A0A5K4F137_SCHMA Loading...

IMD domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F137, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 653 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
1M42.6Very low50.6Low156 Ų156107.5 Ų107.577%0.76848%0.478SS*.  0-46.80-73-55.4-85.900115.3L4 R5M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 HydrophobicContact SD-CD1 3.79Å; M1-R5 PolarHBondContact O-N 3.12Å; M1-R5 VanDerWaalsContact O-N 3.07Å
2K47.4Very low50.1Low169 Ų169107.7 Ų107.774%0.73548%0.478SS*.Hα-helixtrans-59.9-47.5175.7-74.2-177.1179.8177.20111.7L4 R5 V6K2-L4 PolarHBondContact O-N 3.14Å; K2-R5 WeakPolarHBondContact O-CB 3.27Å; K2-R5 PolarHBondContact O-N 3.17Å; K2-R5 VanDerWaalsContact O-N 3.08Å; K2-V6 WeakPolarHBondContact O-CG2 3.37Å; K2-V6 PolarHBondContact O-N 3.36Å
3V49.4Very low49.5Very low47 Ų47110.5 Ų110.529%0.28549%0.493SS..Hα-helixtrans-55.1-48174.6-178.90000112R5 V6 L7V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 3.25Å; V3-V6 WeakPolarHBondContact O-CB 3.24Å; V3-V6 PolarHBondContact O-N 3.32Å; V3-V6 VanDerWaalsContact O-N 3.1Å; V3-L7 HydrophobicContact CG1-CD1 3.97Å; V3-L7 HydrophobicContact CG1-CG 4.35Å; V3-L7 WeakPolarHBondContact O-CG 3.45Å; V3-L7 PolarHBondContact O-N 3.36Å
4L53.3Low48.9Very low76 Ų76110.9 Ų110.940%0.39851%0.511SS..Hα-helixtrans-57.2-40.2175.1-81.6161.8000113.4M1 K2 K8 L184M1-L4 PolarHBondContact O-N 3.34Å; M1-L4 HydrophobicContact SD-CD1 3.79Å; K2-L4 PolarHBondContact O-N 3.14Å; L4-K8 VanDerWaalsContact O-CB 3.32Å; L4-K8 WeakPolarHBondContact O-CB 3.26Å; L4-K8 PolarHBondContact O-N 2.92Å; L4-L184 HydrophobicContact CD2-CD1 3.51Å; L4-L184 HydrophobicContact CD2-CD2 3.47Å; L4-L184 VanDerWaalsContact CD2-CD2 3.47Å; L4-L184 HydrophobicContact CD2-CG 4.13Å; L4-L184 HydrophobicContact CG-CD2 4.01Å
5R54.9Low48.6Very low155 Ų155111.1 Ų111.159%0.58552%0.518SS*.Hα-helixtrans-67.9-37.7175.7-84-172.6-86.2170.8-10.7112.2M1 K2 V3 R9M1-R5 PolarHBondContact O-N 3.12Å; M1-R5 VanDerWaalsContact O-N 3.07Å; K2-R5 WeakPolarHBondContact O-CB 3.27Å; K2-R5 PolarHBondContact O-N 3.17Å; K2-R5 VanDerWaalsContact O-N 3.08Å; V3-R5 VanDerWaalsContact C-N 3.32Å; V3-R5 PolarHBondContact O-N 3.25Å; R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 3.47Å
6V57.4Low47.8Very low55 Ų55114.8 Ų114.833%0.33354%0.542SS..Hα-helixtrans-66.8-45.3176.1174.40000110.6K2 V3 R10K2-V6 WeakPolarHBondContact O-CG2 3.37Å; K2-V6 PolarHBondContact O-N 3.36Å; V3-V6 WeakPolarHBondContact O-CB 3.24Å; V3-V6 PolarHBondContact O-N 3.32Å; V3-V6 VanDerWaalsContact O-N 3.1Å; V6-R10 WeakPolarHBondContact O-CB 3.43Å; V6-R10 PolarHBondContact O-N 3.17Å; V6-R10 VanDerWaalsContact O-N 3.17Å
7L49.8Very low47.5Very low13 Ų13110.5 Ų110.57%0.06853%0.526CS..Hα-helixtrans-60.1-49175.8-72.2170.9000111.4V3 R10 C11 I36 C180 L184V3-L7 HydrophobicContact CG1-CD1 3.97Å; V3-L7 HydrophobicContact CG1-CG 4.35Å; V3-L7 WeakPolarHBondContact O-CG 3.45Å; V3-L7 PolarHBondContact O-N 3.36Å; L7-R10 PolarHBondContact O-N 3.11Å; L7-C11 WeakPolarHBondContact O-CB 3.31Å; L7-C11 PolarHBondContact O-N 2.86Å; L7-C11 VanDerWaalsContact O-N 3.12Å; L7-C11 PolarHBondContact O-SG 3.47Å; L7-C11 VanDerWaalsContact O-SG 3.33Å; L7-I36 HydrophobicContact CD2-CD1 3.49Å; L7-I36 VanDerWaalsContact CD2-CD1 3.49Å; L7-I36 HydrophobicContact CD2-CG1 3.86Å; L7-I36 HydrophobicContact CD2-CG2 4.1Å; L7-C180 HydrophobicContact CD2-CB 4.18Å; L7-L184 HydrophobicContact CD1-CD1 4.11Å; L7-L184 HydrophobicContact CD1-CD2 4.1Å; L7-L184 HydrophobicContact CD1-CG 4.17Å
8K48.9Very low47.9Very low149 Ų149108.8 Ų108.865%0.64852%0.52SS*.Hα-helixtrans-63.8-42.7-179.1-171.7175.2179.4177.30113.2L4 F12L4-K8 VanDerWaalsContact O-CB 3.32Å; L4-K8 WeakPolarHBondContact O-CB 3.26Å; L4-K8 PolarHBondContact O-N 2.92Å; K8-F12 WeakPolarHBondContact O-CD2 3.47Å
9R52.4Low48.1Very low193 Ų193104.7 Ų104.773%0.72850%0.503SS*.Hα-helixtrans-74.5-28.4-177.8-79.5-172.9-179.3177.6-0.7113.6R5R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 3.47Å
10R53.1Low48.5Very low147 Ų147101.9 Ų101.956%0.55550%0.502SS*.Hα-helixtrans-106.3-17.2-169.4-63.3-171.8175.5172.2-1.7114.9V6 L7 L32V6-R10 WeakPolarHBondContact O-CB 3.43Å; V6-R10 PolarHBondContact O-N 3.17Å; V6-R10 VanDerWaalsContact O-N 3.17Å; L7-R10 PolarHBondContact O-N 3.11Å; R10-L32 HydrophobicContact CB-CD1 4.02Å; R10-L32 HydrophobicContact CB-CD2 3.54Å; R10-L32 HydrophobicContact CB-CG 4.42Å; R10-L32 HydrophobicContact CG-CD1 4.34Å
11C47.7Very low49.3Very low23 Ų23101 Ų10116%0.15550%0.5CS..Hα-helixtrans-99.4-15.5-179.6-54.30000114L7L7-C11 WeakPolarHBondContact O-CB 3.31Å; L7-C11 PolarHBondContact O-N 2.86Å; L7-C11 VanDerWaalsContact O-N 3.12Å; L7-C11 PolarHBondContact O-SG 3.47Å; L7-C11 VanDerWaalsContact O-SG 3.33Å
12F44.3Very low50.4Low109 Ų10994 Ų9448%0.47847%0.465SS..SBendtrans-116.17.3-164.9-64.2-88.4000115.6K8 P14 T177K8-F12 WeakPolarHBondContact O-CD2 3.47Å; F12-P14 WeakPolarHBondContact O-CD 3.49Å; F12-T177 HydrophobicContact CD1-CG2 4.2Å; F12-T177 HydrophobicContact CE1-CG2 3.37Å; F12-T177 HydrophobicContact CZ-CG2 3.67Å
13E41.8Very low51.4Low145 Ų14586.5 Ų86.568%0.67843%0.434SS*.  trans-102.2110.2175.3-88.8176.5171.700111.2D15E13-D15 PolarHBondContact O-N 3.34Å
14P41.4Very low52.6Low115 Ų11587.8 Ų87.875%0.74744%0.441SS*.  trans-82.9104.3173.830.8-30.6000110.8F12F12-P14 WeakPolarHBondContact O-CD 3.49Å
15D44.2Very low53.4Low115 Ų11585.7 Ų85.762%0.61543%0.429SS*.  trans-92.4139.8167.4-65.4-38.7000111.9E13 V17 K25E13-D15 PolarHBondContact O-N 3.34Å; D15-V17 VanDerWaalsContact O-CG2 3.23Å; D15-V17 WeakPolarHBondContact O-CG2 3.42Å; D15-K25 PolarHBondContact O-NZ 3.26Å
16D35.9Very low54.1Low169 Ų16978.6 Ų78.690%0.90440%0.403SS*.  trans-56.6135.1174.5-75.4-37.6000111.6
17V42.7Very low55.1Low42 Ų4279.7 Ų79.726%0.25540%0.401SS..  trans-117.4117.7-166.3-172.40000112.3D15 D21 L22 K25D15-V17 VanDerWaalsContact O-CG2 3.23Å; D15-V17 WeakPolarHBondContact O-CG2 3.42Å; V17-D21 HydrophobicContact CG1-CB 4.02Å; V17-L22 VanDerWaalsContact CG1-CA 3.49Å; V17-L22 HydrophobicContact CG1-CB 3.7Å; V17-L22 HydrophobicContact CG1-CD1 3.68Å; V17-L22 HydrophobicContact CG1-CG 4.34Å; V17-L22 VanDerWaalsContact CG1-N 3.35Å; V17-K25 HydrophobicContact CG2-CD 3.7Å; V17-K25 VanDerWaalsContact CG2-NZ 3.28Å
18N55.2Low56.5Low80 Ų8084.6 Ų84.643%0.42842%0.424SS..  trans-80.5156.7160-163.5-13.3000109.6G20 D21 L22N18-G20 VanDerWaalsContact C-N 3.28Å; N18-G20 PolarHBondContact O-N 3.36Å; N18-D21 HydrophobicContact CB-CB 4.41Å; N18-D21 WeakPolarHBondContact CB-OD2 3.47Å; N18-D21 PolarHBondContact N-OD2 3.24Å; N18-D21 CarbonylContact O-C 3.56Å; N18-D21 VanDerWaalsContact O-CA 3.25Å; N18-D21 WeakPolarHBondContact O-CA 3.47Å; N18-D21 WeakPolarHBondContact O-CB 3.45Å; N18-D21 PolarHBondContact O-N 2.89Å; N18-L22 PolarHBondContact O-N 3.42Å
19V51.3Low57.7Low31 Ų3178.9 Ų78.919%0.18840%0.399CS..Hα-helixtrans-64.2-31.5-171.9-172.30000113.2D21 L22 L117 Y158 T162V19-D21 VanDerWaalsContact C-N 3.29Å; V19-L22 WeakPolarHBondContact O-CB 3.35Å; V19-L22 PolarHBondContact O-N 2.94Å; V19-L117 HydrophobicContact CG1-CD2 3.8Å; V19-L117 HydrophobicContact CG1-CG 4.44Å; V19-Y158 VanDerWaalsContact CB-OH 3.23Å; V19-Y158 WeakPolarHBondContact CB-OH 3.43Å; V19-Y158 HydrophobicContact CG1-CE2 4.35Å; V19-Y158 WeakPolarHBondContact CG1-OH 3.27Å; V19-T162 HydrophobicContact CG1-CG2 4.26Å; V19-T162 HydrophobicContact CG2-CG2 3.73Å
20G56.9Low58.9Low48 Ų4872.7 Ų72.750%0.49538%0.378SS..Hα-helixtrans-64.2-36.1168.900000112.5N18 L22 V24N18-G20 VanDerWaalsContact C-N 3.28Å; N18-G20 PolarHBondContact O-N 3.36Å; G20-L22 VanDerWaalsContact C-N 3.31Å; G20-V24 WeakPolarHBondContact O-CG2 3.5Å; G20-V24 PolarHBondContact O-N 2.91Å
21D65.7Low60.3Low85 Ų8574.3 Ų74.346%0.45538%0.384SS..Hα-helixtrans-71.2-28.3174.3-54.1-32.1000111V17 N18 V19 V24 K25V17-D21 HydrophobicContact CG1-CB 4.02Å; N18-D21 HydrophobicContact CB-CB 4.41Å; N18-D21 WeakPolarHBondContact CB-OD2 3.47Å; N18-D21 PolarHBondContact N-OD2 3.24Å; N18-D21 CarbonylContact O-C 3.56Å; N18-D21 VanDerWaalsContact O-CA 3.25Å; N18-D21 WeakPolarHBondContact O-CA 3.47Å; N18-D21 WeakPolarHBondContact O-CB 3.45Å; N18-D21 PolarHBondContact O-N 2.89Å; V19-D21 VanDerWaalsContact C-N 3.29Å; D21-V24 PolarHBondContact O-N 2.99Å; D21-K25 WeakPolarHBondContact O-CA 3.32Å; D21-K25 WeakPolarHBondContact O-CB 3.33Å; D21-K25 PolarHBondContact O-N 3.32Å
22L64.6Low61.6Low8 Ų874.4 Ų74.44%0.04238%0.383CS..Hα-helixtrans-63.1-49.4-179.9-166.275.8000111.9V17 N18 V19 G20 K25 T26 L117 L165 V166 M169V17-L22 VanDerWaalsContact CG1-CA 3.49Å; V17-L22 HydrophobicContact CG1-CB 3.7Å; V17-L22 HydrophobicContact CG1-CD1 3.68Å; V17-L22 HydrophobicContact CG1-CG 4.34Å; V17-L22 VanDerWaalsContact CG1-N 3.35Å; N18-L22 PolarHBondContact O-N 3.42Å; V19-L22 WeakPolarHBondContact O-CB 3.35Å; V19-L22 PolarHBondContact O-N 2.94Å; G20-L22 VanDerWaalsContact C-N 3.31Å; L22-K25 PolarHBondContact O-N 3.46Å; L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-L117 HydrophobicContact CD2-CD2 4.45Å; L22-L165 HydrophobicContact CD2-CB 4.45Å; L22-V166 HydrophobicContact CD1-CG2 4.15Å; L22-V166 HydrophobicContact CD2-CG2 3.83Å; L22-M169 HydrophobicContact CD1-CE 4.4Å; L22-M169 HydrophobicContact CD1-SD 3.2Å; L22-M169 WeakPolarHBondContact CD1-SD 3.06Å; L22-M169 HydrophobicContact CG-SD 3.73Å
23V67.8Low63Low11 Ų1169.6 Ų69.67%0.06736%0.362CS..Hα-helixtrans-66-44.5179.1-178.30000110.5T26 R27 L114 L117 E118V23-T26 PolarHBondContact O-N 2.85Å; V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 3.46Å; V23-L114 HydrophobicContact CG2-CD2 4.14Å; V23-L117 HydrophobicContact CG2-CD2 4.33Å; V23-E118 HydrophobicContact CG1-CG 4.4Å; V23-E118 WeakPolarHBondContact CG1-OE1 3.33Å; V23-E118 HydrophobicContact CG2-CG 4.31Å
24V74.7Confident64.7Low74 Ų7464.5 Ų64.545%0.44835%0.345SS..Hα-helixtrans-62.9-46.6178.1173.50000110.7G20 D21 T26 R27 Q28G20-V24 WeakPolarHBondContact O-CG2 3.5Å; G20-V24 PolarHBondContact O-N 2.91Å; D21-V24 PolarHBondContact O-N 2.99Å; V24-T26 PolarHBondContact O-N 3.4Å; V24-R27 PolarHBondContact O-N 3.37Å; V24-Q28 HydrophobicContact CG1-CG 4.25Å; V24-Q28 VanDerWaalsContact O-CB 3.32Å; V24-Q28 WeakPolarHBondContact O-CB 3.16Å; V24-Q28 VanDerWaalsContact O-CG 3.22Å; V24-Q28 WeakPolarHBondContact O-CG 3.43Å; V24-Q28 PolarHBondContact O-N 3.47Å
25K71.6Confident66.6Low33 Ų3361.8 Ų61.814%0.14333%0.326CS..Hα-helixtrans-62.9-40.7178.4-170.7177.9-166.3-175.20111.1D15 V17 D21 L22 Q28 K29 M169D15-K25 PolarHBondContact O-NZ 3.26Å; V17-K25 HydrophobicContact CG2-CD 3.7Å; V17-K25 VanDerWaalsContact CG2-NZ 3.28Å; D21-K25 WeakPolarHBondContact O-CA 3.32Å; D21-K25 WeakPolarHBondContact O-CB 3.33Å; D21-K25 PolarHBondContact O-N 3.32Å; L22-K25 PolarHBondContact O-N 3.46Å; K25-Q28 PolarHBondContact O-N 2.75Å; K25-K29 HydrophobicContact CG-CD 4.41Å; K25-K29 WeakPolarHBondContact O-CB 3.47Å; K25-K29 WeakPolarHBondContact O-CG 3.36Å; K25-K29 PolarHBondContact O-N 3.26Å; K25-M169 HydrophobicContact CB-CE 4.05Å; K25-M169 HydrophobicContact CD-CE 4.16Å; K25-M169 HydrophobicContact CG-CE 3.9Å
26T69.8Low68.1Low5 Ų556.7 Ų56.73%0.03130%0.299CS..Hα-helixtrans-65-46.7176.3-49.50000111.4L22 V23 V24 Q28 K29 H30 Y107 L110 L114 M169L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.19Å; L22-T26 PolarHBondContact O-OG1 3.45Å; V23-T26 PolarHBondContact O-N 2.85Å; V24-T26 PolarHBondContact O-N 3.4Å; T26-Q28 VanDerWaalsContact C-N 3.34Å; T26-Q28 PolarHBondContact O-N 2.87Å; T26-K29 PolarHBondContact O-N 2.9Å; T26-H30 PolarHBondContact O-N 3.33Å; T26-Y107 HydrophobicContact CG2-CD1 4.01Å; T26-Y107 HydrophobicContact CG2-CE1 4.3Å; T26-L110 HydrophobicContact CG2-CD1 4.45Å; T26-L114 HydrophobicContact CG2-CD1 3.7Å; T26-M169 WeakPolarHBondContact OG1-CE 3.37Å; T26-M169 PolarHBondContact OG1-SD 3.35Å
27R77.5Confident70.1Confident78 Ų7851.3 Ų51.329%0.29427%0.267SS..Hα-helixtrans-64.9-37.6176.8-72.7179.3174.5147.54.2111.9V23 V24 H30 R31 E111 E118V23-R27 WeakPolarHBondContact O-CG 3.33Å; V23-R27 PolarHBondContact O-N 3.46Å; V24-R27 PolarHBondContact O-N 3.37Å; R27-H30 PolarHBondContact O-N 2.9Å; R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.36Å; R27-R31 PolarHBondContact O-N 2.98Å; R27-E111 IonicContact CZ-OE1 3.02Å; R27-E111 IonicContact NE-OE1 3.86Å; R27-E111 PolarHBondContact NE-OE1 3.24Å; R27-E111 IonicContact NE-OE2 3.41Å; R27-E111 IonicContact NH2-OE1 3.3Å; R27-E111 PolarHBondContact NH2-OE1 3.18Å; R27-E111 VanDerWaalsContact NH2-OE1 3.07Å; R27-E118 IonicContact CZ-OE1 3.52Å; R27-E118 IonicContact CZ-OE2 3.89Å; R27-E118 IonicContact NH1-OE1 3.86Å; R27-E118 PolarHBondContact NH1-OE1 2.89Å; R27-E118 IonicContact NH1-OE2 2.76Å; R27-E118 IonicContact NH2-OE1 2.63Å; R27-E118 PolarHBondContact NH2-OE1 2.98Å; R27-E118 IonicContact NH2-OE2 2.62Å; R27-E118 PolarHBondContact NH2-OE2 3.29Å
28Q79.5Confident71.8Confident117 Ų11754.9 Ų54.955%0.54728%0.281SS..Hα-helixtrans-63.5-43.8173.6-78175.5-5.200111.7V24 K25 T26 R31 L32V24-Q28 HydrophobicContact CG1-CG 4.25Å; V24-Q28 VanDerWaalsContact O-CB 3.32Å; V24-Q28 WeakPolarHBondContact O-CB 3.16Å; V24-Q28 VanDerWaalsContact O-CG 3.22Å; V24-Q28 WeakPolarHBondContact O-CG 3.43Å; V24-Q28 PolarHBondContact O-N 3.47Å; K25-Q28 PolarHBondContact O-N 2.75Å; T26-Q28 VanDerWaalsContact C-N 3.34Å; T26-Q28 PolarHBondContact O-N 2.87Å; Q28-R31 WeakPolarHBondContact O-CB 3.31Å; Q28-R31 PolarHBondContact O-N 3.28Å; Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 PolarHBondContact O-N 3.42Å
29K73.6Confident72.8Confident28 Ų2855.5 Ų55.512%0.12228%0.282CS..Hα-helixtrans-65.1-41.1175.6-78175.1172.9164.70112.5K25 T26 R31 L32 M33 Y107 M169 E173K25-K29 HydrophobicContact CG-CD 4.41Å; K25-K29 WeakPolarHBondContact O-CB 3.47Å; K25-K29 WeakPolarHBondContact O-CG 3.36Å; K25-K29 PolarHBondContact O-N 3.26Å; T26-K29 PolarHBondContact O-N 2.9Å; K29-R31 VanDerWaalsContact C-N 3.34Å; K29-R31 PolarHBondContact O-N 2.74Å; K29-L32 WeakPolarHBondContact O-CB 3.45Å; K29-L32 PolarHBondContact O-N 3.39Å; K29-M33 PolarHBondContact O-N 2.86Å; K29-Y107 HydrophobicContact CB-CE1 4.01Å; K29-M169 HydrophobicContact CD-CE 4.16Å; K29-E173 WeakPolarHBondContact CE-OE1 3.38Å; K29-E173 IonicContact NZ-OE1 3.88Å; K29-E173 PolarHBondContact NZ-OE1 3.39Å; K29-E173 IonicContact NZ-OE2 3.42Å; K29-E173 PolarHBondContact NZ-OE2 3.33Å
30H78.1Confident74Confident63 Ų6354.7 Ų54.729%0.29228%0.276SS..Hα-helixtrans-60.3-44.7173.6-175.561.8000111.6T26 R27 L32 M33 A34 Y107T26-H30 PolarHBondContact O-N 3.33Å; R27-H30 PolarHBondContact O-N 2.9Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.45Å; H30-M33 PolarHBondContact O-N 2.96Å; H30-A34 PolarHBondContact O-N 2.98Å; H30-A34 VanDerWaalsContact O-N 3.09Å; H30-Y107 HydrophobicContact CB-CG 4.37Å; H30-Y107 VanDerWaalsContact ND1-CB 3.31Å; H30-Y107 WeakPolarHBondContact ND1-CB 3.25Å
31R81.2Confident75Confident182 Ų18255.1 Ų55.169%0.68727%0.267SS*.Hα-helixtrans-61.6-41.2173.7-73.6175.5-176.3-178.91.8112.1R27 Q28 K29 M33 A34 V35R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.36Å; R27-R31 PolarHBondContact O-N 2.98Å; Q28-R31 WeakPolarHBondContact O-CB 3.31Å; Q28-R31 PolarHBondContact O-N 3.28Å; K29-R31 VanDerWaalsContact C-N 3.34Å; K29-R31 PolarHBondContact O-N 2.74Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 2.95Å; R31-A34 WeakPolarHBondContact O-CB 3.37Å; R31-A34 PolarHBondContact O-N 3.2Å; R31-V35 WeakPolarHBondContact O-CG2 3.27Å; R31-V35 PolarHBondContact O-N 3.45Å
32L75Confident75.7Confident24 Ų2455.2 Ų55.213%0.12627%0.267CS..Hα-helixtrans-60-43176.2178.664.6000111.4R10 Q28 K29 H30 A34 V35 I36R10-L32 HydrophobicContact CB-CD1 4.02Å; R10-L32 HydrophobicContact CB-CD2 3.54Å; R10-L32 HydrophobicContact CB-CG 4.42Å; R10-L32 HydrophobicContact CG-CD1 4.34Å; Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 PolarHBondContact O-N 3.42Å; K29-L32 WeakPolarHBondContact O-CB 3.45Å; K29-L32 PolarHBondContact O-N 3.39Å; H30-L32 VanDerWaalsContact C-N 3.34Å; H30-L32 PolarHBondContact O-N 3.45Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.25Å; L32-V35 WeakPolarHBondContact O-CB 3.47Å; L32-V35 PolarHBondContact O-N 3.31Å; L32-V35 VanDerWaalsContact O-N 3.15Å; L32-I36 HydrophobicContact CG-CD1 4.08Å; L32-I36 WeakPolarHBondContact O-CG1 3.37Å; L32-I36 PolarHBondContact O-N 2.87Å
33M74.4Confident76.1Confident8 Ų857.1 Ų57.14%0.03928%0.277CS..Hα-helixtrans-64.8-36178.4-140.659.5-179.600112.1K29 H30 R31 I36 F37 I100 Q103 M104K29-M33 PolarHBondContact O-N 2.86Å; H30-M33 PolarHBondContact O-N 2.96Å; R31-M33 VanDerWaalsContact C-N 3.3Å; R31-M33 PolarHBondContact O-N 2.95Å; M33-I36 PolarHBondContact O-N 3.46Å; M33-I36 HydrophobicContact SD-CD1 3.8Å; M33-F37 WeakPolarHBondContact O-CB 3.4Å; M33-F37 PolarHBondContact O-N 3.25Å; M33-I100 HydrophobicContact CE-CD1 3.38Å; M33-I100 HydrophobicContact CE-CG2 4.25Å; M33-I100 HydrophobicContact CG-CG2 4.17Å; M33-Q103 HydrophobicContact CE-CB 4.11Å; M33-Q103 HydrophobicContact CE-CG 3.87Å; M33-Q103 HydrophobicContact CG-CG 4.41Å; M33-M104 HydrophobicContact CB-CG 4.05Å; M33-M104 HydrophobicContact CG-CG 3.97Å
34A77.7Confident76.4Confident38 Ų3857.5 Ų57.531%0.31428%0.28SS..Hα-helixtrans-64.1-39.8171.700000112.6H30 R31 L32 F37 E38 M104H30-A34 PolarHBondContact O-N 2.98Å; H30-A34 VanDerWaalsContact O-N 3.09Å; R31-A34 WeakPolarHBondContact O-CB 3.37Å; R31-A34 PolarHBondContact O-N 3.2Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.25Å; A34-F37 WeakPolarHBondContact O-CB 3.31Å; A34-F37 PolarHBondContact O-N 3.35Å; A34-E38 PolarHBondContact O-N 3.5Å; A34-M104 HydrophobicContact CB-CE 3.96Å
35V80.8Confident76.5Confident59 Ų5957.4 Ų57.436%0.35828%0.279SS..Hα-helixtrans-65-40.4174.7173.50000111.4R31 L32 F37 E38 E39R31-V35 WeakPolarHBondContact O-CG2 3.27Å; R31-V35 PolarHBondContact O-N 3.45Å; L32-V35 WeakPolarHBondContact O-CB 3.47Å; L32-V35 PolarHBondContact O-N 3.31Å; L32-V35 VanDerWaalsContact O-N 3.15Å; V35-F37 VanDerWaalsContact C-N 3.32Å; V35-F37 PolarHBondContact O-N 3.49Å; V35-E38 PolarHBondContact O-N 3.4Å; V35-E39 PolarHBondContact O-N 2.82Å
36I75.9Confident76.7Confident8 Ų861 Ų614%0.04130%0.3CS..Hα-helixtrans-62.6-42.7175.4-68.5161.1000110.5L7 L32 M33 E38 E39 I40 I100L7-I36 HydrophobicContact CD2-CD1 3.49Å; L7-I36 VanDerWaalsContact CD2-CD1 3.49Å; L7-I36 HydrophobicContact CD2-CG1 3.86Å; L7-I36 HydrophobicContact CD2-CG2 4.1Å; L32-I36 HydrophobicContact CG-CD1 4.08Å; L32-I36 WeakPolarHBondContact O-CG1 3.37Å; L32-I36 PolarHBondContact O-N 2.87Å; M33-I36 PolarHBondContact O-N 3.46Å; M33-I36 HydrophobicContact SD-CD1 3.8Å; I36-E38 VanDerWaalsContact C-N 3.35Å; I36-E38 PolarHBondContact O-N 3.17Å; I36-E39 PolarHBondContact O-N 3.15Å; I36-I40 HydrophobicContact CG2-CD1 3.97Å; I36-I40 WeakPolarHBondContact O-CG1 3.38Å; I36-I40 PolarHBondContact O-N 3.1Å; I36-I100 HydrophobicContact CG2-CD1 4.21Å
37F77.2Confident76.9Confident56 Ų5661.7 Ų61.725%0.24630%0.303CS..Hα-helixtrans-61.7-41.4176.3-178.9-105.3000112.4M33 A34 V35 I40 N41 P97 I100 I101 M104M33-F37 WeakPolarHBondContact O-CB 3.4Å; M33-F37 PolarHBondContact O-N 3.25Å; A34-F37 WeakPolarHBondContact O-CB 3.31Å; A34-F37 PolarHBondContact O-N 3.35Å; V35-F37 VanDerWaalsContact C-N 3.32Å; V35-F37 PolarHBondContact O-N 3.49Å; F37-I40 PolarHBondContact O-N 3Å; F37-N41 WeakPolarHBondContact CD1-ND2 3.32Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.47Å; F37-N41 PolarHBondContact O-N 2.85Å; F37-N41 PolarHBondContact O-ND2 2.88Å; F37-P97 HydrophobicContact CE2-CB 3.98Å; F37-I100 HydrophobicContact CB-CG2 4.01Å; F37-I100 HydrophobicContact CD2-CG2 4.32Å; F37-I101 HydrophobicContact CD2-CG1 4.18Å; F37-I101 HydrophobicContact CE2-CD1 3.88Å; F37-I101 HydrophobicContact CE2-CG1 3.59Å; F37-I101 HydrophobicContact CZ-CD1 4.43Å; F37-I101 HydrophobicContact CZ-CG1 4.33Å; F37-M104 HydrophobicContact CB-SD 3.93Å; F37-M104 HydrophobicContact CG-SD 4.16Å
38E79.9Confident76.7Confident117 Ų11765.6 Ų65.655%0.54732%0.318SS..Hα-helixtrans-63.1-43.7175.3-171.1178-179.500112.2A34 V35 I36 I40 N41 N42A34-E38 PolarHBondContact O-N 3.5Å; V35-E38 PolarHBondContact O-N 3.4Å; I36-E38 VanDerWaalsContact C-N 3.35Å; I36-E38 PolarHBondContact O-N 3.17Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 3.3Å; E38-N41 PolarHBondContact O-N 3.13Å; E38-N42 VanDerWaalsContact O-CG 3.3Å; E38-N42 PolarHBondContact O-N 3.42Å; E38-N42 PolarHBondContact O-ND2 2.88Å
39E76.3Confident76.5Confident93 Ų9366.3 Ų66.344%0.43532%0.319SS..Hα-helixtrans-61.7-38.4174.2-77.4-78.1-176.200112.4V35 I36 N42 L43V35-E39 PolarHBondContact O-N 2.82Å; I36-E39 PolarHBondContact O-N 3.15Å; E39-N42 PolarHBondContact O-N 3.41Å; E39-L43 WeakPolarHBondContact O-CB 3.48Å; E39-L43 PolarHBondContact O-N 3.48Å
40I76.5Confident76.5Confident13 Ų1367.7 Ų67.77%0.06733%0.332CS..Hα-helixtrans-63.5-44.3174-74.9167.8000110.9I36 F37 E38 N42 L43 V44 L96 P97 I100I36-I40 HydrophobicContact CG2-CD1 3.97Å; I36-I40 WeakPolarHBondContact O-CG1 3.38Å; I36-I40 PolarHBondContact O-N 3.1Å; F37-I40 PolarHBondContact O-N 3Å; E38-I40 VanDerWaalsContact C-N 3.32Å; E38-I40 PolarHBondContact O-N 3.3Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.9Å; I40-L43 WeakPolarHBondContact O-CB 3.45Å; I40-L43 PolarHBondContact O-N 2.96Å; I40-V44 WeakPolarHBondContact O-CG2 3.33Å; I40-V44 PolarHBondContact O-N 2.67Å; I40-L96 HydrophobicContact CG2-CB 4.49Å; I40-L96 HydrophobicContact CG2-CD2 3.76Å; I40-L96 HydrophobicContact CG2-CG 3.82Å; I40-P97 HydrophobicContact CG2-CG 4.36Å; I40-I100 HydrophobicContact CD1-CB 4.45Å; I40-I100 HydrophobicContact CD1-CD1 4.46Å; I40-I100 HydrophobicContact CD1-CG1 3.6Å
41N76.6Confident76Confident58 Ų5865.7 Ų65.731%0.3132%0.324SS..Hα-helixtrans-64.3-39.9176.7-70.6-31.7000111.8F37 E38 L43 V44 V45F37-N41 WeakPolarHBondContact CD1-ND2 3.32Å; F37-N41 WeakPolarHBondContact CE1-ND2 3.23Å; F37-N41 WeakPolarHBondContact CZ-ND2 3.47Å; F37-N41 PolarHBondContact O-N 2.85Å; F37-N41 PolarHBondContact O-ND2 2.88Å; E38-N41 PolarHBondContact O-N 3.13Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.48Å; N41-V44 WeakPolarHBondContact O-CB 3.39Å; N41-V44 PolarHBondContact O-N 2.9Å; N41-V45 WeakPolarHBondContact O-CG2 3.45Å; N41-V45 PolarHBondContact O-N 3.49Å
42N80Confident75.5Confident86 Ų8661 Ų6146%0.4631%0.313SS..Hα-helixtrans-62.7-40.5174.8-72.5-25.4000111.6E38 E39 I40 V45 L46E38-N42 VanDerWaalsContact O-CG 3.3Å; E38-N42 PolarHBondContact O-N 3.42Å; E38-N42 PolarHBondContact O-ND2 2.88Å; E39-N42 PolarHBondContact O-N 3.41Å; I40-N42 VanDerWaalsContact C-N 3.34Å; I40-N42 PolarHBondContact O-N 2.9Å; N42-V45 PolarHBondContact O-N 2.84Å; N42-L46 WeakPolarHBondContact O-CB 3.44Å; N42-L46 PolarHBondContact O-N 3.09Å
43L74.7Confident75.3Confident48 Ų4863.2 Ų63.225%0.25133%0.331SS..Hα-helixtrans-63.8-42.8175.4-176.264.6000111.8E39 I40 N41 L46 N47 L96 L187E39-L43 WeakPolarHBondContact O-CB 3.48Å; E39-L43 PolarHBondContact O-N 3.48Å; I40-L43 WeakPolarHBondContact O-CB 3.45Å; I40-L43 PolarHBondContact O-N 2.96Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.48Å; L43-L46 PolarHBondContact O-N 3.39Å; L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 3.04Å; L43-N47 PolarHBondContact O-ND2 3.28Å; L43-L96 HydrophobicContact CD2-CD2 4.39Å; L43-L187 HydrophobicContact CD2-CD1 3.87Å; L43-L187 HydrophobicContact CD2-CD2 4.28Å
44V74.4Confident75.1Confident20 Ų2065.5 Ų65.512%0.12134%0.342CS..Hα-helixtrans-57.7-48.4173.8154.20000111.3I40 N41 L46 N47 R48 N93I40-V44 WeakPolarHBondContact O-CG2 3.33Å; I40-V44 PolarHBondContact O-N 2.67Å; N41-V44 WeakPolarHBondContact O-CB 3.39Å; N41-V44 PolarHBondContact O-N 2.9Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.22Å; V44-N47 PolarHBondContact O-N 3.15Å; V44-R48 PolarHBondContact O-N 3.48Å; V44-N93 WeakPolarHBondContact CG1-OD1 3.35Å
45V76.3Confident74.5Confident72 Ų7264.8 Ų64.844%0.43634%0.335SS..Hα-helixtrans-63.2-40.4178.1171.10000111.1N41 N42 R48 K49N41-V45 WeakPolarHBondContact O-CG2 3.45Å; N41-V45 PolarHBondContact O-N 3.49Å; N42-V45 PolarHBondContact O-N 2.84Å; V45-R48 PolarHBondContact O-N 3.16Å; V45-K49 HydrophobicContact CG1-CD 4.42Å; V45-K49 WeakPolarHBondContact O-CG 3.48Å; V45-K49 PolarHBondContact O-N 3.31Å
46L76.1Confident74Confident109 Ų10967 Ų6757%0.57134%0.342SS*.Hα-helixtrans-64.2-42.2177.2-171.968.8000111.7N42 L43 V44 R48 K49 S50N42-L46 WeakPolarHBondContact O-CB 3.44Å; N42-L46 PolarHBondContact O-N 3.09Å; L43-L46 PolarHBondContact O-N 3.39Å; V44-L46 VanDerWaalsContact C-N 3.32Å; V44-L46 PolarHBondContact O-N 3.22Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.94Å; L46-K49 PolarHBondContact O-N 2.69Å; L46-S50 WeakPolarHBondContact O-CB 3.48Å; L46-S50 PolarHBondContact O-N 3.12Å
47N73.5Confident73.8Confident19 Ų1971.5 Ų71.510%0.10237%0.369CS..Hα-helixtrans-63.8-38.3176-81.1-32.8000112.6L43 V44 S50 T51 L92 Y191L43-N47 WeakPolarHBondContact O-CB 3.46Å; L43-N47 PolarHBondContact O-N 3.04Å; L43-N47 PolarHBondContact O-ND2 3.28Å; V44-N47 PolarHBondContact O-N 3.15Å; N47-S50 PolarHBondContact O-N 3.42Å; N47-T51 WeakPolarHBondContact O-CB 3.27Å; N47-T51 PolarHBondContact O-N 3.04Å; N47-T51 PolarHBondContact O-OG1 3.3Å; N47-L92 VanDerWaalsContact ND2-CD1 3.32Å; N47-L92 WeakPolarHBondContact ND2-CD1 3.49Å; N47-Y191 PolarHBondContact ND2-OH 3.37Å; N47-Y191 PolarHBondContact OD1-OH 3.37Å
