHBondContact O-N 3.39Å; L416-D418 PolarHBondContact O-N 3.23Å; D418-H422 VanDerWaalsContact O-CB 3.3Å; D418-H422 WeakPolarHBondContact O-CB 3.44Å; D418-H422 PolarHBondContact O-N 2.9Å
419S86.2Confident85.6Confident74 Ų74105.3 Ų105.352%0.51753%0.529SS..Hα-helixtrans-66.2-41175.8-59.80000111.7R415 L416 A417 H422 E423R415-S419 PolarHBondContact O-N 3.49Å; R415-S419 VanDerWaalsContact O-N 3.16Å; R415-S419 PolarHBondContact O-OG 2.86Å; L416-S419 WeakPolarHBondContact O-CB 3.33Å; L416-S419 PolarHBondContact O-N 3.3Å; L416-S419 VanDerWaalsContact O-N 3.15Å; A417-S419 VanDerWaalsContact C-N 3.29Å; A417-S419 PolarHBondContact O-N 2.98Å; S419-H422 WeakPolarHBondContact O-CB 3.4Å; S419-H422 PolarHBondContact O-N 2.9Å; S419-E423 PolarHBondContact O-N 3.35Å
420E89.4Confident85.6Confident130 Ų130107 Ų10761%0.60753%0.53SS*.Hα-helixtrans-69.4-42.6179-170.2173.3-168.300112.4L416 A417 H422 E423 L424L416-E420 PolarHBondContact O-N 3.2Å; A417-E420 PolarHBondContact O-N 2.71Å; E420-H422 VanDerWaalsContact C-N 3.28Å; E420-H422 PolarHBondContact O-N 3.49Å; E420-E423 PolarHBondContact O-N 2.99Å; E420-L424 WeakPolarHBondContact O-CG 3.21Å; E420-L424 PolarHBondContact O-N 3.44Å
421I82.6Confident85.6Confident94 Ų94105.2 Ų105.248%0.48252%0.523SS..Hα-helixtrans-59.8-42.7172.9-69.4167.8000110.1A417 E423 L424 L425A417-I421 WeakPolarHBondContact O-CB 3.45Å; A417-I421 VanDerWaalsContact O-CG1 3.31Å; A417-I421 WeakPolarHBondContact O-CG1 3.39Å; A417-I421 PolarHBondContact O-N 2.94Å; I421-E423 PolarHBondContact O-N 2.94Å; I421-L424 PolarHBondContact O-N 3.21Å; I421-L425 HydrophobicContact CG2-CD1 3.89Å; I421-L425 HydrophobicContact CG2-CG 4.32Å; I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 WeakPolarHBondContact O-CG 3.34Å; I421-L425 PolarHBondContact O-N 3.35Å
422H86.9Confident85.2Confident125 Ų125104.2 Ų104.258%0.57952%0.523SS*.Hα-helixtrans-61.7-41.6176.9-172.665.2000112.1D418 S419 E420 C426D418-H422 VanDerWaalsContact O-CB 3.3Å; D418-H422 WeakPolarHBondContact O-CB 3.44Å; D418-H422 PolarHBondContact O-N 2.9Å; S419-H422 WeakPolarHBondContact O-CB 3.4Å; S419-H422 PolarHBondContact O-N 2.9Å; E420-H422 VanDerWaalsContact C-N 3.28Å; E420-H422 PolarHBondContact O-N 3.49Å; H422-C426 WeakPolarHBondContact O-CB 3.35Å; H422-C426 PolarHBondContact O-N 2.94Å; H422-C426 PolarHBondContact O-SG 3.37Å
423E84.9Confident84.8Confident142 Ų142103.1 Ų103.166%0.66452%0.522SS*.Hα-helixtrans-64.3-43.4174.2-76.6-161.6169.500113S419 E420 I421 C426 H427S419-E423 PolarHBondContact O-N 3.35Å; E420-E423 PolarHBondContact O-N 2.99Å; I421-E423 PolarHBondContact O-N 2.94Å; E423-C426 PolarHBondContact O-N 3.33Å; E423-H427 WeakPolarHBondContact O-CB 3.38Å; E423-H427 PolarHBondContact O-N 3.44Å
424L84.2Confident84.4Confident109 Ų109107.2 Ų107.257%0.57153%0.527SS*.Hα-helixtrans-64.3-40.9177.9-73.8172.7000112E420 I421 H427 R428E420-L424 WeakPolarHBondContact O-CG 3.21Å; E420-L424 PolarHBondContact O-N 3.44Å; I421-L424 PolarHBondContact O-N 3.21Å; L424-H427 PolarHBondContact O-N 3.19Å; L424-R428 WeakPolarHBondContact O-CB 3.33Å; L424-R428 PolarHBondContact O-N 3.02Å
425L85.1Confident84.1Confident99 Ų99107.9 Ų107.952%0.51853%0.529SS..Hα-helixtrans-63.7-46174.8-73.8172.2000111.1I421 H427 R428 E429I421-L425 HydrophobicContact CG2-CD1 3.89Å; I421-L425 HydrophobicContact CG2-CG 4.32Å; I421-L425 WeakPolarHBondContact O-CB 3.49Å; I421-L425 WeakPolarHBondContact O-CG 3.34Å; I421-L425 PolarHBondContact O-N 3.35Å; L425-H427 PolarHBondContact O-N 3.5Å; L425-R428 PolarHBondContact O-N 3.06Å; L425-E429 PolarHBondContact O-N 3.45Å
426C86.8Confident83.7Confident38 Ų38106 Ų10626%0.25753%0.528SS..Hα-helixtrans-59.9-35.6173.9-710000112.2H422 E423 R430H422-C426 WeakPolarHBondContact O-CB 3.35Å; H422-C426 PolarHBondContact O-N 2.94Å; H422-C426 PolarHBondContact O-SG 3.37Å; E423-C426 PolarHBondContact O-N 3.33Å; C426-R430 WeakPolarHBondContact O-CG 3.36Å; C426-R430 PolarHBondContact O-N 3.46Å; C426-R430 PolarHBondContact O-NE 3.05Å
427H83.9Confident83.1Confident93 Ų93103.4 Ų103.443%0.43152%0.523SS..Hα-helixtrans-70-43.9175.9-173.275.8000112.1E423 L424 L425 R430 L431E423-H427 WeakPolarHBondContact O-CB 3.38Å; E423-H427 PolarHBondContact O-N 3.44Å; L424-H427 PolarHBondContact O-N 3.19Å; L425-H427 PolarHBondContact O-N 3.5Å; H427-R430 PolarHBondContact ND1-NH1 3.22Å; H427-R430 WeakPolarHBondContact O-CB 3.5Å; H427-R430 PolarHBondContact O-N 3.26Å; H427-L431 WeakPolarHBondContact O-CG 3.41Å; H427-L431 PolarHBondContact O-N 2.97Å
428R85.4Confident82.7Confident168 Ų168108 Ų10863%0.63454%0.538SS*.Hα-helixtrans-63.2-42.8176.7179.5168.8173.4165.6-2.7111.9L424 L425 R430 L431 L432L424-R428 WeakPolarHBondContact O-CB 3.33Å; L424-R428 PolarHBondContact O-N 3.02Å; L425-R428 PolarHBondContact O-N 3.06Å; R428-R430 VanDerWaalsContact C-N 3.3Å; R428-R430 PolarHBondContact O-N 2.94Å; R428-L431 PolarHBondContact O-N 3.04Å; R428-L431 VanDerWaalsContact O-N 3.16Å; R428-L432 HydrophobicContact CG-CD1 4.04Å; R428-L432 HydrophobicContact CG-CG 4.35Å; R428-L432 WeakPolarHBondContact O-CG 3.48Å; R428-L432 PolarHBondContact O-N 3.27Å
429E83.3Confident81.9Confident137 Ų137106.6 Ų106.664%0.6454%0.535SS*.Hα-helixtrans-59.9-41.4173.7-81.2-177.9157.100111.6L425 L431 L432 A433L425-E429 PolarHBondContact O-N 3.45Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 2.69Å; E429-L432 PolarHBondContact O-N 2.98Å; E429-A433 WeakPolarHBondContact O-CB 3.4Å; E429-A433 PolarHBondContact O-N 2.89Å
430R86.6Confident81.3Confident140 Ų140107 Ų10753%0.52854%0.535SS..Hα-helixtrans-61.4-39.3173.4-80.4-179.8-104.2121.9-6.1112.9C426 H427 R428 R434C426-R430 WeakPolarHBondContact O-CG 3.36Å; C426-R430 PolarHBondContact O-N 3.46Å; C426-R430 PolarHBondContact O-NE 3.05Å; H427-R430 PolarHBondContact ND1-NH1 3.22Å; H427-R430 WeakPolarHBondContact O-CB 3.5Å; H427-R430 PolarHBondContact O-N 3.26Å; R428-R430 VanDerWaalsContact C-N 3.3Å; R428-R430 PolarHBondContact O-N 2.94Å; R430-R434 WeakPolarHBondContact O-CG 3.28Å; R430-R434 PolarHBondContact O-N 3.29Å
431L83.2Confident80.3Confident88 Ų88103.7 Ų103.746%0.46153%0.529SS..Hα-helixtrans-70.1-43.3177-72.4175.9000112.2H427 R428 E429 R434 S435H427-L431 WeakPolarHBondContact O-CG 3.41Å; H427-L431 PolarHBondContact O-N 2.97Å; R428-L431 PolarHBondContact O-N 3.04Å; R428-L431 VanDerWaalsContact O-N 3.16Å; E429-L431 VanDerWaalsContact C-N 3.34Å; E429-L431 PolarHBondContact O-N 2.69Å; L431-R434 WeakPolarHBondContact O-CB 3.43Å; L431-R434 PolarHBondContact O-N 3.17Å; L431-S435 PolarHBondContact O-N 3.2Å
432L79.5Confident79.5Confident92 Ų92105.5 Ų105.548%0.48254%0.536SS..Hα-helixtrans-61.8-44176.2-72.9171.9000111R428 E429 R434 S435 E436R428-L432 HydrophobicContact CG-CD1 4.04Å; R428-L432 HydrophobicContact CG-CG 4.35Å; R428-L432 WeakPolarHBondContact O-CG 3.48Å; R428-L432 PolarHBondContact O-N 3.27Å; E429-L432 PolarHBondContact O-N 2.98Å; L432-R434 VanDerWaalsContact C-N 3.28Å; L432-R434 PolarHBondContact O-N 3.04Å; L432-S435 PolarHBondContact O-N 2.78Å; L432-E436 PolarHBondContact O-N 3.49Å
433A79.5Confident78.3Confident56 Ų56101.9 Ų101.946%0.46353%0.527SS..Hα-helixtrans-61-36175.600000112.7E429 A437E429-A433 WeakPolarHBondContact O-CB 3.4Å; E429-A433 PolarHBondContact O-N 2.89Å; A433-A437 WeakPolarHBondContact O-CB 3.19Å; A433-A437 PolarHBondContact O-N 3.43Å; A433-A437 VanDerWaalsContact O-N 3.08Å
434R78.8Confident77.3Confident179 Ų17999.7 Ų99.768%0.67552%0.52SS*.Hα-helixtrans-67.7-46173.1-75.9-180-176.1-167.70.9112R430 L431 L432 A437 E438R430-R434 WeakPolarHBondContact O-CG 3.28Å; R430-R434 PolarHBondContact O-N 3.29Å; L431-R434 WeakPolarHBondContact O-CB 3.43Å; L431-R434 PolarHBondContact O-N 3.17Å; L432-R434 VanDerWaalsContact C-N 3.28Å; L432-R434 PolarHBondContact O-N 3.04Å; R434-A437 PolarHBondContact O-N 3.22Å; R434-E438 PolarHBondContact O-N 3.28Å
435S76.5Confident76Confident60 Ų6097.9 Ų97.942%0.4252%0.517SS..Hα-helixtrans-61.9-43.3178.2165.90000112L431 L432 E438 C439L431-S435 PolarHBondContact O-N 3.2Å; L432-S435 PolarHBondContact O-N 2.78Å; S435-E438 PolarHBondContact O-N 3.29Å; S435-C439 PolarHBondContact O-N 3.08Å
436E77.7Confident74.3Confident138 Ų13899.4 Ų99.465%0.64553%0.525SS*.Hα-helixtrans-63.8-42.6174.8-85.4-173.7149.700111.5L432 E438 C439 V440L432-E436 PolarHBondContact O-N 3.49Å; E436-E438 VanDerWaalsContact C-N 3.29Å; E436-E438 PolarHBondContact O-N 3.45Å; E436-C439 PolarHBondContact O-N 3.31Å; E436-V440 WeakPolarHBondContact O-CB 3.17Å; E436-V440 VanDerWaalsContact O-CG2 3.29Å; E436-V440 WeakPolarHBondContact O-CG2 3.38Å; E436-V440 PolarHBondContact O-N 2.99Å
437A75Confident72.6Confident61 Ų61104.2 Ų104.250%0.50455%0.547SS..Hα-helixtrans-61-38.5175.700000112.2A433 R434 A441A433-A437 WeakPolarHBondContact O-CB 3.19Å; A433-A437 PolarHBondContact O-N 3.43Å; A433-A437 VanDerWaalsContact O-N 3.08Å; R434-A437 PolarHBondContact O-N 3.22Å; A437-A441 WeakPolarHBondContact O-CB 3.3Å; A437-A441 PolarHBondContact O-N 3Å
438E75Confident70.7Confident137 Ų137110.1 Ų110.164%0.6457%0.565SS**Hα-helixtrans-66.4-45.3174.1-78.7178.5175.700112.4R434 S435 E436 V440 A441 Q442R434-E438 PolarHBondContact O-N 3.28Å; S435-E438 PolarHBondContact O-N 3.29Å; E436-E438 VanDerWaalsContact C-N 3.29Å; E436-E438 PolarHBondContact O-N 3.45Å; E438-V440 PolarHBondContact O-N 3.34Å; E438-A441 PolarHBondContact O-N 2.91Å; E438-Q442 PolarHBondContact O-N 3.47Å
439C68.6Low68.4Low78 Ų78108 Ų10853%0.52757%0.566SS.*Hα-helixtrans-61.3-42.9175.8-89.10000112S435 E436 A441 Q442 A443S435-C439 PolarHBondContact O-N 3.08Å; E436-C439 PolarHBondContact O-N 3.31Å; C439-A441 VanDerWaalsContact C-N 3.34Å; C439-Q442 PolarHBondContact O-N 3.12Å; C439-A443 WeakPolarHBondContact O-CB 3.47Å; C439-A443 PolarHBondContact O-N 3.32Å
440V74.7Confident65.9Low84 Ų84110.5 Ų110.551%0.50958%0.578SS.*Hα-helixtrans-65.3-39176.5171.80000110.9E436 E438 A443 N444E436-V440 WeakPolarHBondContact O-CB 3.17Å; E436-V440 VanDerWaalsContact O-CG2 3.29Å; E436-V440 WeakPolarHBondContact O-CG2 3.38Å; E436-V440 PolarHBondContact O-N 2.99Å; E438-V440 PolarHBondContact O-N 3.34Å; V440-A443 PolarHBondContact O-N 3.14Å; V440-N444 WeakPolarHBondContact O-CB 3.1Å; V440-N444 VanDerWaalsContact O-CG 3.25Å; V440-N444 PolarHBondContact O-N 2.85Å; V440-N444 PolarHBondContact O-ND2 2.94Å; V440-N444 VanDerWaalsContact O-ND2 3.16Å
441A68.9Low63.2Low59 Ų59107.1 Ų107.149%0.48859%0.587SS.*Hα-helixtrans-64.4-43.3174.900000112A437 E438 C439 N444 S445A437-A441 WeakPolarHBondContact O-CB 3.3Å; A437-A441 PolarHBondContact O-N 3Å; E438-A441 PolarHBondContact O-N 2.91Å; C439-A441 VanDerWaalsContact C-N 3.34Å; A441-N444 PolarHBondContact O-N 3.23Å; A441-S445 PolarHBondContact O-N 3.47Å
442Q65.7Low61Low133 Ų133108.6 Ų108.662%0.62160%0.602SS**Hα-helixtrans-63.2-46.7174.7-88.5-173.6-3.100112.1E438 C439 N444 S445 L446E438-Q442 PolarHBondContact O-N 3.47Å; C439-Q442 PolarHBondContact O-N 3.12Å; Q442-N444 VanDerWaalsContact C-N 3.32Å; Q442-N444 PolarHBondContact O-N 2.86Å; Q442-S445 WeakPolarHBondContact O-CB 3.45Å; Q442-S445 PolarHBondContact O-N 2.89Å; Q442-S445 VanDerWaalsContact O-N 3.08Å; Q442-S445 PolarHBondContact O-OG 3.49Å; Q442-L446 PolarHBondContact O-N 3.49Å
443A60.1Low58.6Low48 Ų48110.1 Ų110.140%0.39762%0.615SS.*Hα-helixtrans-59.3-43.8177.300000111.5C439 V440 S445 L446 I447C439-A443 WeakPolarHBondContact O-CB 3.47Å; C439-A443 PolarHBondContact O-N 3.32Å; V440-A443 PolarHBondContact O-N 3.14Å; A443-S445 VanDerWaalsContact C-N 3.29Å; A443-S445 PolarHBondContact O-N 3.14Å; A443-L446 PolarHBondContact O-N 3.4Å; A443-I447 VanDerWaalsContact O-CG1 3.31Å; A443-I447 WeakPolarHBondContact O-CG1 3.48Å; A443-I447 PolarHBondContact O-N 2.98Å; A443-I447 VanDerWaalsContact O-N 3.14Å
444N65.7Low56.3Low97 Ų97112 Ų11252%0.51963%0.625SS.*Hα-helixtrans-66-30.6176-74.9-30.2000112.9V440 A441 Q442V440-N444 WeakPolarHBondContact O-CB 3.1Å; V440-N444 VanDerWaalsContact O-CG 3.25Å; V440-N444 PolarHBondContact O-N 2.85Å; V440-N444 PolarHBondContact O-ND2 2.94Å; V440-N444 VanDerWaalsContact O-ND2 3.16Å; A441-N444 PolarHBondContact O-N 3.23Å; Q442-N444 VanDerWaalsContact C-N 3.32Å; Q442-N444 PolarHBondContact O-N 2.86Å
445S56Low54Low70 Ų70112.2 Ų112.249%0.4963%0.633SS.*Hα-helixtrans-71.1-38.4175.179.30000112.6A441 Q442 A443 R448A441-S445 PolarHBondContact O-N 3.47Å; Q442-S445 WeakPolarHBondContact O-CB 3.45Å; Q442-S445 PolarHBondContact O-N 2.89Å; Q442-S445 VanDerWaalsContact O-N 3.08Å; Q442-S445 PolarHBondContact O-OG 3.49Å; A443-S445 VanDerWaalsContact C-N 3.29Å; A443-S445 PolarHBondContact O-N 3.14Å; S445-R448 PolarHBondContact O-N 3.3Å
446L49.4Very low51.8Low132 Ų132114.7 Ų114.769%0.69165%0.646SS**Hα-helixtrans-66.3-37.1177.2-86.2156000112Q442 A443 R448Q442-L446 PolarHBondContact O-N 3.49Å; A443-L446 PolarHBondContact O-N 3.4Å; L446-R448 PolarHBondContact O-N 3.05Å
447I51.6Low49.5Very low139 Ų139115.2 Ų115.271%0.71365%0.652SS**Hα-helixtrans-66.3-24.6179.1-67.1164.5000112.2A443A443-I447 VanDerWaalsContact O-CG1 3.31Å; A443-I447 WeakPolarHBondContact O-CG1 3.48Å; A443-I447 PolarHBondContact O-N 2.98Å; A443-I447 VanDerWaalsContact O-N 3.14Å
448R44.4Very low47.5Very low216 Ų216118.7 Ų118.782%0.81567%0.667SS**THydrogen-bonded Turntrans-84.7-12.6-173.2-159175.3-79.6-167.6-3114.2S445 L446S445-R448 PolarHBondContact O-N 3.3Å; L446-R448 PolarHBondContact O-N 3.05Å
449N36.3Very low45.3Very low125 Ų125117.6 Ų117.667%0.66867%0.674SS**SBendtrans-131.798.1-178-73.2-34.3000113
450Q30.9Very low43.7Very low188 Ų188120.7 Ų120.788%0.87969%0.685SS**  trans88.9128.3151.6-51.7-173.717.800119.3
451G30.3Very low41.5Very low69 Ų69121.8 Ų121.871%0.71170%0.695SS**  trans-102.7-169.5148.400000110.7
452P36.2Very low39.7Very low120 Ų120124.8 Ų124.878%0.77970%0.703SS**  cis-126.6171.2-2937.1-21.1000113.2
453T30.2Very low38.4Very low123 Ų123125.6 Ų125.676%0.75571%0.711SS**  trans77.999.5162.550.80000120.2
454S29.9Very low37.3Very low96 Ų96133 Ų13367%0.67173%0.729SS**  90.4106.1124.8-54.50000119.2
455E30.4Very low36.1Very low183 Ų183133.7 Ų133.786%0.85574%0.74SS**  trans69.5128.2135.3-66.3178.8-176.700117.6
456T30.9Very low35.2Very low113 Ų113139.6 Ų139.669%0.69375%0.753SS**  cis-161.2123.5-2.5-73.10000106.6
457I29.6Very low34.6Very low148 Ų148139.1 Ų139.176%0.75976%0.761SS**  trans2.4114.8144.5-54.4165.4000116.2
458T32.3Very low34.2Very low134 Ų134136.9 Ų136.982%0.82276%0.757SS**  -165.792.5118.91.40000110.6L460T458-L460 PolarHBondContact O-N 3.05Å
459S29.8Very low33.9Very low114 Ų114135.7 Ų135.780%0.79776%0.761SS**  trans-81.6107.4164.656.20000109C461S459-C461 PolarHBondContact O-N 3.39Å
460L33.4Very low34Very low144 Ų144137 Ų13775%0.75477%0.768SS**  trans-63.6109166-133.780.1000108T458 D462T458-L460 PolarHBondContact O-N 3.05Å; L460-D462 PolarHBondContact O-N 2.71Å
461C29.7Very low34Very low107 Ų107133.7 Ų133.772%0.72376%0.764SS**  trans-87.988.8172.1-171.90000108.7S459 N463S459-C461 PolarHBondContact O-N 3.39Å; C461-N463 PolarHBondContact O-N 3.21Å
462D31.3Very low34.2Very low122 Ų122136 Ų13665%0.65277%0.766SS**  trans-81.682.4168.5-82.2-29.6000109.7L460L460-D462 PolarHBondContact O-N 2.71Å
463N37.9Very low33.8Very low149 Ų149139.1 Ų139.180%0.79777%0.77SS**  trans-102.992.5163.5-85.7-21000110C461 C465C461-N463 PolarHBondContact O-N 3.21Å; N463-C465 PolarHBondContact O-N 2.99Å
464R37.1Very low33.7Very low204 Ų204139.3 Ų139.377%0.7778%0.777SS**  trans-52.2124.8168.3-69174.6178.6-173.6-1.7110.8Y466R464-Y466 PolarHBondContact O-N 3.49Å; R464-Y466 VanDerWaalsContact O-N 3.08Å
465C41.1Very low33.6Very low111 Ų111138.1 Ų138.175%0.7577%0.772SS**  trans-69.198.5163.5-174.60000108.8N463N463-C465 PolarHBondContact O-N 2.99Å
466Y37.2Very low33.4Very low194 Ų194137.3 Ų137.376%0.76177%0.768SS**  trans-67.3127159.2-83.2-96.6000107.5R464R464-Y466 PolarHBondContact O-N 3.49Å; R464-Y466 VanDerWaalsContact O-N 3.08Å
467S35.6Very low33.2Very low123 Ų123136.5 Ų136.586%0.8676%0.763SS**  trans10643172.9-330000118.3
468C44.9Very low33Very low92 Ų92139.5 Ų139.562%0.62277%0.771SS**  trans-121.4108.9148.6800000110.8N470C468-N470 VanDerWaalsContact C-N 3.35Å; C468-N470 PolarHBondContact O-N 3.26Å
469E36.1Very low32.7Very low191 Ų191140.7 Ų140.789%0.89377%0.767SS**SBendtrans-66.293.5168.7-72.1178.8148.600108.5
470N38.9Very low32.5Very low153 Ų153140.2 Ų140.282%0.81876%0.764SS**  trans166.567.8149.4-81.6-27.4000109.1C468 P472C468-N470 VanDerWaalsContact C-N 3.35Å; C468-N470 PolarHBondContact O-N 3.26Å; N470-P472 VanDerWaalsContact O-CD 3.29Å; N470-P472 WeakPolarHBondContact O-CD 3.36Å
471C32.1Very low32Very low118 Ų118137.8 Ų137.880%0.79776%0.759SS**  trans-108.3100.1176.9-119.20000111.1
472P33.3Very low31.9Very low116 Ų116142.5 Ų142.575%0.75377%0.767SS**  trans-70.3137172.327.3-30.1000110.8N470 S474N470-P472 VanDerWaalsContact O-CD 3.29Å; N470-P472 WeakPolarHBondContact O-CD 3.36Å; P472-S474 PolarHBondContact O-N 3.01Å
473Q27.9Very low31.6Very low186 Ų186139.8 Ų139.887%0.86977%0.769SS**  trans-53.9129.2156.5-69.9167-21.400109.1A475Q473-A475 PolarHBondContact O-N 3.44Å
474S28.1Very low31.1Very low128 Ų128141.2 Ų141.290%0.89577%0.768SS**  trans-69.496.5166.857.80000109.1P472P472-S474 PolarHBondContact O-N 3.01Å
475A28.5Very low30.5Very low70 Ų70138.7 Ų138.758%0.57977%0.765SS**  trans-148.4102.6163.700000109.3Q473Q473-A475 PolarHBondContact O-N 3.44Å
476H26.4Very low30Very low167 Ų167140.9 Ų140.977%0.77377%0.768SS**  trans72.2102.9147.6-58.6-62.3000119.9
477T27.1Very low29.3Very low96 Ų96140 Ų14059%0.58977%0.771SS**  53.493.6107.8-37.90000116.5H479T477-H479 VanDerWaalsContact CG2-CD2 3.5Å; T477-H479 WeakPolarHBondContact CG2-CD2 3.23Å
478F24.7Very low29.1Very low211 Ų211144 Ų14493%0.92577%0.773SS**  trans-114.494.5137.2-89.2-83.2000109.2
479H24.8Very low28.3Very low159 Ų159144.6 Ų144.674%0.73678%0.778SS**  trans-50.4136.5146.6-89.9-88000109.3T477T477-H479 VanDerWaalsContact CG2-CD2 3.5Å; T477-H479 WeakPolarHBondContact CG2-CD2 3.23Å
480S25.8Very low27.7Very low103 Ų103141 Ų14172%0.7278%0.775SS**  161.2152.69574.50000111.8
481S24.5Very low27.4Very low94 Ų94138.6 Ų138.666%0.65778%0.776SS**  trans97.8128.6150.284.20000117.5
482F26.9Very low27.1Very low205 Ų205140.3 Ų140.390%0.89978%0.777SS**  trans76.388.7173.6-62-81.2000115.2
483G24.7Very low27Very low66 Ų66140.6 Ų140.668%0.6878%0.776SS**  cis113.5140.416.900000111
484K26.7Very low27.1Very low179 Ų179136.5 Ų136.578%0.77877%0.768SS**  trans80.1130.6172.8-59.3-174.6171.7-164.20114.7
485E24.8Very low27.3Very low150 Ų150138 Ų13870%0.70177%0.767SS**  cis-1731636.9-118.9154.4-173.700105.6
486L30.7Very low27.6Very low157 Ų157139.4 Ų139.482%0.82278%0.778SS**  trans90.683.3164.2-65142.3000119.1
487Q22.6Very low28.1Very low175 Ų175135.6 Ų135.682%0.81878%0.783SS**  22.8118.1121.7-63.5-178.6-1.100119.3
488F31.1Very low28.8Very low208 Ų208134.8 Ų134.891%0.91278%0.782SS**  trans-152.1109.2130.5-92.8-72.2000111
489S28.3Very low30Very low104 Ų104128.8 Ų128.873%0.72777%0.771SS**  trans42.2113.9138.2-44.40000123.1
490S24.8Very low31.2Very low117 Ų117128.6 Ų128.682%0.81877%0.771SS**  trans-15.2131.3145.156.70000119.7
491A30.7Very low32.5Very low102 Ų102128 Ų12884%0.84377%0.766SS**  -154.8120.9127.700000109.6
492D27.4Very low34.1Very low153 Ų153129.7 Ų129.782%0.81877%0.767SS**  trans-60.9169.8173.6-78.4-57.6000114
493V29.7Very low35.9Very low122 Ų122122.5 Ų122.574%0.73975%0.746SS**  trans98.894.2151.4-162.10000116.5
494S31.2Very low37.9Very low100 Ų100122.7 Ų122.770%0.69974%0.737SS**  34.799.7118-27.90000117.7
495N31.9Very low40Very low161 Ų161118.4 Ų118.486%0.86173%0.725SS**  164.6137122.5-97.6-20.5000110.8
496A34Very low42.5Very low99 Ų99115.1 Ų115.182%0.81872%0.715SS**  trans58.6116.7156.100000117.6
497G37.4Very low44.7Very low86 Ų86113.1 Ų113.189%0.88770%0.703SS**  trans-61.7147.2176.200000114.3
498S41.8Very low47.3Very low79 Ų79109.3 Ų109.355%0.55269%0.687SS**  trans-137.5157.715174.80000107.6E500S498-E500 PolarHBondContact O-N 2.95Å
499A49.9Very low49.6Very low85 Ų85104.7 Ų104.770%0.70267%0.672SS**THydrogen-bonded Turntrans-56.7-5.1-170.400000116.5S501 A503A499-S501 PolarHBondContact O-N 3.41Å; A499-A503 PolarHBondContact O-N 3Å
500E51.1Low52.1Low156 Ų156103.9 Ų103.973%0.72966%0.66SS**Hα-helixtrans-70-26.9-178.4-70.1173.6150.900113.5S498 A503 S504S498-E500 PolarHBondContact O-N 2.95Å; E500-A503 PolarHBondContact O-N 3.32Å; E500-S504 PolarHBondContact O-N 3.32Å; E500-S504 VanDerWaalsContact O-N 3.08Å
501S53.3Low54.9Low90 Ų90104 Ų10463%0.62965%0.647SS**Hα-helixtrans-70.8-39.7177.7-177.10000113A499 S504 V505A499-S501 PolarHBondContact O-N 3.41Å; S501-S504 PolarHBondContact O-N 2.87Å; S501-V505 PolarHBondContact O-N 2.6Å; S501-V505 VanDerWaalsContact O-N 3.13Å
502L56.8Low57.3Low130 Ų130103.5 Ų103.568%0.68163%0.63SS**Hα-helixtrans-66.7-38.4173.4-89.1161000111.6S504 V505 V506L502-S504 VanDerWaalsContact C-N 3.3Å; L502-S504 PolarHBondContact O-N 2.99Å; L502-V505 PolarHBondContact O-N 2.87Å; L502-V506 VanDerWaalsContact O-CG2 3.3Å; L502-V506 WeakPolarHBondContact O-CG2 3.49Å; L502-V506 PolarHBondContact O-N 2.78Å
503A64.9Low60Low54 Ų54102 Ų10245%0.44662%0.618SS.*Hα-helixtrans-60.8-40.1174.300000111.5A499 E500 V506 M507A499-A503 PolarHBondContact O-N 3Å; E500-A503 PolarHBondContact O-N 3.32Å; A503-V506 PolarHBondContact O-N 2.87Å; A503-M507 WeakPolarHBondContact O-CB 3.47Å; A503-M507 WeakPolarHBondContact O-CG 3.12Å; A503-M507 PolarHBondContact O-N 3.37Å
504S67Low62.6Low70 Ų70101.3 Ų101.349%0.4961%0.61SS.*Hα-helixtrans-66.4-41.3177.4-149.80000112.7E500 S501 L502 M507 I508E500-S504 PolarHBondContact O-N 3.32Å; E500-S504 VanDerWaalsContact O-N 3.08Å; S501-S504 PolarHBondContact O-N 2.87Å; L502-S504 VanDerWaalsContact C-N 3.3Å; L502-S504 PolarHBondContact O-N 2.99Å; S504-M507 PolarHBondContact O-N 2.88Å; S504-I508 WeakPolarHBondContact O-CG1 3.39Å; S504-I508 PolarHBondContact O-N 2.67Å
505V70.6Confident65.1Low89 Ų89102.3 Ų102.354%0.53961%0.607SS.*Hα-helixtrans-65.2-42175.2175.10000111.7S501 L502 M507 I508 N509S501-V505 PolarHBondContact O-N 2.6Å; S501-V505 VanDerWaalsContact O-N 3.13Å; L502-V505 PolarHBondContact O-N 2.87Å; V505-M507 VanDerWaalsContact C-N 3.35Å; V505-I508 PolarHBondContact O-N 3.08Å; V505-N509 WeakPolarHBondContact O-CB 3.36Å; V505-N509 PolarHBondContact O-N 3.45Å
506V77.3Confident67.7Low80 Ų80100 Ų10049%0.48559%0.591SS.*Hα-helixtrans-64.3-40.3175.5171.80000111.1L502 A503 N509 N510L502-V506 VanDerWaalsContact O-CG2 3.3Å; L502-V506 WeakPolarHBondContact O-CG2 3.49Å; L502-V506 PolarHBondContact O-N 2.78Å; A503-V506 PolarHBondContact O-N 2.87Å; V506-N509 PolarHBondContact O-N 3.38Å; V506-N510 WeakPolarHBondContact O-CB 3.44Å; V506-N510 VanDerWaalsContact O-CG 3.3Å; V506-N510 PolarHBondContact O-N 3.41Å
507M76.3Confident70.1Confident115 Ų11598.7 Ų98.757%0.56758%0.576SS**Hα-helixtrans-62.8-43.8175.9-74.9-74.2-71.300112A503 S504 V505 N509 N510 Q511A503-M507 WeakPolarHBondContact O-CB 3.47Å; A503-M507 WeakPolarHBondContact O-CG 3.12Å; A503-M507 PolarHBondContact O-N 3.37Å; S504-M507 PolarHBondContact O-N 2.88Å; V505-M507 VanDerWaalsContact C-N 3.35Å; M507-N509 VanDerWaalsContact C-N 3.35Å; M507-N510 PolarHBondContact O-N 2.76Å; M507-Q511 WeakPolarHBondContact O-CG 3.45Å; M507-Q511 PolarHBondContact O-N 3.01Å
508I78.2Confident72.4Confident96 Ų9697.1 Ų97.149%0.49256%0.555SS.*Hα-helixtrans-64.2-41.4175.3-68.2171.3000110.6S504 V505 N510 Q511 L512S504-I508 WeakPolarHBondContact O-CG1 3.39Å; S504-I508 PolarHBondContact O-N 2.67Å; V505-I508 PolarHBondContact O-N 3.08Å; I508-N510 PolarHBondContact O-N 3.07Å; I508-Q511 WeakPolarHBondContact O-CB 3.48Å; I508-Q511 PolarHBondContact O-N 2.81Å; I508-L512 WeakPolarHBondContact O-CB 3.37Å; I508-L512 PolarHBondContact O-N 3.45Å
509N79Confident74.5Confident110 Ų11097.8 Ų97.859%0.58856%0.555SS**Hα-helixtrans-67.2-37.7-179.8-154.246.3000112.1V505 V506 M507 L512 H513V505-N509 WeakPolarHBondContact O-CB 3.36Å; V505-N509 PolarHBondContact O-N 3.45Å; V506-N509 PolarHBondContact O-N 3.38Å; M507-N509 VanDerWaalsContact C-N 3.35Å; N509-L512 PolarHBondContact O-N 2.61Å; N509-H513 PolarHBondContact O-N 3.04Å
510N81.9Confident76.3Confident88 Ų8898.2 Ų98.247%0.47155%0.549SS..Hα-helixtrans-63.4-44171.3-73.3-15.4000111.3V506 M507 I508 L512 H513 D514V506-N510 WeakPolarHBondContact O-CB 3.44Å; V506-N510 VanDerWaalsContact O-CG 3.3Å; V506-N510 PolarHBondContact O-N 3.41Å; M507-N510 PolarHBondContact O-N 2.76Å; I508-N510 PolarHBondContact O-N 3.07Å; N510-L512 VanDerWaalsContact C-N 3.28Å; N510-L512 PolarHBondContact O-N 2.79Å; N510-H513 PolarHBondContact O-N 3.05Å; N510-D514 WeakPolarHBondContact O-CB 3.46Å; N510-D514 VanDerWaalsContact O-CG 3.27Å; N510-D514 PolarHBondContact O-N 3.14Å
511Q83.3Confident78.1Confident119 Ų11997 Ų9756%0.55654%0.541SS*.Hα-helixtrans-60.8-37.1174.9-74.9176.5-9.800112.4M507 I508 D514 L515M507-Q511 WeakPolarHBondContact O-CG 3.45Å; M507-Q511 PolarHBondContact O-N 3.01Å; I508-Q511 WeakPolarHBondContact O-CB 3.48Å; I508-Q511 PolarHBondContact O-N 2.81Å; Q511-D514 PolarHBondContact O-N 3.21Å; Q511-L515 WeakPolarHBondContact O-CB 3.4Å; Q511-L515 PolarHBondContact O-N 3.3Å
512L81.3Confident79.6Confident91 Ų9195.6 Ų95.648%0.47654%0.535SS..Hα-helixtrans-67.7-42.8177.5-135.3153000111I508 N509 N510 L515 E516I508-L512 WeakPolarHBondContact O-CB 3.37Å; I508-L512 PolarHBondContact O-N 3.45Å; N509-L512 PolarHBondContact O-N 2.61Å; N510-L512 VanDerWaalsContact C-N 3.28Å; N510-L512 PolarHBondContact O-N 2.79Å; L512-L515 WeakPolarHBondContact O-CB 3.33Å; L512-L515 PolarHBondContact O-N 2.67Å; L512-E516 HydrophobicContact CD2-CG 4.5Å; L512-E516 WeakPolarHBondContact O-CG 3.49Å; L512-E516 PolarHBondContact O-N 2.86Å
513H83.3Confident81Confident122 Ų12298.2 Ų98.257%0.56554%0.535SS*.Hα-helixtrans-65.2-40.4175-165.657.3000112.3N509 N510 L515 E516 S517N509-H513 PolarHBondContact O-N 3.04Å; N510-H513 PolarHBondContact O-N 3.05Å; H513-L515 VanDerWaalsContact C-N 3.31Å; H513-L515 PolarHBondContact O-N 3.03Å; H513-E516 PolarHBondContact O-N 3.09Å; H513-S517 WeakPolarHBondContact O-CB 3.41Å; H513-S517 PolarHBondContact O-N 3.38Å
514D84.6Confident82Confident108 Ų10899 Ų9958%0.57854%0.535SS*.Hα-helixtrans-62.7-39.5173.5-73.1-21.7000111.3N510 Q511 A518N510-D514 WeakPolarHBondContact O-CB 3.46Å; N510-D514 VanDerWaalsContact O-CG 3.27Å; N510-D514 PolarHBondContact O-N 3.14Å; Q511-D514 PolarHBondContact O-N 3.21Å; D514-A518 VanDerWaalsContact O-CB 3.27Å; D514-A518 WeakPolarHBondContact O-CB 3.45Å; D514-A518 PolarHBondContact O-N 3.5Å
515L83.3Confident82.9Confident120 Ų12099.4 Ų99.463%0.62853%0.532SS*.Hα-helixtrans-67.1-43.7176.4-145.494.6000111.8Q511 L512 H513 A518 V519Q511-L515 WeakPolarHBondContact O-CB 3.4Å; Q511-L515 PolarHBondContact O-N 3.3Å; L512-L515 WeakPolarHBondContact O-CB 3.33Å; L512-L515 PolarHBondContact O-N 2.67Å; H513-L515 VanDerWaalsContact C-N 3.31Å; H513-L515 PolarHBondContact O-N 3.03Å; L515-A518 PolarHBondContact O-N 3.47Å; L515-V519 VanDerWaalsContact O-CG2 3.3Å; L515-V519 WeakPolarHBondContact O-CG2 3.47Å; L515-V519 PolarHBondContact O-N 3.49Å
516E86.7Confident83.6Confident112 Ų112102 Ų10252%0.52353%0.533SS..Hα-helixtrans-60.7-46.5175.1-77.9-176.4161.500111.3L512 H513 A518 V519 V520L512-E516 HydrophobicContact CD2-CG 4.5Å; L512-E516 WeakPolarHBondContact O-CG 3.49Å; L512-E516 PolarHBondContact O-N 2.86Å; H513-E516 PolarHBondContact O-N 3.09Å; E516-A518 VanDerWaalsContact C-N 3.32Å; E516-A518 PolarHBondContact O-N 2.85Å; E516-V519 PolarHBondContact O-N 3.48Å; E516-V520 WeakPolarHBondContact O-CG2 3.28Å; E516-V520 PolarHBondContact O-N 3.19Å
517S85.4Confident84.1Confident73 Ų73102 Ų10251%0.5153%0.527SS..Hα-helixtrans-58.8-43.8174.5-177.80000111.3H513 V519 V520 K521H513-S517 WeakPolarHBondContact O-CB 3.41Å; H513-S517 PolarHBondContact O-N 3.38Å; S517-V519 PolarHBondContact O-N 3.21Å; S517-V520 PolarHBondContact O-N 3.39Å; S517-K521 VanDerWaalsContact O-CB 3.27Å; S517-K521 WeakPolarHBondContact O-CB 3.31Å; S517-K521 PolarHBondContact O-N 3.41Å
518A85.1Confident84.5Confident53 Ų53100.6 Ų100.644%0.43852%0.522SS..Hα-helixtrans-64.1-38.5176.100000112.7D514 L515 E516 K521 A522D514-A518 VanDerWaalsContact O-CB 3.27Å; D514-A518 WeakPolarHBondContact O-CB 3.45Å; D514-A518 PolarHBondContact O-N 3.5Å; L515-A518 PolarHBondContact O-N 3.47Å; E516-A518 VanDerWaalsContact C-N 3.32Å; E516-A518 PolarHBondContact O-N 2.85Å; A518-K521 PolarHBondContact O-N 2.91Å; A518-A522 VanDerWaalsContact O-CB 3.28Å; A518-A522 WeakPolarHBondContact O-CB 3.3Å; A518-A522 PolarHBondContact O-N 3.29Å
519V85.5Confident84.7Confident93 Ų93102.5 Ų102.556%0.56453%0.53SS*.Hα-helixtrans-69.3-43.1176.7169.50000111.3L515 E516 S517 K521 A522 R523L515-V519 VanDerWaalsContact O-CG2 3.3Å; L515-V519 WeakPolarHBondContact O-CG2 3.47Å; L515-V519 PolarHBondContact O-N 3.49Å; E516-V519 PolarHBondContact O-N 3.48Å; S517-V519 PolarHBondContact O-N 3.21Å; V519-K521 VanDerWaalsContact C-N 3.32Å; V519-K521 PolarHBondContact O-N 2.76Å; V519-A522 PolarHBondContact O-N 3.01Å; V519-R523 WeakPolarHBondContact O-CB 3.45Å; V519-R523 PolarHBondContact O-N 2.99Å
520V87.9Confident85Confident93 Ų93103.8 Ų103.856%0.56453%0.526SS*.Hα-helixtrans-62.5-42175.2172.20000110.5E516 S517 R523 T524E516-V520 WeakPolarHBondContact O-CG2 3.28Å; E516-V520 PolarHBondContact O-N 3.19Å; S517-V520 PolarHBondContact O-N 3.39Å; V520-R523 PolarHBondContact O-N 3.04Å; V520-T524 WeakPolarHBondContact O-CG2 3.21Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 PolarHBondContact O-OG1 3.12Å
521K89.1Confident85.1Confident132 Ų132106.8 Ų106.857%0.57454%0.535SS*.Hα-helixtrans-63-48173.9-169.3-174.1174.3-158.10111.8S517 A518 V519 R523 T524 D525S517-K521 VanDerWaalsContact O-CB 3.27Å; S517-K521 WeakPolarHBondContact O-CB 3.31Å; S517-K521 PolarHBondContact O-N 3.41Å; A518-K521 PolarHBondContact O-N 2.91Å; V519-K521 VanDerWaalsContact C-N 3.32Å; V519-K521 PolarHBondContact O-N 2.76Å; K521-R523 VanDerWaalsContact C-N 3.29Å; K521-R523 PolarHBondContact O-N 2.98Å; K521-T524 WeakPolarHBondContact CA-OG1 3.44Å; K521-T524 PolarHBondContact O-N 2.93Å; K521-T524 PolarHBondContact O-OG1 3.28Å; K521-D525 WeakPolarHBondContact O-CB 3.49Å; K521-D525 VanDerWaalsContact O-CG 3.28Å; K521-D525 PolarHBondContact O-N 3.39Å
522A83.9Confident85.1Confident60 Ų60107.7 Ų107.750%0.49654%0.538SS..Hα-helixtrans-61.3-37.8177.400000112.3A518 V519 Y526A518-A522 VanDerWaalsContact O-CB 3.28Å; A518-A522 WeakPolarHBondContact O-CB 3.3Å; A518-A522 PolarHBondContact O-N 3.29Å; V519-A522 PolarHBondContact O-N 3.01Å; A522-Y526 WeakPolarHBondContact O-CB 3.38Å; A522-Y526 PolarHBondContact O-N 3.3Å
523R86.2Confident85.2Confident184 Ų184109.8 Ų109.869%0.69454%0.54SS*.Hα-helixtrans-67.2-42.1176.2-172.6176.5-177172.11.1112V519 V520 K521 Q527V519-R523 WeakPolarHBondContact O-CB 3.45Å; V519-R523 PolarHBondContact O-N 2.99Å; V520-R523 PolarHBondContact O-N 3.04Å; K521-R523 VanDerWaalsContact C-N 3.29Å; K521-R523 PolarHBondContact O-N 2.98Å; R523-Q527 WeakPolarHBondContact O-CG 3.45Å; R523-Q527 PolarHBondContact O-N 3.23Å; R523-Q527 VanDerWaalsContact O-N 3.1Å
524T86.1Confident85.2Confident72 Ų72108.4 Ų108.444%0.44254%0.536SS..Hα-helixtrans-67.8-43.2176.345.40000111.2V520 K521 Y526 Q527 I528V520-T524 WeakPolarHBondContact O-CG2 3.21Å; V520-T524 PolarHBondContact O-N 3.43Å; V520-T524 PolarHBondContact O-OG1 3.12Å; K521-T524 WeakPolarHBondContact CA-OG1 3.44Å; K521-T524 PolarHBondContact O-N 2.93Å; K521-T524 PolarHBondContact O-OG1 3.28Å; T524-Y526 PolarHBondContact O-N 3.43Å; T524-Q527 PolarHBondContact O-N 3.28Å; T524-I528 VanDerWaalsContact O-CG1 3.3Å; T524-I528 WeakPolarHBondContact O-CG1 3.48Å; T524-I528 PolarHBondContact O-N 3.44Å
525D85.9Confident85.1Confident78 Ų78107.1 Ų107.142%0.41753%0.532SS..Hα-helixtrans-59.4-43.3174.3-74-20.4000111.8K521 Q527 I528 M529K521-D525 WeakPolarHBondContact O-CB 3.49Å; K521-D525 VanDerWaalsContact O-CG 3.28Å; K521-D525 PolarHBondContact O-N 3.39Å; D525-Q527 PolarHBondContact O-N 3.06Å; D525-I528 PolarHBondContact O-N 3.02Å; D525-M529 WeakPolarHBondContact O-CB 3.25Å; D525-M529 PolarHBondContact O-N 2.96Å
526Y85.4Confident85Confident143 Ų143108 Ų10856%0.56153%0.533SS*.Hα-helixtrans-61.5-43.4174.6176.4-100.8000112.5A522 T524 M529 R530A522-Y526 WeakPolarHBondContact O-CB 3.38Å; A522-Y526 PolarHBondContact O-N 3.3Å; T524-Y526 PolarHBondContact O-N 3.43Å; Y526-M529 PolarHBondContact O-N 3.15Å; Y526-R530 WeakPolarHBondContact O-CB 3.34Å; Y526-R530 PolarHBondContact O-N 2.93Å
527Q87.4Confident84.8Confident79 Ų79109.9 Ų109.937%0.36954%0.535SS..Hα-helixtrans-65.7-38.6177.2-70-66.8-1400112R523 T524 D525 R530 K531R523-Q527 WeakPolarHBondContact O-CG 3.45Å; R523-Q527 PolarHBondContact O-N 3.23Å; R523-Q527 VanDerWaalsContact O-N 3.1Å; T524-Q527 PolarHBondContact O-N 3.28Å; D525-Q527 PolarHBondContact O-N 3.06Å; Q527-R530 PolarHBondContact O-N 2.77Å; Q527-K531 WeakPolarHBondContact O-CG 3.36Å; Q527-K531 PolarHBondContact O-N 2.88Å
528I85.1Confident84.6Confident87 Ų87113 Ų11345%0.44654%0.54SS..Hα-helixtrans-63.9-46174.4-67.7165.9000110.2T524 D525 K531 K532T524-I528 VanDerWaalsContact O-CG1 3.3Å; T524-I528 WeakPolarHBondContact O-CG1 3.48Å; T524-I528 PolarHBondContact O-N 3.44Å; D525-I528 PolarHBondContact O-N 3.02Å; I528-K531 PolarHBondContact O-N 3.17Å; I528-K532 HydrophobicContact CG2-CD 4.27Å; I528-K532 WeakPolarHBondContact O-CB 3.46Å; I528-K532 WeakPolarHBondContact O-CG 3.5Å; I528-K532 PolarHBondContact O-N 2.9Å
529M83.2Confident84.5Confident136 Ų136115.2 Ų115.267%0.6754%0.544SS*.Hα-helixtrans-61.1-45.7176-100.3-130-75.700112.3D525 Y526 K531 K532 Y533D525-M529 WeakPolarHBondContact O-CB 3.25Å; D525-M529 PolarHBondContact O-N 2.96Å; Y526-M529 PolarHBondContact O-N 3.15Å; M529-K531 PolarHBondContact O-N 3.42Å; M529-K532 PolarHBondContact O-N 3Å; M529-Y533 WeakPolarHBondContact O-CB 3.26Å; M529-Y533 PolarHBondContact O-N 3.04Å
530R84.7Confident84.3Confident136 Ų136113.9 Ų113.951%0.51354%0.539SS..Hα-helixtrans-60.7-45.1177.9-175178.4176.3-126.91.4111.6Y526 Q527 Y533 I534Y526-R530 WeakPolarHBondContact O-CB 3.34Å; Y526-R530 PolarHBondContact O-N 2.93Å; Q527-R530 PolarHBondContact O-N 2.77Å; R530-Y533 PolarHBondContact O-N 3.2Å; R530-I534 HydrophobicContact CG-CD1 4.07Å; R530-I534 VanDerWaalsContact O-CG1 3.31Å; R530-I534 WeakPolarHBondContact O-CG1 3.31Å; R530-I534 PolarHBondContact O-N 2.99Å
531K84Confident83.9Confident151 Ų151114.4 Ų114.466%0.65754%0.538SS*.Hα-helixtrans-60.6-46.6174.4-77.7-175.9178.6-178.40111.4Q527 I528 M529 Y533 I534 V535Q527-K531 WeakPolarHBondContact O-CG 3.36Å; Q527-K531 PolarHBondContact O-N 2.88Å; I528-K531 PolarHBondContact O-N 3.17Å; M529-K531 PolarHBondContact O-N 3.42Å; K531-Y533 PolarHBondContact O-N 3.4Å; K531-I534 PolarHBondContact O-N 3.48Å; K531-V535 VanDerWaalsContact O-CG2 3.31Å; K531-V535 WeakPolarHBondContact O-CG2 3.34Å; K531-V535 PolarHBondContact O-N 3.06Å
532K84Confident83.6Confident139 Ų139113.7 Ų113.760%0.60454%0.535SS*.Hα-helixtrans-59.8-43.6176.8-77.7-178.6179.2179.10112.4I528 M529 V535 Q536I528-K532 HydrophobicContact CG2-CD 4.27Å; I528-K532 WeakPolarHBondContact O-CB 3.46Å; I528-K532 WeakPolarHBondContact O-CG 3.5Å; I528-K532 PolarHBondContact O-N 2.9Å; M529-K532 PolarHBondContact O-N 3Å; K532-V535 PolarHBondContact O-N 3.26Å; K532-Q536 WeakPolarHBondContact O-CB 3.48Å; K532-Q536 PolarHBondContact O-N 3.5Å
533Y83.1Confident83.4Confident134 Ų134112.6 Ų112.653%0.52553%0.53SS..Hα-helixtrans-64.8-43.7179-179.7-96.9000112.3M529 R530 K531 Q536 R537M529-Y533 WeakPolarHBondContact O-CB 3.26Å; M529-Y533 PolarHBondContact O-N 3.04Å; R530-Y533 PolarHBondContact O-N 3.2Å; K531-Y533 PolarHBondContact O-N 3.4Å; Y533-Q536 PolarHBondContact O-N 3.46Å; Y533-R537 WeakPolarHBondContact O-CB 3.21Å; Y533-R537 PolarHBondContact O-N 2.97Å; Y533-R537 PolarHBondContact OH-NH1 2.93Å
534I82.6Confident83.2Confident93 Ų93110.8 Ų110.848%0.47753%0.527SS..Hα-helixtrans-61.2-46.5176.6-68.4167.5000110.4R530 K531 R537 F538R530-I534 HydrophobicContact CG-CD1 4.07Å; R530-I534 VanDerWaalsContact O-CG1 3.31Å; R530-I534 WeakPolarHBondContact O-CG1 3.31Å; R530-I534 PolarHBondContact O-N 2.99Å; K531-I534 PolarHBondContact O-N 3.48Å; I534-R537 PolarHBondContact O-N 3.36Å; I534-F538 WeakPolarHBondContact O-CB 3.39Å; I534-F538 PolarHBondContact O-N 3.41Å
