A0A077ZDW1_TRITR Loading...

Tar rna binding protein isoform

AlphaFold DB , UniProt , Accession A0A077ZDW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 362 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
1M29.7Very low35.1Very low247 Ų247136 Ų136100%1.21774%0.739SS**  0118.40-82.8169.9-176.800106.6
2L27.5Very low38.6Very low175 Ų175127.4 Ų127.492%0.91670%0.696SS**  trans-65.1143.6-174.1-80.8155.9000111.3E4L2-E4 PolarHBondContact O-N 2.73Å
3M26.4Very low41.7Very low173 Ų173118 Ų11885%0.85265%0.645SS**  trans-40.9120.6174.6-71.9166156.500113.4
4E24.7Very low44.6Very low192 Ų192112.3 Ų112.390%0.89762%0.616SS**  trans-95.997.8152.9-72.4-168.8147.600107.7L2 P6L2-E4 PolarHBondContact O-N 2.73Å; E4-P6 VanDerWaalsContact O-CD 3.31Å; E4-P6 WeakPolarHBondContact O-CD 3.25Å
5C23.4Very low47.3Very low106 Ų106106.9 Ų106.972%0.71660%0.596SS**  trans-74.5112.3165.9-64.80000108N7C5-N7 PolarHBondContact O-N 3.35Å
6P32.6Very low49.6Very low101 Ų101100.8 Ų100.866%0.65656%0.562SS**  trans-85.5108.9-175.831.9-26.9000109.8E4 S8E4-P6 VanDerWaalsContact O-CD 3.31Å; E4-P6 WeakPolarHBondContact O-CD 3.25Å; P6-S8 PolarHBondContact O-N 2.8Å
7N33Very low51.7Low140 Ų14094.8 Ų94.875%0.74953%0.529SS*.  trans38.379152.8-66.2-28.8000116.1C5 K11C5-N7 PolarHBondContact O-N 3.35Å; N7-K11 WeakPolarHBondContact O-CE 3.42Å; N7-K11 PolarHBondContact O-NZ 3.3Å; N7-K11 VanDerWaalsContact O-NZ 3.09Å
8S36.2Very low53.5Low71 Ų7195.4 Ų95.450%0.49753%0.527SS..  trans-109-2.2178.956.40000115.9P6 N10P6-S8 PolarHBondContact O-N 2.8Å; S8-N10 PolarHBondContact O-N 2.78Å
9C40.4Very low55.1Low92 Ų9294.4 Ų94.462%0.62252%0.518SS*.THydrogen-bonded Turntrans-88.1-0.7-16275.30000118.3Q106C9-Q106 PolarHBondContact O-NE2 3.03Å; C9-Q106 PolarHBondContact O-OE1 3.02Å
10N48.5Very low56.5Low140 Ų14090.2 Ų90.275%0.74949%0.494SS*.THydrogen-bonded Turntrans-143.925-179.8-79.7-36.7000114.2S8S8-N10 PolarHBondContact O-N 2.78Å
11K63.1Low57.8Low59 Ų5985.9 Ų85.926%0.25747%0.471SS..  trans-83.7128.7-175.3-72.5175.9172.6173.60110.2N7 V16 E19 L103N7-K11 WeakPolarHBondContact O-CE 3.42Å; N7-K11 PolarHBondContact O-NZ 3.3Å; N7-K11 VanDerWaalsContact O-NZ 3.09Å; K11-V16 HydrophobicContact CB-CG2 3.78Å; K11-E19 WeakPolarHBondContact CD-OE2 3.31Å; K11-E19 WeakPolarHBondContact CE-OE2 3.14Å; K11-E19 IonicContact NZ-OE1 2.78Å; K11-E19 PolarHBondContact NZ-OE1 3.19Å; K11-E19 IonicContact NZ-OE2 2.72Å; K11-E19 PolarHBondContact NZ-OE2 3.31Å; K11-L103 WeakPolarHBondContact O-CD2 3.49Å
12S77.7Confident60.3Low33 Ų3377.2 Ų77.223%0.23144%0.435CS..  trans-68.1152.7173.9126.90000110.1V14 G15 V16 Q67S12-V14 PolarHBondContact O-N 3.25Å; S12-V14 VanDerWaalsContact O-N 3.1Å; S12-V14 PolarHBondContact OG-N 3.49Å; S12-G15 VanDerWaalsContact O-CA 3.31Å; S12-G15 WeakPolarHBondContact O-CA 3.23Å; S12-G15 PolarHBondContact O-N 3.15Å; S12-V16 PolarHBondContact O-N 2.64Å; S12-Q67 PolarHBondContact OG-NE2 3.27Å
13P78.7Confident62.9Low5 Ų576.2 Ų76.23%0.03242%0.423CS..Hα-helixtrans-52.3-37.2179.3-25.431000113.2G15 V16 L17 Q67 A70 A71 N107P13-G15 VanDerWaalsContact C-N 3.33Å; P13-G15 PolarHBondContact O-N 3.21Å; P13-V16 PolarHBondContact O-N 2.88Å; P13-L17 WeakPolarHBondContact O-CB 3.26Å; P13-L17 PolarHBondContact O-N 3.07Å; P13-Q67 HydrophobicContact CG-CB 4.46Å; P13-A70 HydrophobicContact CB-CB 4.25Å; P13-A71 HydrophobicContact CB-CB 4.13Å; P13-A71 HydrophobicContact CG-CB 4.46Å; P13-N107 WeakPolarHBondContact CD-ND2 3.45Å
14V83.1Confident65.4Low38 Ų3871.3 Ų71.323%0.2340%0.395CS..Hα-helixtrans-63.2-39173.7178.40000111.7S12 H18 K66 Q67 A70S12-V14 PolarHBondContact O-N 3.25Å; S12-V14 VanDerWaalsContact O-N 3.1Å; S12-V14 PolarHBondContact OG-N 3.49Å; V14-H18 VanDerWaalsContact O-CB 3.27Å; V14-H18 WeakPolarHBondContact O-CB 3.03Å; V14-H18 PolarHBondContact O-N 3.13Å; V14-K66 HydrophobicContact CG2-CB 4.19Å; V14-Q67 HydrophobicContact CG2-CB 4.42Å; V14-Q67 HydrophobicContact CG2-CG 3.87Å; V14-A70 HydrophobicContact CG2-CB 4.01Å
15G83.9Confident68.1Low31 Ų3173.5 Ų73.532%0.3240%0.395SS..Hα-helixtrans-69.2-42.8179.400000111.8S12 P13 H18 E19S12-G15 VanDerWaalsContact O-CA 3.31Å; S12-G15 WeakPolarHBondContact O-CA 3.23Å; S12-G15 PolarHBondContact O-N 3.15Å; P13-G15 VanDerWaalsContact C-N 3.33Å; P13-G15 PolarHBondContact O-N 3.21Å; G15-H18 PolarHBondContact O-N 3.14Å; G15-E19 WeakPolarHBondContact O-CB 2.92Å; G15-E19 PolarHBondContact O-N 3.06Å
16V84.3Confident70.7Confident9 Ų970 Ų706%0.05537%0.37CS..Hα-helixtrans-61.2-47.8174.11780000110.2K11 S12 P13 H18 E19 L20 L74 F99 L103K11-V16 HydrophobicContact CB-CG2 3.78Å; S12-V16 PolarHBondContact O-N 2.64Å; P13-V16 PolarHBondContact O-N 2.88Å; V16-H18 VanDerWaalsContact C-N 3.33Å; V16-H18 PolarHBondContact O-N 2.86Å; V16-E19 PolarHBondContact O-N 3.01Å; V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.48Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.94Å; V16-L74 HydrophobicContact CB-CD1 4.43Å; V16-L74 HydrophobicContact CG1-CD1 4.21Å; V16-F99 HydrophobicContact CG1-CE1 4.42Å; V16-L103 HydrophobicContact CG2-CD1 3.9Å; V16-L103 HydrophobicContact CG2-CD2 4.2Å
17L86.1Confident72.9Confident0 Ų071.9 Ų71.90%037%0.373CS..Hα-helixtrans-58-46.7176.3-170.977000111.5P13 E19 L20 C21 P28 Y30 V48 V50 A70 L73 L74 W86P13-L17 WeakPolarHBondContact O-CB 3.26Å; P13-L17 PolarHBondContact O-N 3.07Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 3.46Å; L17-C21 WeakPolarHBondContact O-CB 3.37Å; L17-C21 PolarHBondContact O-N 2.89Å; L17-C21 PolarHBondContact O-SG 3.25Å; L17-P28 HydrophobicContact CD2-CB 4.11Å; L17-Y30 VanDerWaalsContact CD2-OH 3.26Å; L17-Y30 WeakPolarHBondContact CD2-OH 3.43Å; L17-V48 HydrophobicContact CD2-CG2 3.74Å; L17-V50 HydrophobicContact CD2-CG2 4.22Å; L17-A70 HydrophobicContact CB-CB 4.27Å; L17-A70 HydrophobicContact CD2-CB 4.05Å; L17-L73 HydrophobicContact CD1-CD2 3.36Å; L17-L73 HydrophobicContact CD2-CD2 4.35Å; L17-L73 HydrophobicContact CG-CD2 4.48Å; L17-L74 HydrophobicContact CB-CD1 4.48Å; L17-L74 HydrophobicContact CD1-CD2 3.59Å; L17-L74 HydrophobicContact CD1-CG 3.86Å; L17-W86 HydrophobicContact CD1-CZ3 4.03Å
18H83.7Confident75.4Confident106 Ų10665.9 Ų65.949%0.49134%0.342SS..Hα-helixtrans-62.1-38.2179.7-169.379.6000112.6V14 G15 V16 S22V14-H18 VanDerWaalsContact O-CB 3.27Å; V14-H18 WeakPolarHBondContact O-CB 3.03Å; V14-H18 PolarHBondContact O-N 3.13Å; G15-H18 PolarHBondContact O-N 3.14Å; V16-H18 VanDerWaalsContact C-N 3.33Å; V16-H18 PolarHBondContact O-N 2.86Å; H18-S22 VanDerWaalsContact O-CB 3.28Å; H18-S22 WeakPolarHBondContact O-CB 3.33Å; H18-S22 PolarHBondContact O-N 3.44Å; H18-S22 PolarHBondContact O-OG 3.15Å