48R73.2Confident73.4Confident160 Ų16069.6 Ų69.660%0.60436%0.362SS*.Hα-helixtrans-61.8-49.5173.1-174.5177.6176.8177.81.3111.3V44 V45 L46 S50 T51 D52 T89V44-R48 PolarHBondContact O-N 3.48Å; V45-R48 PolarHBondContact O-N 3.16Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 2.94Å; R48-S50 VanDerWaalsContact C-N 3.32Å; R48-S50 PolarHBondContact O-N 2.91Å; R48-T51 WeakPolarHBondContact O-CB 3.41Å; R48-T51 PolarHBondContact O-N 3.35Å; R48-T51 VanDerWaalsContact O-N 3.11Å; R48-D52 VanDerWaalsContact O-CG 3.25Å; R48-D52 PolarHBondContact O-N 3.44Å; R48-T89 HydrophobicContact CB-CG2 4.47Å
49K76.1Confident72.8Confident131 Ų13168.6 Ų68.657%0.5736%0.355SS*.Hα-helixtrans-59.8-40.6177.2-71.5178.2179.2-176.50112.9V45 L46 T51 D52 S53V45-K49 HydrophobicContact CG1-CD 4.42Å; V45-K49 WeakPolarHBondContact O-CG 3.48Å; V45-K49 PolarHBondContact O-N 3.31Å; L46-K49 PolarHBondContact O-N 2.69Å; K49-T51 VanDerWaalsContact C-N 3.34Å; K49-D52 PolarHBondContact O-N 3.49Å; K49-S53 WeakPolarHBondContact O-CB 3.01Å; K49-S53 PolarHBondContact O-N 2.91Å; K49-S53 PolarHBondContact O-OG 3.39Å
50S72.1Confident72.4Confident57 Ų5767.9 Ų67.940%0.39936%0.36SS..Hα-helixtrans-61.7-44.4174.7176.30000111.3L46 N47 R48 S53 I54L46-S50 WeakPolarHBondContact O-CB 3.48Å; L46-S50 PolarHBondContact O-N 3.12Å; N47-S50 PolarHBondContact O-N 3.42Å; R48-S50 VanDerWaalsContact C-N 3.32Å; R48-S50 PolarHBondContact O-N 2.91Å; S50-S53 PolarHBondContact O-N 3.36Å; S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.5Å; S50-I54 PolarHBondContact O-N 2.87Å
51T68.7Low72Confident21 Ų2170.4 Ų70.413%0.12937%0.374CS..Hα-helixtrans-63-45.9178.3-65.80000111.2N47 R48 K49 S53 I54 S55 H85 T89N47-T51 WeakPolarHBondContact O-CB 3.27Å; N47-T51 PolarHBondContact O-N 3.04Å; N47-T51 PolarHBondContact O-OG1 3.3Å; R48-T51 WeakPolarHBondContact O-CB 3.41Å; R48-T51 PolarHBondContact O-N 3.35Å; R48-T51 VanDerWaalsContact O-N 3.11Å; K49-T51 VanDerWaalsContact C-N 3.34Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 3.24Å; T51-I54 PolarHBondContact O-N 3.47Å; T51-S55 WeakPolarHBondContact O-CB 3.34Å; T51-S55 PolarHBondContact O-N 2.9Å; T51-H85 HydrophobicContact CG2-CB 3.69Å; T51-T89 PolarHBondContact OG1-OG1 2.93Å
52D69.4Low71.5Confident83 Ų8369.4 Ų69.444%0.44437%0.368SS..Hα-helixtrans-59.6-43.6176.7-63.3-24.8000110.8R48 K49 I54 S55 E56R48-D52 VanDerWaalsContact O-CG 3.25Å; R48-D52 PolarHBondContact O-N 3.44Å; K49-D52 PolarHBondContact O-N 3.49Å; D52-I54 PolarHBondContact O-N 2.98Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 2.89Å; D52-E56 WeakPolarHBondContact O-CG 3.49Å; D52-E56 PolarHBondContact O-N 3.05Å
53S72Confident70.8Confident72 Ų7272 Ų7250%0.50338%0.377SS..Hα-helixtrans-63.7-41.7178.3-55.80000112.4K49 S50 T51 E56 V57K49-S53 WeakPolarHBondContact O-CB 3.01Å; K49-S53 PolarHBondContact O-N 2.91Å; K49-S53 PolarHBondContact O-OG 3.39Å; S50-S53 PolarHBondContact O-N 3.36Å; T51-S53 VanDerWaalsContact C-N 3.31Å; T51-S53 PolarHBondContact O-N 3.24Å; S53-E56 PolarHBondContact O-N 3.48Å; S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 2.89Å; S53-V57 VanDerWaalsContact O-N 3.08Å
54I69.8Low70.3Confident55 Ų5576.8 Ų76.828%0.28239%0.393SS..Hα-helixtrans-66.2-42.1177-69.5164.7000110.3S50 T51 D52 E56 V57 L58 H85S50-I54 VanDerWaalsContact O-CG1 3.31Å; S50-I54 WeakPolarHBondContact O-CG1 3.5Å; S50-I54 PolarHBondContact O-N 2.87Å; T51-I54 PolarHBondContact O-N 3.47Å; D52-I54 PolarHBondContact O-N 2.98Å; I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 3.34Å; I54-V57 PolarHBondContact O-N 3.42Å; I54-L58 HydrophobicContact CG2-CD1 3.82Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 VanDerWaalsContact O-CG 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.25Å; I54-L58 PolarHBondContact O-N 2.95Å; I54-H85 WeakPolarHBondContact CD1-CE1 3.42Å
55S65.2Low69.7Low24 Ų2476.9 Ų76.917%0.16839%0.393CS..Hα-helixtrans-54.9-44.9172.4146.70000111.6T51 D52 V57 L58 K59T51-S55 WeakPolarHBondContact O-CB 3.34Å; T51-S55 PolarHBondContact O-N 2.9Å; D52-S55 WeakPolarHBondContact O-CB 3.37Å; D52-S55 PolarHBondContact O-N 2.89Å; S55-V57 PolarHBondContact O-N 3.48Å; S55-L58 PolarHBondContact O-N 3.36Å; S55-K59 VanDerWaalsContact O-CG 3.31Å; S55-K59 WeakPolarHBondContact O-CG 3.45Å; S55-K59 PolarHBondContact O-N 3.37Å; S55-K59 WeakPolarHBondContact OG-CE 3.29Å; S55-K59 PolarHBondContact OG-NZ 2.85Å
56E70.8Confident68.9Low106 Ų10677.2 Ų77.250%0.49539%0.392SS..Hα-helixtrans-65.2-39.2177.6-68.9-53.812300113.4D52 S53 I54 L58 K59 S60D52-E56 WeakPolarHBondContact O-CG 3.49Å; D52-E56 PolarHBondContact O-N 3.05Å; S53-E56 PolarHBondContact O-N 3.48Å; I54-E56 VanDerWaalsContact C-N 3.3Å; I54-E56 PolarHBondContact O-N 3.34Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 2.95Å; E56-K59 PolarHBondContact O-N 3.07Å; E56-K59 IonicContact OE1-NZ 2.76Å; E56-K59 PolarHBondContact OE1-NZ 3.18Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 2.99Å
57V72Confident68Low102 Ų10275.7 Ų75.762%0.61839%0.391SS*.Hα-helixtrans-63.2-41.5174.1173.30000110.8S53 I54 S55 S60 L61S53-V57 WeakPolarHBondContact O-CG2 3.48Å; S53-V57 PolarHBondContact O-N 2.89Å; S53-V57 VanDerWaalsContact O-N 3.08Å; I54-V57 PolarHBondContact O-N 3.42Å; S55-V57 PolarHBondContact O-N 3.48Å; V57-S60 WeakPolarHBondContact O-CB 3.16Å; V57-S60 PolarHBondContact O-N 3.25Å; V57-L61 PolarHBondContact O-N 2.87Å
58L67.7Low66.9Low16 Ų1680 Ų808%0.08441%0.414CS..Hα-helixtrans-67.6-40.3178.5-68.4167.9000112.6I54 S55 E56 S60 L61 L62 I78 L81I54-L58 HydrophobicContact CG2-CD1 3.82Å; I54-L58 HydrophobicContact CG2-CG 4.28Å; I54-L58 VanDerWaalsContact O-CG 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.25Å; I54-L58 PolarHBondContact O-N 2.95Å; S55-L58 PolarHBondContact O-N 3.36Å; E56-L58 VanDerWaalsContact C-N 3.33Å; E56-L58 PolarHBondContact O-N 2.95Å; L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 PolarHBondContact O-N 3.42Å; L58-L61 PolarHBondContact O-N 3.06Å; L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.22Å; L58-I78 HydrophobicContact CB-CG2 4.25Å; L58-L81 HydrophobicContact CD1-CB 4.24Å; L58-L81 HydrophobicContact CD1-CD2 3.34Å; L58-L81 HydrophobicContact CD1-CG 3.69Å; L58-L81 HydrophobicContact CD2-CD2 3.44Å; L58-L81 VanDerWaalsContact CD2-CD2 3.44Å; L58-L81 HydrophobicContact CG-CD2 3.97Å
59K67.7Low65.9Low96 Ų9674.6 Ų74.642%0.41740%0.399SS..Hα-helixtrans-60.4-39.7171.9-71.7172.5-167.3169.20111.7S55 E56 L62 H63S55-K59 VanDerWaalsContact O-CG 3.31Å; S55-K59 WeakPolarHBondContact O-CG 3.45Å; S55-K59 PolarHBondContact O-N 3.37Å; S55-K59 WeakPolarHBondContact OG-CE 3.29Å; S55-K59 PolarHBondContact OG-NZ 2.85Å; E56-K59 PolarHBondContact O-N 3.07Å; E56-K59 IonicContact OE1-NZ 2.76Å; E56-K59 PolarHBondContact OE1-NZ 3.18Å; K59-L62 WeakPolarHBondContact O-CB 3.39Å; K59-L62 PolarHBondContact O-N 2.94Å; K59-H63 PolarHBondContact O-N 2.96Å
60S68.6Low64.6Low77 Ų7775.5 Ų75.554%0.53842%0.415SS..Hα-helixtrans-65.7-42.7176.9-580000111.6E56 V57 L58 H63 Y64E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 2.99Å; V57-S60 WeakPolarHBondContact O-CB 3.16Å; V57-S60 PolarHBondContact O-N 3.25Å; L58-S60 VanDerWaalsContact C-N 3.28Å; L58-S60 PolarHBondContact O-N 3.42Å; S60-H63 PolarHBondContact O-N 3.3Å; S60-Y64 PolarHBondContact O-N 3.45Å; S60-Y64 VanDerWaalsContact O-N 3.08Å
61L66.8Low63.6Low67 Ų6774.4 Ų74.435%0.35141%0.407SS..Hα-helixtrans-63.1-41.9174.3-174.467.8000111.5V57 L58 H63 Y64 L65V57-L61 PolarHBondContact O-N 2.87Å; L58-L61 PolarHBondContact O-N 3.06Å; L61-H63 VanDerWaalsContact C-N 3.34Å; L61-H63 PolarHBondContact O-N 3.24Å; L61-Y64 PolarHBondContact O-N 3.37Å; L61-L65 HydrophobicContact CD1-CD1 4.38Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 WeakPolarHBondContact O-CD1 3.42Å; L61-L65 WeakPolarHBondContact O-CG 3.21Å; L61-L65 PolarHBondContact O-N 2.93Å
62L66Low62.9Low37 Ų3777.8 Ų77.819%0.19443%0.432CS..Hα-helixtrans-60.5-43.8175.5-176.567000111.5L58 K59 Y64 L65 N66 F75 I78L58-L62 WeakPolarHBondContact O-CB 3.43Å; L58-L62 PolarHBondContact O-N 3.22Å; K59-L62 WeakPolarHBondContact O-CB 3.39Å; K59-L62 PolarHBondContact O-N 2.94Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.47Å; L62-L65 PolarHBondContact O-N 3.3Å; L62-N66 WeakPolarHBondContact O-CB 3.34Å; L62-N66 PolarHBondContact O-N 3.34Å; L62-N66 PolarHBondContact O-ND2 2.96Å; L62-F75 HydrophobicContact CD1-CD1 3.66Å; L62-F75 HydrophobicContact CD1-CE1 3.46Å; L62-F75 VanDerWaalsContact CD1-CE1 3.46Å; L62-F75 HydrophobicContact CD1-CE2 4.36Å; L62-F75 HydrophobicContact CD1-CG 4.23Å; L62-F75 HydrophobicContact CD1-CZ 3.85Å; L62-F75 HydrophobicContact CD2-CD1 4.27Å; L62-F75 HydrophobicContact CD2-CE1 3.92Å; L62-F75 HydrophobicContact CG-CE1 4.12Å; L62-I78 HydrophobicContact CB-CD1 3.71Å; L62-I78 HydrophobicContact CD1-CD1 3.7Å; L62-I78 HydrophobicContact CG-CD1 4.16Å
63H65.9Low62.4Low140 Ų14079.1 Ų79.165%0.64844%0.437SS*.Hα-helixtrans-59.4-46.1176.7-172-10.2000110.8K59 S60 L61 L65 N66 S67K59-H63 PolarHBondContact O-N 2.96Å; S60-H63 PolarHBondContact O-N 3.3Å; L61-H63 VanDerWaalsContact C-N 3.34Å; L61-H63 PolarHBondContact O-N 3.24Å; H63-L65 PolarHBondContact O-N 3.46Å; H63-N66 PolarHBondContact O-N 3.14Å; H63-S67 PolarHBondContact O-N 3.37Å; H63-S67 PolarHBondContact O-OG 2.91Å
64Y63.2Low61.9Low148 Ų14876.2 Ų76.258%0.5842%0.415SS*.Hα-helixtrans-61.1-42.1179.4-178.6-98.1000112.8S60 L61 L62 S67S60-Y64 PolarHBondContact O-N 3.45Å; S60-Y64 VanDerWaalsContact O-N 3.08Å; L61-Y64 PolarHBondContact O-N 3.37Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.47Å; Y64-S67 VanDerWaalsContact C-OG 3.31Å; Y64-S67 WeakPolarHBondContact CA-OG 3.4Å; Y64-S67 PolarHBondContact O-N 2.94Å; Y64-S67 PolarHBondContact O-OG 2.89Å
65L62.5Low61.6Low23 Ų2378.1 Ų78.112%0.1242%0.422CS..Hα-helixtrans-72.7-38.8-178.9-69.7163.4000112.7L61 L62 H63 S67 N68 T69 I74L61-L65 HydrophobicContact CD1-CD1 4.38Å; L61-L65 HydrophobicContact CG-CD1 3.92Å; L61-L65 WeakPolarHBondContact O-CD1 3.42Å; L61-L65 WeakPolarHBondContact O-CG 3.21Å; L61-L65 PolarHBondContact O-N 2.93Å; L62-L65 PolarHBondContact O-N 3.3Å; H63-L65 PolarHBondContact O-N 3.46Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 3.31Å; L65-N68 PolarHBondContact O-N 3.35Å; L65-T69 PolarHBondContact O-N 3.12Å; L65-T69 PolarHBondContact O-OG1 2.96Å; L65-I74 HydrophobicContact CB-CD1 4.49Å; L65-I74 HydrophobicContact CD1-CB 4.47Å; L65-I74 HydrophobicContact CD1-CD1 3.51Å; L65-I74 HydrophobicContact CD1-CG2 3.84Å; L65-I74 HydrophobicContact CD2-CD1 3.92Å; L65-I74 HydrophobicContact CG-CD1 4.18Å
66N59.7Low61.8Low79 Ų7980.4 Ų80.442%0.42244%0.436SS..Hα-helixtrans-63.8-31.2175.4-80.3-20.1000112.6L62 H63 N68 F75L62-N66 WeakPolarHBondContact O-CB 3.34Å; L62-N66 PolarHBondContact O-N 3.34Å; L62-N66 PolarHBondContact O-ND2 2.96Å; H63-N66 PolarHBondContact O-N 3.14Å; N66-N68 VanDerWaalsContact C-N 3.3Å; N66-N68 PolarHBondContact O-N 3.31Å; N66-F75 WeakPolarHBondContact ND2-CZ 3.33Å; N66-F75 WeakPolarHBondContact OD1-CE2 3.48Å; N66-F75 WeakPolarHBondContact OD1-CZ 3.48Å
67S57.3Low61.7Low77 Ų7776.2 Ų76.254%0.53842%0.417SS..Hα-helixtrans-70.3-24.2175.928.30000113.9H63 Y64 L65H63-S67 PolarHBondContact O-N 3.37Å; H63-S67 PolarHBondContact O-OG 2.91Å; Y64-S67 VanDerWaalsContact C-OG 3.31Å; Y64-S67 WeakPolarHBondContact CA-OG 3.4Å; Y64-S67 PolarHBondContact O-N 2.94Å; Y64-S67 PolarHBondContact O-OG 2.89Å; L65-S67 VanDerWaalsContact C-N 3.27Å; L65-S67 PolarHBondContact O-N 3.31Å
68N51.5Low61.5Low109 Ų10972 Ų7258%0.58339%0.391SS*.Hα-helixtrans-116.4-13.6-169.5-78.3-18.4000114.9L65 N66L65-N68 PolarHBondContact O-N 3.35Å; N66-N68 VanDerWaalsContact C-N 3.3Å; N66-N68 PolarHBondContact O-N 3.31Å
69T51.1Low61.7Low47 Ų4777 Ų7729%0.28841%0.413SS..  trans-155.5144-172.443.80000112.9L65 C71 L212L65-T69 PolarHBondContact O-N 3.12Å; L65-T69 PolarHBondContact O-OG1 2.96Å; T69-C71 PolarHBondContact O-N 3.47Å; T69-L212 HydrophobicContact CG2-CD1 4.34Å
70T49.2Very low62.2Low150 Ų15075.7 Ų75.792%0.9241%0.411SS*.  trans-71.644.8165.349.40000111.5S72T70-S72 VanDerWaalsContact C-N 3.3Å; T70-S72 PolarHBondContact O-N 2.89Å
71C51.2Low62.5Low34 Ų3472.7 Ų72.723%0.2339%0.389CS..  trans-84.373.2-171.7-132.90000110.3T69 M73 I74T69-C71 PolarHBondContact O-N 3.47Å; C71-M73 PolarHBondContact O-N 2.91Å; C71-M73 VanDerWaalsContact O-N 3.07Å; C71-I74 HydrophobicContact CB-CD1 3.99Å; C71-I74 HydrophobicContact CB-CG1 4.39Å; C71-I74 PolarHBondContact O-N 3.29Å
72S53.5Low62.8Low91 Ų9172.9 Ų72.964%0.63639%0.388SS*.THydrogen-bonded Turntrans-61-14.8176.668.50000113.4T70T70-S72 VanDerWaalsContact C-N 3.3Å; T70-S72 PolarHBondContact O-N 2.89Å
73M58.2Low63.6Low112 Ų11273.2 Ų73.255%0.55239%0.393SS*.THydrogen-bonded Turntrans-80.9-12.2-175.3-62.6-144-106.200114.6C71C71-M73 PolarHBondContact O-N 2.91Å; C71-M73 VanDerWaalsContact O-N 3.07Å
74I62.1Low64.2Low10 Ų1066.7 Ų66.75%0.05136%0.364CS..SBendtrans-89.6-25.4-176.9-58.6174.1000112L65 C71 L77 I78L65-I74 HydrophobicContact CB-CD1 4.49Å; L65-I74 HydrophobicContact CD1-CB 4.47Å; L65-I74 HydrophobicContact CD1-CD1 3.51Å; L65-I74 HydrophobicContact CD1-CG2 3.84Å; L65-I74 HydrophobicContact CD2-CD1 3.92Å; L65-I74 HydrophobicContact CG-CD1 4.18Å; C71-I74 HydrophobicContact CB-CD1 3.99Å; C71-I74 HydrophobicContact CB-CG1 4.39Å; C71-I74 PolarHBondContact O-N 3.29Å; I74-L77 WeakPolarHBondContact O-CB 3.45Å; I74-L77 PolarHBondContact O-N 3.16Å; I74-I78 HydrophobicContact CG2-CD1 4.02Å; I74-I78 HydrophobicContact CG2-CG1 4.25Å; I74-I78 PolarHBondContact O-N 3.34Å
75F63.2Low64.9Low95 Ų9560.1 Ų60.142%0.41734%0.338SS..Hα-helixtrans-58.2-44.6179.4-72.9-86.2000114.3L62 N66 L77 I78 H79L62-F75 HydrophobicContact CD1-CD1 3.66Å; L62-F75 HydrophobicContact CD1-CE1 3.46Å; L62-F75 VanDerWaalsContact CD1-CE1 3.46Å; L62-F75 HydrophobicContact CD1-CE2 4.36Å; L62-F75 HydrophobicContact CD1-CG 4.23Å; L62-F75 HydrophobicContact CD1-CZ 3.85Å; L62-F75 HydrophobicContact CD2-CD1 4.27Å; L62-F75 HydrophobicContact CD2-CE1 3.92Å; L62-F75 HydrophobicContact CG-CE1 4.12Å; N66-F75 WeakPolarHBondContact ND2-CZ 3.33Å; N66-F75 WeakPolarHBondContact OD1-CE2 3.48Å; N66-F75 WeakPolarHBondContact OD1-CZ 3.48Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.13Å; F75-I78 PolarHBondContact O-N 3Å; F75-H79 PolarHBondContact O-N 3.38Å
76P69.5Low65.7Low73 Ų7366 Ų6647%0.47436%0.363SS..Hα-helixtrans-60.7-37.1176.6-24.135.3000113I78 H79 D80P76-I78 PolarHBondContact O-N 3.01Å; P76-H79 PolarHBondContact O-N 2.85Å; P76-D80 WeakPolarHBondContact O-CB 3.42Å; P76-D80 VanDerWaalsContact O-CG 3.27Å; P76-D80 PolarHBondContact O-N 3Å
77L69Low66.8Low17 Ų1766.6 Ų66.69%0.08936%0.364CS..Hα-helixtrans-67.4-38.3-178.9-64.9169.7000112.9I74 F75 D80 L81 Y204 L205I74-L77 WeakPolarHBondContact O-CB 3.45Å; I74-L77 PolarHBondContact O-N 3.16Å; F75-L77 VanDerWaalsContact C-N 3.29Å; F75-L77 PolarHBondContact O-N 3.13Å; L77-D80 PolarHBondContact O-N 3.48Å; L77-L81 WeakPolarHBondContact O-CB 3.5Å; L77-L81 PolarHBondContact O-N 3.36Å; L77-Y204 HydrophobicContact CD1-CD1 3.52Å; L77-Y204 HydrophobicContact CD1-CE1 3.67Å; L77-Y204 HydrophobicContact CD2-CD1 3.22Å; L77-Y204 HydrophobicContact CD2-CE1 3.63Å; L77-Y204 HydrophobicContact CD2-CG 4.1Å; L77-Y204 HydrophobicContact CG-CD1 3.87Å; L77-Y204 HydrophobicContact CG-CE1 3.97Å; L77-L205 HydrophobicContact CD1-CD1 4.05Å
78I67.4Low68.1Low14 Ų1463.5 Ų63.57%0.07234%0.341CS..Hα-helixtrans-67.9-43.8177.6-66.4178.6000109.7L58 L62 I74 F75 P76 D80 L81 E82L58-I78 HydrophobicContact CB-CG2 4.25Å; L62-I78 HydrophobicContact CB-CD1 3.71Å; L62-I78 HydrophobicContact CD1-CD1 3.7Å; L62-I78 HydrophobicContact CG-CD1 4.16Å; I74-I78 HydrophobicContact CG2-CD1 4.02Å; I74-I78 HydrophobicContact CG2-CG1 4.25Å; I74-I78 PolarHBondContact O-N 3.34Å; F75-I78 PolarHBondContact O-N 3Å; P76-I78 PolarHBondContact O-N 3.01Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.19Å; I78-L81 PolarHBondContact O-N 3.49Å; I78-E82 HydrophobicContact CG2-CG 4.46Å; I78-E82 WeakPolarHBondContact O-CG 3.4Å; I78-E82 PolarHBondContact O-N 2.91Å
79H73.3Confident69.4Low120 Ų12059 Ų5956%0.55632%0.318SS*.Hα-helixtrans-60.7-41.8175.1-179.9-85.2000112F75 P76 L81 E82 S83F75-H79 PolarHBondContact O-N 3.38Å; P76-H79 PolarHBondContact O-N 2.85Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 3.25Å; H79-E82 PolarHBondContact O-N 3.44Å; H79-S83 WeakPolarHBondContact O-CB 3.48Å; H79-S83 PolarHBondContact O-N 3.43Å
80D77.1Confident70.9Confident69 Ų6959.4 Ų59.437%0.36932%0.318SS..Hα-helixtrans-65.3-35.2177.4-73.8-16.9000112.6P76 L77 I78 A84 I201P76-D80 WeakPolarHBondContact O-CB 3.42Å; P76-D80 VanDerWaalsContact O-CG 3.27Å; P76-D80 PolarHBondContact O-N 3Å; L77-D80 PolarHBondContact O-N 3.48Å; I78-D80 VanDerWaalsContact C-N 3.33Å; I78-D80 PolarHBondContact O-N 3.19Å; D80-A84 WeakPolarHBondContact O-CB 3.07Å; D80-A84 PolarHBondContact O-N 2.9Å; D80-I201 HydrophobicContact CB-CD1 4.14Å
81L74.1Confident72.5Confident14 Ų1453.8 Ų53.87%0.07328%0.283CS..Hα-helixtrans-71.9-45.6177-172.257.1000111.7L58 L77 I78 H79 S83 A84 H85 I198 I201L58-L81 HydrophobicContact CD1-CB 4.24Å; L58-L81 HydrophobicContact CD1-CD2 3.34Å; L58-L81 HydrophobicContact CD1-CG 3.69Å; L58-L81 HydrophobicContact CD2-CD2 3.44Å; L58-L81 VanDerWaalsContact CD2-CD2 3.44Å; L58-L81 HydrophobicContact CG-CD2 3.97Å; L77-L81 WeakPolarHBondContact O-CB 3.5Å; L77-L81 PolarHBondContact O-N 3.36Å; I78-L81 PolarHBondContact O-N 3.49Å; H79-L81 VanDerWaalsContact C-N 3.31Å; H79-L81 PolarHBondContact O-N 3.25Å; L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 2.91Å; L81-A84 PolarHBondContact O-N 3.27Å; L81-H85 WeakPolarHBondContact O-CB 3.46Å; L81-H85 PolarHBondContact O-CD2 3.01Å; L81-H85 VanDerWaalsContact O-CD2 3.28Å; L81-H85 PolarHBondContact O-N 2.94Å; L81-I198 HydrophobicContact CD1-CD1 3.45Å; L81-I198 VanDerWaalsContact CD1-CD1 3.45Å; L81-I198 HydrophobicContact CD1-CG1 4Å; L81-I201 HydrophobicContact CB-CG2 4.38Å
82E74.3Confident74.1Confident72 Ų7252.2 Ų52.234%0.33627%0.273SS..Hα-helixtrans-59.1-42.8172.5-73.7-178.6162.200111.1I78 H79 H85 F86I78-E82 HydrophobicContact CG2-CG 4.46Å; I78-E82 WeakPolarHBondContact O-CG 3.4Å; I78-E82 PolarHBondContact O-N 2.91Å; H79-E82 PolarHBondContact O-N 3.44Å; E82-H85 PolarHBondContact O-N 3.19Å; E82-F86 WeakPolarHBondContact O-CB 3.38Å; E82-F86 PolarHBondContact O-N 3.35Å
83S81.6Confident75.3Confident43 Ų4351.2 Ų51.230%0.30126%0.26SS..Hα-helixtrans-61.4-46.9175.9176.70000112H79 L81 H85 F86 E87 R197H79-S83 WeakPolarHBondContact O-CB 3.48Å; H79-S83 PolarHBondContact O-N 3.43Å; L81-S83 VanDerWaalsContact C-N 3.3Å; L81-S83 PolarHBondContact O-N 2.91Å; S83-H85 VanDerWaalsContact C-N 3.3Å; S83-H85 PolarHBondContact O-N 3.33Å; S83-F86 PolarHBondContact O-N 3.14Å; S83-E87 WeakPolarHBondContact O-CB 3.4Å; S83-E87 PolarHBondContact O-N 3.16Å; S83-R197 PolarHBondContact OG-NH2 2.97Å
84A79.7Confident76.5Confident4 Ų452 Ų523%0.03326%0.261CS..Hα-helixtrans-61.6-39.4178.200000112.1D80 L81 L88 F194 R197 I201D80-A84 WeakPolarHBondContact O-CB 3.07Å; D80-A84 PolarHBondContact O-N 2.9Å; L81-A84 PolarHBondContact O-N 3.27Å; A84-L88 PolarHBondContact O-N 3.45Å; A84-F194 HydrophobicContact CB-CD2 4.46Å; A84-F194 HydrophobicContact CB-CE2 4.44Å; A84-F194 WeakPolarHBondContact O-CD2 3.46Å; A84-R197 HydrophobicContact CB-CG 4.21Å; A84-I201 HydrophobicContact CB-CD1 4.49Å
85H78.5Confident77.7Confident10 Ų1055.1 Ų55.15%0.04628%0.277CS..Hα-helixtrans-68.8-42176.3-92.6-71.7000113.4T51 I54 L81 E82 S83 L88 T89 F194T51-H85 HydrophobicContact CG2-CB 3.69Å; I54-H85 WeakPolarHBondContact CD1-CE1 3.42Å; L81-H85 WeakPolarHBondContact O-CB 3.46Å; L81-H85 PolarHBondContact O-CD2 3.01Å; L81-H85 VanDerWaalsContact O-CD2 3.28Å; L81-H85 PolarHBondContact O-N 2.94Å; E82-H85 PolarHBondContact O-N 3.19Å; S83-H85 VanDerWaalsContact C-N 3.3Å; S83-H85 PolarHBondContact O-N 3.33Å; H85-L88 PolarHBondContact O-N 2.98Å; H85-T89 PolarHBondContact O-N 3.41Å; H85-T89 VanDerWaalsContact O-N 3.08Å; H85-T89 PolarHBondContact O-OG1 3.04Å; H85-F194 AromaticContact CE1-CE2 3.86Å; H85-F194 AromaticContact CE1-CZ 3.31Å; H85-F194 WeakPolarHBondContact CE1-CZ 3.09Å; H85-F194 AromaticContact CG-CE2 3.9Å; H85-F194 AromaticContact ND1-CE2 3.73Å; H85-F194 AromaticContact ND1-CZ 3.6Å; H85-F194 AromaticContact NE2-CZ 3.67Å
86F78.6Confident78.6Confident146 Ų14650.8 Ų50.864%0.6426%0.258SS*.Hα-helixtrans-63.6-44.3175.7-178.6-96.2000111E82 S83 L88 T89 D90E82-F86 WeakPolarHBondContact O-CB 3.38Å; E82-F86 PolarHBondContact O-N 3.35Å; S83-F86 PolarHBondContact O-N 3.14Å; F86-L88 PolarHBondContact O-N 3.34Å; F86-T89 PolarHBondContact O-N 3.17Å; F86-T89 VanDerWaalsContact O-N 3.17Å; F86-D90 HydrophobicContact CE1-CB 4.47Å; F86-D90 WeakPolarHBondContact O-CB 3.31Å; F86-D90 PolarHBondContact O-N 3.01Å
87E82.7Confident79.3Confident92 Ų9248 Ų4843%0.4324%0.24SC..Hα-helixtrans-63-41.1177.8-171.9176.9166.400112.2S83 T89 D90 T91 R197S83-E87 WeakPolarHBondContact O-CB 3.4Å; S83-E87 PolarHBondContact O-N 3.16Å; E87-T89 VanDerWaalsContact C-N 3.33Å; E87-T89 PolarHBondContact O-N 3.5Å; E87-D90 PolarHBondContact O-N 3.34Å; E87-T91 VanDerWaalsContact O-CB 3.23Å; E87-T91 WeakPolarHBondContact O-CB 3.35Å; E87-T91 PolarHBondContact O-N 3.19Å; E87-T91 PolarHBondContact O-OG1 3.37Å; E87-R197 IonicContact OE2-CZ 3.8Å; E87-R197 IonicContact OE2-NH1 2.64Å; E87-R197 PolarHBondContact OE2-NH1 2.98Å
88L83.4Confident80Confident11 Ų1151 Ų516%0.05825%0.253CS..Hα-helixtrans-57.1-48.8171.9174.867.3000110.7A84 H85 F86 T91 L92 Y191 F194A84-L88 PolarHBondContact O-N 3.45Å; H85-L88 PolarHBondContact O-N 2.98Å; F86-L88 PolarHBondContact O-N 3.34Å; L88-T91 PolarHBondContact O-N 3.38Å; L88-L92 HydrophobicContact CD1-CD1 3.75Å; L88-L92 HydrophobicContact CD1-CG 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.94Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CG 3.25Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 2.83Å; L88-Y191 HydrophobicContact CD1-CD1 4.48Å; L88-Y191 HydrophobicContact CD2-CE1 4.24Å; L88-F194 HydrophobicContact CB-CB 4.44Å; L88-F194 HydrophobicContact CB-CD2 3.77Å; L88-F194 HydrophobicContact CB-CE2 4.29Å; L88-F194 HydrophobicContact CB-CG 4.21Å; L88-F194 HydrophobicContact CD1-CB 3.99Å; L88-F194 HydrophobicContact CD1-CG 4.25Å; L88-F194 HydrophobicContact CD2-CB 4.39Å; L88-F194 HydrophobicContact CD2-CD1 3.86Å; L88-F194 HydrophobicContact CD2-CD2 3.83Å; L88-F194 HydrophobicContact CD2-CE1 4.01Å; L88-F194 HydrophobicContact CD2-CE2 3.97Å; L88-F194 HydrophobicContact CD2-CG 3.75Å; L88-F194 HydrophobicContact CD2-CZ 4.04Å; L88-F194 HydrophobicContact CG-CB 4.49Å; L88-F194 HydrophobicContact CG-CD2 4.27Å; L88-F194 HydrophobicContact CG-CG 4.28Å
89T79.2Confident80.9Confident16 Ų1651.4 Ų51.410%0.09826%0.257CS..Hα-helixtrans-65.2-45.1-177.4-58.50000111.3R48 T51 H85 F86 E87 N93R48-T89 HydrophobicContact CB-CG2 4.47Å; T51-T89 PolarHBondContact OG1-OG1 2.93Å; H85-T89 PolarHBondContact O-N 3.41Å; H85-T89 VanDerWaalsContact O-N 3.08Å; H85-T89 PolarHBondContact O-OG1 3.04Å; F86-T89 PolarHBondContact O-N 3.17Å; F86-T89 VanDerWaalsContact O-N 3.17Å; E87-T89 VanDerWaalsContact C-N 3.33Å; E87-T89 PolarHBondContact O-N 3.5Å; T89-N93 WeakPolarHBondContact O-CB 3.25Å; T89-N93 PolarHBondContact O-N 2.86Å; T89-N93 PolarHBondContact O-ND2 3.48Å; T89-N93 VanDerWaalsContact O-ND2 3.12Å
90D82.4Confident81.4Confident55 Ų5545.7 Ų45.729%0.29423%0.23SC..Hα-helixtrans-64.2-43178.4-173.754.9000111.9F86 E87 N93 K94F86-D90 HydrophobicContact CE1-CB 4.47Å; F86-D90 WeakPolarHBondContact O-CB 3.31Å; F86-D90 PolarHBondContact O-N 3.01Å; E87-D90 PolarHBondContact O-N 3.34Å; D90-N93 PolarHBondContact O-N 3.29Å; D90-K94 VanDerWaalsContact CG-NZ 3.25Å; D90-K94 WeakPolarHBondContact O-CG 3.49Å; D90-K94 PolarHBondContact O-N 3.2Å; D90-K94 WeakPolarHBondContact OD1-CE 3.44Å; D90-K94 IonicContact OD1-NZ 3.03Å; D90-K94 PolarHBondContact OD1-NZ 2.64Å; D90-K94 WeakPolarHBondContact OD2-CE 3.24Å; D90-K94 IonicContact OD2-NZ 2.69Å; D90-K94 PolarHBondContact OD2-NZ 2.95Å
91T83.5Confident81.8Confident32 Ų3246.6 Ų46.620%0.19623%0.234CC..Hα-helixtrans-67-44.4179.4-53.80000111.4E87 L88 N93 K94 L95 T190E87-T91 VanDerWaalsContact O-CB 3.23Å; E87-T91 WeakPolarHBondContact O-CB 3.35Å; E87-T91 PolarHBondContact O-N 3.19Å; E87-T91 PolarHBondContact O-OG1 3.37Å; L88-T91 PolarHBondContact O-N 3.38Å; T91-N93 VanDerWaalsContact C-N 3.34Å; T91-N93 PolarHBondContact O-N 3.49Å; T91-K94 PolarHBondContact O-N 3.39Å; T91-L95 HydrophobicContact CG2-CD1 3.64Å; T91-L95 HydrophobicContact CG2-CG 4.26Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 3.44Å; T91-T190 HydrophobicContact CG2-CG2 3.5Å
92L83.8Confident82.4Confident1 Ų151.8 Ų51.81%0.00526%0.256CS..Hα-helixtrans-63.7-39175.4-73.1178000111.7N47 L88 K94 L96 P97 L187 T190 Y191N47-L92 VanDerWaalsContact ND2-CD1 3.32Å; N47-L92 WeakPolarHBondContact ND2-CD1 3.49Å; L88-L92 HydrophobicContact CD1-CD1 3.75Å; L88-L92 HydrophobicContact CD1-CG 4.04Å; L88-L92 HydrophobicContact CG-CD1 3.94Å; L88-L92 HydrophobicContact CG-CG 4.49Å; L88-L92 WeakPolarHBondContact O-CB 3.37Å; L88-L92 VanDerWaalsContact O-CG 3.25Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 2.83Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 3.44Å; L92-L96 HydrophobicContact CD2-CD2 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.09Å; L92-L96 PolarHBondContact O-N 3.22Å; L92-P97 WeakPolarHBondContact O-CD 3.46Å; L92-L187 HydrophobicContact CD2-CD1 3.9Å; L92-T190 HydrophobicContact CD2-CG2 4.47Å; L92-T190 VanDerWaalsContact CD2-OG1 3.27Å; L92-T190 WeakPolarHBondContact CD2-OG1 3.44Å; L92-Y191 HydrophobicContact CD1-CE2 4.46Å