535V83Confident82.9Confident82 Ų82112 Ų11250%0.49753%0.534SS..Hα-helixtrans-61.8-45.4177.8172.10000111.2K531 K532 R537 F538 N539K531-V535 VanDerWaalsContact O-CG2 3.31Å; K531-V535 WeakPolarHBondContact O-CG2 3.34Å; K531-V535 PolarHBondContact O-N 3.06Å; K532-V535 PolarHBondContact O-N 3.26Å; V535-R537 PolarHBondContact O-N 3.38Å; V535-F538 PolarHBondContact O-N 3.45Å; V535-N539 WeakPolarHBondContact O-CB 3.47Å; V535-N539 PolarHBondContact O-N 3.05Å; V535-N539 PolarHBondContact O-ND2 2.77Å
536Q80.1Confident82.7Confident139 Ų139112.4 Ų112.465%0.6554%0.536SS*.Hα-helixtrans-62.1-43.6176.4-84.7-175.7-13.900112.6K532 Y533 N539 S540K532-Q536 WeakPolarHBondContact O-CB 3.48Å; K532-Q536 PolarHBondContact O-N 3.5Å; Y533-Q536 PolarHBondContact O-N 3.46Å; Q536-N539 PolarHBondContact O-N 3.29Å; Q536-S540 WeakPolarHBondContact O-CB 3.28Å; Q536-S540 PolarHBondContact O-N 2.87Å
537R82.5Confident82.5Confident150 Ų150108.7 Ų108.757%0.56653%0.534SS*.Hα-helixtrans-65.9-40179.4-170.8167.8178.1136.8-2111.6Y533 I534 V535 S540 L541Y533-R537 WeakPolarHBondContact O-CB 3.21Å; Y533-R537 PolarHBondContact O-N 2.97Å; Y533-R537 PolarHBondContact OH-NH1 2.93Å; I534-R537 PolarHBondContact O-N 3.36Å; V535-R537 PolarHBondContact O-N 3.38Å; R537-S540 PolarHBondContact O-N 3.2Å; R537-L541 HydrophobicContact CG-CD1 4.35Å; R537-L541 PolarHBondContact O-N 3.13Å
538F81.3Confident82.4Confident139 Ų139113.3 Ų113.361%0.6155%0.553SS**Hα-helixtrans-65-47.3174.6-168.1-92.5000111.6I534 V535 S540 L541 F542I534-F538 WeakPolarHBondContact O-CB 3.39Å; I534-F538 PolarHBondContact O-N 3.41Å; V535-F538 PolarHBondContact O-N 3.45Å; F538-S540 VanDerWaalsContact C-N 3.31Å; F538-S540 PolarHBondContact O-N 2.91Å; F538-L541 PolarHBondContact O-N 2.88Å; F538-F542 VanDerWaalsContact O-CB 3.27Å; F538-F542 WeakPolarHBondContact O-CB 3.28Å; F538-F542 PolarHBondContact O-N 2.94Å
539N83.1Confident82.3Confident99 Ų99114.7 Ų114.753%0.52956%0.558SS.*Hα-helixtrans-61.3-37.9177.3-71.8-12.5000112.3V535 Q536 G543V535-N539 WeakPolarHBondContact O-CB 3.47Å; V535-N539 PolarHBondContact O-N 3.05Å; V535-N539 PolarHBondContact O-ND2 2.77Å; Q536-N539 PolarHBondContact O-N 3.29Å; N539-G543 PolarHBondContact O-N 3.02Å
540S82.5Confident82.4Confident65 Ų65116.9 Ų116.946%0.45556%0.558SS.*Hα-helixtrans-65.7-45.9175.7-172.60000112.4Q536 R537 F538 K544Q536-S540 WeakPolarHBondContact O-CB 3.28Å; Q536-S540 PolarHBondContact O-N 2.87Å; R537-S540 PolarHBondContact O-N 3.2Å; F538-S540 VanDerWaalsContact C-N 3.31Å; F538-S540 PolarHBondContact O-N 2.91Å; S540-K544 WeakPolarHBondContact O-CG 3.34Å; S540-K544 PolarHBondContact O-N 3.39Å
541L79.1Confident82.3Confident104 Ų104111.8 Ų111.855%0.54555%0.549SS..Hα-helixtrans-64.3-46.7176.5-84160.6000111.5R537 F538 G543 K544 V545R537-L541 HydrophobicContact CG-CD1 4.35Å; R537-L541 PolarHBondContact O-N 3.13Å; F538-L541 PolarHBondContact O-N 2.88Å; L541-G543 PolarHBondContact O-N 3.04Å; L541-K544 PolarHBondContact O-N 3.19Å; L541-V545 WeakPolarHBondContact O-CG2 3.34Å; L541-V545 PolarHBondContact O-N 3.08Å
542F81.6Confident82.5Confident117 Ų117107.8 Ų107.851%0.51354%0.539SS..Hα-helixtrans-62.1-44178.8-168.2-106.1000111.6F538 K544 V545 L546F538-F542 VanDerWaalsContact O-CB 3.27Å; F538-F542 WeakPolarHBondContact O-CB 3.28Å; F538-F542 PolarHBondContact O-N 2.94Å; F542-K544 PolarHBondContact O-N 3Å; F542-V545 PolarHBondContact O-N 3.42Å; F542-L546 HydrophobicContact CD1-CD1 3.66Å; F542-L546 HydrophobicContact CD1-CG 4.28Å; F542-L546 HydrophobicContact CE1-CD1 3.26Å; F542-L546 HydrophobicContact CE1-CG 4.04Å; F542-L546 HydrophobicContact CZ-CD1 3.83Å; F542-L546 HydrophobicContact CZ-CG 4.25Å; F542-L546 WeakPolarHBondContact O-CB 3.33Å; F542-L546 WeakPolarHBondContact O-CG 3.38Å; F542-L546 PolarHBondContact O-N 3.44Å
543G80.3Confident82.4Confident38 Ų38106.4 Ų106.439%0.39254%0.537SS..Hα-helixtrans-59.9-42.5174.500000113.2N539 L541 A547N539-G543 PolarHBondContact O-N 3.02Å; L541-G543 PolarHBondContact O-N 3.04Å; G543-A547 VanDerWaalsContact O-CB 3.28Å; G543-A547 WeakPolarHBondContact O-CB 3.31Å; G543-A547 PolarHBondContact O-N 2.91Å
544K81.6Confident82.3Confident146 Ų146104 Ų10464%0.63553%0.532SS*.Hα-helixtrans-64.5-42.7176.4-75.6178.1-178-177.60112.6S540 L541 F542 K548S540-K544 WeakPolarHBondContact O-CG 3.34Å; S540-K544 PolarHBondContact O-N 3.39Å; L541-K544 PolarHBondContact O-N 3.19Å; F542-K544 PolarHBondContact O-N 3Å; K544-K548 WeakPolarHBondContact O-CB 3.46Å; K544-K548 PolarHBondContact O-N 2.99Å
545V80.7Confident82.4Confident97 Ų97104.6 Ų104.659%0.58854%0.536SS*.Hα-helixtrans-66.2-45.8178.5173.50000110.8L541 F542 A547 K548 H549L541-V545 WeakPolarHBondContact O-CG2 3.34Å; L541-V545 PolarHBondContact O-N 3.08Å; F542-V545 PolarHBondContact O-N 3.42Å; V545-A547 PolarHBondContact O-N 3.23Å; V545-K548 PolarHBondContact O-N 2.84Å; V545-H549 WeakPolarHBondContact O-CB 3.47Å; V545-H549 PolarHBondContact O-N 3.38Å
546L81.7Confident82.4Confident87 Ų87104.6 Ų104.646%0.45554%0.536SS..Hα-helixtrans-63.5-40.8176.7-76.1-178000112.4F542 H549 R550F542-L546 HydrophobicContact CD1-CD1 3.66Å; F542-L546 HydrophobicContact CD1-CG 4.28Å; F542-L546 HydrophobicContact CE1-CD1 3.26Å; F542-L546 HydrophobicContact CE1-CG 4.04Å; F542-L546 HydrophobicContact CZ-CD1 3.83Å; F542-L546 HydrophobicContact CZ-CG 4.25Å; F542-L546 WeakPolarHBondContact O-CB 3.33Å; F542-L546 WeakPolarHBondContact O-CG 3.38Å; F542-L546 PolarHBondContact O-N 3.44Å; L546-H549 PolarHBondContact O-N 3.33Å; L546-R550 WeakPolarHBondContact O-CB 3.46Å; L546-R550 PolarHBondContact O-N 3.1Å
547A81.8Confident82.5Confident64 Ų64104.9 Ų104.953%0.52954%0.536SS..Hα-helixtrans-62.8-42.7176.500000111.8G543 V545 G551G543-A547 VanDerWaalsContact O-CB 3.28Å; G543-A547 WeakPolarHBondContact O-CB 3.31Å; G543-A547 PolarHBondContact O-N 2.91Å; V545-A547 PolarHBondContact O-N 3.23Å; A547-G551 PolarHBondContact O-N 3.17Å
548K84.4Confident82.6Confident176 Ų176102.6 Ų102.677%0.76553%0.532SS*.Hα-helixtrans-65.4-43.4176.4-169.3177.4-179.5-178.90112K544 V545 G551 S552K544-K548 WeakPolarHBondContact O-CB 3.46Å; K544-K548 PolarHBondContact O-N 2.99Å; V545-K548 PolarHBondContact O-N 2.84Å; K548-G551 PolarHBondContact O-N 3.37Å; K548-S552 PolarHBondContact O-N 3.29Å
549H83.6Confident82.9Confident116 Ų116103.6 Ų103.654%0.53753%0.532SS..Hα-helixtrans-66.4-43.5177.2-175.760000111.9V545 L546 G551 S552 M553V545-H549 WeakPolarHBondContact O-CB 3.47Å; V545-H549 PolarHBondContact O-N 3.38Å; L546-H549 PolarHBondContact O-N 3.33Å; H549-G551 PolarHBondContact O-N 2.85Å; H549-S552 PolarHBondContact O-N 2.93Å; H549-M553 WeakPolarHBondContact O-CG 3.45Å; H549-M553 PolarHBondContact O-N 3.32Å
550R84.1Confident82.9Confident182 Ų182101.6 Ų101.669%0.68753%0.526SS*.Hα-helixtrans-60.7-45.3175.3-173.9177.5-179.3-179.90.3111.2L546 M553 I554L546-R550 WeakPolarHBondContact O-CB 3.46Å; L546-R550 PolarHBondContact O-N 3.1Å; R550-M553 PolarHBondContact O-N 2.99Å; R550-I554 HydrophobicContact CG-CD1 3.83Å; R550-I554 WeakPolarHBondContact O-CB 3.43Å; R550-I554 VanDerWaalsContact O-CG1 3.23Å; R550-I554 WeakPolarHBondContact O-CG1 3.48Å; R550-I554 PolarHBondContact O-N 3.49Å
551G84.2Confident82.9Confident30 Ų30100.8 Ų100.831%0.30952%0.52SS..Hα-helixtrans-61.1-44175.400000112.8A547 K548 H549 I554 N555A547-G551 PolarHBondContact O-N 3.17Å; K548-G551 PolarHBondContact O-N 3.37Å; H549-G551 PolarHBondContact O-N 2.85Å; G551-I554 PolarHBondContact O-N 3Å; G551-N555 WeakPolarHBondContact O-CB 3.5Å; G551-N555 VanDerWaalsContact O-CG 3.3Å; G551-N555 PolarHBondContact O-N 3.38Å
552S86.5Confident83.2Confident66 Ų66100.6 Ų100.646%0.46252%0.516SS..Hα-helixtrans-61.2-47.1175.2-172.10000112.1K548 H549 I554 N555 T556K548-S552 PolarHBondContact O-N 3.29Å; H549-S552 PolarHBondContact O-N 2.93Å; S552-I554 PolarHBondContact O-N 3.39Å; S552-N555 PolarHBondContact O-N 2.93Å; S552-T556 PolarHBondContact O-N 3.29Å; S552-T556 PolarHBondContact O-OG1 3.08Å
553M82.2Confident83.4Confident111 Ų11197.6 Ų97.655%0.54751%0.507SS..Hα-helixtrans-63.8-40.7-179.9-76.1-64.6-61.400112.3H549 R550 T556 F557H549-M553 WeakPolarHBondContact O-CG 3.45Å; H549-M553 PolarHBondContact O-N 3.32Å; R550-M553 PolarHBondContact O-N 2.99Å; M553-T556 PolarHBondContact O-N 3.28Å; M553-F557 VanDerWaalsContact O-CB 3.31Å; M553-F557 WeakPolarHBondContact O-CB 3.49Å; M553-F557 PolarHBondContact O-N 3.48Å
554I82.4Confident83.6Confident84 Ų84100.8 Ų100.843%0.43152%0.515SS..Hα-helixtrans-62.9-46.8175.7-70.3168.2000110.2R550 G551 S552 T556 F557 Q558R550-I554 HydrophobicContact CG-CD1 3.83Å; R550-I554 WeakPolarHBondContact O-CB 3.43Å; R550-I554 VanDerWaalsContact O-CG1 3.23Å; R550-I554 WeakPolarHBondContact O-CG1 3.48Å; R550-I554 PolarHBondContact O-N 3.49Å; G551-I554 PolarHBondContact O-N 3Å; S552-I554 PolarHBondContact O-N 3.39Å; I554-T556 PolarHBondContact O-N 3.44Å; I554-F557 PolarHBondContact O-N 2.99Å; I554-Q558 VanDerWaalsContact O-CB 3.27Å; I554-Q558 WeakPolarHBondContact O-CB 3.39Å; I554-Q558 PolarHBondContact O-N 3.39Å
555N84.4Confident83.8Confident105 Ų10597.4 Ų97.456%0.56151%0.507SS*.Hα-helixtrans-62.6-42179.1-72.5-6.9000112.1G551 S552 Q558 Y559G551-N555 WeakPolarHBondContact O-CB 3.5Å; G551-N555 VanDerWaalsContact O-CG 3.3Å; G551-N555 PolarHBondContact O-N 3.38Å; S552-N555 PolarHBondContact O-N 2.93Å; N555-Q558 PolarHBondContact O-N 2.99Å; N555-Y559 WeakPolarHBondContact O-CB 3.47Å; N555-Y559 PolarHBondContact O-N 2.94Å
556T83.2Confident84.1Confident81 Ų8199.9 Ų99.950%0.49751%0.51SS..Hα-helixtrans-64.9-42.9176.1-53.80000111.5S552 M553 I554 Y559 S560S552-T556 PolarHBondContact O-N 3.29Å; S552-T556 PolarHBondContact O-OG1 3.08Å; M553-T556 PolarHBondContact O-N 3.28Å; I554-T556 PolarHBondContact O-N 3.44Å; T556-Y559 PolarHBondContact O-N 3.35Å; T556-S560 PolarHBondContact O-N 3.18Å; T556-S560 PolarHBondContact O-OG 3.48Å
557F82.2Confident84.3Confident145 Ų145101.4 Ų101.464%0.63651%0.514SS*.Hα-helixtrans-65.6-41.4177.5-164.9-93000112M553 I554 S560 C561M553-F557 VanDerWaalsContact O-CB 3.31Å; M553-F557 WeakPolarHBondContact O-CB 3.49Å; M553-F557 PolarHBondContact O-N 3.48Å; I554-F557 PolarHBondContact O-N 2.99Å; F557-S560 PolarHBondContact O-N 2.95Å; F557-C561 WeakPolarHBondContact CE1-SG 3.45Å; F557-C561 WeakPolarHBondContact O-CB 3.47Å; F557-C561 PolarHBondContact O-N 3.49Å; F557-C561 PolarHBondContact O-SG 3.41Å
558Q84.7Confident84.5Confident103 Ų103103.7 Ų103.748%0.48152%0.517SS..Hα-helixtrans-64.1-42.9177.8-169.5169.8-3.400111.4I554 N555 C561 E562I554-Q558 VanDerWaalsContact O-CB 3.27Å; I554-Q558 WeakPolarHBondContact O-CB 3.39Å; I554-Q558 PolarHBondContact O-N 3.39Å; N555-Q558 PolarHBondContact O-N 2.99Å; Q558-C561 PolarHBondContact O-N 3.5Å; Q558-E562 PolarHBondContact O-N 3.47Å
559Y86.6Confident84.6Confident159 Ų15999.8 Ų99.862%0.62450%0.504SS*.Hα-helixtrans-60.3-46172.5-178.3-98000112N555 T556 C561 E562 V563N555-Y559 WeakPolarHBondContact O-CB 3.47Å; N555-Y559 PolarHBondContact O-N 2.94Å; T556-Y559 PolarHBondContact O-N 3.35Å; Y559-C561 PolarHBondContact O-N 2.91Å; Y559-E562 PolarHBondContact O-N 3.04Å; Y559-V563 HydrophobicContact CD1-CG2 4.34Å; Y559-V563 HydrophobicContact CE1-CG2 3.97Å; Y559-V563 WeakPolarHBondContact O-CG2 3.4Å; Y559-V563 PolarHBondContact O-N 3.32Å
560S83.3Confident84.8Confident57 Ų5799.2 Ų99.240%0.39951%0.506SS..Hα-helixtrans-62.6-39175.9-64.10000112.8T556 F557 V563 L564T556-S560 PolarHBondContact O-N 3.18Å; T556-S560 PolarHBondContact O-OG 3.48Å; F557-S560 PolarHBondContact O-N 2.95Å; S560-V563 PolarHBondContact O-N 3.22Å; S560-L564 WeakPolarHBondContact O-CB 3.08Å; S560-L564 WeakPolarHBondContact O-CG 3.47Å; S560-L564 PolarHBondContact O-N 3.22Å
561C83.1Confident84.9Confident48 Ų4895.5 Ų95.532%0.32450%0.499SS..Hα-helixtrans-65.4-40.3174.7-77.40000112.4F557 Q558 Y559 L564 T565F557-C561 WeakPolarHBondContact CE1-SG 3.45Å; F557-C561 WeakPolarHBondContact O-CB 3.47Å; F557-C561 PolarHBondContact O-N 3.49Å; F557-C561 PolarHBondContact O-SG 3.41Å; Q558-C561 PolarHBondContact O-N 3.5Å; Y559-C561 PolarHBondContact O-N 2.91Å; C561-L564 PolarHBondContact O-N 3.26Å; C561-T565 WeakPolarHBondContact O-CB 3.08Å; C561-T565 PolarHBondContact O-N 2.98Å; C561-T565 PolarHBondContact O-OG1 3.33Å
562E84.9Confident85Confident100 Ų100101.2 Ų101.247%0.46752%0.515SS..Hα-helixtrans-63.4-41.6175.1-79.8178.2-170.200111.9Q558 Y559 T565 K566Q558-E562 PolarHBondContact O-N 3.47Å; Y559-E562 PolarHBondContact O-N 3.04Å; E562-T565 PolarHBondContact O-N 2.8Å; E562-K566 WeakPolarHBondContact O-CG 3.18Å; E562-K566 PolarHBondContact O-N 3.33Å
563V86Confident85.1Confident54 Ų54101.1 Ų101.133%0.32752%0.515SS..Hα-helixtrans-62.6-49.2175173.60000110.9Y559 S560 T565 K566 E567Y559-V563 HydrophobicContact CD1-CG2 4.34Å; Y559-V563 HydrophobicContact CE1-CG2 3.97Å; Y559-V563 WeakPolarHBondContact O-CG2 3.4Å; Y559-V563 PolarHBondContact O-N 3.32Å; S560-V563 PolarHBondContact O-N 3.22Å; V563-T565 VanDerWaalsContact C-N 3.3Å; V563-T565 PolarHBondContact O-N 2.82Å; V563-K566 PolarHBondContact O-N 3.49Å; V563-E567 PolarHBondContact O-N 2.96Å
564L83.4Confident85.3Confident106 Ų10699.8 Ų99.856%0.55551%0.512SS*.Hα-helixtrans-62.2-36.1178-75.5170.1000112.6S560 C561 E567 L568S560-L564 WeakPolarHBondContact O-CB 3.08Å; S560-L564 WeakPolarHBondContact O-CG 3.47Å; S560-L564 PolarHBondContact O-N 3.22Å; C561-L564 PolarHBondContact O-N 3.26Å; L564-E567 PolarHBondContact O-N 3.47Å; L564-L568 VanDerWaalsContact O-CB 3.3Å; L564-L568 WeakPolarHBondContact O-CB 3.22Å; L564-L568 PolarHBondContact O-N 3.13Å
565T85.9Confident85.6Confident75 Ų7599.6 Ų99.646%0.4651%0.51SS..Hα-helixtrans-66.1-43.8176.7-54.60000110.6C561 E562 V563 E567 L568 D569C561-T565 WeakPolarHBondContact O-CB 3.08Å; C561-T565 PolarHBondContact O-N 2.98Å; C561-T565 PolarHBondContact O-OG1 3.33Å; E562-T565 PolarHBondContact O-N 2.8Å; V563-T565 VanDerWaalsContact C-N 3.3Å; V563-T565 PolarHBondContact O-N 2.82Å; T565-E567 PolarHBondContact O-N 2.91Å; T565-L568 PolarHBondContact O-N 3.35Å; T565-D569 PolarHBondContact O-N 3.45Å
566K87Confident85.8Confident149 Ų149101.1 Ų101.165%0.64851%0.514SS*.Hα-helixtrans-62.3-42174.4-73.9175.7-179.3174.20112.4E562 V563 D569 N570E562-K566 WeakPolarHBondContact O-CG 3.18Å; E562-K566 PolarHBondContact O-N 3.33Å; V563-K566 PolarHBondContact O-N 3.49Å; K566-D569 PolarHBondContact O-N 2.88Å; K566-N570 WeakPolarHBondContact O-CB 3.16Å; K566-N570 PolarHBondContact O-N 3.41Å
567E86.3Confident86Confident119 Ų119100.5 Ų100.556%0.55651%0.51SS*.Hα-helixtrans-64.3-40.9175.6-74.9-175.7168.800112.1V563 L564 T565 N570 L571V563-E567 PolarHBondContact O-N 2.96Å; L564-E567 PolarHBondContact O-N 3.47Å; T565-E567 PolarHBondContact O-N 2.91Å; E567-N570 PolarHBondContact O-N 3.48Å; E567-L571 WeakPolarHBondContact O-CB 3.35Å; E567-L571 PolarHBondContact O-N 3.35Å
568L85.4Confident86.2Confident112 Ų112102.2 Ų102.259%0.58651%0.512SS*.Hα-helixtrans-64.5-43.8176.9-176.664.7000111.8L564 T565 N570 L571 K572L564-L568 VanDerWaalsContact O-CB 3.3Å; L564-L568 WeakPolarHBondContact O-CB 3.22Å; L564-L568 PolarHBondContact O-N 3.13Å; T565-L568 PolarHBondContact O-N 3.35Å; L568-N570 VanDerWaalsContact C-N 3.33Å; L568-L571 PolarHBondContact O-N 3.07Å; L568-K572 VanDerWaalsContact O-CB 3.3Å; L568-K572 WeakPolarHBondContact O-CB 3.29Å; L568-K572 PolarHBondContact O-N 3.4Å
569D86.7Confident86.2Confident93 Ų93103.2 Ų103.250%0.49752%0.515SS..Hα-helixtrans-64.4-38.8176.1-75.6-27.8000111.5T565 K566 K572 S573T565-D569 PolarHBondContact O-N 3.45Å; K566-D569 PolarHBondContact O-N 2.88Å; D569-K572 PolarHBondContact O-N 3.31Å; D569-S573 WeakPolarHBondContact O-CB 3.39Å; D569-S573 PolarHBondContact O-N 3.13Å
570N87.3Confident86.4Confident105 Ų105101.8 Ų101.856%0.56151%0.512SS*.Hα-helixtrans-65.9-44.6175.2-160.520.9000111.5K566 E567 L568 K572 S573 V574K566-N570 WeakPolarHBondContact O-CB 3.16Å; K566-N570 PolarHBondContact O-N 3.41Å; E567-N570 PolarHBondContact O-N 3.48Å; L568-N570 VanDerWaalsContact C-N 3.33Å; N570-K572 VanDerWaalsContact C-N 3.34Å; N570-K572 PolarHBondContact O-N 3.4Å; N570-S573 WeakPolarHBondContact O-CB 3.44Å; N570-S573 PolarHBondContact O-N 2.85Å; N570-V574 WeakPolarHBondContact O-CG2 3.45Å; N570-V574 PolarHBondContact O-N 3.47Å
571L86.4Confident86.5Confident104 Ų104105.4 Ų105.455%0.54552%0.521SS..Hα-helixtrans-62.3-41.4175.5-175.664.7000111.5E567 L568 S573 V574 M575E567-L571 WeakPolarHBondContact O-CB 3.35Å; E567-L571 PolarHBondContact O-N 3.35Å; L568-L571 PolarHBondContact O-N 3.07Å; L571-S573 PolarHBondContact O-N 3.42Å; L571-V574 PolarHBondContact O-N 2.95Å; L571-M575 HydrophobicContact CD1-CG 4.43Å; L571-M575 HydrophobicContact CG-CG 4.48Å; L571-M575 WeakPolarHBondContact O-CB 3.42Å; L571-M575 VanDerWaalsContact O-CG 3.28Å; L571-M575 WeakPolarHBondContact O-CG 3.4Å; L571-M575 PolarHBondContact O-N 3.2Å
572K87Confident86.7Confident149 Ų149107.6 Ų107.665%0.64853%0.529SS*.Hα-helixtrans-61.9-42.3176-171.9178.7179.1-176.40111.6L568 D569 N570 M575 H576L568-K572 VanDerWaalsContact O-CB 3.3Å; L568-K572 WeakPolarHBondContact O-CB 3.29Å; L568-K572 PolarHBondContact O-N 3.4Å; D569-K572 PolarHBondContact O-N 3.31Å; N570-K572 VanDerWaalsContact C-N 3.34Å; N570-K572 PolarHBondContact O-N 3.4Å; K572-M575 PolarHBondContact O-N 2.87Å; K572-H576 VanDerWaalsContact O-CB 3.29Å; K572-H576 WeakPolarHBondContact O-CB 3.49Å; K572-H576 PolarHBondContact O-N 3.5Å
573S88.3Confident86.7Confident65 Ų65106 Ų10646%0.45553%0.528SS..Hα-helixtrans-60.6-48173.6166.20000112.4D569 N570 L571 M575 H576 T577D569-S573 WeakPolarHBondContact O-CB 3.39Å; D569-S573 PolarHBondContact O-N 3.13Å; N570-S573 WeakPolarHBondContact O-CB 3.44Å; N570-S573 PolarHBondContact O-N 2.85Å; L571-S573 PolarHBondContact O-N 3.42Å; S573-M575 PolarHBondContact O-N 2.98Å; S573-H576 PolarHBondContact O-N 3.4Å; S573-T577 WeakPolarHBondContact O-CB 3.48Å; S573-T577 PolarHBondContact O-N 2.91Å; S573-T577 PolarHBondContact O-OG1 2.93Å
574V87.7Confident86.7Confident82 Ų82108.6 Ų108.650%0.49754%0.537SS..Hα-helixtrans-61.7-45.6177.8171.70000111N570 L571 T577 R578N570-V574 WeakPolarHBondContact O-CG2 3.45Å; N570-V574 PolarHBondContact O-N 3.47Å; L571-V574 PolarHBondContact O-N 2.95Å; V574-T577 PolarHBondContact O-N 3.26Å; V574-R578 WeakPolarHBondContact O-CB 3.41Å; V574-R578 PolarHBondContact O-N 3.15Å
575M88.7Confident86.9Confident80 Ų80111.1 Ų111.139%0.39454%0.543SS..Hα-helixtrans-64.7-44.1178.1-71.8-60.7-68.300111.7L571 K572 S573 T577 R578 F579L571-M575 HydrophobicContact CD1-CG 4.43Å; L571-M575 HydrophobicContact CG-CG 4.48Å; L571-M575 WeakPolarHBondContact O-CB 3.42Å; L571-M575 VanDerWaalsContact O-CG 3.28Å; L571-M575 WeakPolarHBondContact O-CG 3.4Å; L571-M575 PolarHBondContact O-N 3.2Å; K572-M575 PolarHBondContact O-N 2.87Å; S573-M575 PolarHBondContact O-N 2.98Å; M575-T577 VanDerWaalsContact C-N 3.32Å; M575-T577 PolarHBondContact O-N 2.97Å; M575-R578 PolarHBondContact O-N 3.39Å; M575-F579 HydrophobicContact CE-CD2 4.49Å; M575-F579 HydrophobicContact CE-CE2 3.8Å; M575-F579 VanDerWaalsContact O-CD2 3.22Å; M575-F579 WeakPolarHBondContact O-CD2 3.36Å; M575-F579 PolarHBondContact O-N 3.12Å
576H87.2Confident86.9Confident137 Ų137111.9 Ų111.963%0.63454%0.544SS*.Hα-helixtrans-60-42.7176.5-17169000111.8K572 S573 F579 K580K572-H576 VanDerWaalsContact O-CB 3.29Å; K572-H576 WeakPolarHBondContact O-CB 3.49Å; K572-H576 PolarHBondContact O-N 3.5Å; S573-H576 PolarHBondContact O-N 3.4Å; H576-F579 PolarHBondContact O-N 3.49Å; H576-K580 WeakPolarHBondContact O-CB 3.45Å; H576-K580 PolarHBondContact O-N 3.3Å
577T87.3Confident86.9Confident68 Ų68110.1 Ų110.142%0.41754%0.54SS..Hα-helixtrans-63.4-42.2175.9-55.70000111.9S573 V574 M575 K580 K581S573-T577 WeakPolarHBondContact O-CB 3.48Å; S573-T577 PolarHBondContact O-N 2.91Å; S573-T577 PolarHBondContact O-OG1 2.93Å; V574-T577 PolarHBondContact O-N 3.26Å; M575-T577 VanDerWaalsContact C-N 3.32Å; M575-T577 PolarHBondContact O-N 2.97Å; T577-K580 PolarHBondContact O-N 3.33Å; T577-K581 PolarHBondContact O-N 3.17Å; T577-K581 VanDerWaalsContact O-N 3.08Å
578R86.5Confident87Confident181 Ų181107.3 Ų107.368%0.68353%0.534SS*.Hα-helixtrans-65.3-42.8177.1-169.5175.5-178.1172.80.7111.7V574 M575 K581 L582V574-R578 WeakPolarHBondContact O-CB 3.41Å; V574-R578 PolarHBondContact O-N 3.15Å; M575-R578 PolarHBondContact O-N 3.39Å; R578-K581 PolarHBondContact O-N 3.41Å; R578-L582 PolarHBondContact O-N 3.17Å
579F85.8Confident86.8Confident124 Ų124105.2 Ų105.254%0.54453%0.529SS..Hα-helixtrans-63-42.4175.3-86.6-66.9000112.1M575 H576 L582 C583M575-F579 HydrophobicContact CE-CD2 4.49Å; M575-F579 HydrophobicContact CE-CE2 3.8Å; M575-F579 VanDerWaalsContact O-CD2 3.22Å; M575-F579 WeakPolarHBondContact O-CD2 3.36Å; M575-F579 PolarHBondContact O-N 3.12Å; H576-F579 PolarHBondContact O-N 3.49Å; F579-L582 PolarHBondContact O-N 3.03Å; F579-C583 PolarHBondContact O-N 2.91Å; F579-C583 PolarHBondContact O-SG 3.04Å
580K89.6Confident86.7Confident129 Ų129106.2 Ų106.256%0.56153%0.531SS*.Hα-helixtrans-58.9-48.3175.6-173.2177.7177.6-178.80111.8H576 T577 L582 C583 E584H576-K580 WeakPolarHBondContact O-CB 3.45Å; H576-K580 PolarHBondContact O-N 3.3Å; T577-K580 PolarHBondContact O-N 3.33Å; K580-L582 VanDerWaalsContact C-N 3.29Å; K580-L582 PolarHBondContact O-N 2.88Å; K580-C583 PolarHBondContact O-N 3.1Å; K580-E584 WeakPolarHBondContact CE-OE1 3.41Å; K580-E584 PolarHBondContact O-N 2.79Å
581K86.9Confident86.5Confident134 Ų134104 Ų10458%0.58353%0.526SS*.Hα-helixtrans-60.4-36.6175.6-74.1-176.4177.7-177.50112.8T577 R578 K585T577-K581 PolarHBondContact O-N 3.17Å; T577-K581 VanDerWaalsContact O-N 3.08Å; R578-K581 PolarHBondContact O-N 3.41Å; K581-K585 WeakPolarHBondContact O-CG 3.45Å; K581-K585 PolarHBondContact O-N 3.49Å
582L85.5Confident86.6Confident94 Ų94106.2 Ų106.249%0.49253%0.532SS..Hα-helixtrans-67.8-43.1176.9-155.597.1000111.1R578 F579 K580 K585 I586R578-L582 PolarHBondContact O-N 3.17Å; F579-L582 PolarHBondContact O-N 3.03Å; K580-L582 VanDerWaalsContact C-N 3.29Å; K580-L582 PolarHBondContact O-N 2.88Å; L582-K585 PolarHBondContact O-N 3.45Å; L582-I586 HydrophobicContact CD2-CD1 4.11Å; L582-I586 HydrophobicContact CG-CD1 4.41Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 2.85Å
583C85.6Confident86.2Confident67 Ų67105.2 Ų105.245%0.45353%0.533SS..Hα-helixtrans-62.7-42.8176.9-640000111.8F579 K580 K585 I586 L587F579-C583 PolarHBondContact O-N 2.91Å; F579-C583 PolarHBondContact O-SG 3.04Å; K580-C583 PolarHBondContact O-N 3.1Å; C583-K585 VanDerWaalsContact C-N 3.33Å; C583-K585 PolarHBondContact O-N 2.89Å; C583-I586 PolarHBondContact O-N 2.86Å; C583-L587 WeakPolarHBondContact O-CG 3.49Å; C583-L587 PolarHBondContact O-N 3.37Å
584E87.1Confident85.8Confident108 Ų108105.7 Ų105.751%0.50553%0.533SS..Hα-helixtrans-60.2-40.4174.9-74.4169.4-173.200112.1K580 S588K580-E584 WeakPolarHBondContact CE-OE1 3.41Å; K580-E584 PolarHBondContact O-N 2.79Å; E584-S588 WeakPolarHBondContact O-CB 3.4Å; E584-S588 PolarHBondContact O-N 3.44Å
585K86.7Confident85.8Confident158 Ų158106.3 Ų106.369%0.68753%0.531SS*.Hα-helixtrans-65.3-42.5174.9-75.6-178178.5-171.90112.6K581 L582 C583 S588 S589K581-K585 WeakPolarHBondContact O-CG 3.45Å; K581-K585 PolarHBondContact O-N 3.49Å; L582-K585 PolarHBondContact O-N 3.45Å; C583-K585 VanDerWaalsContact C-N 3.33Å; C583-K585 PolarHBondContact O-N 2.89Å; K585-S588 PolarHBondContact O-N 3.05Å; K585-S589 WeakPolarHBondContact O-CB 3.16Å; K585-S589 PolarHBondContact O-N 3.36Å; K585-S589 PolarHBondContact O-OG 2.99Å
586I84.8Confident85.3Confident92 Ų92104.7 Ų104.747%0.47253%0.53SS..Hα-helixtrans-62.4-49.4177.8-68.9166.6000109.8L582 C583 S588 S589 E590L582-I586 HydrophobicContact CD2-CD1 4.11Å; L582-I586 HydrophobicContact CG-CD1 4.41Å; L582-I586 WeakPolarHBondContact O-CG1 3.5Å; L582-I586 PolarHBondContact O-N 2.85Å; C583-I586 PolarHBondContact O-N 2.86Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 3.25Å; I586-S589 PolarHBondContact O-N 2.9Å; I586-S589 VanDerWaalsContact O-N 3.1Å; I586-S589 PolarHBondContact O-OG 3.29Å; I586-E590 PolarHBondContact O-N 2.9Å
587L87.1Confident85Confident111 Ų111103.1 Ų103.158%0.58153%0.526SS*.Hα-helixtrans-60.4-40.4177.4-70.9169.9000112.4C583 E590 A591C583-L587 WeakPolarHBondContact O-CG 3.49Å; C583-L587 PolarHBondContact O-N 3.37Å; L587-E590 PolarHBondContact O-N 2.79Å; L587-A591 WeakPolarHBondContact O-CB 3.45Å; L587-A591 PolarHBondContact O-N 2.93Å
588S88.5Confident84.9Confident61 Ų61106.7 Ų106.743%0.42754%0.536SS..Hα-helixtrans-63.7-39.8174.3-177.80000112.3E584 K585 I586 K592E584-S588 WeakPolarHBondContact O-CB 3.4Å; E584-S588 PolarHBondContact O-N 3.44Å; K585-S588 PolarHBondContact O-N 3.05Å; I586-S588 VanDerWaalsContact C-N 3.34Å; I586-S588 PolarHBondContact O-N 3.25Å; S588-K592 WeakPolarHBondContact O-CG 3.29Å; S588-K592 PolarHBondContact O-N 2.87Å; S588-K592 VanDerWaalsContact O-N 3.1Å
589S82.1Confident84.8Confident68 Ų68102.7 Ų102.748%0.47653%0.525SS..Hα-helixtrans-68.7-37177.170.60000112.6K585 I586 K592 L593K585-S589 WeakPolarHBondContact O-CB 3.16Å; K585-S589 PolarHBondContact O-N 3.36Å; K585-S589 PolarHBondContact O-OG 2.99Å; I586-S589 PolarHBondContact O-N 2.9Å; I586-S589 VanDerWaalsContact O-N 3.1Å; I586-S589 PolarHBondContact O-OG 3.29Å; S589-K592 PolarHBondContact O-N 2.91Å; S589-L593 WeakPolarHBondContact O-CB 3.28Å; S589-L593 PolarHBondContact O-N 3.27Å
590E83.7Confident84.5Confident114 Ų114100 Ų10053%0.53352%0.519SS..Hα-helixtrans-67.8-40.3176.3-169.7175.2-17600111.6I586 L587 K592 L593 T594I586-E590 PolarHBondContact O-N 2.9Å; L587-E590 PolarHBondContact O-N 2.79Å; E590-K592 PolarHBondContact O-N 3.49Å; E590-L593 PolarHBondContact O-N 3.49Å; E590-T594 WeakPolarHBondContact O-CG2 3.43Å; E590-T594 PolarHBondContact O-N 2.65Å; E590-T594 PolarHBondContact O-OG1 3.07Å
591A85Confident84Confident57 Ų5797.5 Ų97.547%0.47151%0.514SS..Hα-helixtrans-61.9-40.7172.500000112.4L587 T594 Q595L587-A591 WeakPolarHBondContact O-CB 3.45Å; L587-A591 PolarHBondContact O-N 2.93Å; A591-T594 WeakPolarHBondContact CA-OG1 3.33Å; A591-T594 PolarHBondContact O-OG1 3.18Å; A591-Q595 WeakPolarHBondContact O-CB 3.48Å; A591-Q595 PolarHBondContact O-N 3.47Å; A591-Q595 VanDerWaalsContact O-N 3.08Å
592K86.5Confident83.8Confident151 Ų15196.1 Ų96.166%0.65751%0.51SS*.Hα-helixtrans-65.6-40.1174.7-72.8176.7-176.6-176.60112.1S588 S589 E590 Q595 A596S588-K592 WeakPolarHBondContact O-CG 3.29Å; S588-K592 PolarHBondContact O-N 2.87Å; S588-K592 VanDerWaalsContact O-N 3.1Å; S589-K592 PolarHBondContact O-N 2.91Å; E590-K592 PolarHBondContact O-N 3.49Å; K592-Q595 PolarHBondContact O-N 2.96Å; K592-A596 WeakPolarHBondContact O-CB 3.33Å; K592-A596 PolarHBondContact O-N 3.42Å
593L79.1Confident83.5Confident128 Ų12896.8 Ų96.867%0.6751%0.513SS*.Hα-helixtrans-70.4-38.7-178.9-161.7135.2000111.9S589 E590 A596 N597S589-L593 WeakPolarHBondContact O-CB 3.28Å; S589-L593 PolarHBondContact O-N 3.27Å; E590-L593 PolarHBondContact O-N 3.49Å; L593-A596 PolarHBondContact O-N 2.91Å; L593-N597 WeakPolarHBondContact O-CB 3.34Å; L593-N597 PolarHBondContact O-N 3.5Å
594T80.5Confident83.3Confident75 Ų7599.6 Ų99.646%0.4652%0.517SS..Hα-helixtrans-66.3-37.5173.348.10000112.5E590 A591 N597 K598E590-T594 WeakPolarHBondContact O-CG2 3.43Å; E590-T594 PolarHBondContact O-N 2.65Å; E590-T594 PolarHBondContact O-OG1 3.07Å; A591-T594 WeakPolarHBondContact CA-OG1 3.33Å; A591-T594 PolarHBondContact O-OG1 3.18Å; T594-N597 PolarHBondContact O-N 2.89Å; T594-K598 PolarHBondContact O-N 2.77Å; T594-K598 VanDerWaalsContact O-N 3.14Å
595Q87.2Confident83.1Confident96 Ų9699.2 Ų99.245%0.44952%0.522SS..Hα-helixtrans-64.7-48.8172.7179.960.921.600112.1A591 K592 N597 K598 E599A591-Q595 WeakPolarHBondContact O-CB 3.48Å; A591-Q595 PolarHBondContact O-N 3.47Å; A591-Q595 VanDerWaalsContact O-N 3.08Å; K592-Q595 PolarHBondContact O-N 2.96Å; Q595-N597 VanDerWaalsContact C-N 3.27Å; Q595-N597 PolarHBondContact O-N 3.24Å; Q595-K598 WeakPolarHBondContact O-CB 3.3Å; Q595-K598 PolarHBondContact O-N 3.28Å; Q595-K598 VanDerWaalsContact O-N 3.15Å; Q595-E599 PolarHBondContact NE2-OE1 3.27Å; Q595-E599 PolarHBondContact O-N 3.2Å
596A78.9Confident83Confident46 Ų4697.3 Ų97.338%0.3851%0.514SS..Hα-helixtrans-59.8-37.9177.100000112K592 L593 E599 V600K592-A596 WeakPolarHBondContact O-CB 3.33Å; K592-A596 PolarHBondContact O-N 3.42Å; L593-A596 PolarHBondContact O-N 2.91Å; A596-E599 PolarHBondContact O-N 3.21Å; A596-V600 WeakPolarHBondContact O-CG2 3.44Å; A596-V600 PolarHBondContact O-N 3.28Å
597N80.6Confident82.7Confident103 Ų10398.7 Ų98.755%0.55152%0.518SS*.Hα-helixtrans-66.4-38.9177.4-157.322.7000112L593 T594 Q595 V600 T601L593-N597 WeakPolarHBondContact O-CB 3.34Å; L593-N597 PolarHBondContact O-N 3.5Å; T594-N597 PolarHBondContact O-N 2.89Å; Q595-N597 VanDerWaalsContact C-N 3.27Å; Q595-N597 PolarHBondContact O-N 3.24Å; N597-V600 PolarHBondContact O-N 2.85Å; N597-T601 WeakPolarHBondContact O-CG2 3.37Å; N597-T601 PolarHBondContact O-N 3.13Å; N597-T601 PolarHBondContact O-OG1 2.99Å
598K85.5Confident82.5Confident144 Ų14498.6 Ų98.663%0.62652%0.518SS*.Hα-helixtrans-60.2-45.5172.1-75.8-179.6179.4179.30111.6T594 Q595 V600 T601 E602T594-K598 PolarHBondContact O-N 2.77Å; T594-K598 VanDerWaalsContact O-N 3.14Å; Q595-K598 WeakPolarHBondContact O-CB 3.3Å; Q595-K598 PolarHBondContact O-N 3.28Å; Q595-K598 VanDerWaalsContact O-N 3.15Å; K598-V600 PolarHBondContact O-N 3.36Å; K598-T601 WeakPolarHBondContact CA-OG1 3.41Å; K598-T601 PolarHBondContact O-N 3.28Å; K598-T601 PolarHBondContact O-OG1 2.97Å; K598-E602 PolarHBondContact O-N 2.82Å
599E83.5Confident82.5Confident96 Ų96102 Ų10245%0.44953%0.525SS..Hα-helixtrans-62.5-41.8178.6-70.5171.6-164.500112.2Q595 A596 T601 E602 I603Q595-E599 PolarHBondContact NE2-OE1 3.27Å; Q595-E599 PolarHBondContact O-N 3.2Å; A596-E599 PolarHBondContact O-N 3.21Å; E599-T601 VanDerWaalsContact C-N 3.33Å; E599-T601 PolarHBondContact O-N 3.48Å; E599-E602 PolarHBondContact O-N 3.34Å; E599-I603 WeakPolarHBondContact O-CG1 3.3Å; E599-I603 PolarHBondContact O-N 2.98Å
600V79.2Confident82.7Confident69 Ų69102.4 Ų102.442%0.41852%0.524SS..Hα-helixtrans-62.1-40.5174.8170.90000111.5A596 N597 K598 I603 K604A596-V600 WeakPolarHBondContact O-CG2 3.44Å; A596-V600 PolarHBondContact O-N 3.28Å; N597-V600 PolarHBondContact O-N 2.85Å; K598-V600 PolarHBondContact O-N 3.36Å; V600-I603 PolarHBondContact O-N 2.78Å; V600-K604 HydrophobicContact CG1-CD 4.49Å; V600-K604 WeakPolarHBondContact O-CG 3.31Å; V600-K604 PolarHBondContact O-N 2.93Å
601T80.5Confident82.5Confident76 Ų76101.3 Ų101.347%0.46652%0.521SS..Hα-helixtrans-65.4-38.117657.70000112.3N597 K598 E599 K604 V605N597-T601 WeakPolarHBondContact O-CG2 3.37Å; N597-T601 PolarHBondContact O-N 3.13Å; N597-T601 PolarHBondContact O-OG1 2.99Å; K598-T601 WeakPolarHBondContact CA-OG1 3.41Å; K598-T601 PolarHBondContact O-N 3.28Å; K598-T601 PolarHBondContact O-OG1 2.97Å; E599-T601 VanDerWaalsContact C-N 3.33Å; E599-T601 PolarHBondContact O-N 3.48Å; T601-K604 PolarHBondContact O-N 2.7Å; T601-V605 WeakPolarHBondContact O-CG2 3.48Å; T601-V605 PolarHBondContact O-N 3.35Å
602E82.4Confident82.4Confident105 Ų105102.8 Ų102.849%0.49152%0.524SS..Hα-helixtrans-67.5-40.4176.9-161.7-171.4152.200112K598 E599 V605 K606K598-E602 PolarHBondContact O-N 2.82Å; E599-E602 PolarHBondContact O-N 3.34Å; E602-V605 PolarHBondContact O-N 3.04Å; E602-K606 WeakPolarHBondContact O-CG 3.03Å; E602-K606 PolarHBondContact O-N 2.88Å; E602-K606 WeakPolarHBondContact OE1-CE 3.34Å; E602-K606 IonicContact OE1-NZ 3.78Å; E602-K606 PolarHBondContact OE1-NZ 2.91Å
603I78.9Confident82.2Confident107 Ų107100.5 Ų100.555%0.54952%0.516SS..Hα-helixtrans-61.4-44.3174.4-69167.1000110.6E599 V600 V605 K606 Q607E599-I603 WeakPolarHBondContact O-CG1 3.3Å; E599-I603 PolarHBondContact O-N 2.98Å; V600-I603 PolarHBondContact O-N 2.78Å; I603-V605 PolarHBondContact O-N 3.24Å; I603-K606 PolarHBondContact O-N 3.27Å; I603-Q607 WeakPolarHBondContact O-CB 3.19Å; I603-Q607 PolarHBondContact O-N 3.46Å
604K81.8Confident82.2Confident126 Ų12699.1 Ų99.155%0.54851%0.509SS..Hα-helixtrans-60.7-43.3176.8-78-179.4176.9-179.30112V600 T601 Q607 I608V600-K604 HydrophobicContact CG1-CD 4.49Å; V600-K604 WeakPolarHBondContact O-CG 3.31Å; V600-K604 PolarHBondContact O-N 2.93Å; T601-K604 PolarHBondContact O-N 2.7Å; K604-Q607 PolarHBondContact O-N 3.21Å; K604-I608 WeakPolarHBondContact O-CG1 3.4Å; K604-I608 PolarHBondContact O-N 3.13Å
605V83.2Confident82.2Confident101 Ų10199 Ų9961%0.61251%0.51SS*.Hα-helixtrans-62.6-43.6176.5172.30000111.1T601 E602 I603 Q607 I608 K609T601-V605 WeakPolarHBondContact O-CG2 3.48Å; T601-V605 PolarHBondContact O-N 3.35Å; E602-V605 PolarHBondContact O-N 3.04Å; I603-V605 PolarHBondContact O-N 3.24Å; V605-Q607 PolarHBondContact O-N 2.88Å; V605-I608 PolarHBondContact O-N 2.95Å; V605-K609 PolarHBondContact O-N 3.21Å
606K83.8Confident81.9Confident118 Ų11897.3 Ų97.351%0.51351%0.512SS..Hα-helixtrans-62.6-41.8175.5-73.1174.6-174.8165.80112.1E602 I603 K609 V610E602-K606 WeakPolarHBondContact O-CG 3.03Å; E602-K606 PolarHBondContact O-N 2.88Å; E602-K606 WeakPolarHBondContact OE1-CE 3.34Å; E602-K606 IonicContact OE1-NZ 3.78Å; E602-K606 PolarHBondContact OE1-NZ 2.91Å; I603-K606 PolarHBondContact O-N 3.27Å; K606-K609 WeakPolarHBondContact O-CB 3.07Å; K606-K609 PolarHBondContact O-N 3.33Å; K606-V610 WeakPolarHBondContact O-CG2 3.37Å; K606-V610 PolarHBondContact O-N 3.42Å
607Q79.3Confident82.1Confident120 Ų120100.8 Ų100.856%0.56152%0.521SS*.Hα-helixtrans-63.9-44178.9-165.8178.720.800111.7I603 K604 V605 K609 V610 I611I603-Q607 WeakPolarHBondContact O-CB 3.19Å; I603-Q607 PolarHBondContact O-N 3.46Å; K604-Q607 PolarHBondContact O-N 3.21Å; V605-Q607 PolarHBondContact O-N 2.88Å; Q607-K609 VanDerWaalsContact C-N 3.3Å; Q607-K609 PolarHBondContact O-N 3.47Å; Q607-V610 PolarHBondContact O-N 2.92Å; Q607-I611 HydrophobicContact CG-CD1 4.1Å; Q607-I611 VanDerWaalsContact O-CG1 3.28Å; Q607-I611 WeakPolarHBondContact O-CG1 3.49Å; Q607-I611 PolarHBondContact O-N 3.38Å
608I82.8Confident82.2Confident110 Ų110103.6 Ų103.656%0.56453%0.528SS*.Hα-helixtrans-60.6-42175.1-68.5166.8000110.5K604 V605 I611 T612K604-I608 WeakPolarHBondContact O-CG1 3.4Å; K604-I608 PolarHBondContact O-N 3.13Å; V605-I608 PolarHBondContact O-N 2.95Å; I608-I611 PolarHBondContact O-N 3Å; I608-T612 WeakPolarHBondContact O-CB 3.31Å; I608-T612 PolarHBondContact O-N 3.05Å; I608-T612 PolarHBondContact O-OG1 2.92Å
609K88.4Confident82.2Confident133 Ų133104.2 Ų104.258%0.57853%0.531SS*.Hα-helixtrans-60.4-48.2176.6-170.8-179.7176.9-175.60112V605 K606 Q607 I611 T612 E613V605-K609 PolarHBondContact O-N 3.21Å; K606-K609 WeakPolarHBondContact O-CB 3.07Å; K606-K609 PolarHBondContact O-N 3.33Å; Q607-K609 VanDerWaalsContact C-N 3.3Å; Q607-K609 PolarHBondContact O-N 3.47Å; K609-I611 PolarHBondContact O-N 3.07Å; K609-T612 PolarHBondContact O-N 3.32Å; K609-E613 WeakPolarHBondContact CE-OE1 3.47Å; K609-E613 PolarHBondContact O-N 3Å
610V85.3Confident82.1Confident75 Ų75104.7 Ų104.746%0.45553%0.533SS..Hα-helixtrans-62.6-42.6178.3172.20000111.8K606 Q607 T612 E613 L614K606-V610 WeakPolarHBondContact O-CG2 3.37Å; K606-V610 PolarHBondContact O-N 3.42Å; Q607-V610 PolarHBondContact O-N 2.92Å; V610-T612 VanDerWaalsContact C-N 3.28Å; V610-T612 PolarHBondContact O-N 3.01Å; V610-E613 PolarHBondContact O-N 3.41Å; V610-L614 HydrophobicContact CG1-CD1 3.97Å; V610-L614 HydrophobicContact CG1-CG 4.44Å; V610-L614 WeakPolarHBondContact O-CB 3.37Å; V610-L614 WeakPolarHBondContact O-CG 3.42Å; V610-L614 PolarHBondContact O-N 3.48Å
611I79.2Confident82.2Confident92 Ų92106.4 Ų106.447%0.47254%0.539SS..Hα-helixtrans-61-40.7176.7-69.9167000110.6Q607 I608 K609 L614 C615Q607-I611 HydrophobicContact CG-CD1 4.1Å; Q607-I611 VanDerWaalsContact O-CG1 3.28Å; Q607-I611 WeakPolarHBondContact O-CG1 3.49Å; Q607-I611 PolarHBondContact O-N 3.38Å; I608-I611 PolarHBondContact O-N 3Å; K609-I611 PolarHBondContact O-N 3.07Å; I611-L614 PolarHBondContact O-N 2.96Å; I611-C615 WeakPolarHBondContact O-CB 3.41Å; I611-C615 PolarHBondContact O-N 3.46Å; I611-C615 PolarHBondContact O-SG 2.97Å