19E83.6Confident77.8Confident76 Ų7666.4 Ų66.436%0.35534%0.342SS..Hα-helixtrans-68.2-41.6178.2-160.5172.9-158.700111.6K11 G15 V16 L17 S22 K23K11-E19 WeakPolarHBondContact CD-OE2 3.31Å; K11-E19 WeakPolarHBondContact CE-OE2 3.14Å; K11-E19 IonicContact NZ-OE1 2.78Å; K11-E19 PolarHBondContact NZ-OE1 3.19Å; K11-E19 IonicContact NZ-OE2 2.72Å; K11-E19 PolarHBondContact NZ-OE2 3.31Å; G15-E19 WeakPolarHBondContact O-CB 2.92Å; G15-E19 PolarHBondContact O-N 3.06Å; V16-E19 PolarHBondContact O-N 3.01Å; L17-E19 VanDerWaalsContact C-N 3.31Å; L17-E19 PolarHBondContact O-N 3.36Å; E19-S22 PolarHBondContact O-N 3.09Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.36Å; E19-K23 VanDerWaalsContact O-N 3.14Å
20L83.9Confident80Confident9 Ų964.5 Ų64.55%0.04732%0.322CS..Hα-helixtrans-64.5-45.6174.6-65.3165.9000111.3V16 L17 S22 K23 R24 L74 W86 G87 L88V16-L20 HydrophobicContact CG1-CD1 3.93Å; V16-L20 HydrophobicContact CG1-CG 4.48Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.94Å; L17-L20 PolarHBondContact O-N 3.46Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 2.64Å; L20-K23 PolarHBondContact O-N 3.15Å; L20-R24 PolarHBondContact O-N 2.71Å; L20-L74 HydrophobicContact CD1-CD2 3.51Å; L20-W86 WeakPolarHBondContact CD2-O 3.33Å; L20-G87 WeakPolarHBondContact CD2-O 3.27Å; L20-L88 HydrophobicContact CD1-CD2 4.03Å; L20-L88 HydrophobicContact CD1-CG 3.94Å
21C83.3Confident81.6Confident1 Ų162.4 Ų62.41%0.00731%0.308CS..Hα-helixtrans-63.1-41177.2-64.10000111.6L17 K23 R24 R25 V26 P28 V50L17-C21 WeakPolarHBondContact O-CB 3.37Å; L17-C21 PolarHBondContact O-N 2.89Å; L17-C21 PolarHBondContact O-SG 3.25Å; C21-K23 VanDerWaalsContact C-N 3.34Å; C21-K23 PolarHBondContact O-N 2.88Å; C21-R24 CarbonylContact O-C 3.58Å; C21-R24 PolarHBondContact O-N 3.47Å; C21-R24 VanDerWaalsContact O-N 3.12Å; C21-R25 PolarHBondContact O-N 2.99Å; C21-V26 CarbonylContact C-O 3.51Å; C21-V26 VanDerWaalsContact C-O 3.29Å; C21-V26 VanDerWaalsContact CB-O 3.24Å; C21-V26 WeakPolarHBondContact CB-O 3.48Å; C21-V26 PolarHBondContact O-N 2.9Å; C21-V26 VanDerWaalsContact O-O 3.09Å; C21-P28 HydrophobicContact CB-CG 4.22Å; C21-V50 VanDerWaalsContact SG-CG1 3.51Å
22S81.9Confident82.7Confident65 Ų6562.9 Ų62.946%0.45531%0.313SS..Hα-helixtrans-61.8-40.3178.2-64.40000112.3H18 E19 L20 R24 R25H18-S22 VanDerWaalsContact O-CB 3.28Å; H18-S22 WeakPolarHBondContact O-CB 3.33Å; H18-S22 PolarHBondContact O-N 3.44Å; H18-S22 PolarHBondContact O-OG 3.15Å; E19-S22 PolarHBondContact O-N 3.09Å; L20-S22 VanDerWaalsContact C-N 3.34Å; L20-S22 PolarHBondContact O-N 2.64Å; S22-R24 VanDerWaalsContact C-N 3.28Å; S22-R24 PolarHBondContact O-N 3.39Å; S22-R25 PolarHBondContact O-N 3.38Å; S22-R25 VanDerWaalsContact O-N 3.15Å
23K81.7Confident82.8Confident154 Ų15465.2 Ų65.267%0.6732%0.322SS*.Hα-helixtrans-62.1-37.1175.1-73.6177.4-178178.80112.1E19 L20 C21 R25E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 3.36Å; E19-K23 VanDerWaalsContact O-N 3.14Å; L20-K23 PolarHBondContact O-N 3.15Å; C21-K23 VanDerWaalsContact C-N 3.34Å; C21-K23 PolarHBondContact O-N 2.88Å; K23-R25 VanDerWaalsContact C-N 3.3Å
24R80Confident82.5Confident69 Ų6966.5 Ų66.526%0.2633%0.334SS..Hα-helixtrans-82.3-2.8176.9-71.3-175.1155.8-141.4-4.4114.1L20 C21 S22 V26 E51 E85 W86L20-R24 PolarHBondContact O-N 2.71Å; C21-R24 CarbonylContact O-C 3.58Å; C21-R24 PolarHBondContact O-N 3.47Å; C21-R24 VanDerWaalsContact O-N 3.12Å; S22-R24 VanDerWaalsContact C-N 3.28Å; S22-R24 PolarHBondContact O-N 3.39Å; R24-V26 HydrophobicContact CB-CG2 4.08Å; R24-V26 PolarHBondContact O-N 3.03Å; R24-E51 IonicContact CZ-OE2 2.72Å; R24-E51 IonicContact NH1-OE2 2.63Å; R24-E51 PolarHBondContact NH1-OE2 2.85Å; R24-E85 IonicContact CZ-OE2 3.75Å; R24-E85 PolarHBondContact NE-O 2.88Å; R24-E85 IonicContact NH1-OE2 2.69Å; R24-E85 VanDerWaalsContact NH2-CB 3.25Å; R24-E85 VanDerWaalsContact NH2-CD 3.26Å; R24-E85 PolarHBondContact NH2-O 3.25Å; R24-E85 IonicContact NH2-OE2 2.71Å; R24-E85 PolarHBondContact NH2-OE2 3.42Å; R24-W86 VanDerWaalsContact CZ-CD1 3.46Å
25R80.5Confident82.5Confident239 Ų23968 Ų6890%0.90235%0.346SS*.THydrogen-bonded Turntrans59.131-172.7-53.9-177.3175.8-140.4-0.3113.5C21 S22 K23C21-R25 PolarHBondContact O-N 2.99Å; S22-R25 PolarHBondContact O-N 3.38Å; S22-R25 VanDerWaalsContact O-N 3.15Å; K23-R25 VanDerWaalsContact C-N 3.3Å
26V78.9Confident81.8Confident32 Ų3273.7 Ų73.719%0.19436%0.364CS..  trans-108.3146.6176.1-1770000109C21 R24 V50 E51C21-V26 CarbonylContact C-O 3.51Å; C21-V26 VanDerWaalsContact C-O 3.29Å; C21-V26 VanDerWaalsContact CB-O 3.24Å; C21-V26 WeakPolarHBondContact CB-O 3.48Å; C21-V26 PolarHBondContact O-N 2.9Å; C21-V26 VanDerWaalsContact O-O 3.09Å; R24-V26 HydrophobicContact CB-CG2 4.08Å; R24-V26 PolarHBondContact O-N 3.03Å; V26-V50 HydrophobicContact CG1-CG1 4.09Å; V26-E51 HydrophobicContact CB-CG 4.21Å; V26-E51 HydrophobicContact CG1-CG 3.79Å; V26-E51 HydrophobicContact CG2-CG 3.61Å; V26-E51 WeakPolarHBondContact CG2-OE1 3.21Å
27I79.4Confident80.8Confident141 Ų14175.9 Ų75.972%0.72339%0.388SS*.  trans-106.9120.4177.5-58.2173.7000108.3V29I27-V29 PolarHBondContact O-N 3.32Å
28P85.7Confident79.5Confident14 Ų1483.2 Ų83.29%0.09142%0.42CS..  trans-71.1124.8176.327.5-30.8000110.3L17 C21 Y30 V48 V50L17-P28 HydrophobicContact CD2-CB 4.11Å; C21-P28 HydrophobicContact CB-CG 4.22Å; P28-Y30 HydrophobicContact CB-CE2 4.11Å; P28-Y30 HydrophobicContact CG-CE2 4.27Å; P28-V48 HydrophobicContact CB-CG2 4.41Å; P28-V50 HydrophobicContact CB-CG2 3.64Å
29V86.5Confident78.6Confident82 Ų8285.2 Ų85.250%0.49744%0.44SS..EExtended strand (participates in β ladder)trans-92.4126177.8-178.40000108.7I27 V48 I49I27-V29 PolarHBondContact O-N 3.32Å; V29-V48 CarbonylContact O-C 3.48Å; V29-V48 VanDerWaalsContact O-CA 3.31Å; V29-V48 WeakPolarHBondContact O-CA 3.44Å; V29-I49 PolarHBondContact N-O 3.48Å; V29-I49 PolarHBondContact O-N 3.26Å
30Y85.3Confident77.6Confident52 Ų5289 Ų8920%0.20446%0.458CS..EExtended strand (participates in β ladder)trans-111.1121.1175.6-73-87.5000110.3L17 P28 R47 V48 K66L17-Y30 VanDerWaalsContact CD2-OH 3.26Å; L17-Y30 WeakPolarHBondContact CD2-OH 3.43Å; P28-Y30 HydrophobicContact CB-CE2 4.11Å; P28-Y30 HydrophobicContact CG-CE2 4.27Å; Y30-R47 CarbonylContact C-O 3.55Å; Y30-R47 WeakPolarHBondContact CA-O 3.43Å; Y30-V48 HydrophobicContact CD1-CB 3.8Å; Y30-V48 HydrophobicContact CD1-CG2 3.88Å; Y30-V48 HydrophobicContact CD2-CG2 4.48Å; Y30-V48 HydrophobicContact CE1-CB 3.66Å; Y30-V48 HydrophobicContact CE1-CG2 3.52Å; Y30-V48 HydrophobicContact CE2-CG2 4.18Å; Y30-V48 HydrophobicContact CG-CG2 4.36Å; Y30-K66 HydrophobicContact CD1-CB 4.37Å; Y30-K66 HydrophobicContact CD1-CD 4.41Å; Y30-K66 HydrophobicContact CD1-CG 3.99Å; Y30-K66 HydrophobicContact CE1-CB 4.28Å; Y30-K66 HydrophobicContact CE1-CG 4.4Å
31E82.3Confident76.8Confident95 Ų9595.5 Ų95.544%0.44449%0.487SS..EExtended strand (participates in β ladder)trans-115.1131.6-177.8-137174.8-169.700109.9L33 Y46 R47E31-L33 PolarHBondContact O-N 3.07Å; E31-Y46 CarbonylContact O-C 3.53Å; E31-Y46 VanDerWaalsContact O-CA 3.28Å; E31-Y46 WeakPolarHBondContact O-CA 3.43Å; E31-Y46 WeakPolarHBondContact O-CD1 3.45Å; E31-R47 HydrophobicContact CB-CB 4.24Å; E31-R47 PolarHBondContact N-O 2.73Å; E31-R47 PolarHBondContact O-N 2.92Å