93N80.3Confident83Confident70 Ų7048.6 Ų48.637%0.37424%0.241SC..Hα-helixtrans-63.9-38177.4-75.1-21.9000112.9V44 T89 D90 T91 P97V44-N93 WeakPolarHBondContact CG1-OD1 3.35Å; T89-N93 WeakPolarHBondContact O-CB 3.25Å; T89-N93 PolarHBondContact O-N 2.86Å; T89-N93 PolarHBondContact O-ND2 3.48Å; T89-N93 VanDerWaalsContact O-ND2 3.12Å; D90-N93 PolarHBondContact O-N 3.29Å; T91-N93 VanDerWaalsContact C-N 3.34Å; T91-N93 PolarHBondContact O-N 3.49Å; N93-P97 WeakPolarHBondContact O-CD 3.38Å; N93-P97 WeakPolarHBondContact O-CG 3.2Å
94K83.1Confident83.1Confident129 Ų12948.5 Ų48.556%0.56124%0.237SC*.Hα-helixtrans-82.9-49.7-176.2-72.3171.3178.9164.90112.5D90 T91 L92D90-K94 VanDerWaalsContact CG-NZ 3.25Å; D90-K94 WeakPolarHBondContact O-CG 3.49Å; D90-K94 PolarHBondContact O-N 3.2Å; D90-K94 WeakPolarHBondContact OD1-CE 3.44Å; D90-K94 IonicContact OD1-NZ 3.03Å; D90-K94 PolarHBondContact OD1-NZ 2.64Å; D90-K94 WeakPolarHBondContact OD2-CE 3.24Å; D90-K94 IonicContact OD2-NZ 2.69Å; D90-K94 PolarHBondContact OD2-NZ 2.95Å; T91-K94 PolarHBondContact O-N 3.39Å; L92-K94 VanDerWaalsContact C-N 3.34Å; L92-K94 PolarHBondContact O-N 3.44Å
95L86.2Confident83.4Confident75 Ų7550.2 Ų50.239%0.39325%0.251SS..Hα-helixtrans-94.9-30.4-165.9-59.2-177000113.6T91 P99 V186T91-L95 HydrophobicContact CG2-CD1 3.64Å; T91-L95 HydrophobicContact CG2-CG 4.26Å; T91-L95 WeakPolarHBondContact O-CB 3.48Å; T91-L95 PolarHBondContact O-N 3.44Å; L95-P99 VanDerWaalsContact O-CD 3.28Å; L95-P99 WeakPolarHBondContact O-CD 3.25Å; L95-V186 HydrophobicContact CB-CG1 3.64Å
96L82.4Confident83.9Confident4 Ų453.4 Ų53.42%0.02127%0.265CS..SBendtrans-67.8-41.6-175.9-170.565.5000113.1I40 L43 L92 A183 V186 L187I40-L96 HydrophobicContact CG2-CB 4.49Å; I40-L96 HydrophobicContact CG2-CD2 3.76Å; I40-L96 HydrophobicContact CG2-CG 3.82Å; L43-L96 HydrophobicContact CD2-CD2 4.39Å; L92-L96 HydrophobicContact CD2-CD2 4.3Å; L92-L96 WeakPolarHBondContact O-CB 3.09Å; L92-L96 PolarHBondContact O-N 3.22Å; L96-A183 HydrophobicContact CD1-CB 4.4Å; L96-A183 WeakPolarHBondContact CD1-O 3.45Å; L96-V186 HydrophobicContact CD1-CG1 4.48Å; L96-L187 HydrophobicContact CD1-CB 3.93Å; L96-L187 HydrophobicContact CD1-CD1 4.18Å; L96-L187 HydrophobicContact CD2-CD1 4.03Å
97P84.1Confident84.1Confident13 Ų1347.2 Ų47.28%0.08424%0.237CC..SBendtrans-77.2-23.4-178.6-15.232000113.1F37 I40 L92 N93 I100 I101F37-P97 HydrophobicContact CE2-CB 3.98Å; I40-P97 HydrophobicContact CG2-CG 4.36Å; L92-P97 WeakPolarHBondContact O-CD 3.46Å; N93-P97 WeakPolarHBondContact O-CD 3.38Å; N93-P97 WeakPolarHBondContact O-CG 3.2Å; P97-I100 PolarHBondContact O-N 3Å; P97-I101 HydrophobicContact CB-CD1 3.82Å; P97-I101 HydrophobicContact CB-CG1 4.41Å; P97-I101 VanDerWaalsContact O-CG1 3.31Å; P97-I101 WeakPolarHBondContact O-CG1 3.35Å; P97-I101 PolarHBondContact O-N 3.44Å
98E85.2Confident84.2Confident81 Ų8150.3 Ų50.338%0.37925%0.249SC..Hα-helixtrans-57.6-48.3-169-174.3-173.5174.100114.1I100 I101 K102E98-I100 VanDerWaalsContact C-N 3.28Å; E98-I100 PolarHBondContact O-N 3.44Å; E98-I101 PolarHBondContact O-N 3.46Å; E98-K102 HydrophobicContact CG-CD 4.37Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.86Å; E98-K102 WeakPolarHBondContact OE1-CE 3.42Å; E98-K102 IonicContact OE1-NZ 3.69Å; E98-K102 PolarHBondContact OE1-NZ 2.88Å
99P85.1Confident84.3Confident22 Ų2256.4 Ų56.414%0.14328%0.277CS..Hα-helixtrans-61.1-37.8178.9-2334.2000112.5L95 Q103 A179 D182 A183L95-P99 VanDerWaalsContact O-CD 3.28Å; L95-P99 WeakPolarHBondContact O-CD 3.25Å; P99-Q103 WeakPolarHBondContact O-CB 3.23Å; P99-Q103 PolarHBondContact O-N 2.85Å; P99-Q103 VanDerWaalsContact O-N 3.12Å; P99-A179 HydrophobicContact CB-CB 4.25Å; P99-A179 WeakPolarHBondContact CB-O 3.34Å; P99-D182 HydrophobicContact CB-CB 4.19Å; P99-D182 HydrophobicContact CG-CB 4.13Å; P99-A183 HydrophobicContact CG-CB 4.46Å
100I85Confident84.7Confident1 Ų156.3 Ų56.31%0.00528%0.276CS..Hα-helixtrans-74.6-40.9-177.7-55.2-60.6000111M33 I36 F37 I40 P97 E98 Q103 M104 A183M33-I100 HydrophobicContact CE-CD1 3.38Å; M33-I100 HydrophobicContact CE-CG2 4.25Å; M33-I100 HydrophobicContact CG-CG2 4.17Å; I36-I100 HydrophobicContact CG2-CD1 4.21Å; F37-I100 HydrophobicContact CB-CG2 4.01Å; F37-I100 HydrophobicContact CD2-CG2 4.32Å; I40-I100 HydrophobicContact CD1-CB 4.45Å; I40-I100 HydrophobicContact CD1-CD1 4.46Å; I40-I100 HydrophobicContact CD1-CG1 3.6Å; P97-I100 PolarHBondContact O-N 3Å; E98-I100 VanDerWaalsContact C-N 3.28Å; E98-I100 PolarHBondContact O-N 3.44Å; I100-Q103 PolarHBondContact O-N 3.48Å; I100-M104 HydrophobicContact CG2-CG 4.49Å; I100-M104 HydrophobicContact CG2-SD 4.37Å; I100-M104 WeakPolarHBondContact O-CG 3.4Å; I100-M104 PolarHBondContact O-N 3.46Å; I100-A183 HydrophobicContact CD1-CB 4.22Å; I100-A183 HydrophobicContact CG1-CB 4.25Å
101I84.9Confident84.8Confident88 Ų8856.2 Ų56.245%0.45127%0.273SS..Hα-helixtrans-60.7-46.6175.3-68.9168.1000110.5F37 P97 E98 Q103 M104 A105F37-I101 HydrophobicContact CD2-CG1 4.18Å; F37-I101 HydrophobicContact CE2-CD1 3.88Å; F37-I101 HydrophobicContact CE2-CG1 3.59Å; F37-I101 HydrophobicContact CZ-CD1 4.43Å; F37-I101 HydrophobicContact CZ-CG1 4.33Å; P97-I101 HydrophobicContact CB-CD1 3.82Å; P97-I101 HydrophobicContact CB-CG1 4.41Å; P97-I101 VanDerWaalsContact O-CG1 3.31Å; P97-I101 WeakPolarHBondContact O-CG1 3.35Å; P97-I101 PolarHBondContact O-N 3.44Å; E98-I101 PolarHBondContact O-N 3.46Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.02Å; I101-M104 PolarHBondContact O-N 2.97Å; I101-A105 PolarHBondContact O-N 3.36Å
102K87.4Confident85Confident123 Ų12358.7 Ų58.754%0.53529%0.29SS..Hα-helixtrans-58-42.5176.2-73.8178.4-176.1170.60111.2E98 A105 K106E98-K102 HydrophobicContact CG-CD 4.37Å; E98-K102 WeakPolarHBondContact O-CG 3.48Å; E98-K102 PolarHBondContact O-N 2.86Å; E98-K102 WeakPolarHBondContact OE1-CE 3.42Å; E98-K102 IonicContact OE1-NZ 3.69Å; E98-K102 PolarHBondContact OE1-NZ 2.88Å; K102-A105 WeakPolarHBondContact O-CB 3.19Å; K102-A105 PolarHBondContact O-N 3.46Å; K102-K106 PolarHBondContact O-N 3.36Å
103Q86Confident85.2Confident4 Ų461.1 Ų61.12%0.01930%0.301CS..Hα-helixtrans-68.2-40178.2-172.261.220.700113.1M33 P99 I100 I101 A105 K106 Y107 V172 G176 A179M33-Q103 HydrophobicContact CE-CB 4.11Å; M33-Q103 HydrophobicContact CE-CG 3.87Å; M33-Q103 HydrophobicContact CG-CG 4.41Å; P99-Q103 WeakPolarHBondContact O-CB 3.23Å; P99-Q103 PolarHBondContact O-N 2.85Å; P99-Q103 VanDerWaalsContact O-N 3.12Å; I100-Q103 PolarHBondContact O-N 3.48Å; I101-Q103 VanDerWaalsContact C-N 3.28Å; I101-Q103 PolarHBondContact O-N 3.02Å; Q103-A105 VanDerWaalsContact C-N 3.28Å; Q103-A105 PolarHBondContact O-N 3.08Å; Q103-K106 WeakPolarHBondContact O-CB 3.32Å; Q103-K106 PolarHBondContact O-N 3.08Å; Q103-Y107 HydrophobicContact CG-CD2 4.16Å; Q103-Y107 HydrophobicContact CG-CE2 3.92Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.47Å; Q103-Y107 PolarHBondContact O-N 3.26Å; Q103-Y107 VanDerWaalsContact O-N 3.15Å; Q103-V172 VanDerWaalsContact NE2-CG1 3.29Å; Q103-V172 PolarHBondContact NE2-O 3.47Å; Q103-G176 VanDerWaalsContact CD-CA 3.41Å; Q103-A179 HydrophobicContact CB-CB 4.09Å; Q103-A179 HydrophobicContact CG-CB 4.45Å
104M82.9Confident85.5Confident41 Ų4157.9 Ų57.920%0.20228%0.284CS..Hα-helixtrans-61.7-37.4175.5-74.4-178.971.200111.8M33 A34 F37 I100 I101 Y107 K108M33-M104 HydrophobicContact CB-CG 4.05Å; M33-M104 HydrophobicContact CG-CG 3.97Å; A34-M104 HydrophobicContact CB-CE 3.96Å; F37-M104 HydrophobicContact CB-SD 3.93Å; F37-M104 HydrophobicContact CG-SD 4.16Å; I100-M104 HydrophobicContact CG2-CG 4.49Å; I100-M104 HydrophobicContact CG2-SD 4.37Å; I100-M104 WeakPolarHBondContact O-CG 3.4Å; I100-M104 PolarHBondContact O-N 3.46Å; I101-M104 PolarHBondContact O-N 2.97Å; M104-Y107 PolarHBondContact O-N 2.73Å; M104-K108 WeakPolarHBondContact O-CB 3.31Å; M104-K108 PolarHBondContact O-N 3.11Å
105A87.6Confident85.7Confident40 Ų4057.4 Ų57.433%0.33128%0.282SS..Hα-helixtrans-61.4-43.3174.200000111.5I101 K102 Q103 Y107 K108 H109I101-A105 PolarHBondContact O-N 3.36Å; K102-A105 WeakPolarHBondContact O-CB 3.19Å; K102-A105 PolarHBondContact O-N 3.46Å; Q103-A105 VanDerWaalsContact C-N 3.28Å; Q103-A105 PolarHBondContact O-N 3.08Å; A105-Y107 PolarHBondContact O-N 2.93Å; A105-K108 WeakPolarHBondContact O-CB 3.25Å; A105-K108 PolarHBondContact O-N 3.29Å; A105-K108 VanDerWaalsContact O-N 3.11Å; A105-H109 PolarHBondContact O-CD2 3.37Å; A105-H109 PolarHBondContact O-N 2.87Å
106K87.9Confident85.8Confident78 Ų7858.6 Ų58.634%0.33929%0.286SS..Hα-helixtrans-59.5-45.8176.3-67.6-178.1177.5-174.90112.6K102 Q103 K108 H109 L110 V172 E175K102-K106 PolarHBondContact O-N 3.36Å; Q103-K106 WeakPolarHBondContact O-CB 3.32Å; Q103-K106 PolarHBondContact O-N 3.08Å; K106-K108 VanDerWaalsContact C-N 3.31Å; K106-K108 PolarHBondContact O-N 3.37Å; K106-H109 PolarHBondContact O-N 3.49Å; K106-L110 PolarHBondContact O-N 2.86Å; K106-V172 HydrophobicContact CB-CG1 4.31Å; K106-V172 HydrophobicContact CB-CG2 4.41Å; K106-E175 VanDerWaalsContact CD-OE2 3.25Å; K106-E175 WeakPolarHBondContact CD-OE2 3.48Å; K106-E175 WeakPolarHBondContact CE-OE2 3.5Å; K106-E175 IonicContact NZ-OE1 3.07Å; K106-E175 PolarHBondContact NZ-OE1 3.38Å; K106-E175 IonicContact NZ-OE2 2.65Å; K106-E175 PolarHBondContact NZ-OE2 3.29Å
107Y83Confident86Confident15 Ų1558.5 Ų58.56%0.05929%0.285CS..Hα-helixtrans-61.5-38.5173.7-79.7-69.1000112.5T26 K29 H30 Q103 M104 A105 H109 L110 V172T26-Y107 HydrophobicContact CG2-CD1 4.01Å; T26-Y107 HydrophobicContact CG2-CE1 4.3Å; K29-Y107 HydrophobicContact CB-CE1 4.01Å; H30-Y107 HydrophobicContact CB-CG 4.37Å; H30-Y107 VanDerWaalsContact ND1-CB 3.31Å; H30-Y107 WeakPolarHBondContact ND1-CB 3.25Å; Q103-Y107 HydrophobicContact CG-CD2 4.16Å; Q103-Y107 HydrophobicContact CG-CE2 3.92Å; Q103-Y107 WeakPolarHBondContact O-CD2 3.47Å; Q103-Y107 PolarHBondContact O-N 3.26Å; Q103-Y107 VanDerWaalsContact O-N 3.15Å; M104-Y107 PolarHBondContact O-N 2.73Å; A105-Y107 PolarHBondContact O-N 2.93Å; Y107-H109 VanDerWaalsContact C-N 3.3Å; Y107-H109 PolarHBondContact O-N 2.93Å; Y107-L110 HydrophobicContact CD1-CD1 4.44Å; Y107-L110 PolarHBondContact O-N 3.1Å; Y107-L110 VanDerWaalsContact O-N 3.16Å; Y107-V172 HydrophobicContact CD1-CG1 3.95Å; Y107-V172 HydrophobicContact CD2-CG1 4.24Å; Y107-V172 HydrophobicContact CE1-CG1 3.73Å; Y107-V172 HydrophobicContact CE2-CG1 4.06Å; Y107-V172 HydrophobicContact CG-CG1 4.19Å
108K84.5Confident86.1Confident157 Ų15760.9 Ų60.968%0.68330%0.295SS*.Hα-helixtrans-64-34.6176.2-170.2179.2179.6-177.90112.2M104 A105 K106 L110 E111M104-K108 WeakPolarHBondContact O-CB 3.31Å; M104-K108 PolarHBondContact O-N 3.11Å; A105-K108 WeakPolarHBondContact O-CB 3.25Å; A105-K108 PolarHBondContact O-N 3.29Å; A105-K108 VanDerWaalsContact O-N 3.11Å; K106-K108 VanDerWaalsContact C-N 3.31Å; K106-K108 PolarHBondContact O-N 3.37Å; K108-L110 VanDerWaalsContact C-N 3.29Å; K108-L110 PolarHBondContact O-N 3.28Å; K108-E111 WeakPolarHBondContact O-CB 3.38Å; K108-E111 PolarHBondContact O-N 3.5Å
109H86.8Confident86.2Confident140 Ų14060.6 Ų60.665%0.64830%0.302SS*.Hα-helixtrans-71.1-19.6175-72.6-65000114A105 K106 Y107 P112A105-H109 PolarHBondContact O-CD2 3.37Å; A105-H109 PolarHBondContact O-N 2.87Å; K106-H109 PolarHBondContact O-N 3.49Å; Y107-H109 VanDerWaalsContact C-N 3.3Å; Y107-H109 PolarHBondContact O-N 2.93Å; H109-P112 WeakPolarHBondContact O-CD 3.31Å
110L86.3Confident86.3Confident13 Ų1359.8 Ų59.87%0.06830%0.297CS..Hα-helixtrans-79.1-23.9173.5-68.8174000112.9T26 K106 Y107 K108 Q113 L114 L165 K168 V172T26-L110 HydrophobicContact CG2-CD1 4.45Å; K106-L110 PolarHBondContact O-N 2.86Å; Y107-L110 HydrophobicContact CD1-CD1 4.44Å; Y107-L110 PolarHBondContact O-N 3.1Å; Y107-L110 VanDerWaalsContact O-N 3.16Å; K108-L110 VanDerWaalsContact C-N 3.29Å; K108-L110 PolarHBondContact O-N 3.28Å; L110-Q113 PolarHBondContact O-N 3.14Å; L110-Q113 VanDerWaalsContact O-N 3.1Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 3.02Å; L110-L165 HydrophobicContact CD2-CD2 4.45Å; L110-K168 HydrophobicContact CD2-CB 4.01Å; L110-K168 HydrophobicContact CD2-CD 4.44Å; L110-V172 HydrophobicContact CD1-CB 4.11Å; L110-V172 HydrophobicContact CD1-CG1 4.07Å; L110-V172 HydrophobicContact CD1-CG2 3.94Å
111E84.8Confident86.2Confident53 Ų5360.9 Ų60.925%0.24831%0.306CS..Hα-helixtrans-56.9-41.5-175.1-171.865.5-157.700114.2R27 K108 Q113 L114 K115R27-E111 IonicContact CZ-OE1 3.02Å; R27-E111 IonicContact NE-OE1 3.86Å; R27-E111 PolarHBondContact NE-OE1 3.24Å; R27-E111 IonicContact NE-OE2 3.41Å; R27-E111 IonicContact NH2-OE1 3.3Å; R27-E111 PolarHBondContact NH2-OE1 3.18Å; R27-E111 VanDerWaalsContact NH2-OE1 3.07Å; K108-E111 WeakPolarHBondContact O-CB 3.38Å; K108-E111 PolarHBondContact O-N 3.5Å; E111-Q113 PolarHBondContact O-N 3.24Å; E111-L114 PolarHBondContact O-N 3.23Å; E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.03Å
112P88.8Confident86.4Confident84 Ų8463.1 Ų63.155%0.54531%0.314SS..Hα-helixtrans-60.9-41.4175.2-23.635000113.1H109 K115 E116H109-P112 WeakPolarHBondContact O-CD 3.31Å; P112-K115 PolarHBondContact O-N 2.95Å; P112-E116 PolarHBondContact O-N 3.3Å
113Q87.3Confident86.4Confident52 Ų5261.9 Ų61.924%0.24331%0.306CS..Hα-helixtrans-70.4-35.8179.5-66.9173.615.600111L110 E111 E116 L117 L165 K168L110-Q113 PolarHBondContact O-N 3.14Å; L110-Q113 VanDerWaalsContact O-N 3.1Å; E111-Q113 PolarHBondContact O-N 3.24Å; Q113-E116 WeakPolarHBondContact O-CB 3.36Å; Q113-E116 PolarHBondContact O-N 3.31Å; Q113-L117 PolarHBondContact O-N 2.91Å; Q113-L165 HydrophobicContact CB-CD1 4.34Å; Q113-L165 HydrophobicContact CB-CD2 3.57Å; Q113-L165 HydrophobicContact CB-CG 4.26Å; Q113-K168 VanDerWaalsContact NE2-NZ 3.16Å; Q113-K168 VanDerWaalsContact OE1-CD 3.31Å
114L85.8Confident86.3Confident2 Ų262.5 Ų62.51%0.0131%0.31CS..Hα-helixtrans-63.1-42.1172.3-68.1172.3000112V23 T26 L110 E111 E116 L117 E118 L165V23-L114 HydrophobicContact CG2-CD2 4.14Å; T26-L114 HydrophobicContact CG2-CD1 3.7Å; L110-L114 WeakPolarHBondContact O-CG 3.4Å; L110-L114 PolarHBondContact O-N 3.02Å; E111-L114 PolarHBondContact O-N 3.23Å; L114-E116 VanDerWaalsContact C-N 3.31Å; L114-E116 PolarHBondContact O-N 3.31Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.46Å; L114-E118 WeakPolarHBondContact O-CG 3.27Å; L114-E118 PolarHBondContact O-N 3.26Å; L114-L165 HydrophobicContact CD2-CD1 4.47Å; L114-L165 HydrophobicContact CD2-CD2 4.45Å
115K87.6Confident86.5Confident120 Ų12064.4 Ų64.452%0.52232%0.321SS..Hα-helixtrans-64.2-37.3174.8-73.6179.1178.8-178.90112.1E111 P112 L117 E118 S119E111-K115 WeakPolarHBondContact O-CG 3.43Å; E111-K115 PolarHBondContact O-N 3.03Å; P112-K115 PolarHBondContact O-N 2.95Å; K115-L117 VanDerWaalsContact C-N 3.34Å; K115-E118 PolarHBondContact O-N 2.86Å; K115-S119 WeakPolarHBondContact O-CB 3.38Å; K115-S119 PolarHBondContact O-N 3.03Å
116E88.4Confident86.5Confident99 Ų9971.5 Ų71.546%0.46334%0.339SS..Hα-helixtrans-64-40.4172.9-169.1178.9-179.600111.2P112 Q113 L114 S119 T120 L161P112-E116 PolarHBondContact O-N 3.3Å; Q113-E116 WeakPolarHBondContact O-CB 3.36Å; Q113-E116 PolarHBondContact O-N 3.31Å; L114-E116 VanDerWaalsContact C-N 3.31Å; L114-E116 PolarHBondContact O-N 3.31Å; E116-S119 PolarHBondContact O-N 3.39Å; E116-T120 WeakPolarHBondContact O-CG2 3.32Å; E116-T120 PolarHBondContact O-N 3.01Å; E116-T120 PolarHBondContact O-OG1 2.93Å; E116-T120 VanDerWaalsContact O-OG1 3.06Å; E116-L161 HydrophobicContact CB-CD2 4Å; E116-L161 HydrophobicContact CG-CD2 3.73Å
117L85.8Confident86.6Confident2 Ų269.6 Ų69.61%0.0133%0.332CS..Hα-helixtrans-63.1-44.9174.9-174.768.3000112V19 L22 V23 Q113 L114 K115 S119 T120 A121 Y158 L161 T162 L165V19-L117 HydrophobicContact CG1-CD2 3.8Å; V19-L117 HydrophobicContact CG1-CG 4.44Å; L22-L117 HydrophobicContact CD2-CD2 4.45Å; V23-L117 HydrophobicContact CG2-CD2 4.33Å; Q113-L117 PolarHBondContact O-N 2.91Å; L114-L117 WeakPolarHBondContact O-CB 3.45Å; L114-L117 PolarHBondContact O-N 3.46Å; K115-L117 VanDerWaalsContact C-N 3.34Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.29Å; L117-T120 WeakPolarHBondContact CA-OG1 3.48Å; L117-T120 PolarHBondContact O-N 3.27Å; L117-T120 PolarHBondContact O-OG1 3.45Å; L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.91Å; L117-Y158 HydrophobicContact CD1-CD2 3.79Å; L117-Y158 HydrophobicContact CD1-CE2 3.67Å; L117-Y158 HydrophobicContact CG-CE2 4.28Å; L117-L161 HydrophobicContact CB-CD2 4.01Å; L117-L161 HydrophobicContact CB-CG 4.36Å; L117-L161 HydrophobicContact CD1-CB 4.27Å; L117-L161 HydrophobicContact CD1-CD2 4.2Å; L117-L161 HydrophobicContact CD1-CG 4.08Å; L117-T162 WeakPolarHBondContact CD1-OG1 3.44Å; L117-L165 HydrophobicContact CB-CD1 3.66Å; L117-L165 HydrophobicContact CD1-CD1 4.39Å; L117-L165 HydrophobicContact CD2-CD1 3.7Å; L117-L165 HydrophobicContact CG-CD1 4.11Å
118E87Confident86.7Confident63 Ų6372.2 Ų72.229%0.29434%0.343SS..Hα-helixtrans-58.6-44.9173.9-71.2176.4144.500111.1V23 R27 L114 K115 A121 H122V23-E118 HydrophobicContact CG1-CG 4.4Å; V23-E118 WeakPolarHBondContact CG1-OE1 3.33Å; V23-E118 HydrophobicContact CG2-CG 4.31Å; R27-E118 IonicContact CZ-OE1 3.52Å; R27-E118 IonicContact CZ-OE2 3.89Å; R27-E118 IonicContact NH1-OE1 3.86Å; R27-E118 PolarHBondContact NH1-OE1 2.89Å; R27-E118 IonicContact NH1-OE2 2.76Å; R27-E118 IonicContact NH2-OE1 2.63Å; R27-E118 PolarHBondContact NH2-OE1 2.98Å; R27-E118 IonicContact NH2-OE2 2.62Å; R27-E118 PolarHBondContact NH2-OE2 3.29Å; L114-E118 WeakPolarHBondContact O-CG 3.27Å; L114-E118 PolarHBondContact O-N 3.26Å; K115-E118 PolarHBondContact O-N 2.86Å; E118-A121 WeakPolarHBondContact O-CB 3.24Å; E118-A121 PolarHBondContact O-N 3.35Å; E118-H122 PolarHBondContact O-CD2 2.92Å; E118-H122 PolarHBondContact O-N 3.28Å
119S88.1Confident87Confident76 Ų7673.1 Ų73.153%0.53134%0.342SS..Hα-helixtrans-63.9-44.2177.9-178.30000112.8K115 E116 L117 H122 R123K115-S119 WeakPolarHBondContact O-CB 3.38Å; K115-S119 PolarHBondContact O-N 3.03Å; E116-S119 PolarHBondContact O-N 3.39Å; L117-S119 VanDerWaalsContact C-N 3.33Å; L117-S119 PolarHBondContact O-N 3.29Å; S119-H122 PolarHBondContact O-N 2.94Å; S119-R123 PolarHBondContact O-N 3.44Å
120T87.4Confident87.1Confident4 Ų469.2 Ų69.23%0.02533%0.326CS..Hα-helixtrans-66.8-37.3177.154.10000111.7E116 L117 H122 R123 V124 L161E116-T120 WeakPolarHBondContact O-CG2 3.32Å; E116-T120 PolarHBondContact O-N 3.01Å; E116-T120 PolarHBondContact O-OG1 2.93Å; E116-T120 VanDerWaalsContact O-OG1 3.06Å; L117-T120 WeakPolarHBondContact CA-OG1 3.48Å; L117-T120 PolarHBondContact O-N 3.27Å; L117-T120 PolarHBondContact O-OG1 3.45Å; T120-H122 PolarHBondContact O-N 3.07Å; T120-R123 WeakPolarHBondContact O-CB 3.4Å; T120-R123 PolarHBondContact O-N 2.95Å; T120-R123 VanDerWaalsContact O-N 3.15Å; T120-V124 WeakPolarHBondContact O-CG2 3.33Å; T120-V124 PolarHBondContact O-N 3.16Å; T120-L161 HydrophobicContact CG2-CD2 4.27Å
121A82.3Confident87Confident24 Ų2469.3 Ų69.320%0.19833%0.327CS..Hα-helixtrans-59.8-44.5172.200000111.8L117 E118 R123 V124 N125 Y158L117-A121 WeakPolarHBondContact O-CB 3.47Å; L117-A121 PolarHBondContact O-N 2.91Å; E118-A121 WeakPolarHBondContact O-CB 3.24Å; E118-A121 PolarHBondContact O-N 3.35Å; A121-R123 VanDerWaalsContact C-N 3.32Å; A121-R123 PolarHBondContact O-N 3.3Å; A121-V124 PolarHBondContact O-N 2.83Å; A121-N125 WeakPolarHBondContact O-CB 3.19Å; A121-N125 PolarHBondContact O-N 3.36Å; A121-N125 PolarHBondContact O-ND2 3.32Å; A121-Y158 HydrophobicContact CB-CD2 4.1Å; A121-Y158 HydrophobicContact CB-CE2 3.64Å
122H88.3Confident87.2Confident135 Ų13570.9 Ų70.963%0.62534%0.337SS*.Hα-helixtrans-61.8-40.4174-74.7-53.4000112.1E118 S119 T120 N125 R126E118-H122 PolarHBondContact O-CD2 2.92Å; E118-H122 PolarHBondContact O-N 3.28Å; S119-H122 PolarHBondContact O-N 2.94Å; T120-H122 PolarHBondContact O-N 3.07Å; H122-N125 PolarHBondContact O-N 3.41Å; H122-R126 WeakPolarHBondContact O-CB 3.43Å; H122-R126 PolarHBondContact O-N 3.23Å
123R88Confident87.2Confident98 Ų9871.2 Ų71.237%0.3733%0.331SS..Hα-helixtrans-63.6-45.4176.4-170.3171.466.1-160.7-3.6111.8S119 T120 A121 N125 R126 H127 N157S119-R123 PolarHBondContact O-N 3.44Å; T120-R123 WeakPolarHBondContact O-CB 3.4Å; T120-R123 PolarHBondContact O-N 2.95Å; T120-R123 VanDerWaalsContact O-N 3.15Å; A121-R123 VanDerWaalsContact C-N 3.32Å; A121-R123 PolarHBondContact O-N 3.3Å; R123-N125 PolarHBondContact O-N 2.94Å; R123-R126 WeakPolarHBondContact O-CB 3.07Å; R123-R126 PolarHBondContact O-N 3.42Å; R123-H127 PolarHBondContact O-CD2 3.03Å; R123-H127 PolarHBondContact O-N 3.03Å; R123-N157 PolarHBondContact NH2-ND2 3.46Å
124V84.6Confident87.2Confident17 Ų1768.7 Ų68.710%0.10332%0.32CS..Hα-helixtrans-57.3-49.1174.2171.80000110.7T120 A121 R126 H127 K128 Y151 S154 Y158T120-V124 WeakPolarHBondContact O-CG2 3.33Å; T120-V124 PolarHBondContact O-N 3.16Å; A121-V124 PolarHBondContact O-N 2.83Å; V124-R126 VanDerWaalsContact C-N 3.32Å; V124-R126 PolarHBondContact O-N 3.39Å; V124-H127 PolarHBondContact O-N 3.21Å; V124-K128 WeakPolarHBondContact O-CB 2.88Å; V124-K128 PolarHBondContact O-N 2.96Å; V124-Y151 HydrophobicContact CG1-CE2 4.03Å; V124-S154 VanDerWaalsContact CG2-C 3.48Å; V124-S154 VanDerWaalsContact CG2-O 3.26Å; V124-S154 WeakPolarHBondContact CG2-O 3.41Å; V124-Y158 HydrophobicContact CG2-CG 4.28Å
125N86.7Confident87Confident80 Ų8074.6 Ų74.643%0.42834%0.343SS..Hα-helixtrans-60-40.5178.1-80.2-41.4000112.5A121 H122 R123 K128 R129A121-N125 WeakPolarHBondContact O-CB 3.19Å; A121-N125 PolarHBondContact O-N 3.36Å; A121-N125 PolarHBondContact O-ND2 3.32Å; H122-N125 PolarHBondContact O-N 3.41Å; R123-N125 PolarHBondContact O-N 2.94Å; N125-K128 PolarHBondContact O-N 3.09Å; N125-R129 WeakPolarHBondContact O-CG 3.28Å; N125-R129 PolarHBondContact O-N 2.97Å
126R87.5Confident86.8Confident189 Ų18973.7 Ų73.771%0.71335%0.351SS*.Hα-helixtrans-63.1-45.5175-174.1-179.4-179.2-176.71.4111.6H122 R123 V124 R129 N130H122-R126 WeakPolarHBondContact O-CB 3.43Å; H122-R126 PolarHBondContact O-N 3.23Å; R123-R126 WeakPolarHBondContact O-CB 3.07Å; R123-R126 PolarHBondContact O-N 3.42Å; V124-R126 VanDerWaalsContact C-N 3.32Å; V124-R126 PolarHBondContact O-N 3.39Å; R126-R129 PolarHBondContact O-N 2.89Å; R126-N130 PolarHBondContact O-N 3.5Å
127H88.8Confident86.7Confident39 Ų3977.1 Ų77.118%0.18136%0.36CS..Hα-helixtrans-69.3-36.7178.6-70.6-61000112.7R123 V124 R129 N130 L131 Y151 S154R123-H127 PolarHBondContact O-CD2 3.03Å; R123-H127 PolarHBondContact O-N 3.03Å; V124-H127 PolarHBondContact O-N 3.21Å; H127-R129 PolarHBondContact O-N 3.34Å; H127-N130 PolarHBondContact O-N 3.31Å; H127-L131 WeakPolarHBondContact O-CB 3.44Å; H127-L131 PolarHBondContact O-N 2.69Å; H127-Y151 HydrophobicContact CB-CD2 4.43Å; H127-S154 PolarHBondContact CD2-OG 3.27Å
128K86.8Confident86.2Confident70 Ų7082 Ų8230%0.30439%0.394SS..Hα-helixtrans-59.3-46.1172.4-169.5173.4178.9176.90111.2V124 N125 N130 L131 N132 Y151 Y536V124-K128 WeakPolarHBondContact O-CB 2.88Å; V124-K128 PolarHBondContact O-N 2.96Å; N125-K128 PolarHBondContact O-N 3.09Å; K128-N130 PolarHBondContact O-N 3.45Å; K128-L131 WeakPolarHBondContact O-CB 3.35Å; K128-L131 PolarHBondContact O-N 2.89Å; K128-N132 PolarHBondContact O-N 3.17Å; K128-Y151 HydrophobicContact CB-CD2 3.91Å; K128-Y151 HydrophobicContact CB-CE2 3.69Å; K128-Y151 HydrophobicContact CD-CE2 4.3Å; K128-Y151 HydrophobicContact CG-CE2 4.01Å; K128-Y536 PolarHBondContact NZ-O 2.76Å
129R89Confident85.7Confident175 Ų17582.6 Ų82.666%0.6639%0.394SS*.Hα-helixtrans-61.1-43.6174.7-71.7175.9-171.7169.43.2112.1N125 R126 H127 L131 N132 Q133N125-R129 WeakPolarHBondContact O-CG 3.28Å; N125-R129 PolarHBondContact O-N 2.97Å; R126-R129 PolarHBondContact O-N 2.89Å; H127-R129 PolarHBondContact O-N 3.34Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-N132 PolarHBondContact O-N 3.49Å; R129-Q133 WeakPolarHBondContact O-CB 3.32Å; R129-Q133 VanDerWaalsContact O-CG 3.28Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.31Å
130N88.9Confident85.6Confident58 Ų5882.1 Ų82.131%0.3139%0.39SS..Hα-helixtrans-67.8-34.6178.7-167.213.6000112.5R126 H127 K128 S134 R139R126-N130 PolarHBondContact O-N 3.5Å; H127-N130 PolarHBondContact O-N 3.31Å; K128-N130 PolarHBondContact O-N 3.45Å; N130-S134 WeakPolarHBondContact O-CB 3.45Å; N130-S134 PolarHBondContact O-N 2.69Å; N130-S134 PolarHBondContact O-OG 2.86Å; N130-R139 PolarHBondContact OD1-NH1 3.48Å
131L85.8Confident85.6Confident15 Ų1585.9 Ų85.98%0.07942%0.422CS..Hα-helixtrans-62-53.3172.5-17762.8000110.3H127 K128 R129 Q133 S134 Y135 A147 H148 Y151H127-L131 WeakPolarHBondContact O-CB 3.44Å; H127-L131 PolarHBondContact O-N 2.69Å; K128-L131 WeakPolarHBondContact O-CB 3.35Å; K128-L131 PolarHBondContact O-N 2.89Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.47Å; L131-S134 WeakPolarHBondContact O-CB 3.41Å; L131-S134 PolarHBondContact O-N 2.83Å; L131-Y135 HydrophobicContact CD1-CD2 4.11Å; L131-Y135 HydrophobicContact CD1-CE2 3.46Å; L131-Y135 VanDerWaalsContact CD1-CE2 3.46Å; L131-Y135 HydrophobicContact CD2-CE2 4.45Å; L131-Y135 HydrophobicContact CG-CD2 4.1Å; L131-Y135 HydrophobicContact CG-CE2 3.72Å; L131-Y135 VanDerWaalsContact O-CD2 3.25Å; L131-Y135 WeakPolarHBondContact O-CD2 3.2Å; L131-Y135 PolarHBondContact O-N 3.46Å; L131-Y135 VanDerWaalsContact O-N 3.1Å; L131-A147 HydrophobicContact CD1-CB 3.99Å; L131-H148 HydrophobicContact CD1-CB 3.96Å; L131-Y151 HydrophobicContact CD2-CD1 3.89Å; L131-Y151 HydrophobicContact CD2-CG 4.04Å