612T82.6Confident82.2Confident88 Ų88105.4 Ų105.454%0.5454%0.536SS..Hα-helixtrans-67.8-41.9179.8-47.70000111.6I608 K609 V610 C615 A616I608-T612 WeakPolarHBondContact O-CB 3.31Å; I608-T612 PolarHBondContact O-N 3.05Å; I608-T612 PolarHBondContact O-OG1 2.92Å; K609-T612 PolarHBondContact O-N 3.32Å; V610-T612 VanDerWaalsContact C-N 3.28Å; V610-T612 PolarHBondContact O-N 3.01Å; T612-C615 PolarHBondContact O-N 3.25Å; T612-A616 PolarHBondContact O-N 3.49Å
613E83Confident82.4Confident102 Ų102105.4 Ų105.448%0.47754%0.538SS..Hα-helixtrans-63.2-44.3174-80.5170.5-172.700112.2K609 V610 C615 A616 Q617K609-E613 WeakPolarHBondContact CE-OE1 3.47Å; K609-E613 PolarHBondContact O-N 3Å; V610-E613 PolarHBondContact O-N 3.41Å; E613-C615 VanDerWaalsContact C-N 3.35Å; E613-C615 PolarHBondContact O-N 3.46Å; E613-A616 PolarHBondContact O-N 3.4Å; E613-Q617 PolarHBondContact O-N 3.35Å
614L78.6Confident82.6Confident100 Ų100105.1 Ų105.152%0.52453%0.534SS..Hα-helixtrans-63.2-39.2176-77.3170.7000112.3V610 I611 A616 Q617 K618V610-L614 HydrophobicContact CG1-CD1 3.97Å; V610-L614 HydrophobicContact CG1-CG 4.44Å; V610-L614 WeakPolarHBondContact O-CB 3.37Å; V610-L614 WeakPolarHBondContact O-CG 3.42Å; V610-L614 PolarHBondContact O-N 3.48Å; I611-L614 PolarHBondContact O-N 2.96Å; L614-A616 VanDerWaalsContact C-N 3.33Å; L614-Q617 PolarHBondContact O-N 2.87Å; L614-K618 WeakPolarHBondContact O-CB 3.27Å; L614-K618 PolarHBondContact O-N 3.43Å
615C81.2Confident82.6Confident71 Ų71105.1 Ų105.148%0.4854%0.538SS..Hα-helixtrans-64.8-37.8175-70.90000112I611 T612 E613 K619I611-C615 WeakPolarHBondContact O-CB 3.41Å; I611-C615 PolarHBondContact O-N 3.46Å; I611-C615 PolarHBondContact O-SG 2.97Å; T612-C615 PolarHBondContact O-N 3.25Å; E613-C615 VanDerWaalsContact C-N 3.35Å; E613-C615 PolarHBondContact O-N 3.46Å; C615-K619 WeakPolarHBondContact O-CG 3.46Å; C615-K619 PolarHBondContact O-N 3.38Å; C615-K619 VanDerWaalsContact O-N 3.17Å
616A82Confident82.7Confident61 Ų61103.6 Ų103.650%0.50453%0.526SS..Hα-helixtrans-67.3-44.3175.100000111.8T612 E613 L614 K618 K619 Q620T612-A616 PolarHBondContact O-N 3.49Å; E613-A616 PolarHBondContact O-N 3.4Å; L614-A616 VanDerWaalsContact C-N 3.33Å; A616-K618 PolarHBondContact O-N 2.88Å; A616-K619 PolarHBondContact O-N 3.33Å; A616-Q620 PolarHBondContact O-N 3.24Å
617Q82.1Confident82.9Confident120 Ų120103.9 Ų103.956%0.56153%0.527SS*.Hα-helixtrans-62.2-42.5175.7-75.4-179-6.400112.4E613 L614 K619 Q620 L621E613-Q617 PolarHBondContact O-N 3.35Å; L614-Q617 PolarHBondContact O-N 2.87Å; Q617-K619 VanDerWaalsContact C-N 3.32Å; Q617-K619 PolarHBondContact O-N 3.35Å; Q617-Q620 PolarHBondContact O-N 3Å; Q617-L621 PolarHBondContact O-N 3.23Å
618K83.7Confident82.9Confident162 Ų162103.2 Ų103.270%0.70453%0.526SS*.Hα-helixtrans-59.7-41.8175.5-175.7-179.3178.1-178.70111.8L614 A616 S622L614-K618 WeakPolarHBondContact O-CB 3.27Å; L614-K618 PolarHBondContact O-N 3.43Å; A616-K618 PolarHBondContact O-N 2.88Å; K618-S622 PolarHBondContact O-N 3.24Å
619K84.2Confident83.1Confident156 Ų156105.3 Ų105.368%0.67853%0.527SS*.Hα-helixtrans-63.3-42.4174.9-76.8-178178.5-176.80111.6C615 A616 Q617 S622 I623C615-K619 WeakPolarHBondContact O-CG 3.46Å; C615-K619 PolarHBondContact O-N 3.38Å; C615-K619 VanDerWaalsContact O-N 3.17Å; A616-K619 PolarHBondContact O-N 3.33Å; Q617-K619 VanDerWaalsContact C-N 3.32Å; Q617-K619 PolarHBondContact O-N 3.35Å; K619-S622 WeakPolarHBondContact O-CB 3.42Å; K619-S622 PolarHBondContact O-N 3.36Å; K619-I623 WeakPolarHBondContact O-CG1 3.44Å; K619-I623 PolarHBondContact O-N 3.1Å; K619-I623 VanDerWaalsContact O-N 3.12Å
620Q81.9Confident82.9Confident106 Ų106103.9 Ų103.950%0.49553%0.525SS..Hα-helixtrans-64.3-46.2178.2-172.662.720.200112.3A616 Q617 S622 I623 E624A616-Q620 PolarHBondContact O-N 3.24Å; Q617-Q620 PolarHBondContact O-N 3Å; Q620-S622 VanDerWaalsContact C-N 3.29Å; Q620-S622 PolarHBondContact O-N 3.48Å; Q620-I623 PolarHBondContact O-N 2.98Å; Q620-I623 VanDerWaalsContact O-N 3.15Å; Q620-E624 PolarHBondContact O-N 3.1Å
621L80.6Confident82.9Confident105 Ų105105.1 Ų105.155%0.5553%0.526SS..Hα-helixtrans-60-38.3175.2-92154.4000112Q617 E624 M625Q617-L621 PolarHBondContact O-N 3.23Å; L621-E624 PolarHBondContact O-N 3.13Å; L621-M625 WeakPolarHBondContact O-CG 3.41Å; L621-M625 PolarHBondContact O-N 2.72Å
622S81.9Confident82.9Confident56 Ų56104.7 Ų104.739%0.39253%0.531SS..Hα-helixtrans-61.9-43.6174.7-165.60000111.9K618 K619 Q620 E624 M625 D626K618-S622 PolarHBondContact O-N 3.24Å; K619-S622 WeakPolarHBondContact O-CB 3.42Å; K619-S622 PolarHBondContact O-N 3.36Å; Q620-S622 VanDerWaalsContact C-N 3.29Å; Q620-S622 PolarHBondContact O-N 3.48Å; S622-E624 VanDerWaalsContact C-N 3.34Å; S622-M625 PolarHBondContact O-N 3.25Å; S622-D626 PolarHBondContact O-N 3.27Å
623I86.7Confident83Confident105 Ų105106 Ų10654%0.53853%0.531SS..Hα-helixtrans-64.3-40.1177.3-65.8165.6000110.7K619 Q620 D626 K627K619-I623 WeakPolarHBondContact O-CG1 3.44Å; K619-I623 PolarHBondContact O-N 3.1Å; K619-I623 VanDerWaalsContact O-N 3.12Å; Q620-I623 PolarHBondContact O-N 2.98Å; Q620-I623 VanDerWaalsContact O-N 3.15Å; I623-D626 PolarHBondContact O-N 3.03Å; I623-K627 WeakPolarHBondContact O-CB 3.4Å; I623-K627 PolarHBondContact O-N 3.49Å
624E81.3Confident83.1Confident100 Ų100105.5 Ų105.547%0.46753%0.531SS..Hα-helixtrans-67.5-41.5176.1-77.2-172.6173.600112.8Q620 L621 S622 D626 K627 I628Q620-E624 PolarHBondContact O-N 3.1Å; L621-E624 PolarHBondContact O-N 3.13Å; S622-E624 VanDerWaalsContact C-N 3.34Å; E624-D626 VanDerWaalsContact C-N 3.34Å; E624-D626 PolarHBondContact O-N 2.83Å; E624-K627 WeakPolarHBondContact O-CB 3.43Å; E624-K627 PolarHBondContact O-N 3.41Å; E624-I628 WeakPolarHBondContact O-CG1 3.4Å; E624-I628 PolarHBondContact O-N 3.05Å
625M82.7Confident83.3Confident127 Ų127102 Ų10263%0.62652%0.519SS*.Hα-helixtrans-61.8-42.8173.9-72.9-166-32.600111.7L621 S622 K627 I628 R629L621-M625 WeakPolarHBondContact O-CG 3.41Å; L621-M625 PolarHBondContact O-N 2.72Å; S622-M625 PolarHBondContact O-N 3.25Å; M625-K627 VanDerWaalsContact C-N 3.3Å; M625-K627 PolarHBondContact O-N 3.34Å; M625-I628 PolarHBondContact O-N 3.04Å; M625-R629 VanDerWaalsContact O-CB 3.32Å; M625-R629 WeakPolarHBondContact O-CB 3.42Å; M625-R629 PolarHBondContact O-N 3.33Å
626D84.7Confident83.4Confident68 Ų68104.8 Ų104.836%0.36452%0.523SS..Hα-helixtrans-63-38.8176.2-80.2-38.9000111.6S622 I623 E624 R629 L630S622-D626 PolarHBondContact O-N 3.27Å; I623-D626 PolarHBondContact O-N 3.03Å; E624-D626 VanDerWaalsContact C-N 3.34Å; E624-D626 PolarHBondContact O-N 2.83Å; D626-R629 IonicContact OD1-CZ 3.51Å; D626-R629 IonicContact OD1-NE 2.88Å; D626-R629 IonicContact OD1-NH2 3.21Å; D626-R629 PolarHBondContact OD1-NH2 2.94Å; D626-L630 PolarHBondContact O-N 2.91Å
627K88Confident83.6Confident124 Ų124107.2 Ų107.254%0.53952%0.524SS..Hα-helixtrans-63.9-49.5174.9-173.4-172177.3-140.80112.2I623 E624 M625 R629 L630 E631I623-K627 WeakPolarHBondContact O-CB 3.4Å; I623-K627 PolarHBondContact O-N 3.49Å; E624-K627 WeakPolarHBondContact O-CB 3.43Å; E624-K627 PolarHBondContact O-N 3.41Å; M625-K627 VanDerWaalsContact C-N 3.3Å; M625-K627 PolarHBondContact O-N 3.34Å; K627-R629 VanDerWaalsContact C-N 3.29Å; K627-R629 PolarHBondContact O-N 3.41Å; K627-L630 PolarHBondContact O-N 3.46Å; K627-E631 WeakPolarHBondContact CE-OE1 3.28Å; K627-E631 IonicContact NZ-OE1 3.91Å; K627-E631 PolarHBondContact NZ-OE1 3.13Å; K627-E631 WeakPolarHBondContact O-CG 3.25Å; K627-E631 PolarHBondContact O-N 3.08Å
628I80.7Confident83.7Confident106 Ų106107.9 Ų107.954%0.54453%0.527SS..Hα-helixtrans-61.8-40.3179-68.9167.4000110.5E624 M625 L630 E631 S632E624-I628 WeakPolarHBondContact O-CG1 3.4Å; E624-I628 PolarHBondContact O-N 3.05Å; M625-I628 PolarHBondContact O-N 3.04Å; I628-L630 VanDerWaalsContact C-N 3.35Å; I628-L630 PolarHBondContact O-N 3.27Å; I628-E631 PolarHBondContact O-N 2.88Å; I628-S632 VanDerWaalsContact O-CB 3.29Å; I628-S632 WeakPolarHBondContact O-CB 3.26Å; I628-S632 PolarHBondContact O-N 3.21Å
629R85.6Confident83.8Confident154 Ų154108.6 Ų108.658%0.58153%0.525SS*.Hα-helixtrans-59-46.9175.3-179174.260.2140.5-6.6111.2M625 D626 K627 S632 E633M625-R629 VanDerWaalsContact O-CB 3.32Å; M625-R629 WeakPolarHBondContact O-CB 3.42Å; M625-R629 PolarHBondContact O-N 3.33Å; D626-R629 IonicContact OD1-CZ 3.51Å; D626-R629 IonicContact OD1-NE 2.88Å; D626-R629 IonicContact OD1-NH2 3.21Å; D626-R629 PolarHBondContact OD1-NH2 2.94Å; K627-R629 VanDerWaalsContact C-N 3.29Å; K627-R629 PolarHBondContact O-N 3.41Å; R629-S632 WeakPolarHBondContact O-CB 3.43Å; R629-S632 PolarHBondContact O-N 3.33Å; R629-E633 PolarHBondContact O-N 2.84Å
630L85Confident84Confident104 Ų104105.5 Ų105.555%0.54551%0.513SS..Hα-helixtrans-64.8-42.5178.4-123.2133.4000112.3D626 K627 I628 S632 E633 I634D626-L630 PolarHBondContact O-N 2.91Å; K627-L630 PolarHBondContact O-N 3.46Å; I628-L630 VanDerWaalsContact C-N 3.35Å; I628-L630 PolarHBondContact O-N 3.27Å; L630-S632 VanDerWaalsContact C-N 3.34Å; L630-S632 PolarHBondContact O-N 2.98Å; L630-E633 PolarHBondContact O-N 3.32Å; L630-I634 HydrophobicContact CD2-CD1 4.26Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 2.85Å
631E84.5Confident84.2Confident101 Ų101105.7 Ų105.747%0.47252%0.518SS..Hα-helixtrans-63.5-38.9175.5-73.7176.2172.500111.8K627 I628 G635K627-E631 WeakPolarHBondContact CE-OE1 3.28Å; K627-E631 IonicContact NZ-OE1 3.91Å; K627-E631 PolarHBondContact NZ-OE1 3.13Å; K627-E631 WeakPolarHBondContact O-CG 3.25Å; K627-E631 PolarHBondContact O-N 3.08Å; I628-E631 PolarHBondContact O-N 2.88Å; E631-G635 PolarHBondContact O-N 2.84Å
632S80.4Confident84.5Confident82 Ų82107.2 Ų107.257%0.57352%0.52SS*.Hα-helixtrans-64.8-41.2174.5177.80000112.2I628 R629 L630 G635 F636I628-S632 VanDerWaalsContact O-CB 3.29Å; I628-S632 WeakPolarHBondContact O-CB 3.26Å; I628-S632 PolarHBondContact O-N 3.21Å; R629-S632 WeakPolarHBondContact O-CB 3.43Å; R629-S632 PolarHBondContact O-N 3.33Å; L630-S632 VanDerWaalsContact C-N 3.34Å; L630-S632 PolarHBondContact O-N 2.98Å; S632-G635 PolarHBondContact O-N 3.3Å; S632-F636 WeakPolarHBondContact O-CB 3.32Å; S632-F636 PolarHBondContact O-N 3.3Å
633E83.9Confident84.6Confident116 Ų116107.2 Ų107.254%0.54252%0.517SS..Hα-helixtrans-65.4-43.5178.1-131.6164.8-163.200111.4R629 L630 F636 H637R629-E633 PolarHBondContact O-N 2.84Å; L630-E633 PolarHBondContact O-N 3.32Å; E633-F636 PolarHBondContact O-N 3.16Å; E633-H637 PolarHBondContact O-N 3.02Å; E633-H637 VanDerWaalsContact O-N 3.09Å; E633-H637 PolarHBondContact O-ND1 3.2Å
634I85.7Confident84.6Confident91 Ų91105.9 Ų105.947%0.46751%0.511SS..Hα-helixtrans-61.4-48.4173.4-66.8165.7000110.4L630 F636 H637 E638L630-I634 HydrophobicContact CD2-CD1 4.26Å; L630-I634 VanDerWaalsContact O-CG1 3.3Å; L630-I634 WeakPolarHBondContact O-CG1 3.49Å; L630-I634 PolarHBondContact O-N 2.85Å; I634-F636 VanDerWaalsContact C-N 3.3Å; I634-F636 PolarHBondContact O-N 2.94Å; I634-H637 PolarHBondContact O-N 3.29Å; I634-E638 PolarHBondContact O-N 3.4Å
635G82.4Confident85Confident26 Ų26106.9 Ų106.927%0.26852%0.519SS..Hα-helixtrans-62.1-35.2179.300000113.4E631 S632 W639E631-G635 PolarHBondContact O-N 2.84Å; S632-G635 PolarHBondContact O-N 3.3Å; G635-W639 PolarHBondContact O-N 3.03Å
636F84.1Confident85.1Confident131 Ų131105.5 Ų105.558%0.57551%0.514SS*.Hα-helixtrans-64.9-46.3173.5-176.9-92000111.6S632 E633 I634 E638 W639 E640S632-F636 WeakPolarHBondContact O-CB 3.32Å; S632-F636 PolarHBondContact O-N 3.3Å; E633-F636 PolarHBondContact O-N 3.16Å; I634-F636 VanDerWaalsContact C-N 3.3Å; I634-F636 PolarHBondContact O-N 2.94Å; F636-E638 VanDerWaalsContact C-N 3.34Å; F636-E638 PolarHBondContact O-N 3.1Å; F636-W639 PolarHBondContact O-N 3.46Å; F636-E640 WeakPolarHBondContact O-CB 3.47Å; F636-E640 PolarHBondContact O-N 3.43Å
637H85.1Confident85.1Confident111 Ų111107.8 Ų107.851%0.51452%0.521SS..Hα-helixtrans-63.2-37.9177.2-78.331.7000112.3E633 I634 N641E633-H637 PolarHBondContact O-N 3.02Å; E633-H637 VanDerWaalsContact O-N 3.09Å; E633-H637 PolarHBondContact O-ND1 3.2Å; I634-H637 PolarHBondContact O-N 3.29Å; H637-N641 WeakPolarHBondContact O-CB 3.23Å; H637-N641 PolarHBondContact O-N 2.9Å; H637-N641 PolarHBondContact O-ND2 3.08Å; H637-N641 VanDerWaalsContact O-ND2 3.11Å
638E85.4Confident84.9Confident134 Ų134105.9 Ų105.963%0.62652%0.519SS*.Hα-helixtrans-63.1-43.2173.7-73.4-177.617700112.3I634 F636 K642I634-E638 PolarHBondContact O-N 3.4Å; F636-E638 VanDerWaalsContact C-N 3.34Å; F636-E638 PolarHBondContact O-N 3.1Å; E638-K642 PolarHBondContact O-N 3.26Å; E638-K642 VanDerWaalsContact O-N 3.08Å
639W84.6Confident85.1Confident177 Ų177106.1 Ų106.167%0.6752%0.518SS*.Hα-helixtrans-66.6-43.3177.1-108.3100.1000112.7G635 F636 N641 K642 V643G635-W639 PolarHBondContact O-N 3.03Å; F636-W639 PolarHBondContact O-N 3.46Å; W639-N641 VanDerWaalsContact C-N 3.34Å; W639-N641 PolarHBondContact O-N 3.25Å; W639-K642 PolarHBondContact O-N 3.33Å; W639-K642 VanDerWaalsContact O-N 3.15Å; W639-V643 HydrophobicContact CE3-CG2 3.9Å; W639-V643 HydrophobicContact CZ3-CG2 4.17Å; W639-V643 WeakPolarHBondContact O-CG2 3.48Å; W639-V643 PolarHBondContact O-N 2.96Å
640E88.8Confident85.1Confident92 Ų92103.3 Ų103.343%0.4352%0.515SS..Hα-helixtrans-59.7-45.8176.7-176.1170.6-150.700111F636 K642 V643 N644F636-E640 WeakPolarHBondContact O-CB 3.47Å; F636-E640 PolarHBondContact O-N 3.43Å; E640-K642 VanDerWaalsContact C-N 3.3Å; E640-K642 PolarHBondContact O-N 3.35Å; E640-V643 PolarHBondContact O-N 3.38Å; E640-N644 WeakPolarHBondContact O-CB 3.4Å; E640-N644 VanDerWaalsContact O-CG 3.3Å; E640-N644 PolarHBondContact O-N 3.03Å; E640-N644 PolarHBondContact O-ND2 3.48Å
641N86.7Confident85.1Confident110 Ų110106.6 Ų106.659%0.58852%0.521SS*.Hα-helixtrans-59-40.3174.1-74.4-28.1000112.3H637 W639 N644 L645H637-N641 WeakPolarHBondContact O-CB 3.23Å; H637-N641 PolarHBondContact O-N 2.9Å; H637-N641 PolarHBondContact O-ND2 3.08Å; H637-N641 VanDerWaalsContact O-ND2 3.11Å; W639-N641 VanDerWaalsContact C-N 3.34Å; W639-N641 PolarHBondContact O-N 3.25Å; N641-N644 PolarHBondContact O-N 2.72Å; N641-L645 PolarHBondContact O-N 3.13Å
642K87.2Confident85Confident136 Ų136107.9 Ų107.959%0.59153%0.527SS*.Hα-helixtrans-68.8-40178.9-163.5172.2-173.11750112.8E638 W639 E640 N644 L645 L646E638-K642 PolarHBondContact O-N 3.26Å; E638-K642 VanDerWaalsContact O-N 3.08Å; W639-K642 PolarHBondContact O-N 3.33Å; W639-K642 VanDerWaalsContact O-N 3.15Å; E640-K642 VanDerWaalsContact C-N 3.3Å; E640-K642 PolarHBondContact O-N 3.35Å; K642-N644 VanDerWaalsContact C-N 3.34Å; K642-L645 PolarHBondContact O-N 3.01Å; K642-L646 WeakPolarHBondContact O-CG 3.47Å; K642-L646 PolarHBondContact O-N 3.32Å; K642-L646 VanDerWaalsContact O-N 3.08Å
643V84.1Confident85.1Confident56 Ų56108.2 Ų108.234%0.33952%0.522SS..Hα-helixtrans-64.5-40.9175.1169.50000110.9W639 E640 L645 L646 K647W639-V643 HydrophobicContact CE3-CG2 3.9Å; W639-V643 HydrophobicContact CZ3-CG2 4.17Å; W639-V643 WeakPolarHBondContact O-CG2 3.48Å; W639-V643 PolarHBondContact O-N 2.96Å; E640-V643 PolarHBondContact O-N 3.38Å; V643-L645 VanDerWaalsContact C-N 3.34Å; V643-L645 PolarHBondContact O-N 3.43Å; V643-L646 PolarHBondContact O-N 3.26Å; V643-K647 PolarHBondContact O-N 2.83Å
644N86.5Confident85Confident77 Ų77106.9 Ų106.941%0.41252%0.518SS..Hα-helixtrans-64-39.5176.9-71.7-28000111.9E640 N641 K642 K647 T648E640-N644 WeakPolarHBondContact O-CB 3.4Å; E640-N644 VanDerWaalsContact O-CG 3.3Å; E640-N644 PolarHBondContact O-N 3.03Å; E640-N644 PolarHBondContact O-ND2 3.48Å; N641-N644 PolarHBondContact O-N 2.72Å; K642-N644 VanDerWaalsContact C-N 3.34Å; N644-K647 PolarHBondContact O-N 3.03Å; N644-T648 PolarHBondContact O-N 3.15Å; N644-T648 PolarHBondContact O-OG1 3.14Å
645L88.2Confident84.6Confident122 Ų122105.6 Ų105.664%0.63952%0.522SS*.Hα-helixtrans-63.7-43.8175-162.677.2000112.5N641 K642 V643 K647 T648 E649N641-L645 PolarHBondContact O-N 3.13Å; K642-L645 PolarHBondContact O-N 3.01Å; V643-L645 VanDerWaalsContact C-N 3.34Å; V643-L645 PolarHBondContact O-N 3.43Å; L645-K647 VanDerWaalsContact C-N 3.35Å; L645-K647 PolarHBondContact O-N 2.97Å; L645-T648 WeakPolarHBondContact CA-OG1 3.32Å; L645-T648 PolarHBondContact O-N 3.11Å; L645-T648 PolarHBondContact O-OG1 3.09Å; L645-E649 PolarHBondContact O-N 3.41Å; L645-E649 VanDerWaalsContact O-N 3.15Å
646L85.3Confident84.4Confident98 Ų98110.5 Ų110.551%0.51354%0.536SS..Hα-helixtrans-65.9-36.3177.5-74170.7000112.4K642 V643 E649 N650K642-L646 WeakPolarHBondContact O-CG 3.47Å; K642-L646 PolarHBondContact O-N 3.32Å; K642-L646 VanDerWaalsContact O-N 3.08Å; V643-L646 PolarHBondContact O-N 3.26Å; L646-E649 PolarHBondContact O-N 3.45Å; L646-N650 WeakPolarHBondContact O-CB 3.3Å; L646-N650 PolarHBondContact O-N 3.38Å
647K85.7Confident84Confident116 Ų116108.2 Ų108.250%0.50453%0.528SS..Hα-helixtrans-60.7-45.8173.8-80.5179.7178.7176.30111.1V643 N644 L645 E649 N650 Y651V643-K647 PolarHBondContact O-N 2.83Å; N644-K647 PolarHBondContact O-N 3.03Å; L645-K647 VanDerWaalsContact C-N 3.35Å; L645-K647 PolarHBondContact O-N 2.97Å; K647-E649 VanDerWaalsContact C-N 3.34Å; K647-E649 PolarHBondContact O-N 3.06Å; K647-N650 PolarHBondContact O-N 3.07Å; K647-Y651 HydrophobicContact CB-CE2 4.31Å; K647-Y651 WeakPolarHBondContact O-CD2 3.29Å; K647-Y651 PolarHBondContact O-N 3.48Å
648T83.4Confident83.6Confident84 Ų84105.9 Ų105.952%0.51553%0.529SS..Hα-helixtrans-61-40.7177.843.90000112.8N644 L645 Y651 E652N644-T648 PolarHBondContact O-N 3.15Å; N644-T648 PolarHBondContact O-OG1 3.14Å; L645-T648 WeakPolarHBondContact CA-OG1 3.32Å; L645-T648 PolarHBondContact O-N 3.11Å; L645-T648 PolarHBondContact O-OG1 3.09Å; T648-Y651 PolarHBondContact O-N 3.41Å; T648-E652 PolarHBondContact O-N 2.67Å
649E85.1Confident83Confident111 Ų111103 Ų10352%0.51952%0.524SS..Hα-helixtrans-66.7-37.4177.6-165.1175-165.600112.2L645 L646 K647 E652 L653L645-E649 PolarHBondContact O-N 3.41Å; L645-E649 VanDerWaalsContact O-N 3.15Å; L646-E649 PolarHBondContact O-N 3.45Å; K647-E649 VanDerWaalsContact C-N 3.34Å; K647-E649 PolarHBondContact O-N 3.06Å; E649-E652 PolarHBondContact O-N 2.96Å; E649-L653 PolarHBondContact O-N 2.92Å
650N85Confident82.1Confident94 Ų9499.7 Ų99.750%0.50352%0.517SS..Hα-helixtrans-69.2-35.2177.7-153.8-3.3000112.2L646 K647 E652 L653 N654L646-N650 WeakPolarHBondContact O-CB 3.3Å; L646-N650 PolarHBondContact O-N 3.38Å; K647-N650 PolarHBondContact O-N 3.07Å; N650-E652 VanDerWaalsContact C-N 3.34Å; N650-L653 PolarHBondContact O-N 3.25Å; N650-N654 WeakPolarHBondContact O-CB 3.48Å; N650-N654 PolarHBondContact O-N 3.27Å; N650-N654 PolarHBondContact O-ND2 3.4Å
651Y85.2Confident81Confident173 Ų173102.4 Ų102.468%0.67853%0.53SS*.Hα-helixtrans-62.3-39.3171.6-73.1-60.3000112K647 T648 A655K647-Y651 HydrophobicContact CB-CE2 4.31Å; K647-Y651 WeakPolarHBondContact O-CD2 3.29Å; K647-Y651 PolarHBondContact O-N 3.48Å; T648-Y651 PolarHBondContact O-N 3.41Å; Y651-A655 PolarHBondContact O-N 2.8Å
652E82.2Confident80.2Confident128 Ų128101.7 Ų101.760%0.59853%0.534SS*.Hα-helixtrans-67.3-41174.8-78.5-168.2161.300113.2T648 E649 N650 A655 K656T648-E652 PolarHBondContact O-N 2.67Å; E649-E652 PolarHBondContact O-N 2.96Å; N650-E652 VanDerWaalsContact C-N 3.34Å; E652-A655 PolarHBondContact O-N 3.4Å; E652-K656 PolarHBondContact O-N 3.42Å
653L81.6Confident78.4Confident89 Ų8999.9 Ų99.947%0.46654%0.537SS..Hα-helixtrans-63.6-44.3177.2-94.1154.7000112E649 N650 A655 K656 I657E649-L653 PolarHBondContact O-N 2.92Å; N650-L653 PolarHBondContact O-N 3.25Å; L653-A655 VanDerWaalsContact C-N 3.31Å; L653-A655 PolarHBondContact O-N 3.36Å; L653-K656 WeakPolarHBondContact O-CB 3.34Å; L653-K656 PolarHBondContact O-N 3.25Å; L653-K656 VanDerWaalsContact O-N 3.13Å; L653-I657 WeakPolarHBondContact O-CG1 3.17Å; L653-I657 PolarHBondContact O-N 3.5Å
654N81.8Confident76.6Confident88 Ų88105.9 Ų105.947%0.47156%0.559SS.*Hα-helixtrans-63-36.9176.8-82.5-31.7000112.4N650 K656 I657 A658N650-N654 WeakPolarHBondContact O-CB 3.48Å; N650-N654 PolarHBondContact O-N 3.27Å; N650-N654 PolarHBondContact O-ND2 3.4Å; N654-K656 VanDerWaalsContact C-N 3.32Å; N654-K656 PolarHBondContact O-N 2.97Å; N654-I657 PolarHBondContact O-N 3.02Å; N654-A658 WeakPolarHBondContact O-CB 3.48Å; N654-A658 PolarHBondContact O-N 3.45Å
655A77.4Confident74.4Confident65 Ų65106.1 Ų106.154%0.53758%0.579SS.*Hα-helixtrans-62.3-38.4173.600000112.3Y651 E652 L653 S659Y651-A655 PolarHBondContact O-N 2.8Å; E652-A655 PolarHBondContact O-N 3.4Å; L653-A655 VanDerWaalsContact C-N 3.31Å; L653-A655 PolarHBondContact O-N 3.36Å; A655-S659 PolarHBondContact O-N 2.87Å
656K78.2Confident71.8Confident129 Ų129104 Ų10456%0.56159%0.586SS**Hα-helixtrans-67.4-42.9175.3-70.4171.8-176.4165.70112.4E652 L653 N654 S659 I660E652-K656 PolarHBondContact O-N 3.42Å; L653-K656 WeakPolarHBondContact O-CB 3.34Å; L653-K656 PolarHBondContact O-N 3.25Å; L653-K656 VanDerWaalsContact O-N 3.13Å; N654-K656 VanDerWaalsContact C-N 3.32Å; N654-K656 PolarHBondContact O-N 2.97Å; K656-S659 WeakPolarHBondContact O-CB 3.16Å; K656-S659 PolarHBondContact O-N 2.99Å; K656-I660 PolarHBondContact O-N 3.23Å; K656-I660 VanDerWaalsContact O-N 3.12Å
657I76.7Confident69.2Low82 Ų82103 Ų10342%0.42160%0.601SS.*Hα-helixtrans-62.3-44.3177.8-69.7171.9000110.7L653 N654 S659 I660 H661L653-I657 WeakPolarHBondContact O-CG1 3.17Å; L653-I657 PolarHBondContact O-N 3.5Å; N654-I657 PolarHBondContact O-N 3.02Å; I657-S659 VanDerWaalsContact C-N 3.26Å; I657-S659 PolarHBondContact O-N 3.39Å; I657-I660 PolarHBondContact O-N 3.02Å; I657-I660 VanDerWaalsContact O-N 3.15Å; I657-H661 PolarHBondContact O-N 3.2Å
658A76.3Confident66.5Low63 Ų63105.7 Ų105.752%0.52161%0.614SS.*Hα-helixtrans-59.1-38.3175.900000112.1N654 H661 S662N654-A658 WeakPolarHBondContact O-CB 3.48Å; N654-A658 PolarHBondContact O-N 3.45Å; A658-H661 PolarHBondContact O-N 3.07Å; A658-S662 PolarHBondContact O-N 3.25Å
659S73.9Confident64.7Low74 Ų74109 Ų10952%0.51763%0.634SS.*Hα-helixtrans-63.9-42.1175.1-169.90000112.6A655 K656 I657 S662A655-S659 PolarHBondContact O-N 2.87Å; K656-S659 WeakPolarHBondContact O-CB 3.16Å; K656-S659 PolarHBondContact O-N 2.99Å; I657-S659 VanDerWaalsContact C-N 3.26Å; I657-S659 PolarHBondContact O-N 3.39Å; S659-S662 PolarHBondContact O-N 2.92Å; S659-S662 PolarHBondContact O-OG 3.49Å
660I64.4Low63.1Low106 Ų106109.9 Ų109.954%0.54464%0.636SS.*Hα-helixtrans-67-42.1179-66.8169.4000110.9K656 I657 S662 C663K656-I660 PolarHBondContact O-N 3.23Å; K656-I660 VanDerWaalsContact O-N 3.12Å; I657-I660 PolarHBondContact O-N 3.02Å; I657-I660 VanDerWaalsContact O-N 3.15Å; I660-S662 PolarHBondContact O-N 3.32Å; I660-C663 PolarHBondContact O-N 3.5Å
661H67.1Low61.4Low150 Ų150111.8 Ų111.869%0.69465%0.645SS**Hα-helixtrans-61.3-28178.2-93.5-74.6000113.1I657 A658 C663I657-H661 PolarHBondContact O-N 3.2Å; A658-H661 PolarHBondContact O-N 3.07Å; H661-C663 VanDerWaalsContact C-N 3.29Å; H661-C663 PolarHBondContact O-N 3.42Å
662S68.4Low59.6Low95 Ų95110.9 Ų110.966%0.66465%0.652SS**Hα-helixtrans-69.8-21.8175.783.40000114.1A658 S659 I660A658-S662 PolarHBondContact O-N 3.25Å; S659-S662 PolarHBondContact O-N 2.92Å; S659-S662 PolarHBondContact O-OG 3.49Å; I660-S662 PolarHBondContact O-N 3.32Å
663C50.8Low58.6Low98 Ų98110.2 Ų110.266%0.66265%0.649SS**Hα-helixtrans-90.7-14.9-171-69.50000115.1I660 H661I660-C663 PolarHBondContact O-N 3.5Å; H661-C663 VanDerWaalsContact C-N 3.29Å; H661-C663 PolarHBondContact O-N 3.42Å
664F45.4Very low57.4Low182 Ų182110.1 Ų110.180%0.79865%0.646SS**  trans-106.911.5-166.4-91.8-79000116.4G666F664-G666 PolarHBondContact O-N 2.92Å
665G39.4Very low56.1Low81 Ų81111.8 Ų111.884%0.83566%0.655SS**  trans-93.579.2-179.300000115
666G34.5Very low55.9Low77 Ų77115.6 Ų115.679%0.79466%0.659SS**  trans-173.3119.1170.100000118.7F664F664-G666 PolarHBondContact O-N 2.92Å
667G31Very low55.6Low79 Ų79113.6 Ų113.681%0.81465%0.65SS**  trans89.1102.4149.700000117.3
668H29.2Very low55.2Low171 Ų171115.4 Ų115.479%0.79266%0.658SS**  cis97.377.845.6-158.1-63.4000114.6
669V44.5Very low55Low153 Ų153120.5 Ų120.593%0.92767%0.669SS**  trans-148.587146.9-173.40000108
670K51.4Low55Low130 Ų130122.7 Ų122.757%0.56567%0.671SS**  trans-145.979.5-163.5-165-173.1-170-172.70109.7E674K670-E674 WeakPolarHBondContact CE-OE1 3.41Å
671I49.5Very low55.5Low134 Ų134120.1 Ų120.169%0.68767%0.666SS**SBendtrans-135-37.2170.2-63-175.9000111.5E674I671-E674 PolarHBondContact O-N 3.41Å
672D48.3Very low55.9Low154 Ų154118.3 Ų118.382%0.82466%0.661SS**Hα-helixtrans-78.5-24.8-179.7-68.8-29.3000114.4E674D672-E674 VanDerWaalsContact C-N 3.3Å; D672-E674 PolarHBondContact O-N 2.89Å
673E59.9Low56.5Low115 Ų115120.1 Ų120.154%0.53766%0.66SS.*Hα-helixtrans-70-26.4174-161.469.3-148.300112.4L675 K676 K677E673-L675 VanDerWaalsContact C-N 3.32Å; E673-L675 PolarHBondContact O-N 3.04Å; E673-K676 PolarHBondContact O-N 2.87Å; E673-K677 PolarHBondContact O-N 3.31Å
674E57.9Low57.8Low86 Ų86119.8 Ų119.840%0.40265%0.649SS.*Hα-helixtrans-69.3-29.5-177.6-68-73.913100111.9K670 I671 D672 K676 K677 M678K670-E674 WeakPolarHBondContact CE-OE1 3.41Å; I671-E674 PolarHBondContact O-N 3.41Å; D672-E674 VanDerWaalsContact C-N 3.3Å; D672-E674 PolarHBondContact O-N 2.89Å; E674-K676 VanDerWaalsContact C-N 3.32Å; E674-K676 PolarHBondContact O-N 3.37Å; E674-K677 PolarHBondContact O-N 3.03Å; E674-K677 IonicContact OE1-NZ 2.99Å; E674-K677 PolarHBondContact OE1-NZ 3.2Å; E674-M678 PolarHBondContact O-N 3.26Å; E674-M678 VanDerWaalsContact O-N 3.15Å
675L54.4Low59.4Low124 Ų124115.2 Ų115.265%0.64964%0.636SS**Hα-helixtrans-69.4-30.9176.4-155.385.7000112.2E673 M678E673-L675 VanDerWaalsContact C-N 3.32Å; E673-L675 PolarHBondContact O-N 3.04Å; L675-M678 HydrophobicContact CD1-CE 3.77Å; L675-M678 HydrophobicContact CG-CE 4.48Å
676K72.2Confident61.3Low144 Ų144115 Ų11563%0.62662%0.622SS**Hα-helixtrans-74-40.6175.6-164.8178.7179.1-171.60111.3E673 E674 M678 K679 E680E673-K676 PolarHBondContact O-N 2.87Å; E674-K676 VanDerWaalsContact C-N 3.32Å; E674-K676 PolarHBondContact O-N 3.37Å; K676-M678 VanDerWaalsContact C-N 3.27Å; K676-M678 PolarHBondContact O-N 3.47Å; K676-K679 PolarHBondContact O-N 2.94Å; K676-E680 PolarHBondContact O-N 3.44Å
677K71.6Confident63.5Low87 Ų87116.7 Ų116.738%0.37861%0.607SS.*Hα-helixtrans-60.3-34.8174.8-70.1-179.6-172.4172.10113.2E673 E674 K679 E680 A681E673-K677 PolarHBondContact O-N 3.31Å; E674-K677 PolarHBondContact O-N 3.03Å; E674-K677 IonicContact OE1-NZ 2.99Å; E674-K677 PolarHBondContact OE1-NZ 3.2Å; K677-K679 PolarHBondContact O-N 3.15Å; K677-E680 PolarHBondContact O-N 2.81Å; K677-A681 WeakPolarHBondContact O-CB 3.43Å; K677-A681 PolarHBondContact O-N 3.38Å
678M69.8Low65.8Low121 Ų121117.5 Ų117.560%0.59659%0.593SS**Hα-helixtrans-67.2-36.1-179.2-173.4165.336.300112.7E674 L675 K676 A681 D682E674-M678 PolarHBondContact O-N 3.26Å; E674-M678 VanDerWaalsContact O-N 3.15Å; L675-M678 HydrophobicContact CD1-CE 3.77Å; L675-M678 HydrophobicContact CG-CE 4.48Å; K676-M678 VanDerWaalsContact C-N 3.27Å; K676-M678 PolarHBondContact O-N 3.47Å; M678-A681 PolarHBondContact O-N 3.04Å; M678-D682 PolarHBondContact O-N 2.87Å
679K70.9Confident68.3Low170 Ų170116.8 Ų116.874%0.73959%0.587SS**Hα-helixtrans-69.4-33.7172.8-76.4-172.8175.9-178.50112.8K676 K677 M683K676-K679 PolarHBondContact O-N 2.94Å; K677-K679 PolarHBondContact O-N 3.15Å; K679-M683 PolarHBondContact O-N 3.2Å
680E74.1Confident70.2Confident119 Ų119113.3 Ų113.356%0.55657%0.57SS**Hα-helixtrans-72.5-35.4176.7-162.9153.4-15800111.7K676 K677 D682 M683 E684K676-E680 PolarHBondContact O-N 3.44Å; K677-E680 PolarHBondContact O-N 2.81Å; E680-D682 VanDerWaalsContact C-N 3.34Å; E680-D682 PolarHBondContact O-N 3.25Å; E680-M683 PolarHBondContact O-N 3.02Å; E680-E684 PolarHBondContact O-N 2.86Å
681A75.8Confident71.6Confident53 Ų53112.8 Ų112.844%0.43857%0.568SS.*Hα-helixtrans-62-38.5172.200000112.5K677 M678 M683 E684 V685K677-A681 WeakPolarHBondContact O-CB 3.43Å; K677-A681 PolarHBondContact O-N 3.38Å; M678-A681 PolarHBondContact O-N 3.04Å; A681-M683 PolarHBondContact O-N 3.47Å; A681-E684 PolarHBondContact O-N 3.38Å; A681-V685 WeakPolarHBondContact O-CG2 3.47Å; A681-V685 PolarHBondContact O-N 2.71Å
682D75.4Confident73.2Confident112 Ų112110.1 Ų110.160%0.59956%0.557SS**Hα-helixtrans-68.3-34-179.8-155.147.5000112.8M678 E680 S686M678-D682 PolarHBondContact O-N 2.87Å; E680-D682 VanDerWaalsContact C-N 3.34Å; E680-D682 PolarHBondContact O-N 3.25Å; D682-S686 PolarHBondContact O-N 3.29Å; D682-S686 VanDerWaalsContact O-N 3.12Å; D682-S686 PolarHBondContact O-OG 3.4Å
683M80.9Confident75Confident132 Ų132107 Ų10765%0.6554%0.544SS*.Hα-helixtrans-64.9-42.8169.5-85.8-162.6-48.400112.2K679 E680 A681 S686 K687K679-M683 PolarHBondContact O-N 3.2Å; E680-M683 PolarHBondContact O-N 3.02Å; A681-M683 PolarHBondContact O-N 3.47Å; M683-S686 PolarHBondContact O-N 2.75Å; M683-K687 PolarHBondContact O-N 2.92Å
684E78.7Confident76.2Confident91 Ų91106.4 Ų106.443%0.42554%0.541SS..Hα-helixtrans-68.5-34.5178.3-82-62.314400112E680 A681 S686 K687 L688E680-E684 PolarHBondContact O-N 2.86Å; A681-E684 PolarHBondContact O-N 3.38Å; E684-S686 PolarHBondContact O-N 3.33Å; E684-K687 PolarHBondContact O-N 3.05Å; E684-K687 WeakPolarHBondContact OE1-CD 3.41Å; E684-K687 IonicContact OE1-NZ 2.74Å; E684-K687 PolarHBondContact OE1-NZ 2.9Å; E684-K687 VanDerWaalsContact OE1-NZ 3.11Å; E684-L688 WeakPolarHBondContact O-CB 3.18Å; E684-L688 WeakPolarHBondContact O-CG 3.25Å; E684-L688 PolarHBondContact O-N 3.19Å
685V78.1Confident77.2Confident86 Ų86106.8 Ų106.852%0.52155%0.549SS..Hα-helixtrans-61.3-44171.4171.20000110.9A681 K687 L688 K689A681-V685 WeakPolarHBondContact O-CG2 3.47Å; A681-V685 PolarHBondContact O-N 2.71Å; V685-K687 VanDerWaalsContact C-N 3.32Å; V685-K687 PolarHBondContact O-N 3.24Å; V685-L688 PolarHBondContact O-N 2.8Å; V685-K689 WeakPolarHBondContact O-CB 3.48Å; V685-K689 PolarHBondContact O-N 3.08Å
686S79.5Confident78.7Confident77 Ų77106.1 Ų106.154%0.53854%0.542SS..Hα-helixtrans-62.8-38.8177.4-64.50000112.4D682 M683 E684 K689 S690D682-S686 PolarHBondContact O-N 3.29Å; D682-S686 VanDerWaalsContact O-N 3.12Å; D682-S686 PolarHBondContact O-OG 3.4Å; M683-S686 PolarHBondContact O-N 2.75Å; E684-S686 PolarHBondContact O-N 3.33Å; S686-K689 PolarHBondContact O-N 2.98Å; S686-S690 PolarHBondContact O-N 3.38Å; S686-S690 VanDerWaalsContact O-N 3.17Å
687K81Confident79.5Confident113 Ų113103.3 Ų103.349%0.49153%0.534SS..Hα-helixtrans-70.4-39.8177.1-163.5-178.8-178.3-176.50112.4M683 E684 V685 K689 S690 K691M683-K687 PolarHBondContact O-N 2.92Å; E684-K687 PolarHBondContact O-N 3.05Å; E684-K687 WeakPolarHBondContact OE1-CD 3.41Å; E684-K687 IonicContact OE1-NZ 2.74Å; E684-K687 PolarHBondContact OE1-NZ 2.9Å; E684-K687 VanDerWaalsContact OE1-NZ 3.11Å; V685-K687 VanDerWaalsContact C-N 3.32Å; V685-K687 PolarHBondContact O-N 3.24Å; K687-K689 VanDerWaalsContact C-N 3.35Å; K687-S690 PolarHBondContact O-N 3.19Å; K687-K691 PolarHBondContact O-N 3.12Å; K687-K691 VanDerWaalsContact O-N 3.13Å
688L78Confident80.1Confident96 Ų96104.9 Ų104.950%0.50354%0.541SS..Hα-helixtrans-63.2-41.7172.6-79.5164.7000111E684 V685 S690 K691 V692E684-L688 WeakPolarHBondContact O-CB 3.18Å; E684-L688 WeakPolarHBondContact O-CG 3.25Å; E684-L688 PolarHBondContact O-N 3.19Å; V685-L688 PolarHBondContact O-N 2.8Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 3.49Å; L688-K691 WeakPolarHBondContact O-CB 3.44Å; L688-K691 PolarHBondContact O-N 3.39Å; L688-K691 VanDerWaalsContact O-N 3.07Å; L688-V692 WeakPolarHBondContact O-CG2 3.42Å; L688-V692 PolarHBondContact O-N 3.46Å
689K82.9Confident80.9Confident155 Ų155106.2 Ų106.267%0.67454%0.54SS*.Hα-helixtrans-61.2-40.7177.5-151.8174.3-172.5179.30112.1V685 S686 K687 V692 V693V685-K689 WeakPolarHBondContact O-CB 3.48Å; V685-K689 PolarHBondContact O-N 3.08Å; S686-K689 PolarHBondContact O-N 2.98Å; K687-K689 VanDerWaalsContact C-N 3.35Å; K689-V692 PolarHBondContact O-N 3.5Å; K689-V693 WeakPolarHBondContact O-CG2 3.33Å; K689-V693 PolarHBondContact O-N 3.41Å
690S83.7Confident81.7Confident81 Ų81102.5 Ų102.557%0.56653%0.529SS*.Hα-helixtrans-62.5-39.9172.2-178.90000112.8S686 K687 L688 E694S686-S690 PolarHBondContact O-N 3.38Å; S686-S690 VanDerWaalsContact O-N 3.17Å; K687-S690 PolarHBondContact O-N 3.19Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 3.49Å; S690-E694 PolarHBondContact O-N 3.37Å
691K81.8Confident82.4Confident119 Ų119102.6 Ų102.652%0.51753%0.527SS..Hα-helixtrans-68.5-37.5177.1-80.9-179.4175.5179.10112.5K687 L688 V693 E694 V695K687-K691 PolarHBondContact O-N 3.12Å; K687-K691 VanDerWaalsContact O-N 3.13Å; L688-K691 WeakPolarHBondContact O-CB 3.44Å; L688-K691 PolarHBondContact O-N 3.39Å; L688-K691 VanDerWaalsContact O-N 3.07Å; K691-V693 VanDerWaalsContact C-N 3.35Å; K691-E694 PolarHBondContact O-N 3.36Å; K691-V695 VanDerWaalsContact O-CG2 3.3Å; K691-V695 WeakPolarHBondContact O-CG2 3.42Å; K691-V695 PolarHBondContact O-N 2.92Å
692V82.7Confident82.8Confident78 Ų78105.4 Ų105.447%0.47353%0.534SS..Hα-helixtrans-60.4-46.7176.4170.60000110.1L688 K689 E694 V695 E696L688-V692 WeakPolarHBondContact O-CG2 3.42Å; L688-V692 PolarHBondContact O-N 3.46Å; K689-V692 PolarHBondContact O-N 3.5Å; V692-E694 VanDerWaalsContact C-N 3.32Å; V692-E694 PolarHBondContact O-N 3.01Å; V692-V695 PolarHBondContact O-N 3.33Å; V692-V695 VanDerWaalsContact O-N 3.16Å; V692-E696 HydrophobicContact CG1-CG 4.42Å; V692-E696 WeakPolarHBondContact O-CG 3.39Å; V692-E696 PolarHBondContact O-N 3.44Å
693V86.8Confident83.4Confident89 Ų89103 Ų10354%0.53952%0.521SS..Hα-helixtrans-61-39.3176.21750000111.9K689 K691 E696 D697K689-V693 WeakPolarHBondContact O-CG2 3.33Å; K689-V693 PolarHBondContact O-N 3.41Å; K691-V693 VanDerWaalsContact C-N 3.35Å; V693-E696 PolarHBondContact O-N 3.17Å; V693-D697 PolarHBondContact O-N 3.18Å
694E84.4Confident83.8Confident101 Ų101101.5 Ų101.547%0.47251%0.514SS..Hα-helixtrans-67-37176.3-163.6-165.2153.800112.5S690 K691 V692 K698S690-E694 PolarHBondContact O-N 3.37Å; K691-E694 PolarHBondContact O-N 3.36Å; V692-E694 VanDerWaalsContact C-N 3.32Å; V692-E694 PolarHBondContact O-N 3.01Å; E694-K698 WeakPolarHBondContact O-CG 3.15Å; E694-K698 PolarHBondContact O-N 3.29Å; E694-K698 VanDerWaalsContact O-N 3.08Å; E694-K698 VanDerWaalsContact OE1-CE 3.29Å; E694-K698 WeakPolarHBondContact OE1-CE 3.45Å; E694-K698 IonicContact OE1-NZ 3.81Å; E694-K698 PolarHBondContact OE1-NZ 3.45Å
695V78.8Confident84.3Confident95 Ų95101.8 Ų101.858%0.57652%0.518SS*.Hα-helixtrans-70.2-40.3176.7171.20000110.9K691 V692 K698 Y699K691-V695 VanDerWaalsContact O-CG2 3.3Å; K691-V695 WeakPolarHBondContact O-CG2 3.42Å; K691-V695 PolarHBondContact O-N 2.92Å; V692-V695 PolarHBondContact O-N 3.33Å; V692-V695 VanDerWaalsContact O-N 3.16Å; V695-K698 PolarHBondContact O-N 3.2Å; V695-Y699 WeakPolarHBondContact O-CB 3.33Å; V695-Y699 PolarHBondContact O-N 3.29Å
696E86.6Confident84.8Confident109 Ų109101.5 Ų101.551%0.50951%0.514SS..Hα-helixtrans-60-47.4173.9-73.8172.9162.800111.1V692 V693 K698 Y699 D700V692-E696 HydrophobicContact CG1-CG 4.42Å; V692-E696 WeakPolarHBondContact O-CG 3.39Å; V692-E696 PolarHBondContact O-N 3.44Å; V693-E696 PolarHBondContact O-N 3.17Å; E696-K698 VanDerWaalsContact C-N 3.31Å; E696-K698 PolarHBondContact O-N 2.94Å; E696-Y699 WeakPolarHBondContact O-CB 3.45Å; E696-Y699 PolarHBondContact O-N 2.93Å; E696-Y699 VanDerWaalsContact O-N 3.11Å; E696-D700 PolarHBondContact O-N 3.12Å
697D87.2Confident85.2Confident86 Ų86104.6 Ų104.646%0.4652%0.518SS..Hα-helixtrans-65-32.8178.2-165.453000112.5V693 K701V693-D697 PolarHBondContact O-N 3.18Å; D697-K701 WeakPolarHBondContact O-CD 3.45Å; D697-K701 VanDerWaalsContact O-CG 3.3Å; D697-K701 WeakPolarHBondContact O-CG 3.35Å; D697-K701 PolarHBondContact O-N 2.83Å; D697-K701 WeakPolarHBondContact OD2-CE 3.45Å; D697-K701 IonicContact OD2-NZ 3.91Å; D697-K701 PolarHBondContact OD2-NZ 3.33Å