32L85.5Confident76.1Confident69 Ų6997.7 Ų97.736%0.36150%0.501SS..EExtended strand (participates in β ladder)trans-85110.4174175.166000108A34 F44 Y46L32-A34 WeakPolarHBondContact CD1-O 3.19Å; L32-F44 HydrophobicContact CD1-CD1 4.15Å; L32-Y46 HydrophobicContact CB-CE1 4Å; L32-Y46 HydrophobicContact CB-CE2 4.19Å; L32-Y46 HydrophobicContact CD1-CD2 3.86Å; L32-Y46 HydrophobicContact CD1-CE2 3.48Å; L32-Y46 VanDerWaalsContact CD1-CE2 3.48Å; L32-Y46 HydrophobicContact CG-CE2 4.36Å
33L79.8Confident76Confident83 Ų8397.4 Ų97.444%0.43550%0.496SS..EExtended strand (participates in β ladder)trans-83.2-44.2-179.7-64-177.8000111.9E31 V45 R47E31-L33 PolarHBondContact O-N 3.07Å; L33-V45 HydrophobicContact CB-CB 4.34Å; L33-V45 HydrophobicContact CB-CG1 4.18Å; L33-V45 HydrophobicContact CD1-CG1 4.2Å; L33-V45 PolarHBondContact N-O 3.25Å; L33-R47 HydrophobicContact CD1-CB 3.86Å; L33-R47 HydrophobicContact CD2-CB 4.11Å; L33-R47 HydrophobicContact CG-CB 3.89Å
34A73.7Confident75.9Confident32 Ų3291.5 Ų91.526%0.26447%0.471SS..EExtended strand (participates in β ladder)trans-149.8148.2-177.600000111.5L32 F44 V45L32-A34 WeakPolarHBondContact CD1-O 3.19Å; A34-F44 WeakPolarHBondContact O-CA 2.99Å; A34-V45 HydrophobicContact CB-CB 4.11Å; A34-V45 HydrophobicContact CB-CG2 4.05Å; A34-V45 PolarHBondContact N-O 3.05Å; A34-V45 PolarHBondContact O-N 2.93Å
35S81.9Confident76.1Confident70 Ų7088.7 Ų88.749%0.4946%0.462SS..EExtended strand (participates in β ladder)trans-136.9105.3165.662.20000108.4T43S35-T43 WeakPolarHBondContact CA-O 3.28Å
36E69.6Low76.2Confident149 Ų14978.3 Ų78.370%0.69642%0.422SS*.EExtended strand (participates in β ladder)trans-126.9148.4-176.1-67.7-166.9165.400110.8T42 T43E36-T42 CarbonylContact O-C 3.58Å; E36-T42 WeakPolarHBondContact O-CA 3.32Å; E36-T43 PolarHBondContact N-O 3.22Å; E36-T43 PolarHBondContact O-N 3.31Å
37G63.9Low76.5Confident55 Ų5579.8 Ų79.857%0.56743%0.425SS*.EExtended strand (participates in β ladder)trans126.5166.3173.800000114.3E41 T42G37-E41 WeakPolarHBondContact CA-O 3.32Å; G37-T42 WeakPolarHBondContact O-CG2 3.48Å
38K58.3Low76.8Confident155 Ų15573.1 Ų73.167%0.67439%0.39SS*.EExtended strand (participates in β ladder)trans-79.9164.9-179.2-65.6177.3-177.5172.80110.2H40 E41 T42K38-H40 PolarHBondContact O-N 3.38Å; K38-E41 CarbonylContact O-C 3.6Å; K38-E41 PolarHBondContact O-N 2.94Å; K38-T42 PolarHBondContact O-N 3.43Å
39T65.3Low76.8Confident147 Ų14774.7 Ų74.790%0.90240%0.397SS*.THydrogen-bonded Turntrans-50.4-18.1-173.6-26.60000115.5
40H62.1Low76.7Confident157 Ų15770.9 Ų70.973%0.72737%0.374SS*.THydrogen-bonded Turntrans-113.5-6.6-179.746.6-82.6000114.5K38K38-H40 PolarHBondContact O-N 3.38Å
41E68Low76.5Confident144 Ų14473.3 Ų73.367%0.67339%0.388SS*.EExtended strand (participates in β ladder)trans-145.555.3-175.3-161.1169.2-148.400109.9G37 K38G37-E41 WeakPolarHBondContact CA-O 3.32Å; K38-E41 CarbonylContact O-C 3.6Å; K38-E41 PolarHBondContact O-N 2.94Å
42T69Low76.2Confident47 Ų4772.2 Ų72.229%0.28840%0.402SS..EExtended strand (participates in β ladder)trans-87.8128.3178.622.20000110.5E36 G37 K38 K60E36-T42 CarbonylContact O-C 3.58Å; E36-T42 WeakPolarHBondContact O-CA 3.32Å; G37-T42 WeakPolarHBondContact O-CG2 3.48Å; K38-T42 PolarHBondContact O-N 3.43Å; T42-K60 CarbonylContact O-C 3.4Å; T42-K60 VanDerWaalsContact O-C 3.32Å; T42-K60 VanDerWaalsContact O-CA 3.23Å; T42-K60 WeakPolarHBondContact O-CA 3.39Å; T42-K60 VanDerWaalsContact O-O 3.11Å
43T78.9Confident75.9Confident59 Ų5970.2 Ų70.236%0.36239%0.392SS..EExtended strand (participates in β ladder)trans-110.1127.2178.2-560000108.6S35 E36 I58S35-T43 WeakPolarHBondContact CA-O 3.28Å; E36-T43 PolarHBondContact N-O 3.22Å; E36-T43 PolarHBondContact O-N 3.31Å; T43-I58 HydrophobicContact CG2-CG2 3.24Å
44F78.7Confident76.1Confident30 Ų3067.7 Ų67.713%0.13238%0.381CS..EExtended strand (participates in β ladder)trans-110.2135.7177.5-63.4-90.1000109L32 A34 I58 G59 K62 A65L32-F44 HydrophobicContact CD1-CD1 4.15Å; A34-F44 WeakPolarHBondContact O-CA 2.99Å; F44-I58 CarbonylContact O-C 3.25Å; F44-I58 WeakPolarHBondContact O-CA 3.37Å; F44-G59 PolarHBondContact N-O 3.19Å; F44-G59 PolarHBondContact O-N 3.06Å; F44-K62 HydrophobicContact CD1-CD 4.43Å; F44-K62 HydrophobicContact CD1-CG 3.54Å; F44-K62 HydrophobicContact CD2-CG 4.39Å; F44-K62 HydrophobicContact CE1-CD 4.29Å; F44-K62 HydrophobicContact CE1-CG 3.69Å; F44-K62 HydrophobicContact CG-CG 3.92Å; F44-K62 HydrophobicContact CZ-CG 4.18Å; F44-A65 HydrophobicContact CB-CB 3.83Å; F44-A65 WeakPolarHBondContact O-CB 3.29Å
45V84.2Confident76.5Confident11 Ų1166.7 Ų66.77%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-114.4119.3175-172.60000108.2L33 A34 G57 I58 V314L33-V45 HydrophobicContact CB-CB 4.34Å; L33-V45 HydrophobicContact CB-CG1 4.18Å; L33-V45 HydrophobicContact CD1-CG1 4.2Å; L33-V45 PolarHBondContact N-O 3.25Å; A34-V45 HydrophobicContact CB-CB 4.11Å; A34-V45 HydrophobicContact CB-CG2 4.05Å; A34-V45 PolarHBondContact N-O 3.05Å; A34-V45 PolarHBondContact O-N 2.93Å; V45-G57 CarbonylContact C-O 3.52Å; V45-G57 WeakPolarHBondContact CA-O 3.25Å; V45-I58 HydrophobicContact CG1-CG1 4.37Å; V45-I58 HydrophobicContact CG2-CG1 4.22Å; V45-V314 HydrophobicContact CG1-CG1 3.87Å; V45-V314 HydrophobicContact CG2-CG1 4.39Å
46Y84Confident76.6Confident21 Ų2165.8 Ų65.88%0.08236%0.362CS..EExtended strand (participates in β ladder)trans-114.1136.6176.3-97.4-91.4000110.7E31 L32 N56 G57 K62 A65 K66E31-Y46 CarbonylContact O-C 3.53Å; E31-Y46 VanDerWaalsContact O-CA 3.28Å; E31-Y46 WeakPolarHBondContact O-CA 3.43Å; E31-Y46 WeakPolarHBondContact O-CD1 3.45Å; L32-Y46 HydrophobicContact CB-CE1 4Å; L32-Y46 HydrophobicContact CB-CE2 4.19Å; L32-Y46 HydrophobicContact CD1-CD2 3.86Å; L32-Y46 HydrophobicContact CD1-CE2 3.48Å; L32-Y46 VanDerWaalsContact CD1-CE2 3.48Å; L32-Y46 HydrophobicContact CG-CE2 4.36Å; Y46-N56 CarbonylContact O-C 3.44Å; Y46-N56 WeakPolarHBondContact O-CA 3.03Å; Y46-G57 PolarHBondContact N-O 3.4Å; Y46-G57 PolarHBondContact O-N 3.43Å; Y46-K62 HydrophobicContact CE2-CB 4.04Å; Y46-K62 HydrophobicContact CE2-CG 4.17Å; Y46-A65 HydrophobicContact CD2-CB 3.8Å; Y46-K66 HydrophobicContact CD1-CD 4.49Å; Y46-K66 HydrophobicContact CD1-CG 3.79Å; Y46-K66 HydrophobicContact CD2-CG 4.06Å; Y46-K66 HydrophobicContact CE1-CD 4.27Å; Y46-K66 HydrophobicContact CE1-CG 4.01Å; Y46-K66 HydrophobicContact CE2-CG 4.25Å; Y46-K66 HydrophobicContact CG-CG 3.81Å
47R85.3Confident76.9Confident63 Ų6358.7 Ų58.724%0.23833%0.329CS..EExtended strand (participates in β ladder)trans-94.2141.5162.8-170.4174.9-176.5-166.42.3109.4Y30 E31 L33 I49 S54 S55Y30-R47 CarbonylContact C-O 3.55Å; Y30-R47 WeakPolarHBondContact CA-O 3.43Å; E31-R47 HydrophobicContact CB-CB 4.24Å; E31-R47 PolarHBondContact N-O 2.73Å; E31-R47 PolarHBondContact O-N 2.92Å; L33-R47 HydrophobicContact CD1-CB 3.86Å; L33-R47 HydrophobicContact CD2-CB 4.11Å; L33-R47 HydrophobicContact CG-CB 3.89Å; R47-I49 HydrophobicContact CG-CD1 4.45Å; R47-I49 HydrophobicContact CG-CG1 4Å; R47-S54 PolarHBondContact NE-OG 3.01Å; R47-S54 PolarHBondContact NH2-OG 3.48Å; R47-S55 CarbonylContact C-O 3.56Å; R47-S55 WeakPolarHBondContact CA-O 3.45Å