132N87.9Confident85.9Confident86 Ų8690.2 Ų90.246%0.4645%0.446SS..Hα-helixtrans-56.6-46.8177.5-69.7-5.4000111.5K128 R129 S134 Y135 S136K128-N132 PolarHBondContact O-N 3.17Å; R129-N132 PolarHBondContact O-N 3.49Å; N132-S134 VanDerWaalsContact C-N 3.26Å; N132-S134 PolarHBondContact O-N 3.3Å; N132-Y135 PolarHBondContact O-N 3.5Å; N132-S136 PolarHBondContact O-N 3Å; N132-S136 PolarHBondContact O-OG 3.38Å; N132-S136 VanDerWaalsContact O-OG 3.05Å
133Q90Very high85.9Confident91 Ų9189.9 Ų89.943%0.42544%0.442SS..Hα-helixtrans-61.1-33.9176.2-74.2177.16.300113.1R129 L131 S136 R137R129-Q133 WeakPolarHBondContact O-CB 3.32Å; R129-Q133 VanDerWaalsContact O-CG 3.28Å; R129-Q133 WeakPolarHBondContact O-CG 3.48Å; R129-Q133 PolarHBondContact O-N 3.31Å; L131-Q133 VanDerWaalsContact C-N 3.34Å; L131-Q133 PolarHBondContact O-N 3.47Å; Q133-S136 PolarHBondContact O-N 3.27Å; Q133-R137 WeakPolarHBondContact O-CB 3.48Å; Q133-R137 WeakPolarHBondContact O-CG 3.47Å; Q133-R137 PolarHBondContact O-N 3.5Å
134S86.5Confident85.9Confident0 Ų088.1 Ų88.10%044%0.437CS..Hα-helixtrans-71.4-31.9178.8-61.70000112.2N130 L131 N132 R139 K144N130-S134 WeakPolarHBondContact O-CB 3.45Å; N130-S134 PolarHBondContact O-N 2.69Å; N130-S134 PolarHBondContact O-OG 2.86Å; L131-S134 WeakPolarHBondContact O-CB 3.41Å; L131-S134 PolarHBondContact O-N 2.83Å; N132-S134 VanDerWaalsContact C-N 3.26Å; N132-S134 PolarHBondContact O-N 3.3Å; S134-R139 PolarHBondContact O-N 3.49Å; S134-R139 PolarHBondContact OG-NH1 3.47Å; S134-K144 WeakPolarHBondContact O-CE 3.36Å
135Y81.8Confident86Confident126 Ų12692 Ų9249%0.49445%0.454SS..Hα-helixtrans-71.8-46.1169.4-74.4-71.9000112.1L131 N132 R137 K144L131-Y135 HydrophobicContact CD1-CD2 4.11Å; L131-Y135 HydrophobicContact CD1-CE2 3.46Å; L131-Y135 VanDerWaalsContact CD1-CE2 3.46Å; L131-Y135 HydrophobicContact CD2-CE2 4.45Å; L131-Y135 HydrophobicContact CG-CD2 4.1Å; L131-Y135 HydrophobicContact CG-CE2 3.72Å; L131-Y135 VanDerWaalsContact O-CD2 3.25Å; L131-Y135 WeakPolarHBondContact O-CD2 3.2Å; L131-Y135 PolarHBondContact O-N 3.46Å; L131-Y135 VanDerWaalsContact O-N 3.1Å; N132-Y135 PolarHBondContact O-N 3.5Å; Y135-R137 PolarHBondContact O-N 3.08Å; Y135-K144 HydrophobicContact CD1-CD 4.27Å; Y135-K144 HydrophobicContact CE1-CD 4.3Å
136S83.9Confident86.3Confident100 Ų10095.1 Ų95.170%0.69946%0.464SS*.Hα-helixtrans-66.7-32.4-178.1-53.10000114.1N132 Q133N132-S136 PolarHBondContact O-N 3Å; N132-S136 PolarHBondContact O-OG 3.38Å; N132-S136 VanDerWaalsContact O-OG 3.05Å; Q133-S136 PolarHBondContact O-N 3.27Å
137R85.4Confident86.3Confident172 Ų17286.3 Ų86.365%0.64943%0.432SS*.THydrogen-bonded Turntrans-9418.6-176.3-65.1-174.3178.4-171.32.9114.4Q133 Y135 R139Q133-R137 WeakPolarHBondContact O-CB 3.48Å; Q133-R137 WeakPolarHBondContact O-CG 3.47Å; Q133-R137 PolarHBondContact O-N 3.5Å; Y135-R137 PolarHBondContact O-N 3.08Å; R137-R139 HydrophobicContact CB-CG 4.34Å; R137-R139 PolarHBondContact O-N 2.94Å
138S75.6Confident86.3Confident104 Ų10487.7 Ų87.773%0.72744%0.438SS*.THydrogen-bonded Turntrans47.839.7179.5-60.80000114
139R77.3Confident86.5Confident76 Ų7688.8 Ų88.829%0.28745%0.447SS..  trans-65.5159.1-179.6-68.3-169.2174.2162.5-5.1111.5N130 S134 R137 K143 K144N130-R139 PolarHBondContact OD1-NH1 3.48Å; S134-R139 PolarHBondContact O-N 3.49Å; S134-R139 PolarHBondContact OG-NH1 3.47Å; R137-R139 HydrophobicContact CB-CG 4.34Å; R137-R139 PolarHBondContact O-N 2.94Å; R139-K143 HydrophobicContact CB-CB 4.02Å; R139-K143 HydrophobicContact CB-CD 4.46Å; R139-K144 HydrophobicContact CB-CG 4.49Å; R139-K144 WeakPolarHBondContact O-CE 3.46Å
140S84.5Confident86.5Confident65 Ų6583.2 Ų83.246%0.45543%0.43SS..  trans-55.9152.2175.865.10000112V142 K143 K144S140-V142 PolarHBondContact O-N 3.4Å; S140-K143 PolarHBondContact O-N 2.91Å; S140-K143 PolarHBondContact OG-N 3.4Å; S140-K144 PolarHBondContact O-N 3.36Å
141A87.7Confident86.4Confident83 Ų8383.3 Ų83.369%0.68643%0.426SS*.Hα-helixtrans-51.6-43.317800000111.9K143 K144 E145A141-K143 PolarHBondContact O-N 2.92Å; A141-K144 PolarHBondContact O-N 2.98Å; A141-E145 WeakPolarHBondContact O-CB 3.3Å; A141-E145 PolarHBondContact O-N 3.01Å
142V89.1Confident86.6Confident116 Ų11689.6 Ų89.670%0.70345%0.449SS*.Hα-helixtrans-59.7-41.8177-177.30000112.6S140 K146S140-V142 PolarHBondContact O-N 3.4Å; V142-K146 WeakPolarHBondContact O-CB 3.38Å; V142-K146 PolarHBondContact O-N 2.71Å
143K89Confident86.6Confident128 Ų12888.2 Ų88.256%0.55745%0.449SS*.Hα-helixtrans-70.5-35.9178.6-75.9-177.7-179.3178.10111.9R139 S140 A141 A147R139-K143 HydrophobicContact CB-CB 4.02Å; R139-K143 HydrophobicContact CB-CD 4.46Å; S140-K143 PolarHBondContact O-N 2.91Å; S140-K143 PolarHBondContact OG-N 3.4Å; A141-K143 PolarHBondContact O-N 2.92Å; K143-A147 PolarHBondContact O-N 3.26Å; K143-A147 VanDerWaalsContact O-N 3.13Å
144K86.9Confident86.3Confident60 Ų6084.3 Ų84.326%0.26143%0.432SS..Hα-helixtrans-65.3-47.2174.2-70.4177.4175.8174.80110.6S134 Y135 R139 S140 A141 K146 A147 H148S134-K144 WeakPolarHBondContact O-CE 3.36Å; Y135-K144 HydrophobicContact CD1-CD 4.27Å; Y135-K144 HydrophobicContact CE1-CD 4.3Å; R139-K144 HydrophobicContact CB-CG 4.49Å; R139-K144 WeakPolarHBondContact O-CE 3.46Å; S140-K144 PolarHBondContact O-N 3.36Å; A141-K144 PolarHBondContact O-N 2.98Å; K144-K146 PolarHBondContact O-N 3.03Å; K144-A147 WeakPolarHBondContact O-CB 3.43Å; K144-A147 PolarHBondContact O-N 2.86Å; K144-A147 VanDerWaalsContact O-N 3.15Å; K144-H148 WeakPolarHBondContact O-CB 3.45Å; K144-H148 PolarHBondContact O-N 3.42Å
145E87.6Confident86.2Confident99 Ų9985.6 Ų85.646%0.46344%0.441SS..Hα-helixtrans-62.2-44.5178.6-17154.8-145.300111.8A141 A147 H148 I149A141-E145 WeakPolarHBondContact O-CB 3.3Å; A141-E145 PolarHBondContact O-N 3.01Å; E145-A147 VanDerWaalsContact C-N 3.3Å; E145-A147 PolarHBondContact O-N 3.21Å; E145-H148 WeakPolarHBondContact O-CB 3.5Å; E145-H148 PolarHBondContact O-N 3.08Å; E145-H148 VanDerWaalsContact O-N 3.09Å; E145-I149 HydrophobicContact CG-CD1 4Å; E145-I149 HydrophobicContact CG-CG1 4.47Å; E145-I149 WeakPolarHBondContact O-CG1 3.34Å; E145-I149 PolarHBondContact O-N 3.48Å
146K91.4Very high86.4Confident145 Ų14584.5 Ų84.563%0.6344%0.442SS*.Hα-helixtrans-59.3-39.4174.3-174.8172-177.4172.30112.5V142 K144 N150V142-K146 WeakPolarHBondContact O-CB 3.38Å; V142-K146 PolarHBondContact O-N 2.71Å; K144-K146 PolarHBondContact O-N 3.03Å; K146-N150 WeakPolarHBondContact O-CB 3.46Å; K146-N150 PolarHBondContact O-N 2.86Å; K146-N150 PolarHBondContact O-ND2 3.11Å
147A87.8Confident86.6Confident5 Ų582.6 Ų82.64%0.04142%0.424CS..Hα-helixtrans-67.8-37.817600000111.8L131 K143 K144 E145 Y151L131-A147 HydrophobicContact CD1-CB 3.99Å; K143-A147 PolarHBondContact O-N 3.26Å; K143-A147 VanDerWaalsContact O-N 3.13Å; K144-A147 WeakPolarHBondContact O-CB 3.43Å; K144-A147 PolarHBondContact O-N 2.86Å; K144-A147 VanDerWaalsContact O-N 3.15Å; E145-A147 VanDerWaalsContact C-N 3.3Å; E145-A147 PolarHBondContact O-N 3.21Å; A147-Y151 WeakPolarHBondContact O-CB 3.31Å; A147-Y151 PolarHBondContact O-N 3.37Å
148H89.3Confident86.6Confident67 Ų6776.7 Ų76.731%0.3140%0.402SS..Hα-helixtrans-66.9-47.2178.2-175.1-107.7000111.9L131 K144 E145 N150 Y151 R152L131-H148 HydrophobicContact CD1-CB 3.96Å; K144-H148 WeakPolarHBondContact O-CB 3.45Å; K144-H148 PolarHBondContact O-N 3.42Å; E145-H148 WeakPolarHBondContact O-CB 3.5Å; E145-H148 PolarHBondContact O-N 3.08Å; E145-H148 VanDerWaalsContact O-N 3.09Å; H148-N150 PolarHBondContact O-N 2.75Å; H148-Y151 PolarHBondContact O-N 2.96Å; H148-R152 WeakPolarHBondContact O-CB 3.41Å; H148-R152 PolarHBondContact O-N 3.46Å
149I90.5Very high87Confident94 Ų9474.7 Ų74.748%0.48238%0.383SS..Hα-helixtrans-58.2-46.2175-66.7168.3000110.9E145 Y151 R152 A153E145-I149 HydrophobicContact CG-CD1 4Å; E145-I149 HydrophobicContact CG-CG1 4.47Å; E145-I149 WeakPolarHBondContact O-CG1 3.34Å; E145-I149 PolarHBondContact O-N 3.48Å; I149-Y151 VanDerWaalsContact C-N 3.35Å; I149-Y151 PolarHBondContact O-N 2.93Å; I149-R152 PolarHBondContact O-N 2.9Å; I149-A153 WeakPolarHBondContact O-CB 3.45Å; I149-A153 PolarHBondContact O-N 3.43Å
150N90.1Very high87.4Confident57 Ų5779.1 Ų79.131%0.30540%0.401SS..Hα-helixtrans-63.5-39179-74-28.7000113K146 H148 S154K146-N150 WeakPolarHBondContact O-CB 3.46Å; K146-N150 PolarHBondContact O-N 2.86Å; K146-N150 PolarHBondContact O-ND2 3.11Å; H148-N150 PolarHBondContact O-N 2.75Å; N150-S154 WeakPolarHBondContact O-CB 3.42Å; N150-S154 PolarHBondContact O-N 3.38Å; N150-S154 VanDerWaalsContact O-N 3.1Å; N150-S154 PolarHBondContact O-OG 2.98Å
151Y87.2Confident87.6Confident61 Ų6176.6 Ų76.624%0.23938%0.382CS..Hα-helixtrans-64.7-48.6174.6172.6-107.4000110.9V124 H127 K128 L131 A147 H148 I149 A153 S154 S155V124-Y151 HydrophobicContact CG1-CE2 4.03Å; H127-Y151 HydrophobicContact CB-CD2 4.43Å; K128-Y151 HydrophobicContact CB-CD2 3.91Å; K128-Y151 HydrophobicContact CB-CE2 3.69Å; K128-Y151 HydrophobicContact CD-CE2 4.3Å; K128-Y151 HydrophobicContact CG-CE2 4.01Å; L131-Y151 HydrophobicContact CD2-CD1 3.89Å; L131-Y151 HydrophobicContact CD2-CG 4.04Å; A147-Y151 WeakPolarHBondContact O-CB 3.31Å; A147-Y151 PolarHBondContact O-N 3.37Å; H148-Y151 PolarHBondContact O-N 2.96Å; I149-Y151 VanDerWaalsContact C-N 3.35Å; I149-Y151 PolarHBondContact O-N 2.93Å; Y151-A153 PolarHBondContact O-N 3.35Å; Y151-S154 PolarHBondContact O-N 3.1Å; Y151-S155 WeakPolarHBondContact O-CB 3.47Å; Y151-S155 PolarHBondContact O-N 3.48Å
152R88.6Confident87.3Confident147 Ų14773.3 Ų73.356%0.55535%0.354SS*.Hα-helixtrans-60.2-45.9178.8-171.1176.1-179162.31.4112.1H148 I149 S154 S155 M156H148-R152 WeakPolarHBondContact O-CB 3.41Å; H148-R152 PolarHBondContact O-N 3.46Å; I149-R152 PolarHBondContact O-N 2.9Å; R152-S154 VanDerWaalsContact C-N 3.34Å; R152-S154 PolarHBondContact O-N 3.43Å; R152-S155 PolarHBondContact O-N 3.38Å; R152-M156 HydrophobicContact CG-CE 3.99Å; R152-M156 HydrophobicContact CG-SD 4.23Å; R152-M156 WeakPolarHBondContact O-CG 3.48Å; R152-M156 PolarHBondContact O-N 3.37Å
153A88.5Confident87.1Confident57 Ų5772.7 Ų72.747%0.47135%0.347SS..Hα-helixtrans-61.8-40.7177.300000112.3I149 Y151 N157I149-A153 WeakPolarHBondContact O-CB 3.45Å; I149-A153 PolarHBondContact O-N 3.43Å; Y151-A153 PolarHBondContact O-N 3.35Å; A153-N157 PolarHBondContact O-N 3.11Å
154S84.2Confident86.9Confident8 Ų868.3 Ų68.36%0.05633%0.332CS..Hα-helixtrans-70.6-38.5177-62.50000112.5V124 H127 N150 Y151 R152 N157 Y158V124-S154 VanDerWaalsContact CG2-C 3.48Å; V124-S154 VanDerWaalsContact CG2-O 3.26Å; V124-S154 WeakPolarHBondContact CG2-O 3.41Å; H127-S154 PolarHBondContact CD2-OG 3.27Å; N150-S154 WeakPolarHBondContact O-CB 3.42Å; N150-S154 PolarHBondContact O-N 3.38Å; N150-S154 VanDerWaalsContact O-N 3.1Å; N150-S154 PolarHBondContact O-OG 2.98Å; Y151-S154 PolarHBondContact O-N 3.1Å; R152-S154 VanDerWaalsContact C-N 3.34Å; R152-S154 PolarHBondContact O-N 3.43Å; S154-N157 PolarHBondContact O-N 2.65Å; S154-Y158 WeakPolarHBondContact O-CB 3.37Å; S154-Y158 PolarHBondContact O-N 3.35Å
155S83.4Confident86.9Confident28 Ų2865.7 Ų65.720%0.19632%0.32CS..Hα-helixtrans-62.7-47.9176.5-165.20000110.8Y151 R152 N157 Y158 D159Y151-S155 WeakPolarHBondContact O-CB 3.47Å; Y151-S155 PolarHBondContact O-N 3.48Å; R152-S155 PolarHBondContact O-N 3.38Å; S155-N157 VanDerWaalsContact C-N 3.32Å; S155-N157 PolarHBondContact O-N 3.06Å; S155-Y158 WeakPolarHBondContact O-CB 3.45Å; S155-Y158 PolarHBondContact O-N 3.34Å; S155-Y158 VanDerWaalsContact O-N 3.16Å; S155-D159 PolarHBondContact O-N 3.12Å
156M86.1Confident86.6Confident103 Ų10362.5 Ų62.551%0.50731%0.308SS..Hα-helixtrans-59.1-42177.7-74.6173.3166.800112.5R152 D159 Y160R152-M156 HydrophobicContact CG-CE 3.99Å; R152-M156 HydrophobicContact CG-SD 4.23Å; R152-M156 WeakPolarHBondContact O-CG 3.48Å; R152-M156 PolarHBondContact O-N 3.37Å; M156-D159 PolarHBondContact O-N 2.94Å; M156-Y160 WeakPolarHBondContact O-CB 3.39Å; M156-Y160 PolarHBondContact O-N 3.48Å
157N88Confident86.2Confident60 Ų6060.7 Ų60.732%0.32131%0.305SS..Hα-helixtrans-65.8-41.7177-168.9-3.9000111.6R123 A153 S154 S155 Y160 L161R123-N157 PolarHBondContact NH2-ND2 3.46Å; A153-N157 PolarHBondContact O-N 3.11Å; S154-N157 PolarHBondContact O-N 2.65Å; S155-N157 VanDerWaalsContact C-N 3.32Å; S155-N157 PolarHBondContact O-N 3.06Å; N157-Y160 PolarHBondContact O-N 3.36Å; N157-L161 WeakPolarHBondContact O-CB 3.29Å; N157-L161 PolarHBondContact O-N 3.45Å
158Y85.8Confident86.2Confident47 Ų4764.1 Ų64.118%0.18432%0.319CS..Hα-helixtrans-62.8-45.1175.7175.2-97.4000112.4V19 L117 A121 V124 S154 S155 L161 T162V19-Y158 VanDerWaalsContact CB-OH 3.23Å; V19-Y158 WeakPolarHBondContact CB-OH 3.43Å; V19-Y158 HydrophobicContact CG1-CE2 4.35Å; V19-Y158 WeakPolarHBondContact CG1-OH 3.27Å; L117-Y158 HydrophobicContact CD1-CD2 3.79Å; L117-Y158 HydrophobicContact CD1-CE2 3.67Å; L117-Y158 HydrophobicContact CG-CE2 4.28Å; A121-Y158 HydrophobicContact CB-CD2 4.1Å; A121-Y158 HydrophobicContact CB-CE2 3.64Å; V124-Y158 HydrophobicContact CG2-CG 4.28Å; S154-Y158 WeakPolarHBondContact O-CB 3.37Å; S154-Y158 PolarHBondContact O-N 3.35Å; S155-Y158 WeakPolarHBondContact O-CB 3.45Å; S155-Y158 PolarHBondContact O-N 3.34Å; S155-Y158 VanDerWaalsContact O-N 3.16Å; Y158-L161 PolarHBondContact O-N 3.29Å; Y158-T162 VanDerWaalsContact O-CB 3.31Å; Y158-T162 WeakPolarHBondContact O-CB 3.44Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 PolarHBondContact O-OG1 3.49Å
159D83.2Confident85.8Confident63 Ų6361.3 Ų61.334%0.33731%0.306SS..Hα-helixtrans-63.9-42.7179-63.9-27.5000111.1S155 M156 T162 N163S155-D159 PolarHBondContact O-N 3.12Å; M156-D159 PolarHBondContact O-N 2.94Å; D159-T162 PolarHBondContact O-N 3.24Å; D159-N163 PolarHBondContact O-N 2.89Å; D159-N163 PolarHBondContact O-ND2 2.92Å
160Y87.5Confident85.3Confident168 Ų16859.9 Ų59.966%0.65930%0.299SS*.Hα-helixtrans-59.9-49.8175.4175.7-99.8000112.1M156 N157 T162 N163 C164M156-Y160 WeakPolarHBondContact O-CB 3.39Å; M156-Y160 PolarHBondContact O-N 3.48Å; N157-Y160 PolarHBondContact O-N 3.36Å; Y160-T162 VanDerWaalsContact C-N 3.33Å; Y160-T162 PolarHBondContact O-N 2.99Å; Y160-N163 PolarHBondContact O-N 3.49Å; Y160-C164 WeakPolarHBondContact O-CB 3.37Å; Y160-C164 PolarHBondContact O-N 2.94Å; Y160-C164 VanDerWaalsContact O-N 3.07Å
161L87.2Confident85.1Confident13 Ų1360.8 Ų60.87%0.06831%0.307CS..Hα-helixtrans-66.6-37-179.8-174.558.9000111.8E116 L117 T120 N157 Y158 L165E116-L161 HydrophobicContact CB-CD2 4Å; E116-L161 HydrophobicContact CG-CD2 3.73Å; L117-L161 HydrophobicContact CB-CD2 4.01Å; L117-L161 HydrophobicContact CB-CG 4.36Å; L117-L161 HydrophobicContact CD1-CB 4.27Å; L117-L161 HydrophobicContact CD1-CD2 4.2Å; L117-L161 HydrophobicContact CD1-CG 4.08Å; T120-L161 HydrophobicContact CG2-CD2 4.27Å; N157-L161 WeakPolarHBondContact O-CB 3.29Å; N157-L161 PolarHBondContact O-N 3.45Å; Y158-L161 PolarHBondContact O-N 3.29Å; L161-L165 HydrophobicContact CD1-CD1 4.17Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.01Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.5Å; L161-L165 PolarHBondContact O-N 3.36Å
162T81.7Confident84.9Confident13 Ų1358.6 Ų58.68%0.0830%0.3CS..Hα-helixtrans-60.9-52.2175.8-58.90000110.7V19 L117 Y158 D159 Y160 C164 L165 V166V19-T162 HydrophobicContact CG1-CG2 4.26Å; V19-T162 HydrophobicContact CG2-CG2 3.73Å; L117-T162 WeakPolarHBondContact CD1-OG1 3.44Å; Y158-T162 VanDerWaalsContact O-CB 3.31Å; Y158-T162 WeakPolarHBondContact O-CB 3.44Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 PolarHBondContact O-OG1 3.49Å; D159-T162 PolarHBondContact O-N 3.24Å; Y160-T162 VanDerWaalsContact C-N 3.33Å; Y160-T162 PolarHBondContact O-N 2.99Å; T162-C164 PolarHBondContact O-N 3.11Å; T162-L165 PolarHBondContact O-N 2.91Å; T162-V166 HydrophobicContact CG2-CG2 4.35Å; T162-V166 VanDerWaalsContact O-CG2 3.29Å; T162-V166 WeakPolarHBondContact O-CG2 3.44Å; T162-V166 PolarHBondContact O-N 2.99Å
163N84.6Confident84.4Confident104 Ų10453.1 Ų53.156%0.55628%0.28SS*.Hα-helixtrans-60.9-44.9-179.8-70.5-27.1000111.6D159 Y160 L165 V166 D167D159-N163 PolarHBondContact O-N 2.89Å; D159-N163 PolarHBondContact O-ND2 2.92Å; Y160-N163 PolarHBondContact O-N 3.49Å; N163-L165 VanDerWaalsContact C-N 3.31Å; N163-L165 PolarHBondContact O-N 2.78Å; N163-V166 PolarHBondContact O-N 3.31Å; N163-D167 PolarHBondContact O-N 3.02Å; N163-D167 VanDerWaalsContact O-N 3.11Å
164C86.5Confident83.9Confident36 Ų3655.6 Ų55.624%0.24329%0.286CS..Hα-helixtrans-59.9-40.3176.9-175.80000112.5Y160 T162 K168Y160-C164 WeakPolarHBondContact O-CB 3.37Å; Y160-C164 PolarHBondContact O-N 2.94Å; Y160-C164 VanDerWaalsContact O-N 3.07Å; T162-C164 PolarHBondContact O-N 3.11Å; C164-K168 VanDerWaalsContact O-CG 3.31Å; C164-K168 WeakPolarHBondContact O-CG 3.37Å; C164-K168 PolarHBondContact O-N 3.01Å; C164-K168 VanDerWaalsContact SG-CE 3.54Å
165L86.2Confident83.9Confident4 Ų458.5 Ų58.52%0.02130%0.299CS..Hα-helixtrans-72.8-37.1177.9-85.4169.2000113.2L22 L110 Q113 L114 L117 L161 T162 N163 K168 M169L22-L165 HydrophobicContact CD2-CB 4.45Å; L110-L165 HydrophobicContact CD2-CD2 4.45Å; Q113-L165 HydrophobicContact CB-CD1 4.34Å; Q113-L165 HydrophobicContact CB-CD2 3.57Å; Q113-L165 HydrophobicContact CB-CG 4.26Å; L114-L165 HydrophobicContact CD2-CD1 4.47Å; L114-L165 HydrophobicContact CD2-CD2 4.45Å; L117-L165 HydrophobicContact CB-CD1 3.66Å; L117-L165 HydrophobicContact CD1-CD1 4.39Å; L117-L165 HydrophobicContact CD2-CD1 3.7Å; L117-L165 HydrophobicContact CG-CD1 4.11Å; L161-L165 HydrophobicContact CD1-CD1 4.17Å; L161-L165 HydrophobicContact CD1-CG 4.42Å; L161-L165 HydrophobicContact CG-CD1 4.01Å; L161-L165 VanDerWaalsContact O-CB 3.31Å; L161-L165 WeakPolarHBondContact O-CB 3.32Å; L161-L165 WeakPolarHBondContact O-CG 3.5Å; L161-L165 PolarHBondContact O-N 3.36Å; T162-L165 PolarHBondContact O-N 2.91Å; N163-L165 VanDerWaalsContact C-N 3.31Å; N163-L165 PolarHBondContact O-N 2.78Å; L165-K168 PolarHBondContact O-N 3.15Å; L165-M169 WeakPolarHBondContact O-CB 3.48Å; L165-M169 PolarHBondContact O-N 2.9Å
166V80.9Confident83.7Confident33 Ų3357.5 Ų57.520%0.229%0.293CS..Hα-helixtrans-61.3-47176.1168.50000110.3L22 T162 N163 K168 M169 N170L22-V166 HydrophobicContact CD1-CG2 4.15Å; L22-V166 HydrophobicContact CD2-CG2 3.83Å; T162-V166 HydrophobicContact CG2-CG2 4.35Å; T162-V166 VanDerWaalsContact O-CG2 3.29Å; T162-V166 WeakPolarHBondContact O-CG2 3.44Å; T162-V166 PolarHBondContact O-N 2.99Å; N163-V166 PolarHBondContact O-N 3.31Å; V166-K168 PolarHBondContact O-N 3.4Å; V166-M169 PolarHBondContact O-N 2.69Å; V166-N170 WeakPolarHBondContact O-CB 3.41Å; V166-N170 VanDerWaalsContact O-CG 3.26Å; V166-N170 PolarHBondContact O-N 2.81Å; V166-N170 PolarHBondContact O-ND2 3.04Å
167D83.6Confident83.3Confident106 Ų10654 Ų5457%0.56728%0.277SS*.Hα-helixtrans-63.4-44.6178.8-70.6-21.7000112N163 M169 T171N163-D167 PolarHBondContact O-N 3.02Å; N163-D167 VanDerWaalsContact O-N 3.11Å; D167-M169 PolarHBondContact O-N 3.47Å; D167-T171 WeakPolarHBondContact O-CB 3.46Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.32Å
168K86.6Confident83Confident78 Ų7856.5 Ų56.534%0.33929%0.288SS..Hα-helixtrans-63.8-40.5175.2-73.3177.2-170.8172.30112.1L110 Q113 C164 L165 V166 T171 V172L110-K168 HydrophobicContact CD2-CB 4.01Å; L110-K168 HydrophobicContact CD2-CD 4.44Å; Q113-K168 VanDerWaalsContact NE2-NZ 3.16Å; Q113-K168 VanDerWaalsContact OE1-CD 3.31Å; C164-K168 VanDerWaalsContact O-CG 3.31Å; C164-K168 WeakPolarHBondContact O-CG 3.37Å; C164-K168 PolarHBondContact O-N 3.01Å; C164-K168 VanDerWaalsContact SG-CE 3.54Å; L165-K168 PolarHBondContact O-N 3.15Å; V166-K168 PolarHBondContact O-N 3.4Å; K168-T171 WeakPolarHBondContact O-CB 3.25Å; K168-T171 PolarHBondContact O-N 3.31Å; K168-V172 WeakPolarHBondContact O-CB 3.32Å; K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 3.27Å
169M81.5Confident82.9Confident7 Ų754.6 Ų54.63%0.03428%0.282CS..Hα-helixtrans-67-44179.8-176.4177.4179.600111.5L22 K25 T26 K29 L165 V166 D167 T171 V172 E173L22-M169 HydrophobicContact CD1-CE 4.4Å; L22-M169 HydrophobicContact CD1-SD 3.2Å; L22-M169 WeakPolarHBondContact CD1-SD 3.06Å; L22-M169 HydrophobicContact CG-SD 3.73Å; K25-M169 HydrophobicContact CB-CE 4.05Å; K25-M169 HydrophobicContact CD-CE 4.16Å; K25-M169 HydrophobicContact CG-CE 3.9Å; T26-M169 WeakPolarHBondContact OG1-CE 3.37Å; T26-M169 PolarHBondContact OG1-SD 3.35Å; K29-M169 HydrophobicContact CD-CE 4.16Å; L165-M169 WeakPolarHBondContact O-CB 3.48Å; L165-M169 PolarHBondContact O-N 2.9Å; V166-M169 PolarHBondContact O-N 2.69Å; D167-M169 PolarHBondContact O-N 3.47Å; M169-T171 VanDerWaalsContact C-N 3.26Å; M169-T171 PolarHBondContact O-N 2.81Å; M169-V172 PolarHBondContact O-N 3.47Å; M169-E173 VanDerWaalsContact O-CB 3.29Å; M169-E173 WeakPolarHBondContact O-CB 3.42Å; M169-E173 PolarHBondContact O-N 2.88Å
170N79.9Confident82.6Confident65 Ų6551.9 Ų51.935%0.34827%0.268SS..Hα-helixtrans-60-40.6175.1-71.7-23.6000111V166 E173 N174V166-N170 WeakPolarHBondContact O-CB 3.41Å; V166-N170 VanDerWaalsContact O-CG 3.26Å; V166-N170 PolarHBondContact O-N 2.81Å; V166-N170 PolarHBondContact O-ND2 3.04Å; N170-E173 PolarHBondContact O-N 3.18Å; N170-N174 VanDerWaalsContact O-CG 3.29Å; N170-N174 PolarHBondContact O-N 2.92Å; N170-N174 PolarHBondContact O-ND2 3.47Å
171T85.1Confident82.4Confident76 Ų7646.6 Ų46.647%0.46626%0.255SS..Hα-helixtrans-62.6-51.7175.4-55.10000111.1D167 K168 M169 E173 N174 E175D167-T171 WeakPolarHBondContact O-CB 3.46Å; D167-T171 PolarHBondContact O-N 3.03Å; D167-T171 PolarHBondContact O-OG1 3.32Å; K168-T171 WeakPolarHBondContact O-CB 3.25Å; K168-T171 PolarHBondContact O-N 3.31Å; M169-T171 VanDerWaalsContact C-N 3.26Å; M169-T171 PolarHBondContact O-N 2.81Å; T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 3.26Å; T171-N174 PolarHBondContact O-N 3Å; T171-E175 VanDerWaalsContact O-CG 3.29Å; T171-E175 WeakPolarHBondContact O-CG 3.47Å; T171-E175 PolarHBondContact O-N 2.93Å
172V84.6Confident82.3Confident14 Ų1449.8 Ų49.89%0.08527%0.272CS..Hα-helixtrans-63.2-34.3179.6170.90000111.4Q103 K106 Y107 L110 K168 M169 G176Q103-V172 VanDerWaalsContact NE2-CG1 3.29Å; Q103-V172 PolarHBondContact NE2-O 3.47Å; K106-V172 HydrophobicContact CB-CG1 4.31Å; K106-V172 HydrophobicContact CB-CG2 4.41Å; Y107-V172 HydrophobicContact CD1-CG1 3.95Å; Y107-V172 HydrophobicContact CD2-CG1 4.24Å; Y107-V172 HydrophobicContact CE1-CG1 3.73Å; Y107-V172 HydrophobicContact CE2-CG1 4.06Å; Y107-V172 HydrophobicContact CG-CG1 4.19Å; L110-V172 HydrophobicContact CD1-CB 4.11Å; L110-V172 HydrophobicContact CD1-CG1 4.07Å; L110-V172 HydrophobicContact CD1-CG2 3.94Å; K168-V172 WeakPolarHBondContact O-CB 3.32Å; K168-V172 WeakPolarHBondContact O-CG2 3.48Å; K168-V172 PolarHBondContact O-N 3.27Å; M169-V172 PolarHBondContact O-N 3.47Å; V172-G176 PolarHBondContact O-N 2.92Å
173E77Confident82.3Confident32 Ų3249.6 Ų49.615%0.1527%0.272CS..Hα-helixtrans-66.7-45.9175.4175.6169.5-158.700112.8K29 M169 N170 T171 E175 G176 T177K29-E173 WeakPolarHBondContact CE-OE1 3.38Å; K29-E173 IonicContact NZ-OE1 3.88Å; K29-E173 PolarHBondContact NZ-OE1 3.39Å; K29-E173 IonicContact NZ-OE2 3.42Å; K29-E173 PolarHBondContact NZ-OE2 3.33Å; M169-E173 VanDerWaalsContact O-CB 3.29Å; M169-E173 WeakPolarHBondContact O-CB 3.42Å; M169-E173 PolarHBondContact O-N 2.88Å; N170-E173 PolarHBondContact O-N 3.18Å; T171-E173 VanDerWaalsContact C-N 3.28Å; T171-E173 PolarHBondContact O-N 3.26Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.44Å; E173-G176 PolarHBondContact O-N 2.67Å; E173-G176 VanDerWaalsContact O-N 3.13Å; E173-T177 PolarHBondContact O-N 2.93Å; E173-T177 PolarHBondContact O-OG1 3.07Å
174N77.9Confident82.2Confident109 Ų10946.6 Ų46.658%0.58326%0.255SS*.Hα-helixtrans-61.3-45175.6-72.8-22.9000110.9N170 T171 G176 T177 M178N170-N174 VanDerWaalsContact O-CG 3.29Å; N170-N174 PolarHBondContact O-N 2.92Å; N170-N174 PolarHBondContact O-ND2 3.47Å; T171-N174 PolarHBondContact O-N 3Å; N174-G176 VanDerWaalsContact C-N 3.28Å; N174-G176 PolarHBondContact O-N 3.19Å; N174-T177 WeakPolarHBondContact O-CB 3.35Å; N174-T177 PolarHBondContact O-N 3.29Å; N174-M178 PolarHBondContact O-N 2.92Å; N174-M178 VanDerWaalsContact O-N 3.1Å
175E84.1Confident82.2Confident70 Ų7051.9 Ų51.933%0.32728%0.275SS..Hα-helixtrans-62.9-34.2174.1-69.1179.8142.100112.5K106 T171 E173 T177 M178 A179K106-E175 VanDerWaalsContact CD-OE2 3.25Å; K106-E175 WeakPolarHBondContact CD-OE2 3.48Å; K106-E175 WeakPolarHBondContact CE-OE2 3.5Å; K106-E175 IonicContact NZ-OE1 3.07Å; K106-E175 PolarHBondContact NZ-OE1 3.38Å; K106-E175 IonicContact NZ-OE2 2.65Å; K106-E175 PolarHBondContact NZ-OE2 3.29Å; T171-E175 VanDerWaalsContact O-CG 3.29Å; T171-E175 WeakPolarHBondContact O-CG 3.47Å; T171-E175 PolarHBondContact O-N 2.93Å; E173-E175 VanDerWaalsContact C-N 3.34Å; E173-E175 PolarHBondContact O-N 3.44Å; E175-T177 VanDerWaalsContact C-N 3.33Å; E175-M178 PolarHBondContact O-N 3.3Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 2.92Å
176G79.5Confident82.1Confident7 Ų752.9 Ų52.97%0.07228%0.281CS..Hα-helixtrans-66.8-35.9176.300000112.9Q103 V172 E173 N174 A179 C180Q103-G176 VanDerWaalsContact CD-CA 3.41Å; V172-G176 PolarHBondContact O-N 2.92Å; E173-G176 PolarHBondContact O-N 2.67Å; E173-G176 VanDerWaalsContact O-N 3.13Å; N174-G176 VanDerWaalsContact C-N 3.28Å; N174-G176 PolarHBondContact O-N 3.19Å; G176-A179 PolarHBondContact O-N 2.82Å; G176-C180 PolarHBondContact O-N 3.5Å; G176-C180 VanDerWaalsContact O-N 3.1Å; G176-C180 PolarHBondContact O-SG 3.24Å