698K85.1Confident85.7Confident119 Ų119104 Ų10452%0.51752%0.52SS..Hα-helixtrans-70.5-39.3171.8-76.9176.6-172.5166.70112.2E694 V695 E696 K701 L702E694-K698 WeakPolarHBondContact O-CG 3.15Å; E694-K698 PolarHBondContact O-N 3.29Å; E694-K698 VanDerWaalsContact O-N 3.08Å; E694-K698 VanDerWaalsContact OE1-CE 3.29Å; E694-K698 WeakPolarHBondContact OE1-CE 3.45Å; E694-K698 IonicContact OE1-NZ 3.81Å; E694-K698 PolarHBondContact OE1-NZ 3.45Å; V695-K698 PolarHBondContact O-N 3.2Å; E696-K698 VanDerWaalsContact C-N 3.31Å; E696-K698 PolarHBondContact O-N 2.94Å; K698-K701 PolarHBondContact O-N 3.05Å; K698-L702 PolarHBondContact O-N 3.23Å
699Y85.7Confident86Confident149 Ų149104.6 Ų104.658%0.58452%0.523SS*.Hα-helixtrans-66.1-42.7179.1-175.5-105.8000111.3V695 E696 K701 L702 I703V695-Y699 WeakPolarHBondContact O-CB 3.33Å; V695-Y699 PolarHBondContact O-N 3.29Å; E696-Y699 WeakPolarHBondContact O-CB 3.45Å; E696-Y699 PolarHBondContact O-N 2.93Å; E696-Y699 VanDerWaalsContact O-N 3.11Å; Y699-K701 PolarHBondContact O-N 2.97Å; Y699-L702 WeakPolarHBondContact O-CB 3.4Å; Y699-L702 PolarHBondContact O-N 3.42Å; Y699-L702 VanDerWaalsContact O-N 3.12Å; Y699-I703 HydrophobicContact CD1-CD1 3.7Å; Y699-I703 HydrophobicContact CD1-CG1 4.46Å; Y699-I703 HydrophobicContact CE1-CD1 3.32Å; Y699-I703 HydrophobicContact CE1-CG1 4.2Å; Y699-I703 WeakPolarHBondContact O-CG1 3.29Å; Y699-I703 PolarHBondContact O-N 2.99Å
700D88.7Confident86.3Confident92 Ų92105.2 Ų105.249%0.49252%0.521SS..Hα-helixtrans-62.9-41.5176-76.6-19.2000112.1E696 L702 I703 I704E696-D700 PolarHBondContact O-N 3.12Å; D700-L702 VanDerWaalsContact C-N 3.31Å; D700-L702 PolarHBondContact O-N 3.12Å; D700-I703 PolarHBondContact O-N 2.93Å; D700-I704 WeakPolarHBondContact O-CG1 3.49Å; D700-I704 PolarHBondContact O-N 3.42Å; D700-I704 VanDerWaalsContact O-N 3.12Å
701K89Confident86.5Confident121 Ų121103.7 Ų103.753%0.52651%0.514SS..Hα-helixtrans-61-39.4172.3-73.1169-167160.50112.2D697 K698 Y699 I704 L705D697-K701 WeakPolarHBondContact O-CD 3.45Å; D697-K701 VanDerWaalsContact O-CG 3.3Å; D697-K701 WeakPolarHBondContact O-CG 3.35Å; D697-K701 PolarHBondContact O-N 2.83Å; D697-K701 WeakPolarHBondContact OD2-CE 3.45Å; D697-K701 IonicContact OD2-NZ 3.91Å; D697-K701 PolarHBondContact OD2-NZ 3.33Å; K698-K701 PolarHBondContact O-N 3.05Å; Y699-K701 PolarHBondContact O-N 2.97Å; K701-I704 PolarHBondContact O-N 3.05Å; K701-L705 WeakPolarHBondContact O-CB 3.4Å; K701-L705 PolarHBondContact O-N 2.94Å
702L84.9Confident86.8Confident112 Ų112104.1 Ų104.159%0.58652%0.517SS*.Hα-helixtrans-67.6-37.3178.6-149.187.9000111.9K698 Y699 D700 L705 N706K698-L702 PolarHBondContact O-N 3.23Å; Y699-L702 WeakPolarHBondContact O-CB 3.4Å; Y699-L702 PolarHBondContact O-N 3.42Å; Y699-L702 VanDerWaalsContact O-N 3.12Å; D700-L702 VanDerWaalsContact C-N 3.31Å; D700-L702 PolarHBondContact O-N 3.12Å; L702-L705 PolarHBondContact O-N 3.31Å; L702-N706 WeakPolarHBondContact O-CB 3.26Å; L702-N706 PolarHBondContact O-N 2.88Å
703I87.8Confident86.9Confident62 Ų62105 Ų10532%0.31852%0.519SS..Hα-helixtrans-63.1-44.8175.2-72.8171.8000110.9Y699 D700 N706 K707Y699-I703 HydrophobicContact CD1-CD1 3.7Å; Y699-I703 HydrophobicContact CD1-CG1 4.46Å; Y699-I703 HydrophobicContact CE1-CD1 3.32Å; Y699-I703 HydrophobicContact CE1-CG1 4.2Å; Y699-I703 WeakPolarHBondContact O-CG1 3.29Å; Y699-I703 PolarHBondContact O-N 2.99Å; D700-I703 PolarHBondContact O-N 2.93Å; I703-N706 PolarHBondContact O-N 2.71Å; I703-K707 PolarHBondContact O-N 3.42Å; I703-K707 VanDerWaalsContact O-N 3.1Å
704I88.6Confident87Confident100 Ų100105.4 Ų105.451%0.51352%0.518SS..Hα-helixtrans-62.6-49.5177.9-65.6169.2000109.8D700 K701 N706 K707 D708D700-I704 WeakPolarHBondContact O-CG1 3.49Å; D700-I704 PolarHBondContact O-N 3.42Å; D700-I704 VanDerWaalsContact O-N 3.12Å; K701-I704 PolarHBondContact O-N 3.05Å; I704-N706 VanDerWaalsContact C-N 3.3Å; I704-N706 PolarHBondContact O-N 2.9Å; I704-K707 WeakPolarHBondContact O-CB 3.39Å; I704-K707 PolarHBondContact O-N 2.91Å; I704-K707 VanDerWaalsContact O-N 3.08Å; I704-D708 PolarHBondContact O-N 3.47Å
705L89.6Confident87.2Confident97 Ų97105.6 Ų105.651%0.50852%0.523SS..Hα-helixtrans-58.7-39.3178.5-17666.5000112.8K701 L702 D708 L709K701-L705 WeakPolarHBondContact O-CB 3.4Å; K701-L705 PolarHBondContact O-N 2.94Å; L702-L705 PolarHBondContact O-N 3.31Å; L705-D708 PolarHBondContact O-N 2.92Å; L705-L709 HydrophobicContact CG-CD1 4.09Å; L705-L709 WeakPolarHBondContact O-CB 3.47Å; L705-L709 WeakPolarHBondContact O-CG 3.43Å; L705-L709 PolarHBondContact O-N 3.32Å
706N87.8Confident87.4Confident80 Ų80106.6 Ų106.643%0.42852%0.521SS..Hα-helixtrans-67.5-37.3177.6-161.4-47.8000111.8L702 I703 I704 R710L702-N706 WeakPolarHBondContact O-CB 3.26Å; L702-N706 PolarHBondContact O-N 2.88Å; I703-N706 PolarHBondContact O-N 2.71Å; I704-N706 VanDerWaalsContact C-N 3.3Å; I704-N706 PolarHBondContact O-N 2.9Å; N706-R710 WeakPolarHBondContact O-CB 3.42Å; N706-R710 WeakPolarHBondContact O-CG 3.47Å; N706-R710 PolarHBondContact O-N 3.3Å; N706-R710 PolarHBondContact OD1-NE 3.43Å
707K89Confident87.5Confident143 Ų143104.8 Ų104.862%0.62251%0.514SS*.Hα-helixtrans-63.6-44.1173.8-76.8178.1179.5173.50111.4I703 I704 R710 A711I703-K707 PolarHBondContact O-N 3.42Å; I703-K707 VanDerWaalsContact O-N 3.1Å; I704-K707 WeakPolarHBondContact O-CB 3.39Å; I704-K707 PolarHBondContact O-N 2.91Å; I704-K707 VanDerWaalsContact O-N 3.08Å; K707-R710 PolarHBondContact O-N 3.23Å; K707-A711 PolarHBondContact O-N 2.99Å
708D90.2Very high87.6Confident99 Ų99105 Ų10553%0.52952%0.515SS..Hα-helixtrans-65.5-44.2179-64.4-17.2000111.4I704 L705 R710 A711 E712I704-D708 PolarHBondContact O-N 3.47Å; L705-D708 PolarHBondContact O-N 2.92Å; D708-R710 VanDerWaalsContact C-N 3.32Å; D708-R710 PolarHBondContact O-N 3.17Å; D708-A711 WeakPolarHBondContact O-CB 3.34Å; D708-A711 PolarHBondContact O-N 2.94Å; D708-E712 PolarHBondContact O-N 3.49Å
709L85.4Confident87.5Confident109 Ų109101.4 Ų101.457%0.57151%0.507SS*.Hα-helixtrans-62.4-36.1175.6-79.1167.2000113.1L705 L713L705-L709 HydrophobicContact CG-CD1 4.09Å; L705-L709 WeakPolarHBondContact O-CB 3.47Å; L705-L709 WeakPolarHBondContact O-CG 3.43Å; L705-L709 PolarHBondContact O-N 3.32Å; L709-L713 WeakPolarHBondContact O-CB 3.49Å; L709-L713 PolarHBondContact O-N 3.06Å
710R88.7Confident87.4Confident168 Ų16898 Ų9863%0.63450%0.499SS*.Hα-helixtrans-69.4-35.7175-77.5-177.9-168.4-159-1.7112.4N706 K707 D708 N714N706-R710 WeakPolarHBondContact O-CB 3.42Å; N706-R710 WeakPolarHBondContact O-CG 3.47Å; N706-R710 PolarHBondContact O-N 3.3Å; N706-R710 PolarHBondContact OD1-NE 3.43Å; K707-R710 PolarHBondContact O-N 3.23Å; D708-R710 VanDerWaalsContact C-N 3.32Å; D708-R710 PolarHBondContact O-N 3.17Å; R710-N714 PolarHBondContact O-N 2.68Å; R710-N714 VanDerWaalsContact O-N 3.14Å
711A88.5Confident87.3Confident50 Ų5099 Ų9941%0.41350%0.499SS..Hα-helixtrans-64.4-49.5174.600000110.5K707 D708 L713 N714 D715K707-A711 PolarHBondContact O-N 2.99Å; D708-A711 WeakPolarHBondContact O-CB 3.34Å; D708-A711 PolarHBondContact O-N 2.94Å; A711-L713 VanDerWaalsContact C-N 3.34Å; A711-L713 PolarHBondContact O-N 3.25Å; A711-N714 PolarHBondContact O-N 3.42Å; A711-N714 VanDerWaalsContact O-N 3.12Å; A711-D715 PolarHBondContact O-N 3.4Å
712E87Confident87.1Confident127 Ų12796.3 Ų96.359%0.59350%0.5SS*.Hα-helixtrans-59.1-42.5177.6-172.565.2-147.900112.4D708 N714 D715 Q716D708-E712 PolarHBondContact O-N 3.49Å; E712-N714 VanDerWaalsContact C-N 3.34Å; E712-N714 PolarHBondContact O-N 3.2Å; E712-D715 PolarHBondContact O-N 2.99Å; E712-Q716 WeakPolarHBondContact O-CB 3.48Å; E712-Q716 PolarHBondContact O-N 3.3Å
713L86.1Confident86.9Confident97 Ų9798 Ų9851%0.50850%0.503SS..Hα-helixtrans-63.3-39.5177.3-176.864.9000112L709 A711 Q716 I717L709-L713 WeakPolarHBondContact O-CB 3.49Å; L709-L713 PolarHBondContact O-N 3.06Å; A711-L713 VanDerWaalsContact C-N 3.34Å; A711-L713 PolarHBondContact O-N 3.25Å; L713-Q716 PolarHBondContact O-N 3.09Å; L713-I717 HydrophobicContact CG-CD1 4.14Å; L713-I717 VanDerWaalsContact O-CG1 3.25Å; L713-I717 WeakPolarHBondContact O-CG1 3.24Å; L713-I717 PolarHBondContact O-N 3.19Å
714N88.4Confident86.7Confident98 Ų98102.7 Ų102.752%0.52452%0.516SS..Hα-helixtrans-67.4-42.9177-85.1-16000111.7R710 A711 E712 Q716 I717 D718R710-N714 PolarHBondContact O-N 2.68Å; R710-N714 VanDerWaalsContact O-N 3.14Å; A711-N714 PolarHBondContact O-N 3.42Å; A711-N714 VanDerWaalsContact O-N 3.12Å; E712-N714 VanDerWaalsContact C-N 3.34Å; E712-N714 PolarHBondContact O-N 3.2Å; N714-Q716 VanDerWaalsContact C-N 3.29Å; N714-Q716 PolarHBondContact O-N 2.96Å; N714-I717 PolarHBondContact O-N 3.36Å; N714-D718 PolarHBondContact O-N 2.98Å
715D88.2Confident86.5Confident105 Ų105100.7 Ų100.756%0.56152%0.515SS*.Hα-helixtrans-61-40.3176.5-70.4-15.6000111.2A711 E712 D718 A719A711-D715 PolarHBondContact O-N 3.4Å; E712-D715 PolarHBondContact O-N 2.99Å; D715-D718 PolarHBondContact O-N 3.39Å; D715-A719 WeakPolarHBondContact O-CB 3.35Å; D715-A719 PolarHBondContact O-N 2.97Å
716Q84Confident86.3Confident116 Ų11699.4 Ų99.454%0.54251%0.514SS..Hα-helixtrans-68.1-35.5176.2-162.9177.124.700112.9E712 L713 N714 N720E712-Q716 WeakPolarHBondContact O-CB 3.48Å; E712-Q716 PolarHBondContact O-N 3.3Å; L713-Q716 PolarHBondContact O-N 3.09Å; N714-Q716 VanDerWaalsContact C-N 3.29Å; N714-Q716 PolarHBondContact O-N 2.96Å; Q716-N720 WeakPolarHBondContact O-CB 3.44Å; Q716-N720 PolarHBondContact O-N 2.91Å; Q716-N720 PolarHBondContact O-ND2 3.01Å
717I87.3Confident85.8Confident71 Ų7198.2 Ų98.236%0.36452%0.516SS..Hα-helixtrans-64.9-43.5174.8-73.9166.4000110.4L713 N714 N720 K721L713-I717 HydrophobicContact CG-CD1 4.14Å; L713-I717 VanDerWaalsContact O-CG1 3.25Å; L713-I717 WeakPolarHBondContact O-CG1 3.24Å; L713-I717 PolarHBondContact O-N 3.19Å; N714-I717 PolarHBondContact O-N 3.36Å; I717-N720 PolarHBondContact O-N 3.09Å; I717-K721 WeakPolarHBondContact O-CG 3.43Å; I717-K721 PolarHBondContact O-N 3.48Å
718D88.8Confident85.6Confident89 Ų8997.4 Ų97.448%0.47651%0.514SS..Hα-helixtrans-72.6-36.8-178.2-72.9-20000112.3N714 D715 N720 K721 A722N714-D718 PolarHBondContact O-N 2.98Å; D715-D718 PolarHBondContact O-N 3.39Å; D718-N720 PolarHBondContact O-N 3.42Å; D718-K721 PolarHBondContact O-N 2.84Å; D718-K721 IonicContact OD1-NZ 2.73Å; D718-K721 PolarHBondContact OD1-NZ 3.16Å; D718-A722 PolarHBondContact O-N 3.25Å; D718-A722 VanDerWaalsContact O-N 3.07Å
719A84.4Confident85.4Confident44 Ų4498.3 Ų98.336%0.36452%0.515SS..Hα-helixtrans-58.9-4616900000111.8D715 K721 A722 F723D715-A719 WeakPolarHBondContact O-CB 3.35Å; D715-A719 PolarHBondContact O-N 2.97Å; A719-K721 VanDerWaalsContact C-N 3.31Å; A719-K721 PolarHBondContact O-N 2.91Å; A719-A722 PolarHBondContact O-N 3.19Å; A719-F723 HydrophobicContact CB-CE2 4.47Å; A719-F723 WeakPolarHBondContact O-CD2 3.39Å; A719-F723 PolarHBondContact O-N 3.14Å
720N82.5Confident85.2Confident77 Ų7797.2 Ų97.241%0.41251%0.507SS..Hα-helixtrans-64.7-30.6178.1-82.8-43.3000113.7Q716 I717 D718 R724Q716-N720 WeakPolarHBondContact O-CB 3.44Å; Q716-N720 PolarHBondContact O-N 2.91Å; Q716-N720 PolarHBondContact O-ND2 3.01Å; I717-N720 PolarHBondContact O-N 3.09Å; D718-N720 PolarHBondContact O-N 3.42Å; N720-R724 PolarHBondContact O-N 3.34Å; N720-R724 VanDerWaalsContact O-N 3.17Å
721K87.7Confident84.8Confident114 Ų11492.7 Ų92.750%0.49650%0.498SS..Hα-helixtrans-68.7-43.4172-72.8174-165.51520111.1I717 D718 A719 F723 R724 A725I717-K721 WeakPolarHBondContact O-CG 3.43Å; I717-K721 PolarHBondContact O-N 3.48Å; D718-K721 PolarHBondContact O-N 2.84Å; D718-K721 IonicContact OD1-NZ 2.73Å; D718-K721 PolarHBondContact OD1-NZ 3.16Å; A719-K721 VanDerWaalsContact C-N 3.31Å; A719-K721 PolarHBondContact O-N 2.91Å; K721-F723 PolarHBondContact O-N 3.17Å; K721-R724 PolarHBondContact O-N 3.5Å; K721-A725 PolarHBondContact O-N 2.98Å
722A85Confident84.7Confident65 Ų6594.6 Ų94.654%0.53750%0.501SS..Hα-helixtrans-61.9-42.217700000112D718 A719 A725 S726D718-A722 PolarHBondContact O-N 3.25Å; D718-A722 VanDerWaalsContact O-N 3.07Å; A719-A722 PolarHBondContact O-N 3.19Å; A722-A725 PolarHBondContact O-N 3.21Å; A722-S726 PolarHBondContact O-N 3.4Å; A722-S726 VanDerWaalsContact O-N 3.09Å
723F79.6Confident84.6Confident146 Ų14694.9 Ų94.964%0.6450%0.497SS*.Hα-helixtrans-62.2-42.8174.6-77.6-64000112.9A719 K721 S726 A727A719-F723 HydrophobicContact CB-CE2 4.47Å; A719-F723 WeakPolarHBondContact O-CD2 3.39Å; A719-F723 PolarHBondContact O-N 3.14Å; K721-F723 PolarHBondContact O-N 3.17Å; F723-S726 PolarHBondContact O-N 2.77Å; F723-A727 WeakPolarHBondContact O-CB 3.27Å; F723-A727 PolarHBondContact O-N 3.11Å
724R83.2Confident84.4Confident161 Ų16195.2 Ų95.261%0.60850%0.499SS*.Hα-helixtrans-62.4-45.6177.3-91.2-174.8-87-174.1-7.9112.4N720 K721 S726 A727 E728N720-R724 PolarHBondContact O-N 3.34Å; N720-R724 VanDerWaalsContact O-N 3.17Å; K721-R724 PolarHBondContact O-N 3.5Å; R724-S726 PolarHBondContact O-N 3.14Å; R724-A727 PolarHBondContact O-N 3.4Å; R724-E728 WeakPolarHBondContact O-CG 3.37Å; R724-E728 PolarHBondContact O-N 3.36Å
725A85.1Confident84.2Confident58 Ų5897 Ų9748%0.47950%0.502SS..Hα-helixtrans-60.3-44.1177.600000112K721 A722 E728 E729K721-A725 PolarHBondContact O-N 2.98Å; A722-A725 PolarHBondContact O-N 3.21Å; A725-E728 PolarHBondContact O-N 2.67Å; A725-E729 PolarHBondContact O-N 2.95Å; A725-E729 VanDerWaalsContact O-N 3.15Å
726S85.6Confident84.1Confident70 Ų7097.4 Ų97.449%0.4950%0.504SS..Hα-helixtrans-66.5-37.5178.2-171.20000112.8A722 F723 R724 E730A722-S726 PolarHBondContact O-N 3.4Å; A722-S726 VanDerWaalsContact O-N 3.09Å; F723-S726 PolarHBondContact O-N 2.77Å; R724-S726 PolarHBondContact O-N 3.14Å; S726-E730 PolarHBondContact O-N 3.41Å
727A77.5Confident84Confident56 Ų5695.5 Ų95.546%0.46350%0.503SS..Hα-helixtrans-68.3-40.9176.700000112.6F723 R724 E729 E730 V731F723-A727 WeakPolarHBondContact O-CB 3.27Å; F723-A727 PolarHBondContact O-N 3.11Å; R724-A727 PolarHBondContact O-N 3.4Å; A727-E729 VanDerWaalsContact C-N 3.33Å; A727-E729 PolarHBondContact O-N 2.92Å; A727-E730 PolarHBondContact O-N 3.32Å; A727-V731 WeakPolarHBondContact O-CG2 3.47Å; A727-V731 PolarHBondContact O-N 3.21Å
728E85.6Confident83.8Confident126 Ų12698 Ų9859%0.58952%0.517SS*.Hα-helixtrans-63.2-39.1176.2-77176.1-174.800112R724 A725 E730 V731 N732R724-E728 WeakPolarHBondContact O-CG 3.37Å; R724-E728 PolarHBondContact O-N 3.36Å; A725-E728 PolarHBondContact O-N 2.67Å; E728-E730 PolarHBondContact O-N 2.78Å; E728-V731 PolarHBondContact O-N 3.21Å; E728-N732 PolarHBondContact O-N 3.24Å; E728-N732 VanDerWaalsContact O-N 3.1Å; E728-N732 PolarHBondContact O-ND2 3.1Å
729E84.8Confident83.5Confident118 Ų11896.8 Ų96.855%0.55152%0.519SS*.Hα-helixtrans-64.4-38.3177-150.7171.7-149.500112.1A725 A727 N732 R733A725-E729 PolarHBondContact O-N 2.95Å; A725-E729 VanDerWaalsContact O-N 3.15Å; A727-E729 VanDerWaalsContact C-N 3.33Å; A727-E729 PolarHBondContact O-N 2.92Å; E729-N732 PolarHBondContact O-N 3.1Å; E729-R733 PolarHBondContact O-N 3.07Å; E729-R733 VanDerWaalsContact O-N 3.11Å
730E81.6Confident83.6Confident85 Ų85100 Ų10040%0.39753%0.53SS..Hα-helixtrans-69.8-39.7176-170.861.3-168.100112.8S726 A727 E728 N732 R733 L734S726-E730 PolarHBondContact O-N 3.41Å; A727-E730 PolarHBondContact O-N 3.32Å; E728-E730 PolarHBondContact O-N 2.78Å; E730-N732 VanDerWaalsContact C-N 3.26Å; E730-N732 PolarHBondContact O-N 3.06Å; E730-R733 PolarHBondContact O-N 3.26Å; E730-R733 IonicContact OE2-CZ 2.66Å; E730-R733 VanDerWaalsContact OE2-CZ 3.23Å; E730-R733 IonicContact OE2-NE 3.9Å; E730-R733 PolarHBondContact OE2-NE 3Å; E730-R733 IonicContact OE2-NH2 2.78Å; E730-R733 PolarHBondContact OE2-NH2 2.99Å; E730-L734 HydrophobicContact CG-CD1 4.42Å; E730-L734 WeakPolarHBondContact O-CG 3.45Å; E730-L734 PolarHBondContact O-N 3.06Å
731V80.1Confident83.6Confident74 Ų7499.1 Ų99.145%0.44853%0.529SS..Hα-helixtrans-61-38.5174.6170.10000111.1A727 E728 L734 K735A727-V731 WeakPolarHBondContact O-CG2 3.47Å; A727-V731 PolarHBondContact O-N 3.21Å; E728-V731 PolarHBondContact O-N 3.21Å; V731-L734 PolarHBondContact O-N 3.12Å; V731-K735 HydrophobicContact CG1-CD 4.47Å; V731-K735 WeakPolarHBondContact O-CG 3.43Å; V731-K735 PolarHBondContact O-N 3.21Å
732N87Confident83.2Confident89 Ų8996.5 Ų96.548%0.47653%0.529SS..Hα-helixtrans-66.8-44.1176.3-70.6-27.4000111.7E728 E729 E730 L734 K735 D736E728-N732 PolarHBondContact O-N 3.24Å; E728-N732 VanDerWaalsContact O-N 3.1Å; E728-N732 PolarHBondContact O-ND2 3.1Å; E729-N732 PolarHBondContact O-N 3.1Å; E730-N732 VanDerWaalsContact C-N 3.26Å; E730-N732 PolarHBondContact O-N 3.06Å; N732-L734 VanDerWaalsContact C-N 3.33Å; N732-L734 PolarHBondContact O-N 3.07Å; N732-K735 PolarHBondContact O-N 2.94Å; N732-D736 PolarHBondContact O-N 2.96Å
733R84.8Confident83.1Confident133 Ų13396.3 Ų96.350%0.50252%0.524SS..Hα-helixtrans-59-40.5174.5-74.6-166.4-76.4-121.1-2113.3E729 E730 S737E729-R733 PolarHBondContact O-N 3.07Å; E729-R733 VanDerWaalsContact O-N 3.11Å; E730-R733 PolarHBondContact O-N 3.26Å; E730-R733 IonicContact OE2-CZ 2.66Å; E730-R733 VanDerWaalsContact OE2-CZ 3.23Å; E730-R733 IonicContact OE2-NE 3.9Å; E730-R733 PolarHBondContact OE2-NE 3Å; E730-R733 IonicContact OE2-NH2 2.78Å; E730-R733 PolarHBondContact OE2-NH2 2.99Å; R733-S737 WeakPolarHBondContact O-CB 3.23Å; R733-S737 PolarHBondContact O-N 3.44Å; R733-S737 PolarHBondContact O-OG 3.01Å
734L80.5Confident83.3Confident105 Ų10594.3 Ų94.355%0.5552%0.52SS..Hα-helixtrans-68.9-39.7177.7-72.4172.5000112E730 V731 N732 S737 L738E730-L734 HydrophobicContact CG-CD1 4.42Å; E730-L734 WeakPolarHBondContact O-CG 3.45Å; E730-L734 PolarHBondContact O-N 3.06Å; V731-L734 PolarHBondContact O-N 3.12Å; N732-L734 VanDerWaalsContact C-N 3.33Å; N732-L734 PolarHBondContact O-N 3.07Å; L734-S737 PolarHBondContact O-N 3.11Å; L734-L738 WeakPolarHBondContact O-CB 3.46Å; L734-L738 PolarHBondContact O-N 3.36Å
735K84Confident83.1Confident135 Ų13593.8 Ų93.859%0.58752%0.519SS*.Hα-helixtrans-60.5-45.9174.3-83.1178.7176.91750112V731 N732 S737 L738 A739V731-K735 HydrophobicContact CG1-CD 4.47Å; V731-K735 WeakPolarHBondContact O-CG 3.43Å; V731-K735 PolarHBondContact O-N 3.21Å; N732-K735 PolarHBondContact O-N 2.94Å; K735-S737 PolarHBondContact O-N 3.5Å; K735-L738 PolarHBondContact O-N 3.4Å; K735-A739 PolarHBondContact O-N 3.38Å
736D86.3Confident83.1Confident113 Ų11397.9 Ų97.960%0.60453%0.526SS*.Hα-helixtrans-64.8-40.8179.2-69.9-18.7000111.7N732 L738 A739 N740N732-D736 PolarHBondContact O-N 2.96Å; D736-L738 PolarHBondContact O-N 3.24Å; D736-A739 PolarHBondContact O-N 2.86Å; D736-N740 PolarHBondContact O-N 3.21Å; D736-N740 VanDerWaalsContact O-N 3.08Å
737S82.8Confident82.9Confident77 Ų7797.6 Ų97.654%0.53852%0.524SS..Hα-helixtrans-63.4-40.8176.1-62.40000112.2R733 L734 K735 C741R733-S737 WeakPolarHBondContact O-CB 3.23Å; R733-S737 PolarHBondContact O-N 3.44Å; R733-S737 PolarHBondContact O-OG 3.01Å; L734-S737 PolarHBondContact O-N 3.11Å; K735-S737 PolarHBondContact O-N 3.5Å; S737-C741 WeakPolarHBondContact O-CB 3.3Å; S737-C741 PolarHBondContact O-N 2.7Å
738L83.4Confident83.3Confident124 Ų12499.3 Ų99.365%0.64952%0.524SS*.Hα-helixtrans-67.1-41.7177.5-176.363.9000111.9L734 K735 D736 C741 A742L734-L738 WeakPolarHBondContact O-CB 3.46Å; L734-L738 PolarHBondContact O-N 3.36Å; K735-L738 PolarHBondContact O-N 3.4Å; D736-L738 PolarHBondContact O-N 3.24Å; L738-C741 PolarHBondContact O-N 2.94Å; L738-A742 WeakPolarHBondContact O-CB 3.39Å; L738-A742 PolarHBondContact O-N 2.87Å
739A81.8Confident83Confident63 Ų6398.2 Ų98.252%0.52152%0.521SS..Hα-helixtrans-61.6-43.4177.100000112K735 D736 A742 S743K735-A739 PolarHBondContact O-N 3.38Å; D736-A739 PolarHBondContact O-N 2.86Å; A739-A742 PolarHBondContact O-N 3.36Å; A739-S743 PolarHBondContact O-N 2.87Å; A739-S743 VanDerWaalsContact O-N 3.11Å
740N87.1Confident83Confident112 Ų11296.9 Ų96.960%0.59952%0.518SS*.Hα-helixtrans-65.2-38.4173.9-98.9-10.1000112.8D736 S743 N744D736-N740 PolarHBondContact O-N 3.21Å; D736-N740 VanDerWaalsContact O-N 3.08Å; N740-S743 PolarHBondContact O-N 3.49Å; N740-S743 PolarHBondContact O-OG 2.81Å; N740-N744 PolarHBondContact O-N 2.83Å
741C82.1Confident83.2Confident57 Ų5797.7 Ų97.739%0.38553%0.525SS..Hα-helixtrans-64.7-43.1176.8-1620000111.5S737 L738 S743 N744 Y745S737-C741 WeakPolarHBondContact O-CB 3.3Å; S737-C741 PolarHBondContact O-N 2.7Å; L738-C741 PolarHBondContact O-N 2.94Å; C741-S743 PolarHBondContact O-N 3.47Å; C741-N744 PolarHBondContact O-N 2.97Å; C741-Y745 VanDerWaalsContact O-CD2 3.26Å; C741-Y745 WeakPolarHBondContact O-CD2 3.42Å; C741-Y745 PolarHBondContact O-N 3.39Å; C741-Y745 WeakPolarHBondContact SG-CE2 3.39Å
742A78.7Confident83.5Confident60 Ų6099 Ų9950%0.49653%0.527SS..Hα-helixtrans-63.7-39.6178.200000112.7L738 A739 K746L738-A742 WeakPolarHBondContact O-CB 3.39Å; L738-A742 PolarHBondContact O-N 2.87Å; A739-A742 PolarHBondContact O-N 3.36Å; A742-K746 WeakPolarHBondContact O-CB 3.47Å; A742-K746 PolarHBondContact O-N 3.29Å; A742-K746 VanDerWaalsContact O-N 3.08Å
743S83.4Confident83.1Confident61 Ų6197.6 Ų97.643%0.42753%0.525SS..Hα-helixtrans-65.9-40.8176.875.10000111.9A739 N740 C741 K746 S747A739-S743 PolarHBondContact O-N 2.87Å; A739-S743 VanDerWaalsContact O-N 3.11Å; N740-S743 PolarHBondContact O-N 3.49Å; N740-S743 PolarHBondContact O-OG 2.81Å; C741-S743 PolarHBondContact O-N 3.47Å; S743-K746 PolarHBondContact O-N 2.73Å; S743-S747 PolarHBondContact O-N 2.87Å; S743-S747 VanDerWaalsContact O-N 3.11Å
744N84.1Confident83.1Confident104 Ų10495.8 Ų95.856%0.55652%0.522SS*.Hα-helixtrans-63.2-47175.6-78.4-17.5000112.4N740 C741 K746 S747 I748N740-N744 PolarHBondContact O-N 2.83Å; C741-N744 PolarHBondContact O-N 2.97Å; N744-K746 VanDerWaalsContact C-N 3.31Å; N744-K746 PolarHBondContact O-N 3.1Å; N744-S747 WeakPolarHBondContact O-CB 3.39Å; N744-S747 PolarHBondContact O-N 3.35Å; N744-I748 WeakPolarHBondContact O-CG1 3.28Å; N744-I748 PolarHBondContact O-N 3.25Å; N744-I748 VanDerWaalsContact O-N 3.1Å
745Y78.1Confident83.1Confident150 Ų15096.2 Ų96.259%0.58852%0.521SS*.Hα-helixtrans-62.6-38.1177.2-83.4-64.6000112.6C741 S747 I748 I749C741-Y745 VanDerWaalsContact O-CD2 3.26Å; C741-Y745 WeakPolarHBondContact O-CD2 3.42Å; C741-Y745 PolarHBondContact O-N 3.39Å; C741-Y745 WeakPolarHBondContact SG-CE2 3.39Å; Y745-S747 VanDerWaalsContact C-N 3.32Å; Y745-S747 PolarHBondContact O-N 3.17Å; Y745-I748 PolarHBondContact O-N 3.5Å; Y745-I749 WeakPolarHBondContact O-CG1 3.34Å; Y745-I749 PolarHBondContact O-N 3.41Å
746K85.5Confident83.1Confident143 Ų14395.5 Ų95.562%0.62252%0.52SS*.Hα-helixtrans-61.5-40.3175.4-171.7175.4-178177.70112A742 S743 N744 N750A742-K746 WeakPolarHBondContact O-CB 3.47Å; A742-K746 PolarHBondContact O-N 3.29Å; A742-K746 VanDerWaalsContact O-N 3.08Å; S743-K746 PolarHBondContact O-N 2.73Å; N744-K746 VanDerWaalsContact C-N 3.31Å; N744-K746 PolarHBondContact O-N 3.1Å; K746-N750 PolarHBondContact O-N 3.16Å
747S82.6Confident83.1Confident65 Ų6596.2 Ų96.246%0.45551%0.514SS..Hα-helixtrans-63-45.3175.2-172.20000112.2S743 N744 Y745 I749 N750 N751S743-S747 PolarHBondContact O-N 2.87Å; S743-S747 VanDerWaalsContact O-N 3.11Å; N744-S747 WeakPolarHBondContact O-CB 3.39Å; N744-S747 PolarHBondContact O-N 3.35Å; Y745-S747 VanDerWaalsContact C-N 3.32Å; Y745-S747 PolarHBondContact O-N 3.17Å; S747-I749 PolarHBondContact O-N 3.45Å; S747-N750 PolarHBondContact O-N 3.04Å; S747-N751 PolarHBondContact O-N 3.31Å; S747-N751 VanDerWaalsContact O-N 3.09Å
748I84.5Confident83.2Confident91 Ų91100.5 Ų100.547%0.46752%0.518SS..Hα-helixtrans-62.5-45178.9-65.6167.5000111.6N744 Y745 N750 N751 M752N744-I748 WeakPolarHBondContact O-CG1 3.28Å; N744-I748 PolarHBondContact O-N 3.25Å; N744-I748 VanDerWaalsContact O-N 3.1Å; Y745-I748 PolarHBondContact O-N 3.5Å; I748-N750 VanDerWaalsContact C-N 3.32Å; I748-N750 PolarHBondContact O-N 3.09Å; I748-N751 PolarHBondContact O-N 3.33Å; I748-M752 PolarHBondContact O-N 3.44Å
749I80Confident83.2Confident104 Ų104100.3 Ų100.353%0.53351%0.514SS..Hα-helixtrans-61.6-42.6179.2-69.2168.9000110.8Y745 S747 M752 S753Y745-I749 WeakPolarHBondContact O-CG1 3.34Å; Y745-I749 PolarHBondContact O-N 3.41Å; S747-I749 PolarHBondContact O-N 3.45Å; I749-M752 PolarHBondContact O-N 3.11Å; I749-S753 WeakPolarHBondContact O-CB 3.35Å; I749-S753 PolarHBondContact O-N 3.45Å; I749-S753 PolarHBondContact O-OG 2.93Å
750N83.7Confident83.2Confident89 Ų89103.9 Ų103.948%0.47652%0.518SS..Hα-helixtrans-61.4-46.9177.4-76.6-9.5000111.3K746 S747 I748 M752 S753 E754K746-N750 PolarHBondContact O-N 3.16Å; S747-N750 PolarHBondContact O-N 3.04Å; I748-N750 VanDerWaalsContact C-N 3.32Å; I748-N750 PolarHBondContact O-N 3.09Å; N750-M752 PolarHBondContact O-N 3.03Å; N750-S753 PolarHBondContact O-N 3.23Å; N750-S753 PolarHBondContact O-OG 3.48Å; N750-E754 WeakPolarHBondContact O-CG 3.36Å; N750-E754 PolarHBondContact O-N 3.42Å
751N86.9Confident83.1Confident102 Ų102103.1 Ų103.155%0.54551%0.514SS..Hα-helixtrans-59.5-45.8177.2-78.7-6.4000112.7S747 I748 S753 E754 E755S747-N751 PolarHBondContact O-N 3.31Å; S747-N751 VanDerWaalsContact O-N 3.09Å; I748-N751 PolarHBondContact O-N 3.33Å; N751-S753 VanDerWaalsContact C-N 3.31Å; N751-S753 PolarHBondContact O-N 2.99Å; N751-E754 PolarHBondContact O-N 2.95Å; N751-E755 PolarHBondContact O-N 3.24Å; N751-E755 VanDerWaalsContact O-N 3.09Å
752M85.4Confident83.4Confident101 Ų101106.7 Ų106.750%0.49853%0.525SS..Hα-helixtrans-63.8-36.4177.2-68.2-153.5-49.200112.5I748 I749 N750 E754 E755 H756I748-M752 PolarHBondContact O-N 3.44Å; I749-M752 PolarHBondContact O-N 3.11Å; N750-M752 PolarHBondContact O-N 3.03Å; M752-E754 VanDerWaalsContact C-N 3.33Å; M752-E754 PolarHBondContact O-N 3.5Å; M752-E755 PolarHBondContact O-N 3.49Å; M752-H756 PolarHBondContact O-N 2.87Å
753S79.8Confident83.5Confident61 Ų61108.5 Ų108.543%0.42753%0.525SS..Hα-helixtrans-67.6-32.8177.673.20000112.9I749 N750 N751 R757I749-S753 WeakPolarHBondContact O-CB 3.35Å; I749-S753 PolarHBondContact O-N 3.45Å; I749-S753 PolarHBondContact O-OG 2.93Å; N750-S753 PolarHBondContact O-N 3.23Å; N750-S753 PolarHBondContact O-OG 3.48Å; N751-S753 VanDerWaalsContact C-N 3.31Å; N751-S753 PolarHBondContact O-N 2.99Å; S753-R757 WeakPolarHBondContact O-CB 3.37Å; S753-R757 PolarHBondContact O-N 3.46Å
754E83.4Confident83.6Confident94 Ų94110 Ų11044%0.43953%0.528SS..Hα-helixtrans-70.3-36.9172.1-62.1-138.2114.500112.5N750 N751 M752 R757 R758N750-E754 WeakPolarHBondContact O-CG 3.36Å; N750-E754 PolarHBondContact O-N 3.42Å; N751-E754 PolarHBondContact O-N 2.95Å; M752-E754 VanDerWaalsContact C-N 3.33Å; M752-E754 PolarHBondContact O-N 3.5Å; E754-R757 VanDerWaalsContact CD-NH2 3.34Å; E754-R757 PolarHBondContact O-N 3.38Å; E754-R757 IonicContact OE1-CZ 2.8Å; E754-R757 IonicContact OE1-NH2 3.7Å; E754-R757 PolarHBondContact OE1-NH2 3.08Å; E754-R758 PolarHBondContact O-N 3.15Å; E754-R758 VanDerWaalsContact O-N 3.14Å
755E81.7Confident83.7Confident114 Ų114108.7 Ų108.753%0.53353%0.527SS..Hα-helixtrans-66.2-51.3177.3-169.9171.1-166.400111.9N751 M752 R757 R758 E759N751-E755 PolarHBondContact O-N 3.24Å; N751-E755 VanDerWaalsContact O-N 3.09Å; M752-E755 PolarHBondContact O-N 3.49Å; E755-R757 PolarHBondContact O-N 2.93Å; E755-R758 PolarHBondContact O-N 3.07Å; E755-R758 VanDerWaalsContact O-N 3.09Å; E755-E759 PolarHBondContact O-N 2.91Å
756H84.3Confident84Confident121 Ų121106 Ų10656%0.5652%0.523SS*.Hα-helixtrans-58.9-34.2175.6-75.7160.8000113M752 K760M752-H756 PolarHBondContact O-N 2.87Å; H756-K760 VanDerWaalsContact O-CB 3.3Å; H756-K760 WeakPolarHBondContact O-CB 3.5Å; H756-K760 PolarHBondContact O-N 3.4Å
757R85.5Confident83.7Confident127 Ų127105 Ų10548%0.47952%0.521SS..Hα-helixtrans-65-46.6175.4174.2169.236.8106.1-2.2111.3S753 E754 E755 E759 K760 D761S753-R757 WeakPolarHBondContact O-CB 3.37Å; S753-R757 PolarHBondContact O-N 3.46Å; E754-R757 VanDerWaalsContact CD-NH2 3.34Å; E754-R757 PolarHBondContact O-N 3.38Å; E754-R757 IonicContact OE1-CZ 2.8Å; E754-R757 IonicContact OE1-NH2 3.7Å; E754-R757 PolarHBondContact OE1-NH2 3.08Å; E755-R757 PolarHBondContact O-N 2.93Å; R757-E759 VanDerWaalsContact C-N 3.33Å; R757-E759 PolarHBondContact O-N 3.33Å; R757-K760 PolarHBondContact O-N 3.02Å; R757-D761 VanDerWaalsContact O-CG 3.31Å; R757-D761 PolarHBondContact O-N 3.31Å
758R85.8Confident83.7Confident168 Ų168108.3 Ų108.363%0.63453%0.528SS*.Hα-helixtrans-60.3-42.7176-74.8-174.3-76.8160.2-3.8112.1E754 E755 D761 Q762E754-R758 PolarHBondContact O-N 3.15Å; E754-R758 VanDerWaalsContact O-N 3.14Å; E755-R758 PolarHBondContact O-N 3.07Å; E755-R758 VanDerWaalsContact O-N 3.09Å; R758-D761 PolarHBondContact O-N 3.18Å; R758-Q762 PolarHBondContact O-N 2.95Å
759E82.7Confident83.4Confident120 Ų120109.9 Ų109.956%0.56153%0.533SS*.Hα-helixtrans-67.1-42-179.3-156.9174.9-151.100112E755 R757 D761 Q762 I763E755-E759 PolarHBondContact O-N 2.91Å; R757-E759 VanDerWaalsContact C-N 3.33Å; R757-E759 PolarHBondContact O-N 3.33Å; E759-D761 PolarHBondContact O-N 2.96Å; E759-Q762 PolarHBondContact O-N 3.17Å; E759-I763 WeakPolarHBondContact O-CG1 3.33Å; E759-I763 PolarHBondContact O-N 3.5Å
760K82.5Confident83.3Confident137 Ų137109.3 Ų109.360%0.59653%0.534SS*.Hα-helixtrans-59.4-46.2173.6-176.8-179.6177.1-179.60112H756 R757 Q762 I763 I764H756-K760 VanDerWaalsContact O-CB 3.3Å; H756-K760 WeakPolarHBondContact O-CB 3.5Å; H756-K760 PolarHBondContact O-N 3.4Å; R757-K760 PolarHBondContact O-N 3.02Å; K760-Q762 VanDerWaalsContact C-N 3.28Å; K760-Q762 PolarHBondContact O-N 3.32Å; K760-I763 PolarHBondContact O-N 3.03Å; K760-I764 HydrophobicContact CG-CD1 4.05Å; K760-I764 VanDerWaalsContact O-CG1 3.3Å; K760-I764 WeakPolarHBondContact O-CG1 3.43Å; K760-I764 PolarHBondContact O-N 2.87Å
761D85.4Confident83Confident97 Ų97110.6 Ų110.652%0.51954%0.537SS..Hα-helixtrans-64-35.9179.6-68.7-21.8000111.5R757 R758 E759 I764 S765R757-D761 VanDerWaalsContact O-CG 3.31Å; R757-D761 PolarHBondContact O-N 3.31Å; R758-D761 PolarHBondContact O-N 3.18Å; E759-D761 PolarHBondContact O-N 2.96Å; D761-I764 PolarHBondContact O-N 3.03Å; D761-S765 PolarHBondContact O-N 3.24Å
762Q87.4Confident82.6Confident131 Ų131110 Ų11061%0.61253%0.531SS*.Hα-helixtrans-69.2-40176.2-170.4144.25.600113R758 E759 K760 I764 S765 N766R758-Q762 PolarHBondContact O-N 2.95Å; E759-Q762 PolarHBondContact O-N 3.17Å; K760-Q762 VanDerWaalsContact C-N 3.28Å; K760-Q762 PolarHBondContact O-N 3.32Å; Q762-I764 VanDerWaalsContact C-N 3.34Å; Q762-S765 PolarHBondContact O-N 3.02Å; Q762-N766 PolarHBondContact O-N 3.39Å
763I81.6Confident82.1Confident98 Ų98108.7 Ų108.750%0.50353%0.529SS..Hα-helixtrans-62.7-42.2174.5-67.9166.5000110.9E759 K760 S765 N766 M767E759-I763 WeakPolarHBondContact O-CG1 3.33Å; E759-I763 PolarHBondContact O-N 3.5Å; K760-I763 PolarHBondContact O-N 3.03Å; I763-S765 VanDerWaalsContact C-N 3.34Å; I763-S765 PolarHBondContact O-N 2.9Å; I763-N766 PolarHBondContact O-N 2.89Å; I763-M767 PolarHBondContact O-N 2.71Å
764I85Confident82.1Confident94 Ų94112 Ų11248%0.48254%0.536SS..Hα-helixtrans-62.1-43.7177.5-68.2167000110.7K760 D761 Q762 N766 M767 K768K760-I764 HydrophobicContact CG-CD1 4.05Å; K760-I764 VanDerWaalsContact O-CG1 3.3Å; K760-I764 WeakPolarHBondContact O-CG1 3.43Å; K760-I764 PolarHBondContact O-N 2.87Å; D761-I764 PolarHBondContact O-N 3.03Å; Q762-I764 VanDerWaalsContact C-N 3.34Å; I764-N766 PolarHBondContact O-N 3.05Å; I764-M767 PolarHBondContact O-N 3.28Å; I764-K768 PolarHBondContact O-N 3.37Å; I764-K768 VanDerWaalsContact O-N 3.07Å
765S86.3Confident81.8Confident76 Ų76112.2 Ų112.253%0.53154%0.54SS..Hα-helixtrans-59.5-45.6175.6-169.40000112.1D761 Q762 I763 K768 H769D761-S765 PolarHBondContact O-N 3.24Å; Q762-S765 PolarHBondContact O-N 3.02Å; I763-S765 VanDerWaalsContact C-N 3.34Å; I763-S765 PolarHBondContact O-N 2.9Å; S765-K768 PolarHBondContact O-N 2.95Å; S765-H769 PolarHBondContact O-N 3.03Å; S765-H769 VanDerWaalsContact O-N 3.13Å
766N84.8Confident81.8Confident94 Ų94111.4 Ų111.450%0.50354%0.538SS..Hα-helixtrans-65.5-41.3178.5-70.7-12.1000112.6Q762 I763 I764 K768 H769 T770Q762-N766 PolarHBondContact O-N 3.39Å; I763-N766 PolarHBondContact O-N 2.89Å; I764-N766 PolarHBondContact O-N 3.05Å; N766-K768 VanDerWaalsContact C-N 3.33Å; N766-K768 PolarHBondContact O-N 2.99Å; N766-H769 PolarHBondContact O-N 3.48Å; N766-T770 PolarHBondContact O-N 3.05Å; N766-T770 PolarHBondContact O-OG1 3.11Å
767M78.5Confident81.3Confident121 Ų121108.9 Ų108.960%0.59653%0.534SS*.Hα-helixtrans-58.9-45.9175.3-91.2-176.658.400111.3I763 I764 H769 T770 E771I763-M767 PolarHBondContact O-N 2.71Å; I764-M767 PolarHBondContact O-N 3.28Å; M767-H769 VanDerWaalsContact C-N 3.32Å; M767-H769 PolarHBondContact O-N 3.28Å; M767-T770 PolarHBondContact O-N 3.07Å; M767-T770 VanDerWaalsContact O-N 3.15Å; M767-E771 PolarHBondContact O-N 3.45Å
768K82.6Confident80.7Confident135 Ų135107.4 Ų107.459%0.58754%0.535SS*.Hα-helixtrans-59.8-43.2178.5-169.7-179.2175.7-1730111.6I764 S765 N766 T770 E771 E772I764-K768 PolarHBondContact O-N 3.37Å; I764-K768 VanDerWaalsContact O-N 3.07Å; S765-K768 PolarHBondContact O-N 2.95Å; N766-K768 VanDerWaalsContact C-N 3.33Å; N766-K768 PolarHBondContact O-N 2.99Å; K768-T770 VanDerWaalsContact C-N 3.32Å; K768-T770 PolarHBondContact O-N 3.42Å; K768-E771 PolarHBondContact O-N 3.37Å; K768-E772 WeakPolarHBondContact CE-OE1 3.37Å; K768-E772 WeakPolarHBondContact O-CG 3.49Å; K768-E772 PolarHBondContact O-N 3.44Å
769H78.4Confident80.3Confident124 Ų124105.1 Ų105.157%0.57453%0.532SS*.Hα-helixtrans-66.5-33.6177.2-153.953.1000113.1S765 N766 M767 E772 T773S765-H769 PolarHBondContact O-N 3.03Å; S765-H769 VanDerWaalsContact O-N 3.13Å; N766-H769 PolarHBondContact O-N 3.48Å; M767-H769 VanDerWaalsContact C-N 3.32Å; M767-H769 PolarHBondContact O-N 3.28Å; H769-E772 IonicContact ND1-OE2 2.75Å; H769-T773 PolarHBondContact O-N 2.98Å; H769-T773 VanDerWaalsContact O-N 3.12Å; H769-T773 PolarHBondContact O-OG1 3.07Å
770T76.9Confident79.8Confident92 Ų92105.1 Ų105.156%0.56453%0.532SS*.Hα-helixtrans-70.7-34.5175.8-47.60000111.6N766 M767 K768 T773 K774N766-T770 PolarHBondContact O-N 3.05Å; N766-T770 PolarHBondContact O-OG1 3.11Å; M767-T770 PolarHBondContact O-N 3.07Å; M767-T770 VanDerWaalsContact O-N 3.15Å; K768-T770 VanDerWaalsContact C-N 3.32Å; K768-T770 PolarHBondContact O-N 3.42Å; T770-T773 VanDerWaalsContact CA-OG1 3.3Å; T770-T773 WeakPolarHBondContact CA-OG1 3.44Å; T770-T773 PolarHBondContact O-OG1 3.2Å; T770-K774 WeakPolarHBondContact O-CB 3.26Å; T770-K774 PolarHBondContact O-N 3.31Å
771E79.2Confident79.2Confident115 Ų115102.3 Ų102.354%0.53753%0.526SS..Hα-helixtrans-71.4-42.2176.6-163151.7-147.100111.5M767 K768 T773 K774 D775M767-E771 PolarHBondContact O-N 3.45Å; K768-E771 PolarHBondContact O-N 3.37Å; E771-T773 PolarHBondContact O-N 3.49Å; E771-K774 WeakPolarHBondContact O-CB 3.46Å; E771-K774 PolarHBondContact O-N 3.22Å; E771-D775 PolarHBondContact O-N 2.9Å
772E77.7Confident78.6Confident90 Ų9099.9 Ų99.942%0.42152%0.52SS..Hα-helixtrans-59.6-42.1173.1-72.9170.1-176.300112.2K768 H769 D775 I776K768-E772 WeakPolarHBondContact CE-OE1 3.37Å; K768-E772 WeakPolarHBondContact O-CG 3.49Å; K768-E772 PolarHBondContact O-N 3.44Å; H769-E772 IonicContact ND1-OE2 2.75Å; E772-D775 PolarHBondContact O-N 3.37Å; E772-I776 WeakPolarHBondContact O-CG1 3.44Å; E772-I776 PolarHBondContact O-N 3.42Å; E772-I776 VanDerWaalsContact O-N 3.14Å
773T74.2Confident78.1Confident74 Ų74100 Ų10045%0.45452%0.518SS..Hα-helixtrans-69.5-34.9176.6400000113H769 T770 E771 I776 S777H769-T773 PolarHBondContact O-N 2.98Å; H769-T773 VanDerWaalsContact O-N 3.12Å; H769-T773 PolarHBondContact O-OG1 3.07Å; T770-T773 VanDerWaalsContact CA-OG1 3.3Å; T770-T773 WeakPolarHBondContact CA-OG1 3.44Å; T770-T773 PolarHBondContact O-OG1 3.2Å; E771-T773 PolarHBondContact O-N 3.49Å; T773-I776 PolarHBondContact O-N 3.03Å; T773-S777 PolarHBondContact O-N 3.44Å
774K81.2Confident77.4Confident129 Ų129101.2 Ų101.256%0.56153%0.525SS*.Hα-helixtrans-63.6-41.9172.7-178.4-173.6173.4-169.10111.6T770 E771 S777 L778T770-K774 WeakPolarHBondContact O-CB 3.26Å; T770-K774 PolarHBondContact O-N 3.31Å; E771-K774 WeakPolarHBondContact O-CB 3.46Å; E771-K774 PolarHBondContact O-N 3.22Å; K774-S777 PolarHBondContact O-N 3.36Å; K774-L778 HydrophobicContact CG-CD1 4.22Å; K774-L778 WeakPolarHBondContact O-CB 3.42Å; K774-L778 WeakPolarHBondContact O-CG 3.49Å; K774-L778 PolarHBondContact O-N 3.39Å