48V84.9Confident77.7Confident0 Ų058.9 Ų58.90%032%0.317CS..EExtended strand (participates in β ladder)trans-121135.8166.461.30000109.1L17 P28 V29 Y30 V50 S54 S55 A69 L73L17-V48 HydrophobicContact CD2-CG2 3.74Å; P28-V48 HydrophobicContact CB-CG2 4.41Å; V29-V48 CarbonylContact O-C 3.48Å; V29-V48 VanDerWaalsContact O-CA 3.31Å; V29-V48 WeakPolarHBondContact O-CA 3.44Å; Y30-V48 HydrophobicContact CD1-CB 3.8Å; Y30-V48 HydrophobicContact CD1-CG2 3.88Å; Y30-V48 HydrophobicContact CD2-CG2 4.48Å; Y30-V48 HydrophobicContact CE1-CB 3.66Å; Y30-V48 HydrophobicContact CE1-CG2 3.52Å; Y30-V48 HydrophobicContact CE2-CG2 4.18Å; Y30-V48 HydrophobicContact CG-CG2 4.36Å; V48-V50 HydrophobicContact CG2-CG2 4.19Å; V48-S54 VanDerWaalsContact O-CA 3.22Å; V48-S54 WeakPolarHBondContact O-CA 3.4Å; V48-S54 WeakPolarHBondContact O-CB 3.48Å; V48-S55 VanDerWaalsContact CG1-OG 3.24Å; V48-S55 WeakPolarHBondContact CG1-OG 3.32Å; V48-S55 PolarHBondContact N-O 2.95Å; V48-S55 PolarHBondContact O-N 3.33Å; V48-S55 VanDerWaalsContact O-N 3.08Å; V48-A69 HydrophobicContact CB-CB 4.26Å; V48-A69 HydrophobicContact CG1-CB 3.82Å; V48-A69 WeakPolarHBondContact CG1-O 3.39Å; V48-L73 HydrophobicContact CG1-CB 3.82Å; V48-L73 HydrophobicContact CG1-CD1 3.75Å; V48-L73 HydrophobicContact CG1-CG 4.35Å
49I84.9Confident78.8Confident47 Ų4752 Ų5224%0.24129%0.29CS..EExtended strand (participates in β ladder)trans-127.7127.8-178.5-49.3175.9000108.5V29 R47 V53V29-I49 PolarHBondContact N-O 3.48Å; V29-I49 PolarHBondContact O-N 3.26Å; R47-I49 HydrophobicContact CG-CD1 4.45Å; R47-I49 HydrophobicContact CG-CG1 4Å; I49-V53 WeakPolarHBondContact CA-O 3.45Å
50V84.8Confident79.5Confident3 Ų353.8 Ų53.82%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-145.9120.2179.3-174.70000108.8L17 C21 V26 P28 V48 G52 V53 L73 W86L17-V50 HydrophobicContact CD2-CG2 4.22Å; C21-V50 VanDerWaalsContact SG-CG1 3.51Å; V26-V50 HydrophobicContact CG1-CG1 4.09Å; P28-V50 HydrophobicContact CB-CG2 3.64Å; V48-V50 HydrophobicContact CG2-CG2 4.19Å; V50-G52 VanDerWaalsContact C-N 3.28Å; V50-G52 PolarHBondContact O-N 3.39Å; V50-V53 PolarHBondContact N-O 2.88Å; V50-V53 PolarHBondContact O-N 2.93Å; V50-L73 HydrophobicContact CB-CD2 4.06Å; V50-L73 HydrophobicContact CG2-CD1 4.33Å; V50-L73 HydrophobicContact CG2-CD2 3.84Å; V50-W86 HydrophobicContact CB-CH2 3.74Å; V50-W86 HydrophobicContact CB-CZ3 4.47Å; V50-W86 HydrophobicContact CG1-CH2 3.4Å; V50-W86 VanDerWaalsContact CG1-CH2 3.4Å; V50-W86 HydrophobicContact CG1-CZ2 4.19Å; V50-W86 HydrophobicContact CG1-CZ3 3.97Å
51E80.7Confident80.6Confident103 Ų10348.7 Ų48.748%0.48127%0.267SS..THydrogen-bonded Turntrans45.745.5179.5-62-162.3118.400114.5R24 V26 V53R24-E51 IonicContact CZ-OE2 2.72Å; R24-E51 IonicContact NH1-OE2 2.63Å; R24-E51 PolarHBondContact NH1-OE2 2.85Å; V26-E51 HydrophobicContact CB-CG 4.21Å; V26-E51 HydrophobicContact CG1-CG 3.79Å; V26-E51 HydrophobicContact CG2-CG 3.61Å; V26-E51 WeakPolarHBondContact CG2-OE1 3.21Å; E51-V53 PolarHBondContact O-N 3.42Å
52G76.7Confident81.4Confident72 Ų7247 Ų4774%0.74226%0.257SS*.THydrogen-bonded Turntrans80.5-15.7179.900000114.8V50V50-G52 VanDerWaalsContact C-N 3.28Å; V50-G52 PolarHBondContact O-N 3.39Å
53V78.3Confident82.2Confident27 Ų2753.2 Ų53.216%0.16428%0.275CS..EExtended strand (participates in β ladder)trans-81.6131.5171.5-1710000108.8I49 V50 E51 L73 K76 L80I49-V53 WeakPolarHBondContact CA-O 3.45Å; V50-V53 PolarHBondContact N-O 2.88Å; V50-V53 PolarHBondContact O-N 2.93Å; E51-V53 PolarHBondContact O-N 3.42Å; V53-L73 HydrophobicContact CG1-CD1 4.31Å; V53-L73 HydrophobicContact CG1-CG 4.4Å; V53-L73 WeakPolarHBondContact O-CD1 3.28Å; V53-K76 HydrophobicContact CG1-CD 4.4Å; V53-K76 HydrophobicContact CG1-CG 4.44Å; V53-L80 HydrophobicContact CG1-CD1 4.47Å; V53-L80 HydrophobicContact CG2-CD1 4.39Å
54S85.7Confident82.3Confident29 Ų2952 Ų5220%0.20327%0.271CS..EExtended strand (participates in β ladder)trans-132.9148.9174.769.40000113.4R47 V48 K76R47-S54 PolarHBondContact NE-OG 3.01Å; R47-S54 PolarHBondContact NH2-OG 3.48Å; V48-S54 VanDerWaalsContact O-CA 3.22Å; V48-S54 WeakPolarHBondContact O-CA 3.4Å; V48-S54 WeakPolarHBondContact O-CB 3.48Å; S54-K76 PolarHBondContact O-NZ 3.46Å
55S81.2Confident82.6Confident11 Ų1150.6 Ų50.68%0.07727%0.265CS..EExtended strand (participates in β ladder)trans-145.9156.4176.271.80000111.5R47 V48 A69 L73R47-S55 CarbonylContact C-O 3.56Å; R47-S55 WeakPolarHBondContact CA-O 3.45Å; V48-S55 VanDerWaalsContact CG1-OG 3.24Å; V48-S55 WeakPolarHBondContact CG1-OG 3.32Å; V48-S55 PolarHBondContact N-O 2.95Å; V48-S55 PolarHBondContact O-N 3.33Å; V48-S55 VanDerWaalsContact O-N 3.08Å; S55-A69 PolarHBondContact OG-O 3.37Å; S55-L73 WeakPolarHBondContact OG-CA 3.48Å; S55-L73 VanDerWaalsContact OG-CB 3.27Å; S55-L73 WeakPolarHBondContact OG-CB 3.31Å; S55-L73 PolarHBondContact OG-N 2.7Å; S55-L73 VanDerWaalsContact OG-N 3.16Å
56N83.2Confident82.6Confident52 Ų5253.5 Ų53.528%0.27828%0.277SS..EExtended strand (participates in β ladder)trans-111.6141.7-179.7-57.2-11.9000109.8Y46 R72Y46-N56 CarbonylContact O-C 3.44Å; Y46-N56 WeakPolarHBondContact O-CA 3.03Å; N56-R72 VanDerWaalsContact O-CD 3.23Å; N56-R72 WeakPolarHBondContact O-CD 3.47Å
57G77.5Confident82.7Confident0 Ų053.7 Ų53.70%028%0.278CS..EExtended strand (participates in β ladder)trans-133.2137.4178.600000112V45 Y46V45-G57 CarbonylContact C-O 3.52Å; V45-G57 WeakPolarHBondContact CA-O 3.25Å; Y46-G57 PolarHBondContact N-O 3.4Å; Y46-G57 PolarHBondContact O-N 3.43Å
58I80.6Confident82.7Confident59 Ų5952.6 Ų52.630%0.30328%0.28SS..EExtended strand (participates in β ladder)trans-113.5141.9-176.6-53.9179.4000108.5T43 F44 V45 C68 V314T43-I58 HydrophobicContact CG2-CG2 3.24Å; F44-I58 CarbonylContact O-C 3.25Å; F44-I58 WeakPolarHBondContact O-CA 3.37Å; V45-I58 HydrophobicContact CG1-CG1 4.37Å; V45-I58 HydrophobicContact CG2-CG1 4.22Å; I58-C68 WeakPolarHBondContact O-CB 3.28Å; I58-V314 HydrophobicContact CD1-CB 4.45Å
59G80.9Confident82.7Confident10 Ų1052.6 Ų52.610%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-165.5157.5173.200000114.1F44 S61F44-G59 PolarHBondContact N-O 3.19Å; F44-G59 PolarHBondContact O-N 3.06Å; G59-S61 PolarHBondContact O-N 3.21Å
60K80.7Confident82.9Confident184 Ų18450.3 Ų50.380%0.827%0.268SS*.SBendtrans-66-6.4178.2-55.4-172.3-179-172.50114.1T42T42-K60 CarbonylContact O-C 3.4Å; T42-K60 VanDerWaalsContact O-C 3.32Å; T42-K60 VanDerWaalsContact O-CA 3.23Å; T42-K60 WeakPolarHBondContact O-CA 3.39Å; T42-K60 VanDerWaalsContact O-O 3.11Å