177T77.5Confident82.2Confident30 Ų3053 Ų5318%0.18428%0.28CS..Hα-helixtrans-64.2-46.2171.8-58.90000110.6F12 E173 N174 E175 A179 C180 C181F12-T177 HydrophobicContact CD1-CG2 4.2Å; F12-T177 HydrophobicContact CE1-CG2 3.37Å; F12-T177 HydrophobicContact CZ-CG2 3.67Å; E173-T177 PolarHBondContact O-N 2.93Å; E173-T177 PolarHBondContact O-OG1 3.07Å; N174-T177 WeakPolarHBondContact O-CB 3.35Å; N174-T177 PolarHBondContact O-N 3.29Å; E175-T177 VanDerWaalsContact C-N 3.33Å; T177-A179 PolarHBondContact O-N 3.28Å; T177-C180 WeakPolarHBondContact O-CB 3.49Å; T177-C180 PolarHBondContact O-N 2.96Å; T177-C181 PolarHBondContact O-N 3.4Å
178M82.8Confident82.3Confident111 Ų11152.5 Ų52.555%0.54728%0.281SS..Hα-helixtrans-61.2-43.3175.9-67.3-57-61.700112.1N174 E175 C180 C181 D182N174-M178 PolarHBondContact O-N 2.92Å; N174-M178 VanDerWaalsContact O-N 3.1Å; E175-M178 PolarHBondContact O-N 3.3Å; M178-C180 VanDerWaalsContact C-N 3.28Å; M178-C180 PolarHBondContact O-N 3.49Å; M178-C181 CarbonylContact O-C 3.42Å; M178-C181 WeakPolarHBondContact O-CA 3.42Å; M178-C181 WeakPolarHBondContact O-CB 3.47Å; M178-C181 PolarHBondContact O-N 3.1Å; M178-D182 VanDerWaalsContact O-CG 3.29Å; M178-D182 PolarHBondContact O-N 3.24Å
179A82.7Confident82.3Confident8 Ų850.5 Ų50.57%0.06628%0.276CS..Hα-helixtrans-61-35.6176.600000112.8P99 Q103 E175 G176 T177 A183P99-A179 HydrophobicContact CB-CB 4.25Å; P99-A179 WeakPolarHBondContact CB-O 3.34Å; Q103-A179 HydrophobicContact CB-CB 4.09Å; Q103-A179 HydrophobicContact CG-CB 4.45Å; E175-A179 WeakPolarHBondContact O-CB 3.4Å; E175-A179 PolarHBondContact O-N 2.92Å; G176-A179 PolarHBondContact O-N 2.82Å; T177-A179 PolarHBondContact O-N 3.28Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.48Å
180C77.7Confident82.5Confident5 Ų550.5 Ų50.53%0.03428%0.277CS..Hα-helixtrans-67.4-41.9172.7-66.50000111.7L7 G176 T177 M178 A183 L184L7-C180 HydrophobicContact CD2-CB 4.18Å; G176-C180 PolarHBondContact O-N 3.5Å; G176-C180 VanDerWaalsContact O-N 3.1Å; G176-C180 PolarHBondContact O-SG 3.24Å; T177-C180 WeakPolarHBondContact O-CB 3.49Å; T177-C180 PolarHBondContact O-N 2.96Å; M178-C180 VanDerWaalsContact C-N 3.28Å; M178-C180 PolarHBondContact O-N 3.49Å; C180-A183 PolarHBondContact O-N 3.48Å; C180-L184 WeakPolarHBondContact O-CB 3.5Å; C180-L184 VanDerWaalsContact O-CG 3.3Å; C180-L184 WeakPolarHBondContact O-CG 3.31Å; C180-L184 PolarHBondContact O-N 3.03Å
181C82.2Confident82.6Confident57 Ų5751.2 Ų51.239%0.38528%0.275SS..Hα-helixtrans-62.1-42.8174.6-72.20000111.6T177 M178 L184 F185T177-C181 PolarHBondContact O-N 3.4Å; M178-C181 CarbonylContact O-C 3.42Å; M178-C181 WeakPolarHBondContact O-CA 3.42Å; M178-C181 WeakPolarHBondContact O-CB 3.47Å; M178-C181 PolarHBondContact O-N 3.1Å; C181-L184 PolarHBondContact O-N 3.21Å; C181-F185 WeakPolarHBondContact O-CB 3.32Å; C181-F185 PolarHBondContact O-N 2.94Å
182D84.9Confident82.6Confident81 Ų8151.6 Ų51.643%0.43327%0.271SS..Hα-helixtrans-62.9-45.5177.1-67.8-20.1000111.2P99 M178 L184 F185 V186P99-D182 HydrophobicContact CB-CB 4.19Å; P99-D182 HydrophobicContact CG-CB 4.13Å; M178-D182 VanDerWaalsContact O-CG 3.29Å; M178-D182 PolarHBondContact O-N 3.24Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 3.21Å; D182-F185 WeakPolarHBondContact O-CB 3.36Å; D182-F185 PolarHBondContact O-N 3.1Å; D182-F185 VanDerWaalsContact O-N 3.15Å; D182-V186 WeakPolarHBondContact O-CG2 3.31Å; D182-V186 PolarHBondContact O-N 3.4Å
183A82.4Confident82.6Confident8 Ų857.1 Ų57.17%0.06630%0.295CS..Hα-helixtrans-61.2-40.3175.500000112L96 P99 I100 A179 C180 L187L96-A183 HydrophobicContact CD1-CB 4.4Å; L96-A183 WeakPolarHBondContact CD1-O 3.45Å; P99-A183 HydrophobicContact CG-CB 4.46Å; I100-A183 HydrophobicContact CD1-CB 4.22Å; I100-A183 HydrophobicContact CG1-CB 4.25Å; A179-A183 WeakPolarHBondContact O-CB 3.42Å; A179-A183 PolarHBondContact O-N 3.48Å; C180-A183 PolarHBondContact O-N 3.48Å; A183-L187 WeakPolarHBondContact O-CB 3.38Å; A183-L187 PolarHBondContact O-N 3.1Å
184L82.3Confident83Confident41 Ų4157.2 Ų57.222%0.21530%0.295CS..Hα-helixtrans-66.6-38.1174.3-73.4172.7000112.3L4 L7 C180 C181 D182 L187 V188L4-L184 HydrophobicContact CD2-CD1 3.51Å; L4-L184 HydrophobicContact CD2-CD2 3.47Å; L4-L184 VanDerWaalsContact CD2-CD2 3.47Å; L4-L184 HydrophobicContact CD2-CG 4.13Å; L4-L184 HydrophobicContact CG-CD2 4.01Å; L7-L184 HydrophobicContact CD1-CD1 4.11Å; L7-L184 HydrophobicContact CD1-CD2 4.1Å; L7-L184 HydrophobicContact CD1-CG 4.17Å; C180-L184 WeakPolarHBondContact O-CB 3.5Å; C180-L184 VanDerWaalsContact O-CG 3.3Å; C180-L184 WeakPolarHBondContact O-CG 3.31Å; C180-L184 PolarHBondContact O-N 3.03Å; C181-L184 PolarHBondContact O-N 3.21Å; D182-L184 VanDerWaalsContact C-N 3.32Å; D182-L184 PolarHBondContact O-N 3.21Å; L184-L187 PolarHBondContact O-N 3.13Å; L184-V188 WeakPolarHBondContact O-CB 3.29Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.16Å; L184-V188 PolarHBondContact O-N 3.1Å
185F86.1Confident83.1Confident148 Ų14854.1 Ų54.165%0.64928%0.282SS*.Hα-helixtrans-65.2-45.1176.9-176.9-94.8000111C181 D182 L187 V188 S189C181-F185 WeakPolarHBondContact O-CB 3.32Å; C181-F185 PolarHBondContact O-N 2.94Å; D182-F185 WeakPolarHBondContact O-CB 3.36Å; D182-F185 PolarHBondContact O-N 3.1Å; D182-F185 VanDerWaalsContact O-N 3.15Å; F185-L187 VanDerWaalsContact C-N 3.35Å; F185-L187 PolarHBondContact O-N 3.33Å; F185-V188 PolarHBondContact O-N 3.08Å; F185-S189 WeakPolarHBondContact O-CB 3.47Å; F185-S189 PolarHBondContact O-N 3.07Å; F185-S189 PolarHBondContact O-OG 3.04Å
186V85.5Confident83.1Confident25 Ų2555.3 Ų55.315%0.15229%0.291CS..Hα-helixtrans-57-48.9172.2171.70000110.2L95 L96 D182 V188 S189 T190L95-V186 HydrophobicContact CB-CG1 3.64Å; L96-V186 HydrophobicContact CD1-CG1 4.48Å; D182-V186 WeakPolarHBondContact O-CG2 3.31Å; D182-V186 PolarHBondContact O-N 3.4Å; V186-V188 PolarHBondContact O-N 3.4Å; V186-S189 WeakPolarHBondContact CA-OG 3.4Å; V186-S189 PolarHBondContact O-N 2.85Å; V186-S189 PolarHBondContact O-OG 3.26Å; V186-T190 HydrophobicContact CG1-CG2 4.24Å; V186-T190 WeakPolarHBondContact O-CB 3.39Å; V186-T190 WeakPolarHBondContact O-CG2 3.47Å; V186-T190 PolarHBondContact O-N 3.27Å; V186-T190 PolarHBondContact O-OG1 3.26Å
187L82.2Confident83Confident35 Ų3559.2 Ų59.218%0.18330%0.303CS..Hα-helixtrans-57.5-52.7178.7-17168.7000112.2L43 L92 L96 A183 L184 F185 T190 Y191L43-L187 HydrophobicContact CD2-CD1 3.87Å; L43-L187 HydrophobicContact CD2-CD2 4.28Å; L92-L187 HydrophobicContact CD2-CD1 3.9Å; L96-L187 HydrophobicContact CD1-CB 3.93Å; L96-L187 HydrophobicContact CD1-CD1 4.18Å; L96-L187 HydrophobicContact CD2-CD1 4.03Å; A183-L187 WeakPolarHBondContact O-CB 3.38Å; A183-L187 PolarHBondContact O-N 3.1Å; L184-L187 PolarHBondContact O-N 3.13Å; F185-L187 VanDerWaalsContact C-N 3.35Å; F185-L187 PolarHBondContact O-N 3.33Å; L187-T190 PolarHBondContact O-OG1 3.32Å; L187-Y191 HydrophobicContact CD1-CD2 3.88Å; L187-Y191 HydrophobicContact CD1-CE2 3.54Å; L187-Y191 HydrophobicContact CG-CD2 4.02Å; L187-Y191 HydrophobicContact CG-CE2 4.08Å; L187-Y191 VanDerWaalsContact O-CD2 3.24Å; L187-Y191 WeakPolarHBondContact O-CD2 3.45Å; L187-Y191 PolarHBondContact O-N 3.14Å; L187-Y191 VanDerWaalsContact O-N 3.11Å
188V85.5Confident83.1Confident96 Ų9659 Ų5958%0.58230%0.301SS*.Hα-helixtrans-67.4-41.3-176.7172.80000111.5L184 F185 V186 K192L184-V188 WeakPolarHBondContact O-CB 3.29Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.16Å; L184-V188 PolarHBondContact O-N 3.1Å; F185-V188 PolarHBondContact O-N 3.08Å; V186-V188 PolarHBondContact O-N 3.4Å; V188-K192 VanDerWaalsContact O-CB 3.25Å; V188-K192 WeakPolarHBondContact O-CB 3.46Å; V188-K192 PolarHBondContact O-N 3.23Å
189S86.7Confident82.8Confident35 Ų3560.6 Ų60.625%0.24530%0.302CS..Hα-helixtrans-65.9-45.3-179.658.10000112F185 V186 K192 Q193F185-S189 WeakPolarHBondContact O-CB 3.47Å; F185-S189 PolarHBondContact O-N 3.07Å; F185-S189 PolarHBondContact O-OG 3.04Å; V186-S189 WeakPolarHBondContact CA-OG 3.4Å; V186-S189 PolarHBondContact O-N 2.85Å; V186-S189 PolarHBondContact O-OG 3.26Å; S189-K192 PolarHBondContact O-N 3.48Å; S189-Q193 WeakPolarHBondContact O-CG 3.42Å; S189-Q193 PolarHBondContact O-N 3.43Å
190T85.4Confident82.7Confident8 Ų864.2 Ų64.25%0.04933%0.327CS..Hα-helixtrans-62.8-46.3176.853.60000112.1T91 L92 V186 L187 K192 Q193 F194T91-T190 HydrophobicContact CG2-CG2 3.5Å; L92-T190 HydrophobicContact CD2-CG2 4.47Å; L92-T190 VanDerWaalsContact CD2-OG1 3.27Å; L92-T190 WeakPolarHBondContact CD2-OG1 3.44Å; V186-T190 HydrophobicContact CG1-CG2 4.24Å; V186-T190 WeakPolarHBondContact O-CB 3.39Å; V186-T190 WeakPolarHBondContact O-CG2 3.47Å; V186-T190 PolarHBondContact O-N 3.27Å; V186-T190 PolarHBondContact O-OG1 3.26Å; L187-T190 PolarHBondContact O-OG1 3.32Å; T190-K192 VanDerWaalsContact C-N 3.31Å; T190-K192 PolarHBondContact O-N 3.12Å; T190-Q193 PolarHBondContact O-N 3.39Å; T190-F194 WeakPolarHBondContact O-CB 3.49Å; T190-F194 PolarHBondContact O-N 3.26Å
191Y82.2Confident82.7Confident79 Ų7964.9 Ų64.931%0.3133%0.33SS..Hα-helixtrans-63.9-36.6175.7-89.4-68.2000112.8N47 L88 L92 L187 S195N47-Y191 PolarHBondContact ND2-OH 3.37Å; N47-Y191 PolarHBondContact OD1-OH 3.37Å; L88-Y191 HydrophobicContact CD1-CD1 4.48Å; L88-Y191 HydrophobicContact CD2-CE1 4.24Å; L92-Y191 HydrophobicContact CD1-CE2 4.46Å; L187-Y191 HydrophobicContact CD1-CD2 3.88Å; L187-Y191 HydrophobicContact CD1-CE2 3.54Å; L187-Y191 HydrophobicContact CG-CD2 4.02Å; L187-Y191 HydrophobicContact CG-CE2 4.08Å; L187-Y191 VanDerWaalsContact O-CD2 3.24Å; L187-Y191 WeakPolarHBondContact O-CD2 3.45Å; L187-Y191 PolarHBondContact O-N 3.14Å; L187-Y191 VanDerWaalsContact O-N 3.11Å; Y191-S195 VanDerWaalsContact O-CB 3.24Å; Y191-S195 WeakPolarHBondContact O-CB 3.43Å; Y191-S195 PolarHBondContact O-N 3.24Å
192K85.5Confident82.4Confident84 Ų8466 Ų6637%0.36533%0.331SS..Hα-helixtrans-64.5-49176.2-177.1-177.1170.8-129.10111.1V188 S189 T190 F194 S195 D196 W581V188-K192 VanDerWaalsContact O-CB 3.25Å; V188-K192 WeakPolarHBondContact O-CB 3.46Å; V188-K192 PolarHBondContact O-N 3.23Å; S189-K192 PolarHBondContact O-N 3.48Å; T190-K192 VanDerWaalsContact C-N 3.31Å; T190-K192 PolarHBondContact O-N 3.12Å; K192-F194 VanDerWaalsContact C-N 3.29Å; K192-F194 PolarHBondContact O-N 3.03Å; K192-S195 WeakPolarHBondContact O-CB 3.4Å; K192-S195 PolarHBondContact O-N 3.27Å; K192-S195 VanDerWaalsContact O-N 3.16Å; K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.72Å; K192-W581 HydrophobicContact CD-CZ2 4.47Å
193Q84.9Confident82.1Confident130 Ų13066.8 Ų66.861%0.60734%0.335SS*.Hα-helixtrans-57.9-44.1176.8-73.3175.3-1.700111.7S189 T190 D196 R197S189-Q193 WeakPolarHBondContact O-CG 3.42Å; S189-Q193 PolarHBondContact O-N 3.43Å; T190-Q193 PolarHBondContact O-N 3.39Å; Q193-D196 PolarHBondContact O-N 2.86Å; Q193-R197 WeakPolarHBondContact O-CB 3.31Å; Q193-R197 PolarHBondContact O-N 3.15Å; Q193-R197 VanDerWaalsContact O-N 3.11Å
194F84.4Confident81.8Confident34 Ų3471 Ų7115%0.14935%0.35CS..Hα-helixtrans-62.2-45.2175.1171.9-100.1000112.3A84 H85 L88 T190 K192 R197 I198A84-F194 HydrophobicContact CB-CD2 4.46Å; A84-F194 HydrophobicContact CB-CE2 4.44Å; A84-F194 WeakPolarHBondContact O-CD2 3.46Å; H85-F194 AromaticContact CE1-CE2 3.86Å; H85-F194 AromaticContact CE1-CZ 3.31Å; H85-F194 WeakPolarHBondContact CE1-CZ 3.09Å; H85-F194 AromaticContact CG-CE2 3.9Å; H85-F194 AromaticContact ND1-CE2 3.73Å; H85-F194 AromaticContact ND1-CZ 3.6Å; H85-F194 AromaticContact NE2-CZ 3.67Å; L88-F194 HydrophobicContact CB-CB 4.44Å; L88-F194 HydrophobicContact CB-CD2 3.77Å; L88-F194 HydrophobicContact CB-CE2 4.29Å; L88-F194 HydrophobicContact CB-CG 4.21Å; L88-F194 HydrophobicContact CD1-CB 3.99Å; L88-F194 HydrophobicContact CD1-CG 4.25Å; L88-F194 HydrophobicContact CD2-CB 4.39Å; L88-F194 HydrophobicContact CD2-CD1 3.86Å; L88-F194 HydrophobicContact CD2-CD2 3.83Å; L88-F194 HydrophobicContact CD2-CE1 4.01Å; L88-F194 HydrophobicContact CD2-CE2 3.97Å; L88-F194 HydrophobicContact CD2-CG 3.75Å; L88-F194 HydrophobicContact CD2-CZ 4.04Å; L88-F194 HydrophobicContact CG-CB 4.49Å; L88-F194 HydrophobicContact CG-CD2 4.27Å; L88-F194 HydrophobicContact CG-CG 4.28Å; T190-F194 WeakPolarHBondContact O-CB 3.49Å; T190-F194 PolarHBondContact O-N 3.26Å; K192-F194 VanDerWaalsContact C-N 3.29Å; K192-F194 PolarHBondContact O-N 3.03Å; F194-R197 PolarHBondContact O-N 3.49Å; F194-I198 HydrophobicContact CD1-CG1 4.46Å; F194-I198 HydrophobicContact CD2-CD1 4.39Å; F194-I198 HydrophobicContact CD2-CG1 4.14Å; F194-I198 HydrophobicContact CE1-CD1 3.7Å; F194-I198 HydrophobicContact CE1-CG1 4.03Å; F194-I198 HydrophobicContact CE2-CD1 3.46Å; F194-I198 VanDerWaalsContact CE2-CD1 3.46Å; F194-I198 HydrophobicContact CE2-CG1 3.67Å; F194-I198 HydrophobicContact CZ-CD1 3.05Å; F194-I198 HydrophobicContact CZ-CG1 3.62Å; F194-I198 WeakPolarHBondContact O-CB 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.2Å; F194-I198 PolarHBondContact O-N 3.29Å
195S81.7Confident81.4Confident44 Ų4470.7 Ų70.731%0.30835%0.349SS..Hα-helixtrans-61.8-46178.1-170.60000111.7Y191 K192 R197 I198 Y199Y191-S195 VanDerWaalsContact O-CB 3.24Å; Y191-S195 WeakPolarHBondContact O-CB 3.43Å; Y191-S195 PolarHBondContact O-N 3.24Å; K192-S195 WeakPolarHBondContact O-CB 3.4Å; K192-S195 PolarHBondContact O-N 3.27Å; K192-S195 VanDerWaalsContact O-N 3.16Å; S195-R197 VanDerWaalsContact C-N 3.26Å; S195-R197 PolarHBondContact O-N 3.32Å; S195-I198 PolarHBondContact O-N 3.5Å; S195-Y199 WeakPolarHBondContact O-CB 3.38Å; S195-Y199 WeakPolarHBondContact O-CD2 3.45Å; S195-Y199 PolarHBondContact O-N 3.31Å; S195-Y199 WeakPolarHBondContact OG-CD2 3.17Å; S195-Y199 WeakPolarHBondContact OG-CE2 3.46Å
196D82Confident80.9Confident95 Ų9569.9 Ų69.951%0.50835%0.345SS..Hα-helixtrans-59.9-39.5178.8-69.4-20.9000110.5K192 Q193 S200K192-D196 VanDerWaalsContact O-CG 3.28Å; K192-D196 PolarHBondContact O-N 2.72Å; Q193-D196 PolarHBondContact O-N 2.86Å; D196-S200 PolarHBondContact O-N 3.33Å
197R79.4Confident80.5Confident89 Ų8973.9 Ų73.934%0.33636%0.362SS..Hα-helixtrans-71-46.7176.8-171.4168.5177-177.3-7.7112.9S83 A84 E87 Q193 F194 S195 Y199 S200 I201S83-R197 PolarHBondContact OG-NH2 2.97Å; A84-R197 HydrophobicContact CB-CG 4.21Å; E87-R197 IonicContact OE2-CZ 3.8Å; E87-R197 IonicContact OE2-NH1 2.64Å; E87-R197 PolarHBondContact OE2-NH1 2.98Å; Q193-R197 WeakPolarHBondContact O-CB 3.31Å; Q193-R197 PolarHBondContact O-N 3.15Å; Q193-R197 VanDerWaalsContact O-N 3.11Å; F194-R197 PolarHBondContact O-N 3.49Å; S195-R197 VanDerWaalsContact C-N 3.26Å; S195-R197 PolarHBondContact O-N 3.32Å; R197-Y199 PolarHBondContact O-N 2.96Å; R197-S200 WeakPolarHBondContact O-CB 3.3Å; R197-S200 PolarHBondContact O-N 3.38Å; R197-I201 HydrophobicContact CG-CD1 4.08Å; R197-I201 WeakPolarHBondContact O-CG1 3.33Å; R197-I201 PolarHBondContact O-N 2.88Å; R197-I201 VanDerWaalsContact O-N 3.14Å
198I79.4Confident79.9Confident25 Ų2573.5 Ų73.513%0.12836%0.36CS..Hα-helixtrans-62.9-41.8178.7-76-138.7000111.7L81 F194 S195 S200 I201 L202L81-I198 HydrophobicContact CD1-CD1 3.45Å; L81-I198 VanDerWaalsContact CD1-CD1 3.45Å; L81-I198 HydrophobicContact CD1-CG1 4Å; F194-I198 HydrophobicContact CD1-CG1 4.46Å; F194-I198 HydrophobicContact CD2-CD1 4.39Å; F194-I198 HydrophobicContact CD2-CG1 4.14Å; F194-I198 HydrophobicContact CE1-CD1 3.7Å; F194-I198 HydrophobicContact CE1-CG1 4.03Å; F194-I198 HydrophobicContact CE2-CD1 3.46Å; F194-I198 VanDerWaalsContact CE2-CD1 3.46Å; F194-I198 HydrophobicContact CE2-CG1 3.67Å; F194-I198 HydrophobicContact CZ-CD1 3.05Å; F194-I198 HydrophobicContact CZ-CG1 3.62Å; F194-I198 WeakPolarHBondContact O-CB 3.29Å; F194-I198 WeakPolarHBondContact O-CG1 3.2Å; F194-I198 PolarHBondContact O-N 3.29Å; S195-I198 PolarHBondContact O-N 3.5Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.39Å; I198-I201 PolarHBondContact O-N 3.22Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I198-L202 HydrophobicContact CG2-CD1 3.51Å; I198-L202 HydrophobicContact CG2-CG 3.93Å; I198-L202 WeakPolarHBondContact O-CB 3.5Å; I198-L202 WeakPolarHBondContact O-CG 2.94Å; I198-L202 PolarHBondContact O-N 2.81Å
199Y76.1Confident79.2Confident146 Ų14672.5 Ų72.557%0.57335%0.353SS*.Hα-helixtrans-59.1-40.2177.6-84.1-59.7000111.8S195 R197 N203S195-Y199 WeakPolarHBondContact O-CB 3.38Å; S195-Y199 WeakPolarHBondContact O-CD2 3.45Å; S195-Y199 PolarHBondContact O-N 3.31Å; S195-Y199 WeakPolarHBondContact OG-CD2 3.17Å; S195-Y199 WeakPolarHBondContact OG-CE2 3.46Å; R197-Y199 PolarHBondContact O-N 2.96Å; Y199-N203 WeakPolarHBondContact O-CB 3.42Å; Y199-N203 VanDerWaalsContact O-CG 3.23Å; Y199-N203 PolarHBondContact O-N 3.29Å; Y199-N203 PolarHBondContact O-ND2 2.95Å
200S79.3Confident78.6Confident83 Ų8374.2 Ų74.258%0.5836%0.36SS*.Hα-helixtrans-63.7-43.7175.7-168.20000112.1D196 R197 I198 Y204D196-S200 PolarHBondContact O-N 3.33Å; R197-S200 WeakPolarHBondContact O-CB 3.3Å; R197-S200 PolarHBondContact O-N 3.38Å; I198-S200 VanDerWaalsContact C-N 3.26Å; I198-S200 PolarHBondContact O-N 3.39Å; S200-Y204 PolarHBondContact O-N 3.34Å
201I77.9Confident78.1Confident19 Ų1978.6 Ų78.610%0.09738%0.378CS..Hα-helixtrans-66.8-44.5-180-63.9166.3000110.8D80 L81 A84 R197 I198 Y204 L205D80-I201 HydrophobicContact CB-CD1 4.14Å; L81-I201 HydrophobicContact CB-CG2 4.38Å; A84-I201 HydrophobicContact CB-CD1 4.49Å; R197-I201 HydrophobicContact CG-CD1 4.08Å; R197-I201 WeakPolarHBondContact O-CG1 3.33Å; R197-I201 PolarHBondContact O-N 2.88Å; R197-I201 VanDerWaalsContact O-N 3.14Å; I198-I201 PolarHBondContact O-N 3.22Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I201-Y204 PolarHBondContact O-N 3.43Å; I201-L205 PolarHBondContact O-N 3.01Å
202L76.3Confident77.6Confident80 Ų8077.8 Ų77.842%0.41938%0.379SS..Hα-helixtrans-66.6-40.1179.7-72.7176.9000112.4I198 Y204 L205 F206I198-L202 HydrophobicContact CG2-CD1 3.51Å; I198-L202 HydrophobicContact CG2-CG 3.93Å; I198-L202 WeakPolarHBondContact O-CB 3.5Å; I198-L202 WeakPolarHBondContact O-CG 2.94Å; I198-L202 PolarHBondContact O-N 2.81Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 3.41Å; L202-L205 PolarHBondContact O-N 2.85Å; L202-F206 WeakPolarHBondContact O-CB 3.47Å; L202-F206 PolarHBondContact O-N 3.03Å
203N78.9Confident77Confident98 Ų9880.3 Ų80.352%0.52439%0.392SS..Hα-helixtrans-61.9-42.9175.3-77.3-14.8000111.1Y199 F206 E207Y199-N203 WeakPolarHBondContact O-CB 3.42Å; Y199-N203 VanDerWaalsContact O-CG 3.23Å; Y199-N203 PolarHBondContact O-N 3.29Å; Y199-N203 PolarHBondContact O-ND2 2.95Å; N203-F206 PolarHBondContact O-N 2.89Å; N203-E207 WeakPolarHBondContact O-CG 3.23Å; N203-E207 PolarHBondContact O-N 3.28Å
204Y76.7Confident76.5Confident96 Ų9679.7 Ų79.738%0.37639%0.389SS..Hα-helixtrans-63.9-44.6175.6-174.6-86.9000111.8L77 S200 I201 L202 F206 E207 E208L77-Y204 HydrophobicContact CD1-CD1 3.52Å; L77-Y204 HydrophobicContact CD1-CE1 3.67Å; L77-Y204 HydrophobicContact CD2-CD1 3.22Å; L77-Y204 HydrophobicContact CD2-CE1 3.63Å; L77-Y204 HydrophobicContact CD2-CG 4.1Å; L77-Y204 HydrophobicContact CG-CD1 3.87Å; L77-Y204 HydrophobicContact CG-CE1 3.97Å; S200-Y204 PolarHBondContact O-N 3.34Å; I201-Y204 PolarHBondContact O-N 3.43Å; L202-Y204 VanDerWaalsContact C-N 3.32Å; L202-Y204 PolarHBondContact O-N 3.41Å; Y204-F206 VanDerWaalsContact C-N 3.28Å; Y204-F206 PolarHBondContact O-N 3.36Å; Y204-E207 PolarHBondContact O-N 3.05Å; Y204-E208 HydrophobicContact CD1-CG 3.87Å; Y204-E208 HydrophobicContact CE1-CG 3.45Å; Y204-E208 VanDerWaalsContact CE1-CG 3.45Å; Y204-E208 WeakPolarHBondContact O-CG 3.39Å; Y204-E208 PolarHBondContact O-N 3.13Å
205L74Confident76Confident35 Ų3580.7 Ų80.718%0.18340%0.399CS..Hα-helixtrans-58.9-41.7175.4-177.965.9000111.5L77 I201 L202 E208 V209L77-L205 HydrophobicContact CD1-CD1 4.05Å; I201-L205 PolarHBondContact O-N 3.01Å; L202-L205 PolarHBondContact O-N 2.85Å; L205-E208 PolarHBondContact O-N 3.33Å; L205-V209 HydrophobicContact CD1-CG2 4.41Å; L205-V209 HydrophobicContact CG-CG2 4.48Å; L205-V209 WeakPolarHBondContact O-CB 3.44Å; L205-V209 VanDerWaalsContact O-CG2 3.25Å; L205-V209 WeakPolarHBondContact O-CG2 3.4Å; L205-V209 PolarHBondContact O-N 3.5Å
206F75Confident75.3Confident132 Ų13281 Ų8158%0.57941%0.405SS*.Hα-helixtrans-63.7-43177.1-174.3-104.1000111.9L202 N203 Y204 V209 N210L202-F206 WeakPolarHBondContact O-CB 3.47Å; L202-F206 PolarHBondContact O-N 3.03Å; N203-F206 PolarHBondContact O-N 2.89Å; Y204-F206 VanDerWaalsContact C-N 3.28Å; Y204-F206 PolarHBondContact O-N 3.36Å; F206-V209 PolarHBondContact O-N 3.28Å; F206-N210 VanDerWaalsContact CD1-ND2 3.27Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.43Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.46Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.46Å; F206-N210 WeakPolarHBondContact O-CB 3.42Å; F206-N210 VanDerWaalsContact O-CG 3.22Å; F206-N210 PolarHBondContact O-N 2.82Å; F206-N210 PolarHBondContact O-ND2 3.45Å; F206-N210 VanDerWaalsContact O-ND2 3.12Å
207E76.5Confident74.7Confident108 Ų10878.5 Ų78.551%0.50540%0.397SS..Hα-helixtrans-61.8-43.9174.2-74.7-177.6-173.100112.3N203 Y204 N210 K211N203-E207 WeakPolarHBondContact O-CG 3.23Å; N203-E207 PolarHBondContact O-N 3.28Å; Y204-E207 PolarHBondContact O-N 3.05Å; E207-N210 PolarHBondContact O-N 2.95Å; E207-K211 WeakPolarHBondContact O-CG 3.22Å; E207-K211 PolarHBondContact O-N 3.32Å
208E70.7Confident74.3Confident28 Ų2881.1 Ų81.113%0.13141%0.407CS..Hα-helixtrans-66.7-39.7178.2-70.7-55.412400112.4Y204 L205 N210 K211 L212Y204-E208 HydrophobicContact CD1-CG 3.87Å; Y204-E208 HydrophobicContact CE1-CG 3.45Å; Y204-E208 VanDerWaalsContact CE1-CG 3.45Å; Y204-E208 WeakPolarHBondContact O-CG 3.39Å; Y204-E208 PolarHBondContact O-N 3.13Å; L205-E208 PolarHBondContact O-N 3.33Å; E208-N210 VanDerWaalsContact C-N 3.34Å; E208-K211 PolarHBondContact O-N 3.12Å; E208-K211 IonicContact OE1-NZ 2.69Å; E208-K211 PolarHBondContact OE1-NZ 3.47Å; E208-L212 WeakPolarHBondContact O-CB 3.34Å; E208-L212 PolarHBondContact O-N 3.49Å
209V70.4Confident73.8Confident74 Ų7486.7 Ų86.745%0.44843%0.433SS..Hα-helixtrans-63.8-40.2173.71710000111L205 F206 L212 H213L205-V209 HydrophobicContact CD1-CG2 4.41Å; L205-V209 HydrophobicContact CG-CG2 4.48Å; L205-V209 WeakPolarHBondContact O-CB 3.44Å; L205-V209 VanDerWaalsContact O-CG2 3.25Å; L205-V209 WeakPolarHBondContact O-CG2 3.4Å; L205-V209 PolarHBondContact O-N 3.5Å; F206-V209 PolarHBondContact O-N 3.28Å; V209-L212 PolarHBondContact O-N 3.03Å; V209-H213 WeakPolarHBondContact O-CB 3.31Å; V209-H213 PolarHBondContact O-N 3.17Å
210N74.3Confident73.4Confident72 Ų7285.7 Ų85.739%0.38544%0.437SS..Hα-helixtrans-64.8-41.7175.7-73.5-30.5000112.1F206 E207 E208 L212 H213 E214F206-N210 VanDerWaalsContact CD1-ND2 3.27Å; F206-N210 WeakPolarHBondContact CD1-ND2 3.43Å; F206-N210 WeakPolarHBondContact CE1-ND2 3.46Å; F206-N210 WeakPolarHBondContact CZ-ND2 3.46Å; F206-N210 WeakPolarHBondContact O-CB 3.42Å; F206-N210 VanDerWaalsContact O-CG 3.22Å; F206-N210 PolarHBondContact O-N 2.82Å; F206-N210 PolarHBondContact O-ND2 3.45Å; F206-N210 VanDerWaalsContact O-ND2 3.12Å; E207-N210 PolarHBondContact O-N 2.95Å; E208-N210 VanDerWaalsContact C-N 3.34Å; N210-L212 VanDerWaalsContact C-N 3.32Å; N210-L212 PolarHBondContact O-N 3.45Å; N210-H213 PolarHBondContact O-N 2.99Å; N210-E214 WeakPolarHBondContact O-CB 3.23Å; N210-E214 PolarHBondContact O-N 3.43Å
211K75.4Confident72.9Confident99 Ų9986.8 Ų86.843%0.4344%0.436SS..Hα-helixtrans-60.9-42.2173.9-71.7171.7-167.1167.10111.3E207 E208 E214 C215E207-K211 WeakPolarHBondContact O-CG 3.22Å; E207-K211 PolarHBondContact O-N 3.32Å; E208-K211 PolarHBondContact O-N 3.12Å; E208-K211 IonicContact OE1-NZ 2.69Å; E208-K211 PolarHBondContact OE1-NZ 3.47Å; K211-E214 PolarHBondContact O-N 3.39Å; K211-C215 WeakPolarHBondContact O-CB 3.32Å; K211-C215 PolarHBondContact O-N 3.05Å; K211-C215 PolarHBondContact O-SG 3.05Å
212L71.4Confident72.6Confident62 Ų6291.4 Ų91.433%0.32546%0.459SS..Hα-helixtrans-64.1-43.2177.1-174.764000111.3T69 E208 V209 N210 C215 A216T69-L212 HydrophobicContact CG2-CD1 4.34Å; E208-L212 WeakPolarHBondContact O-CB 3.34Å; E208-L212 PolarHBondContact O-N 3.49Å; V209-L212 PolarHBondContact O-N 3.03Å; N210-L212 VanDerWaalsContact C-N 3.32Å; N210-L212 PolarHBondContact O-N 3.45Å; L212-C215 PolarHBondContact O-N 3.01Å; L212-A216 WeakPolarHBondContact O-CB 3.35Å; L212-A216 PolarHBondContact O-N 3.19Å
213H73.2Confident72.2Confident137 Ų13791.3 Ų91.363%0.63446%0.464SS*.Hα-helixtrans-61-44.5175.4-17570.8000111.9V209 N210 C215 A216 A217V209-H213 WeakPolarHBondContact O-CB 3.31Å; V209-H213 PolarHBondContact O-N 3.17Å; N210-H213 PolarHBondContact O-N 2.99Å; H213-C215 PolarHBondContact O-N 3.11Å; H213-A216 PolarHBondContact O-N 3.46Å; H213-A217 WeakPolarHBondContact O-CB 3.09Å; H213-A217 PolarHBondContact O-N 2.96Å
214E74.4Confident71.6Confident117 Ų11793.4 Ų93.455%0.54747%0.466SS..Hα-helixtrans-65.3-37.6176.5-170.9-178.1176.300112.3N210 K211 R218N210-E214 WeakPolarHBondContact O-CB 3.23Å; N210-E214 PolarHBondContact O-N 3.43Å; K211-E214 PolarHBondContact O-N 3.39Å; E214-R218 WeakPolarHBondContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 PolarHBondContact O-NE 3.44Å