775D76.9Confident77Confident99 Ų99103.9 Ų103.953%0.52953%0.533SS..Hα-helixtrans-65.8-40.5178.2-81.2-11.4000112.2E771 E772 S777 L778 Q779E771-D775 PolarHBondContact O-N 2.9Å; E772-D775 PolarHBondContact O-N 3.37Å; D775-S777 PolarHBondContact O-N 3.49Å; D775-L778 PolarHBondContact O-N 2.83Å; D775-Q779 WeakPolarHBondContact O-CB 3.41Å; D775-Q779 PolarHBondContact O-N 2.76Å
776I80Confident76.5Confident98 Ų98105.1 Ų105.150%0.50353%0.533SS..Hα-helixtrans-60.8-45.2173.2-65.8166.3000110.5E772 T773 L778 Q779 E780E772-I776 WeakPolarHBondContact O-CG1 3.44Å; E772-I776 PolarHBondContact O-N 3.42Å; E772-I776 VanDerWaalsContact O-N 3.14Å; T773-I776 PolarHBondContact O-N 3.03Å; I776-L778 PolarHBondContact O-N 3.15Å; I776-Q779 WeakPolarHBondContact O-CB 3.41Å; I776-Q779 PolarHBondContact O-N 3.28Å; I776-E780 PolarHBondContact O-N 2.97Å
777S74.6Confident76Confident67 Ų67105.8 Ų105.847%0.46954%0.536SS..Hα-helixtrans-63.4-40.4177.7-177.60000112.9T773 K774 D775 Q779 E780 T781T773-S777 PolarHBondContact O-N 3.44Å; K774-S777 PolarHBondContact O-N 3.36Å; D775-S777 PolarHBondContact O-N 3.49Å; S777-Q779 VanDerWaalsContact C-N 3.32Å; S777-E780 PolarHBondContact O-N 3.36Å; S777-T781 PolarHBondContact O-N 3.43Å; S777-T781 PolarHBondContact O-OG1 3.49Å
778L74Confident75.6Confident97 Ų97105.7 Ų105.751%0.50854%0.537SS..Hα-helixtrans-63.8-38.3174.4-76.9171.8000111.6K774 D775 I776 T781 A782K774-L778 HydrophobicContact CG-CD1 4.22Å; K774-L778 WeakPolarHBondContact O-CB 3.42Å; K774-L778 WeakPolarHBondContact O-CG 3.49Å; K774-L778 PolarHBondContact O-N 3.39Å; D775-L778 PolarHBondContact O-N 2.83Å; I776-L778 PolarHBondContact O-N 3.15Å; L778-T781 VanDerWaalsContact CA-OG1 3.31Å; L778-T781 WeakPolarHBondContact CA-OG1 3.38Å; L778-T781 PolarHBondContact O-OG1 3.35Å; L778-A782 WeakPolarHBondContact O-CB 3.43Å; L778-A782 PolarHBondContact O-N 3.04Å
779Q76.3Confident75.3Confident120 Ų120103.2 Ų103.256%0.56153%0.53SS*.Hα-helixtrans-67.5-38.9176.6-160.9-17916.600112D775 I776 S777 A782 K783D775-Q779 WeakPolarHBondContact O-CB 3.41Å; D775-Q779 PolarHBondContact O-N 2.76Å; I776-Q779 WeakPolarHBondContact O-CB 3.41Å; I776-Q779 PolarHBondContact O-N 3.28Å; S777-Q779 VanDerWaalsContact C-N 3.32Å; Q779-A782 PolarHBondContact O-N 3.35Å; Q779-K783 WeakPolarHBondContact O-CG 3.45Å; Q779-K783 PolarHBondContact O-N 3.1Å; Q779-K783 VanDerWaalsContact O-N 3.08Å
780E72.1Confident75.2Confident120 Ų120101.6 Ų101.656%0.56153%0.526SS*.Hα-helixtrans-67.8-42.9174.2-76.5-173.9153.900112.7I776 S777 A782 K783 L784I776-E780 PolarHBondContact O-N 2.97Å; S777-E780 PolarHBondContact O-N 3.36Å; E780-A782 VanDerWaalsContact C-N 3.3Å; E780-A782 PolarHBondContact O-N 3.4Å; E780-K783 PolarHBondContact O-N 3.37Å; E780-L784 PolarHBondContact O-N 3.08Å
781T69.8Low74.8Confident77 Ų77102.2 Ų102.247%0.47253%0.525SS..Hα-helixtrans-63.7-36.8174.824.30000111.8S777 L778 L784 K785S777-T781 PolarHBondContact O-N 3.43Å; S777-T781 PolarHBondContact O-OG1 3.49Å; L778-T781 VanDerWaalsContact CA-OG1 3.31Å; L778-T781 WeakPolarHBondContact CA-OG1 3.38Å; L778-T781 PolarHBondContact O-OG1 3.35Å; T781-L784 PolarHBondContact O-N 2.93Å; T781-K785 VanDerWaalsContact O-CB 3.23Å; T781-K785 WeakPolarHBondContact O-CB 3.45Å; T781-K785 PolarHBondContact O-N 3.5Å
782A73Confident74.5Confident47 Ų47103.1 Ų103.139%0.38853%0.527SS..Hα-helixtrans-62.2-44.5173.100000111.9L778 Q779 E780 K785 I786L778-A782 WeakPolarHBondContact O-CB 3.43Å; L778-A782 PolarHBondContact O-N 3.04Å; Q779-A782 PolarHBondContact O-N 3.35Å; E780-A782 VanDerWaalsContact C-N 3.3Å; E780-A782 PolarHBondContact O-N 3.4Å; A782-K785 PolarHBondContact O-N 3.38Å; A782-I786 VanDerWaalsContact O-CG1 3.31Å; A782-I786 WeakPolarHBondContact O-CG1 3.45Å; A782-I786 PolarHBondContact O-N 3.37Å
783K76.4Confident74Confident134 Ų134102.4 Ų102.458%0.58353%0.529SS*.Hα-helixtrans-60.5-45.8176.1-73.6174.9-177.6174.10112.2Q779 E780 K785 I786 L787Q779-K783 WeakPolarHBondContact O-CG 3.45Å; Q779-K783 PolarHBondContact O-N 3.1Å; Q779-K783 VanDerWaalsContact O-N 3.08Å; E780-K783 PolarHBondContact O-N 3.37Å; K783-K785 PolarHBondContact O-N 3.08Å; K783-I786 PolarHBondContact O-N 2.91Å; K783-L787 PolarHBondContact O-N 3.04Å; K783-L787 VanDerWaalsContact O-N 3.1Å
784L68.5Low73.9Confident122 Ų122105.6 Ų105.664%0.63954%0.538SS*.Hα-helixtrans-63.6-39.1176.4-82.1161.6000112.4E780 T781 L787 L788E780-L784 PolarHBondContact O-N 3.08Å; T781-L784 PolarHBondContact O-N 2.93Å; L784-L787 PolarHBondContact O-N 3.28Å; L784-L788 WeakPolarHBondContact O-CB 3.4Å; L784-L788 PolarHBondContact O-N 3.5Å
785K75.2Confident73.2Confident151 Ų151105.9 Ų105.966%0.65755%0.545SS*.Hα-helixtrans-67.3-35.5179-161.4173.5-170.2177.20112.3T781 A782 K783 N789T781-K785 VanDerWaalsContact O-CB 3.23Å; T781-K785 WeakPolarHBondContact O-CB 3.45Å; T781-K785 PolarHBondContact O-N 3.5Å; A782-K785 PolarHBondContact O-N 3.38Å; K783-K785 PolarHBondContact O-N 3.08Å; K785-N789 WeakPolarHBondContact O-CB 3.47Å; K785-N789 VanDerWaalsContact O-CG 3.29Å; K785-N789 PolarHBondContact O-N 2.88Å; K785-N789 VanDerWaalsContact O-N 3.1Å; K785-N789 PolarHBondContact O-ND2 3.27Å
786I76Confident72.8Confident102 Ų102104.5 Ų104.552%0.52354%0.54SS..Hα-helixtrans-65.2-47.8172-68164.8000110A782 K783 L788 N789 N790A782-I786 VanDerWaalsContact O-CG1 3.31Å; A782-I786 WeakPolarHBondContact O-CG1 3.45Å; A782-I786 PolarHBondContact O-N 3.37Å; K783-I786 PolarHBondContact O-N 2.91Å; I786-L788 VanDerWaalsContact C-N 3.34Å; I786-L788 PolarHBondContact O-N 2.66Å; I786-N789 PolarHBondContact O-N 2.88Å; I786-N790 PolarHBondContact O-N 3.36Å; I786-N790 PolarHBondContact O-OD1 3.47Å
787L74.1Confident72.2Confident108 Ų108104.4 Ų104.457%0.56554%0.541SS*.Hα-helixtrans-62.8-40.1-178-150.2145.8000112K783 L784 N790 I791K783-L787 PolarHBondContact O-N 3.04Å; K783-L787 VanDerWaalsContact O-N 3.1Å; L784-L787 PolarHBondContact O-N 3.28Å; L787-N790 PolarHBondContact O-N 2.95Å; L787-I791 HydrophobicContact CD2-CD1 3.94Å; L787-I791 PolarHBondContact O-N 2.98Å
788L71.4Confident71.6Confident119 Ų119106.2 Ų106.262%0.62354%0.542SS*.Hα-helixtrans-69.5-35.2176.5-163131.8000112.9L784 I786 K792L784-L788 WeakPolarHBondContact O-CB 3.4Å; L784-L788 PolarHBondContact O-N 3.5Å; I786-L788 VanDerWaalsContact C-N 3.34Å; I786-L788 PolarHBondContact O-N 2.66Å; L788-K792 VanDerWaalsContact O-CB 3.25Å; L788-K792 WeakPolarHBondContact O-CB 3.46Å; L788-K792 PolarHBondContact O-N 2.88Å
789N74.7Confident70.9Confident83 Ų83109.2 Ų109.244%0.44455%0.551SS.*Hα-helixtrans-68.5-35174.3-81-23.7000112.4K785 I786 K792 T793K785-N789 WeakPolarHBondContact O-CB 3.47Å; K785-N789 VanDerWaalsContact O-CG 3.29Å; K785-N789 PolarHBondContact O-N 2.88Å; K785-N789 VanDerWaalsContact O-N 3.1Å; K785-N789 PolarHBondContact O-ND2 3.27Å; I786-N789 PolarHBondContact O-N 2.88Å; N789-K792 PolarHBondContact O-N 3.27Å; N789-T793 WeakPolarHBondContact O-CG2 3.44Å; N789-T793 PolarHBondContact O-N 3.37Å; N789-T793 PolarHBondContact O-OG1 3.19Å
790N76.3Confident70.2Confident90 Ų90107.6 Ų107.648%0.48154%0.543SS..Hα-helixtrans-66.1-47.7176.2-70.1-3.5000111.4I786 L787 K792 T793 E794I786-N790 PolarHBondContact O-N 3.36Å; I786-N790 PolarHBondContact O-OD1 3.47Å; L787-N790 PolarHBondContact O-N 2.95Å; N790-K792 VanDerWaalsContact C-N 3.27Å; N790-K792 PolarHBondContact O-N 3.46Å; N790-T793 WeakPolarHBondContact CA-OG1 3.43Å; N790-T793 PolarHBondContact O-N 2.92Å; N790-T793 PolarHBondContact O-OG1 3.4Å; N790-E794 PolarHBondContact O-N 3.22Å; N790-E794 VanDerWaalsContact O-N 3.1Å
791I69.5Low69.6Low105 Ų105107.3 Ų107.354%0.53854%0.54SS..Hα-helixtrans-62.1-38.4176.2-64.2171.6000111.1L787 T793 L795L787-I791 HydrophobicContact CD2-CD1 3.94Å; L787-I791 PolarHBondContact O-N 2.98Å; I791-T793 VanDerWaalsContact C-N 3.34Å; I791-T793 PolarHBondContact O-N 3.32Å; I791-L795 PolarHBondContact O-N 2.75Å
792K72.7Confident69Low133 Ų133109 Ų10958%0.57855%0.55SS*.Hα-helixtrans-67.6-32.6178.4-172.6175.7-178.61780112.8L788 N789 N790 V796L788-K792 VanDerWaalsContact O-CB 3.25Å; L788-K792 WeakPolarHBondContact O-CB 3.46Å; L788-K792 PolarHBondContact O-N 2.88Å; N789-K792 PolarHBondContact O-N 3.27Å; N790-K792 VanDerWaalsContact C-N 3.27Å; N790-K792 PolarHBondContact O-N 3.46Å; K792-V796 WeakPolarHBondContact O-CG2 3.36Å; K792-V796 PolarHBondContact O-N 2.91Å
793T68.2Low68.3Low76 Ų76109.9 Ų109.947%0.46655%0.554SS.*Hα-helixtrans-75.7-42178.440.10000111.3N789 N790 I791 L795 V796 D797N789-T793 WeakPolarHBondContact O-CG2 3.44Å; N789-T793 PolarHBondContact O-N 3.37Å; N789-T793 PolarHBondContact O-OG1 3.19Å; N790-T793 WeakPolarHBondContact CA-OG1 3.43Å; N790-T793 PolarHBondContact O-N 2.92Å; N790-T793 PolarHBondContact O-OG1 3.4Å; I791-T793 VanDerWaalsContact C-N 3.34Å; I791-T793 PolarHBondContact O-N 3.32Å; T793-L795 PolarHBondContact O-N 2.66Å; T793-V796 PolarHBondContact O-N 3.31Å; T793-D797 PolarHBondContact O-N 2.95Å
794E70.9Confident67.1Low141 Ų141108.1 Ų108.166%0.65955%0.547SS*.Hα-helixtrans-59.3-41.9174.1-73.3178.4174.600113N790 V796 D797 E798N790-E794 PolarHBondContact O-N 3.22Å; N790-E794 VanDerWaalsContact O-N 3.1Å; E794-V796 VanDerWaalsContact C-N 3.34Å; E794-V796 PolarHBondContact O-N 3.48Å; E794-D797 PolarHBondContact O-N 3.39Å; E794-E798 PolarHBondContact O-N 2.99Å
795L67.2Low66.3Low134 Ų134107.9 Ų107.970%0.70255%0.55SS**Hα-helixtrans-69.4-31.8178.9-168.274.6000112.9I791 T793 K799I791-L795 PolarHBondContact O-N 2.75Å; T793-L795 PolarHBondContact O-N 2.66Å; L795-K799 WeakPolarHBondContact O-CB 3.41Å; L795-K799 PolarHBondContact O-N 3.39Å
796V69Low65.4Low70 Ų70104.8 Ų104.842%0.42455%0.548SS..Hα-helixtrans-72.7-42177.1167.10000110.3K792 T793 E794 E798 K799 E800K792-V796 WeakPolarHBondContact O-CG2 3.36Å; K792-V796 PolarHBondContact O-N 2.91Å; T793-V796 PolarHBondContact O-N 3.31Å; E794-V796 VanDerWaalsContact C-N 3.34Å; E794-V796 PolarHBondContact O-N 3.48Å; V796-E798 PolarHBondContact O-N 3.38Å; V796-K799 PolarHBondContact O-N 3.24Å; V796-E800 WeakPolarHBondContact O-CB 3.41Å; V796-E800 PolarHBondContact O-N 3.49Å
797D65.8Low64.1Low96 Ų96101.6 Ų101.651%0.51354%0.537SS..Hα-helixtrans-62.7-39.7-179-74.8-11.2000112.4T793 E794 K801T793-D797 PolarHBondContact O-N 2.95Å; E794-D797 PolarHBondContact O-N 3.39Å; D797-K801 WeakPolarHBondContact O-CG 3.44Å; D797-K801 PolarHBondContact O-N 3.18Å; D797-K801 VanDerWaalsContact O-N 3.17Å
798E61.8Low63.4Low106 Ų106100.8 Ų100.850%0.49553%0.533SS..Hα-helixtrans-74.2-33.9177.4-78.5-51139.400113.9E794 V796 E800 K801E794-E798 PolarHBondContact O-N 2.99Å; V796-E798 PolarHBondContact O-N 3.38Å; E798-E800 VanDerWaalsContact C-N 3.32Å; E798-K801 IonicContact OE1-NZ 3.52Å; E798-K801 PolarHBondContact OE1-NZ 2.96Å
799K61.1Low62.7Low159 Ų15999.1 Ų99.169%0.69153%0.531SS*.Hα-helixtrans-69.5-33.3174.8-170.8179.8179.3-1800112.2L795 V796 S803L795-K799 WeakPolarHBondContact O-CB 3.41Å; L795-K799 PolarHBondContact O-N 3.39Å; V796-K799 PolarHBondContact O-N 3.24Å; K799-S803 WeakPolarHBondContact O-CB 3.49Å; K799-S803 PolarHBondContact O-N 3.08Å; K799-S803 PolarHBondContact O-OG 3.39Å
800E60.8Low61.9Low86 Ų86100.8 Ų100.840%0.40254%0.54SS..Hα-helixtrans-72.2-42.6-179.5-171.9114.9-166.800111.1V796 E798 V802 S803 Q804V796-E800 WeakPolarHBondContact O-CB 3.41Å; V796-E800 PolarHBondContact O-N 3.49Å; E798-E800 VanDerWaalsContact C-N 3.32Å; E800-V802 PolarHBondContact O-N 3.11Å; E800-S803 PolarHBondContact O-N 3.44Å; E800-Q804 HydrophobicContact CG-CG 4.15Å; E800-Q804 WeakPolarHBondContact O-CB 3.46Å; E800-Q804 WeakPolarHBondContact O-CG 3.41Å; E800-Q804 PolarHBondContact O-N 3.15Å; E800-Q804 PolarHBondContact OE1-NE2 3.26Å
801K60Low61.5Low115 Ų115104.2 Ų104.250%0.555%0.546SS..Hα-helixtrans-58.6-42.7176.9-72.3172.9-166.5168.40113.6D797 E798D797-K801 WeakPolarHBondContact O-CG 3.44Å; D797-K801 PolarHBondContact O-N 3.18Å; D797-K801 VanDerWaalsContact O-N 3.17Å; E798-K801 IonicContact OE1-NZ 3.52Å; E798-K801 PolarHBondContact OE1-NZ 2.96Å
802V56.5Low61Low111 Ų111105.4 Ų105.467%0.67355%0.547SS*.Hα-helixtrans-72.6-33.6-179.8176.80000112.1E800E800-V802 PolarHBondContact O-N 3.11Å
803S57.6Low60.4Low67 Ų67107.6 Ų107.647%0.46956%0.557SS.*Hα-helixtrans-78.3-32.9179.6-570000112.6K799 E800 A807K799-S803 WeakPolarHBondContact O-CB 3.49Å; K799-S803 PolarHBondContact O-N 3.08Å; K799-S803 PolarHBondContact O-OG 3.39Å; E800-S803 PolarHBondContact O-N 3.44Å; S803-A807 WeakPolarHBondContact O-CB 3.48Å; S803-A807 PolarHBondContact O-N 3.38Å
804Q51.2Low60.4Low97 Ų97106.8 Ų106.845%0.45355%0.554SS.*Hα-helixtrans-65.6-39-178.3-79.3176.66.200112.7E800 L808E800-Q804 HydrophobicContact CG-CG 4.15Å; E800-Q804 WeakPolarHBondContact O-CB 3.46Å; E800-Q804 WeakPolarHBondContact O-CG 3.41Å; E800-Q804 PolarHBondContact O-N 3.15Å; E800-Q804 PolarHBondContact OE1-NE2 3.26Å; Q804-L808 WeakPolarHBondContact O-CB 3Å; Q804-L808 WeakPolarHBondContact O-CD1 3.48Å; Q804-L808 PolarHBondContact O-N 3.29Å
805V52.7Low60.2Low116 Ų116104.5 Ų104.570%0.70354%0.544SS*.Hα-helixtrans-69-40.9-178.4177.50000112.1
806S55.3Low60.2Low86 Ų86102.2 Ų102.260%0.60154%0.535SS*.Hα-helixtrans-75.2-38178.6-128.50000112.1
807A50.2Low60.1Low35 Ų35101.9 Ų101.929%0.28954%0.54SS..Hα-helixtrans-72.1-28.8179.400000113.4S803 R811S803-A807 WeakPolarHBondContact O-CB 3.48Å; S803-A807 PolarHBondContact O-N 3.38Å; A807-R811 WeakPolarHBondContact O-CB 3.49Å; A807-R811 VanDerWaalsContact O-CG 3.22Å; A807-R811 WeakPolarHBondContact O-CG 3.43Å; A807-R811 PolarHBondContact O-N 3.48Å
808L58.6Low60.5Low92 Ų92101.6 Ų101.648%0.48254%0.538SS..Hα-helixtrans-62.8-41.5178.1-105.1149.4000112.1Q804 F812Q804-L808 WeakPolarHBondContact O-CB 3Å; Q804-L808 WeakPolarHBondContact O-CD1 3.48Å; Q804-L808 PolarHBondContact O-N 3.29Å; L808-F812 HydrophobicContact CD2-CD2 4.18Å; L808-F812 HydrophobicContact CD2-CE2 3.36Å; L808-F812 HydrophobicContact CD2-CZ 3.81Å; L808-F812 WeakPolarHBondContact O-CD2 3.46Å; L808-F812 PolarHBondContact O-N 3Å; L808-F812 VanDerWaalsContact O-N 3.13Å
809S57.1Low61.1Low84 Ų84101.6 Ų101.659%0.58754%0.541SS*.Hα-helixtrans-66.7-44.9-179.8179.20000112.6
810D58Low61.7Low118 Ų118103.6 Ų103.663%0.63154%0.544SS*.Hα-helixtrans-75.5-33.3179.6-71.5-20.6000111.9K813 S814D810-K813 PolarHBondContact O-N 3.02Å; D810-S814 PolarHBondContact O-N 2.98Å; D810-S814 VanDerWaalsContact O-N 3.15Å; D810-S814 PolarHBondContact O-OG 2.99Å
811R67.2Low62.4Low162 Ų162102.2 Ų102.261%0.61154%0.543SS*.Hα-helixtrans-60.2-49173.5-86.9-174.3-152.8-162.47111.8A807 K813 S814 E815A807-R811 WeakPolarHBondContact O-CB 3.49Å; A807-R811 VanDerWaalsContact O-CG 3.22Å; A807-R811 WeakPolarHBondContact O-CG 3.43Å; A807-R811 PolarHBondContact O-N 3.48Å; R811-K813 PolarHBondContact O-N 2.96Å; R811-K813 VanDerWaalsContact O-N 3.08Å; R811-S814 PolarHBondContact O-N 3.37Å; R811-S814 VanDerWaalsContact O-N 3.16Å; R811-S814 PolarHBondContact O-OG 2.97Å; R811-E815 WeakPolarHBondContact O-CA 3.42Å; R811-E815 WeakPolarHBondContact O-CB 3.39Å; R811-E815 PolarHBondContact O-N 3.48Å
812F60Low63Low129 Ų129100.5 Ų100.557%0.56654%0.54SS*.Hα-helixtrans-58.7-31.9-176.7-80.7-57.2000112.9L808 V816L808-F812 HydrophobicContact CD2-CD2 4.18Å; L808-F812 HydrophobicContact CD2-CE2 3.36Å; L808-F812 HydrophobicContact CD2-CZ 3.81Å; L808-F812 WeakPolarHBondContact O-CD2 3.46Å; L808-F812 PolarHBondContact O-N 3Å; L808-F812 VanDerWaalsContact O-N 3.13Å; F812-V816 WeakPolarHBondContact O-CG2 3.4Å
813K59.7Low64.1Low180 Ų18099.9 Ų99.978%0.78353%0.532SS*.Hα-helixtrans-78.4-37.8179.9-135.1175-175.1177.70112.8D810 R811D810-K813 PolarHBondContact O-N 3.02Å; R811-K813 PolarHBondContact O-N 2.96Å; R811-K813 VanDerWaalsContact O-N 3.08Å
814S67.3Low65.1Low58 Ų58100.5 Ų100.541%0.40654%0.537SS..Hα-helixtrans-76.6-35.1174.7700000112.4D810 R811 V816 A817 D818D810-S814 PolarHBondContact O-N 2.98Å; D810-S814 VanDerWaalsContact O-N 3.15Å; D810-S814 PolarHBondContact O-OG 2.99Å; R811-S814 PolarHBondContact O-N 3.37Å; R811-S814 VanDerWaalsContact O-N 3.16Å; R811-S814 PolarHBondContact O-OG 2.97Å; S814-V816 PolarHBondContact O-N 3.29Å; S814-A817 PolarHBondContact O-N 2.94Å; S814-A817 VanDerWaalsContact O-N 3.12Å; S814-D818 WeakPolarHBondContact O-CB 3.47Å; S814-D818 PolarHBondContact O-N 3.37Å
815E67.6Low66.3Low93 Ų93101 Ų10144%0.43554%0.537SS..Hα-helixtrans-65.6-36.9-176.2-167167.9-138.300111.3R811 A817 L819R811-E815 WeakPolarHBondContact O-CA 3.42Å; R811-E815 WeakPolarHBondContact O-CB 3.39Å; R811-E815 PolarHBondContact O-N 3.48Å; E815-A817 VanDerWaalsContact C-N 3.35Å; E815-A817 PolarHBondContact O-N 3.41Å; E815-L819 HydrophobicContact CG-CD1 4.15Å; E815-L819 HydrophobicContact CG-CG 4.41Å; E815-L819 WeakPolarHBondContact O-CB 3.33Å; E815-L819 WeakPolarHBondContact O-CD1 3.44Å; E815-L819 WeakPolarHBondContact O-CG 3.45Å; E815-L819 PolarHBondContact O-N 3Å
816V67.8Low67.3Low87 Ų8799 Ų9953%0.52753%0.526SS..Hα-helixtrans-66-35.6173.3174.30000112.5F812 S814 R820F812-V816 WeakPolarHBondContact O-CG2 3.4Å; S814-V816 PolarHBondContact O-N 3.29Å; V816-R820 PolarHBondContact O-N 3.47Å
817A66.8Low68.4Low62 Ų62103.1 Ų103.151%0.51253%0.528SS..Hα-helixtrans-75.4-43.3177.600000111.8S814 E815 R820 C821S814-A817 PolarHBondContact O-N 2.94Å; S814-A817 VanDerWaalsContact O-N 3.12Å; E815-A817 VanDerWaalsContact C-N 3.35Å; E815-A817 PolarHBondContact O-N 3.41Å; A817-R820 PolarHBondContact O-N 2.79Å; A817-C821 PolarHBondContact O-N 2.92Å
818D72.8Confident69.8Low90 Ų90107.3 Ų107.348%0.48154%0.541SS..Hα-helixtrans-65.6-37.9175.6-80.6-19.6000111.4S814 R820 C821 N822S814-D818 WeakPolarHBondContact O-CB 3.47Å; S814-D818 PolarHBondContact O-N 3.37Å; D818-R820 VanDerWaalsContact C-N 3.3Å; D818-R820 PolarHBondContact O-N 2.98Å; D818-C821 PolarHBondContact O-N 2.88Å; D818-N822 WeakPolarHBondContact O-CB 3.47Å; D818-N822 PolarHBondContact O-N 2.97Å; D818-N822 PolarHBondContact O-ND2 3.47Å
819L74.9Confident70.8Confident107 Ų107107.8 Ų107.856%0.5654%0.541SS*.Hα-helixtrans-61.7-37.1176.2-77.1169.3000112.1E815 L823E815-L819 HydrophobicContact CG-CD1 4.15Å; E815-L819 HydrophobicContact CG-CG 4.41Å; E815-L819 WeakPolarHBondContact O-CB 3.33Å; E815-L819 WeakPolarHBondContact O-CD1 3.44Å; E815-L819 WeakPolarHBondContact O-CG 3.45Å; E815-L819 PolarHBondContact O-N 3Å; L819-L823 VanDerWaalsContact O-CB 3.3Å; L819-L823 WeakPolarHBondContact O-CB 3.47Å; L819-L823 PolarHBondContact O-N 3.45Å
820R73.5Confident71.8Confident200 Ų200108.6 Ų108.676%0.75554%0.538SS*.Hα-helixtrans-66.8-41.8174-75.4-176.5-176.3175.21.9112.3V816 A817 D818 S824V816-R820 PolarHBondContact O-N 3.47Å; A817-R820 PolarHBondContact O-N 2.79Å; D818-R820 VanDerWaalsContact C-N 3.3Å; D818-R820 PolarHBondContact O-N 2.98Å; R820-S824 PolarHBondContact O-N 3.41Å
821C75.5Confident72.9Confident57 Ų57108.5 Ų108.539%0.38554%0.537SS..Hα-helixtrans-67.2-44.8176.5-174.60000111.5A817 D818 L823 S824 K825A817-C821 PolarHBondContact O-N 2.92Å; D818-C821 PolarHBondContact O-N 2.88Å; C821-L823 VanDerWaalsContact C-N 3.35Å; C821-L823 PolarHBondContact O-N 3.25Å; C821-S824 PolarHBondContact O-N 2.75Å; C821-K825 PolarHBondContact O-N 3.31Å
822N73.8Confident73.5Confident80 Ų80106.2 Ų106.243%0.42853%0.533SS..Hα-helixtrans-65.3-35.8178.2-71.7-24.7000111.6D818 S824 K825 T826D818-N822 WeakPolarHBondContact O-CB 3.47Å; D818-N822 PolarHBondContact O-N 2.97Å; D818-N822 PolarHBondContact O-ND2 3.47Å; N822-S824 VanDerWaalsContact C-N 3.31Å; N822-S824 PolarHBondContact O-N 3.5Å; N822-K825 PolarHBondContact O-N 3.19Å; N822-T826 WeakPolarHBondContact O-CB 3.45Å; N822-T826 PolarHBondContact O-N 3.4Å; N822-T826 PolarHBondContact O-OG1 3.27Å
823L78.8Confident74.3Confident98 Ų98104.6 Ų104.651%0.51353%0.533SS..Hα-helixtrans-62.2-39.2173.7-171.974.4000111.7L819 C821 T826 R827L819-L823 VanDerWaalsContact O-CB 3.3Å; L819-L823 WeakPolarHBondContact O-CB 3.47Å; L819-L823 PolarHBondContact O-N 3.45Å; C821-L823 VanDerWaalsContact C-N 3.35Å; C821-L823 PolarHBondContact O-N 3.25Å; L823-T826 VanDerWaalsContact CA-OG1 3.26Å; L823-T826 WeakPolarHBondContact CA-OG1 3.34Å; L823-T826 PolarHBondContact O-OG1 3.18Å; L823-T826 VanDerWaalsContact O-OG1 3.13Å; L823-R827 WeakPolarHBondContact O-CG 3.25Å; L823-R827 PolarHBondContact O-N 3Å; L823-R827 VanDerWaalsContact O-N 3.16Å
824S77.6Confident75.3Confident80 Ų80101.1 Ų101.156%0.55952%0.52SS*.Hα-helixtrans-69.7-44.9176.5-160.80000111.7R820 C821 N822 R827 E828R820-S824 PolarHBondContact O-N 3.41Å; C821-S824 PolarHBondContact O-N 2.75Å; N822-S824 VanDerWaalsContact C-N 3.31Å; N822-S824 PolarHBondContact O-N 3.5Å; S824-R827 WeakPolarHBondContact O-CB 3.45Å; S824-R827 PolarHBondContact O-N 3.45Å; S824-E828 PolarHBondContact O-N 3.42Å
825K78.3Confident76Confident107 Ų107104 Ų10447%0.46553%0.527SS..Hα-helixtrans-66.6-36.4176.5-71.2-179.6179.7177.60112.9C821 N822 R827 E828 H829C821-K825 PolarHBondContact O-N 3.31Å; N822-K825 PolarHBondContact O-N 3.19Å; K825-R827 VanDerWaalsContact C-N 3.31Å; K825-R827 PolarHBondContact O-N 3.05Å; K825-E828 PolarHBondContact O-N 2.99Å; K825-H829 WeakPolarHBondContact O-CB 3.45Å; K825-H829 PolarHBondContact O-CD2 3.39Å; K825-H829 PolarHBondContact O-N 3.38Å
826T73.8Confident76.6Confident75 Ų75102.1 Ų102.146%0.4652%0.524SS..Hα-helixtrans-66.5-34.6174.835.10000111.3N822 L823 L830N822-T826 WeakPolarHBondContact O-CB 3.45Å; N822-T826 PolarHBondContact O-N 3.4Å; N822-T826 PolarHBondContact O-OG1 3.27Å; L823-T826 VanDerWaalsContact CA-OG1 3.26Å; L823-T826 WeakPolarHBondContact CA-OG1 3.34Å; L823-T826 PolarHBondContact O-OG1 3.18Å; L823-T826 VanDerWaalsContact O-OG1 3.13Å; T826-L830 VanDerWaalsContact O-CB 3.29Å; T826-L830 WeakPolarHBondContact O-CB 3.46Å; T826-L830 PolarHBondContact O-N 3.04Å
827R77.6Confident77.4Confident172 Ų172103.5 Ų103.565%0.64953%0.528SS*.Hα-helixtrans-63.7-40.5172-75.6174.2174.7180-2112.5L823 S824 K825 L830 L831L823-R827 WeakPolarHBondContact O-CG 3.25Å; L823-R827 PolarHBondContact O-N 3Å; L823-R827 VanDerWaalsContact O-N 3.16Å; S824-R827 WeakPolarHBondContact O-CB 3.45Å; S824-R827 PolarHBondContact O-N 3.45Å; K825-R827 VanDerWaalsContact C-N 3.31Å; K825-R827 PolarHBondContact O-N 3.05Å; R827-L830 PolarHBondContact O-N 3.27Å; R827-L831 PolarHBondContact O-N 3.44Å
828E78.7Confident78.4Confident122 Ų122106.7 Ų106.757%0.5753%0.53SS*.Hα-helixtrans-68-46.6175.8-172174.3-164.500112S824 K825 L830 L831 E832S824-E828 PolarHBondContact O-N 3.42Å; K825-E828 PolarHBondContact O-N 2.99Å; E828-L830 VanDerWaalsContact C-N 3.27Å; E828-L830 PolarHBondContact O-N 3.29Å; E828-L831 WeakPolarHBondContact O-CB 3.5Å; E828-L831 PolarHBondContact O-N 2.88Å; E828-L831 VanDerWaalsContact O-N 3.16Å; E828-E832 PolarHBondContact O-N 3.36Å
829H80Confident79Confident103 Ų103106.2 Ų106.248%0.47753%0.531SS..Hα-helixtrans-63.8-30.7174-74-50.3000113K825 L831 E832 V833K825-H829 WeakPolarHBondContact O-CB 3.45Å; K825-H829 PolarHBondContact O-CD2 3.39Å; K825-H829 PolarHBondContact O-N 3.38Å; H829-L831 VanDerWaalsContact C-N 3.34Å; H829-E832 IonicContact CE1-OE2 2.97Å; H829-E832 IonicContact ND1-OE2 3.05Å; H829-E832 PolarHBondContact ND1-OE2 2.93Å; H829-E832 PolarHBondContact O-N 3.32Å; H829-V833 VanDerWaalsContact O-CB 3.28Å; H829-V833 WeakPolarHBondContact O-CB 3.41Å; H829-V833 WeakPolarHBondContact O-CG2 3.47Å; H829-V833 PolarHBondContact O-N 3.02Å
830L79.1Confident79.5Confident100 Ų100107.5 Ų107.552%0.52453%0.532SS..Hα-helixtrans-63.6-43.2174.3-129.6147.4000110.4T826 R827 E828 V833 E834T826-L830 VanDerWaalsContact O-CB 3.29Å; T826-L830 WeakPolarHBondContact O-CB 3.46Å; T826-L830 PolarHBondContact O-N 3.04Å; R827-L830 PolarHBondContact O-N 3.27Å; E828-L830 VanDerWaalsContact C-N 3.27Å; E828-L830 PolarHBondContact O-N 3.29Å; L830-V833 PolarHBondContact O-N 2.95Å; L830-E834 HydrophobicContact CD2-CG 4.25Å; L830-E834 WeakPolarHBondContact CD2-OE1 3.34Å; L830-E834 WeakPolarHBondContact O-CB 3.36Å; L830-E834 VanDerWaalsContact O-CG 3.26Å; L830-E834 WeakPolarHBondContact O-CG 3.43Å; L830-E834 PolarHBondContact O-N 2.91Å
831L79.5Confident80.1Confident116 Ų116102.4 Ų102.461%0.60752%0.519SS*.Hα-helixtrans-64.5-42.4174.9-68.5169.2000112R827 E828 H829 E834 E835R827-L831 PolarHBondContact O-N 3.44Å; E828-L831 WeakPolarHBondContact O-CB 3.5Å; E828-L831 PolarHBondContact O-N 2.88Å; E828-L831 VanDerWaalsContact O-N 3.16Å; H829-L831 VanDerWaalsContact C-N 3.34Å; L831-E834 PolarHBondContact O-N 3.07Å; L831-E835 PolarHBondContact O-N 3.37Å
832E80.2Confident80.6Confident115 Ų115103.8 Ų103.854%0.53752%0.523SS..Hα-helixtrans-63.9-39.6174.3-76.1-177146.800112.7E828 H829 E835 S836E828-E832 PolarHBondContact O-N 3.36Å; H829-E832 IonicContact CE1-OE2 2.97Å; H829-E832 IonicContact ND1-OE2 3.05Å; H829-E832 PolarHBondContact ND1-OE2 2.93Å; H829-E832 PolarHBondContact O-N 3.32Å; E832-E835 PolarHBondContact O-N 2.99Å; E832-S836 VanDerWaalsContact O-CB 3.26Å; E832-S836 WeakPolarHBondContact O-CB 3.41Å; E832-S836 PolarHBondContact O-N 3.07Å
833V76.7Confident81.1Confident94 Ų94103.6 Ų103.657%0.5752%0.524SS*.Hα-helixtrans-70.1-37.4177.4169.30000110.6H829 L830 S836 L837H829-V833 VanDerWaalsContact O-CB 3.28Å; H829-V833 WeakPolarHBondContact O-CB 3.41Å; H829-V833 WeakPolarHBondContact O-CG2 3.47Å; H829-V833 PolarHBondContact O-N 3.02Å; L830-V833 PolarHBondContact O-N 2.95Å; V833-S836 PolarHBondContact O-N 3.23Å; V833-L837 WeakPolarHBondContact O-CA 3.45Å; V833-L837 WeakPolarHBondContact O-CB 3.4Å; V833-L837 PolarHBondContact O-N 3.48Å
834E81.2Confident81.4Confident107 Ų107102.5 Ų102.550%0.552%0.522SS..Hα-helixtrans-62.5-44.1173.4-78.1174.2171.400111.4L830 L831 L837 K838L830-E834 HydrophobicContact CD2-CG 4.25Å; L830-E834 WeakPolarHBondContact CD2-OE1 3.34Å; L830-E834 WeakPolarHBondContact O-CB 3.36Å; L830-E834 VanDerWaalsContact O-CG 3.26Å; L830-E834 WeakPolarHBondContact O-CG 3.43Å; L830-E834 PolarHBondContact O-N 2.91Å; L831-E834 PolarHBondContact O-N 3.07Å; E834-L837 PolarHBondContact O-N 3.03Å; E834-K838 WeakPolarHBondContact O-CB 3.47Å; E834-K838 PolarHBondContact O-N 2.89Å
835E81.9Confident81.9Confident119 Ų119103.2 Ų103.256%0.55652%0.519SS*.Hα-helixtrans-65-44.8174.3-16574.7-146.300111.2L831 E832 L837 K838 V839L831-E835 PolarHBondContact O-N 3.37Å; E832-E835 PolarHBondContact O-N 2.99Å; E835-L837 VanDerWaalsContact C-N 3.35Å; E835-L837 PolarHBondContact O-N 3.28Å; E835-K838 WeakPolarHBondContact O-CB 3.4Å; E835-K838 PolarHBondContact O-N 3.39Å; E835-V839 WeakPolarHBondContact O-CG2 3.4Å; E835-V839 PolarHBondContact O-N 2.91Å
836S81Confident82.2Confident53 Ų53101.6 Ų101.637%0.37152%0.521SS..Hα-helixtrans-65.2-37177.1-170.50000112.3E832 V833 K838 V839 K840E832-S836 VanDerWaalsContact O-CB 3.26Å; E832-S836 WeakPolarHBondContact O-CB 3.41Å; E832-S836 PolarHBondContact O-N 3.07Å; V833-S836 PolarHBondContact O-N 3.23Å; S836-K838 VanDerWaalsContact C-N 3.35Å; S836-V839 PolarHBondContact O-N 3.45Å; S836-K840 WeakPolarHBondContact O-CB 3.46Å; S836-K840 VanDerWaalsContact O-CG 3.31Å; S836-K840 WeakPolarHBondContact O-CG 3.47Å; S836-K840 PolarHBondContact O-N 3.38Å
837L84.4Confident82.6Confident116 Ų116103 Ų10361%0.60753%0.525SS*.Hα-helixtrans-65.5-41.1175.2-175.872.6000110.1V833 E834 E835 K840 N841V833-L837 WeakPolarHBondContact O-CA 3.45Å; V833-L837 WeakPolarHBondContact O-CB 3.4Å; V833-L837 PolarHBondContact O-N 3.48Å; E834-L837 PolarHBondContact O-N 3.03Å; E835-L837 VanDerWaalsContact C-N 3.35Å; E835-L837 PolarHBondContact O-N 3.28Å; L837-K840 PolarHBondContact O-N 3.35Å; L837-N841 VanDerWaalsContact O-CB 3.25Å; L837-N841 WeakPolarHBondContact O-CB 3.33Å; L837-N841 PolarHBondContact O-N 3.33Å
838K86.4Confident83Confident129 Ų129100.1 Ų100.156%0.56152%0.519SS*.Hα-helixtrans-60.9-48.6174.7-169.7-178.1176.7-169.30111.5E834 E835 S836 K840 N841 D842E834-K838 WeakPolarHBondContact O-CB 3.47Å; E834-K838 PolarHBondContact O-N 2.89Å; E835-K838 WeakPolarHBondContact O-CB 3.4Å; E835-K838 PolarHBondContact O-N 3.39Å; S836-K838 VanDerWaalsContact C-N 3.35Å; K838-K840 PolarHBondContact O-N 3.24Å; K838-N841 WeakPolarHBondContact O-CB 3.45Å; K838-N841 PolarHBondContact O-N 2.98Å; K838-N841 VanDerWaalsContact O-N 3.16Å; K838-D842 PolarHBondContact O-N 3.45Å
839V86Confident83.3Confident81 Ų8197.3 Ų97.349%0.49151%0.513SS..Hα-helixtrans-60.9-44.1175.1174.20000111.6E835 S836 N841 D842 V843E835-V839 WeakPolarHBondContact O-CG2 3.4Å; E835-V839 PolarHBondContact O-N 2.91Å; S836-V839 PolarHBondContact O-N 3.45Å; V839-N841 VanDerWaalsContact C-N 3.3Å; V839-N841 PolarHBondContact O-N 3.33Å; V839-D842 PolarHBondContact O-N 3.19Å; V839-V843 WeakPolarHBondContact O-CG2 3.39Å; V839-V843 PolarHBondContact O-N 2.96Å
840K84.6Confident83.5Confident134 Ų13495.5 Ų95.558%0.58351%0.509SS*.Hα-helixtrans-64.4-35.9176.3-78179.8-178.5175.20112S836 L837 K838 V843 V844S836-K840 WeakPolarHBondContact O-CB 3.46Å; S836-K840 VanDerWaalsContact O-CG 3.31Å; S836-K840 WeakPolarHBondContact O-CG 3.47Å; S836-K840 PolarHBondContact O-N 3.38Å; L837-K840 PolarHBondContact O-N 3.35Å; K838-K840 PolarHBondContact O-N 3.24Å; K840-V843 PolarHBondContact O-N 3.03Å; K840-V844 VanDerWaalsContact O-CG2 3.29Å; K840-V844 WeakPolarHBondContact O-CG2 3.45Å; K840-V844 PolarHBondContact O-N 3.41Å
841N87.5Confident83.9Confident92 Ų9295.1 Ų95.149%0.49251%0.508SS..Hα-helixtrans-65.9-40.4176.3-161.948000110.9L837 K838 V839 V843 V844 L845L837-N841 VanDerWaalsContact O-CB 3.25Å; L837-N841 WeakPolarHBondContact O-CB 3.33Å; L837-N841 PolarHBondContact O-N 3.33Å; K838-N841 WeakPolarHBondContact O-CB 3.45Å; K838-N841 PolarHBondContact O-N 2.98Å; K838-N841 VanDerWaalsContact O-N 3.16Å; V839-N841 VanDerWaalsContact C-N 3.3Å; V839-N841 PolarHBondContact O-N 3.33Å; N841-V843 VanDerWaalsContact C-N 3.33Å; N841-V843 PolarHBondContact O-N 3.23Å; N841-V844 PolarHBondContact O-N 2.84Å; N841-L845 VanDerWaalsContact O-CG 3.31Å; N841-L845 WeakPolarHBondContact O-CG 3.08Å; N841-L845 PolarHBondContact O-N 3.13Å
842D85.1Confident84.3Confident86 Ų8693.4 Ų93.446%0.4650%0.499SS..Hα-helixtrans-63.5-38.4173.2-65.8-23000112K838 V839 L845 S846K838-D842 PolarHBondContact O-N 3.45Å; V839-D842 PolarHBondContact O-N 3.19Å; D842-L845 PolarHBondContact O-N 3.41Å; D842-S846 WeakPolarHBondContact O-CB 3.48Å; D842-S846 PolarHBondContact O-N 2.99Å; D842-S846 PolarHBondContact O-OG 3.36Å
843V84.3Confident84.6Confident76 Ų7693.2 Ų93.246%0.46150%0.498SS..Hα-helixtrans-66.3-41.4173173.50000111.5V839 K840 N841 S846 L847V839-V843 WeakPolarHBondContact O-CG2 3.39Å; V839-V843 PolarHBondContact O-N 2.96Å; K840-V843 PolarHBondContact O-N 3.03Å; N841-V843 VanDerWaalsContact C-N 3.33Å; N841-V843 PolarHBondContact O-N 3.23Å; V843-S846 WeakPolarHBondContact O-CB 3.46Å; V843-S846 PolarHBondContact O-N 3.41Å; V843-L847 HydrophobicContact CG1-CD1 4Å; V843-L847 HydrophobicContact CG1-CG 4.37Å; V843-L847 WeakPolarHBondContact O-CB 3.48Å; V843-L847 WeakPolarHBondContact O-CG 3.37Å; V843-L847 PolarHBondContact O-N 2.8Å
844V86.1Confident85Confident76 Ų7693.9 Ų93.946%0.46150%0.498SS..Hα-helixtrans-63.5-42.9176.2167.70000110.8K840 N841 S846 L847 Q848K840-V844 VanDerWaalsContact O-CG2 3.29Å; K840-V844 WeakPolarHBondContact O-CG2 3.45Å; K840-V844 PolarHBondContact O-N 3.41Å; N841-V844 PolarHBondContact O-N 2.84Å; V844-S846 VanDerWaalsContact C-N 3.3Å; V844-S846 PolarHBondContact O-N 2.98Å; V844-L847 PolarHBondContact O-N 3.15Å; V844-Q848 VanDerWaalsContact O-CB 3.3Å; V844-Q848 WeakPolarHBondContact O-CB 3.42Å; V844-Q848 PolarHBondContact O-N 3.32Å
845L87.2Confident85.3Confident94 Ų9494.6 Ų94.649%0.49250%0.501SS..Hα-helixtrans-61.7-39.9174.4-70.4172.2000111.6N841 D842 Q848 S849N841-L845 VanDerWaalsContact O-CG 3.31Å; N841-L845 WeakPolarHBondContact O-CG 3.08Å; N841-L845 PolarHBondContact O-N 3.13Å; D842-L845 PolarHBondContact O-N 3.41Å; L845-Q848 PolarHBondContact O-N 2.89Å; L845-S849 PolarHBondContact O-N 3.39Å
846S84.4Confident85.5Confident73 Ų7394.5 Ų94.551%0.5151%0.505SS..Hα-helixtrans-64.8-45175-560000111.8D842 V843 V844 Q848 S849 T850D842-S846 WeakPolarHBondContact O-CB 3.48Å; D842-S846 PolarHBondContact O-N 2.99Å; D842-S846 PolarHBondContact O-OG 3.36Å; V843-S846 WeakPolarHBondContact O-CB 3.46Å; V843-S846 PolarHBondContact O-N 3.41Å; V844-S846 VanDerWaalsContact C-N 3.3Å; V844-S846 PolarHBondContact O-N 2.98Å; S846-Q848 VanDerWaalsContact C-N 3.34Å; S846-Q848 PolarHBondContact O-N 3.36Å; S846-S849 WeakPolarHBondContact O-CB 3.37Å; S846-S849 PolarHBondContact O-N 3.28Å; S846-T850 WeakPolarHBondContact O-CG2 3.4Å; S846-T850 PolarHBondContact O-N 3Å; S846-T850 PolarHBondContact O-OG1 2.86Å
847L82.5Confident85.7Confident106 Ų10698.3 Ų98.356%0.55551%0.514SS*.Hα-helixtrans-65.8-35.3176.2-76.6171.5000112.3V843 V844 T850 N851V843-L847 HydrophobicContact CG1-CD1 4Å; V843-L847 HydrophobicContact CG1-CG 4.37Å; V843-L847 WeakPolarHBondContact O-CB 3.48Å; V843-L847 WeakPolarHBondContact O-CG 3.37Å; V843-L847 PolarHBondContact O-N 2.8Å; V844-L847 PolarHBondContact O-N 3.15Å; L847-T850 WeakPolarHBondContact CA-OG1 3.25Å; L847-T850 PolarHBondContact O-N 3.1Å; L847-T850 PolarHBondContact O-OG1 3.49Å; L847-N851 VanDerWaalsContact O-CB 3.24Å; L847-N851 WeakPolarHBondContact O-CB 3.38Å; L847-N851 PolarHBondContact O-N 3.26Å
848Q86.7Confident85.8Confident110 Ų11098.1 Ų98.151%0.51451%0.513SS..Hα-helixtrans-68.4-39.1175.2-167.3168.12.200110.7V844 L845 S846 N851 N852V844-Q848 VanDerWaalsContact O-CB 3.3Å; V844-Q848 WeakPolarHBondContact O-CB 3.42Å; V844-Q848 PolarHBondContact O-N 3.32Å; L845-Q848 PolarHBondContact O-N 2.89Å; S846-Q848 VanDerWaalsContact C-N 3.34Å; S846-Q848 PolarHBondContact O-N 3.36Å; Q848-N851 PolarHBondContact O-N 3.49Å; Q848-N852 WeakPolarHBondContact O-CB 3.25Å; Q848-N852 PolarHBondContact O-N 3.41Å; Q848-N852 PolarHBondContact O-ND2 3.12Å; Q848-N852 PolarHBondContact O-OD1 3.45Å
849S85.3Confident85.8Confident63 Ų6395.2 Ų95.244%0.44151%0.51SS..Hα-helixtrans-63.2-41.8171.5-175.10000112.6L845 S846 Q853L845-S849 PolarHBondContact O-N 3.39Å; S846-S849 WeakPolarHBondContact O-CB 3.37Å; S846-S849 PolarHBondContact O-N 3.28Å; S849-Q853 WeakPolarHBondContact O-CG 3.27Å; S849-Q853 PolarHBondContact O-N 2.98Å; S849-Q853 VanDerWaalsContact O-N 3.14Å
850T83.7Confident85.8Confident65 Ų6597.5 Ų97.540%0.39952%0.518SS..Hα-helixtrans-71.4-36.1177.558.40000112S846 L847 Q853 L854S846-T850 WeakPolarHBondContact O-CG2 3.4Å; S846-T850 PolarHBondContact O-N 3Å; S846-T850 PolarHBondContact O-OG1 2.86Å; L847-T850 WeakPolarHBondContact CA-OG1 3.25Å; L847-T850 PolarHBondContact O-N 3.1Å; L847-T850 PolarHBondContact O-OG1 3.49Å; T850-Q853 PolarHBondContact O-N 3.3Å; T850-L854 WeakPolarHBondContact O-CG 3.46Å; T850-L854 PolarHBondContact O-N 3.11Å
851N87.5Confident85.7Confident92 Ų9295.1 Ų95.149%0.49252%0.515SS..Hα-helixtrans-62.6-44.5174.5-168.365.5000111.2L847 Q848 Q853 L854 E855L847-N851 VanDerWaalsContact O-CB 3.24Å; L847-N851 WeakPolarHBondContact O-CB 3.38Å; L847-N851 PolarHBondContact O-N 3.26Å; Q848-N851 PolarHBondContact O-N 3.49Å; N851-Q853 VanDerWaalsContact C-N 3.33Å; N851-Q853 PolarHBondContact O-N 3.42Å; N851-L854 PolarHBondContact O-N 2.99Å; N851-L854 VanDerWaalsContact O-N 3.14Å; N851-E855 WeakPolarHBondContact O-CB 3.37Å; N851-E855 PolarHBondContact O-N 3.45Å
852N88.5Confident85.7Confident80 Ų8095.4 Ų95.443%0.42851%0.514SS..Hα-helixtrans-59.7-42.1174.3-66.8-10.5000111.6Q848 L854 E855 D856Q848-N852 WeakPolarHBondContact O-CB 3.25Å; Q848-N852 PolarHBondContact O-N 3.41Å; Q848-N852 PolarHBondContact O-ND2 3.12Å; Q848-N852 PolarHBondContact O-OD1 3.45Å; N852-L854 VanDerWaalsContact C-N 3.34Å; N852-L854 PolarHBondContact O-N 3.38Å; N852-E855 PolarHBondContact O-N 3Å; N852-D856 PolarHBondContact O-N 3.24Å
853Q85.3Confident85.7Confident111 Ų11195.1 Ų95.152%0.51952%0.515SS..Hα-helixtrans-63.9-35.6175-74.7179.70.400113.4S849 T850 N851 K857S849-Q853 WeakPolarHBondContact O-CG 3.27Å; S849-Q853 PolarHBondContact O-N 2.98Å; S849-Q853 VanDerWaalsContact O-N 3.14Å; T850-Q853 PolarHBondContact O-N 3.3Å; N851-Q853 VanDerWaalsContact C-N 3.33Å; N851-Q853 PolarHBondContact O-N 3.42Å; Q853-K857 WeakPolarHBondContact O-CG 3.46Å; Q853-K857 PolarHBondContact O-N 3.38Å; Q853-K857 VanDerWaalsContact O-N 3.08Å