61S84.4Confident82.8Confident50 Ų5051 Ų5135%0.3528%0.275SS..SBendtrans-146.8156.3175.669.40000109.4G59 R63 A64 A65G59-S61 PolarHBondContact O-N 3.21Å; S61-R63 PolarHBondContact O-N 2.91Å; S61-R63 VanDerWaalsContact O-N 3.17Å; S61-A64 PolarHBondContact O-N 3.32Å; S61-A64 VanDerWaalsContact O-N 3.08Å; S61-A64 WeakPolarHBondContact OG-CB 3.38Å; S61-A64 PolarHBondContact OG-N 2.91Å; S61-A64 VanDerWaalsContact OG-N 3.13Å; S61-A65 WeakPolarHBondContact O-CB 3.06Å; S61-A65 PolarHBondContact O-N 3.04Å
62K84.6Confident82.9Confident109 Ų10952 Ų5247%0.47427%0.274SS..Hα-helixtrans-53.4-36.8174.5-63.4-175.6179.6-174.80112.3F44 Y46 K66F44-K62 HydrophobicContact CD1-CD 4.43Å; F44-K62 HydrophobicContact CD1-CG 3.54Å; F44-K62 HydrophobicContact CD2-CG 4.39Å; F44-K62 HydrophobicContact CE1-CD 4.29Å; F44-K62 HydrophobicContact CE1-CG 3.69Å; F44-K62 HydrophobicContact CG-CG 3.92Å; F44-K62 HydrophobicContact CZ-CG 4.18Å; Y46-K62 HydrophobicContact CE2-CB 4.04Å; Y46-K62 HydrophobicContact CE2-CG 4.17Å; K62-K66 WeakPolarHBondContact O-CB 3.5Å; K62-K66 WeakPolarHBondContact O-CG 2.91Å; K62-K66 PolarHBondContact O-N 2.95Å
63R85.2Confident83.4Confident178 Ų17848.6 Ų48.667%0.67224%0.238SC*.Hα-helixtrans-66.9-47.3177.5-178.1177.6175.8163.3-0.8111.4S61 K66 Q67S61-R63 PolarHBondContact O-N 2.91Å; S61-R63 VanDerWaalsContact O-N 3.17Å; R63-K66 PolarHBondContact O-N 3.37Å; R63-Q67 WeakPolarHBondContact O-CG 3.33Å; R63-Q67 PolarHBondContact O-N 3.4Å
64A81.4Confident83.6Confident33 Ų3347.3 Ų47.327%0.27323%0.231SC..Hα-helixtrans-63.8-42.5178.300000111.5S61 Q67 C68S61-A64 PolarHBondContact O-N 3.32Å; S61-A64 VanDerWaalsContact O-N 3.08Å; S61-A64 WeakPolarHBondContact OG-CB 3.38Å; S61-A64 PolarHBondContact OG-N 2.91Å; S61-A64 VanDerWaalsContact OG-N 3.13Å; A64-Q67 PolarHBondContact O-N 3.02Å; A64-C68 WeakPolarHBondContact O-CB 3.29Å; A64-C68 PolarHBondContact O-N 2.78Å
65A84.5Confident83.5Confident0 Ų049 Ų490%024%0.236CC..Hα-helixtrans-61.7-45.4177.100000112.1F44 Y46 S61 Q67 C68 A69F44-A65 HydrophobicContact CB-CB 3.83Å; F44-A65 WeakPolarHBondContact O-CB 3.29Å; Y46-A65 HydrophobicContact CD2-CB 3.8Å; S61-A65 WeakPolarHBondContact O-CB 3.06Å; S61-A65 PolarHBondContact O-N 3.04Å; A65-Q67 PolarHBondContact O-N 3.36Å; A65-C68 PolarHBondContact O-N 2.84Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.89Å
66K86Confident83.6Confident72 Ų7252.9 Ų52.931%0.31325%0.251SS..Hα-helixtrans-62-41174.2-75.2-175.9179.4-167.20112.8V14 Y30 Y46 K62 R63 A69 A70V14-K66 HydrophobicContact CG2-CB 4.19Å; Y30-K66 HydrophobicContact CD1-CB 4.37Å; Y30-K66 HydrophobicContact CD1-CD 4.41Å; Y30-K66 HydrophobicContact CD1-CG 3.99Å; Y30-K66 HydrophobicContact CE1-CB 4.28Å; Y30-K66 HydrophobicContact CE1-CG 4.4Å; Y46-K66 HydrophobicContact CD1-CD 4.49Å; Y46-K66 HydrophobicContact CD1-CG 3.79Å; Y46-K66 HydrophobicContact CD2-CG 4.06Å; Y46-K66 HydrophobicContact CE1-CD 4.27Å; Y46-K66 HydrophobicContact CE1-CG 4.01Å; Y46-K66 HydrophobicContact CE2-CG 4.25Å; Y46-K66 HydrophobicContact CG-CG 3.81Å; K62-K66 WeakPolarHBondContact O-CB 3.5Å; K62-K66 WeakPolarHBondContact O-CG 2.91Å; K62-K66 PolarHBondContact O-N 2.95Å; R63-K66 PolarHBondContact O-N 3.37Å; K66-A69 PolarHBondContact O-N 2.78Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.88Å
67Q85.5Confident83.5Confident25 Ų2550.5 Ų50.512%0.11724%0.238CC..Hα-helixtrans-63.2-44.1175.3-78.2-174.7-2800111.9S12 P13 V14 R63 A64 A65 A69 A70 A71 N107S12-Q67 PolarHBondContact OG-NE2 3.27Å; P13-Q67 HydrophobicContact CG-CB 4.46Å; V14-Q67 HydrophobicContact CG2-CB 4.42Å; V14-Q67 HydrophobicContact CG2-CG 3.87Å; R63-Q67 WeakPolarHBondContact O-CG 3.33Å; R63-Q67 PolarHBondContact O-N 3.4Å; A64-Q67 PolarHBondContact O-N 3.02Å; A65-Q67 PolarHBondContact O-N 3.36Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; Q67-A70 PolarHBondContact O-N 3.38Å; Q67-A71 WeakPolarHBondContact O-CB 3.49Å; Q67-A71 PolarHBondContact O-N 3.46Å; Q67-N107 PolarHBondContact NE2-OD1 3.37Å; Q67-N107 VanDerWaalsContact NE2-OD1 3.14Å
68C84.1Confident83.6Confident40 Ų4050.6 Ų50.627%0.2724%0.239SC..Hα-helixtrans-63.1-41.5176.5-171.70000111.5I58 A64 A65 A71 R72I58-C68 WeakPolarHBondContact O-CB 3.28Å; A64-C68 WeakPolarHBondContact O-CB 3.29Å; A64-C68 PolarHBondContact O-N 2.78Å; A65-C68 PolarHBondContact O-N 2.84Å; C68-A71 PolarHBondContact O-N 2.85Å; C68-R72 PolarHBondContact O-N 3.06Å
69A86.4Confident83.5Confident0 Ų054.6 Ų54.60%026%0.256CS..Hα-helixtrans-63.8-48.4178.800000110.5V48 S55 A65 K66 Q67 A71 R72 L73V48-A69 HydrophobicContact CB-CB 4.26Å; V48-A69 HydrophobicContact CG1-CB 3.82Å; V48-A69 WeakPolarHBondContact CG1-O 3.39Å; S55-A69 PolarHBondContact OG-O 3.37Å; A65-A69 WeakPolarHBondContact O-CB 3.41Å; A65-A69 PolarHBondContact O-N 2.89Å; K66-A69 PolarHBondContact O-N 2.78Å; Q67-A69 VanDerWaalsContact C-N 3.34Å; A69-A71 PolarHBondContact O-N 3.45Å; A69-R72 PolarHBondContact O-N 2.93Å; A69-L73 PolarHBondContact O-N 3.05Å
70A87.7Confident83.3Confident0 Ų059.7 Ų59.70%028%0.28CS..Hα-helixtrans-60.3-44177.100000112.5P13 V14 L17 K66 Q67 L73 L74P13-A70 HydrophobicContact CB-CB 4.25Å; V14-A70 HydrophobicContact CG2-CB 4.01Å; L17-A70 HydrophobicContact CB-CB 4.27Å; L17-A70 HydrophobicContact CD2-CB 4.05Å; K66-A70 WeakPolarHBondContact O-CB 3.45Å; K66-A70 PolarHBondContact O-N 2.88Å; Q67-A70 PolarHBondContact O-N 3.38Å; A70-L73 PolarHBondContact O-N 3.21Å; A70-L74 WeakPolarHBondContact O-CG 3.43Å; A70-L74 PolarHBondContact O-N 2.71Å; A70-L74 VanDerWaalsContact O-N 3.08Å
71A83.7Confident83Confident18 Ų1853.2 Ų53.215%0.14927%0.266CS..Hα-helixtrans-60.4-47.7177.800000111.6P13 Q67 C68 A69 L73 L74 E75 M100P13-A71 HydrophobicContact CB-CB 4.13Å; P13-A71 HydrophobicContact CG-CB 4.46Å; Q67-A71 WeakPolarHBondContact O-CB 3.49Å; Q67-A71 PolarHBondContact O-N 3.46Å; C68-A71 PolarHBondContact O-N 2.85Å; A69-A71 PolarHBondContact O-N 3.45Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.22Å; A71-L74 PolarHBondContact O-N 3.19Å; A71-E75 WeakPolarHBondContact O-CB 3.48Å; A71-E75 PolarHBondContact O-N 3.34Å; A71-M100 HydrophobicContact CB-CE 4.45Å
72R83.5Confident82.6Confident123 Ų12351.9 Ų51.946%0.46426%0.258SS..Hα-helixtrans-64-33.5176.6-80.8-174.9163.2134.7-0.2113.5N56 C68 A69 K76N56-R72 VanDerWaalsContact O-CD 3.23Å; N56-R72 WeakPolarHBondContact O-CD 3.47Å; C68-R72 PolarHBondContact O-N 3.06Å; A69-R72 PolarHBondContact O-N 2.93Å; R72-K76 WeakPolarHBondContact O-CB 3.39Å; R72-K76 PolarHBondContact O-N 3.15Å