215C72.9Confident71.2Confident55 Ų5591.4 Ų91.437%0.37247%0.469SS..Hα-helixtrans-64-47.3173.7-68.20000111.6K211 L212 H213 A217 R218 E219K211-C215 WeakPolarHBondContact O-CB 3.32Å; K211-C215 PolarHBondContact O-N 3.05Å; K211-C215 PolarHBondContact O-SG 3.05Å; L212-C215 PolarHBondContact O-N 3.01Å; H213-C215 PolarHBondContact O-N 3.11Å; C215-A217 VanDerWaalsContact C-N 3.35Å; C215-A217 PolarHBondContact O-N 3.41Å; C215-R218 PolarHBondContact O-N 3Å; C215-R218 PolarHBondContact SG-NH2 3.25Å; C215-E219 WeakPolarHBondContact O-CB 3.14Å; C215-E219 PolarHBondContact O-N 3.35Å
216A67.4Low71.2Confident52 Ų5296.4 Ų96.443%0.4349%0.49SS..Hα-helixtrans-62.7-41.2178.100000111.8L212 H213 E219 L220L212-A216 WeakPolarHBondContact O-CB 3.35Å; L212-A216 PolarHBondContact O-N 3.19Å; H213-A216 PolarHBondContact O-N 3.46Å; A216-E219 PolarHBondContact O-N 3.25Å; A216-L220 WeakPolarHBondContact O-CB 3.22Å; A216-L220 PolarHBondContact O-N 3.15Å
217A69.3Low70.9Confident41 Ų4192.4 Ų92.434%0.33948%0.478SS..Hα-helixtrans-63.3-41.8174.800000112H213 C215 N221H213-A217 WeakPolarHBondContact O-CB 3.09Å; H213-A217 PolarHBondContact O-N 2.96Å; C215-A217 VanDerWaalsContact C-N 3.35Å; C215-A217 PolarHBondContact O-N 3.41Å; A217-N221 WeakPolarHBondContact O-CB 3.38Å; A217-N221 VanDerWaalsContact O-CG 3.3Å; A217-N221 PolarHBondContact O-N 3.03Å; A217-N221 PolarHBondContact O-ND2 3.41Å
218R71.2Confident70.6Confident144 Ų14491.2 Ų91.254%0.54348%0.475SS..Hα-helixtrans-65-41.2174.6-78.4-174-69.6137.7-4.3112.4E214 C215 N221 M222E214-R218 WeakPolarHBondContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CG 3.32Å; E214-R218 PolarHBondContact O-N 3.19Å; E214-R218 PolarHBondContact O-NE 3.44Å; C215-R218 PolarHBondContact O-N 3Å; C215-R218 PolarHBondContact SG-NH2 3.25Å; R218-N221 PolarHBondContact O-N 3.41Å; R218-M222 VanDerWaalsContact O-CB 3.32Å; R218-M222 WeakPolarHBondContact O-CB 3.37Å; R218-M222 PolarHBondContact O-N 3.09Å
219E68.7Low70.8Confident142 Ų14296.3 Ų96.366%0.66450%0.496SS*.Hα-helixtrans-66.7-41.7178.3-171.3169.2-164.700111.7C215 A216 M222 S223C215-E219 WeakPolarHBondContact O-CB 3.14Å; C215-E219 PolarHBondContact O-N 3.35Å; A216-E219 PolarHBondContact O-N 3.25Å; E219-M222 PolarHBondContact O-N 3.48Å; E219-S223 VanDerWaalsContact O-CB 3.31Å; E219-S223 WeakPolarHBondContact O-CB 3.41Å; E219-S223 PolarHBondContact O-N 3.5Å
220L68.1Low71Confident126 Ų12696.4 Ų96.466%0.6650%0.501SS*.Hα-helixtrans-60.5-47.9173.1-167101.9000111.2A216 M222 S223 Y224A216-L220 WeakPolarHBondContact O-CB 3.22Å; A216-L220 PolarHBondContact O-N 3.15Å; L220-M222 VanDerWaalsContact C-N 3.32Å; L220-M222 PolarHBondContact O-N 3.5Å; L220-S223 PolarHBondContact O-N 3.11Å; L220-Y224 WeakPolarHBondContact O-CB 3.36Å; L220-Y224 PolarHBondContact O-N 2.9Å
221N68.9Low70.9Confident106 Ų10698 Ų9857%0.56751%0.508SS*.Hα-helixtrans-61.1-40.4176.8-78.8-19.4000112A217 R218 Y224 A225A217-N221 WeakPolarHBondContact O-CB 3.38Å; A217-N221 VanDerWaalsContact O-CG 3.3Å; A217-N221 PolarHBondContact O-N 3.03Å; A217-N221 PolarHBondContact O-ND2 3.41Å; R218-N221 PolarHBondContact O-N 3.41Å; N221-Y224 PolarHBondContact O-N 3.19Å; N221-A225 WeakPolarHBondContact O-CB 3.48Å; N221-A225 PolarHBondContact O-N 3.46Å
222M70.4Confident70.7Confident116 Ų11698.4 Ų98.457%0.57151%0.511SS*.Hα-helixtrans-72.3-35.6179.1-163.5156.171.200112R218 E219 L220 K226R218-M222 VanDerWaalsContact O-CB 3.32Å; R218-M222 WeakPolarHBondContact O-CB 3.37Å; R218-M222 PolarHBondContact O-N 3.09Å; E219-M222 PolarHBondContact O-N 3.48Å; L220-M222 VanDerWaalsContact C-N 3.32Å; L220-M222 PolarHBondContact O-N 3.5Å; M222-K226 WeakPolarHBondContact O-CB 3.33Å; M222-K226 VanDerWaalsContact O-CG 3.27Å; M222-K226 WeakPolarHBondContact O-CG 3.26Å; M222-K226 PolarHBondContact O-N 2.93Å
223S68.1Low70.9Confident77 Ų7799.3 Ų99.354%0.53852%0.516SS..Hα-helixtrans-64.3-45.4171.8-172.90000111.2E219 L220 K226 S227E219-S223 VanDerWaalsContact O-CB 3.31Å; E219-S223 WeakPolarHBondContact O-CB 3.41Å; E219-S223 PolarHBondContact O-N 3.5Å; L220-S223 PolarHBondContact O-N 3.11Å; S223-K226 PolarHBondContact O-N 3.2Å; S223-S227 PolarHBondContact O-N 2.62Å
224Y66.9Low70.7Confident143 Ų14395.2 Ų95.256%0.56151%0.506SS*.Hα-helixtrans-61-47175.2-174.4-107.4000111.6L220 N221 K226 S227 L228L220-Y224 WeakPolarHBondContact O-CB 3.36Å; L220-Y224 PolarHBondContact O-N 2.9Å; N221-Y224 PolarHBondContact O-N 3.19Å; Y224-K226 PolarHBondContact O-N 3.45Å; Y224-S227 PolarHBondContact O-N 2.63Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.41Å; Y224-L228 HydrophobicContact CD1-CD1 3.79Å; Y224-L228 HydrophobicContact CD1-CG 4.41Å; Y224-L228 HydrophobicContact CE1-CD1 3.33Å; Y224-L228 HydrophobicContact CE1-CG 4.04Å; Y224-L228 PolarHBondContact O-N 2.8Å
225A67.6Low70.4Confident54 Ų5492.9 Ų92.945%0.44650%0.5SS..Hα-helixtrans-61.1-40.3175.800000112.8N221 L228 K229N221-A225 WeakPolarHBondContact O-CB 3.48Å; N221-A225 PolarHBondContact O-N 3.46Å; A225-L228 PolarHBondContact O-N 3.27Å; A225-K229 WeakPolarHBondContact O-CB 3.42Å; A225-K229 PolarHBondContact O-N 3.47Å
226K75.2Confident70.1Confident140 Ų14094.8 Ų94.861%0.60950%0.504SS*.Hα-helixtrans-63.1-40.8173.3-77174.1-178.8179.10111.7M222 S223 Y224 K229 S230M222-K226 WeakPolarHBondContact O-CB 3.33Å; M222-K226 VanDerWaalsContact O-CG 3.27Å; M222-K226 WeakPolarHBondContact O-CG 3.26Å; M222-K226 PolarHBondContact O-N 2.93Å; S223-K226 PolarHBondContact O-N 3.2Å; Y224-K226 PolarHBondContact O-N 3.45Å; K226-K229 PolarHBondContact O-N 2.84Å; K226-S230 WeakPolarHBondContact O-CB 3.45Å; K226-S230 PolarHBondContact O-N 3.32Å
227S68Low69.8Low48 Ų4896.2 Ų96.234%0.33651%0.507SS..Hα-helixtrans-66-43.8177.975.90000112S223 Y224 K229 S230 I231S223-S227 PolarHBondContact O-N 2.62Å; Y224-S227 PolarHBondContact O-N 2.63Å; Y224-S227 VanDerWaalsContact O-N 3.13Å; Y224-S227 PolarHBondContact O-OG 3.41Å; S227-K229 PolarHBondContact O-N 2.79Å; S227-S230 PolarHBondContact O-N 3.16Å; S227-I231 WeakPolarHBondContact O-CG1 3.37Å; S227-I231 PolarHBondContact O-N 3.37Å
228L69.5Low69.5Low83 Ų8398.5 Ų98.544%0.43552%0.517SS..Hα-helixtrans-60.5-45.3174.7-78.9174.7000111.5Y224 A225 S230 I231 E232Y224-L228 HydrophobicContact CD1-CD1 3.79Å; Y224-L228 HydrophobicContact CD1-CG 4.41Å; Y224-L228 HydrophobicContact CE1-CD1 3.33Å; Y224-L228 HydrophobicContact CE1-CG 4.04Å; Y224-L228 PolarHBondContact O-N 2.8Å; A225-L228 PolarHBondContact O-N 3.27Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.3Å; L228-I231 PolarHBondContact O-N 2.98Å; L228-E232 WeakPolarHBondContact O-CB 3.47Å; L228-E232 PolarHBondContact O-N 3.07Å
229K76.5Confident69.1Low134 Ų13498.9 Ų98.958%0.58352%0.522SS*.Hα-helixtrans-61.9-41.2176.7-171.8171.4-177175.20112.2A225 K226 S227 I231 E232 D233A225-K229 WeakPolarHBondContact O-CB 3.42Å; A225-K229 PolarHBondContact O-N 3.47Å; K226-K229 PolarHBondContact O-N 2.84Å; S227-K229 PolarHBondContact O-N 2.79Å; K229-I231 VanDerWaalsContact C-N 3.33Å; K229-I231 PolarHBondContact O-N 3.48Å; K229-E232 PolarHBondContact O-N 3.47Å; K229-D233 WeakPolarHBondContact O-CB 3.34Å; K229-D233 VanDerWaalsContact O-CG 3.32Å; K229-D233 PolarHBondContact O-N 3.45Å
230S73.6Confident68.4Low77 Ų77101.2 Ų101.254%0.53853%0.525SS..Hα-helixtrans-63.6-37.3175.5-176.70000112.6K226 S227 L228 A234K226-S230 WeakPolarHBondContact O-CB 3.45Å; K226-S230 PolarHBondContact O-N 3.32Å; S227-S230 PolarHBondContact O-N 3.16Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-S230 PolarHBondContact O-N 3.3Å; S230-A234 WeakPolarHBondContact O-CB 3.42Å; S230-A234 PolarHBondContact O-N 3.37Å; S230-A234 VanDerWaalsContact O-N 3.1Å
231I71.5Confident68Low104 Ų104101.9 Ų101.953%0.53352%0.523SS..Hα-helixtrans-69.3-44175.5-67.2165.1000109.7S227 L228 K229 A234 T235S227-I231 WeakPolarHBondContact O-CG1 3.37Å; S227-I231 PolarHBondContact O-N 3.37Å; L228-I231 PolarHBondContact O-N 2.98Å; K229-I231 VanDerWaalsContact C-N 3.33Å; K229-I231 PolarHBondContact O-N 3.48Å; I231-A234 PolarHBondContact O-N 3.21Å; I231-T235 HydrophobicContact CG2-CG2 4.36Å; I231-T235 WeakPolarHBondContact O-CG2 3.42Å; I231-T235 PolarHBondContact O-N 3.01Å; I231-T235 PolarHBondContact O-OG1 2.74Å
232E72.2Confident67.3Low109 Ų10999.1 Ų99.151%0.50952%0.515SS..Hα-helixtrans-58.7-50.4176.9-170.5176.8-17700111.2L228 K229 A234 T235 Q236L228-E232 WeakPolarHBondContact O-CB 3.47Å; L228-E232 PolarHBondContact O-N 3.07Å; K229-E232 PolarHBondContact O-N 3.47Å; E232-A234 VanDerWaalsContact C-N 3.32Å; E232-A234 PolarHBondContact O-N 2.95Å; E232-T235 PolarHBondContact O-N 3.1Å; E232-T235 VanDerWaalsContact O-N 3.15Å; E232-T235 PolarHBondContact O-OG1 2.89Å; E232-Q236 WeakPolarHBondContact O-CG 3.38Å; E232-Q236 PolarHBondContact O-N 3.41Å
233D75.6Confident66.7Low80 Ų8097.2 Ų97.243%0.42851%0.512SS..Hα-helixtrans-58.2-42.5176.5-71.4-22.4000111.4K229 Q236 V237K229-D233 WeakPolarHBondContact O-CB 3.34Å; K229-D233 VanDerWaalsContact O-CG 3.32Å; K229-D233 PolarHBondContact O-N 3.45Å; D233-Q236 PolarHBondContact O-N 3.29Å; D233-V237 VanDerWaalsContact O-CG2 3.31Å; D233-V237 WeakPolarHBondContact O-CG2 3.38Å; D233-V237 PolarHBondContact O-N 2.89Å
234A68.4Low66Low51 Ų5196.7 Ų96.742%0.42151%0.509SS..Hα-helixtrans-65-39.7176.600000112.8S230 I231 E232 V237 T238S230-A234 WeakPolarHBondContact O-CB 3.42Å; S230-A234 PolarHBondContact O-N 3.37Å; S230-A234 VanDerWaalsContact O-N 3.1Å; I231-A234 PolarHBondContact O-N 3.21Å; E232-A234 VanDerWaalsContact C-N 3.32Å; E232-A234 PolarHBondContact O-N 2.95Å; A234-V237 PolarHBondContact O-N 3.48Å; A234-T238 WeakPolarHBondContact O-CB 3.46Å; A234-T238 PolarHBondContact O-N 2.87Å; A234-T238 PolarHBondContact O-OG1 3.43Å
235T69Low65.3Low69 Ų6994.8 Ų94.842%0.42351%0.507SS..Hα-helixtrans-68.6-37.517661.90000112I231 E232 T238 K239I231-T235 HydrophobicContact CG2-CG2 4.36Å; I231-T235 WeakPolarHBondContact O-CG2 3.42Å; I231-T235 PolarHBondContact O-N 3.01Å; I231-T235 PolarHBondContact O-OG1 2.74Å; E232-T235 PolarHBondContact O-N 3.1Å; E232-T235 VanDerWaalsContact O-N 3.15Å; E232-T235 PolarHBondContact O-OG1 2.89Å; T235-T238 PolarHBondContact O-N 3.27Å; T235-K239 WeakPolarHBondContact O-CG 3.44Å; T235-K239 PolarHBondContact O-N 2.86Å
236Q66.8Low64.6Low95 Ų9598.1 Ų98.144%0.44452%0.515SS..Hα-helixtrans-63.7-45.9173.8-70.4-166.116.600111.2E232 D233 T238 K239 W240E232-Q236 WeakPolarHBondContact O-CG 3.38Å; E232-Q236 PolarHBondContact O-N 3.41Å; D233-Q236 PolarHBondContact O-N 3.29Å; Q236-T238 VanDerWaalsContact C-N 3.26Å; Q236-T238 PolarHBondContact O-N 3.48Å; Q236-K239 PolarHBondContact O-N 3.49Å; Q236-W240 PolarHBondContact O-N 3.46Å
237V60.6Low63.3Low81 Ų8195.5 Ų95.549%0.49151%0.514SS..Hα-helixtrans-59.2-39175171.40000111.4D233 A234 W240 K241D233-V237 VanDerWaalsContact O-CG2 3.31Å; D233-V237 WeakPolarHBondContact O-CG2 3.38Å; D233-V237 PolarHBondContact O-N 2.89Å; A234-V237 PolarHBondContact O-N 3.48Å; V237-W240 PolarHBondContact O-N 3.41Å; V237-K241 HydrophobicContact CG1-CD 4.48Å; V237-K241 WeakPolarHBondContact O-CB 3.48Å; V237-K241 WeakPolarHBondContact O-CG 3.37Å; V237-K241 PolarHBondContact O-N 2.8Å
238T62.5Low62.4Low90 Ų9097.2 Ų97.255%0.55253%0.526SS*.Hα-helixtrans-69.5-41.6178.2-51.90000111.7A234 T235 Q236 K241 A242A234-T238 WeakPolarHBondContact O-CB 3.46Å; A234-T238 PolarHBondContact O-N 2.87Å; A234-T238 PolarHBondContact O-OG1 3.43Å; T235-T238 PolarHBondContact O-N 3.27Å; Q236-T238 VanDerWaalsContact C-N 3.26Å; Q236-T238 PolarHBondContact O-N 3.48Å; T238-K241 PolarHBondContact O-N 2.99Å; T238-A242 WeakPolarHBondContact O-CB 3.45Å; T238-A242 PolarHBondContact O-N 3.32Å
239K63.7Low61.5Low151 Ų151100 Ų10066%0.65754%0.536SS*.Hα-helixtrans-60-46.6171.9-77.8-179.8179.5177.20111.4T235 Q236 K241 A242 S243T235-K239 WeakPolarHBondContact O-CG 3.44Å; T235-K239 PolarHBondContact O-N 2.86Å; Q236-K239 PolarHBondContact O-N 3.49Å; K239-K241 PolarHBondContact O-N 3.33Å; K239-A242 PolarHBondContact O-N 3.13Å; K239-S243 WeakPolarHBondContact O-CB 3.41Å; K239-S243 PolarHBondContact O-N 3.1Å; K239-S243 PolarHBondContact O-OG 3.45Å
240W52.9Low60.1Low192 Ų192100.6 Ų100.673%0.72755%0.546SS*.Hα-helixtrans-60.4-42.5175.6-85.7104.2000112.3Q236 V237 S244Q236-W240 PolarHBondContact O-N 3.46Å; V237-W240 PolarHBondContact O-N 3.41Å; W240-S244 VanDerWaalsContact O-CB 3.24Å; W240-S244 WeakPolarHBondContact O-CB 3.48Å; W240-S244 PolarHBondContact O-N 2.99Å
241K59.4Low58.7Low140 Ų140107.9 Ų107.961%0.60956%0.562SS**Hα-helixtrans-63-44.7174.1-79.8-179.2178.51790112.2V237 T238 K239 S244 I245V237-K241 HydrophobicContact CG1-CD 4.48Å; V237-K241 WeakPolarHBondContact O-CB 3.48Å; V237-K241 WeakPolarHBondContact O-CG 3.37Å; V237-K241 PolarHBondContact O-N 2.8Å; T238-K241 PolarHBondContact O-N 2.99Å; K239-K241 PolarHBondContact O-N 3.33Å; K241-S244 PolarHBondContact O-N 3.34Å; K241-I245 VanDerWaalsContact O-CG1 3.26Å; K241-I245 WeakPolarHBondContact O-CG1 3.49Å; K241-I245 PolarHBondContact O-N 3Å
242A54.7Low57.3Low48 Ų48111.9 Ų111.940%0.39758%0.578SS.*Hα-helixtrans-63.6-47.417800000111.7T238 K239 S244 I245 M246T238-A242 WeakPolarHBondContact O-CB 3.45Å; T238-A242 PolarHBondContact O-N 3.32Å; K239-A242 PolarHBondContact O-N 3.13Å; A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 3Å; A242-I245 PolarHBondContact O-N 3.35Å; A242-M246 WeakPolarHBondContact O-CG 3.45Å; A242-M246 PolarHBondContact O-N 3.19Å
243S58.5Low55.5Low75 Ų75110 Ų11052%0.52459%0.588SS.*Hα-helixtrans-62.1-37.5175.2-64.90000112.4K239 S247K239-S243 WeakPolarHBondContact O-CB 3.41Å; K239-S243 PolarHBondContact O-N 3.1Å; K239-S243 PolarHBondContact O-OG 3.45Å; S243-S247 VanDerWaalsContact O-CB 3.27Å; S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 2.9Å
244S53.2Low53.6Low67 Ų67111.3 Ų111.347%0.46960%0.603SS.*Hα-helixtrans-68.7-38.3176.4-161.70000112.2W240 K241 A242 C248W240-S244 VanDerWaalsContact O-CB 3.24Å; W240-S244 WeakPolarHBondContact O-CB 3.48Å; W240-S244 PolarHBondContact O-N 2.99Å; K241-S244 PolarHBondContact O-N 3.34Å; A242-S244 VanDerWaalsContact C-N 3.32Å; A242-S244 PolarHBondContact O-N 3Å; S244-C248 PolarHBondContact O-N 3.48Å; S244-C248 VanDerWaalsContact O-N 3.12Å; S244-C248 PolarHBondContact O-SG 3.07Å
245I53.3Low51.8Low102 Ų102114.4 Ų114.452%0.52362%0.617SS.*Hα-helixtrans-66.3-43.5175.7-69.1164.3000110.6K241 A242 C248 Q249K241-I245 VanDerWaalsContact O-CG1 3.26Å; K241-I245 WeakPolarHBondContact O-CG1 3.49Å; K241-I245 PolarHBondContact O-N 3Å; A242-I245 PolarHBondContact O-N 3.35Å; I245-C248 PolarHBondContact O-N 3.3Å; I245-C248 VanDerWaalsContact O-N 3.17Å; I245-Q249 PolarHBondContact O-N 3.42Å
246M51.5Low50.1Low124 Ų124121.9 Ų121.961%0.61164%0.639SS**Hα-helixtrans-65.1-41.2177-69-18067.800111.9A242 C248 Q249 D250A242-M246 WeakPolarHBondContact O-CG 3.45Å; A242-M246 PolarHBondContact O-N 3.19Å; M246-C248 PolarHBondContact O-N 2.92Å; M246-Q249 PolarHBondContact O-N 3.02Å; M246-Q249 VanDerWaalsContact O-N 3.11Å; M246-D250 PolarHBondContact O-N 3.3Å
247S48.7Very low48.3Very low85 Ų85120.6 Ų120.659%0.59465%0.652SS**Hα-helixtrans-64-23174153.80000113.5S243S243-S247 VanDerWaalsContact O-CB 3.27Å; S243-S247 WeakPolarHBondContact O-CB 3.33Å; S243-S247 PolarHBondContact O-N 2.9Å
248C48.1Very low47.2Very low85 Ų85124.4 Ų124.457%0.57467%0.668SS**Hα-helixtrans-87.8-16.8175.5-68.20000113S244 I245 M246S244-C248 PolarHBondContact O-N 3.48Å; S244-C248 VanDerWaalsContact O-N 3.12Å; S244-C248 PolarHBondContact O-SG 3.07Å; I245-C248 PolarHBondContact O-N 3.3Å; I245-C248 VanDerWaalsContact O-N 3.17Å; M246-C248 PolarHBondContact O-N 2.92Å
249Q51.1Low45.8Very low140 Ų140125.8 Ų125.865%0.65468%0.676SS**Hα-helixtrans-86.7-21.4179.4-78176.7-21.400113.4I245 M246 R251I245-Q249 PolarHBondContact O-N 3.42Å; M246-Q249 PolarHBondContact O-N 3.02Å; M246-Q249 VanDerWaalsContact O-N 3.11Å; Q249-R251 VanDerWaalsContact C-N 3.29Å; Q249-R251 PolarHBondContact O-N 2.98Å
250D46.6Very low44.7Very low148 Ų148124 Ų12479%0.79168%0.682SS**THydrogen-bonded Turntrans-85.38.1179.8-72.5-28.2000114.6M246M246-D250 PolarHBondContact O-N 3.3Å
251R44.7Very low43.8Very low229 Ų229127 Ų12786%0.86469%0.694SS**THydrogen-bonded Turntrans-125.13.2-174.6-131.9178.7179.4171.20.4117.3Q249Q249-R251 VanDerWaalsContact C-N 3.29Å; Q249-R251 PolarHBondContact O-N 2.98Å
252E41.2Very low42.7Very low188 Ų188124.3 Ų124.388%0.87971%0.706SS**  trans-103.566.4168.7-75.4-173.8169.500111.1
253G35.6Very low41.6Very low69 Ų69132.3 Ų132.371%0.71173%0.726SS**  trans-83118.2161.600000110.4
254S34.7Very low40.7Very low108 Ų108136.9 Ų136.976%0.75574%0.743SS**  trans67.9103.5151.8-170.70000117.4
255T31.9Very low39.9Very low116 Ų116141 Ų14171%0.71276%0.756SS**  -178.5120.7116.825.20000112.9
256Y32Very low39Very low226 Ų226141.6 Ų141.689%0.88677%0.77SS**  trans60.5109.4153.6-65.7-79.9000121.5
257G30Very low38.2Very low69 Ų69147.2 Ų147.271%0.71178%0.784SS**  107.4133.8110.500000117.9
258I37.3Very low37.5Very low161 Ų161150 Ų15083%0.82679%0.792SS**  trans99.876.9160.6-46.7165.5000115.6
259T32.6Very low37.2Very low119 Ų119154.8 Ų154.873%0.7381%0.811SS**  25.1120.1125.562.10000119.1
260S40.8Very low36.3Very low112 Ų112155.1 Ų155.178%0.78382%0.818SS**  171.3114.5105.4-71.30000113.1
261R34.1Very low35.7Very low255 Ų255152.7 Ų152.796%0.96281%0.813SS**  trans77.6100.2134-150.1173.7-170.31711.1119
262G35.3Very low35.2Very low85 Ų85146.6 Ų146.688%0.87681%0.805SS**  trans169.375.5158.800000113
263R33Very low34.8Very low215 Ų215144.7 Ų144.781%0.81180%0.801SS**  trans-107.7125.6-177.5-175.2-163.6-79.7-171.7-4110.2M265R263-M265 HydrophobicContact CG-CG 4.06Å
264I40Very low34.8Very low171 Ų171149.8 Ų149.888%0.87781%0.806SS**  trans-147.185.6149.9-53.4-179.2000105.6
265M34.7Very low34.6Very low153 Ų153150.6 Ų150.675%0.75481%0.808SS**  56.1108.899.2-63.3-153.880.300116.1R263R263-M265 HydrophobicContact CG-CG 4.06Å
266S35.5Very low34.7Very low115 Ų115151 Ų15180%0.80481%0.811SS**  trans-60159.7165.6-50.80000113.6
267R35.2Very low34.6Very low243 Ų243145.4 Ų145.492%0.91780%0.8SS**  trans-141126.7151.1-140.3178.1-157.5170.54.7110.8
268D33.1Very low34.5Very low142 Ų142150.1 Ų150.176%0.75980%0.804SS**  trans-63.1156179-48.9-72.1000113.2
269L41.9Very low34.1Very low186 Ų186148.9 Ų148.997%0.97480%0.798SS**  trans-174150.3139.3-96.7156.1000111.5
270D31.5Very low34.1Very low147 Ų147149.5 Ų149.579%0.78680%0.802SS**  trans-120.2162.2-148-162.21.6000111.7
271S34.3Very low33.7Very low98 Ų98152.7 Ų152.769%0.68581%0.805SS**  trans79.2129.315682.50000123.8
272S35.6Very low33.8Very low101 Ų101149.2 Ų149.271%0.70680%0.799SS**  trans83.2117.7140.465.10000121.9
273D31.7Very low33.9Very low147 Ų147152.4 Ų152.479%0.78680%0.796SS**  trans42.199.1139-64.3-23.9000119.3
274H34.7Very low34.3Very low176 Ų176147.2 Ų147.282%0.81579%0.79SS**  trans-159.1128.5136.3-90.1-57.2000110.4V276H274-V276 HydrophobicContact CB-CG2 4.44Å; H274-V276 PolarHBondContact O-N 3.4Å
275P31.8Very low34.3Very low125 Ų125145.7 Ų145.781%0.81278%0.778SS**  trans-81.1117.5170.132.4-26.6000107.9
276V34.3Very low34.6Very low126 Ų126141.3 Ų141.376%0.76476%0.762SS**  trans-12398.1173.7-176.40000109.2H274H274-V276 HydrophobicContact CB-CG2 4.44Å; H274-V276 PolarHBondContact O-N 3.4Å
277T28.4Very low35.1Very low108 Ų108141.8 Ų141.866%0.66376%0.76SS**  trans-12137.2146.344.80000117.8
278E28.3Very low35.8Very low168 Ų168135.3 Ų135.379%0.78575%0.747SS**  trans59.1125.8134.8-70.8179153.500119.5
279N28.7Very low36.6Very low134 Ų134133.1 Ų133.172%0.71773%0.733SS**  trans124.884.4146.5-57.8-25.2000113.4
280T33.5Very low36.9Very low133 Ų133128.7 Ų128.782%0.81671%0.709SS**  trans-134.375.4145.6-34.80000106.5H282T280-H282 PolarHBondContact O-N 3.47Å; T280-H282 VanDerWaalsContact O-N 3.09Å
281E32.1Very low38Very low178 Ų178125.2 Ų125.283%0.83270%0.697SS**  trans-54111.8163.4-71.8179.7150.200107.2D283E281-D283 PolarHBondContact O-N 2.99Å
282H37.4Very low39.1Very low183 Ų183123.4 Ų123.485%0.84768%0.684SS**  trans-66.193.1163.5-86.1-70.8000107.1T280 P284T280-H282 PolarHBondContact O-N 3.47Å; T280-H282 VanDerWaalsContact O-N 3.09Å; H282-P284 VanDerWaalsContact O-CD 3.31Å; H282-P284 WeakPolarHBondContact O-CD 3.49Å
283D35.8Very low40Very low151 Ų151123.8 Ų123.881%0.80767%0.674SS**  trans-61.7114.5174.2-151.52.7000108.3E281 F285E281-D283 PolarHBondContact O-N 2.99Å; D283-F285 PolarHBondContact O-N 3.29Å
284P42.1Very low41.3Very low106 Ų106121.6 Ų121.669%0.68866%0.662SS**  trans-68.8126.9-18027-30.6000108.7H282 S286H282-P284 VanDerWaalsContact O-CD 3.31Å; H282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-S286 PolarHBondContact O-N 3.41Å; P284-S286 VanDerWaalsContact O-N 3.16Å
285F39.3Very low42.5Very low140 Ų140115.8 Ų115.861%0.61464%0.641SS**  trans-31.1118.4177.8-79.1-82.9000112.9D283 E289 L290D283-F285 PolarHBondContact O-N 3.29Å; F285-E289 HydrophobicContact CD1-CB 4.42Å; F285-E289 HydrophobicContact CD1-CG 4.3Å; F285-E289 WeakPolarHBondContact CD1-OE2 3.47Å; F285-L290 HydrophobicContact CB-CD1 4.46Å
286S41.5Very low43.9Very low60 Ų60116.7 Ų116.742%0.4263%0.632SS.*  trans-55.6143.6176.573.20000110.6P284 T288 E289 L290P284-S286 PolarHBondContact O-N 3.41Å; P284-S286 VanDerWaalsContact O-N 3.16Å; S286-T288 PolarHBondContact O-N 3.48Å; S286-T288 PolarHBondContact OG-OG1 2.86Å; S286-E289 PolarHBondContact O-N 2.71Å; S286-L290 PolarHBondContact O-N 3.47Å
287V46.4Very low45Very low126 Ų126115.1 Ų115.176%0.76462%0.619SS**Hα-helixtrans-53.2-27.8179.7-179.80000112S291V287-S291 VanDerWaalsContact O-CB 3.29Å; V287-S291 WeakPolarHBondContact O-CB 3.47Å; V287-S291 PolarHBondContact O-N 3.42Å
288T48.8Very low46Very low106 Ų106116 Ų11665%0.6562%0.617SS**Hα-helixtrans-65.2-37.6173.216.30000114.1S286 S292S286-T288 PolarHBondContact O-N 3.48Å; S286-T288 PolarHBondContact OG-OG1 2.86Å; T288-S292 PolarHBondContact O-N 3.21Å; T288-S292 VanDerWaalsContact O-N 3.13Å
289E50.8Low47.1Very low97 Ų97115.2 Ų115.245%0.45361%0.611SS.*Hα-helixtrans-76.8-38.2-178.3-153.3164.6-167.400111.2F285 S286 S292 Q293F285-E289 HydrophobicContact CD1-CB 4.42Å; F285-E289 HydrophobicContact CD1-CG 4.3Å; F285-E289 WeakPolarHBondContact CD1-OE2 3.47Å; S286-E289 PolarHBondContact O-N 2.71Å; E289-S292 PolarHBondContact O-N 3.21Å; E289-S292 PolarHBondContact O-OG 2.86Å; E289-Q293 PolarHBondContact O-N 2.88Å; E289-Q293 VanDerWaalsContact O-N 3.14Å
290L48.9Very low48.1Very low93 Ų93115.6 Ų115.649%0.48761%0.608SS.*Hα-helixtrans-63.3-40.8170.2-86.9161.2000112.4F285 S286 Q293 L294F285-L290 HydrophobicContact CB-CD1 4.46Å; S286-L290 PolarHBondContact O-N 3.47Å; L290-Q293 PolarHBondContact O-N 2.81Å; L290-L294 WeakPolarHBondContact O-CB 3.5Å; L290-L294 PolarHBondContact O-N 3.3Å
291S53.6Low48.5Very low74 Ų74115.6 Ų115.652%0.51760%0.599SS.*Hα-helixtrans-58.9-44.7173.4161.10000112V287 Q293 L294 S295V287-S291 VanDerWaalsContact O-CB 3.29Å; V287-S291 WeakPolarHBondContact O-CB 3.47Å; V287-S291 PolarHBondContact O-N 3.42Å; S291-Q293 PolarHBondContact O-N 2.72Å; S291-L294 PolarHBondContact O-N 2.99Å; S291-S295 WeakPolarHBondContact O-CB 3.42Å; S291-S295 PolarHBondContact O-N 3.44Å
292S58.2Low49Very low59 Ų59116 Ų11641%0.41360%0.598SS.*Hα-helixtrans-66.2-37.3179.191.20000112.5T288 E289 K296T288-S292 PolarHBondContact O-N 3.21Å; T288-S292 VanDerWaalsContact O-N 3.13Å; E289-S292 PolarHBondContact O-N 3.21Å; E289-S292 PolarHBondContact O-OG 2.86Å; S292-K296 PolarHBondContact O-N 3.25Å
293Q53.5Low49.2Very low110 Ų110111.7 Ų111.751%0.51459%0.588SS.*Hα-helixtrans-72.1-42.7177.1-72-155.57.400111.8E289 L290 S291 S295 K296 I297E289-Q293 PolarHBondContact O-N 2.88Å; E289-Q293 VanDerWaalsContact O-N 3.14Å; L290-Q293 PolarHBondContact O-N 2.81Å; S291-Q293 PolarHBondContact O-N 2.72Å; Q293-S295 VanDerWaalsContact C-N 3.32Å; Q293-S295 PolarHBondContact O-N 3.31Å; Q293-K296 PolarHBondContact O-N 2.88Å; Q293-I297 VanDerWaalsContact O-CG1 3.27Å; Q293-I297 WeakPolarHBondContact O-CG1 3.25Å; Q293-I297 PolarHBondContact O-N 3.06Å
294L59.5Low49.3Very low101 Ų101108.3 Ų108.353%0.52958%0.577SS.*Hα-helixtrans-61.5-39.7173.8-84.7159.6000111.7L290 S291 I297 M298L290-L294 WeakPolarHBondContact O-CB 3.5Å; L290-L294 PolarHBondContact O-N 3.3Å; S291-L294 PolarHBondContact O-N 2.99Å; L294-I297 PolarHBondContact O-N 2.92Å; L294-M298 WeakPolarHBondContact O-CB 3.38Å; L294-M298 WeakPolarHBondContact O-CG 3.28Å; L294-M298 PolarHBondContact O-N 3.37Å
295S60.5Low48.9Very low54 Ų54110.7 Ų110.738%0.37858%0.584SS.*Hα-helixtrans-66.5-37.6176.1-158.40000112.4S291 Q293 K299S291-S295 WeakPolarHBondContact O-CB 3.42Å; S291-S295 PolarHBondContact O-N 3.44Å; Q293-S295 VanDerWaalsContact C-N 3.32Å; Q293-S295 PolarHBondContact O-N 3.31Å; S295-K299 VanDerWaalsContact O-CB 3.32Å; S295-K299 WeakPolarHBondContact O-CB 3.46Å; S295-K299 VanDerWaalsContact O-CG 3.23Å; S295-K299 WeakPolarHBondContact O-CG 3.44Å; S295-K299 PolarHBondContact O-N 3.28Å
296K60Low48.5Very low143 Ų143111.8 Ų111.862%0.62259%0.59SS**Hα-helixtrans-65.5-41.9172-87.3178.7177.5172.40112.1S292 Q293 K299 H300S292-K296 PolarHBondContact O-N 3.25Å; Q293-K296 PolarHBondContact O-N 2.88Å; K296-K299 PolarHBondContact O-N 2.97Å; K296-H300 PolarHBondContact O-CD2 2.76Å; K296-H300 PolarHBondContact O-N 3.44Å; K296-H300 VanDerWaalsContact O-N 3.09Å
297I57.4Low48Very low93 Ų93115.7 Ų115.748%0.47761%0.612SS.*Hα-helixtrans-66.6-43.9178.6-66.4164.2000110.7Q293 L294 K299 H300 Q301Q293-I297 VanDerWaalsContact O-CG1 3.27Å; Q293-I297 WeakPolarHBondContact O-CG1 3.25Å; Q293-I297 PolarHBondContact O-N 3.06Å; L294-I297 PolarHBondContact O-N 2.92Å; I297-K299 PolarHBondContact O-N 2.84Å; I297-H300 PolarHBondContact O-N 3.45Å; I297-Q301 PolarHBondContact O-N 2.94Å