854L85.5Confident85.8Confident108 Ų10894.8 Ų94.857%0.56552%0.516SS*.Hα-helixtrans-70.8-37.3175.7-72.1172.6000111.4T850 N851 N852 K857 L858T850-L854 WeakPolarHBondContact O-CG 3.46Å; T850-L854 PolarHBondContact O-N 3.11Å; N851-L854 PolarHBondContact O-N 2.99Å; N851-L854 VanDerWaalsContact O-N 3.14Å; N852-L854 VanDerWaalsContact C-N 3.34Å; N852-L854 PolarHBondContact O-N 3.38Å; L854-K857 PolarHBondContact O-N 2.84Å; L854-L858 WeakPolarHBondContact O-CB 3.41Å; L854-L858 PolarHBondContact O-N 3.34Å
855E86.9Confident85.7Confident122 Ų12298.3 Ų98.357%0.5752%0.522SS*.Hα-helixtrans-65.4-41.4176.7-151.4164.8-159.100111.2N851 N852 L858 S859N851-E855 WeakPolarHBondContact O-CB 3.37Å; N851-E855 PolarHBondContact O-N 3.45Å; N852-E855 PolarHBondContact O-N 3Å; E855-L858 PolarHBondContact O-N 3.34Å; E855-S859 PolarHBondContact O-N 2.94Å
856D86.6Confident85.7Confident117 Ų11798.9 Ų98.963%0.62652%0.52SS*.Hα-helixtrans-62.5-44.4172-72.2-23.2000112N852 S859 L860N852-D856 PolarHBondContact O-N 3.24Å; D856-S859 PolarHBondContact O-N 2.74Å; D856-L860 PolarHBondContact O-N 2.89Å
857K85.2Confident85.8Confident133 Ų133101.4 Ų101.458%0.57853%0.528SS*.Hα-helixtrans-63-41.9175.4-77.6178.2-179178.90111.9Q853 L854 S859 L860 T861Q853-K857 WeakPolarHBondContact O-CG 3.46Å; Q853-K857 PolarHBondContact O-N 3.38Å; Q853-K857 VanDerWaalsContact O-N 3.08Å; L854-K857 PolarHBondContact O-N 2.84Å; K857-S859 VanDerWaalsContact C-N 3.34Å; K857-L860 PolarHBondContact O-N 2.84Å; K857-T861 WeakPolarHBondContact O-CG2 3.25Å; K857-T861 PolarHBondContact O-N 3.44Å; K857-T861 PolarHBondContact O-OG1 3.44Å
858L86.5Confident86Confident112 Ų112103.3 Ų103.359%0.58653%0.531SS*.Hα-helixtrans-61-45.6177-169.379000110.3L854 E855 L860 T861 E862L854-L858 WeakPolarHBondContact O-CB 3.41Å; L854-L858 PolarHBondContact O-N 3.34Å; E855-L858 PolarHBondContact O-N 3.34Å; L858-L860 VanDerWaalsContact C-N 3.33Å; L858-L860 PolarHBondContact O-N 2.86Å; L858-T861 WeakPolarHBondContact CA-OG1 3.36Å; L858-T861 PolarHBondContact O-N 3.33Å; L858-T861 VanDerWaalsContact O-N 3.14Å; L858-T861 PolarHBondContact O-OG1 2.84Å; L858-E862 PolarHBondContact O-N 3.37Å
859S85.6Confident85.8Confident69 Ų69102.7 Ų102.748%0.48353%0.529SS..Hα-helixtrans-60.1-40.5176.1-162.50000112.5E855 D856 K857 E862 T863E855-S859 PolarHBondContact O-N 2.94Å; D856-S859 PolarHBondContact O-N 2.74Å; K857-S859 VanDerWaalsContact C-N 3.34Å; S859-E862 PolarHBondContact O-N 3.39Å; S859-T863 WeakPolarHBondContact O-CG2 3.43Å; S859-T863 PolarHBondContact O-N 2.93Å; S859-T863 PolarHBondContact O-OG1 3.46Å
860L85.9Confident85.9Confident128 Ų128107.2 Ų107.267%0.6754%0.54SS*.Hα-helixtrans-64.8-40.7174.4-163.278000112D856 K857 L858 T863 S864D856-L860 PolarHBondContact O-N 2.89Å; K857-L860 PolarHBondContact O-N 2.84Å; L858-L860 VanDerWaalsContact C-N 3.33Å; L858-L860 PolarHBondContact O-N 2.86Å; L860-T863 WeakPolarHBondContact CA-OG1 3.39Å; L860-T863 PolarHBondContact O-OG1 3.39Å; L860-S864 WeakPolarHBondContact O-CB 3.48Å; L860-S864 PolarHBondContact O-N 2.92Å
861T82.6Confident86.1Confident84 Ų84107.8 Ų107.852%0.51554%0.538SS..Hα-helixtrans-68.8-37.7176.955.90000112.7K857 L858 S864 Y865K857-T861 WeakPolarHBondContact O-CG2 3.25Å; K857-T861 PolarHBondContact O-N 3.44Å; K857-T861 PolarHBondContact O-OG1 3.44Å; L858-T861 WeakPolarHBondContact CA-OG1 3.36Å; L858-T861 PolarHBondContact O-N 3.33Å; L858-T861 VanDerWaalsContact O-N 3.14Å; L858-T861 PolarHBondContact O-OG1 2.84Å; T861-S864 PolarHBondContact O-N 2.9Å; T861-Y865 WeakPolarHBondContact O-CB 3.48Å; T861-Y865 PolarHBondContact O-N 3.36Å
862E87.4Confident85.9Confident99 Ų99107.6 Ų107.646%0.46354%0.541SS..Hα-helixtrans-68-38.4178.3-162.9-171.6153.800111.6L858 S859 Y865 K866L858-E862 PolarHBondContact O-N 3.37Å; S859-E862 PolarHBondContact O-N 3.39Å; E862-Y865 PolarHBondContact O-N 3.34Å; E862-K866 WeakPolarHBondContact O-CG 3.26Å; E862-K866 PolarHBondContact O-N 3.21Å; E862-K866 WeakPolarHBondContact OE1-CE 3.43Å; E862-K866 IonicContact OE1-NZ 2.78Å; E862-K866 PolarHBondContact OE1-NZ 3.27Å
863T85.9Confident85.7Confident79 Ų79107.4 Ų107.449%0.48555%0.545SS..Hα-helixtrans-66.7-40.9173.550.50000112S859 L860 K866 L867S859-T863 WeakPolarHBondContact O-CG2 3.43Å; S859-T863 PolarHBondContact O-N 2.93Å; S859-T863 PolarHBondContact O-OG1 3.46Å; L860-T863 WeakPolarHBondContact CA-OG1 3.39Å; L860-T863 PolarHBondContact O-OG1 3.39Å; T863-K866 PolarHBondContact O-N 3.19Å; T863-L867 PolarHBondContact O-N 2.94Å; T863-L867 VanDerWaalsContact O-N 3.09Å
864S87.2Confident86Confident69 Ų69107.9 Ų107.948%0.48354%0.542SS..Hα-helixtrans-61.3-43.7172.4177.30000112.4L860 T861 L867 K868L860-S864 WeakPolarHBondContact O-CB 3.48Å; L860-S864 PolarHBondContact O-N 2.92Å; T861-S864 PolarHBondContact O-N 2.9Å; S864-L867 PolarHBondContact O-N 3.47Å; S864-K868 PolarHBondContact O-N 2.98Å
865Y84.2Confident85.8Confident151 Ų151106.3 Ų106.359%0.59253%0.533SS*.Hα-helixtrans-59.6-48.9175.8173.6-94.2000111.7T861 E862 L867 K868 E869T861-Y865 WeakPolarHBondContact O-CB 3.48Å; T861-Y865 PolarHBondContact O-N 3.36Å; E862-Y865 PolarHBondContact O-N 3.34Å; Y865-L867 PolarHBondContact O-N 3.38Å; Y865-K868 PolarHBondContact O-N 3.24Å; Y865-K868 VanDerWaalsContact O-N 3.12Å; Y865-E869 PolarHBondContact O-N 2.87Å
866K87.2Confident85.7Confident105 Ų105104 Ų10446%0.45753%0.528SS..Hα-helixtrans-61-31.3177.1-74.7176.9-175.81600112.9E862 T863 K870E862-K866 WeakPolarHBondContact O-CG 3.26Å; E862-K866 PolarHBondContact O-N 3.21Å; E862-K866 WeakPolarHBondContact OE1-CE 3.43Å; E862-K866 IonicContact OE1-NZ 2.78Å; E862-K866 PolarHBondContact OE1-NZ 3.27Å; T863-K866 PolarHBondContact O-N 3.19Å; K866-K870 WeakPolarHBondContact O-CG 3.5Å; K866-K870 PolarHBondContact O-N 2.84Å
867L86.4Confident85.8Confident127 Ų127101.7 Ų101.767%0.66552%0.521SS*.Hα-helixtrans-73.1-38.4177-149.2139.3000111.2T863 S864 Y865 E871T863-L867 PolarHBondContact O-N 2.94Å; T863-L867 VanDerWaalsContact O-N 3.09Å; S864-L867 PolarHBondContact O-N 3.47Å; Y865-L867 PolarHBondContact O-N 3.38Å; L867-E871 PolarHBondContact O-N 3.49Å
868K85.2Confident85.8Confident145 Ų14599.6 Ų99.663%0.6351%0.513SS*.Hα-helixtrans-68.1-39.3172.2-71.4-67-177.3-178.10112.7S864 Y865 K870 E871 V872S864-K868 PolarHBondContact O-N 2.98Å; Y865-K868 PolarHBondContact O-N 3.24Å; Y865-K868 VanDerWaalsContact O-N 3.12Å; K868-K870 VanDerWaalsContact C-N 3.34Å; K868-K870 PolarHBondContact O-N 3.31Å; K868-E871 PolarHBondContact O-N 3.04Å; K868-V872 WeakPolarHBondContact O-CG2 3.49Å; K868-V872 PolarHBondContact O-N 3.45Å
869E84Confident85.7Confident97 Ų9798.6 Ų98.645%0.45351%0.507SS..Hα-helixtrans-59.6-44.3175.2-170.7-179.8-171.500111.4Y865 E871 V872 C873Y865-E869 PolarHBondContact O-N 2.87Å; E869-E871 VanDerWaalsContact C-N 3.33Å; E869-E871 PolarHBondContact O-N 3.28Å; E869-V872 PolarHBondContact O-N 3.04Å; E869-C873 PolarHBondContact O-N 3.07Å; E869-C873 PolarHBondContact O-SG 3.15Å; E869-C873 VanDerWaalsContact O-SG 3.39Å
870K87.3Confident85.7Confident158 Ų158100.1 Ų100.169%0.68751%0.509SS*.Hα-helixtrans-60.5-39.9173.5-75.4179.6179.6-177.60113.1K866 K868 C873 R874K866-K870 WeakPolarHBondContact O-CG 3.5Å; K866-K870 PolarHBondContact O-N 2.84Å; K868-K870 VanDerWaalsContact C-N 3.34Å; K868-K870 PolarHBondContact O-N 3.31Å; K870-C873 PolarHBondContact O-N 2.85Å; K870-R874 PolarHBondContact O-N 3.04Å
871E87.4Confident85.7Confident77 Ų77100.3 Ų100.336%0.3651%0.506SS..Hα-helixtrans-67.9-39.3177.7-177.460.8-173.600111.9L867 K868 E869 R874 L875L867-E871 PolarHBondContact O-N 3.49Å; K868-E871 PolarHBondContact O-N 3.04Å; E869-E871 VanDerWaalsContact C-N 3.33Å; E869-E871 PolarHBondContact O-N 3.28Å; E871-R874 WeakPolarHBondContact O-CB 3.4Å; E871-R874 PolarHBondContact O-N 3.37Å; E871-R874 IonicContact OE1-CZ 2.68Å; E871-R874 IonicContact OE1-NE 2.92Å; E871-R874 PolarHBondContact OE1-NE 3.49Å; E871-R874 IonicContact OE1-NH2 3.38Å; E871-R874 PolarHBondContact OE1-NH2 3.06Å; E871-R874 IonicContact OE2-CZ 3.46Å; E871-R874 IonicContact OE2-NE 3.79Å; E871-R874 PolarHBondContact OE2-NE 3.02Å; E871-R874 IonicContact OE2-NH2 3.55Å; E871-L875 HydrophobicContact CG-CD1 4.44Å; E871-L875 WeakPolarHBondContact O-CG 3.41Å; E871-L875 PolarHBondContact O-N 3.17Å
872V82.3Confident85.8Confident89 Ų89101 Ų10154%0.53951%0.507SS..Hα-helixtrans-62.2-45.2173.2172.20000110.7K868 E869 R874 L875 V876K868-V872 WeakPolarHBondContact O-CG2 3.49Å; K868-V872 PolarHBondContact O-N 3.45Å; E869-V872 PolarHBondContact O-N 3.04Å; V872-R874 VanDerWaalsContact C-N 3.3Å; V872-R874 PolarHBondContact O-N 3.09Å; V872-L875 PolarHBondContact O-N 3.48Å; V872-V876 HydrophobicContact CG1-CG2 4.36Å; V872-V876 WeakPolarHBondContact O-CG2 3.26Å; V872-V876 PolarHBondContact O-N 2.97Å
873C85.7Confident85.7Confident76 Ų76102.2 Ų102.251%0.51451%0.512SS..Hα-helixtrans-59.3-40.6175.2-68.60000112.3E869 K870 V876 S877E869-C873 PolarHBondContact O-N 3.07Å; E869-C873 PolarHBondContact O-SG 3.15Å; E869-C873 VanDerWaalsContact O-SG 3.39Å; K870-C873 PolarHBondContact O-N 2.85Å; C873-V876 PolarHBondContact O-N 3.07Å; C873-S877 PolarHBondContact O-N 3.29Å; C873-S877 PolarHBondContact O-OG 2.91Å
874R90.1Very high85.7Confident120 Ų120101 Ų10145%0.45351%0.507SS..Hα-helixtrans-61.6-45.2176.1-169.5-169.169.972.50111.7K870 E871 V872 S877 Q878K870-R874 PolarHBondContact O-N 3.04Å; E871-R874 WeakPolarHBondContact O-CB 3.4Å; E871-R874 PolarHBondContact O-N 3.37Å; E871-R874 IonicContact OE1-CZ 2.68Å; E871-R874 IonicContact OE1-NE 2.92Å; E871-R874 PolarHBondContact OE1-NE 3.49Å; E871-R874 IonicContact OE1-NH2 3.38Å; E871-R874 PolarHBondContact OE1-NH2 3.06Å; E871-R874 IonicContact OE2-CZ 3.46Å; E871-R874 IonicContact OE2-NE 3.79Å; E871-R874 PolarHBondContact OE2-NE 3.02Å; E871-R874 IonicContact OE2-NH2 3.55Å; V872-R874 VanDerWaalsContact C-N 3.3Å; V872-R874 PolarHBondContact O-N 3.09Å; R874-S877 PolarHBondContact O-N 3.18Å; R874-Q878 PolarHBondContact O-N 3.07Å; R874-Q878 VanDerWaalsContact O-N 3.12Å
875L82.4Confident85.7Confident75 Ų75102.5 Ų102.539%0.39351%0.506SS..Hα-helixtrans-65.7-39.7178.3-70.2171.8000111.9E871 V872 Q878 I879E871-L875 HydrophobicContact CG-CD1 4.44Å; E871-L875 WeakPolarHBondContact O-CG 3.41Å; E871-L875 PolarHBondContact O-N 3.17Å; V872-L875 PolarHBondContact O-N 3.48Å; L875-Q878 PolarHBondContact O-N 3.03Å; L875-I879 WeakPolarHBondContact O-CG1 3.24Å; L875-I879 PolarHBondContact O-N 2.96Å
876V85.2Confident85.7Confident74 Ų74100.9 Ų100.945%0.44851%0.508SS..Hα-helixtrans-62.3-42.9175.6170.90000111.2V872 C873 Q878 I879 I880V872-V876 HydrophobicContact CG1-CG2 4.36Å; V872-V876 WeakPolarHBondContact O-CG2 3.26Å; V872-V876 PolarHBondContact O-N 2.97Å; C873-V876 PolarHBondContact O-N 3.07Å; V876-Q878 VanDerWaalsContact C-N 3.31Å; V876-Q878 PolarHBondContact O-N 3.44Å; V876-I879 PolarHBondContact O-N 3.44Å; V876-I880 HydrophobicContact CG1-CD1 4.17Å; V876-I880 WeakPolarHBondContact O-CG1 3.45Å; V876-I880 PolarHBondContact O-N 3.41Å; V876-I880 VanDerWaalsContact O-N 3.14Å
877S88.6Confident85.8Confident69 Ų69102.6 Ų102.648%0.48352%0.515SS..Hα-helixtrans-61.2-39.6174.4-64.70000112.6C873 R874 I880 E881C873-S877 PolarHBondContact O-N 3.29Å; C873-S877 PolarHBondContact O-OG 2.91Å; R874-S877 PolarHBondContact O-N 3.18Å; S877-I880 PolarHBondContact O-N 3.4Å; S877-E881 PolarHBondContact O-N 2.89Å; S877-E881 VanDerWaalsContact O-N 3.12Å
878Q85.2Confident86Confident89 Ų89103.1 Ų103.142%0.41651%0.509SS..Hα-helixtrans-66.6-36.7177.9-167.2171.710.400112.5R874 L875 V876 E881 L882R874-Q878 PolarHBondContact O-N 3.07Å; R874-Q878 VanDerWaalsContact O-N 3.12Å; L875-Q878 PolarHBondContact O-N 3.03Å; V876-Q878 VanDerWaalsContact C-N 3.31Å; V876-Q878 PolarHBondContact O-N 3.44Å; Q878-E881 PolarHBondContact O-N 3.5Å; Q878-L882 WeakPolarHBondContact O-CG 3.34Å; Q878-L882 PolarHBondContact O-N 3.24Å; Q878-L882 VanDerWaalsContact O-N 3.08Å
879I83.2Confident86Confident91 Ų9198.9 Ų98.947%0.46750%0.497SS..Hα-helixtrans-63.5-45.4174.3-69.2166.3000110.5L875 V876 E881 L882 E883L875-I879 WeakPolarHBondContact O-CG1 3.24Å; L875-I879 PolarHBondContact O-N 2.96Å; V876-I879 PolarHBondContact O-N 3.44Å; I879-E881 VanDerWaalsContact C-N 3.31Å; I879-E881 PolarHBondContact O-N 3.49Å; I879-L882 PolarHBondContact O-N 2.94Å; I879-E883 HydrophobicContact CG2-CG 4.29Å; I879-E883 WeakPolarHBondContact O-CG 3.47Å; I879-E883 PolarHBondContact O-N 2.84Å
880I86.8Confident86.1Confident101 Ų10197.2 Ų97.252%0.51850%0.496SS..Hα-helixtrans-60.7-40.8178.7-66.8166.9000111.4V876 S877 E883 S884V876-I880 HydrophobicContact CG1-CD1 4.17Å; V876-I880 WeakPolarHBondContact O-CG1 3.45Å; V876-I880 PolarHBondContact O-N 3.41Å; V876-I880 VanDerWaalsContact O-N 3.14Å; S877-I880 PolarHBondContact O-N 3.4Å; I880-E883 PolarHBondContact O-N 3.36Å; I880-S884 PolarHBondContact O-N 2.93Å
881E86.2Confident86.1Confident131 Ų13194.2 Ų94.261%0.61248%0.484SS*.Hα-helixtrans-62.5-47.1175.2-76.7179178.900111.8S877 Q878 I879 E883 S884 E885S877-E881 PolarHBondContact O-N 2.89Å; S877-E881 VanDerWaalsContact O-N 3.12Å; Q878-E881 PolarHBondContact O-N 3.5Å; I879-E881 VanDerWaalsContact C-N 3.31Å; I879-E881 PolarHBondContact O-N 3.49Å; E881-E883 PolarHBondContact O-N 3.17Å; E881-S884 PolarHBondContact O-N 2.72Å; E881-S884 PolarHBondContact O-OG 2.86Å; E881-E885 PolarHBondContact O-N 3.33Å
882L84.5Confident86.1Confident100 Ų10095.8 Ų95.852%0.52449%0.49SS..Hα-helixtrans-63.3-39.3177.6-72.7170.9000112.4Q878 I879 S884 E885 N886Q878-L882 WeakPolarHBondContact O-CG 3.34Å; Q878-L882 PolarHBondContact O-N 3.24Å; Q878-L882 VanDerWaalsContact O-N 3.08Å; I879-L882 PolarHBondContact O-N 2.94Å; L882-S884 VanDerWaalsContact C-N 3.33Å; L882-S884 PolarHBondContact O-N 2.88Å; L882-E885 PolarHBondContact O-N 3.43Å; L882-N886 WeakPolarHBondContact O-CB 3.41Å; L882-N886 PolarHBondContact O-N 3.5Å
883E85.3Confident86.2Confident123 Ų12396.5 Ų96.558%0.57549%0.49SS*.Hα-helixtrans-62.3-40.5174.1-74.6176.4168.700111.6I879 I880 E881 E885 N886 K887I879-E883 HydrophobicContact CG2-CG 4.29Å; I879-E883 WeakPolarHBondContact O-CG 3.47Å; I879-E883 PolarHBondContact O-N 2.84Å; I880-E883 PolarHBondContact O-N 3.36Å; E881-E883 PolarHBondContact O-N 3.17Å; E883-E885 VanDerWaalsContact C-N 3.34Å; E883-N886 PolarHBondContact O-N 3.45Å; E883-K887 WeakPolarHBondContact O-CB 3.38Å; E883-K887 PolarHBondContact O-N 2.77Å
884S84.7Confident86.1Confident54 Ų5496.8 Ų96.838%0.37849%0.486SS..Hα-helixtrans-67.1-34.1176.382.30000113I880 E881 L882 R888I880-S884 PolarHBondContact O-N 2.93Å; E881-S884 PolarHBondContact O-N 2.72Å; E881-S884 PolarHBondContact O-OG 2.86Å; L882-S884 VanDerWaalsContact C-N 3.33Å; L882-S884 PolarHBondContact O-N 2.88Å; S884-R888 PolarHBondContact O-N 2.87Å; S884-R888 VanDerWaalsContact O-N 3.13Å
885E87.5Confident85.9Confident101 Ų10196.2 Ų96.247%0.47249%0.489SS..Hα-helixtrans-75.2-38.7176.6-176.3156.1-129.600112.1E881 L882 E883 K887 R888 S889E881-E885 PolarHBondContact O-N 3.33Å; L882-E885 PolarHBondContact O-N 3.43Å; E883-E885 VanDerWaalsContact C-N 3.34Å; E885-K887 VanDerWaalsContact C-N 3.32Å; E885-K887 PolarHBondContact O-N 3.42Å; E885-R888 PolarHBondContact O-N 3.43Å; E885-R888 IonicContact OE1-NH1 2.6Å; E885-S889 WeakPolarHBondContact O-CB 3.48Å; E885-S889 PolarHBondContact O-N 3.41Å; E885-S889 PolarHBondContact O-OG 3.17Å
886N85.5Confident85.9Confident117 Ų11797.4 Ų97.463%0.62650%0.495SS*.Hα-helixtrans-63.5-40.3173.2-164.133.1000111L882 E883 S889 S890L882-N886 WeakPolarHBondContact O-CB 3.41Å; L882-N886 PolarHBondContact O-N 3.5Å; E883-N886 PolarHBondContact O-N 3.45Å; N886-S889 PolarHBondContact O-N 3.03Å; N886-S890 PolarHBondContact O-N 3.03Å
887K88.9Confident85.9Confident140 Ų14098.3 Ų98.361%0.60949%0.494SS*.Hα-helixtrans-60.9-47.6173.6-171179.3179-172.80112.2E883 E885 S889 S890 E891E883-K887 WeakPolarHBondContact O-CB 3.38Å; E883-K887 PolarHBondContact O-N 2.77Å; E885-K887 VanDerWaalsContact C-N 3.32Å; E885-K887 PolarHBondContact O-N 3.42Å; K887-S889 VanDerWaalsContact C-N 3.26Å; K887-S889 PolarHBondContact O-N 2.86Å; K887-S890 WeakPolarHBondContact O-CB 3.47Å; K887-S890 PolarHBondContact O-N 3.37Å; K887-E891 VanDerWaalsContact CE-OE1 3.29Å; K887-E891 WeakPolarHBondContact CE-OE1 3.36Å; K887-E891 WeakPolarHBondContact O-CG 3.29Å; K887-E891 PolarHBondContact O-N 3.4Å
888R88.9Confident85.6Confident139 Ų13999.9 Ų99.953%0.52550%0.497SS..Hα-helixtrans-58.2-38.2173.7-93.8-177.4-76120.7-2.8112.6S884 E885 K892S884-R888 PolarHBondContact O-N 2.87Å; S884-R888 VanDerWaalsContact O-N 3.13Å; E885-R888 PolarHBondContact O-N 3.43Å; E885-R888 IonicContact OE1-NH1 2.6Å; R888-K892 WeakPolarHBondContact O-CB 3.47Å; R888-K892 PolarHBondContact O-N 2.95Å
889S86.6Confident85.6Confident56 Ų56101.1 Ų101.139%0.39251%0.506SS..Hα-helixtrans-69.8-39.9178.9-56.30000111.5E885 N886 K887 K892 I893E885-S889 WeakPolarHBondContact O-CB 3.48Å; E885-S889 PolarHBondContact O-N 3.41Å; E885-S889 PolarHBondContact O-OG 3.17Å; N886-S889 PolarHBondContact O-N 3.03Å; K887-S889 VanDerWaalsContact C-N 3.26Å; K887-S889 PolarHBondContact O-N 2.86Å; S889-K892 WeakPolarHBondContact O-CB 3.28Å; S889-K892 PolarHBondContact O-N 2.98Å; S889-I893 WeakPolarHBondContact O-CG1 3.34Å; S889-I893 PolarHBondContact O-N 3.36Å
890S86.3Confident85.5Confident61 Ų6199.6 Ų99.643%0.42751%0.507SS..Hα-helixtrans-61.6-47.3173.4-166.70000111.7N886 K887 K892 I893 D894N886-S890 PolarHBondContact O-N 3.03Å; K887-S890 WeakPolarHBondContact O-CB 3.47Å; K887-S890 PolarHBondContact O-N 3.37Å; S890-K892 PolarHBondContact O-N 2.99Å; S890-I893 WeakPolarHBondContact O-CB 3.45Å; S890-I893 PolarHBondContact O-N 3Å; S890-I893 VanDerWaalsContact O-N 3.11Å; S890-D894 PolarHBondContact O-N 3.44Å
891E87Confident85.3Confident95 Ų95100.5 Ų100.544%0.44451%0.508SS..Hα-helixtrans-59.5-37.4175.7-71.1168.9-174.500111.3K887 D894 E895K887-E891 VanDerWaalsContact CE-OE1 3.29Å; K887-E891 WeakPolarHBondContact CE-OE1 3.36Å; K887-E891 WeakPolarHBondContact O-CG 3.29Å; K887-E891 PolarHBondContact O-N 3.4Å; E891-D894 PolarHBondContact O-N 3.48Å; E891-E895 WeakPolarHBondContact O-CG 3.49Å; E891-E895 PolarHBondContact O-N 3.14Å
892K88.1Confident85.2Confident110 Ų11097.1 Ų97.148%0.47850%0.498SS..Hα-helixtrans-68.1-37175.6-165.272-156.6161.30113R888 S889 S890 E895 L896R888-K892 WeakPolarHBondContact O-CB 3.47Å; R888-K892 PolarHBondContact O-N 2.95Å; S889-K892 WeakPolarHBondContact O-CB 3.28Å; S889-K892 PolarHBondContact O-N 2.98Å; S890-K892 PolarHBondContact O-N 2.99Å; K892-E895 IonicContact NZ-OE2 2.84Å; K892-E895 PolarHBondContact NZ-OE2 3.01Å; K892-E895 PolarHBondContact O-N 3.36Å; K892-L896 VanDerWaalsContact O-CG 3.32Å; K892-L896 WeakPolarHBondContact O-CG 3.33Å; K892-L896 PolarHBondContact O-N 3.36Å
893I83.1Confident85.1Confident105 Ų10595.8 Ų95.854%0.53850%0.497SS..Hα-helixtrans-64.2-44.4174.2-70164.5000109.6S889 S890 E895 L896 E897S889-I893 WeakPolarHBondContact O-CG1 3.34Å; S889-I893 PolarHBondContact O-N 3.36Å; S890-I893 WeakPolarHBondContact O-CB 3.45Å; S890-I893 PolarHBondContact O-N 3Å; S890-I893 VanDerWaalsContact O-N 3.11Å; I893-E895 VanDerWaalsContact C-N 3.35Å; I893-E895 PolarHBondContact O-N 2.96Å; I893-L896 PolarHBondContact O-N 2.99Å; I893-L896 VanDerWaalsContact O-N 3.15Å; I893-E897 WeakPolarHBondContact O-CB 3.43Å; I893-E897 PolarHBondContact O-N 3.12Å
894D84.7Confident85Confident81 Ų8192.9 Ų92.943%0.43349%0.491SS..Hα-helixtrans-61-41.9177.1-67.2-21.9000111.8S890 E891 E897 N898S890-D894 PolarHBondContact O-N 3.44Å; E891-D894 PolarHBondContact O-N 3.48Å; D894-E897 PolarHBondContact O-N 3.12Å; D894-N898 WeakPolarHBondContact O-CB 3.36Å; D894-N898 VanDerWaalsContact O-CG 3.3Å; D894-N898 PolarHBondContact O-N 3.11Å; D894-N898 PolarHBondContact O-ND2 3.49Å; D894-N898 VanDerWaalsContact O-ND2 3.12Å
895E84.5Confident84.9Confident109 Ų10995.9 Ų95.951%0.50950%0.498SS..Hα-helixtrans-59.9-45172.9-76.6179-175.700112.3E891 K892 I893 N898 L899E891-E895 WeakPolarHBondContact O-CG 3.49Å; E891-E895 PolarHBondContact O-N 3.14Å; K892-E895 IonicContact NZ-OE2 2.84Å; K892-E895 PolarHBondContact NZ-OE2 3.01Å; K892-E895 PolarHBondContact O-N 3.36Å; I893-E895 VanDerWaalsContact C-N 3.35Å; I893-E895 PolarHBondContact O-N 2.96Å; E895-N898 PolarHBondContact O-N 3.37Å; E895-L899 PolarHBondContact O-N 3.03Å
896L82.8Confident84.7Confident100 Ų10095.9 Ų95.952%0.52450%0.501SS..Hα-helixtrans-68.1-36.5179.3-72.8172.4000112K892 I893 L899 A900K892-L896 VanDerWaalsContact O-CG 3.32Å; K892-L896 WeakPolarHBondContact O-CG 3.33Å; K892-L896 PolarHBondContact O-N 3.36Å; I893-L896 PolarHBondContact O-N 2.99Å; I893-L896 VanDerWaalsContact O-N 3.15Å; L896-L899 WeakPolarHBondContact O-CB 3.5Å; L896-L899 PolarHBondContact O-N 3.13Å; L896-A900 WeakPolarHBondContact O-CB 3.34Å; L896-A900 PolarHBondContact O-N 3.35Å
897E84.7Confident84.4Confident93 Ų9395.6 Ų95.644%0.43550%0.496SS..Hα-helixtrans-66.9-40.6175.9-162-171.5144.600111.2I893 D894 A900 K901I893-E897 WeakPolarHBondContact O-CB 3.43Å; I893-E897 PolarHBondContact O-N 3.12Å; D894-E897 PolarHBondContact O-N 3.12Å; E897-A900 PolarHBondContact O-N 2.93Å; E897-K901 WeakPolarHBondContact O-CG 3.45Å; E897-K901 PolarHBondContact O-N 3.04Å; E897-K901 VanDerWaalsContact OE1-CE 3.29Å; E897-K901 WeakPolarHBondContact OE1-CE 3.41Å; E897-K901 IonicContact OE1-NZ 3.26Å; E897-K901 PolarHBondContact OE1-NZ 3.18Å
898N84Confident84.1Confident101 Ų10193.7 Ų93.754%0.5449%0.491SS..Hα-helixtrans-64.3-40.1172.9-73.8-33.7000111.9D894 E895 K901 S902D894-N898 WeakPolarHBondContact O-CB 3.36Å; D894-N898 VanDerWaalsContact O-CG 3.3Å; D894-N898 PolarHBondContact O-N 3.11Å; D894-N898 PolarHBondContact O-ND2 3.49Å; D894-N898 VanDerWaalsContact O-ND2 3.12Å; E895-N898 PolarHBondContact O-N 3.37Å; N898-K901 PolarHBondContact O-N 2.94Å; N898-S902 PolarHBondContact O-N 3.47Å; N898-S902 PolarHBondContact O-OG 3.02Å
899L85.4Confident83.9Confident115 Ų11591.3 Ų91.360%0.60249%0.489SS*.Hα-helixtrans-61.6-44.5173.8-160.488.9000111E895 L896 K901 S902 S903E895-L899 PolarHBondContact O-N 3.03Å; L896-L899 WeakPolarHBondContact O-CB 3.5Å; L896-L899 PolarHBondContact O-N 3.13Å; L899-K901 PolarHBondContact O-N 2.98Å; L899-S902 PolarHBondContact O-N 3.41Å; L899-S902 PolarHBondContact O-OG 2.96Å; L899-S903 WeakPolarHBondContact O-CB 3.5Å; L899-S903 PolarHBondContact O-N 3.45Å
900A80.6Confident83.7Confident60 Ų6093.6 Ų93.650%0.49650%0.497SS..Hα-helixtrans-62.5-42.6177.400000112.3L896 E897 S902 S903 S904L896-A900 WeakPolarHBondContact O-CB 3.34Å; L896-A900 PolarHBondContact O-N 3.35Å; E897-A900 PolarHBondContact O-N 2.93Å; A900-S902 PolarHBondContact O-N 2.9Å; A900-S903 PolarHBondContact O-N 2.88Å; A900-S904 WeakPolarHBondContact O-CB 3.38Å; A900-S904 PolarHBondContact O-N 2.88Å
901K82.9Confident83.6Confident120 Ų12095.4 Ų95.452%0.52250%0.498SS..Hα-helixtrans-60.1-44.6173.6-74170.4-174.3159.90111.6E897 N898 L899 S904 H905E897-K901 WeakPolarHBondContact O-CG 3.45Å; E897-K901 PolarHBondContact O-N 3.04Å; E897-K901 VanDerWaalsContact OE1-CE 3.29Å; E897-K901 WeakPolarHBondContact OE1-CE 3.41Å; E897-K901 IonicContact OE1-NZ 3.26Å; E897-K901 PolarHBondContact OE1-NZ 3.18Å; N898-K901 PolarHBondContact O-N 2.94Å; L899-K901 PolarHBondContact O-N 2.98Å; K901-S904 PolarHBondContact O-N 3.39Å; K901-H905 PolarHBondContact O-N 3.27Å
902S82.5Confident83.5Confident60 Ų6097 Ų9742%0.4251%0.505SS..Hα-helixtrans-64.5-39.7176.671.40000112.6N898 L899 A900 H905 I906N898-S902 PolarHBondContact O-N 3.47Å; N898-S902 PolarHBondContact O-OG 3.02Å; L899-S902 PolarHBondContact O-N 3.41Å; L899-S902 PolarHBondContact O-OG 2.96Å; A900-S902 PolarHBondContact O-N 2.9Å; S902-H905 PolarHBondContact O-N 2.94Å; S902-I906 WeakPolarHBondContact O-CG1 3.35Å; S902-I906 PolarHBondContact O-N 2.91Å
903S83.5Confident83.4Confident71 Ų7197.9 Ų97.950%0.49751%0.511SS..Hα-helixtrans-65.8-40.1175.8-171.90000112.1L899 A900 H905 I906 Q907L899-S903 WeakPolarHBondContact O-CB 3.5Å; L899-S903 PolarHBondContact O-N 3.45Å; A900-S903 PolarHBondContact O-N 2.88Å; S903-H905 VanDerWaalsContact C-N 3.3Å; S903-H905 PolarHBondContact O-N 3.27Å; S903-I906 PolarHBondContact O-N 3.4Å; S903-Q907 PolarHBondContact O-N 2.96Å
904S82.7Confident83.4Confident63 Ų6397.5 Ų97.544%0.44151%0.509SS..Hα-helixtrans-63.2-37.3174.8171.90000111.6A900 K901 Q907 L908A900-S904 WeakPolarHBondContact O-CB 3.38Å; A900-S904 PolarHBondContact O-N 2.88Å; K901-S904 PolarHBondContact O-N 3.39Å; S904-Q907 PolarHBondContact O-N 3.4Å; S904-L908 PolarHBondContact O-N 3.08Å
905H82.4Confident83.4Confident116 Ų11698.3 Ų98.354%0.53751%0.51SS..Hα-helixtrans-67.6-43175.8-163.942000112.2K901 S902 S903 Q907 L908 D909K901-H905 PolarHBondContact O-N 3.27Å; S902-H905 PolarHBondContact O-N 2.94Å; S903-H905 VanDerWaalsContact C-N 3.3Å; S903-H905 PolarHBondContact O-N 3.27Å; H905-Q907 VanDerWaalsContact C-N 3.28Å; H905-Q907 PolarHBondContact O-N 3.02Å; H905-L908 PolarHBondContact O-N 3.01Å; H905-D909 PolarHBondContact O-N 3.29Å
906I83Confident83.6Confident102 Ų10296 Ų9652%0.52350%0.504SS..Hα-helixtrans-60.5-39.1173.8-66.1165000111S902 S903 D909 L910S902-I906 WeakPolarHBondContact O-CG1 3.35Å; S902-I906 PolarHBondContact O-N 2.91Å; S903-I906 PolarHBondContact O-N 3.4Å; I906-D909 PolarHBondContact O-N 3.04Å; I906-L910 HydrophobicContact CG2-CD1 4.09Å; I906-L910 WeakPolarHBondContact O-CB 3.46Å; I906-L910 WeakPolarHBondContact O-CG 3.48Å; I906-L910 PolarHBondContact O-N 3.49Å
907Q80.3Confident83.7Confident111 Ų11195.9 Ų95.952%0.51950%0.504SS..Hα-helixtrans-64.2-44.7176.4-174.7178.6-15.200111.9S903 S904 H905 D909 L910 E911S903-Q907 PolarHBondContact O-N 2.96Å; S904-Q907 PolarHBondContact O-N 3.4Å; H905-Q907 VanDerWaalsContact C-N 3.28Å; H905-Q907 PolarHBondContact O-N 3.02Å; Q907-D909 VanDerWaalsContact C-N 3.34Å; Q907-D909 PolarHBondContact O-N 2.94Å; Q907-L910 PolarHBondContact O-N 3.34Å; Q907-E911 PolarHBondContact NE2-OE1 3.12Å; Q907-E911 VanDerWaalsContact NE2-OE1 3.07Å; Q907-E911 WeakPolarHBondContact O-CG 3.47Å; Q907-E911 PolarHBondContact O-N 3.1Å
908L83.1Confident83.8Confident99 Ų9998.5 Ų98.552%0.51851%0.509SS..Hα-helixtrans-60.8-41.4175.4-79.4166.3000112.1S904 H905 E911 H912S904-L908 PolarHBondContact O-N 3.08Å; H905-L908 PolarHBondContact O-N 3.01Å; L908-E911 PolarHBondContact O-N 3.43Å; L908-H912 WeakPolarHBondContact O-CB 3.45Å; L908-H912 PolarHBondContact O-N 3.43Å
909D83.5Confident83.9Confident90 Ų9096.8 Ų96.848%0.48151%0.505SS..Hα-helixtrans-64.4-40176.3-87.61.1000112.2H905 I906 Q907 H912 H913H905-D909 PolarHBondContact O-N 3.29Å; I906-D909 PolarHBondContact O-N 3.04Å; Q907-D909 VanDerWaalsContact C-N 3.34Å; Q907-D909 PolarHBondContact O-N 2.94Å; D909-H912 PolarHBondContact O-N 3.18Å; D909-H913 PolarHBondContact O-N 3.05Å; D909-H913 PolarHBondContact O-ND1 3.39Å
910L82.7Confident83.9Confident104 Ų10496.4 Ų96.455%0.54550%0.5SS..Hα-helixtrans-66.9-41.4175-76.3169.9000112I906 Q907 H912 H913 L914I906-L910 HydrophobicContact CG2-CD1 4.09Å; I906-L910 WeakPolarHBondContact O-CB 3.46Å; I906-L910 WeakPolarHBondContact O-CG 3.48Å; I906-L910 PolarHBondContact O-N 3.49Å; Q907-L910 PolarHBondContact O-N 3.34Å; L910-H912 VanDerWaalsContact C-N 3.35Å; L910-H913 PolarHBondContact O-N 3.46Å; L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 3.03Å
911E84.2Confident84.1Confident98 Ų9898.4 Ų98.446%0.45850%0.502SS..Hα-helixtrans-61.9-43.1174.6-77.2173.8-169.400111Q907 L908 H913 L914 E915Q907-E911 PolarHBondContact NE2-OE1 3.12Å; Q907-E911 VanDerWaalsContact NE2-OE1 3.07Å; Q907-E911 WeakPolarHBondContact O-CG 3.47Å; Q907-E911 PolarHBondContact O-N 3.1Å; L908-E911 PolarHBondContact O-N 3.43Å; E911-H913 PolarHBondContact O-N 3.07Å; E911-L914 PolarHBondContact O-N 2.94Å; E911-E915 WeakPolarHBondContact O-CB 3.3Å; E911-E915 PolarHBondContact O-N 3.3Å
912H85.1Confident84.3Confident129 Ų12997.2 Ų97.260%0.59750%0.502SS*.Hα-helixtrans-61.9-42174.1-173.8-65.3000112.1L908 D909 L910 E915 T916L908-H912 WeakPolarHBondContact O-CB 3.45Å; L908-H912 PolarHBondContact O-N 3.43Å; D909-H912 PolarHBondContact O-N 3.18Å; L910-H912 VanDerWaalsContact C-N 3.35Å; H912-E915 PolarHBondContact O-N 3.43Å; H912-T916 PolarHBondContact ND1-OG1 2.97Å; H912-T916 WeakPolarHBondContact O-CB 3.36Å; H912-T916 PolarHBondContact O-N 3.02Å; H912-T916 PolarHBondContact O-OG1 2.69Å
913H85.2Confident84.5Confident128 Ų128101.1 Ų101.159%0.59351%0.513SS*.Hα-helixtrans-63.7-42.3175.3-91.250.4000112.2D909 L910 E911 E915 T916 L917D909-H913 PolarHBondContact O-N 3.05Å; D909-H913 PolarHBondContact O-ND1 3.39Å; L910-H913 PolarHBondContact O-N 3.46Å; E911-H913 PolarHBondContact O-N 3.07Å; H913-E915 VanDerWaalsContact C-N 3.35Å; H913-T916 PolarHBondContact O-N 2.93Å; H913-L917 WeakPolarHBondContact O-CG 3.38Å; H913-L917 PolarHBondContact O-N 2.92Å
914L84.6Confident84.6Confident97 Ų97103.9 Ų103.951%0.50852%0.52SS..Hα-helixtrans-63.8-39.7176.2-75.2173.2000111.9L910 E911 L917 R918L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 3.03Å; E911-L914 PolarHBondContact O-N 2.94Å; L914-L917 PolarHBondContact O-N 3.4Å; L914-R918 WeakPolarHBondContact O-CG 3.48Å; L914-R918 PolarHBondContact O-N 3.48Å
915E84.7Confident84.9Confident98 Ų98105.9 Ų105.946%0.45852%0.522SS..Hα-helixtrans-68.4-37.7177.6-163.256.7-147.900112.1E911 H912 H913 R918 S919E911-E915 WeakPolarHBondContact O-CB 3.3Å; E911-E915 PolarHBondContact O-N 3.3Å; H912-E915 PolarHBondContact O-N 3.43Å; H913-E915 VanDerWaalsContact C-N 3.35Å; E915-R918 PolarHBondContact O-N 2.86Å; E915-R918 IonicContact OE2-NH1 3.19Å; E915-R918 PolarHBondContact OE2-NH1 3.47Å; E915-S919 PolarHBondContact O-N 3.08Å; E915-S919 PolarHBondContact O-OG 3.44Å
916T87.2Confident85Confident60 Ų60103.7 Ų103.737%0.36852%0.52SS..Hα-helixtrans-62.3-45.1172.6-53.70000111H912 H913 S919 Q920H912-T916 PolarHBondContact ND1-OG1 2.97Å; H912-T916 WeakPolarHBondContact O-CB 3.36Å; H912-T916 PolarHBondContact O-N 3.02Å; H912-T916 PolarHBondContact O-OG1 2.69Å; H913-T916 PolarHBondContact O-N 2.93Å; T916-S919 PolarHBondContact O-N 2.98Å; T916-Q920 WeakPolarHBondContact O-CG 3.49Å; T916-Q920 PolarHBondContact O-N 3.36Å
917L84.9Confident85.1Confident99 Ų99100.5 Ų100.552%0.51851%0.512SS..Hα-helixtrans-63.9-39.4175.8-77170.6000112.3H913 L914 Q920 L921H913-L917 WeakPolarHBondContact O-CG 3.38Å; H913-L917 PolarHBondContact O-N 2.92Å; L914-L917 PolarHBondContact O-N 3.4Å; L917-Q920 PolarHBondContact O-N 2.88Å; L917-L921 WeakPolarHBondContact O-CB 3.34Å; L917-L921 PolarHBondContact O-N 2.91Å
918R87.2Confident85.5Confident147 Ų147102.1 Ų102.156%0.55551%0.514SS*.Hα-helixtrans-61.6-43.6174.5-79179.7-174.3145.7-1.1112L914 E915 L921 N922L914-R918 WeakPolarHBondContact O-CG 3.48Å; L914-R918 PolarHBondContact O-N 3.48Å; E915-R918 PolarHBondContact O-N 2.86Å; E915-R918 IonicContact OE2-NH1 3.19Å; E915-R918 PolarHBondContact OE2-NH1 3.47Å; R918-L921 PolarHBondContact O-N 3.39Å; R918-N922 WeakPolarHBondContact O-CB 3.42Å; R918-N922 VanDerWaalsContact O-CG 3.25Å; R918-N922 PolarHBondContact O-N 2.93Å
919S85.8Confident85.7Confident65 Ų65101.7 Ų101.746%0.45551%0.511SS..Hα-helixtrans-62.9-43.6177.2-68.40000111.7E915 T916 L921 N922 E923E915-S919 PolarHBondContact O-N 3.08Å; E915-S919 PolarHBondContact O-OG 3.44Å; T916-S919 PolarHBondContact O-N 2.98Å; S919-L921 VanDerWaalsContact C-N 3.33Å; S919-L921 PolarHBondContact O-N 3.03Å; S919-N922 PolarHBondContact O-N 3.48Å; S919-E923 WeakPolarHBondContact O-CB 3.36Å; S919-E923 PolarHBondContact O-N 3.43Å
920Q86.8Confident85.9Confident107 Ų107100.4 Ų100.450%0.551%0.509SS..Hα-helixtrans-61.7-40173.7-72.8178.7-10.800112.5T916 L917 E923 M924T916-Q920 WeakPolarHBondContact O-CG 3.49Å; T916-Q920 PolarHBondContact O-N 3.36Å; L917-Q920 PolarHBondContact O-N 2.88Å; Q920-E923 PolarHBondContact O-N 2.89Å; Q920-M924 WeakPolarHBondContact O-CG 3.33Å; Q920-M924 PolarHBondContact O-N 3.39Å
921L84.9Confident86.1Confident102 Ų10299.2 Ų99.253%0.53451%0.507SS..Hα-helixtrans-68-41.6179.3-153.1123.9000111.6L917 R918 S919 E923 M924 E925L917-L921 WeakPolarHBondContact O-CB 3.34Å; L917-L921 PolarHBondContact O-N 2.91Å; R918-L921 PolarHBondContact O-N 3.39Å; S919-L921 VanDerWaalsContact C-N 3.33Å; S919-L921 PolarHBondContact O-N 3.03Å; L921-E923 VanDerWaalsContact C-N 3.35Å; L921-M924 HydrophobicContact CG-CE 4.38Å; L921-M924 PolarHBondContact O-N 2.89Å; L921-E925 WeakPolarHBondContact O-CB 3.3Å; L921-E925 PolarHBondContact O-N 2.95Å
922N86.7Confident86.3Confident96 Ų96101.9 Ų101.951%0.51351%0.512SS..Hα-helixtrans-63.5-39.8173.8-70.7-14.9000111.6R918 S919 E925 S926R918-N922 WeakPolarHBondContact O-CB 3.42Å; R918-N922 VanDerWaalsContact O-CG 3.25Å; R918-N922 PolarHBondContact O-N 2.93Å; S919-N922 PolarHBondContact O-N 3.48Å; N922-E925 PolarHBondContact O-N 2.85Å; N922-S926 WeakPolarHBondContact O-CB 3.49Å; N922-S926 PolarHBondContact O-N 3.04Å; N922-S926 PolarHBondContact O-OG 3.3Å
923E85.7Confident86.3Confident142 Ų14298.6 Ų98.666%0.66451%0.508SS*.Hα-helixtrans-63.9-46.4175.8-167.5176.1-17300110.9S919 Q920 L921 E925 S926 G927S919-E923 WeakPolarHBondContact O-CB 3.36Å; S919-E923 PolarHBondContact O-N 3.43Å; Q920-E923 PolarHBondContact O-N 2.89Å; L921-E923 VanDerWaalsContact C-N 3.35Å; E923-E925 VanDerWaalsContact C-N 3.35Å; E923-E925 PolarHBondContact O-N 3.4Å; E923-S926 PolarHBondContact O-N 3.21Å; E923-S926 PolarHBondContact O-OG 2.94Å; E923-G927 PolarHBondContact O-N 2.88Å
924M86.3Confident86.3Confident129 Ų12998 Ų9864%0.63551%0.505SS*.Hα-helixtrans-60.2-41.8172.7-72.9-164-46.200112.7Q920 L921 G927 W928Q920-M924 WeakPolarHBondContact O-CG 3.33Å; Q920-M924 PolarHBondContact O-N 3.39Å; L921-M924 HydrophobicContact CG-CE 4.38Å; L921-M924 PolarHBondContact O-N 2.89Å; M924-G927 PolarHBondContact O-N 3.13Å; M924-W928 WeakPolarHBondContact O-CB 3.3Å; M924-W928 PolarHBondContact O-N 3.3Å
925E88.3Confident86.4Confident105 Ų10597.7 Ų97.749%0.49150%0.503SS..Hα-helixtrans-64.6-42.4178.4-172170.8-16200111.1L921 N922 E923 G927 W928 L929L921-E925 WeakPolarHBondContact O-CB 3.3Å; L921-E925 PolarHBondContact O-N 2.95Å; N922-E925 PolarHBondContact O-N 2.85Å; E923-E925 VanDerWaalsContact C-N 3.35Å; E923-E925 PolarHBondContact O-N 3.4Å; E925-G927 PolarHBondContact O-N 3.48Å; E925-W928 PolarHBondContact O-N 3.16Å; E925-L929 HydrophobicContact CG-CD1 4.33Å; E925-L929 WeakPolarHBondContact O-CB 3.44Å; E925-L929 WeakPolarHBondContact O-CG 3.37Å; E925-L929 PolarHBondContact O-N 2.87Å
926S83.9Confident86.4Confident69 Ų6995.6 Ų95.648%0.48350%0.503SS..Hα-helixtrans-63.3-40.4174.475.90000112.3N922 E923 L929 S930N922-S926 WeakPolarHBondContact O-CB 3.49Å; N922-S926 PolarHBondContact O-N 3.04Å; N922-S926 PolarHBondContact O-OG 3.3Å; E923-S926 PolarHBondContact O-N 3.21Å; E923-S926 PolarHBondContact O-OG 2.94Å; S926-L929 PolarHBondContact O-N 2.93Å; S926-S930 WeakPolarHBondContact O-CB 3.37Å; S926-S930 PolarHBondContact O-N 3.11Å
927G87.1Confident86.4Confident35 Ų3598.1 Ų98.136%0.36151%0.511SS..Hα-helixtrans-64-40.6173.200000112.4E923 M924 E925 S930 T931E923-G927 PolarHBondContact O-N 2.88Å; M924-G927 PolarHBondContact O-N 3.13Å; E925-G927 PolarHBondContact O-N 3.48Å; G927-S930 PolarHBondContact O-N 2.86Å; G927-T931 WeakPolarHBondContact O-CG2 3.47Å; G927-T931 PolarHBondContact O-N 3.31Å; G927-T931 PolarHBondContact O-OG1 3.12Å
928W87.1Confident86.3Confident146 Ų14696.9 Ų96.955%0.55351%0.507SS*.Hα-helixtrans-66.6-42.6175.6-175.980.2000112.4M924 E925 S930 T931 R932M924-W928 WeakPolarHBondContact O-CB 3.3Å; M924-W928 PolarHBondContact O-N 3.3Å; E925-W928 PolarHBondContact O-N 3.16Å; W928-S930 VanDerWaalsContact C-N 3.35Å; W928-S930 PolarHBondContact O-N 2.92Å; W928-T931 WeakPolarHBondContact CA-OG1 3.46Å; W928-T931 PolarHBondContact O-N 3.37Å; W928-T931 PolarHBondContact O-OG1 3.27Å; W928-R932 VanDerWaalsContact O-CB 3.25Å; W928-R932 WeakPolarHBondContact O-CB 3.43Å; W928-R932 PolarHBondContact O-N 3.11Å