73L86.3Confident82Confident0 Ų047.7 Ų47.70%024%0.24CC..Hα-helixtrans-65.4-47.9176.9-167.1118.8000110.5L17 V48 V50 V53 S55 A69 A70 A71 E75 K76 V77 W86L17-L73 HydrophobicContact CD1-CD2 3.36Å; L17-L73 HydrophobicContact CD2-CD2 4.35Å; L17-L73 HydrophobicContact CG-CD2 4.48Å; V48-L73 HydrophobicContact CG1-CB 3.82Å; V48-L73 HydrophobicContact CG1-CD1 3.75Å; V48-L73 HydrophobicContact CG1-CG 4.35Å; V50-L73 HydrophobicContact CB-CD2 4.06Å; V50-L73 HydrophobicContact CG2-CD1 4.33Å; V50-L73 HydrophobicContact CG2-CD2 3.84Å; V53-L73 HydrophobicContact CG1-CD1 4.31Å; V53-L73 HydrophobicContact CG1-CG 4.4Å; V53-L73 WeakPolarHBondContact O-CD1 3.28Å; S55-L73 WeakPolarHBondContact OG-CA 3.48Å; S55-L73 VanDerWaalsContact OG-CB 3.27Å; S55-L73 WeakPolarHBondContact OG-CB 3.31Å; S55-L73 PolarHBondContact OG-N 2.7Å; S55-L73 VanDerWaalsContact OG-N 3.16Å; A69-L73 PolarHBondContact O-N 3.05Å; A70-L73 PolarHBondContact O-N 3.21Å; A71-L73 VanDerWaalsContact C-N 3.3Å; A71-L73 PolarHBondContact O-N 3.22Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.93Å; L73-K76 WeakPolarHBondContact O-CB 3.49Å; L73-K76 PolarHBondContact O-N 2.98Å; L73-V77 HydrophobicContact CD2-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 2.7Å; L73-W86 HydrophobicContact CD2-CH2 3.71Å; L73-W86 HydrophobicContact CD2-CZ3 3.81Å
74L82.9Confident81.3Confident0 Ų043 Ų430%024%0.239CC..Hα-helixtrans-61-41.4177.7-69.1170.3000111.4V16 L17 L20 A70 A71 K76 V77 V78 L88 M100V16-L74 HydrophobicContact CB-CD1 4.43Å; V16-L74 HydrophobicContact CG1-CD1 4.21Å; L17-L74 HydrophobicContact CB-CD1 4.48Å; L17-L74 HydrophobicContact CD1-CD2 3.59Å; L17-L74 HydrophobicContact CD1-CG 3.86Å; L20-L74 HydrophobicContact CD1-CD2 3.51Å; A70-L74 WeakPolarHBondContact O-CG 3.43Å; A70-L74 PolarHBondContact O-N 2.71Å; A70-L74 VanDerWaalsContact O-N 3.08Å; A71-L74 PolarHBondContact O-N 3.19Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.18Å; L74-V77 WeakPolarHBondContact O-CB 3.38Å; L74-V77 PolarHBondContact O-N 3.33Å; L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 2.93Å; L74-L88 HydrophobicContact CD2-CD1 4.41Å; L74-L88 HydrophobicContact CD2-CD2 4.31Å; L74-M100 HydrophobicContact CB-CE 4.27Å; L74-M100 HydrophobicContact CB-CG 4.41Å; L74-M100 HydrophobicContact CB-SD 3.15Å; L74-M100 WeakPolarHBondContact CB-SD 3.46Å; L74-M100 HydrophobicContact CD1-CE 3.67Å; L74-M100 HydrophobicContact CD1-SD 3.68Å; L74-M100 HydrophobicContact CG-SD 4.04Å
75E82.8Confident81Confident66 Ų6648 Ų4831%0.30826%0.257SS..Hα-helixtrans-60.7-42.4174.9-159.1173.6-143.200111.9A71 L73 V77 V78 Q79 L97A71-E75 WeakPolarHBondContact O-CB 3.48Å; A71-E75 PolarHBondContact O-N 3.34Å; L73-E75 VanDerWaalsContact C-N 3.31Å; L73-E75 PolarHBondContact O-N 2.93Å; E75-V77 PolarHBondContact O-N 3.13Å; E75-V78 PolarHBondContact O-N 2.94Å; E75-Q79 WeakPolarHBondContact O-CG 3.37Å; E75-Q79 PolarHBondContact O-N 2.96Å; E75-L97 HydrophobicContact CG-CD2 3.75Å
76K83.1Confident80.6Confident92 Ų9248.7 Ų48.740%0.426%0.26SS..Hα-helixtrans-65.5-37.3176.1-163165.7-179.3179.10112.2V53 S54 R72 L73 L74 V78 Q79 L80V53-K76 HydrophobicContact CG1-CD 4.4Å; V53-K76 HydrophobicContact CG1-CG 4.44Å; S54-K76 PolarHBondContact O-NZ 3.46Å; R72-K76 WeakPolarHBondContact O-CB 3.39Å; R72-K76 PolarHBondContact O-N 3.15Å; L73-K76 WeakPolarHBondContact O-CB 3.49Å; L73-K76 PolarHBondContact O-N 2.98Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 3.18Å; K76-V78 VanDerWaalsContact C-N 3.33Å; K76-Q79 PolarHBondContact O-N 2.98Å; K76-L80 HydrophobicContact CG-CD1 4.47Å; K76-L80 VanDerWaalsContact O-CG 3.3Å; K76-L80 WeakPolarHBondContact O-CG 3.3Å; K76-L80 PolarHBondContact O-N 3.28Å
77V82.1Confident80Confident1 Ų147.2 Ų47.21%0.00627%0.265CS..Hα-helixtrans-62.8-40173168.20000111.3L73 L74 E75 L80 A82 W86 L88L73-V77 HydrophobicContact CD2-CG2 4.39Å; L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 2.7Å; L74-V77 WeakPolarHBondContact O-CB 3.38Å; L74-V77 PolarHBondContact O-N 3.33Å; E75-V77 PolarHBondContact O-N 3.13Å; V77-L80 PolarHBondContact O-N 3.13Å; V77-A82 HydrophobicContact CG1-CB 4.11Å; V77-A82 PolarHBondContact O-N 3.11Å; V77-A82 VanDerWaalsContact O-N 3.08Å; V77-W86 HydrophobicContact CB-CD2 4.34Å; V77-W86 HydrophobicContact CG1-CB 3.94Å; V77-W86 HydrophobicContact CG1-CD2 3.52Å; V77-W86 HydrophobicContact CG1-CE3 4.06Å; V77-W86 HydrophobicContact CG1-CG 3.44Å; V77-W86 VanDerWaalsContact CG1-CG 3.44Å; V77-W86 HydrophobicContact CG2-CD2 3.86Å; V77-W86 HydrophobicContact CG2-CE3 3.94Å; V77-W86 HydrophobicContact CG2-CH2 3.67Å; V77-W86 HydrophobicContact CG2-CZ2 3.61Å; V77-W86 HydrophobicContact CG2-CZ3 3.85Å; V77-L88 HydrophobicContact CG1-CD1 4.1Å
78V80.5Confident79.4Confident3 Ų346.5 Ų46.52%0.01826%0.262CS..Hα-helixtrans-65.3-45.2175.6179.80000111L74 E75 K76 L80 G81 H83 L88 A93 A96 L97L74-V78 WeakPolarHBondContact O-CG2 3.45Å; L74-V78 PolarHBondContact O-N 2.93Å; E75-V78 PolarHBondContact O-N 2.94Å; K76-V78 VanDerWaalsContact C-N 3.33Å; V78-L80 VanDerWaalsContact C-N 3.3Å; V78-L80 PolarHBondContact O-N 2.99Å; V78-G81 PolarHBondContact O-N 3.34Å; V78-H83 HydrophobicContact CB-CB 4.39Å; V78-H83 HydrophobicContact CG1-CB 4.47Å; V78-H83 HydrophobicContact CG2-CB 3.95Å; V78-L88 HydrophobicContact CG2-CD1 3.93Å; V78-A93 HydrophobicContact CG1-CB 3.82Å; V78-A93 WeakPolarHBondContact CG1-O 3.26Å; V78-A96 HydrophobicContact CG1-CB 4.14Å; V78-A96 HydrophobicContact CG2-CB 3.81Å; V78-L97 HydrophobicContact CG1-CD1 4.29Å; V78-L97 HydrophobicContact CG1-CG 4Å
79Q77.8Confident78.5Confident142 Ų14247.5 Ų47.566%0.66427%0.268SS*.Hα-helixtrans-62.1-34.8178-75.2174.50.500113.3E75 K76 G81E75-Q79 WeakPolarHBondContact O-CG 3.37Å; E75-Q79 PolarHBondContact O-N 2.96Å; K76-Q79 PolarHBondContact O-N 2.98Å; Q79-G81 PolarHBondContact O-N 3.34Å
80L76.1Confident77.2Confident117 Ų11748.9 Ų48.961%0.61328%0.282SS*.THydrogen-bonded Turntrans-73.7-0.5174.4-70.1169.2000113.2V53 K76 V77 V78 A82V53-L80 HydrophobicContact CG1-CD1 4.47Å; V53-L80 HydrophobicContact CG2-CD1 4.39Å; K76-L80 HydrophobicContact CG-CD1 4.47Å; K76-L80 VanDerWaalsContact O-CG 3.3Å; K76-L80 WeakPolarHBondContact O-CG 3.3Å; K76-L80 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 3.13Å; V78-L80 VanDerWaalsContact C-N 3.3Å; V78-L80 PolarHBondContact O-N 2.99Å; L80-A82 PolarHBondContact O-N 3.32Å
81G75.3Confident76.1Confident48 Ų4857.7 Ų57.750%0.49532%0.323SS..THydrogen-bonded Turntrans737.1-177.200000113.9V78 Q79 H83V78-G81 PolarHBondContact O-N 3.34Å; Q79-G81 PolarHBondContact O-N 3.34Å; G81-H83 VanDerWaalsContact C-N 3.31Å; G81-H83 PolarHBondContact O-N 2.78Å
82A75.5Confident75.5Confident23 Ų2360 Ų6019%0.1934%0.336CS..  trans-87.76.5-176.700000113.5V77 L80 A84 E85 W86V77-A82 HydrophobicContact CG1-CB 4.11Å; V77-A82 PolarHBondContact O-N 3.11Å; V77-A82 VanDerWaalsContact O-N 3.08Å; L80-A82 PolarHBondContact O-N 3.32Å; A82-A84 PolarHBondContact O-N 2.8Å; A82-E85 WeakPolarHBondContact O-CB 3.42Å; A82-E85 PolarHBondContact O-N 3.29Å; A82-E85 VanDerWaalsContact O-N 3.14Å; A82-W86 PolarHBondContact O-N 2.75Å