298M49.3Very low47.4Very low126 Ų126117 Ų11762%0.62161%0.613SS**Hα-helixtrans-66.8-34.5176.4-72-173.681.500112.8L294 H300 Q301 K302L294-M298 WeakPolarHBondContact O-CB 3.38Å; L294-M298 WeakPolarHBondContact O-CG 3.28Å; L294-M298 PolarHBondContact O-N 3.37Å; M298-H300 VanDerWaalsContact C-N 3.33Å; M298-Q301 PolarHBondContact O-N 3.21Å; M298-K302 PolarHBondContact O-N 3.44Å
299K52.4Low46.3Very low152 Ų152116 Ų11666%0.66162%0.624SS**Hα-helixtrans-69.5-28174.4-77.1175.9-177.7179.70113S295 K296 I297S295-K299 VanDerWaalsContact O-CB 3.32Å; S295-K299 WeakPolarHBondContact O-CB 3.46Å; S295-K299 VanDerWaalsContact O-CG 3.23Å; S295-K299 WeakPolarHBondContact O-CG 3.44Å; S295-K299 PolarHBondContact O-N 3.28Å; K296-K299 PolarHBondContact O-N 2.97Å; I297-K299 PolarHBondContact O-N 2.84Å
300H48.3Very low45.5Very low142 Ų142115.4 Ų115.466%0.65763%0.63SS**Hα-helixtrans-85.6-18.6174.3-76.1-58000114.2K296 I297 M298K296-H300 PolarHBondContact O-CD2 2.76Å; K296-H300 PolarHBondContact O-N 3.44Å; K296-H300 VanDerWaalsContact O-N 3.09Å; I297-H300 PolarHBondContact O-N 3.45Å; M298-H300 VanDerWaalsContact C-N 3.33Å
301Q42.9Very low44.6Very low133 Ų133118 Ų11862%0.62165%0.645SS**Hα-helixtrans-83.8-27.7171.6-88.7178.3-20.300113.5I297 M298 S303 S304I297-Q301 PolarHBondContact O-N 2.94Å; M298-Q301 PolarHBondContact O-N 3.21Å; Q301-S303 VanDerWaalsContact C-N 3.28Å; Q301-S303 PolarHBondContact O-N 3.3Å; Q301-S304 PolarHBondContact O-OG 3.16Å
302K43Very low43.7Very low187 Ų187123.4 Ų123.481%0.81366%0.662SS**THydrogen-bonded Turntrans-78.6-4.8-178.7-122.4174.1-178.21780114.7M298M298-K302 PolarHBondContact O-N 3.44Å
303S40.3Very low42.6Very low92 Ų92125.5 Ų125.564%0.64368%0.677SS**THydrogen-bonded Turntrans-106.913.9178.269.10000113.9Q301Q301-S303 VanDerWaalsContact C-N 3.28Å; Q301-S303 PolarHBondContact O-N 3.3Å
304S39Very low41.4Very low81 Ų81127.4 Ų127.457%0.56669%0.69SS**  trans-120.19.3-179.350.70000115.1Q301 E306Q301-S304 PolarHBondContact O-OG 3.16Å; S304-E306 PolarHBondContact O-N 3.01Å
305D33.3Very low40.2Very low156 Ų156130.8 Ų130.883%0.83470%0.703SS**  trans-82.857.4167-80.1-26000110.6
306E32.1Very low38.7Very low162 Ų162133.9 Ų133.976%0.75772%0.723SS**SBendtrans-125.6101162.7-84-169.715900108.4S304 I308S304-E306 PolarHBondContact O-N 3.01Å; E306-I308 PolarHBondContact O-N 3.36Å
307T29.3Very low37.5Very low142 Ų142134.8 Ų134.887%0.87173%0.734SS**  trans45.573.5139.7-18.20000116.9
308I33.5Very low36.3Very low153 Ų153137.9 Ų137.979%0.78575%0.751SS**  trans-126.478.2159.2-51.2179.5000109.7E306 S310E306-I308 PolarHBondContact O-N 3.36Å; I308-S310 PolarHBondContact O-N 3.45Å
309G26.5Very low35.6Very low86 Ų86143.8 Ų143.889%0.88777%0.767SS**  trans-73.895144.300000107.8
310S34.6Very low34.6Very low84 Ų84146.2 Ų146.259%0.58778%0.778SS**  trans-162.8125.1159.6-174.80000111I308 H312I308-S310 PolarHBondContact O-N 3.45Å; S310-H312 PolarHBondContact O-N 2.9Å
311N30.2Very low34Very low149 Ų149145 Ų14580%0.79779%0.785SS**  trans-53124.9179.2-60-46.2000112.7
312H33.9Very low33.4Very low186 Ų186144.3 Ų144.386%0.86180%0.795SS**  trans-120.587.9150.3-77.8-59.5000109.4S310S310-H312 PolarHBondContact O-N 2.9Å
313S34.6Very low33Very low104 Ų104140.3 Ų140.373%0.72779%0.788SS**  trans-59128.5162.4177.90000109.7H315S313-H315 PolarHBondContact O-N 3.38Å
314N28.1Very low32.7Very low149 Ų149143.2 Ų143.280%0.79780%0.796SS**  trans-49.7125.5153.6-68.2-45000109
315H35.4Very low32.3Very low173 Ų173144.3 Ų144.380%0.80180%0.804SS**  trans-172.3110.7139.6-109.2-69.5000110S313 L317S313-H315 PolarHBondContact O-N 3.38Å; H315-L317 PolarHBondContact O-N 3.39Å
316C28.6Very low32.3Very low119 Ų119143 Ų14380%0.80481%0.807SS**  trans-50.6127.3147.4-65.30000108.1
317L35.3Very low32.2Very low161 Ų161140.2 Ų140.284%0.84381%0.805SS**  trans179.4118.9132-92.7162.1000110H315 R319H315-L317 PolarHBondContact O-N 3.39Å; L317-R319 PolarHBondContact O-N 2.96Å
318N32Very low32.3Very low158 Ų158142 Ų14285%0.84581%0.808SS**  trans-51.6122159.4-88.2-37.8000110.2
319R33.4Very low32.2Very low250 Ų250140.4 Ų140.494%0.94381%0.806SS**  -179.7138.5121.2-96.8170.8-171.9-158.23.6111.9L317L317-R319 PolarHBondContact O-N 2.96Å
320K31.7Very low32.5Very low204 Ų204143.9 Ų143.989%0.88780%0.804SS**  trans-67139.6-172-63.2169.1172.9178.20113.7
321S35.4Very low32.3Very low116 Ų116148.3 Ų148.381%0.81182%0.815SS**  trans170.5102.4130.635.20000108.8
322S32.1Very low32.3Very low118 Ų118149 Ų14983%0.82582%0.818SS**  79.2118.3107.6-170.60000114.6
323P33.5Very low32.5Very low104 Ų104145.8 Ų145.868%0.67581%0.813SS**  trans-100.9159-174.238.8-31.9000112.7
324N34.2Very low32.6Very low152 Ų152146 Ų14681%0.81381%0.812SS**  trans-179121.5130.8-91.4-13.1000113
325S30.2Very low32.8Very low105 Ų105144.6 Ų144.673%0.73481%0.812SS**  trans46121.5138.964.70000121.3
326S34.4Very low32.6Very low127 Ų127142.3 Ų142.389%0.88882%0.815SS**  179.4142.6103.134.40000111.5
327S29.4Very low32.6Very low104 Ų104141.4 Ų141.473%0.72781%0.81SS**  trans-81.2156.9-170.456.20000113.8
328L31.4Very low32.3Very low179 Ų179140.7 Ų140.794%0.93781%0.806SS**  trans-156.2119.2146.7-103.6159.1000108.5
329T30.8Very low32Very low120 Ų120141 Ų14174%0.73680%0.803SS**  trans-116.1137.9-175.4-24.40000109.1
330L32.4Very low31.6Very low160 Ų160135.1 Ų135.184%0.83880%0.795SS**  trans-147.884.5162.5-96.2159.7000106.7
331Q30.3Very low31.4Very low176 Ų176131.4 Ų131.482%0.82279%0.791SS**  66.496.9100.3-79.6-170.3-21.800115.9
332L31.6Very low31Very low163 Ų163131.4 Ų131.485%0.85379%0.786SS**PPolyproline II helixtrans-94.3147.1148.6-95.681.8000109
333P38.3Very low30.8Very low119 Ų119130 Ų13077%0.77378%0.776SS**PPolyproline II helixtrans-72.2152.3-178.529.7-32.6000112.5
334P36.6Very low30.5Very low108 Ų108134 Ų13470%0.70179%0.786SS**PPolyproline II helixtrans-79.3154.1-168.632.8-34.7000112.7S336P334-S336 PolarHBondContact O-N 3.29Å
335P31Very low30.2Very low121 Ų121132.8 Ų132.879%0.78679%0.785SS**PPolyproline II helixtrans-71.6123.316830.1-29.6000108.6S337P335-S337 PolarHBondContact O-N 3.11Å
336S32Very low30.2Very low124 Ų124138.8 Ų138.887%0.86779%0.793SS**  trans-66.498.3170.3-56.50000109.4P334P334-S336 PolarHBondContact O-N 3.29Å
337S28.4Very low29.9Very low100 Ų100142 Ų14270%0.69980%0.796SS**  trans-61.4132.5148.444.80000108.7P335P335-S337 PolarHBondContact O-N 3.11Å
338L28.4Very low29.9Very low147 Ų147146 Ų14677%0.7780%0.8SS**  trans170.1125.3132.4-93.5145000111.4
339Q27.6Very low29.7Very low164 Ų164144.1 Ų144.177%0.76680%0.797SS**  trans76.595.4150.7-79.9162.8-34.500119.7
340T24.1Very low29.6Very low127 Ų127147.8 Ų147.878%0.77981%0.808SS**  trans-39.5129.2130.7410000112.2
341P28.4Very low29.4Very low125 Ų125144.9 Ų144.981%0.81281%0.807SS**  trans-96.6106.4147.822.8-6.8000108.3
342T27.1Very low29.3Very low116 Ų116142.7 Ų142.771%0.71281%0.806SS**  trans-52.8145.2152.143.70000110.3
343S26.6Very low29.1Very low88 Ų88141.6 Ų141.662%0.61580%0.801SS**SBendtrans60.3123.2151.654.10000119.6
344E26.7Very low28.7Very low188 Ų188144.5 Ų144.588%0.87980%0.801SS**SBendtrans61.458139.1-60-178.4157.200118.8
345T29.6Very low28.3Very low128 Ų128146.1 Ų146.179%0.78581%0.809SS**  trans-159.232.6161.5-13.50000118.2
346Y28.6Very low28.3Very low231 Ų231148 Ų14891%0.90681%0.813SS**SBendtrans-123.610.8174.7-128.2-96000116.3
347M29.7Very low28Very low194 Ų194150.7 Ų150.796%0.95681%0.812SS**SBendtrans-105.152.3171.3-75.3-73.2-118.200111.5
348K27.5Very low28.2Very low187 Ų187153.6 Ų153.681%0.81382%0.818SS**  trans-146.546.7179.8-147.4175-172.7176.80114.6
349T27.7Very low28.2Very low141 Ų141154 Ų15487%0.86582%0.817SS**SBendtrans-16091.8157.3-29.90000108.7
350M29Very low28.2Very low197 Ų197151.8 Ų151.897%0.9781%0.814SS**SBendtrans162.4-7.4160.3-88.6-78.1-164.700112.5
351A27.4Very low28.6Very low99 Ų99155 Ų15582%0.81882%0.817SS**  trans-121.694174.100000111.1
352T28.6Very low28.5Very low129 Ų129158 Ų15879%0.79182%0.821SS**  trans-137.3134.4158.831.80000109.9
353N28.7Very low28.6Very low141 Ų141158 Ų15875%0.75483%0.826SS**  trans93.3115.9176.3-54.4-31.5000115.4
354K29.3Very low28.5Very low179 Ų179161.6 Ų161.678%0.77884%0.837SS**  cis-177.6120.8-3.5-123.2174.1-170.8179.80105.6
355T28.6Very low28.6Very low143 Ų143157.5 Ų157.588%0.87783%0.826SS**  trans-148.8110.3153.3-30.80000107.7
356N29.8Very low28.5Very low161 Ų161159.9 Ų159.986%0.86183%0.828SS**  trans-77.2129.6173.7-79.6-14.7000109.4
357E27Very low28.3Very low179 Ų179157.9 Ų157.984%0.83682%0.824SS**  trans-77.4153.2164.7-68.2-179.9144.900111.8
358L31.1Very low28.4Very low161 Ų161156.2 Ų156.284%0.84382%0.819SS**  trans-150.895.1141.3-109132.2000105.9
359Q28.8Very low28.3Very low156 Ų156152.9 Ų152.973%0.72982%0.815SS**  78.6115.295.2-103.8-172.58.500115
360T28.4Very low28.4Very low117 Ų117154 Ų15472%0.71882%0.815SS**  trans60.5133.3140.947.50000118.4
361K31.7Very low28.2Very low194 Ų194148.2 Ų148.284%0.84381%0.806SS**  cis-173.5160.742.3-122.3164.3-173.9-173.60108.2
362E25.7Very low28.2Very low190 Ų190152.7 Ų152.789%0.88881%0.81SS**  trans-54.1141.5179.2-64.6161.9125.600115.8
363S29.8Very low28Very low116 Ų116154.5 Ų154.581%0.81181%0.814SS**  trans-175.8121.5130.854.70000111.4
364L23.9Very low27.8Very low163 Ų163153.3 Ų153.385%0.85382%0.816SS**  trans-60.7-178.3157.8-87.8100.6000110.8
365P30.8Very low27.5Very low101 Ų101154.5 Ų154.566%0.65682%0.821SS**  cis-136.4160-45.335.6-19.8000112.2
366H27.3Very low27.3Very low179 Ų179154 Ų15483%0.82981%0.811SS**  trans-174.4139.3137.6-113.841.8000113.8
367K24.3Very low26.9Very low189 Ų189152.2 Ų152.282%0.82281%0.811SS**  trans-61.7133.2161.2-86.7171.9168.7173.60108.8
368D31.2Very low26.9Very low158 Ų158148.3 Ų148.385%0.84580%0.804SS**  trans-133.3108147.2-88.3-38.2000109.4
369T26.2Very low26.5Very low118 Ų118145.8 Ų145.872%0.72480%0.8SS**  trans-66120.1152.835.90000108.3
370N28.8Very low26.4Very low164 Ų164150.7 Ų150.788%0.87781%0.812SS**  trans-177.6130.7138.1-85.8-24.9000108.9
371G25.4Very low26.2Very low75 Ų75150 Ų15077%0.77381%0.812SS**  trans-72.2149.6-175.500000113
372E27.3Very low26.1Very low193 Ų193146.6 Ų146.690%0.90281%0.812SS**  trans-159.9143.2133.3-120.7176.117400110.4C374E372-C374 PolarHBondContact O-N 3.04Å
373L23.5Very low26.1Very low168 Ų168146.6 Ų146.688%0.8881%0.813SS**  trans-55.1127.3175.1-76.4131.2000111
374C24.4Very low26Very low116 Ų116146.2 Ų146.278%0.78481%0.81SS**  trans-134.1109.5154.2-98.10000110.4E372 I376E372-C374 PolarHBondContact O-N 3.04Å; C374-I376 PolarHBondContact O-N 3.39Å
375K23.3Very low26.1Very low203 Ų203143.8 Ų143.888%0.88381%0.806SS**  trans-59.8120.4158.6-73173.6176174.70107.6
376I24.8Very low25.9Very low133 Ų133146 Ų14668%0.68282%0.818SS**  trans-125.4102.1163.1-59.9179.1000107.5C374 S378C374-I376 PolarHBondContact O-N 3.39Å; I376-S378 WeakPolarHBondContact CG2-OG 3.17Å
377S21.6Very low25.7Very low123 Ų123142.5 Ų142.586%0.8681%0.814SS**  trans-72.4115.9150-47.10000106.5
378S26.8Very low25.8Very low98 Ų98141.3 Ų141.369%0.68582%0.816SS**  trans-152.1127.1158.453.40000111.6I376I376-S378 WeakPolarHBondContact CG2-OG 3.17Å
379S23.1Very low25.4Very low108 Ų108140.2 Ų140.276%0.75582%0.815SS**  trans-46.8137.1164.544.90000114.1
380W26.9Very low25.5Very low258 Ų258140.5 Ų140.598%0.97782%0.817SS**  trans-124.9107.3148.3-95.6-25.4000110.7
381S22.9Very low25.4Very low103 Ų103139 Ų13972%0.7281%0.813SS**  trans-68.7132.315151.60000109.3
382S30.3Very low25.4Very low122 Ų122143 Ų14385%0.85382%0.817SS**  trans-154.6112.4148.2-76.40000109
383Q25.4Very low25.4Very low191 Ų191138.6 Ų138.689%0.89381%0.808SS**  trans-67139.9169.4-67.5161.5-43.500110.2
384S27.6Very low25.6Very low107 Ų107137.4 Ų137.475%0.74880%0.802SS**  177.498.7119.643.20000111.2
385S26.1Very low25.7Very low112 Ų112139.9 Ų139.978%0.78380%0.802SS**  trans29.4116132.241.80000120.5
386T27.3Very low25.9Very low147 Ų147139.3 Ų139.390%0.90280%0.8SS**  -145.9128.7115.40.20000109.8
387S23.6Very low26.2Very low107 Ų107139.9 Ų139.975%0.74880%0.803SS**  trans-69.5128.1-171.548.40000113
388L25.6Very low26.4Very low163 Ų163139.9 Ų139.985%0.85379%0.794SS**  trans-137112.5148.4-125.893.1000108.6T390L388-T390 PolarHBondContact O-N 3.39Å
389T23Very low26.6Very low136 Ų136140.4 Ų140.483%0.83480%0.797SS**  trans-68.6115.9169.240.60000109.5
390T27.4Very low26.9Very low123 Ų123142 Ų14276%0.75579%0.792SS**  trans-119.2108.7158.237.60000108.5L388L388-T390 PolarHBondContact O-N 3.39Å
391T27Very low27.2Very low132 Ų132137.7 Ų137.781%0.8179%0.788SS**  trans-52127.2166.333.70000110.9S393T391-S393 PolarHBondContact O-N 3.25Å
392N24.8Very low27.5Very low159 Ų159139.8 Ų139.885%0.8579%0.787SS**  trans-63.499.2163.9-75.9-23.5000109.1
393S28.9Very low27.6Very low101 Ų101143.5 Ų143.571%0.70679%0.791SS**  trans-9492.8157.151.10000107.9T391 E395T391-S393 PolarHBondContact O-N 3.25Å; S393-E395 PolarHBondContact O-N 3.1Å
394N26.4Very low27.7Very low143 Ų143140.8 Ų140.877%0.76578%0.782SS**  trans-68.988.3158.3-79.4-17.6000107.1F396N394-F396 PolarHBondContact O-N 3.47Å
395E27.3Very low27.8Very low168 Ų168141.3 Ų141.379%0.78579%0.786SS**  trans-88.7102.8168.5-139.6171.2-161.400107.9S393 I397S393-E395 PolarHBondContact O-N 3.1Å; E395-I397 PolarHBondContact O-N 3.3Å
396F26.4Very low27.8Very low191 Ų191143 Ų14384%0.83879%0.786SS**  trans-67.4108.2164.2-83.2-93.4000107.6N394 D398N394-F396 PolarHBondContact O-N 3.47Å; F396-D398 PolarHBondContact O-N 2.86Å
397I31.8Very low27.9Very low146 Ų146143.7 Ų143.775%0.74978%0.784SS**  trans-8397.1164-60.9177.4000106.9E395E395-I397 PolarHBondContact O-N 3.3Å
398D26.3Very low27.9Very low123 Ų123144.7 Ų144.766%0.65879%0.786SS**  trans-64.1127.2160.8-171.12000108.7F396 H400F396-D398 PolarHBondContact O-N 2.86Å; D398-H400 IonicContact OD1-CD2 4Å; D398-H400 IonicContact OD1-CG 2.92Å; D398-H400 PolarHBondContact OD1-N 2.89Å; D398-H400 IonicContact OD2-CD2 2.67Å
399S31.2Very low28.3Very low109 Ų109143.4 Ų143.476%0.76279%0.785SS**  trans-139.973165.545.20000108.8N401S399-N401 PolarHBondContact O-N 2.85Å
400H28.5Very low28.4Very low141 Ų141143.3 Ų143.365%0.65378%0.784SS**  trans-51.3122.2151.1-91.3-63.4000110.6D398D398-H400 IonicContact OD1-CD2 4Å; D398-H400 IonicContact OD1-CG 2.92Å; D398-H400 PolarHBondContact OD1-N 2.89Å; D398-H400 IonicContact OD2-CD2 2.67Å
401N32.8Very low28.4Very low167 Ų167145.2 Ų145.289%0.89379%0.789SS**  trans-137.7122.3138.9-103-18.5000109.5S399S399-N401 PolarHBondContact O-N 2.85Å
402H30.6Very low28.5Very low147 Ų147145.3 Ų145.368%0.68179%0.785SS**  trans-59.1145.7-178-85.6-98.2000113.3N404H402-N404 PolarHBondContact ND1-OD1 2.98Å
403E31Very low28.6Very low201 Ų201144 Ų14494%0.93979%0.785SS**  -141.9128.3127.8-117.4174.8-173.400109.9
404N28.7Very low28.5Very low133 Ų133145.2 Ų145.271%0.71179%0.788SS**  trans-74.6134.4-168-72.5-24000112.4H402H402-N404 PolarHBondContact ND1-OD1 2.98Å
405S29.9Very low28.5Very low118 Ų118143.2 Ų143.283%0.82579%0.785SS**  trans-142.8112.6138.774.90000109.6D407S405-D407 PolarHBondContact O-N 3.44Å
406N26.5Very low28.5Very low149 Ų149142.2 Ų142.280%0.79779%0.785SS**  trans-56.9126.9175.2-68.1-34.9000110.7
407D28.7Very low28.5Very low161 Ų161141.1 Ų141.186%0.86178%0.783SS**  trans-154120.5136.1-103.6-25.3000110.6S405S405-D407 PolarHBondContact O-N 3.44Å
408T24.3Very low28.3Very low127 Ų127141.7 Ų141.778%0.77979%0.786SS**  trans-70126.5-17841.60000111.5
409T32.4Very low28.4Very low137 Ų137141.2 Ų141.284%0.8479%0.787SS**  trans-165.6111.2135.118.70000110.3
410T25.3Very low28.2Very low133 Ų133143.2 Ų143.282%0.81679%0.789SS**  trans-31.3134.7163.431.10000115.3
411L28.5Very low28.3Very low163 Ų163142.1 Ų142.185%0.85379%0.792SS**  -173.1111.4128.8-95.9163.3000112.1
412N27.4Very low28.2Very low135 Ų135141.4 Ų141.472%0.72279%0.789SS**  trans20.6131156.3-65.7-13.5000122.2
413P26.9Very low28.1Very low131 Ų131141.8 Ų141.885%0.85180%0.795SS**  trans-80.3121.3165.132.9-28.3000110.3
414V28.6Very low28.3Very low126 Ų126138.5 Ų138.576%0.76479%0.79SS**  trans-88.8115.9170.7175.60000109.2N416V414-N416 PolarHBondContact O-N 3Å
415S25.8Very low28.6Very low101 Ų101139.8 Ų139.871%0.70680%0.796SS**  trans-61.6116.8168.3171.40000110.9Q417S415-Q417 PolarHBondContact O-N 2.99Å
416N27.3Very low28.6Very low147 Ų147140.9 Ų140.979%0.78679%0.793SS**  trans-8393.5170.4-77.6-18.6000109.9V414V414-N416 PolarHBondContact O-N 3Å
417Q27.2Very low28.9Very low169 Ų169139.1 Ų139.179%0.7979%0.788SS**  trans-77.3120.1154-82.3-174.1-2.700108.3S415 T419S415-Q417 PolarHBondContact O-N 2.99Å; Q417-T419 PolarHBondContact O-N 3.47Å
418I26.5Very low28.9Very low158 Ų158138.6 Ų138.681%0.8179%0.785SS**  trans-79.7105.7171.5-62.8170.2000106.9
419T28Very low29.4Very low113 Ų113140.8 Ų140.869%0.69379%0.79SS**  trans-100.3121.7162.237.30000109.2Q417 V421Q417-T419 PolarHBondContact O-N 3.47Å; T419-V421 PolarHBondContact O-N 3.39Å
420N27.7Very low29.5Very low150 Ų150143.4 Ų143.480%0.80279%0.79SS**  trans-57129.3168.6-66.7-27.9000109.5
421V30.9Very low29.8Very low118 Ų118143.4 Ų143.472%0.71579%0.785SS**  trans-114.7101.9168.5178.60000106.6T419T419-V421 PolarHBondContact O-N 3.39Å
422D29.5Very low30.1Very low153 Ų153141.6 Ų141.682%0.81878%0.776SS**  trans-74.6115.6164.1-88.3-38.5000108.6T424D422-T424 PolarHBondContact O-N 3.39Å
423D29.1Very low30.4Very low154 Ų154141.9 Ų141.982%0.82478%0.777SS**  trans-78.296.8167.4-84.3-33.4000109
424T35Very low30.6Very low133 Ų133140 Ų14082%0.81677%0.767SS**  trans-135.4127.3154.536.10000111.4D422D422-T424 PolarHBondContact O-N 3.39Å
425N34.7Very low30.8Very low159 Ų159140.4 Ų140.485%0.8576%0.764SS**  trans-67.3143-173.5-75.8-46.3000113.6
426N31.3Very low31.2Very low141 Ų141141.9 Ų141.975%0.75476%0.764SS**  trans78.4115.8143.7-87.9-0.8000121.4
427T32.4Very low31.6Very low113 Ų113141.3 Ų141.369%0.69376%0.761SS**  89116128.947.60000120.2
428D29Very low32.1Very low150 Ų150142.2 Ų142.280%0.80276%0.763SS**  trans75.488.1145.6-63.1-19.2000119.9
429I33.8Very low32.5Very low172 Ų172139.1 Ų139.188%0.88276%0.755SS**  trans-136.2118.3143-58-177.6000110
430K34Very low32.9Very low192 Ų192141 Ų14184%0.83576%0.761SS**  trans-75125.9164.9-95.6176.6174.9173.70110
431N32Very low33.3Very low134 Ų134143.1 Ų143.172%0.71776%0.763SS**  44.2113.3126.7-82.615.6000119.5
432N34.7Very low33.5Very low125 Ų125144.9 Ų144.967%0.66877%0.774SS**  148.4134.995.2-88.6-12.4000113.4
433N33.8Very low33.6Very low140 Ų140144.4 Ų144.475%0.74977%0.772SS**  trans64.8152143.3-67.9-2.2000119
434C30.7Very low33.8Very low93 Ų93143.4 Ų143.463%0.62877%0.766SS**  cis-176.6160.9-14.9-102.90000104.7
435D33.1Very low33.8Very low133 Ų133143 Ų14371%0.71176%0.759SS**  trans79.2112.3148.2-59-16.7000122.8
436D34Very low33.7Very low132 Ų132141.1 Ų141.171%0.70675%0.749SS**  55.3121.3119.1-64.6-17.6000121.4
437N35.5Very low33.6Very low135 Ų135142 Ų14272%0.72275%0.754SS**  175.4140.398.8-91.8-59.3000114
438K37.4Very low33.5Very low189 Ų189139.8 Ų139.882%0.82275%0.753SS**  trans8.7148.5137.7-65.9168.6-179.4167.60117.6
439S35.7Very low33.6Very low93 Ų93139.6 Ų139.665%0.6575%0.752SS**  cis-172.2158.329.740.90000105.6
440D36.7Very low33.3Very low153 Ų153140.5 Ų140.582%0.81875%0.75SS**  -174.5143.478.4-98.3-43.8000112.2
441K35.3Very low33Very low193 Ų193140.2 Ų140.284%0.83975%0.752SS**  trans-78.8146.3169.6-75.1169.2171.2171.70109.7
442T35.1Very low32.7Very low155 Ų155143.8 Ų143.895%0.95176%0.761SS**  trans-144.6135133.513.90000110.4
443N31.6Very low32.1Very low143 Ų143142.8 Ų142.877%0.76576%0.764SS**  trans-110.8177-166.3-159.710.3000108.2
444N33.9Very low31.6Very low134 Ų134141.6 Ų141.672%0.71776%0.762SS**  trans88.1146.9164.2-70.3-16.7000118.2
445N34.8Very low31.3Very low123 Ų123142.7 Ų142.766%0.65877%0.765SS**  cis-179.8148.9-31-135.7-11.7000105
446N33.1Very low30.8Very low120 Ų120140.7 Ų140.764%0.64276%0.758SS**  trans68.1118.3143.7-72.3-15.4000122.9
447N29.7Very low30.4Very low159 Ų159141 Ų14185%0.8576%0.759SS**  60.6125.7123.6-76.9-11.2000120.1
448G29.5Very low29.8Very low67 Ų67141.4 Ų141.469%0.69176%0.762SS**  trans150.298.1134.500000116.1
449N30.5Very low29.3Very low146 Ų146139 Ų13978%0.78176%0.757SS**  trans77.9125.2138.9-71.6-21.4000121.4
450K29.1Very low28.8Very low192 Ų192141.2 Ų141.284%0.83576%0.761SS**  trans69.5110.9151-60.4168.6-178-179.40112.5
451E27.4Very low28.3Very low185 Ų185143.2 Ų143.286%0.86476%0.763SS**  -152.3148.766.6-79.8170.7159.600112S453E451-S453 PolarHBondContact O-N 2.86Å
452K24.2Very low27.7Very low209 Ų209140.3 Ų140.391%0.90976%0.756SS**  trans-58.9115.7162.6-78.4174171.8178.10108.2
453S23.7Very low27.3Very low104 Ų104138.2 Ų138.273%0.72775%0.748SS**  trans-11591.7156.4-164.80000108.8E451 V455E451-S453 PolarHBondContact O-N 2.86Å; S453-V455 PolarHBondContact O-N 3.15Å
454T22.2Very low26.9Very low116 Ų116137.2 Ų137.271%0.71275%0.747SS**  trans-61.6108.1152.326.20000107.9T456T454-T456 VanDerWaalsContact C-N 3.31Å; T454-T456 PolarHBondContact O-N 3.46Å
455V24.3Very low26.4Very low115 Ų115136.5 Ų136.570%0.69775%0.753SS**  trans-89.982.2159.9-176.80000107.6S453S453-V455 PolarHBondContact O-N 3.15Å
456T24Very low25.9Very low92 Ų92136 Ų13656%0.56476%0.759SS**  trans-77113150.441.30000107.2T454 N458T454-T456 VanDerWaalsContact C-N 3.31Å; T454-T456 PolarHBondContact O-N 3.46Å; T456-N458 PolarHBondContact O-N 3.48Å
457N24.4Very low25.4Very low137 Ų137135 Ų13573%0.73377%0.768SS**  trans-79.665161-86.8-12.4000109.4
458N23.6Very low25.2Very low145 Ų145132.5 Ų132.578%0.77576%0.763SS**  trans-109.777.3150-80.3-15.4000105.4T456T456-N458 PolarHBondContact O-N 3.48Å
459L26.7Very low24.8Very low138 Ų138135.5 Ų135.572%0.72377%0.768SS**  trans-109.889.7173.6-103.1151000108.3F461L459-F461 PolarHBondContact O-N 3.18Å
460L24.3Very low24.6Very low140 Ų140139.4 Ų139.473%0.73377%0.773SS**  trans-43.1118.4149.5-100.576.7000108.9N462L460-N462 PolarHBondContact O-N 3.45Å
461F27.3Very low24.3Very low195 Ų195135.4 Ų135.486%0.85577%0.769SS**  trans-7996.9153.6-93.4-84.9000108L459 S463L459-F461 PolarHBondContact O-N 3.18Å; F461-S463 PolarHBondContact O-N 3.12Å
462N22.9Very low24Very low132 Ų132133 Ų13371%0.70676%0.761SS**  trans-68.7106.3153.9-91.7-17.4000107.9L460L460-N462 PolarHBondContact O-N 3.45Å
463S26.3Very low23.9Very low111 Ų111128.5 Ų128.578%0.77675%0.754SS**  trans-114.299150.8-69.60000107.1F461F461-S463 PolarHBondContact O-N 3.12Å
464T22.9Very low23.9Very low121 Ų121131.7 Ų131.774%0.74276%0.758SS**  trans-64.2152.3171.3370000112.5
465S23.6Very low24.1Very low119 Ų119135.6 Ų135.683%0.83277%0.765SS**  trans96128.7169.884.50000115
466S24.5Very low24.2Very low113 Ų113134.1 Ų134.179%0.7976%0.758SS**  cis-145.3140.11.144.50000108.8
467A21.9Very low24.2Very low100 Ų100141.2 Ų141.283%0.82678%0.776SS**  trans-49.3132.8175.500000113.3
468S26.6Very low24.3Very low106 Ų106144.3 Ų144.374%0.74178%0.779SS**  trans-144.4102.9141.353.40000109Y470S468-Y470 PolarHBondContact O-N 3.48Å
469T20.7Very low24.3Very low130 Ų130145.3 Ų145.380%0.79878%0.783SS**  trans-45.6110.3167.6-35.80000110.6
470Y25.9Very low24.4Very low228 Ų228146.2 Ų146.289%0.89479%0.789SS**  trans-139.9126.9153.9-92.1-77.7000111.8S468S468-Y470 PolarHBondContact O-N 3.48Å
471S22.7Very low24.4Very low107 Ų107148.4 Ų148.475%0.74880%0.795SS**  trans-73.8152.9-167.6-172.50000112.7
472I21Very low24.4Very low136 Ų136148 Ų14870%0.69780%0.796SS**  trans-33.5131.8166.6-64.8156.9000113Q474I472-Q474 HydrophobicContact CG2-CB 4.19Å
473C23.2Very low24.4Very low114 Ų114146.9 Ų146.977%0.7780%0.799SS**  trans-126.184.5146.9-80.50000109F475C473-F475 PolarHBondContact O-N 3.05Å
474Q23.4Very low24.5Very low171 Ų171150 Ų15080%0.79980%0.8SS**  trans-52.2117.3149.1-111.6171.9-1900106.9I472 P476I472-Q474 HydrophobicContact CG2-CB 4.19Å; Q474-P476 WeakPolarHBondContact O-CD 3.36Å
475F26.4Very low24.7Very low198 Ų198153.6 Ų153.687%0.86881%0.809SS**  trans-69.1113.9171.6-77.3-82.1000108.9C473C473-F475 PolarHBondContact O-N 3.05Å
476P25.5Very low24.8Very low84 Ų84158.8 Ų158.855%0.54581%0.812SS.*  trans-80.8125.2173.610.17.9000108.3Q474 Y478Q474-P476 WeakPolarHBondContact O-CD 3.36Å; P476-Y478 VanDerWaalsContact C-N 3.32Å; P476-Y478 HydrophobicContact CB-CD2 3.7Å; P476-Y478 HydrophobicContact CB-CE2 3.58Å; P476-Y478 HydrophobicContact CG-CD2 3.9Å; P476-Y478 HydrophobicContact CG-CE2 3.65Å; P476-Y478 PolarHBondContact O-N 2.86Å
477Y23.5Very low24.9Very low240 Ų240160.8 Ų160.894%0.94181%0.814SS**  trans-58.895.3160.7-100.5-94.4000108.6
478Y27.2Very low25.1Very low203 Ų203164.4 Ų164.480%0.79681%0.814SS**  trans-92.899.9169.4-88-73.3000110.1P476P476-Y478 VanDerWaalsContact C-N 3.32Å; P476-Y478 HydrophobicContact CB-CD2 3.7Å; P476-Y478 HydrophobicContact CB-CE2 3.58Å; P476-Y478 HydrophobicContact CG-CD2 3.9Å; P476-Y478 HydrophobicContact CG-CE2 3.65Å; P476-Y478 PolarHBondContact O-N 2.86Å
479L24.1Very low25.2Very low166 Ų166166.3 Ų166.387%0.86982%0.815SS**  trans-73.2110.1158.3-164.190.9000107.3
480N27.7Very low25.5Very low157 Ų157170.9 Ų170.984%0.8482%0.82SS**  trans-152.2114.8156.1-123.1-11000112.2
481Q24.2Very low25.5Very low186 Ų186165 Ų16587%0.86981%0.809SS**  trans-67.2132.7167.1-70170.1-26.700109.1
482Q27.5Very low25.8Very low186 Ų186171 Ų17187%0.86982%0.817SS**  trans-148.8125.9146.5-117.2169.88.200110.3
483S23.6Very low26Very low109 Ų109171.1 Ų171.176%0.76282%0.819SS**  trans-67.5131.5-175.549.30000112.7