929L87.9Confident86.3Confident90 Ų9097.5 Ų97.547%0.47151%0.509SS..Hα-helixtrans-63.4-40.9175.1-73.2170.7000111.7E925 S926 R932 A933E925-L929 HydrophobicContact CG-CD1 4.33Å; E925-L929 WeakPolarHBondContact O-CB 3.44Å; E925-L929 WeakPolarHBondContact O-CG 3.37Å; E925-L929 PolarHBondContact O-N 2.87Å; S926-L929 PolarHBondContact O-N 2.93Å; L929-R932 PolarHBondContact O-N 3.48Å; L929-A933 WeakPolarHBondContact O-CB 3.35Å; L929-A933 PolarHBondContact O-N 3.47Å
930S87.3Confident86.3Confident63 Ų63100.2 Ų100.244%0.44152%0.515SS..Hα-helixtrans-63.1-48.1175.8-175.60000112.1S926 G927 W928 R932 A933 Q934S926-S930 WeakPolarHBondContact O-CB 3.37Å; S926-S930 PolarHBondContact O-N 3.11Å; G927-S930 PolarHBondContact O-N 2.86Å; W928-S930 VanDerWaalsContact C-N 3.35Å; W928-S930 PolarHBondContact O-N 2.92Å; S930-R932 VanDerWaalsContact C-N 3.32Å; S930-R932 PolarHBondContact O-N 3.29Å; S930-A933 WeakPolarHBondContact O-CB 3.3Å; S930-A933 PolarHBondContact O-N 2.83Å; S930-Q934 WeakPolarHBondContact O-CG 3.41Å; S930-Q934 PolarHBondContact O-N 3.07Å
931T86.4Confident86.1Confident79 Ų79100.3 Ų100.349%0.48552%0.515SS..Hα-helixtrans-64.3-36.2176.451.90000112.4G927 W928 Q934 L935G927-T931 WeakPolarHBondContact O-CG2 3.47Å; G927-T931 PolarHBondContact O-N 3.31Å; G927-T931 PolarHBondContact O-OG1 3.12Å; W928-T931 WeakPolarHBondContact CA-OG1 3.46Å; W928-T931 PolarHBondContact O-N 3.37Å; W928-T931 PolarHBondContact O-OG1 3.27Å; T931-Q934 PolarHBondContact O-N 3.35Å; T931-L935 WeakPolarHBondContact O-CB 3.39Å; T931-L935 PolarHBondContact O-N 3.08Å
932R88.7Confident86.2Confident154 Ų154100.8 Ų100.858%0.58152%0.518SS*.Hα-helixtrans-65.1-40.7172.7178.9178.6160.1158-3.9112.2W928 L929 S930 L935 A936W928-R932 VanDerWaalsContact O-CB 3.25Å; W928-R932 WeakPolarHBondContact O-CB 3.43Å; W928-R932 PolarHBondContact O-N 3.11Å; L929-R932 PolarHBondContact O-N 3.48Å; S930-R932 VanDerWaalsContact C-N 3.32Å; S930-R932 PolarHBondContact O-N 3.29Å; R932-L935 PolarHBondContact O-N 3.36Å; R932-A936 PolarHBondContact O-N 3.26Å
933A85.2Confident86.2Confident60 Ų60100.4 Ų100.450%0.49652%0.515SS..Hα-helixtrans-64.4-44.4175.600000111.3L929 S930 L935 A936 E937L929-A933 WeakPolarHBondContact O-CB 3.35Å; L929-A933 PolarHBondContact O-N 3.47Å; S930-A933 WeakPolarHBondContact O-CB 3.3Å; S930-A933 PolarHBondContact O-N 2.83Å; A933-L935 VanDerWaalsContact C-N 3.32Å; A933-L935 PolarHBondContact O-N 3.42Å; A933-A936 WeakPolarHBondContact O-CB 3.49Å; A933-A936 PolarHBondContact O-N 3.18Å; A933-A936 VanDerWaalsContact O-N 3.13Å; A933-E937 PolarHBondContact O-N 3.4Å
934Q84.6Confident86.1Confident115 Ų115100 Ų10054%0.53751%0.511SS..Hα-helixtrans-59.7-40.3173.3-70.6176.1-1.200112.1S930 T931 A936 E937 T938S930-Q934 WeakPolarHBondContact O-CG 3.41Å; S930-Q934 PolarHBondContact O-N 3.07Å; T931-Q934 PolarHBondContact O-N 3.35Å; Q934-A936 VanDerWaalsContact C-N 3.35Å; Q934-E937 PolarHBondContact O-N 2.66Å; Q934-T938 WeakPolarHBondContact O-CB 3.23Å; Q934-T938 WeakPolarHBondContact O-CG2 3.48Å; Q934-T938 PolarHBondContact O-N 3.1Å; Q934-T938 PolarHBondContact O-OG1 2.83Å
935L88Confident85.9Confident90 Ų9097.9 Ų97.947%0.47151%0.505SS..Hα-helixtrans-65.4-37.4175.1-173.366.6000112.3T931 R932 A933 T938 R939T931-L935 WeakPolarHBondContact O-CB 3.39Å; T931-L935 PolarHBondContact O-N 3.08Å; R932-L935 PolarHBondContact O-N 3.36Å; A933-L935 VanDerWaalsContact C-N 3.32Å; A933-L935 PolarHBondContact O-N 3.42Å; L935-T938 VanDerWaalsContact CA-OG1 3.28Å; L935-T938 WeakPolarHBondContact CA-OG1 3.5Å; L935-T938 PolarHBondContact O-OG1 3.34Å; L935-R939 WeakPolarHBondContact O-CB 3.44Å; L935-R939 VanDerWaalsContact O-CG 3.26Å; L935-R939 WeakPolarHBondContact O-CG 3.36Å; L935-R939 PolarHBondContact O-N 3.13Å
936A85.1Confident85.7Confident54 Ų5498.4 Ų98.445%0.44651%0.508SS..Hα-helixtrans-67.3-42.7175.300000111.5R932 A933 Q934 R939 Q940R932-A936 PolarHBondContact O-N 3.26Å; A933-A936 WeakPolarHBondContact O-CB 3.49Å; A933-A936 PolarHBondContact O-N 3.18Å; A933-A936 VanDerWaalsContact O-N 3.13Å; Q934-A936 VanDerWaalsContact C-N 3.35Å; A936-R939 PolarHBondContact O-N 2.85Å; A936-Q940 PolarHBondContact O-N 2.81Å
937E86.2Confident85.7Confident114 Ų114100.9 Ų100.953%0.53351%0.512SS..Hα-helixtrans-62.5-46.9176.4-171.5-179.2-179.800111.6A933 Q934 R939 Q940 Q941A933-E937 PolarHBondContact O-N 3.4Å; Q934-E937 PolarHBondContact O-N 2.66Å; E937-R939 VanDerWaalsContact C-N 3.35Å; E937-R939 PolarHBondContact O-N 2.86Å; E937-Q940 PolarHBondContact O-N 3.03Å; E937-Q940 VanDerWaalsContact O-N 3.08Å; E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 2.92Å
938T83.3Confident85.6Confident72 Ų72105 Ų10544%0.44253%0.525SS..Hα-helixtrans-62.8-38.6176.649.80000112.4Q934 L935 Q940 Q941 L942Q934-T938 WeakPolarHBondContact O-CB 3.23Å; Q934-T938 WeakPolarHBondContact O-CG2 3.48Å; Q934-T938 PolarHBondContact O-N 3.1Å; Q934-T938 PolarHBondContact O-OG1 2.83Å; L935-T938 VanDerWaalsContact CA-OG1 3.28Å; L935-T938 WeakPolarHBondContact CA-OG1 3.5Å; L935-T938 PolarHBondContact O-OG1 3.34Å; T938-Q940 VanDerWaalsContact C-N 3.32Å; T938-Q940 PolarHBondContact O-N 3.22Å; T938-Q941 PolarHBondContact O-N 3.35Å; T938-L942 WeakPolarHBondContact O-CB 3.49Å; T938-L942 PolarHBondContact O-N 3.14Å
939R87.4Confident85.6Confident161 Ų161102 Ų10261%0.60852%0.519SS*.Hα-helixtrans-61-40.2171-78.1174.2176.1-179-0.3112L935 A936 E937 L942 I943L935-R939 WeakPolarHBondContact O-CB 3.44Å; L935-R939 VanDerWaalsContact O-CG 3.26Å; L935-R939 WeakPolarHBondContact O-CG 3.36Å; L935-R939 PolarHBondContact O-N 3.13Å; A936-R939 PolarHBondContact O-N 2.85Å; E937-R939 VanDerWaalsContact C-N 3.35Å; E937-R939 PolarHBondContact O-N 2.86Å; R939-L942 WeakPolarHBondContact O-CB 3.29Å; R939-L942 PolarHBondContact O-N 3.18Å; R939-I943 WeakPolarHBondContact O-CG1 3.37Å; R939-I943 PolarHBondContact O-N 3.37Å
940Q85.2Confident85.4Confident122 Ų122102.8 Ų102.857%0.5752%0.52SS*.Hα-helixtrans-72.5-35.3179.5-164.4155.47.100112.6A936 E937 T938 L942 I943 K944A936-Q940 PolarHBondContact O-N 2.81Å; E937-Q940 PolarHBondContact O-N 3.03Å; E937-Q940 VanDerWaalsContact O-N 3.08Å; T938-Q940 VanDerWaalsContact C-N 3.32Å; T938-Q940 PolarHBondContact O-N 3.22Å; Q940-L942 VanDerWaalsContact C-N 3.34Å; Q940-I943 PolarHBondContact O-N 2.99Å; Q940-K944 WeakPolarHBondContact O-CG 3.45Å; Q940-K944 PolarHBondContact O-N 3.44Å
941Q83Confident85.2Confident109 Ų109103.2 Ų103.251%0.50952%0.518SS..Hα-helixtrans-63-41168.7-70179.61.700111.3E937 T938 K944 T945E937-Q941 WeakPolarHBondContact O-CG 3.35Å; E937-Q941 PolarHBondContact O-N 2.92Å; T938-Q941 PolarHBondContact O-N 3.35Å; Q941-K944 PolarHBondContact O-N 2.83Å; Q941-T945 WeakPolarHBondContact O-CG2 3.32Å; Q941-T945 PolarHBondContact O-N 3.36Å; Q941-T945 PolarHBondContact O-OG1 3.34Å
942L86.4Confident85Confident111 Ų111102 Ų10258%0.58151%0.51SS*.Hα-helixtrans-61.3-46.9175.3-168.475.6000111.5T938 R939 Q940 K944 T945 E946T938-L942 WeakPolarHBondContact O-CB 3.49Å; T938-L942 PolarHBondContact O-N 3.14Å; R939-L942 WeakPolarHBondContact O-CB 3.29Å; R939-L942 PolarHBondContact O-N 3.18Å; Q940-L942 VanDerWaalsContact C-N 3.34Å; L942-K944 PolarHBondContact O-N 3.02Å; L942-T945 WeakPolarHBondContact CA-OG1 3.45Å; L942-T945 PolarHBondContact O-N 3.36Å; L942-T945 PolarHBondContact O-OG1 2.82Å; L942-E946 WeakPolarHBondContact O-CB 3.48Å; L942-E946 PolarHBondContact O-N 3.32Å
943I86.2Confident85Confident89 Ų89101.6 Ų101.646%0.45651%0.509SS..Hα-helixtrans-58.7-47.6175.8-68.1164.1000110.9R939 Q940 T945 E946 E947R939-I943 WeakPolarHBondContact O-CG1 3.37Å; R939-I943 PolarHBondContact O-N 3.37Å; Q940-I943 PolarHBondContact O-N 2.99Å; I943-T945 VanDerWaalsContact C-N 3.31Å; I943-T945 PolarHBondContact O-N 2.9Å; I943-E946 PolarHBondContact O-N 3.16Å; I943-E947 HydrophobicContact CG2-CG 4.38Å; I943-E947 WeakPolarHBondContact O-CB 3.31Å; I943-E947 WeakPolarHBondContact O-CG 3.39Å; I943-E947 PolarHBondContact O-N 3.46Å
944K84.9Confident84.8Confident133 Ų133103 Ų10358%0.57851%0.508SS*.Hα-helixtrans-60.1-39.8177.7-76.6180179.6179.20112.5Q940 Q941 L942 L948Q940-K944 WeakPolarHBondContact O-CG 3.45Å; Q940-K944 PolarHBondContact O-N 3.44Å; Q941-K944 PolarHBondContact O-N 2.83Å; L942-K944 PolarHBondContact O-N 3.02Å; K944-L948 WeakPolarHBondContact O-CB 3.41Å; K944-L948 PolarHBondContact O-N 3.41Å
945T82.8Confident84.6Confident84 Ų84104.2 Ų104.252%0.51551%0.507SS..Hα-helixtrans-70.5-35.7177.150.20000112.2Q941 L942 I943 L948 L949Q941-T945 WeakPolarHBondContact O-CG2 3.32Å; Q941-T945 PolarHBondContact O-N 3.36Å; Q941-T945 PolarHBondContact O-OG1 3.34Å; L942-T945 WeakPolarHBondContact CA-OG1 3.45Å; L942-T945 PolarHBondContact O-N 3.36Å; L942-T945 PolarHBondContact O-OG1 2.82Å; I943-T945 VanDerWaalsContact C-N 3.31Å; I943-T945 PolarHBondContact O-N 2.9Å; T945-L948 PolarHBondContact O-N 3.41Å; T945-L949 WeakPolarHBondContact O-CB 3.48Å; T945-L949 PolarHBondContact O-N 3.45Å
946E83.2Confident84.3Confident116 Ų116105.2 Ų105.254%0.54251%0.512SS..Hα-helixtrans-69.5-38.9175.3-161.8168.2-154.700112L942 I943 L949 H950L942-E946 WeakPolarHBondContact O-CB 3.48Å; L942-E946 PolarHBondContact O-N 3.32Å; I943-E946 PolarHBondContact O-N 3.16Å; E946-L949 WeakPolarHBondContact O-CB 3.36Å; E946-L949 PolarHBondContact O-N 2.96Å; E946-H950 PolarHBondContact O-N 3.45Å
947E84Confident84.1Confident122 Ų122108.2 Ų108.257%0.5752%0.52SS*.Hα-helixtrans-61.4-46.8169.7-75.7175.4170.500111.3I943 L949 H950 D951I943-E947 HydrophobicContact CG2-CG 4.38Å; I943-E947 WeakPolarHBondContact O-CB 3.31Å; I943-E947 WeakPolarHBondContact O-CG 3.39Å; I943-E947 PolarHBondContact O-N 3.46Å; E947-L949 VanDerWaalsContact C-N 3.28Å; E947-L949 PolarHBondContact O-N 3.28Å; E947-H950 WeakPolarHBondContact O-CB 3.32Å; E947-H950 PolarHBondContact O-N 3.25Å; E947-D951 WeakPolarHBondContact O-CB 3.21Å; E947-D951 PolarHBondContact O-N 3.34Å
948L85.3Confident83.8Confident122 Ų122110 Ų11064%0.63952%0.522SS*.Hα-helixtrans-61.5-38.3176.5-158.892.5000111.5K944 T945 D951 T952K944-L948 WeakPolarHBondContact O-CB 3.41Å; K944-L948 PolarHBondContact O-N 3.41Å; T945-L948 PolarHBondContact O-N 3.41Å; L948-D951 PolarHBondContact O-N 2.86Å; L948-T952 PolarHBondContact O-N 3.23Å; L948-T952 PolarHBondContact O-OG1 3.49Å
949L86Confident83.5Confident83 Ų83108.8 Ų108.844%0.43552%0.519SS..Hα-helixtrans-67.4-40.3175.3-165103.8000111.6T945 E946 E947 T952 R953T945-L949 WeakPolarHBondContact O-CB 3.48Å; T945-L949 PolarHBondContact O-N 3.45Å; E946-L949 WeakPolarHBondContact O-CB 3.36Å; E946-L949 PolarHBondContact O-N 2.96Å; E947-L949 VanDerWaalsContact C-N 3.28Å; E947-L949 PolarHBondContact O-N 3.28Å; L949-T952 VanDerWaalsContact CA-OG1 3.23Å; L949-T952 WeakPolarHBondContact CA-OG1 3.22Å; L949-T952 PolarHBondContact O-OG1 3.43Å; L949-R953 WeakPolarHBondContact O-CB 3.39Å; L949-R953 VanDerWaalsContact O-CG 3.3Å; L949-R953 WeakPolarHBondContact O-CG 3.49Å; L949-R953 PolarHBondContact O-N 3.15Å
950H85.1Confident83.1Confident106 Ų106105.8 Ų105.849%0.49152%0.516SS..Hα-helixtrans-63.4-44.1173.3-99.154.2000111.6E946 E947 T952 R953 L954E946-H950 PolarHBondContact O-N 3.45Å; E947-H950 WeakPolarHBondContact O-CB 3.32Å; E947-H950 PolarHBondContact O-N 3.25Å; H950-T952 PolarHBondContact O-N 3.35Å; H950-R953 WeakPolarHBondContact O-CB 3.42Å; H950-R953 PolarHBondContact O-N 3.5Å; H950-L954 WeakPolarHBondContact O-CG 3.45Å; H950-L954 PolarHBondContact O-N 3.32Å
951D83.1Confident82.8Confident72 Ų72108.2 Ų108.239%0.38552%0.521SS..Hα-helixtrans-67.3-38.5-179.2-158.950.3000111.5E947 L948 L954 R955E947-D951 WeakPolarHBondContact O-CB 3.21Å; E947-D951 PolarHBondContact O-N 3.34Å; L948-D951 PolarHBondContact O-N 2.86Å; D951-L954 PolarHBondContact O-N 3.46Å; D951-R955 WeakPolarHBondContact O-CB 3.44Å; D951-R955 PolarHBondContact O-N 3.24Å; D951-R955 IonicContact OD2-CZ 3.57Å; D951-R955 IonicContact OD2-NH2 3.01Å; D951-R955 PolarHBondContact OD2-NH2 3.21Å
952T82.5Confident82.6Confident54 Ų54108.6 Ų108.633%0.33152%0.523SS..Hα-helixtrans-66.6-40.1170.937.30000112.9L948 L949 H950 R955 L956L948-T952 PolarHBondContact O-N 3.23Å; L948-T952 PolarHBondContact O-OG1 3.49Å; L949-T952 VanDerWaalsContact CA-OG1 3.23Å; L949-T952 WeakPolarHBondContact CA-OG1 3.22Å; L949-T952 PolarHBondContact O-OG1 3.43Å; H950-T952 PolarHBondContact O-N 3.35Å; T952-R955 WeakPolarHBondContact O-CB 3.33Å; T952-R955 PolarHBondContact O-N 2.89Å; T952-L956 PolarHBondContact O-N 3.49Å
953R86.9Confident82Confident144 Ų144110 Ų11054%0.54352%0.524SS..Hα-helixtrans-60.4-44.4172.6-80175.6176.51721.1112L949 H950 R955 L956 L957L949-R953 WeakPolarHBondContact O-CB 3.39Å; L949-R953 VanDerWaalsContact O-CG 3.3Å; L949-R953 WeakPolarHBondContact O-CG 3.49Å; L949-R953 PolarHBondContact O-N 3.15Å; H950-R953 WeakPolarHBondContact O-CB 3.42Å; H950-R953 PolarHBondContact O-N 3.5Å; R953-R955 VanDerWaalsContact C-N 3.31Å; R953-R955 PolarHBondContact O-N 3.4Å; R953-L956 PolarHBondContact O-N 3.48Å; R953-L957 WeakPolarHBondContact O-CB 3.42Å; R953-L957 PolarHBondContact O-N 3.2Å
954L82.2Confident81.2Confident91 Ų91108.3 Ų108.348%0.47652%0.524SS..Hα-helixtrans-62.9-38.4175.2-78.8168.3000112.1H950 D951 L957 R958H950-L954 WeakPolarHBondContact O-CG 3.45Å; H950-L954 PolarHBondContact O-N 3.32Å; D951-L954 PolarHBondContact O-N 3.46Å; L954-L957 PolarHBondContact O-N 3.3Å; L954-R958 PolarHBondContact O-N 3.04Å
955R80.9Confident80.6Confident139 Ų139105.3 Ų105.353%0.52551%0.512SS..Hα-helixtrans-65.7-41.9176.2-150.8176.4-59.8148.72.6111.6D951 T952 R953 R958 A959D951-R955 WeakPolarHBondContact O-CB 3.44Å; D951-R955 PolarHBondContact O-N 3.24Å; D951-R955 IonicContact OD2-CZ 3.57Å; D951-R955 IonicContact OD2-NH2 3.01Å; D951-R955 PolarHBondContact OD2-NH2 3.21Å; T952-R955 WeakPolarHBondContact O-CB 3.33Å; T952-R955 PolarHBondContact O-N 2.89Å; R953-R955 VanDerWaalsContact C-N 3.31Å; R953-R955 PolarHBondContact O-N 3.4Å; R955-R958 PolarHBondContact O-N 3.16Å; R955-A959 WeakPolarHBondContact O-CB 3.34Å; R955-A959 PolarHBondContact O-N 3.17Å
956L80.3Confident80Confident111 Ų111105 Ų10558%0.58151%0.509SS*.Hα-helixtrans-66.6-40.1174-78.6166.6000112.5T952 R953 A959 N960T952-L956 PolarHBondContact O-N 3.49Å; R953-L956 PolarHBondContact O-N 3.48Å; L956-A959 PolarHBondContact O-N 3.44Å; L956-N960 VanDerWaalsContact O-CB 3.32Å; L956-N960 WeakPolarHBondContact O-CB 3.35Å; L956-N960 PolarHBondContact O-N 2.89Å
957L80.3Confident79Confident118 Ų118104.3 Ų104.362%0.61851%0.509SS*.Hα-helixtrans-61.3-43.6173.6-92.9151000111.5R953 L954 N960 Y961R953-L957 WeakPolarHBondContact O-CB 3.42Å; R953-L957 PolarHBondContact O-N 3.2Å; L954-L957 PolarHBondContact O-N 3.3Å; L957-N960 PolarHBondContact O-N 3.12Å; L957-Y961 WeakPolarHBondContact O-CB 3.36Å; L957-Y961 PolarHBondContact O-N 2.9Å
958R81.9Confident77.9Confident150 Ų150104.8 Ų104.857%0.56651%0.511SS*.Hα-helixtrans-60.3-49.7172.4-96.1-176.2-83.8-174.8-6.7112L954 R955 N960 Y961 E962L954-R958 PolarHBondContact O-N 3.04Å; R955-R958 PolarHBondContact O-N 3.16Å; R958-N960 VanDerWaalsContact C-N 3.28Å; R958-N960 PolarHBondContact O-N 3.42Å; R958-Y961 WeakPolarHBondContact O-CB 3.29Å; R958-Y961 PolarHBondContact O-N 2.99Å; R958-Y961 VanDerWaalsContact O-N 3.13Å; R958-E962 WeakPolarHBondContact O-CG 3.42Å; R958-E962 PolarHBondContact O-N 3.47Å
959A76.4Confident76.8Confident47 Ų47106.8 Ų106.839%0.38851%0.51SS..Hα-helixtrans-61.1-37.1177.700000112.4R955 L956 K963R955-A959 WeakPolarHBondContact O-CB 3.34Å; R955-A959 PolarHBondContact O-N 3.17Å; L956-A959 PolarHBondContact O-N 3.44Å; A959-K963 WeakPolarHBondContact O-CB 3.29Å; A959-K963 PolarHBondContact O-N 2.85Å
960N78.5Confident75.1Confident99 Ų99107.8 Ų107.853%0.52952%0.516SS..Hα-helixtrans-69.5-37.7174.7-81.6-22000112.3L956 L957 R958 K963 A964L956-N960 VanDerWaalsContact O-CB 3.32Å; L956-N960 WeakPolarHBondContact O-CB 3.35Å; L956-N960 PolarHBondContact O-N 2.89Å; L957-N960 PolarHBondContact O-N 3.12Å; R958-N960 VanDerWaalsContact C-N 3.28Å; R958-N960 PolarHBondContact O-N 3.42Å; N960-K963 PolarHBondContact O-N 3.22Å; N960-A964 WeakPolarHBondContact O-CB 3.24Å; N960-A964 PolarHBondContact O-N 2.79Å
961Y79.6Confident73.2Confident172 Ų172106.2 Ų106.268%0.67551%0.513SS*.Hα-helixtrans-65.2-47.5174.1-171.8-87000111L957 R958 K963 A964 E965L957-Y961 WeakPolarHBondContact O-CB 3.36Å; L957-Y961 PolarHBondContact O-N 2.9Å; R958-Y961 WeakPolarHBondContact O-CB 3.29Å; R958-Y961 PolarHBondContact O-N 2.99Å; R958-Y961 VanDerWaalsContact O-N 3.13Å; Y961-K963 VanDerWaalsContact C-N 3.34Å; Y961-K963 PolarHBondContact O-N 3.38Å; Y961-A964 PolarHBondContact O-N 2.9Å; Y961-E965 WeakPolarHBondContact O-CB 3.35Å; Y961-E965 PolarHBondContact O-N 3.41Å
962E77.3Confident71.4Confident118 Ų118109.8 Ų109.855%0.55153%0.532SS*.Hα-helixtrans-60.6-42.6174.7-73.4172.3-173.600111.6R958 E965 V966R958-E962 WeakPolarHBondContact O-CG 3.42Å; R958-E962 PolarHBondContact O-N 3.47Å; E962-E965 PolarHBondContact O-N 3.18Å; E962-V966 WeakPolarHBondContact O-CB 3.35Å; E962-V966 VanDerWaalsContact O-CG2 3.24Å; E962-V966 WeakPolarHBondContact O-CG2 3.17Å; E962-V966 PolarHBondContact O-N 2.95Å
963K74.4Confident69.4Low139 Ų139112.3 Ų112.360%0.60455%0.547SS*.Hα-helixtrans-63.9-43.2174.9-176.2-179178.9-178.90111.6A959 N960 Y961 V966 L967A959-K963 WeakPolarHBondContact O-CB 3.29Å; A959-K963 PolarHBondContact O-N 2.85Å; N960-K963 PolarHBondContact O-N 3.22Å; Y961-K963 VanDerWaalsContact C-N 3.34Å; Y961-K963 PolarHBondContact O-N 3.38Å; K963-V966 PolarHBondContact O-N 2.87Å; K963-L967 WeakPolarHBondContact O-CB 3.45Å; K963-L967 PolarHBondContact O-N 3.24Å
964A69Low66.7Low55 Ų55113.1 Ų113.146%0.45556%0.555SS.*Hα-helixtrans-64.5-41.1176.900000111.2N960 Y961 L967 E968N960-A964 WeakPolarHBondContact O-CB 3.24Å; N960-A964 PolarHBondContact O-N 2.79Å; Y961-A964 PolarHBondContact O-N 2.9Å; A964-L967 CarbonylContact O-C 3.1Å; A964-L967 PolarHBondContact O-N 3.49Å; A964-E968 WeakPolarHBondContact O-CB 3.37Å; A964-E968 PolarHBondContact O-N 2.84Å
965E73.2Confident64.2Low70 Ų70114.7 Ų114.733%0.32757%0.57SS.*Hα-helixtrans-63-43174.2-171.7-175.6176.600111.4Y961 E962 E968 R969Y961-E965 WeakPolarHBondContact O-CB 3.35Å; Y961-E965 PolarHBondContact O-N 3.41Å; E962-E965 PolarHBondContact O-N 3.18Å; E965-E968 PolarHBondContact O-N 3.28Å; E965-R969 WeakPolarHBondContact O-CB 3.47Å; E965-R969 VanDerWaalsContact O-CG 3.29Å; E965-R969 WeakPolarHBondContact O-CG 3.25Å; E965-R969 PolarHBondContact O-N 3.36Å; E965-R969 IonicContact OE1-CZ 2.7Å; E965-R969 VanDerWaalsContact OE1-CZ 3.3Å; E965-R969 IonicContact OE1-NE 2.66Å; E965-R969 IonicContact OE1-NH2 3.48Å; E965-R969 PolarHBondContact OE1-NH2 2.95Å
966V68.8Low61.7Low77 Ų77116.8 Ų116.847%0.46758%0.583SS.*Hα-helixtrans-64.9-39.4174169.60000111.1E962 K963 R969 L970E962-V966 WeakPolarHBondContact O-CB 3.35Å; E962-V966 VanDerWaalsContact O-CG2 3.24Å; E962-V966 WeakPolarHBondContact O-CG2 3.17Å; E962-V966 PolarHBondContact O-N 2.95Å; K963-V966 PolarHBondContact O-N 2.87Å; V966-R969 PolarHBondContact O-N 3.44Å; V966-L970 HydrophobicContact CG1-CD1 3.79Å; V966-L970 WeakPolarHBondContact O-CB 3.05Å; V966-L970 PolarHBondContact O-N 2.96Å
967L63.6Low59.5Low102 Ų102119.5 Ų119.553%0.53460%0.598SS.*Hα-helixtrans-67.1-36.3175.7-143.494000111.8K963 A964 L970 T971K963-L967 WeakPolarHBondContact O-CB 3.45Å; K963-L967 PolarHBondContact O-N 3.24Å; A964-L967 CarbonylContact O-C 3.1Å; A964-L967 PolarHBondContact O-N 3.49Å; L967-L970 PolarHBondContact O-N 3.45Å; L967-T971 WeakPolarHBondContact O-CB 2.94Å; L967-T971 WeakPolarHBondContact O-CG2 3.39Å; L967-T971 PolarHBondContact O-N 2.82Å; L967-T971 PolarHBondContact O-OG1 2.71Å
968E59.7Low57.1Low132 Ų132117.2 Ų117.262%0.61760%0.603SS**Hα-helixtrans-66.8-43.1174.3-165.2173.1-16700110.7A964 E965 L970 T971 L972A964-E968 WeakPolarHBondContact O-CB 3.37Å; A964-E968 PolarHBondContact O-N 2.84Å; E965-E968 PolarHBondContact O-N 3.28Å; E968-L970 VanDerWaalsContact C-N 3.34Å; E968-L970 PolarHBondContact O-N 2.8Å; E968-T971 VanDerWaalsContact CA-OG1 3.29Å; E968-T971 WeakPolarHBondContact CA-OG1 3.31Å; E968-T971 PolarHBondContact O-N 3.21Å; E968-T971 PolarHBondContact O-OG1 2.95Å; E968-T971 VanDerWaalsContact O-OG1 3.05Å; E968-L972 PolarHBondContact O-N 3.42Å
969R62.8Low54.3Low164 Ų164121.7 Ų121.762%0.61962%0.62SS**Hα-helixtrans-63.2-36.4171.9-71.9176.7179.1-175.95112.9E965 V966 T973E965-R969 WeakPolarHBondContact O-CB 3.47Å; E965-R969 VanDerWaalsContact O-CG 3.29Å; E965-R969 WeakPolarHBondContact O-CG 3.25Å; E965-R969 PolarHBondContact O-N 3.36Å; E965-R969 IonicContact OE1-CZ 2.7Å; E965-R969 VanDerWaalsContact OE1-CZ 3.3Å; E965-R969 IonicContact OE1-NE 2.66Å; E965-R969 IonicContact OE1-NH2 3.48Å; E965-R969 PolarHBondContact OE1-NH2 2.95Å; V966-R969 PolarHBondContact O-N 3.44Å; R969-T973 PolarHBondContact O-OG1 3.33Å
970L50.1Low52.1Low104 Ų104125.1 Ų125.155%0.54564%0.636SS.*Hα-helixtrans-76.2-31.6175.7-89.6154.1000113.1V966 L967 E968 L972 T973V966-L970 HydrophobicContact CG1-CD1 3.79Å; V966-L970 WeakPolarHBondContact O-CB 3.05Å; V966-L970 PolarHBondContact O-N 2.96Å; L967-L970 PolarHBondContact O-N 3.45Å; E968-L970 VanDerWaalsContact C-N 3.34Å; E968-L970 PolarHBondContact O-N 2.8Å; L970-L972 VanDerWaalsContact C-N 3.28Å; L970-L972 PolarHBondContact O-N 3.45Å; L970-T973 CarbonylContact O-C 3.51Å; L970-T973 PolarHBondContact O-N 2.87Å; L970-T973 VanDerWaalsContact O-N 3.1Å; L970-T973 PolarHBondContact O-OG1 3.47Å
971T44.7Very low49.5Very low72 Ų72129.3 Ų129.344%0.44265%0.653SS.*Hα-helixtrans-74.1-20.5178.6400000113L967 E968 T973L967-T971 WeakPolarHBondContact O-CB 2.94Å; L967-T971 WeakPolarHBondContact O-CG2 3.39Å; L967-T971 PolarHBondContact O-N 2.82Å; L967-T971 PolarHBondContact O-OG1 2.71Å; E968-T971 VanDerWaalsContact CA-OG1 3.29Å; E968-T971 WeakPolarHBondContact CA-OG1 3.31Å; E968-T971 PolarHBondContact O-N 3.21Å; E968-T971 PolarHBondContact O-OG1 2.95Å; E968-T971 VanDerWaalsContact O-OG1 3.05Å; T971-T973 PolarHBondContact O-N 3.11Å
972L45.4Very low47Very low148 Ų148125.8 Ų125.878%0.77565%0.653SS**THydrogen-bonded Turntrans-74.4-6.8167.5-79.1158.6000113.9E968 L970E968-L972 PolarHBondContact O-N 3.42Å; L970-L972 VanDerWaalsContact C-N 3.28Å; L970-L972 PolarHBondContact O-N 3.45Å
973T42.2Very low44.6Very low107 Ų107126.2 Ų126.266%0.65666%0.664SS**SBendtrans-125.668.2177.847.80000111R969 L970 T971R969-T973 PolarHBondContact O-OG1 3.33Å; L970-T973 CarbonylContact O-C 3.51Å; L970-T973 PolarHBondContact O-N 2.87Å; L970-T973 VanDerWaalsContact O-N 3.1Å; L970-T973 PolarHBondContact O-OG1 3.47Å; T971-T973 PolarHBondContact O-N 3.11Å
974K28.6Very low42.4Very low160 Ų160126.4 Ų126.470%0.69667%0.671SS**  trans-100.1139.5171.1-88.3178.8176.9170.30110.6
975P31.3Very low40.4Very low124 Ų124130 Ų13081%0.80568%0.683SS**  -137132.793.332.9-18.2000115.5
976K28.6Very low38.4Very low184 Ų184134.4 Ų134.480%0.871%0.708SS**  trans33.7117.5138.2-71.4-179.1174.9177.30120.8
977N33Very low36.2Very low168 Ų168137.2 Ų137.290%0.89872%0.719SS**  trans137.8122.3138.8-72.4-13.3000107.7
978G30.7Very low34.6Very low69 Ų69137.3 Ų137.371%0.71173%0.727SS**  cis153.7132.36.500000106.2
979R23.6Very low33Very low244 Ų244137.5 Ų137.592%0.92173%0.733SS**  trans63.6128.2167.2-108.8173.6175.5165.4-2.6114.9
980T28.2Very low31.3Very low120 Ų120137.8 Ų137.874%0.73674%0.743SS**  cis-165146.446.323.80000111.2
981Q25Very low30.2Very low186 Ų186137.1 Ų137.187%0.86975%0.748SS**  trans-21.9132.7152.2-80.7155.9-33.400115.8
982S27.9Very low29.3Very low99 Ų99138.9 Ų138.969%0.69276%0.762SS**  trans-154.1104.5139.7-1750000109.1L984S982-L984 PolarHBondContact O-N 2.89Å
983T26.4Very low28.3Very low127 Ų127137.2 Ų137.278%0.77976%0.759SS**  trans-56.3107.1156.1-13.50000107.4
984L28.7Very low27.4Very low142 Ų142138.5 Ų138.574%0.74377%0.766SS**  trans-102.390166.5-99.7160.2000107.4S982 L986S982-L984 PolarHBondContact O-N 2.89Å; L984-L986 PolarHBondContact O-N 3.25Å
985D26Very low27.2Very low131 Ų131140.9 Ų140.970%0.70177%0.773SS**  trans-55.7111.7150.6-76.9-42.4000107.8I987D985-I987 VanDerWaalsContact C-N 3.29Å; D985-I987 PolarHBondContact O-N 2.93Å
986L31.2Very low27Very low163 Ų163141 Ų14185%0.85377%0.766SS**  trans-8881.3160.9-77.5169.2000107.8L984L984-L986 PolarHBondContact O-N 3.25Å
987I22.8Very low26.8Very low136 Ų136140.1 Ų140.170%0.69777%0.77SS**  trans-81.7120.7145.1-64.8171.4000106.2D985D985-I987 VanDerWaalsContact C-N 3.29Å; D985-I987 PolarHBondContact O-N 2.93Å
988S30.5Very low26.5Very low103 Ų103137.5 Ų137.572%0.7276%0.761SS**  trans177.393.9152.9-74.30000106.3
989D24.8Very low26.1Very low137 Ų137139.4 Ų139.473%0.73376%0.763SS**  73.1107.195.1-78.9-20.3000112.6
990M28.8Very low26.2Very low169 Ų169133.5 Ų133.583%0.83375%0.754SS**  trans-169.799.1136-93.7-61.4104.300109.2
991S26.7Very low26Very low91 Ų91130.5 Ų130.564%0.63675%0.747SS**  trans76.5105.9132.4-48.20000121
992S25.5Very low26Very low108 Ų108129.2 Ų129.276%0.75574%0.744SS**  56.4109.6119.1-450000117
993T23.4Very low25.8Very low114 Ų114132.6 Ų132.670%0.69975%0.747SS**  -169.8114.754.226.50000108.1Y995T993-Y995 VanDerWaalsContact C-N 3.32Å; T993-Y995 PolarHBondContact O-N 2.77Å; T993-Y995 VanDerWaalsContact O-N 3.11Å
994T23.1Very low25.7Very low133 Ų133134.2 Ų134.282%0.81675%0.75SS**  trans-73.292.1157.2-45.90000106.4N996T994-N996 PolarHBondContact O-N 3.44Å
995Y25.5Very low25.4Very low211 Ų211132.4 Ų132.483%0.82774%0.744SS**  trans-72.7108.9161.2-107.8-85.4000107.1T993T993-Y995 VanDerWaalsContact C-N 3.32Å; T993-Y995 PolarHBondContact O-N 2.77Å; T993-Y995 VanDerWaalsContact O-N 3.11Å
996N26.4Very low25.2Very low125 Ų125135 Ų13567%0.66875%0.752SS**  trans-45.7138173-73.9-42.8000111.2T994 V998T994-N996 PolarHBondContact O-N 3.44Å; N996-V998 PolarHBondContact O-N 2.74Å
997N25.4Very low24.8Very low166 Ų166131.8 Ų131.889%0.88874%0.743SS**  trans-43.991.9148.6-80.7-30.6000109.4S999N997-S999 PolarHBondContact O-N 2.94Å; N997-S999 VanDerWaalsContact O-N 3.14Å
998V25.4Very low24.7Very low114 Ų114134.4 Ų134.469%0.69175%0.752SS**  trans-79.193.7155.1177.80000105N996 T1000N996-V998 PolarHBondContact O-N 2.74Å; V998-T1000 PolarHBondContact O-N 2.73Å
999S23.3Very low24.5Very low108 Ų108134.8 Ų134.876%0.75576%0.755SS**  trans-48.485.8151.6174.60000109.5N997 G1001N997-S999 PolarHBondContact O-N 2.94Å; N997-S999 VanDerWaalsContact O-N 3.14Å; S999-G1001 PolarHBondContact O-N 3.38Å; S999-G1001 VanDerWaalsContact O-N 3.1Å
1000T25.1Very low24.5Very low120 Ų120132.4 Ų132.474%0.73675%0.754SS**  trans-77.370.4149.222.90000107.7V998 I1002V998-T1000 PolarHBondContact O-N 2.73Å; T1000-I1002 PolarHBondContact O-N 3.26Å; T1000-I1002 VanDerWaalsContact O-N 3.07Å
1001G23.5Very low24.2Very low58 Ų58129.7 Ų129.760%0.59875%0.752SS**  trans-68.988.9149.700000107.4S999 K1003S999-G1001 PolarHBondContact O-N 3.38Å; S999-G1001 VanDerWaalsContact O-N 3.1Å; G1001-K1003 PolarHBondContact O-N 3.49Å
1002I25.4Very low24.2Very low158 Ų158129.1 Ų129.181%0.8176%0.761SS**  trans-72.490.2155.3-63.8178.5000105T1000T1000-I1002 PolarHBondContact O-N 3.26Å; T1000-I1002 VanDerWaalsContact O-N 3.07Å
1003K24.2Very low24Very low171 Ų171130.9 Ų130.974%0.74376%0.761SS**  trans-63.1127.6174.8-158174-175.4179.30107.7G1001 V1005G1001-K1003 PolarHBondContact O-N 3.49Å; K1003-V1005 HydrophobicContact CB-CG2 4.43Å; K1003-V1005 HydrophobicContact CG-CG2 4.5Å; K1003-V1005 PolarHBondContact O-N 2.87Å
1004L23.3Very low24Very low161 Ų161135.4 Ų135.484%0.84377%0.772SS**  trans-44.6113.8155.6-98.485.6000108.1
1005V22.4Very low23.9Very low103 Ų103133.1 Ų133.162%0.62476%0.761SS**  trans-129.7104.5164179.30000106.4K1003 S1007K1003-V1005 HydrophobicContact CB-CG2 4.43Å; K1003-V1005 HydrophobicContact CG-CG2 4.5Å; K1003-V1005 PolarHBondContact O-N 2.87Å; V1005-S1007 PolarHBondContact O-N 3.46Å; V1005-S1007 VanDerWaalsContact O-N 3.12Å
1006H22.1Very low24Very low186 Ų186129.2 Ų129.286%0.86176%0.764SS**  trans-46.2114.7151-74.7-77.6000108.3
1007S24.1Very low23.8Very low95 Ų95131.5 Ų131.566%0.66477%0.768SS**  trans-123.9113.6162.6-52.90000107.1V1005V1005-S1007 PolarHBondContact O-N 3.46Å; V1005-S1007 VanDerWaalsContact O-N 3.12Å
1008E21Very low23.8Very low191 Ų191130 Ų13089%0.89376%0.76SS**  trans-49.9137159.3-71.9165.7128.100110.5
1009S26.3Very low23.7Very low112 Ų112133.4 Ų133.478%0.78377%0.765SS**  trans-151.583.8156-62.70000104.2
1010A23.7Very low23.8Very low87 Ų87135.4 Ų135.472%0.71977%0.766SS**  59.510688.900000112.5
1011S23.4Very low23.7Very low112 Ų112134.1 Ų134.178%0.78376%0.762SS**  trans49.796.8140.163.70000118.2
1012G25.1Very low23.6Very low79 Ų79136.9 Ų136.981%0.81477%0.772SS**  trans-121.9100.3145.900000108.2F1014G1012-F1014 PolarHBondContact O-N 2.92Å
1013D22.4Very low23.6Very low144 Ų144135.3 Ų135.377%0.7777%0.77SS**  trans-53.4123.4175.8-75.8-49.6000112.4
1014F24.1Very low23.4Very low209 Ų209136.1 Ų136.192%0.91778%0.776SS**  trans-140.889.4140.7-102.5-79000109.4G1012 C1016G1012-F1014 PolarHBondContact O-N 2.92Å; F1014-C1016 PolarHBondContact O-N 3.47Å
1015S21Very low23.6Very low85 Ų85135.4 Ų135.459%0.59477%0.772SS**  trans-61.5110.5163.21430000110.1
1016C27.3Very low23.6Very low130 Ų130138.4 Ų138.488%0.87878%0.779SS**  trans-110.8110.1146-85.70000108.3F1014F1014-C1016 PolarHBondContact O-N 3.47Å
1017K22Very low23.7Very low173 Ų173136.3 Ų136.375%0.75277%0.774SS**  trans-70.4139.8-175.2-66.2166.7172.2169.60112.7
1018N25.4Very low23.8Very low135 Ų135139.9 Ų139.972%0.72279%0.786SS**  149.1103.2120.2-85.3-21.8000109.6
1019K22.6Very low23.9Very low185 Ų185137.7 Ų137.780%0.80478%0.779SS**  73100.391.3-82-170.4176.2-175.20113.4
1020L25.2Very low23.8Very low150 Ų150137 Ų13779%0.78577%0.774SS**  163.398.2121.8-104.8105000105.7
1021S22.5Very low24Very low93 Ų93142 Ų14265%0.6578%0.78SS**  38103.288.472.60000113.8
1022S22.5Very low24.2Very low115 Ų115144.7 Ų144.780%0.80478%0.784SS**  trans46.198.6137.1-47.70000117.8
1023V25.2Very low24.2Very low125 Ų125147.5 Ų147.576%0.75878%0.78SS**  trans-126.991.1142.8179.30000107.6I1025V1023-I1025 HydrophobicContact CG1-CB 4.45Å; V1023-I1025 HydrophobicContact CG1-CD1 4.09Å; V1023-I1025 HydrophobicContact CG1-CG1 3.86Å
1024E20.8Very low24.4Very low188 Ų188148.4 Ų148.488%0.87978%0.78SS**  trans-78.3108.4152.4-172.7175.4-149.300106
1025I26.8Very low24.5Very low147 Ų147146.1 Ų146.175%0.75478%0.775SS**  trans-132.8105.3158-63.9-179.1000108.2V1023V1023-I1025 HydrophobicContact CG1-CB 4.45Å; V1023-I1025 HydrophobicContact CG1-CD1 4.09Å; V1023-I1025 HydrophobicContact CG1-CG1 3.86Å
1026Q22.8Very low24.6Very low166 Ų166145.1 Ų145.178%0.77678%0.779SS**  trans-12.5137.6153.4-77.1167.5-38.300118.1
1027N23.8Very low24.5Very low142 Ų142146 Ų14676%0.75978%0.78SS**  17.3108.8124.7-84.4-16.3000116.7
1028N26.2Very low24.7Very low169 Ų169141.9 Ų141.990%0.90478%0.778SS**  trans-139.9105.7135.8-88.4-45.6000110.1
1029L23.3Very low24.6Very low145 Ų145141 Ų14176%0.75978%0.783SS**  trans-49.2145155-111.279000111.3
1030S23.5Very low24.7Very low97 Ų97141.8 Ų141.868%0.67879%0.786SS**  trans68.9136.6139.671.80000120.1
1031K27.3Very low24.8Very low194 Ų194140.7 Ų140.784%0.84379%0.788SS**  trans82.7107.2-177.2-56173.1178176.10111.7
1032I29Very low25Very low167 Ų167141 Ų14186%0.85680%0.796SS**  -142.2112.758.8-72.1154000110
1033D25.2Very low25Very low138 Ų138139.1 Ų139.174%0.73880%0.795SS**  trans-59.6135.6150.1-74.2-56.1000109.3
1034H26.6Very low25.1Very low164 Ų164142.1 Ų142.176%0.75980%0.798SS**  -179.4119.6123.2-94.1-49.4000113.4
1035I25.6Very low25.2Very low160 Ų160138.4 Ų138.482%0.82179%0.793SS**  trans75113.9142-50.8159.2000115.6
1036G22.9Very low25.1Very low65 Ų65139.8 Ų139.867%0.6779%0.793SS**  cis167.9122.4500000107.9
1037T25.6Very low25.1Very low148 Ų148136.5 Ų136.591%0.90879%0.789SS**  trans-146.698.8170.916.50000109
1038A25.2Very low25.2Very low87 Ų87136.9 Ų136.972%0.71979%0.791SS**  trans7.3106.8155.600000117.5K1040A1038-K1040 PolarHBondContact O-N 2.87Å
1039S25Very low25.2Very low116 Ų116136.4 Ų136.481%0.81179%0.786SS**  trans16.593.1133.455.90000116.5
1040K24.2Very low25.4Very low201 Ų201133.6 Ų133.687%0.87479%0.785SS**PPolyproline II helixtrans-87.9124.5150.8-84.3-177.9175179.40108.2A1038A1038-K1040 PolarHBondContact O-N 2.87Å
1041P26.2Very low25.5Very low127 Ų127135.8 Ų135.883%0.82579%0.793SS**PPolyproline II helixtrans-70.5133-178.128.9-32.5000110.3
1042A26.7Very low25.4Very low100 Ų100135 Ų13583%0.82679%0.793SS**PPolyproline II helixtrans-62143.2171.400000110.8
1043G22.7Very low25.2Very low75 Ų75136.6 Ų136.677%0.77379%0.794SS**PPolyproline II helixtrans-62.8155.3-177.900000114.5
1044K28Very low25.2Very low189 Ų189136.2 Ų136.282%0.82280%0.8SS**  trans-128.3123.1149.8-85.1-176.6176.41790108.5F1046K1044-F1046 HydrophobicContact CB-CE2 4.43Å
1045S22Very low25.2Very low110 Ų110134.9 Ų134.977%0.76980%0.798SS**  trans-56131165.250.10000111.3
1046F25.9Very low25.6Very low176 Ų176133.3 Ų133.377%0.77280%0.799SS**  trans-135.992.1158.7-83-79.8000108.4K1044K1044-F1046 HydrophobicContact CB-CE2 4.43Å
1047S22.2Very low25.9Very low97 Ų97141.3 Ų141.368%0.67881%0.809SS**  trans-67.6144.5145.639.70000108.9
1048D25.8Very low25.9Very low150 Ų150138.4 Ų138.480%0.80280%0.795SS**  trans67.589.9165.9-53.8-27.9000118.8
1049I26.5Very low26.2Very low158 Ų158142.5 Ų142.581%0.8180%0.799SS**  trans-126108.9142.8-61.3-179.9000108.3
1050A27Very low26.1Very low87 Ų87148.8 Ų148.872%0.71980%0.804SS**  trans-56.5140.417400000112Q1052A1050-Q1052 PolarHBondContact O-N 2.85Å
1051V26.3Very low26.3Very low142 Ų142146.6 Ų146.686%0.86180%0.801SS**  trans-6694.6171.9179.40000109
1052Q25.2Very low26.1Very low179 Ų179146.1 Ų146.184%0.83680%0.799SS**  trans-85.3114.8170.5-157.9171.11000109A1050 C1054A1050-Q1052 PolarHBondContact O-N 2.85Å; Q1052-C1054 PolarHBondContact O-N 3.21Å
1053K23.8Very low25.8Very low200 Ų200149.1 Ų149.187%0.8780%0.8SS**PPolyproline II helixtrans-58.1122.3175.1-70.8175.5175.7177.20110.4
1054C24.8Very low25.9Very low130 Ų130153.4 Ų153.488%0.87881%0.806SS**PPolyproline II helixtrans-92126.2166.7-72.60000110.5Q1052Q1052-C1054 PolarHBondContact O-N 3.21Å
1055D27.1Very low25.7Very low135 Ų135152.7 Ų152.772%0.72281%0.805SS**PPolyproline II helixtrans-72.1135.6-177.5-169.4-13.2000111.9R1057D1055-R1057 VanDerWaalsContact C-N 3.3Å; D1055-R1057 PolarHBondContact O-N 3.45Å; D1055-R1057 VanDerWaalsContact O-N 3.09Å
1056P35.2Very low26Very low127 Ų127152.9 Ų152.983%0.82581%0.806SS**SBendtrans-86.736.2-168.623.5-11.8000115.1
1057R27.5Very low26.2Very low233 Ų233150.3 Ų150.388%0.87981%0.81SS**  trans-109.860.4175.9-77.9-176.5167178.9-1.3113.1D1055D1055-R1057 VanDerWaalsContact C-N 3.3Å; D1055-R1057 PolarHBondContact O-N 3.45Å; D1055-R1057 VanDerWaalsContact O-N 3.09Å
1058S27.3Very low26.3Very low88 Ų88149.7 Ų149.762%0.61582%0.819SS**  trans-155.6105.2164.1164.80000108.9
1059H30.7Very low26.3Very low173 Ų173149.7 Ų149.780%0.80182%0.819SS**  trans156.970.3146-76.1-53000109.6
1060R22.9Very low26.1Very low247 Ų247150.4 Ų150.493%0.93282%0.821SS**  trans-84.1111.3148.3-86.2-173.1174.8-156.9-0.5106.6
1061I27.7Very low26Very low156 Ų156155.1 Ų155.180%0.883%0.825SS**  trans-130.3125.8155.2-62.7-177.7000107.6
1062C23.4Very low25.9Very low117 Ų117156.7 Ų156.779%0.79182%0.823SS**  trans-68.6151.1-172-71.50000113.8
1063L20.9Very low25.8Very low162 Ų162158 Ų15885%0.84882%0.82SS**  trans-51.6129.3167.6-67.9139.3000112
1064N23.9Very low25.9Very low166 Ų166152.7 Ų152.789%0.88881%0.807SS**  trans-124.8130.3153.5-88.4-25.5000109
1065H23.8Very low25.9Very low173 Ų173152.3 Ų152.380%0.80180%0.803SS**  trans-67.8158.6-178.7-70.8-86.2000112.6
1066S27.5Very low26.1Very low115 Ų115155.1 Ų155.180%0.80480%0.804SS**  trans96.3129.7161.475.10000118.6
1067S29.8Very low25.6Very low122 Ų122154.3 Ų154.385%0.85380%0.802SS**  trans71.9101.1177.969.10000117D1069S1067-D1069 PolarHBondContact O-N 2.81Å
1068G25.6Very low25.6Very low84 Ų84147 Ų14787%0.86679%0.787SS**  trans-81.891178.200000111.9
1069D25.2Very low25.6Very low150 Ų150149.7 Ų149.780%0.80279%0.793SS**  trans-92.6118.5150.4-92.3-29.9000108.3S1067 K1071S1067-D1069 PolarHBondContact O-N 2.81Å; D1069-K1071 PolarHBondContact O-N 2.87Å