83H72.2Confident74.8Confident21 Ų2156 Ų5610%0.09733%0.329CS..Hα-helixtrans-59.9-40.9-17756.3-80.8000113.4V78 G81 E85 W86 G87 L88 A96V78-H83 HydrophobicContact CB-CB 4.39Å; V78-H83 HydrophobicContact CG1-CB 4.47Å; V78-H83 HydrophobicContact CG2-CB 3.95Å; G81-H83 VanDerWaalsContact C-N 3.31Å; G81-H83 PolarHBondContact O-N 2.78Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-W86 PolarHBondContact O-N 2.94Å; H83-G87 PolarHBondContact O-N 2.78Å; H83-G87 VanDerWaalsContact O-N 3.1Å; H83-L88 HydrophobicContact CB-CB 4.16Å; H83-L88 HydrophobicContact CB-CD1 4.03Å; H83-L88 PolarHBondContact O-N 2.8Å; H83-A96 HydrophobicContact CB-CB 4.27Å
84A71.2Confident74Confident78 Ų7863.6 Ų63.665%0.64536%0.364SS*.Hα-helixtrans-64.4-41.4175.500000111.5A82 W86 G87A82-A84 PolarHBondContact O-N 2.8Å; A84-W86 VanDerWaalsContact C-N 3.33Å; A84-W86 PolarHBondContact O-N 2.99Å; A84-G87 PolarHBondContact O-N 2.97Å
85E74.3Confident73.6Confident139 Ų13968.4 Ų68.465%0.6539%0.387SS*.Hα-helixtrans-66.5-39.2179.4-143.9-157.8-152.500110.7R24 A82 H83 G87R24-E85 IonicContact CZ-OE2 3.75Å; R24-E85 PolarHBondContact NE-O 2.88Å; R24-E85 IonicContact NH1-OE2 2.69Å; R24-E85 VanDerWaalsContact NH2-CB 3.25Å; R24-E85 VanDerWaalsContact NH2-CD 3.26Å; R24-E85 PolarHBondContact NH2-O 3.25Å; R24-E85 IonicContact NH2-OE2 2.71Å; R24-E85 PolarHBondContact NH2-OE2 3.42Å; A82-E85 WeakPolarHBondContact O-CB 3.42Å; A82-E85 PolarHBondContact O-N 3.29Å; A82-E85 VanDerWaalsContact O-N 3.14Å; H83-E85 VanDerWaalsContact C-N 3.34Å; E85-G87 PolarHBondContact O-N 3.31Å
86W76.2Confident73Confident14 Ų1465.3 Ų65.35%0.05337%0.373CS..Hα-helixtrans-73.6-16.5178.5-80.753.6000112.9L17 L20 R24 V50 L73 V77 A82 H83 A84 L88L17-W86 HydrophobicContact CD1-CZ3 4.03Å; L20-W86 WeakPolarHBondContact CD2-O 3.33Å; R24-W86 VanDerWaalsContact CZ-CD1 3.46Å; V50-W86 HydrophobicContact CB-CH2 3.74Å; V50-W86 HydrophobicContact CB-CZ3 4.47Å; V50-W86 HydrophobicContact CG1-CH2 3.4Å; V50-W86 VanDerWaalsContact CG1-CH2 3.4Å; V50-W86 HydrophobicContact CG1-CZ2 4.19Å; V50-W86 HydrophobicContact CG1-CZ3 3.97Å; L73-W86 HydrophobicContact CD2-CH2 3.71Å; L73-W86 HydrophobicContact CD2-CZ3 3.81Å; V77-W86 HydrophobicContact CB-CD2 4.34Å; V77-W86 HydrophobicContact CG1-CB 3.94Å; V77-W86 HydrophobicContact CG1-CD2 3.52Å; V77-W86 HydrophobicContact CG1-CE3 4.06Å; V77-W86 HydrophobicContact CG1-CG 3.44Å; V77-W86 VanDerWaalsContact CG1-CG 3.44Å; V77-W86 HydrophobicContact CG2-CD2 3.86Å; V77-W86 HydrophobicContact CG2-CE3 3.94Å; V77-W86 HydrophobicContact CG2-CH2 3.67Å; V77-W86 HydrophobicContact CG2-CZ2 3.61Å; V77-W86 HydrophobicContact CG2-CZ3 3.85Å; A82-W86 PolarHBondContact O-N 2.75Å; H83-W86 PolarHBondContact O-N 2.94Å; A84-W86 VanDerWaalsContact C-N 3.33Å; A84-W86 PolarHBondContact O-N 2.99Å; W86-L88 HydrophobicContact CB-CD1 4.5Å
87G73Confident72.4Confident41 Ų4163.4 Ų63.442%0.42337%0.367SS..THydrogen-bonded Turntrans7731.2-177.700000113L20 H83 A84 E85L20-G87 WeakPolarHBondContact CD2-O 3.27Å; H83-G87 PolarHBondContact O-N 2.78Å; H83-G87 VanDerWaalsContact O-N 3.1Å; A84-G87 PolarHBondContact O-N 2.97Å; E85-G87 PolarHBondContact O-N 3.31Å
88L73Confident72Confident10 Ų1068.6 Ų68.65%0.05239%0.394CS..  trans-67.2141171.5-90.3151.6000110L20 L74 V77 V78 H83 W86 G90L20-L88 HydrophobicContact CD1-CD2 4.03Å; L20-L88 HydrophobicContact CD1-CG 3.94Å; L74-L88 HydrophobicContact CD2-CD1 4.41Å; L74-L88 HydrophobicContact CD2-CD2 4.31Å; V77-L88 HydrophobicContact CG1-CD1 4.1Å; V78-L88 HydrophobicContact CG2-CD1 3.93Å; H83-L88 HydrophobicContact CB-CB 4.16Å; H83-L88 HydrophobicContact CB-CD1 4.03Å; H83-L88 PolarHBondContact O-N 2.8Å; W86-L88 HydrophobicContact CB-CD1 4.5Å; L88-G90 PolarHBondContact O-N 2.95Å
89P65.2Low71.7Confident62 Ų6270.6 Ų70.640%0.40340%0.403SS..SBendtrans-65.8129.2174.9-15.630000110.7A96 F99P89-A96 WeakPolarHBondContact O-CA 3.14Å; P89-F99 HydrophobicContact CB-CD1 4.41Å; P89-F99 HydrophobicContact CB-CD2 4.43Å; P89-F99 HydrophobicContact CB-CG 4.35Å; P89-F99 HydrophobicContact CG-CD1 3.95Å; P89-F99 HydrophobicContact CG-CD2 4.44Å; P89-F99 HydrophobicContact CG-CE1 3.7Å; P89-F99 HydrophobicContact CG-CE2 4.24Å; P89-F99 HydrophobicContact CG-CG 4.32Å; P89-F99 HydrophobicContact CG-CZ 3.87Å
90G58.6Low71.4Confident29 Ų2964.3 Ų64.330%0.29937%0.374SS..  trans125.1126.9-178.500000111.6L88 T92 E95L88-G90 PolarHBondContact O-N 2.95Å; G90-T92 VanDerWaalsContact C-N 3.27Å; G90-E95 WeakPolarHBondContact CA-OE2 3.13Å
91E64.1Low71Confident184 Ų18465.3 Ų65.386%0.8637%0.37SS*.SBendtrans-77.1-18.5177.9-81.1-178.3163.500112.1E95E91-E95 PolarHBondContact N-OE2 2.89Å
92T71.6Confident70.7Confident67 Ų6766.2 Ų66.241%0.41137%0.366SS..SBendtrans-122.5156.2178.663.90000111.1G90 E94 E95 A96G90-T92 VanDerWaalsContact C-N 3.27Å; T92-E94 PolarHBondContact O-N 3.47Å; T92-E95 PolarHBondContact O-N 3.34Å; T92-E95 WeakPolarHBondContact OG1-CG 3.5Å; T92-E95 PolarHBondContact OG1-N 3.07Å; T92-A96 PolarHBondContact O-N 3.08Å; T92-A96 VanDerWaalsContact O-N 3.09Å
93A69.8Low70.1Confident40 Ų4065.3 Ų65.333%0.33136%0.358SS..Hα-helixtrans-58.2-31.5176.500000112.4V78 L97V78-A93 HydrophobicContact CG1-CB 3.82Å; V78-A93 WeakPolarHBondContact CG1-O 3.26Å; A93-L97 WeakPolarHBondContact O-CB 3.21Å; A93-L97 PolarHBondContact O-N 3.36Å
94E69.8Low69.3Low158 Ų15867.2 Ų67.274%0.73837%0.374SS*.Hα-helixtrans-68.5-43.5176.7-70.4179.3160.600112T92 L97 D98T92-E94 PolarHBondContact O-N 3.47Å; E94-L97 PolarHBondContact O-N 3.21Å; E94-D98 WeakPolarHBondContact O-CB 3.42Å; E94-D98 PolarHBondContact O-N 2.86Å
95E72.9Confident68.1Low102 Ų10270 Ų7048%0.47737%0.372SS..Hα-helixtrans-65.1-39.2175.6-74.1-179.4163.200112.2G90 E91 T92 L97 D98 F99G90-E95 WeakPolarHBondContact CA-OE2 3.13Å; E91-E95 PolarHBondContact N-OE2 2.89Å; T92-E95 PolarHBondContact O-N 3.34Å; T92-E95 WeakPolarHBondContact OG1-CG 3.5Å; T92-E95 PolarHBondContact OG1-N 3.07Å; E95-L97 VanDerWaalsContact C-N 3.34Å; E95-D98 PolarHBondContact O-N 3.07Å; E95-F99 PolarHBondContact O-N 3.08Å
96A71.1Confident66.7Low0 Ų067.2 Ų67.20%036%0.359CS..Hα-helixtrans-66.6-36.5176.500000112.1V78 H83 P89 T92 M100V78-A96 HydrophobicContact CG1-CB 4.14Å; V78-A96 HydrophobicContact CG2-CB 3.81Å; H83-A96 HydrophobicContact CB-CB 4.27Å; P89-A96 WeakPolarHBondContact O-CA 3.14Å; T92-A96 PolarHBondContact O-N 3.08Å; T92-A96 VanDerWaalsContact O-N 3.09Å; A96-M100 WeakPolarHBondContact O-CB 3.19Å; A96-M100 WeakPolarHBondContact O-CG 3.28Å; A96-M100 PolarHBondContact O-N 3.09Å; A96-M100 VanDerWaalsContact O-N 3.1Å
97L71.2Confident64.9Low53 Ų5368.2 Ų68.228%0.27737%0.365SS..Hα-helixtrans-68-40172.6-88.8162.9000112.2E75 V78 A93 E94 E95 M100 Y101E75-L97 HydrophobicContact CG-CD2 3.75Å; V78-L97 HydrophobicContact CG1-CD1 4.29Å; V78-L97 HydrophobicContact CG1-CG 4Å; A93-L97 WeakPolarHBondContact O-CB 3.21Å; A93-L97 PolarHBondContact O-N 3.36Å; E94-L97 PolarHBondContact O-N 3.21Å; E95-L97 VanDerWaalsContact C-N 3.34Å; L97-M100 CarbonylContact O-C 3.47Å; L97-M100 WeakPolarHBondContact O-CB 3.1Å; L97-M100 PolarHBondContact O-N 2.87Å; L97-Y101 PolarHBondContact O-N 3.37Å