484H28.9Very low26.2Very low175 Ų175172.5 Ų172.581%0.8182%0.818SS**  trans-114.8116.7158-77.4-56.5000109.9Y486H484-Y486 PolarHBondContact O-N 3.17Å
485Q26.6Very low26.3Very low198 Ų198173.4 Ų173.493%0.92582%0.82SS**PPolyproline II helixtrans-55.3122.2169.2-78.2168.3-54.800109.7
486Y25.3Very low26.2Very low228 Ų228168.2 Ų168.289%0.89481%0.813SS**PPolyproline II helixtrans-85.9124.1163.3-97.6-92.6000108.9H484H484-Y486 PolarHBondContact O-N 3.17Å
487N26.8Very low26.2Very low155 Ų155169.9 Ų169.983%0.82982%0.824SS**PPolyproline II helixtrans-82.3117.1172.2-159.59.3000108N489N487-N489 PolarHBondContact O-N 3.32Å
488E27Very low26.3Very low175 Ų175165 Ų16582%0.81882%0.819SS**  trans-72.6115176.4-68177.5155.800109.7
489N27.9Very low26.2Very low146 Ų146164.4 Ų164.478%0.78182%0.821SS**  trans-17996.7151.7-90.8-34.2000108.1N487N487-N489 PolarHBondContact O-N 3.32Å
490Y26.8Very low26.1Very low227 Ų227161 Ų16189%0.8981%0.811SS**  trans170.8119.1133.9-102.5-78.1000109.1
491P26.8Very low25.9Very low103 Ų103159.8 Ų159.867%0.66981%0.81SS**  trans-89.1135.4175.834.4-28.2000109.6
492Y29Very low25.9Very low233 Ų233155.9 Ų155.991%0.91480%0.799SS**  -172.8129.9129.5-102.1-73.4000110.9
493D24.5Very low25.7Very low140 Ų140156.5 Ų156.575%0.74979%0.794SS**  trans-49.8137.6179.7-113.8-39.2000116.4
494L27.9Very low25.7Very low142 Ų142157.3 Ų157.374%0.74380%0.8SS**  164.1100.7116.8-90.3144.2000113.6
495K25.5Very low25.6Very low191 Ų191155.7 Ų155.783%0.8380%0.796SS**  trans53.698.1139-64.5179.4-178.2174.40120.8
496A24.6Very low25.5Very low89 Ų89154.8 Ų154.874%0.73679%0.789SS**  -159.6124127.200000109.7T498A496-T498 PolarHBondContact O-N 3.09Å
497P25.8Very low25.6Very low119 Ų119151.6 Ų151.677%0.77379%0.787SS**  trans-78.6115.4-175.429.9-30.4000111.1F499P497-F499 PolarHBondContact O-N 3.25Å
498T25Very low25.6Very low137 Ų137150.5 Ų150.584%0.8478%0.781SS**  trans-79.5110.9167.7-130000108.5A496 S500A496-T498 PolarHBondContact O-N 3.09Å; T498-S500 PolarHBondContact O-N 3.05Å
499F24.1Very low25.5Very low190 Ų190149.7 Ų149.783%0.83378%0.782SS**  trans-75.591.1171.7-92.7-88.3000109.8P497P497-F499 PolarHBondContact O-N 3.25Å
500S22.6Very low25.4Very low94 Ų94147.8 Ų147.866%0.65778%0.778SS**  trans-119140.5153.9123.10000106.3T498T498-S500 PolarHBondContact O-N 3.05Å
501T22.7Very low25.3Very low133 Ų133142.7 Ų142.782%0.81678%0.776SS**  trans84.783.9-175.760.60000118
502V24.3Very low25.3Very low104 Ų104143 Ų14363%0.6378%0.78SS**  trans-147.5130.5133.7-153.70000109.9
503Y24.5Very low25Very low199 Ų199137.5 Ų137.578%0.7878%0.776SS**  trans8865.6170-57.7-70.1000119.1
504S22.7Very low25.1Very low126 Ų126137.4 Ų137.488%0.88177%0.774SS**  trans-94.8101.4135.5-68.10000108.8
505I26.8Very low24.9Very low141 Ų141138.6 Ų138.672%0.72378%0.78SS**  trans-13098.3157.9-61.2-179.3000107.1
506K25.4Very low25Very low178 Ų178137 Ų13777%0.77478%0.779SS**  trans-45131.9158.1-86.9171.5166.6173.50109.5
507N27.7Very low25Very low162 Ų162139.5 Ų139.587%0.86678%0.78SS**  trans-133.296.3144.5-130.81.9000108.8
508N25.7Very low25Very low132 Ų132143.4 Ų143.471%0.70679%0.785SS**  trans-76.1113.1163.5-77.5-15.8000107.2
509N26.5Very low25.2Very low157 Ų157143.7 Ų143.784%0.8478%0.781SS**  trans-162.9122.6140.4-113.3-10000110.7
510P25.2Very low25.4Very low107 Ų107143 Ų14370%0.69578%0.781SS**  trans-80.6156.4164.134.7-28.6000108.9
511S23.6Very low25.5Very low120 Ų120145.3 Ų145.384%0.83979%0.791SS**  trans94.686.3170.9-33.80000116.3
512S27.5Very low25.7Very low108 Ų108146.3 Ų146.376%0.75579%0.791SS**  trans-154102.7136.951.60000109.7I514S512-I514 PolarHBondContact O-N 3.43Å
513S22.2Very low25.8Very low118 Ų118148.8 Ų148.883%0.82580%0.8SS**  trans-65.1120.8164.650.40000109.2
514I26.5Very low25.9Very low138 Ų138144.7 Ų144.771%0.70880%0.797SS**  trans-121.6109.7163.5-65.7177.3000106.8S512 I516S512-I514 PolarHBondContact O-N 3.43Å; I514-I516 HydrophobicContact CG2-CG1 4.4Å; I514-I516 PolarHBondContact O-N 2.91Å
515L23.6Very low26.1Very low167 Ų167146.3 Ų146.387%0.87479%0.794SS**  trans-49127.7162.1-98.382.2000108.7
516I27.6Very low26.1Very low157 Ų157148.3 Ų148.381%0.80580%0.803SS**  trans-119.3119.1160.9-60.8-179.9000107.4I514I514-I516 HydrophobicContact CG2-CG1 4.4Å; I514-I516 PolarHBondContact O-N 2.91Å
517D25.4Very low26.1Very low143 Ų143149.5 Ų149.577%0.76581%0.808SS**  trans-55.3138.1-177.7-122.4-26.4000112.4N519D517-N519 PolarHBondContact O-N 3.07Å; D517-N519 VanDerWaalsContact O-N 3.1Å
518K26Very low26.1Very low200 Ų200146.8 Ų146.887%0.8780%0.802SS**  trans-77.786.9170.2-71.7179.9176.8179.80108.8
519N27.9Very low26.1Very low143 Ų143145.6 Ų145.677%0.76580%0.804SS**  trans-108.8104.5160.5-85.6-17.7000109.3D517 T521D517-N519 PolarHBondContact O-N 3.07Å; D517-N519 VanDerWaalsContact O-N 3.1Å; N519-T521 PolarHBondContact O-N 2.84Å; N519-T521 VanDerWaalsContact O-N 3.09Å
520E28.3Very low26.1Very low177 Ų177149.1 Ų149.183%0.82781%0.807SS**  trans-53106.3169.1-69.8175.5151.700110L522E520-L522 VanDerWaalsContact C-N 3.26Å; E520-L522 PolarHBondContact O-N 3.24Å
521T26.5Very low26.2Very low141 Ų141150.6 Ų150.687%0.86581%0.808SS**  trans-7284.3163.438.10000109.1N519 L523N519-T521 PolarHBondContact O-N 2.84Å; N519-T521 VanDerWaalsContact O-N 3.09Å; T521-L523 PolarHBondContact O-N 3.5Å
522L25.2Very low26.2Very low155 Ų155155.6 Ų155.681%0.81281%0.809SS**  trans-66.2114.1160.7-81.5161.4000108.7E520E520-L522 VanDerWaalsContact C-N 3.26Å; E520-L522 PolarHBondContact O-N 3.24Å
523L28Very low26.1Very low156 Ų156157.5 Ų157.582%0.81781%0.811SS**  trans-66.8135167.8-79160.9000109.3T521 I525T521-L523 PolarHBondContact O-N 3.5Å; L523-I525 PolarHBondContact O-N 3.18Å
524P25.8Very low26.5Very low113 Ų113157.7 Ų157.773%0.73481%0.806SS**  trans-70.6119.9-175.327.2-31.4000110.8M526P524-M526 PolarHBondContact O-N 3.03Å; P524-M526 VanDerWaalsContact O-N 3.13Å
525I26.3Very low26.4Very low160 Ų160158.3 Ų158.382%0.82181%0.811SS**  trans-69.5102.8164.9-61172.2000107.1L523 K527L523-I525 PolarHBondContact O-N 3.18Å; I525-K527 PolarHBondContact O-N 2.94Å; I525-K527 VanDerWaalsContact O-N 3.14Å
526M27.8Very low26.6Very low182 Ų182159 Ų15990%0.89780%0.803SS**  trans-66.8108167.5-78.2-176.592.700108.9P524 S528P524-M526 PolarHBondContact O-N 3.03Å; P524-M526 VanDerWaalsContact O-N 3.13Å; M526-S528 PolarHBondContact O-N 3.42Å
527K24.8Very low26.5Very low203 Ų203155.9 Ų155.988%0.88380%0.801SS**PPolyproline II helixtrans-66.9117.9160.9-74.7179.6175.11780107.9I525I525-K527 PolarHBondContact O-N 2.94Å; I525-K527 VanDerWaalsContact O-N 3.14Å
528S28.2Very low26.5Very low105 Ų105155.5 Ų155.573%0.73480%0.804SS**PPolyproline II helixtrans-74.6139.8170.776.60000110.3M526M526-S528 PolarHBondContact O-N 3.42Å
529S25.4Very low26.5Very low108 Ų108153.3 Ų153.376%0.75580%0.797SS**PPolyproline II helixtrans-78.9132.6-176.342.90000112.4
530Y25.6Very low26.4Very low231 Ų231154.7 Ų154.791%0.90680%0.796SS**  trans15.5101.6155.5-73.7-90.8000117.6R532Y530-R532 PolarHBondContact O-N 2.81Å; Y530-R532 VanDerWaalsContact O-N 3.13Å
531L27.8Very low26.2Very low137 Ų137151.7 Ų151.772%0.71780%0.795SS**  trans-65.4106.4156.8-92.4155.5000108.9N533L531-N533 PolarHBondContact O-N 3.36Å
532R24.5Very low26.3Very low226 Ų226150.6 Ų150.685%0.85379%0.79SS**  trans-65.6117.6163-89-172-175.3-170.52.3108.2Y530 V534Y530-R532 PolarHBondContact O-N 2.81Å; Y530-R532 VanDerWaalsContact O-N 3.13Å; R532-V534 HydrophobicContact CB-CG2 4.39Å; R532-V534 PolarHBondContact O-N 3.23Å
533N25.7Very low26.3Very low148 Ų148148.7 Ų148.779%0.79179%0.79SS**  trans-57.9103.1160.1-79.1-24.4000108.6L531L531-N533 PolarHBondContact O-N 3.36Å
534V28.7Very low26.1Very low121 Ų121146.5 Ų146.573%0.73379%0.787SS**  trans-97123.6168.6-177.80000108R532 Y536R532-V534 HydrophobicContact CB-CG2 4.39Å; R532-V534 PolarHBondContact O-N 3.23Å; V534-Y536 PolarHBondContact O-N 2.92Å
535D26.2Very low26Very low151 Ų151149.1 Ų149.181%0.80779%0.791SS**  trans-49.7119-171.5-68.3-61.3000115.1A537D535-A537 VanDerWaalsContact C-N 3.34Å; D535-A537 PolarHBondContact O-N 3.02Å; D535-A537 VanDerWaalsContact O-N 3.12Å
536Y26Very low25.8Very low183 Ų183151.7 Ų151.772%0.71880%0.797SS**  trans-76.487.8155.1-93.9-89.2000109.5K128 V534K128-Y536 PolarHBondContact NZ-O 2.76Å; V534-Y536 PolarHBondContact O-N 2.92Å
537A27.1Very low25.5Very low91 Ų91147.9 Ų147.975%0.75279%0.787SS**  trans-128.997.4163.200000110.1D535D535-A537 VanDerWaalsContact C-N 3.34Å; D535-A537 PolarHBondContact O-N 3.02Å; D535-A537 VanDerWaalsContact O-N 3.12Å
538T25.5Very low25.6Very low134 Ų134146 Ų14682%0.82279%0.786SS**  trans-74144.1160.817.50000110.4
539E24.3Very low25.4Very low155 Ų155147.5 Ų147.572%0.72478%0.784SS**  trans81.4102.3158.7-72.8-170.3-162.500120.5
540K27.1Very low25.3Very low172 Ų172151 Ų15175%0.74879%0.786SS**  149.3104.4104.8-91.9160.7-175.7170.90114.8
541S22.9Very low25.5Very low114 Ų114147.2 Ų147.280%0.79778%0.782SS**  trans59171133.9-42.30000120.4
542P30.4Very low25.5Very low118 Ų118147.3 Ų147.377%0.76678%0.783SS**  -122.3159.4-96.831.4-11.5000112.6
543S23.5Very low25.5Very low115 Ų115141.8 Ų141.880%0.80477%0.774SS**  trans165.3150.5145.648.20000113.4
544S25Very low25.5Very low110 Ų110141.9 Ų141.977%0.76978%0.775SS**  trans82.575.2165.474.10000118.6
545M22.7Very low25.4Very low167 Ų167141 Ų14182%0.82377%0.774SS**  30.8108.7113-157.3-165.8-60.200117.6
546F23.7Very low25.4Very low214 Ų214142.2 Ų142.294%0.93978%0.779SS**  trans-154.4117.2132.1-100.9-74.8000110.4
547C21.5Very low25.4Very low102 Ų102137.9 Ų137.969%0.68978%0.776SS**  trans-75.1158176.1-77.90000113.2
548L25.2Very low25.2Very low163 Ų163140.3 Ų140.385%0.85378%0.776SS**  trans-179.389139.1-93.3156.1000107.9
549I24.2Very low25.2Very low137 Ų137141.9 Ų141.970%0.70378%0.779SS**  86.911086.2-68.7172.3000115.5
550K24.6Very low25.1Very low181 Ų181145.7 Ų145.779%0.78779%0.787SS**  trans41124.4139.6-70.1177.9170.2176.60122.5
551N29.5Very low25Very low153 Ų153143 Ų14382%0.81879%0.789SS**  176.4152.1110.6-85.6-19.6000108.6
552N27.1Very low24.9Very low139 Ų139142.6 Ų142.674%0.74379%0.786SS**  cis-164.1143.7-36.4-154.120.3000104.5
553V24.9Very low24.7Very low109 Ų109146.8 Ų146.866%0.66179%0.788SS**  trans-28.7138.4169.3-142.50000116.8
554N25.6Very low24.7Very low151 Ų151148.3 Ų148.381%0.80779%0.787SS**  177.3129.8109.3-88.3-13000114.4
555S26.8Very low24.6Very low103 Ų103149.7 Ų149.772%0.7279%0.786SS**  trans-58.4144.7164.447.40000113.4
556L25.4Very low24.7Very low176 Ų176148.4 Ų148.492%0.92178%0.782SS**  trans-147.1132.1139.8-133.889.9000110.2
557S26Very low24.8Very low92 Ų92144.5 Ų144.564%0.64378%0.776SS**  trans-74.7169.8-175.647.40000113.7
558D22.8Very low25Very low142 Ų142148.5 Ų148.576%0.75979%0.785SS**  trans57.5101.6151.5-65.3-39.4000118
559N25.8Very low25Very low166 Ų166146.9 Ų146.989%0.88878%0.775SS**  -154.8119.4120.4-113.4-16.9000112.5
560R22Very low25.1Very low235 Ų235145.5 Ų145.589%0.88778%0.778SS**  trans-56.7132.3161.5-66.6176-178.6-152.5-0.4109
561C24.5Very low25.2Very low116 Ų116146.9 Ų146.978%0.78478%0.778SS**  trans-142.297.5150.9-104.30000109.1
562S22.6Very low25.1Very low106 Ų106146.2 Ų146.274%0.74177%0.773SS**  trans-55.2128.3154.337.30000111
563Y25.3Very low25.1Very low205 Ų205144.7 Ų144.780%0.80477%0.771SS**  trans-150.496.1152-91.4-79.7000106.5
564D22.9Very low25.1Very low148 Ų148146.7 Ų146.779%0.79178%0.777SS**  74.7128.188.2-110.3-23.5000114.3
565N24.1Very low25.1Very low138 Ų138146.6 Ų146.674%0.73877%0.774SS**  trans-48.7137.9170.2-75.1-45.8000110.2
566N24.9Very low25.1Very low141 Ų141146.8 Ų146.875%0.75477%0.771SS**  165.9121.6128-78.6-24.4000111.4
567T25.3Very low25.1Very low131 Ų131145.6 Ų145.680%0.80476%0.761SS**  trans35.588.214444.60000118.8
568E25.5Very low25.2Very low186 Ų186150.7 Ų150.787%0.86977%0.771SS**  trans-123.9100.4153.2-87.9-169.215700110.9S570E568-S570 PolarHBondContact O-N 3.5Å
569I24.8Very low25.6Very low129 Ų129151.3 Ų151.366%0.66277%0.774SS**  trans-76.795.7169.7-54.7172.4000106.8R571I569-R571 VanDerWaalsContact C-N 3.31Å; I569-R571 HydrophobicContact CG2-CG 3.66Å; I569-R571 PolarHBondContact O-N 3.41Å
570S26.6Very low25.7Very low108 Ų108147.8 Ų147.876%0.75576%0.763SS**  trans-6890169.5-19.80000109E568 I572E568-S570 PolarHBondContact O-N 3.5Å; S570-I572 PolarHBondContact O-N 3.29Å
571R27.4Very low26Very low210 Ų210146.6 Ų146.679%0.79276%0.759SS**  trans-82.8105.1171.9-65.6-172.4178.5-178.2-0.5108.6I569I569-R571 VanDerWaalsContact C-N 3.31Å; I569-R571 HydrophobicContact CG2-CG 3.66Å; I569-R571 PolarHBondContact O-N 3.41Å
572I27.8Very low26.3Very low139 Ų139146.1 Ų146.171%0.71376%0.757SS**  trans-80.3120.2161.8-60.6171.8000106.4S570 I574S570-I572 PolarHBondContact O-N 3.29Å; I572-I574 PolarHBondContact O-N 2.97Å
573P25.6Very low26.4Very low108 Ų108148.7 Ų148.770%0.70176%0.762SS**  trans-72.1121174.327.7-29.5000109.3I575P573-I575 PolarHBondContact O-N 3.47Å
574I26.2Very low26.6Very low151 Ų151145.2 Ų145.277%0.77476%0.762SS**  trans-85.3106.8164.3-59.3175.3000106.2I572 V576I572-I574 PolarHBondContact O-N 2.97Å; I574-V576 HydrophobicContact CG2-CG2 3.93Å; I574-V576 PolarHBondContact O-N 3.03Å
575I25.7Very low26.7Very low148 Ų148142.7 Ų142.776%0.75976%0.757SS**  trans-82.2106.5168.8-60.6173.8000106.8P573P573-I575 PolarHBondContact O-N 3.47Å
576V26.5Very low27.1Very low107 Ų107142.3 Ų142.365%0.64876%0.762SS**  trans-87.7107.2167.8-177.50000107.3I574 K578I574-V576 HydrophobicContact CG2-CG2 3.93Å; I574-V576 PolarHBondContact O-N 3.03Å; V576-K578 PolarHBondContact O-N 3.21Å
577Q25.2Very low27.2Very low151 Ų151142.4 Ų142.471%0.70676%0.761SS**  trans-63.5121.5169.7-81.9-179.9-29.800109N579Q577-N579 PolarHBondContact O-N 3.13Å
578K28.9Very low27.3Very low200 Ų200143 Ų14387%0.8776%0.759SS**THydrogen-bonded Turntrans-67.510-172.3-116-179.9179-177.90115.4V576V576-K578 PolarHBondContact O-N 3.21Å
579N29.9Very low27.5Very low154 Ų154141 Ų14182%0.82475%0.754SS**THydrogen-bonded Turntrans-12012.2-168-64.34.6000114.7Q577Q577-N579 PolarHBondContact O-N 3.13Å
580S28.5Very low27.8Very low93 Ų93141.4 Ų141.465%0.6576%0.758SS**  trans-112.622.7-174-46.90000115.1
581W28.9Very low28.1Very low209 Ų209144.3 Ų144.379%0.79277%0.765SS**  trans-96.491172-72.5-11.9000110.8K192K192-W581 HydrophobicContact CD-CZ2 4.47Å
582S29.8Very low28.4Very low106 Ų106144 Ų14474%0.74177%0.769SS**  trans-105121158.855.40000109.3T584S582-T584 PolarHBondContact O-N 3.15Å
583N25.5Very low28.6Very low161 Ų161145 Ų14586%0.86178%0.776SS**  trans-35.3116.8173.4-65.7-27.3000113.4
584T29Very low28.8Very low131 Ų131146.8 Ų146.880%0.80478%0.779SS**  trans-128.997153.246.60000108S582S582-T584 PolarHBondContact O-N 3.15Å
585S25.7Very low29Very low96 Ų96146.3 Ų146.367%0.67178%0.779SS**  trans-61.5149.7157.2-56.20000108.6I587S585-I587 PolarHBondContact O-N 3.29Å; S585-I587 VanDerWaalsContact O-N 3.08Å
586P31.3Very low29.3Very low130 Ų130146.1 Ų146.184%0.84478%0.779SS**  trans-64.2115.5178.725.9-30.8000109.3N588P586-N588 PolarHBondContact O-N 3.48Å
587I27.7Very low29.4Very low143 Ų143147.9 Ų147.973%0.73379%0.785SS**  trans-68.1115.8175.6-65.3172.8000108.1S585 N589S585-I587 PolarHBondContact O-N 3.29Å; S585-I587 VanDerWaalsContact O-N 3.08Å; I587-N589 WeakPolarHBondContact CG2-OD1 3.41Å; I587-N589 PolarHBondContact O-N 2.87Å
588N28.1Very low29.7Very low142 Ų142146.1 Ų146.176%0.75979%0.789SS**  trans-69.8100.8165.6175.818.9000108.7P586 N590P586-N588 PolarHBondContact O-N 3.48Å; N588-N590 PolarHBondContact O-N 3.1Å; N588-N590 VanDerWaalsContact O-N 3.14Å
589N28.4Very low29.7Very low145 Ų145143.5 Ų143.578%0.77579%0.785SS**  trans-80.890173-86.7-9.6000109.7I587I587-N589 WeakPolarHBondContact CG2-OD1 3.41Å; I587-N589 PolarHBondContact O-N 2.87Å
590N30.4Very low29.7Very low138 Ų138147.4 Ų147.474%0.73879%0.789SS**  trans-145.166.4163.9-138.614.6000109.9N588N588-N590 PolarHBondContact O-N 3.1Å; N588-N590 VanDerWaalsContact O-N 3.14Å
591D35Very low29.8Very low168 Ų168147.8 Ų147.890%0.89879%0.792SS**  trans-136.6105.8163-94.3-33.3000110.5
592K32.1Very low29.6Very low203 Ų203143.7 Ų143.788%0.88379%0.79SS**  trans-67.4121.6159.9-77171.9173.2173.20107.9
593N32.7Very low29.6Very low162 Ų162147.3 Ų147.387%0.86680%0.795SS**  trans-157.5132.5140.4-134.5-12.2000113.5
594N30.1Very low29.6Very low144 Ų144148 Ų14877%0.7779%0.793SS**  trans-67.1142.7175.7-73.2-30.2000111.8
595N30.8Very low29.8Very low142 Ų142148.1 Ų148.176%0.75979%0.794SS**  179.6119119.8-106.5-22.2000113.6
596N31.9Very low29.9Very low143 Ų143150.5 Ų150.577%0.76580%0.799SS**  trans39.3111132-66.7-11.9000122.1
597N28.8Very low29.7Very low145 Ų145148.8 Ų148.878%0.77579%0.79SS**  62.5111.8107.8-146.716.5000119.9
598S31.5Very low29.7Very low113 Ų113149.2 Ų149.279%0.7979%0.794SS**  trans-161.1116.5138.461.80000111.9
599N27Very low29.8Very low146 Ų146149 Ų14978%0.78180%0.798SS**  trans-74.4140.4165.9-79.1-27.7000111.9
600Y30.8Very low29.8Very low235 Ų235150 Ų15092%0.92280%0.8SS**  trans-166.9146.4150-92.3-81.6000105.7
601S29.7Very low29.6Very low101 Ų101151 Ų15171%0.70680%0.804SS**  cis-177.2140.8-20.8168.10000103.6
602T26.6Very low29.3Very low123 Ų123147.5 Ų147.576%0.75579%0.794SS**  trans-54.1147.3177.939.10000115.7
603H28.9Very low29Very low183 Ų183145.2 Ų145.285%0.84779%0.791SS**  trans-144.9104.5144.4-137.2-54.9000109.8
604E26.3Very low28.8Very low174 Ų174142.8 Ų142.881%0.81378%0.778SS**  trans-73144.4159.9-67.4172.5147.400109.1
605V32.3Very low28.7Very low135 Ų135142.6 Ų142.682%0.81878%0.777SS**  trans-150.6132.2142-177.60000109.4
606D26.7Very low28.5Very low145 Ų145145.6 Ų145.678%0.77578%0.779SS**  trans-65.6165.1-171.2-80.1-53.4000119.9
607S28.8Very low28.3Very low94 Ų94149.8 Ų149.866%0.65778%0.784SS**  trans84.7127.2130.958.70000122.6
608D26.1Very low28.2Very low152 Ų152148.3 Ų148.381%0.81378%0.781SS**  trans69.592.3138.7-61.9-17.5000120.5
609V32Very low28Very low139 Ų139150 Ų15084%0.84278%0.78SS**  trans-153.2106.9133.3-177.80000111.2
610M28.2Very low28Very low166 Ų166154.5 Ų154.582%0.81879%0.788SS**  trans28.3112.8134-62.5-71.7-165.600120S612M610-S612 PolarHBondContact O-N 3Å
611N24.6Very low28Very low157 Ų157155 Ų15584%0.8479%0.788SS**  33.487.9119.4-153.616.1000116.8
612S29.3Very low27.9Very low96 Ų96158.9 Ų158.967%0.67180%0.795SS**  trans-139.8110.1149.364.70000110.9M610 N614M610-S612 PolarHBondContact O-N 3Å; S612-N614 PolarHBondContact O-N 3.36Å
613N25.3Very low27.9Very low154 Ų154158.8 Ų158.882%0.82480%0.799SS**  trans-55.496.3161.9-160.816.2000107.9
614N29.7Very low27.9Very low111 Ų111158.4 Ų158.459%0.59480%0.803SS**  trans-138.9118.7174.3-98.9-22.2000112S612 Y616S612-N614 PolarHBondContact O-N 3.36Å; N614-Y616 WeakPolarHBondContact O-CD2 3.35Å; N614-Y616 PolarHBondContact O-N 2.94Å; N614-Y616 VanDerWaalsContact O-N 3.1Å
615N28Very low28Very low140 Ų140157.8 Ų157.875%0.74980%0.804SS**  trans-48.3102172.2-67.5-52.3000112.2R617N615-R617 VanDerWaalsContact C-N 3.3Å; N615-R617 PolarHBondContact O-N 3.42Å
616Y26.6Very low27.8Very low205 Ų205157.9 Ų157.980%0.80480%0.8SS**  trans-98.262.7158.2-70.6-79.8000109.3N614N614-Y616 WeakPolarHBondContact O-CD2 3.35Å; N614-Y616 PolarHBondContact O-N 2.94Å; N614-Y616 VanDerWaalsContact O-N 3.1Å
617R26.2Very low27.8Very low231 Ų231158 Ų15887%0.87280%0.801SS**  trans-122.245.9168.9-161.6-173.8-178.5165.92.6109.7N615N615-R617 VanDerWaalsContact C-N 3.3Å; N615-R617 PolarHBondContact O-N 3.42Å
618T27.5Very low27.8Very low115 Ų115159.7 Ų159.771%0.70680%0.802SS**  trans-176.9104.7175.725.90000105.9
619L26.9Very low27.8Very low149 Ų149161.8 Ų161.878%0.7881%0.807SS**SBendtrans175.965.1157.8-94.3173.1000107.7
620Y27.7Very low27.5Very low239 Ų239161.2 Ų161.294%0.93780%0.804SS**SBendtrans-177.956.9154.3-96.8-69.3000107.2
621R30.3Very low27.3Very low245 Ų245165.4 Ų165.493%0.92581%0.81SS**SBendtrans-144.56.5171.9-122.8-172.3-171.9-171.93.4114.9
622E27.5Very low27.5Very low184 Ų184163.1 Ų163.186%0.8681%0.807SS**SBendtrans-142.386.8-179.4-73.4179.1160.100109.1
623S27.4Very low27.3Very low120 Ų120163.6 Ų163.684%0.83981%0.81SS**SBendtrans-162.310.6165.1-79.60000114.7
624L29.1Very low27.3Very low176 Ų176166.4 Ų166.492%0.92182%0.815SS**SBendtrans-132.226.7174.4-72.4173.7000113.4
625L27.7Very low27.3Very low160 Ų160169.6 Ų169.684%0.83883%0.826SS**  trans-11081.1161.3-73.8166.9000106.7
626N28.6Very low27Very low138 Ų138170.5 Ų170.574%0.73883%0.831SS**  trans-129.188.7160.1-142.216.1000106.5N628N626-N628 PolarHBondContact O-N 2.98Å
627D27.2Very low27.1Very low148 Ų148168.4 Ų168.479%0.79183%0.832SS**  trans-57.499.1162.7-72.7-43.1000107.6
628N28.2Very low27Very low128 Ų128163.9 Ų163.968%0.68482%0.824SS**  trans-136.8111.3161.3-87.1-43.8000108.7N626 V630N626-N628 PolarHBondContact O-N 2.98Å; N628-V630 PolarHBondContact O-N 3.33Å
629E25.3Very low27Very low196 Ų196163.1 Ų163.192%0.91682%0.823SS**  trans-41.8109.9173.6-64.1172.6125.700112.2
630V27.2Very low27.1Very low127 Ų127167.7 Ų167.777%0.7783%0.83SS**  trans-126.190.8158.8-175.70000108.5N628 S632N628-V630 PolarHBondContact O-N 3.33Å; V630-S632 PolarHBondContact O-N 2.99Å
631R23.8Very low27.1Very low254 Ų254159.2 Ų159.296%0.95882%0.816SS**  trans-5098.8168.9-157.9175.4-172.9168.51.6109.2
632S27.4Very low26.9Very low109 Ų109153.7 Ų153.776%0.76281%0.814SS**  trans-109.5137.3174.351.60000111.2V630V630-S632 PolarHBondContact O-N 2.99Å
633S25.8Very low26.9Very low106 Ų106152.7 Ų152.774%0.74181%0.813SS**  trans-59.5138.4-160.941.90000115.7Q635S633-Q635 PolarHBondContact O-N 3.23Å
634K25.7Very low27Very low213 Ų213152.7 Ų152.793%0.92681%0.81SS**  trans-32.8105.4165.4-73.2176.2174.1178.80112.1
635Q28.4Very low27.1Very low179 Ų179149.3 Ų149.384%0.83680%0.802SS**  trans-101.9119.3159.4-84.1-178.2-20.900108.1S633 I637S633-Q635 PolarHBondContact O-N 3.23Å; Q635-I637 PolarHBondContact O-N 3Å
636N23.7Very low27.3Very low159 Ų159147.5 Ų147.585%0.8580%0.799SS**  trans-55104.1178-78.7-27000110.5I638N636-I638 PolarHBondContact O-N 3.47Å
637I27.1Very low27.5Very low161 Ų161148.5 Ų148.583%0.82680%0.803SS**  trans-76.9100.9160.8-61.7172.4000105.6Q635 S639Q635-I637 PolarHBondContact O-N 3Å; I637-S639 VanDerWaalsContact C-N 3.33Å; I637-S639 PolarHBondContact O-N 2.96Å
638I25.1Very low27.9Very low135 Ų135147.1 Ų147.169%0.69280%0.8SS**  trans-69.699.5164.4-62.7173.1000105.9N636 W640N636-I638 PolarHBondContact O-N 3.47Å; I638-W640 PolarHBondContact O-N 3.38Å
639S26.7Very low28.4Very low100 Ų100149.3 Ų149.370%0.69981%0.806SS**  trans-63.5113.4164.9-174.50000106.9I637 G641I637-S639 VanDerWaalsContact C-N 3.33Å; I637-S639 PolarHBondContact O-N 2.96Å; S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 2.77Å
640W30.3Very low29.1Very low244 Ų244148.2 Ų148.292%0.92480%0.801SS**  trans-64.398.7167.3-76.772.2000107.1I638I638-W640 PolarHBondContact O-N 3.38Å
641G26.5Very low29.7Very low62 Ų62151 Ų15164%0.63981%0.806SS**PPolyproline II helixtrans-66.8139.4178.600000110.4S639 L643S639-G641 VanDerWaalsContact C-N 3.3Å; S639-G641 PolarHBondContact O-N 2.77Å; G641-L643 PolarHBondContact O-N 3.19Å
642C27.2Very low30.3Very low129 Ų129146.6 Ų146.687%0.87280%0.801SS**PPolyproline II helixtrans-49.6123.3163.5-62.20000108.9
643L27.4Very low30.7Very low163 Ų163154.2 Ų154.285%0.85383%0.825SS**PPolyproline II helixtrans-55.3132165.8-75.4161.7000108.3G641 S645G641-L643 PolarHBondContact O-N 3.19Å; L643-S645 PolarHBondContact O-N 3.4Å
644P28.6Very low31Very low119 Ų119156.6 Ų156.677%0.77383%0.829SS**PPolyproline II helixtrans-66.4130.3169.727-29.2000108.4
645S32Very low31.2Very low106 Ų106153.6 Ų153.674%0.74182%0.824SS**PPolyproline II helixtrans-52.5148.2171-59.70000110.8L643 I647L643-S645 PolarHBondContact O-N 3.4Å; S645-I647 PolarHBondContact O-N 3.3Å
646P30.7Very low31.4Very low122 Ų122152.2 Ų152.279%0.79282%0.823SS**PPolyproline II helixtrans-62132178.826.3-31.7000109.7T648P646-T648 PolarHBondContact O-N 3Å; P646-T648 VanDerWaalsContact O-N 3.11Å
647I33.3Very low31.8Very low158 Ų158151.8 Ų151.881%0.8182%0.821SS**  trans-63.5108.4169.8-64165.3000106.3S645 E649S645-I647 PolarHBondContact O-N 3.3Å; I647-E649 PolarHBondContact O-N 3.05Å
648T35.4Very low32.1Very low120 Ų120151.3 Ų151.374%0.73682%0.821SS**  trans-70.5112.1158.332.90000106.9P646 E650P646-T648 PolarHBondContact O-N 3Å; P646-T648 VanDerWaalsContact O-N 3.11Å; T648-E650 PolarHBondContact O-N 3.48Å; T648-E650 VanDerWaalsContact O-N 3.1Å
649E38.6Very low32.6Very low174 Ų174152.3 Ų152.381%0.81383%0.83SS**  trans-62.4104.1160.9-68.6177.5170.100106.7I647 E651I647-E649 PolarHBondContact O-N 3.05Å; E649-E651 PolarHBondContact O-N 2.92Å
650E39.6Very low33Very low173 Ų173156.1 Ų156.181%0.80884%0.839SS**  trans-73.9109.9156.4-72.7-172.9164.700105.7T648 D652T648-E650 PolarHBondContact O-N 3.48Å; T648-E650 VanDerWaalsContact O-N 3.1Å; E650-D652 PolarHBondContact O-N 3.05Å
651E41.2Very low33.2Very low186 Ų186149.3 Ų149.387%0.86983%0.832SS**  trans-66.7110.4164.4-74.5179.615600107.6E649 E653E649-E651 PolarHBondContact O-N 2.92Å; E651-E653 PolarHBondContact O-N 3.42Å
652D36.1Very low33.8Very low161 Ų161156.6 Ų156.686%0.86185%0.848SS**  trans-68.3108.8163.8-81.2-39.8000109.2E650E650-D652 PolarHBondContact O-N 3.05Å
653E35.8Very low34.4Very low268 Ų268159.1 Ų159.1100%1.25285%0.846SS**  trans-132.20146.2-100-166174.100110.6E651E651-E653 PolarHBondContact O-N 3.42Å

Retrieved 653 of 653 residues in 88.9 ms (Link to these results)

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