1070M22.4Very low25.3Very low172 Ų172148.3 Ų148.385%0.84780%0.797SS**  trans-55.592.7172.4-79.9-92.5175.100109.9
1071K26.1Very low25.5Very low186 Ų186140 Ų14081%0.80978%0.781SS**  trans-107.9109.2163.3-83.9-170.6175.7-177.90110.1D1069D1069-K1071 PolarHBondContact O-N 2.87Å
1072E24.2Very low25.4Very low176 Ų176138.2 Ų138.282%0.82278%0.779SS**  trans50.787.6146.3-75.2173.1144.400115.6
1073W22.3Very low25.6Very low205 Ų205139.4 Ų139.478%0.77778%0.783SS**  trans-53.9125.5157.9-75.169.3000109.8
1074P25.3Very low25.8Very low90 Ų90135.9 Ų135.958%0.58477%0.771SS**  trans-69.3151.3173.928.3-31.1000110.2Y1076P1074-Y1076 PolarHBondContact O-N 3.13Å; P1074-Y1076 VanDerWaalsContact O-N 3.08Å
1075P25.7Very low26.2Very low122 Ų122134.3 Ų134.379%0.79277%0.77SS**  trans-73.2106.3-17229.4-32000109.8S1077P1075-S1077 VanDerWaalsContact C-N 3.28Å; P1075-S1077 PolarHBondContact O-N 2.81Å
1076Y30Very low26.4Very low193 Ų193129.1 Ų129.176%0.75776%0.763SS**  trans-72.486.3167.6-84.7-84.9000109.9P1074P1074-Y1076 PolarHBondContact O-N 3.13Å; P1074-Y1076 VanDerWaalsContact O-N 3.08Å
1077S25.3Very low26.2Very low110 Ų110126.8 Ų126.877%0.76976%0.758SS**  trans-94.467.7157.161.20000109.4P1075P1075-S1077 VanDerWaalsContact C-N 3.28Å; P1075-S1077 PolarHBondContact O-N 2.81Å
1078S26.8Very low26.1Very low81 Ų81128.4 Ų128.457%0.56676%0.756SS**SBendtrans176.7138.8157.357.80000109.2
1079I27.6Very low26.2Very low143 Ų143133.5 Ų133.573%0.73375%0.754SS**  trans93.779.1172.9-45.4159.7000113.3A1081I1079-A1081 VanDerWaalsContact C-N 3.32Å; I1079-A1081 HydrophobicContact CG2-CB 4.43Å; I1079-A1081 PolarHBondContact O-N 3.5Å
1080T25.5Very low26.3Very low145 Ų145135.6 Ų135.689%0.8976%0.757SS**  trans-46.194.6137.832.40000110.2
1081A27.1Very low26.7Very low72 Ų72135.9 Ų135.960%0.59576%0.756SS**  trans-91.6128160.900000108.6I1079 V1083I1079-A1081 VanDerWaalsContact C-N 3.32Å; I1079-A1081 HydrophobicContact CG2-CB 4.43Å; I1079-A1081 PolarHBondContact O-N 3.5Å; A1081-V1083 PolarHBondContact O-N 3.37Å
1082P24.8Very low26.9Very low118 Ų118134.7 Ų134.777%0.76676%0.758SS**  trans-70.4117.8-174.727.7-31.9000109.9S1084P1082-S1084 PolarHBondContact O-N 3.34Å
1083V26.8Very low27Very low143 Ų143134.8 Ų134.887%0.86776%0.758SS**  trans-68.6108.4172.2-169.50000107.5A1081A1081-V1083 PolarHBondContact O-N 3.37Å
1084S25.1Very low27.5Very low87 Ų87134.9 Ų134.961%0.60876%0.764SS**  trans-63.6159.1-177.2-50.10000112.2P1082 G1086P1082-S1084 PolarHBondContact O-N 3.34Å; S1084-G1086 PolarHBondContact O-N 2.81Å
1085P33.4Very low27.9Very low133 Ų133135 Ų13586%0.86477%0.772SS**G310 helixtrans-66.512.4-173.1-18.131.8000116.4
1086G27.8Very low28Very low64 Ų64137.7 Ų137.766%0.6678%0.779SS**G310 helixtrans-79.2-12.4179.700000115.2S1084 L1088S1084-G1086 PolarHBondContact O-N 2.81Å; G1086-L1088 PolarHBondContact O-N 3.36Å
1087G23.4Very low28Very low67 Ų67134 Ų13469%0.69178%0.782SS**G310 helixtrans-82.5-6-172.500000116.7
1088L27.4Very low28.1Very low156 Ų156132.2 Ų132.282%0.81778%0.781SS**G310 helixtrans-102.518.6-176.1-74.6169.3000114.1G1086G1086-L1088 PolarHBondContact O-N 3.36Å
1089K27.4Very low28.5Very low190 Ų190133.5 Ų133.583%0.82679%0.785SS**  trans-104.586167.9-73.2-172178-176.90109.7
1090K27.4Very low28.8Very low195 Ų195130.3 Ų130.385%0.84878%0.776SS**SBendtrans170.9117.3140.3-94.8163.4-178.6-1730110.4N1092K1090-N1092 PolarHBondContact O-N 2.92Å
1091E32.4Very low29.3Very low178 Ų178129.8 Ų129.883%0.83277%0.766SS**  trans19.692.6149.8-66.6174.6151.600116.1
1092N28.5Very low29.5Very low160 Ų160130.3 Ų130.386%0.85676%0.764SS**  trans-169.658.1148.5-88.5-30000109.9K1090K1090-N1092 PolarHBondContact O-N 2.92Å
1093H27.6Very low30.1Very low179 Ų179132.3 Ų132.383%0.82976%0.761SS**  trans-97.475.5170-69.8-55.9000110.3
1094K33Very low30.5Very low206 Ų206129.4 Ų129.490%0.89674%0.737SS**  trans-13719.1165.5-90.3-168.4178.8177.90114.6
1095A31.9Very low31Very low92 Ų92128.6 Ų128.676%0.7673%0.731SS**  trans-116.757.5-17900000112.6
1096L29.6Very low31.1Very low179 Ų179126.4 Ų126.494%0.93772%0.719SS**  trans-149.671.1164.9-73.1178.7000109.7
1097S28.3Very low31.4Very low117 Ų117132 Ų13282%0.81872%0.72SS**  trans-147.592.5165.462.60000108.8
1098G28.7Very low32Very low72 Ų72135.1 Ų135.174%0.74271%0.714SS**SBendtrans-18015.9-177.500000118.7
1099T34.4Very low32Very low107 Ų107130.1 Ų130.166%0.65670%0.701SS**SBendtrans-159.1139.8167.331.20000110.4H1104T1099-H1104 PolarHBondContact OG1-NE2 3.37Å
1100S34.4Very low32.4Very low76 Ų76129.8 Ų129.853%0.53169%0.694SS.*  trans-64.9138.6-17068.40000112.6P1102 F1103S1100-P1102 VanDerWaalsContact C-N 3.28Å; S1100-F1103 PolarHBondContact O-N 2.95Å; S1100-F1103 VanDerWaalsContact O-N 3.1Å
1101I35.3Very low32.5Very low135 Ų135126.7 Ų126.769%0.69269%0.686SS**Hα-helixtrans-50.3-35.1179-64.1166.8000113.9F1103 H1104 S1105I1101-F1103 VanDerWaalsContact C-N 3.32Å; I1101-F1103 PolarHBondContact O-N 2.98Å; I1101-H1104 PolarHBondContact O-N 3.39Å; I1101-S1105 PolarHBondContact O-N 2.73Å
1102P33.1Very low32.5Very low83 Ų83124.3 Ų124.354%0.53968%0.678SS.*Hα-helixtrans-63.1-33.1177.5-22.533.5000114.3S1100 S1105 C1106S1100-P1102 VanDerWaalsContact C-N 3.28Å; P1102-S1105 PolarHBondContact O-N 3.43Å; P1102-S1105 PolarHBondContact O-OG 3.15Å; P1102-C1106 PolarHBondContact O-N 3.34Å; P1102-C1106 VanDerWaalsContact O-N 3.1Å
1103F36.2Very low32.6Very low160 Ų160123.7 Ų123.770%0.70267%0.673SS**Hα-helixtrans-73.5-34.2-178.2-142.4-86.1000111.4S1100 I1101 R1107S1100-F1103 PolarHBondContact O-N 2.95Å; S1100-F1103 VanDerWaalsContact O-N 3.1Å; I1101-F1103 VanDerWaalsContact C-N 3.32Å; I1101-F1103 PolarHBondContact O-N 2.98Å; F1103-R1107 PolarHBondContact O-N 2.95Å
1104H35.7Very low32.7Very low82 Ų82119.4 Ų119.438%0.3866%0.663SS.*Hα-helixtrans-76-37.2173.5-74.6-69.5000111.9T1099 I1101 R1107 F1108T1099-H1104 PolarHBondContact OG1-NE2 3.37Å; I1101-H1104 PolarHBondContact O-N 3.39Å; H1104-R1107 PolarHBondContact O-N 2.79Å; H1104-F1108 HydrophobicContact CB-CD2 4.44Å; H1104-F1108 WeakPolarHBondContact O-CB 3.39Å; H1104-F1108 WeakPolarHBondContact O-CD2 3.35Å; H1104-F1108 PolarHBondContact O-N 3.4Å
1105S34.6Very low32.6Very low69 Ų69115 Ų11548%0.48366%0.656SS.*Hα-helixtrans-64.7-40.717771.10000112.5I1101 P1102 R1107 F1108 G1109I1101-S1105 PolarHBondContact O-N 2.73Å; P1102-S1105 PolarHBondContact O-N 3.43Å; P1102-S1105 PolarHBondContact O-OG 3.15Å; S1105-R1107 VanDerWaalsContact C-N 3.31Å; S1105-R1107 PolarHBondContact O-N 3.33Å; S1105-F1108 PolarHBondContact O-N 3.23Å; S1105-G1109 PolarHBondContact O-N 2.81Å
1106C35.4Very low32.5Very low88 Ų88118.4 Ų118.460%0.59566%0.661SS**Hα-helixtrans-62.4-39.4173.7-77.50000112P1102 G1109 R1110P1102-C1106 PolarHBondContact O-N 3.34Å; P1102-C1106 VanDerWaalsContact O-N 3.1Å; C1106-G1109 PolarHBondContact O-N 3.05Å; C1106-R1110 WeakPolarHBondContact O-CG 3.42Å; C1106-R1110 PolarHBondContact O-N 3.38Å
1107R34.5Very low32.3Very low181 Ų181112.7 Ų112.768%0.68365%0.645SS**Hα-helixtrans-72.3-33.3179.2-155.9176.8179.3-176.4-0.3112.8F1103 H1104 S1105F1103-R1107 PolarHBondContact O-N 2.95Å; H1104-R1107 PolarHBondContact O-N 2.79Å; S1105-R1107 VanDerWaalsContact C-N 3.31Å; S1105-R1107 PolarHBondContact O-N 3.33Å
1108F35.7Very low32.4Very low133 Ų133115 Ų11558%0.58365%0.648SS**Hα-helixtrans-76.3-33.4173.2-83.7-71.7000112.4H1104 S1105 R1110 L1111 I1112H1104-F1108 HydrophobicContact CB-CD2 4.44Å; H1104-F1108 WeakPolarHBondContact O-CB 3.39Å; H1104-F1108 WeakPolarHBondContact O-CD2 3.35Å; H1104-F1108 PolarHBondContact O-N 3.4Å; S1105-F1108 PolarHBondContact O-N 3.23Å; F1108-R1110 VanDerWaalsContact C-N 3.27Å; F1108-R1110 PolarHBondContact O-N 2.85Å; F1108-L1111 PolarHBondContact O-N 3.22Å; F1108-I1112 PolarHBondContact O-N 2.7Å
1109G28.6Very low32.4Very low51 Ų51119.9 Ų119.953%0.52665%0.652SS.*Hα-helixtrans-60.9-34.9172.300000112.8S1105 C1106 L1111S1105-G1109 PolarHBondContact O-N 2.81Å; C1106-G1109 PolarHBondContact O-N 3.05Å; G1109-L1111 PolarHBondContact O-N 2.86Å
1110R34.9Very low32Very low183 Ų183119.8 Ų119.869%0.69166%0.662SS**THydrogen-bonded Turntrans-68.2-14.7173-72.3-177.5179.2-174.11.6114.4E331 C1106 F1108E331-R1110 IonicContact OE1-NH2 2.8Å; E331-R1110 PolarHBondContact OE1-NH2 2.88Å; C1106-R1110 WeakPolarHBondContact O-CG 3.42Å; C1106-R1110 PolarHBondContact O-N 3.38Å; F1108-R1110 VanDerWaalsContact C-N 3.27Å; F1108-R1110 PolarHBondContact O-N 2.85Å
1111L29.9Very low31.7Very low129 Ų129125 Ų12568%0.67568%0.675SS**THydrogen-bonded Turntrans-105.5-9.3-175-85.2163.2000114.3F1108 G1109 I1113F1108-L1111 PolarHBondContact O-N 3.22Å; G1109-L1111 PolarHBondContact O-N 2.86Å; L1111-I1113 PolarHBondContact O-N 3.37Å; L1111-I1113 VanDerWaalsContact O-N 3.15Å
1112I33.4Very low31.2Very low129 Ų129126.7 Ų126.766%0.66268%0.68SS**  trans-89.782176.8-56.1173.8000108.1F1108 S1114F1108-I1112 PolarHBondContact O-N 2.7Å; I1112-S1114 PolarHBondContact O-N 3.1Å
1113I30.1Very low31Very low146 Ų146131.2 Ų131.275%0.74970%0.699SS**  trans-70.2102.6154.3-59.4170.8000104.9L1111 P1115L1111-I1113 PolarHBondContact O-N 3.37Å; L1111-I1113 VanDerWaalsContact O-N 3.15Å; I1113-P1115 WeakPolarHBondContact O-CD 3.39Å
1114S28.6Very low30.4Very low90 Ų90133.7 Ų133.763%0.62970%0.704SS**  trans-64.9119.2155.9-74.20000105.8I1112 D1116I1112-S1114 PolarHBondContact O-N 3.1Å; S1114-D1116 PolarHBondContact O-N 2.82Å; S1114-D1116 VanDerWaalsContact O-N 3.16Å
1115P31.1Very low29.8Very low113 Ų113134.8 Ų134.873%0.73472%0.72SS**  trans-62.4122169.3-923.8000106.3I1113 G1117I1113-P1115 WeakPolarHBondContact O-CD 3.39Å; P1115-G1117 PolarHBondContact O-N 2.88Å
1116D29.7Very low29.4Very low164 Ų164138 Ų13888%0.87773%0.731SS**  trans-56.891164.1-73.5-38.9000107.2S1114 D1118S1114-D1116 PolarHBondContact O-N 2.82Å; S1114-D1116 VanDerWaalsContact O-N 3.16Å; D1116-D1118 PolarHBondContact O-N 3.27Å
1117G26.6Very low28.7Very low58 Ų58138.8 Ų138.860%0.59873%0.733SS**  trans-88.258.7-17800000110.9P1115 E1119P1115-G1117 PolarHBondContact O-N 2.88Å; G1117-E1119 PolarHBondContact O-N 3.45Å
1118D30.2Very low28.3Very low165 Ų165140 Ų14088%0.88274%0.739SS**  trans-72.958.6154.8-89.1-22000108.7D1116D1116-D1118 PolarHBondContact O-N 3.27Å
1119E27.3Very low27.7Very low175 Ų175141.5 Ų141.582%0.81875%0.748SS**  trans-167.947.5167.3-111.2173.2-145.700110.9G1117 K1121G1117-E1119 PolarHBondContact O-N 3.45Å; E1119-K1121 PolarHBondContact O-N 2.81Å
1120A27.4Very low27.4Very low106 Ų106146.9 Ų146.988%0.87676%0.761SS**  trans-76.457.2159.100000110.1
1121K27.3Very low26.8Very low185 Ų185143.8 Ų143.880%0.80476%0.763SS**SBendtrans-114.1108167.4-81.8-175.6179.5175.70109E1119E1119-K1121 PolarHBondContact O-N 2.81Å
1122E25.9Very low26.4Very low170 Ų170145.4 Ų145.479%0.79477%0.767SS**  trans55.758.7156.7-58.8-171177.500118R1124E1122-R1124 VanDerWaalsContact C-N 3.28Å; E1122-R1124 PolarHBondContact O-N 3.01Å
1123L27.2Very low25.9Very low179 Ų179147.9 Ų147.994%0.93777%0.773SS**  trans-79.692.3141-78.1173.9000107.7S1125L1123-S1125 PolarHBondContact O-N 2.92Å
1124R24.2Very low25.5Very low212 Ų212148 Ų14880%0.877%0.774SS**  trans-39.1128164.5-70.4-177.2-172.7179.22.7108.6E1122 I1126E1122-R1124 VanDerWaalsContact C-N 3.28Å; E1122-R1124 PolarHBondContact O-N 3.01Å; R1124-I1126 VanDerWaalsContact C-N 3.33Å; R1124-I1126 PolarHBondContact O-N 3.39Å
1125S23.9Very low25.1Very low105 Ų105154.8 Ų154.873%0.73479%0.787SS**  trans-45.698.5162.922.90000109.2L1123 T1127L1123-S1125 PolarHBondContact O-N 2.92Å; S1125-T1127 PolarHBondContact O-N 2.98Å
1126I24.9Very low24.7Very low137 Ų137154.9 Ų154.970%0.70379%0.791SS**  trans-68.988.5151.5-62.9177000103.8R1124 Y1128R1124-I1126 VanDerWaalsContact C-N 3.33Å; R1124-I1126 PolarHBondContact O-N 3.39Å; I1126-Y1128 HydrophobicContact CG2-CD2 4.33Å; I1126-Y1128 HydrophobicContact CG2-CE2 4.12Å; I1126-Y1128 PolarHBondContact O-N 3.17Å
1127T20.8Very low24.2Very low104 Ų104151.4 Ų151.464%0.63879%0.785SS**  trans-51.192.5162.9-57.80000107.4S1125 Q1129S1125-T1127 PolarHBondContact O-N 2.98Å; T1127-Q1129 VanDerWaalsContact C-N 3.29Å; T1127-Q1129 HydrophobicContact CG2-CG 4.12Å; T1127-Q1129 PolarHBondContact O-N 3.23Å; T1127-Q1129 VanDerWaalsContact O-N 3.08Å
1128Y26.7Very low24.1Very low207 Ų207154.8 Ų154.881%0.81280%0.796SS**  trans-66.3103.2151-76.2-82.8000105I1126 M1130I1126-Y1128 HydrophobicContact CG2-CD2 4.33Å; I1126-Y1128 HydrophobicContact CG2-CE2 4.12Å; I1126-Y1128 PolarHBondContact O-N 3.17Å; Y1128-M1130 PolarHBondContact O-N 3.38Å
1129Q22.7Very low23.7Very low163 Ų163152.5 Ų152.576%0.76279%0.793SS**  trans-57.392.7166.7-82.3-176.6-1500107.9T1127 T1131T1127-Q1129 VanDerWaalsContact C-N 3.29Å; T1127-Q1129 HydrophobicContact CG2-CG 4.12Å; T1127-Q1129 PolarHBondContact O-N 3.23Å; T1127-Q1129 VanDerWaalsContact O-N 3.08Å; Q1129-T1131 PolarHBondContact O-N 3.03Å; Q1129-T1131 VanDerWaalsContact O-N 3.13Å
1130M21.9Very low23.5Very low164 Ų164153.5 Ų153.581%0.80880%0.795SS**  trans-83.774.3164.8-149.6162.3177.900105.3Y1128 H1132Y1128-M1130 PolarHBondContact O-N 3.38Å; M1130-H1132 PolarHBondContact O-N 3.48Å
1131T23.9Very low23.2Very low119 Ų119154.3 Ų154.373%0.7379%0.789SS**  trans-66.489.7169.943.30000108Q1129 K1133Q1129-T1131 PolarHBondContact O-N 3.03Å; Q1129-T1131 VanDerWaalsContact O-N 3.13Å; T1131-K1133 VanDerWaalsContact C-N 3.32Å; T1131-K1133 PolarHBondContact O-N 3.35Å
1132H20.9Very low22.8Very low163 Ų163153.8 Ų153.876%0.75579%0.79SS**  trans-56.4100148.4-83.2-91.2000107.7M1130M1130-H1132 PolarHBondContact O-N 3.48Å
1133K22.8Very low22.6Very low181 Ų181152.1 Ų152.179%0.78779%0.786SS**  167.3135.7126.3-93169.4-179.4-178.30111.8T1131T1131-K1133 VanDerWaalsContact C-N 3.32Å; T1131-K1133 PolarHBondContact O-N 3.35Å
1134L21.7Very low22.2Very low147 Ų147151.4 Ų151.477%0.7778%0.778SS**  trans70.3107.9150-68.7157.7000116.7S1136L1134-S1136 PolarHBondContact O-N 3.29Å; L1134-S1136 VanDerWaalsContact O-N 3.09Å
1135Y19.9Very low22Very low233 Ų233147.6 Ų147.691%0.91477%0.773SS**  -6.3104.3128-92.9-96.5000112.6
1136S22Very low21.9Very low116 Ų116151 Ų15181%0.81178%0.778SS**  trans-148.1121.3149.8-80.20000106.8L1134L1134-S1136 PolarHBondContact O-N 3.29Å; L1134-S1136 VanDerWaalsContact O-N 3.09Å
1137A21Very low21.8Very low91 Ų91152 Ų15275%0.75278%0.784SS**  trans-58.2150.7-168.900000112.5
1138P22.9Very low21.8Very low128 Ų128153 Ų15383%0.83179%0.789SS**  trans-83.5126.2167.933.4-27.3000108.6
1139S21.4Very low21.5Very low117 Ų117151.7 Ų151.782%0.81879%0.791SS**  trans-162.9136.2147.635.90000111.3
1140K23.4Very low21.6Very low196 Ų196153 Ų15385%0.85280%0.799SS**  trans-65.9142.4170.4-73.4169.3168.4177.30109.8
1141T21.2Very low21.5Very low124 Ų124153.3 Ų153.376%0.76180%0.799SS**  trans-3.3134.6147.748.40000119
1142E19.2Very low21.4Very low174 Ų174154.4 Ų154.481%0.81380%0.799SS**  trans94.5127.2149.4-72.7177.6175.400121.3
1143N21Very low21.5Very low135 Ų135153.6 Ų153.672%0.72280%0.8SS**  trans71.3117.9140.9-67.7-15.7000122.9
1144E18.8Very low21.4Very low163 Ų163151.4 Ų151.476%0.76280%0.802SS**  35.6131.7126.5-67.9-170.9161.400122.2
1145N21.6Very low21.4Very low132 Ų132150.1 Ų150.171%0.70680%0.803SS**  trans98.3118.7143.2-66.3-33.2000121.2
1146Q21.6Very low21.5Very low177 Ų177142.7 Ų142.783%0.82779%0.789SS**  trans94.8143.1139.3-73.6176.317.300122.5
1147L22.2Very low21.6Very low158 Ų158143 Ų14383%0.82779%0.787SS**  trans81.695.4175.9-80.1126.7000116.5
1148V21.9Very low21.5Very low124 Ų124143.2 Ų143.275%0.75278%0.782SS**  74.6116.872.2178.10000113.5
1149E20Very low21.6Very low181 Ų181144.6 Ų144.685%0.84678%0.781SS**  trans-5127.7164.2-66.6171.8160.900119.3
1150M24.3Very low21.5Very low189 Ų189143.8 Ų143.893%0.93178%0.776SS**  trans-149.3111.4133.6-140.9170.476.400109.9
1151E20.2Very low21.5Very low172 Ų172140.4 Ų140.480%0.80477%0.771SS**  trans-62.2172.4166.1-71.3-174.7129.100112.4
1152L20.7Very low21.4Very low142 Ų142142.6 Ų142.674%0.74377%0.773SS**  trans85.788.3164.4-65.2154.9000115.7
1153N22.7Very low21.6Very low146 Ų146142.2 Ų142.278%0.78177%0.771SS**  -17297.993.4-84.6-31.1000111P1155N1153-P1155 WeakPolarHBondContact O-CD 3.11Å
1154T22.1Very low21.5Very low134 Ų134142.4 Ų142.482%0.82277%0.768SS**  trans-79.4123.9157.6-7.30000108.2
1155P21.4Very low21.7Very low121 Ų121142.3 Ų142.379%0.78677%0.765SS**  trans-105.494.3141.329.6-18.9000106.5N1153N1153-P1155 WeakPolarHBondContact O-CD 3.11Å
1156A21.5Very low21.7Very low76 Ų76144.8 Ų144.863%0.62877%0.772SS**  trans-66.3131.7149.200000107
1157T24.1Very low21.7Very low123 Ų123144.4 Ų144.476%0.75577%0.77SS**  161.6122.7108.8-49.80000108
1158S20.1Very low21.9Very low95 Ų95144.4 Ų144.466%0.66477%0.771SS**  trans-50.8161.1161.141.70000114.3
1159I24Very low22.1Very low157 Ų157143.2 Ų143.281%0.80577%0.768SS**  trans121.4124.2150-56.4156.4000114.1
1160S19.7Very low22.4Very low101 Ų101144.2 Ų144.271%0.70677%0.773SS**  trans-41.8140.5167-48.90000115.4
1161T23.2Very low22.5Very low124 Ų124140.7 Ų140.776%0.76177%0.766SS**  166.1133.8109.635.70000110.7
1162E18.6Very low22.7Very low171 Ų171139.7 Ų139.780%0.79977%0.772SS**  trans41.3137.7141.1-60.2-177.8162.500123.6
1163H23Very low23Very low165 Ų165138.4 Ų138.476%0.76478%0.775SS**  trans97.7115152-81-69.6000122
1164E20.1Very low23.3Very low140 Ų140139.6 Ų139.665%0.65478%0.78SS**  trans59.9121.5137.2-90.2-169.1121.400122.9
1165K22.7Very low23.4Very low160 Ų160137.1 Ų137.170%0.69678%0.781SS**  trans94.9119.7133.3-81.5173.4173.2138.30120.8
1166Q21.9Very low23.6Very low184 Ų184139.1 Ų139.186%0.8678%0.784SS**  trans94.4113.3136.6-86.8-178.4-3400121.1
1167H21.5Very low23.9Very low169 Ų169141.2 Ų141.278%0.78279%0.791SS**  trans-40137162.1-81.3-89.6000117.4
1168N26.2Very low24.1Very low159 Ų159144.5 Ų144.585%0.8579%0.791SS**  -165.7114.7127-84-26000105.3
1169S25.4Very low24.3Very low99 Ų99147 Ų14769%0.69280%0.796SS**  65.274.256.8-51.50000113.9
1170E27.3Very low24.4Very low202 Ų202144.1 Ų144.194%0.94479%0.787SS**  trans-117.9133.6155.7-105.1-179.2176.200110.1
1171S26Very low24.7Very low114 Ų114147.6 Ų147.680%0.79779%0.792SS**  trans-118.8142.3-166.245.40000109.3
1172V25.2Very low24.8Very low152 Ų152148.1 Ų148.192%0.92180%0.796SS**  trans-107122.6175.9175.60000109.2
1173S25.2Very low25.1Very low114 Ų114145.1 Ų145.180%0.79779%0.791SS**  trans-73.2137.9-171.2-55.30000114.7
1174L29Very low25.2Very low172 Ų172141.2 Ų141.290%0.90179%0.787SS**  trans-111.7119.1161.5-102.6146.6000107.8
1175G24.7Very low25.5Very low81 Ų81144.2 Ų144.284%0.83579%0.794SS**  trans-74.8124.6-174.100000113.9
1176L26.3Very low25.6Very low164 Ų164144.6 Ų144.686%0.85980%0.8SS**  trans-92.2134.9167.1-89.3142.4000109.9Y1178L1176-Y1178 PolarHBondContact O-N 3.27Å
1177P26.8Very low26Very low119 Ų119144.1 Ų144.177%0.77380%0.803SS**  trans-74.6113.9169.829.5-29.5000109.9
1178Y28.3Very low26.3Very low192 Ų192142.8 Ų142.875%0.75380%0.801SS**PPolyproline II helixtrans-62.2121.8179.1176.4-102.9000112.5L1176 P1180L1176-Y1178 PolarHBondContact O-N 3.27Å; Y1178-P1180 HydrophobicContact CE1-CB 4.26Å
1179I26.1Very low26.1Very low149 Ų149144 Ų14476%0.76480%0.804SS**PPolyproline II helixtrans-102130.9162.9-63.5175.2000106.6E1181I1179-E1181 PolarHBondContact O-N 3.29Å
1180P25.7Very low26.3Very low96 Ų96143.1 Ų143.162%0.62380%0.803SS**PPolyproline II helixtrans-72.8121.9-166.5-6.723.2000111Y1178 T1182Y1178-P1180 HydrophobicContact CE1-CB 4.26Å; P1180-T1182 PolarHBondContact O-N 3.29Å
1181E25Very low26.5Very low173 Ų173141.6 Ų141.681%0.80880%0.801SS**PPolyproline II helixtrans-67.6119.2160.6-72.5-177.5159.300108.6I1179 P1183I1179-E1181 PolarHBondContact O-N 3.29Å; E1181-P1183 WeakPolarHBondContact O-CD 3.44Å
1182T26Very low26.4Very low136 Ų136144.3 Ų144.383%0.83481%0.806SS**PPolyproline II helixtrans-51.2122.3165.51.80000109.4P1180P1180-T1182 PolarHBondContact O-N 3.29Å
1183P25.7Very low26.4Very low108 Ų108142.6 Ų142.670%0.70180%0.8SS**PPolyproline II helixtrans-66.3149.9178.6-15.429000111.5E1181E1181-P1183 WeakPolarHBondContact O-CD 3.44Å
1184A25Very low26.4Very low83 Ų83148.6 Ų148.669%0.68681%0.806SS**  trans-62.1-171.5-179.500000114.8
1185Y26.2Very low26.1Very low202 Ų202145.5 Ų145.579%0.79280%0.798SS**  trans97.8105.3156.261.9-103.1000120.8
1186M24.5Very low26.2Very low169 Ų169148 Ų14883%0.83380%0.802SS**  trans83.995139.6-52.4-122.776.400120.1
1187L29.7Very low26.2Very low174 Ų174145.6 Ų145.691%0.91180%0.798SS**  trans-129.393.7144.4-91.7167000110.5
1188N28.2Very low26.1Very low141 Ų141144.1 Ų144.175%0.75480%0.797SS**  trans40107149.7-82-17.4000122.6
1189M21.9Very low26Very low184 Ų184145.3 Ų145.391%0.90680%0.801SS**  trans-53.3129.4131.3-79.1-82.3-176.900112.2
1190A29.8Very low26.3Very low81 Ų81147.5 Ų147.567%0.66981%0.808SS**  trans-14898.1152.900000108.4
1191N31.1Very low26.4Very low170 Ų170151 Ų15191%0.90982%0.82SS**  trans-170.689.9140.4-91.1-26.8000109.3
1192L23.9Very low26.4Very low171 Ų171147 Ų14790%0.89582%0.816SS**  trans-66.7132.6169.5-80.2136.3000110.7
1193S25.3Very low26.4Very low115 Ų115147 Ų14780%0.80482%0.816SS**  trans-153.6106.8146.2-80.60000109.3
1194R25.2Very low26.4Very low240 Ų240148.4 Ų148.491%0.90682%0.823SS**  trans39.4121.7149.5-61.1176.5176.3-159.9-1.6116.3
1195S23.7Very low26.9Very low107 Ų107149.5 Ų149.575%0.74882%0.823SS**  cis-175.2135.141.145.60000108.6
1196C26.1Very low26.8Very low134 Ų134147.2 Ų147.291%0.90582%0.824SS**  trans177.9152.6137.6-94.50000110.5
1197S25.6Very low26.5Very low113 Ų113148.5 Ų148.579%0.7983%0.825SS**  trans-70.7150.4-156.352.30000117Y1199S1197-Y1199 PolarHBondContact O-N 3.28Å
1198A24.7Very low26.1Very low89 Ų89147.6 Ų147.674%0.73682%0.82SS**  trans-68.2110.9164.600000111.7
1199Y27.3Very low25.7Very low217 Ų217145 Ų14585%0.85181%0.813SS**  trans-155.832.6156-138.7-94.4000114.9S1197S1197-Y1199 PolarHBondContact O-N 3.28Å
1200E31.3Very low25.6Very low195 Ų195141.4 Ų141.491%0.91180%0.804SS**  trans-137.948.5169.2-75.2-170.4156.900112.3
1201I28.2Very low25.1Very low168 Ų168146.2 Ų146.286%0.86281%0.81SS**  trans-103.879.4157.8-56.2173.1000106.6
1202A25.6Very low24.6Very low89 Ų89142.4 Ų142.474%0.73680%0.797SS**  trans-167.45517300000115.1
1203T26.5Very low24.4Very low136 Ų136140.9 Ų140.983%0.83479%0.789SS**SBendtrans-154.795155.524.60000112.5
1204V25.1Very low24.2Very low138 Ų138142 Ų14284%0.83679%0.786SS**  trans82134.4136.8-170.80000118.9
1205P35.7Very low24Very low106 Ų106134.8 Ų134.869%0.68877%0.772SS**  trans-110.1177.8-159.141.3-28000113
1206L22.9Very low24Very low155 Ų155138 Ų13881%0.81278%0.78SS**  trans16297.2145.1-86.3156.5000107
1207K18.9Very low23.8Very low196 Ų196136 Ų13685%0.85277%0.768SS**  32120.685.5-93.7-171.3-179.4179.20114.5
1208L20.8Very low23.6Very low155 Ų155136 Ų13681%0.81276%0.763SS**  trans148.7108.9137.7-81155.1000107.9
1209S19.5Very low23.6Very low86 Ų86140.5 Ų140.560%0.60177%0.766SS**  88117.278.2173.90000112.3
1210C21.2Very low23.3Very low109 Ų109136.4 Ų136.474%0.73676%0.759SS**  153.794.7127.1-83.30000106.3
1211K19Very low22.8Very low182 Ų182132.5 Ų132.579%0.79175%0.748SS**  62.8131.980.8-75.6-169.9169.7-177.80112.4
1212S19.5Very low22.7Very low90 Ų90132.3 Ų132.363%0.62975%0.748SS**  trans69136.3142.942.60000116.7
1213D21Very low22.4Very low138 Ų138132.4 Ų132.474%0.73874%0.743SS**  cis-174.9156.411.2-105.8-20.8000109.2
1214L21.1Very low22.2Very low139 Ų139130.8 Ų130.873%0.72874%0.738SS**  trans63.6106.7148.5-87.484.3000118.5
1215S21Very low21.9Very low88 Ų88130.5 Ų130.562%0.61574%0.736SS**  78.7116.574.177.70000114.6
1216L23.4Very low21.3Very low174 Ų174130.6 Ų130.691%0.91174%0.74SS**  178.6130.5129.9-113.792.6000104.1
1217S22.4Very low21.3Very low93 Ų93130.4 Ų130.465%0.6574%0.74SS**  cis-165.5119131470000106.1
1218T21.1Very low21.6Very low114 Ų114127.7 Ų127.770%0.69974%0.744SS**  63.611199.414.10000117.4
1219K23.1Very low21.6Very low183 Ų183124.5 Ų124.580%0.79674%0.735SS**  162.3109.5115.2-89.7172.2-178.1179.30109.4
1220N22.5Very low21.6Very low131 Ų131129.8 Ų129.870%0.70175%0.747SS**  75.6108.596.6-71.82.3000112.7
1221T19.8Very low22.2Very low112 Ų112129.4 Ų129.469%0.68774%0.743SS**  73.3111.293.3-42.10000112.6
1222L25.9Very low22.3Very low164 Ų164129 Ų12986%0.85975%0.746SS**  trans16797.9150.4-91.9144.7000105.1
1223S20.7Very low22.5Very low91 Ų91131.8 Ų131.864%0.63675%0.754SS**  51.3112.270.9-44.80000112.8
1224S20.9Very low22.6Very low103 Ų103131.9 Ų131.972%0.7275%0.754SS**  trans87.2120.4140.9-53.50000119.8
1225T20.2Very low22.9Very low131 Ų131132.6 Ų132.680%0.80476%0.759SS**  trans80.3128.3131.251.80000121.5
1226S21.6Very low23.1Very low109 Ų109137.7 Ų137.776%0.76277%0.77SS**  trans105.3113.9136.778.30000118.2
1227N22.8Very low23.4Very low151 Ų151134.4 Ų134.481%0.80776%0.76SS**  trans17.7117.2136.2-62.4-14.9000117.3
1228C26.2Very low23.6Very low138 Ų138139.7 Ų139.793%0.93277%0.771SS**  trans-146.9106.9135.7-99.60000110
1229S20.1Very low24Very low89 Ų89142.4 Ų142.462%0.62277%0.773SS**  trans-72156.7165.8-43.30000110.9
1230F21.1Very low24.2Very low197 Ų197143.4 Ų143.486%0.86478%0.778SS**  trans89.2150.4158-60.4-72.6000119.5
1231P33.7Very low24.7Very low101 Ų101147.4 Ų147.466%0.65678%0.784SS**  cis-131.3151.1-19.826.4-5.3000114.7N1233P1231-N1233 PolarHBondContact O-N 3.44Å
1232M19.6Very low25.1Very low172 Ų172145.1 Ų145.185%0.84778%0.783SS**  trans-57.4116.7152.2-86.1-92.6174.300109.5
1233N24.9Very low25.3Very low149 Ų149146.9 Ų146.980%0.79778%0.784SS**  trans-113.593.8162.2-112.5-3.9000108.5P1231 D1235P1231-N1233 PolarHBondContact O-N 3.44Å; N1233-D1235 PolarHBondContact O-N 3.05Å
1234N23.2Very low25.6Very low140 Ų140154.6 Ų154.675%0.74980%0.799SS**  trans-70.3107.5154.1-81.8-37.6000107.1
1235D27.9Very low25.9Very low155 Ų155155.5 Ų155.583%0.82980%0.8SS**  trans-154.7108.4147.4-98.4-31.3000110.8N1233 P1237N1233-D1235 PolarHBondContact O-N 3.05Å; D1235-P1237 WeakPolarHBondContact O-CD 3.35Å
1236K24.3Very low26.2Very low194 Ų194154.7 Ų154.784%0.84380%0.797SS**  trans-76.1121.1166.3-78.3176.8174.1175.90108.8K1238K1236-K1238 PolarHBondContact O-N 3.44Å
1237P30.3Very low26.6Very low106 Ų106159.3 Ų159.369%0.68880%0.803SS**  trans-77.4115162.328.8-27.5000109.5D1235 F1239D1235-P1237 WeakPolarHBondContact O-CD 3.35Å; P1237-F1239 PolarHBondContact O-N 2.75Å; P1237-F1239 VanDerWaalsContact O-N 3.12Å
1238K26.9Very low27Very low203 Ų203161.7 Ų161.788%0.88381%0.806SS**  trans-6797.6171.2-71.4173.7177.3170.70110.1K1236 K1240K1236-K1238 PolarHBondContact O-N 3.44Å; K1238-K1240 PolarHBondContact O-N 3.32Å
1239F28.7Very low27.2Very low172 Ų172163.2 Ų163.275%0.75481%0.805SS**  trans-86.4106.5161.9-90.4-84.8000110.3P1237 Y1241P1237-F1239 PolarHBondContact O-N 2.75Å; P1237-F1239 VanDerWaalsContact O-N 3.12Å; F1239-Y1241 PolarHBondContact O-N 2.81Å
1240K28.1Very low27.6Very low204 Ų204167.8 Ų167.889%0.88782%0.816SS**  trans-70101.8169.7-71.9176.7176176.40109.2K1238K1238-K1240 PolarHBondContact O-N 3.32Å
1241Y31.3Very low28.1Very low214 Ų214168.3 Ų168.384%0.83982%0.818SS**  trans-91.3110.6158.3-83.3-81.6000109.1F1239F1239-Y1241 PolarHBondContact O-N 2.81Å
1242G28.9Very low27.8Very low64 Ų64174.9 Ų174.966%0.6683%0.829SS**  trans-63.9131.7174.900000111.3W1244G1242-W1244 PolarHBondContact O-N 3.38Å
1243K30.7Very low28.4Very low202 Ų202172 Ų17288%0.87883%0.826SS**  trans-62.1112.8170.9-83.1177.5172.51770109.7V1245K1243-V1245 PolarHBondContact O-N 3.44Å
1244W26Very low28.7Very low253 Ų253173 Ų17396%0.95882%0.823SS**  trans-68.6117.2161.3-84.971.4000108.8G1242G1242-W1244 PolarHBondContact O-N 3.38Å
1245V26.7Very low29.3Very low122 Ų122175.2 Ų175.274%0.73983%0.829SS**  trans-95.7115.7172.8177.60000107.7K1243 K1247K1243-V1245 PolarHBondContact O-N 3.44Å; V1245-K1247 PolarHBondContact O-N 3.39Å
1246P26.9Very low29.4Very low114 Ų114171.6 Ų171.674%0.7483%0.828SS**  trans-68.5120.7172.8-13.728.1000109.6K1248P1246-K1248 PolarHBondContact O-N 2.85Å; P1246-K1248 VanDerWaalsContact O-N 3.17Å
1247K30.1Very low29.6Very low205 Ų205169.4 Ų169.489%0.89183%0.831SS**  trans-58.7113.6173-78.1175.4175174.10109.7V1245 L1249V1245-K1247 PolarHBondContact O-N 3.39Å; K1247-L1249 PolarHBondContact O-N 2.89Å
1248K31.8Very low29.3Very low201 Ų201168.3 Ų168.387%0.87483%0.825SS**  trans-66.9109.8169-77.6-176.5175.1-178.10109.7P1246 H1250P1246-K1248 PolarHBondContact O-N 2.85Å; P1246-K1248 VanDerWaalsContact O-N 3.17Å; K1248-H1250 PolarHBondContact O-N 2.8Å
1249L29.9Very low29.4Very low171 Ų171168.2 Ų168.290%0.89583%0.828SS**  trans-64.7120.7168.9-79.4162000109.8K1247 K1251K1247-L1249 PolarHBondContact O-N 2.89Å; L1249-K1251 PolarHBondContact O-N 3.23Å
1250H27.8Very low29.4Very low185 Ų185165.1 Ų165.186%0.85682%0.819SS**  trans-61.1110.8171-84.78.8000110.7K1248K1248-H1250 PolarHBondContact O-N 2.8Å
1251K33.6Very low29.4Very low208 Ų208163.1 Ų163.190%0.90482%0.817SS**  trans-89.9107154.2-85.4-174.5175.5-179.10108.2L1249 S1253L1249-K1251 PolarHBondContact O-N 3.23Å; K1251-S1253 PolarHBondContact O-N 3.48Å
1252R25.7Very low29.1Very low239 Ų239161.1 Ų161.190%0.90281%0.813SS**  trans-59.9118.5165-87175.7164-176.4-3.5108.4
1253S32.6Very low29Very low110 Ų110164.7 Ų164.777%0.76982%0.816SS**  trans-119.3121.5156.2-177.80000107.3K1251K1251-S1253 PolarHBondContact O-N 3.48Å
1254K31.5Very low28.7Very low171 Ų171164.5 Ų164.574%0.74382%0.815SS**  trans-86.2149.1169.3-72.9-179.9173.9-178.90107.2
1255H36.4Very low28.9Very low187 Ų187158.9 Ų158.987%0.86681%0.808SS**  trans91.499.7-168.9-48.1-52.1000111.3
1256G28.6Very low28.8Very low79 Ų79156 Ų15681%0.81480%0.803SS**  85.4121.554.900000108
1257V28.4Very low28.7Very low148 Ų148162.3 Ų162.390%0.89781%0.812SS**  cis-152.515114.7161.60000108.1
1258S24.3Very low28.7Very low83 Ų83161.9 Ų161.958%0.5881%0.81SS**  trans-63137.6179.6-155.70000114.1D1260S1258-D1260 PolarHBondContact OG-OD2 3.03Å
1259Q30.3Very low28.6Very low200 Ų200158.8 Ų158.894%0.93580%0.803SS**  trans-126105.3142.6-86.6-171.1-6.800108.4L1261Q1259-L1261 PolarHBondContact O-N 3.36Å
1260D27.6Very low28.3Very low108 Ų108159 Ų15958%0.57880%0.799SS**  trans-65.9120.1173.6-78.8-82.2000111S1258 K1262S1258-D1260 PolarHBondContact OG-OD2 3.03Å; D1260-K1262 IonicContact OD1-NZ 2.87Å
1261L27.7Very low28.2Very low161 Ų161156 Ų15684%0.84380%0.796SS**  trans-125.974.3151.3-104.6149.2000107.9Q1259 I1263Q1259-L1261 PolarHBondContact O-N 3.36Å; L1261-I1263 PolarHBondContact O-N 2.86Å
1262K25.8Very low27.9Very low172 Ų172156.3 Ų156.375%0.74879%0.793SS**  trans-71.896.6165.6-82.8174.6179.9154.30109D1260D1260-K1262 IonicContact OD1-NZ 2.87Å
1263I27.1Very low28Very low140 Ų140149.9 Ų149.972%0.71878%0.782SS**  trans-91.599.4156.3-59.6179.3000107.1L1261 V1265L1261-I1263 PolarHBondContact O-N 2.86Å; I1263-V1265 HydrophobicContact CG2-CG2 4.14Å; I1263-V1265 PolarHBondContact O-N 2.97Å
1264K24.1Very low27.8Very low198 Ų198151 Ų15186%0.86179%0.787SS**  trans-68.7107.3165.3-87.9176.5171.8175.80107.9
1265V29.9Very low27.6Very low134 Ų134148.1 Ų148.181%0.81279%0.788SS**  trans-103.8115.6152.8-1760000106.9I1263I1263-V1265 HydrophobicContact CG2-CG2 4.14Å; I1263-V1265 PolarHBondContact O-N 2.97Å
1266G25.2Very low27.2Very low61 Ų61144.1 Ų144.163%0.62978%0.781SS**  trans-69.8155.2-170.900000113.9F1268G1266-F1268 PolarHBondContact O-N 3.5Å
1267R24.7Very low27Very low248 Ų248147.8 Ų147.894%0.93678%0.782SS**  trans-47.1127.1167.5-62.8176.6-175.2-1580.5111.4
1268F30.4Very low27.1Very low195 Ų195147.8 Ų147.886%0.85578%0.782SS**  trans-109.8107.2148.9-92.2-83.5000109.3G1266G1266-F1268 PolarHBondContact O-N 3.5Å
1269L28.6Very low27Very low137 Ų137152 Ų15272%0.71779%0.793SS**  trans25.2111.4148.8-74.5119.9000120.1
1270E24.1Very low26.8Very low176 Ų176153.4 Ų153.482%0.82279%0.789SS**  trans-24.4128141.6-135.6166.3-170.700114.3Y1272E1270-Y1272 PolarHBondContact O-N 3.13Å
1271P25.9Very low26.5Very low121 Ų121155.6 Ų155.679%0.78680%0.801SS**PPolyproline II helixtrans-70.9121.2169.5-8.424000109.7
1272Y26.7Very low26.6Very low214 Ų214157.8 Ų157.884%0.83980%0.804SS**PPolyproline II helixtrans-60.1139.7171.6-100.1-97.3000111.3E1270E1270-Y1272 PolarHBondContact O-N 3.13Å
1273P29.1Very low26.5Very low104 Ų104158.5 Ų158.568%0.67581%0.81SS**PPolyproline II helixtrans-79.1153.6178.932-33000112.1S1275P1273-S1275 PolarHBondContact O-N 3.2Å
1274P26.8Very low26.5Very low135 Ų135159.5 Ų159.588%0.87782%0.816SS**  trans-81.8116-172.131.4-31.3000111.2
1275S29.1Very low26.5Very low110 Ų110158.5 Ų158.577%0.76981%0.812SS**  trans-98.2106.1165.173.10000110.6P1273P1273-S1275 PolarHBondContact O-N 3.2Å
1276S27.9Very low26.3Very low102 Ų102159.4 Ų159.471%0.71381%0.807SS**  trans25.3115.9140.257.70000120.2
1277N24.3Very low26.4Very low157 Ų157162.8 Ų162.884%0.8481%0.811SS**  25.9103.4128.7-85.5-19.7000118.3
1278V30.1Very low26.7Very low147 Ų147158.3 Ų158.389%0.89181%0.805SS**  trans-133.9104.6140.4-179.90000108.5
1279Q22.3Very low26.7Very low172 Ų172154.8 Ų154.880%0.80481%0.805SS**  trans-76.3128.4162.9-102175-19.800109.5
1280R24.5Very low26.9Very low229 Ų229152.1 Ų152.186%0.86480%0.803SS**  153.8116.4126.9-88.8-178.4-173.7158.33.4112.2
1281N22.9Very low27.4Very low155 Ų155151 Ų15183%0.82980%0.802SS**  trans29.6114.7135.7-59.7-3.3000118.9
1282K29.6Very low27.6Very low206 Ų206155.3 Ų155.390%0.89681%0.809SS**  -163117.3128.5-109.5171.1-178.2-178.70110.3
1283E24.2Very low28.6Very low187 Ų187149.7 Ų149.787%0.87480%0.801SS**  trans-59.7143.5154.5-71.2171.9131.600110.1
1284L26.8Very low29.2Very low162 Ų162149.4 Ų149.485%0.84880%0.797SS**  trans165.997.6149.7-90.8157.2000105.2
1285K24.1Very low29.4Very low177 Ų177154 Ų15477%0.7780%0.797SS**  47.9127.593.2-88.5-164.3175.2-168.70115.1
1286E24.4Very low30Very low152 Ų152156.5 Ų156.571%0.7180%0.796SS**  trans84.4122.5151.3-76.6163.7-165.900120
1287D27.5Very low30.4Very low132 Ų132162 Ų16271%0.70680%0.801SS**  trans70.9103.7142.2-57.3-16.6000119.8
1288N31.7Very low31.4Very low155 Ų155159.7 Ų159.783%0.82979%0.793SS**  -164.3120.6101.1-98.2-49.4000113.5A1290N1288-A1290 PolarHBondContact O-N 3.49Å
1289S30.3Very low31.5Very low120 Ų120163.5 Ų163.584%0.83979%0.791SS**  trans-63.394.8162.850.80000111.3
1290A33Very low32.7Very low82 Ų82159.8 Ų159.868%0.67878%0.784SS**  trans-159.959.8164.700000111.9N1288N1288-A1290 PolarHBondContact O-N 3.49Å
1291N33.3Very low33.6Very low152 Ų152157.4 Ų157.481%0.81378%0.78SS**  trans-152.827.5163.7-100.8-25.2000114.4
1292K31.1Very low34.3Very low211 Ų211157.9 Ų157.992%0.91778%0.783SS**SBendtrans-10181.6161.6-79.3-177.2176.7177.20109.3
1293S47.3Very low34.7Very low96 Ų96160.7 Ų160.767%0.67180%0.795SS**SBendtrans-167-13.8151.862.60000116.1
1294T41.2Very low35.3Very low98 Ų98159.4 Ų159.460%0.60179%0.791SS**SBendtrans-84.7-32.8-175.2-23.30000114
1295W31.2Very low35.7Very low231 Ų231159.2 Ų159.288%0.87579%0.788SS**Hα-helixtrans-74.2-29.7-176.4-83.293.4000114.2R1297W1295-R1297 VanDerWaalsContact C-N 3.34Å; W1295-R1297 PolarHBondContact O-N 3.1Å
1296H41.8Very low36.4Very low163 Ų163158.2 Ų158.276%0.75579%0.789SS**Hα-helixtrans-76.2-16.5179.1-98.8-66000114.3S1300H1296-S1300 PolarHBondContact O-OG 2.84Å
1297R37.8Very low37.1Very low217 Ų217158.6 Ų158.682%0.81979%0.794SS**Hα-helixtrans-82.8-20.2-178.2-163.4177.2-99.5-173.9-5.1113.4W1295W1295-R1297 VanDerWaalsContact C-N 3.34Å; W1295-R1297 PolarHBondContact O-N 3.1Å
1298V43.5Very low37.7Very low109 Ų109160.3 Ų160.366%0.66180%0.799SS**Hα-helixtrans-82.9-31-178.6-178.60000112.1
1299W32.3Very low38.1Very low227 Ų227160.6 Ų160.686%0.8680%0.797SS**Hα-helixtrans-79.9-16.7-177.7-10547.2000114.9
1300S48.5Very low38.6Very low94 Ų94163.5 Ų163.566%0.65779%0.794SS**THydrogen-bonded Turntrans-91.37.9-178.3-44.50000114.8H1296H1296-S1300 PolarHBondContact O-OG 2.84Å
1301K43.7Very low39.1Very low180 Ų180169.8 Ų169.878%0.78380%0.803SS**THydrogen-bonded Turntrans-113.63.2177.8-95.4-169.9175.5-172.60115.7
1302N36.7Very low39.5Very low165 Ų165171.3 Ų171.388%0.88280%0.802SS**  trans-125.849170.1-86-6.7000111.6
1303K39.3Very low40.3Very low264 Ų264167.6 Ų167.6100%1.14879%0.792SS**  trans-117.20148.2-114-172.1180-176.50106

Retrieved 1,303 of 1,303 residues in 654.7 ms (Link to these results)

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