98D72.4Confident63.1Low109 Ų10972.6 Ų72.658%0.58338%0.378SS*.Hα-helixtrans-65.5-41.3177.4-171.462.4000111.8E94 E95 M100 Y101 T102E94-D98 WeakPolarHBondContact O-CB 3.42Å; E94-D98 PolarHBondContact O-N 2.86Å; E95-D98 PolarHBondContact O-N 3.07Å; D98-M100 VanDerWaalsContact C-N 3.3Å; D98-M100 PolarHBondContact O-N 3.37Å; D98-Y101 PolarHBondContact O-N 3.36Å; D98-T102 WeakPolarHBondContact O-CB 3.15Å; D98-T102 PolarHBondContact O-N 3.07Å; D98-T102 PolarHBondContact O-OG1 2.92Å
99F73.9Confident61.1Low45 Ų4581 Ų8120%0.19741%0.414CS..Hα-helixtrans-58.9-42.8171.2-178.4-104.8000111.5V16 P89 E95 T102 L103V16-F99 HydrophobicContact CG1-CE1 4.42Å; P89-F99 HydrophobicContact CB-CD1 4.41Å; P89-F99 HydrophobicContact CB-CD2 4.43Å; P89-F99 HydrophobicContact CB-CG 4.35Å; P89-F99 HydrophobicContact CG-CD1 3.95Å; P89-F99 HydrophobicContact CG-CD2 4.44Å; P89-F99 HydrophobicContact CG-CE1 3.7Å; P89-F99 HydrophobicContact CG-CE2 4.24Å; P89-F99 HydrophobicContact CG-CG 4.32Å; P89-F99 HydrophobicContact CG-CZ 3.87Å; E95-F99 PolarHBondContact O-N 3.08Å; F99-T102 PolarHBondContact O-N 3.22Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CE1-CD1 3.49Å; F99-L103 VanDerWaalsContact CE1-CD1 3.49Å; F99-L103 HydrophobicContact CE1-CG 4.37Å; F99-L103 HydrophobicContact CZ-CD1 3.99Å; F99-L103 HydrophobicContact CZ-CG 4.47Å; F99-L103 WeakPolarHBondContact O-CG 3.02Å; F99-L103 PolarHBondContact O-N 2.65Å
100M71.5Confident59.6Low11 Ų1181.5 Ų81.55%0.05442%0.419CS..Hα-helixtrans-64-44.4175.5-85.6-96.663.400113.4A71 L74 A96 L97 D98 T102 L103 S104A71-M100 HydrophobicContact CB-CE 4.45Å; L74-M100 HydrophobicContact CB-CE 4.27Å; L74-M100 HydrophobicContact CB-CG 4.41Å; L74-M100 HydrophobicContact CB-SD 3.15Å; L74-M100 WeakPolarHBondContact CB-SD 3.46Å; L74-M100 HydrophobicContact CD1-CE 3.67Å; L74-M100 HydrophobicContact CD1-SD 3.68Å; L74-M100 HydrophobicContact CG-SD 4.04Å; A96-M100 WeakPolarHBondContact O-CB 3.19Å; A96-M100 WeakPolarHBondContact O-CG 3.28Å; A96-M100 PolarHBondContact O-N 3.09Å; A96-M100 VanDerWaalsContact O-N 3.1Å; L97-M100 CarbonylContact O-C 3.47Å; L97-M100 WeakPolarHBondContact O-CB 3.1Å; L97-M100 PolarHBondContact O-N 2.87Å; D98-M100 VanDerWaalsContact C-N 3.3Å; D98-M100 PolarHBondContact O-N 3.37Å; M100-T102 VanDerWaalsContact C-N 3.29Å; M100-T102 PolarHBondContact O-N 2.87Å; M100-L103 HydrophobicContact CE-CB 4.3Å; M100-L103 HydrophobicContact CE-CD1 3.84Å; M100-L103 WeakPolarHBondContact O-CB 3.48Å; M100-L103 PolarHBondContact O-N 3.4Å; M100-S104 PolarHBondContact O-N 3.33Å; M100-S104 VanDerWaalsContact O-N 3.12Å
101Y67.4Low58.4Low137 Ų13783.7 Ų83.754%0.53743%0.434SS..Hα-helixtrans-62.3-39.6178.3-119.4-92.8000111.3L97 D98 L103 S104 F105L97-Y101 PolarHBondContact O-N 3.37Å; D98-Y101 PolarHBondContact O-N 3.36Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 2.9Å; Y101-S104 PolarHBondContact O-N 3.06Å; Y101-F105 AromaticContact CD1-CD2 3.98Å; Y101-F105 HydrophobicContact CD1-CD2 3.98Å; Y101-F105 AromaticContact CD1-CE2 3.82Å; Y101-F105 HydrophobicContact CD1-CE2 3.82Å; Y101-F105 AromaticContact CE1-CE2 3.95Å; Y101-F105 HydrophobicContact CE1-CE2 3.95Å; Y101-F105 PolarHBondContact O-N 3.42Å
102T69.5Low56.8Low68 Ų6881.8 Ų81.842%0.41743%0.43SS..Hα-helixtrans-61.4-40.8175.2-58.70000112D98 F99 M100 S104 F105 Q106D98-T102 WeakPolarHBondContact O-CB 3.15Å; D98-T102 PolarHBondContact O-N 3.07Å; D98-T102 PolarHBondContact O-OG1 2.92Å; F99-T102 PolarHBondContact O-N 3.22Å; M100-T102 VanDerWaalsContact C-N 3.29Å; M100-T102 PolarHBondContact O-N 2.87Å; T102-S104 VanDerWaalsContact C-N 3.34Å; T102-S104 PolarHBondContact O-N 3.05Å; T102-F105 PolarHBondContact O-N 3.33Å; T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.84Å
103L64.1Low54.9Low4 Ų482.4 Ų82.42%0.02144%0.442CS..Hα-helixtrans-66.4-34176.5-69.3165.2000113K11 V16 F99 M100 Y101 N107K11-L103 WeakPolarHBondContact O-CD2 3.49Å; V16-L103 HydrophobicContact CG2-CD1 3.9Å; V16-L103 HydrophobicContact CG2-CD2 4.2Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CE1-CD1 3.49Å; F99-L103 VanDerWaalsContact CE1-CD1 3.49Å; F99-L103 HydrophobicContact CE1-CG 4.37Å; F99-L103 HydrophobicContact CZ-CD1 3.99Å; F99-L103 HydrophobicContact CZ-CG 4.47Å; F99-L103 WeakPolarHBondContact O-CG 3.02Å; F99-L103 PolarHBondContact O-N 2.65Å; M100-L103 HydrophobicContact CE-CB 4.3Å; M100-L103 HydrophobicContact CE-CD1 3.84Å; M100-L103 WeakPolarHBondContact O-CB 3.48Å; M100-L103 PolarHBondContact O-N 3.4Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 2.9Å; L103-N107 PolarHBondContact O-ND2 3.36Å
104S54.1Low53Low60 Ų6088 Ų8842%0.4247%0.466SS..Hα-helixtrans-71.7-43.7177.8-158.30000111.5M100 Y101 T102 Q106 N107M100-S104 PolarHBondContact O-N 3.33Å; M100-S104 VanDerWaalsContact O-N 3.12Å; Y101-S104 PolarHBondContact O-N 3.06Å; T102-S104 VanDerWaalsContact C-N 3.34Å; T102-S104 PolarHBondContact O-N 3.05Å; S104-Q106 PolarHBondContact O-N 2.72Å; S104-N107 PolarHBondContact O-N 3.5Å
105F46.2Very low51.1Low137 Ų13786.6 Ų86.660%0.60147%0.468SS*.Hα-helixtrans-66.3-32.8179.7-99-82000114.2Y101 T102 N107 L108Y101-F105 AromaticContact CD1-CD2 3.98Å; Y101-F105 HydrophobicContact CD1-CD2 3.98Å; Y101-F105 AromaticContact CD1-CE2 3.82Å; Y101-F105 HydrophobicContact CD1-CE2 3.82Å; Y101-F105 AromaticContact CE1-CE2 3.95Å; Y101-F105 HydrophobicContact CE1-CE2 3.95Å; Y101-F105 PolarHBondContact O-N 3.42Å; T102-F105 PolarHBondContact O-N 3.33Å; F105-N107 VanDerWaalsContact C-N 3.26Å; F105-N107 PolarHBondContact O-N 2.96Å; F105-L108 PolarHBondContact O-N 3.34Å
106Q44.8Very low48.9Very low81 Ų8193.5 Ų93.538%0.37949%0.49SS..Hα-helixtrans-65.1-29.7176.2-74.7-174.40.200112.7C9 T102 S104C9-Q106 PolarHBondContact O-NE2 3.03Å; C9-Q106 PolarHBondContact O-OE1 3.02Å; T102-Q106 WeakPolarHBondContact O-CG 3.36Å; T102-Q106 PolarHBondContact O-N 2.84Å; S104-Q106 PolarHBondContact O-N 2.72Å
107N39.1Very low46.8Very low35 Ų3597.1 Ų97.119%0.18753%0.527CS..Hα-helixtrans-78.8-25.8-178.6-77.9-80.1000113.1P13 Q67 L103 S104 F105 K109 S110P13-N107 WeakPolarHBondContact CD-ND2 3.45Å; Q67-N107 PolarHBondContact NE2-OD1 3.37Å; Q67-N107 VanDerWaalsContact NE2-OD1 3.14Å; L103-N107 PolarHBondContact O-ND2 3.36Å; S104-N107 PolarHBondContact O-N 3.5Å; F105-N107 VanDerWaalsContact C-N 3.26Å; F105-N107 PolarHBondContact O-N 2.96Å; N107-K109 PolarHBondContact O-N 2.91Å; N107-S110 PolarHBondContact O-N 3.35Å; N107-S110 VanDerWaalsContact O-N 3.12Å; N107-S110 PolarHBondContact O-OG 2.91Å
108L34.5Very low44.5Very low132 Ų132102.7 Ų102.769%0.69156%0.556SS**Hα-helixtrans-62.4-29.1175.9-114.183.8000113F105 S110F105-L108 PolarHBondContact O-N 3.34Å; L108-S110 VanDerWaalsContact C-N 3.34Å
109K32.5Very low42.4Very low188 Ų188103.8 Ų103.882%0.81757%0.567SS**THydrogen-bonded Turntrans-81-10.6177.4-72.5-175.4178.31780114.3N107N107-K109 PolarHBondContact O-N 2.91Å
110S33.6Very low40Very low71 Ų71110.1 Ų110.150%0.49760%0.602SS.*THydrogen-bonded Turntrans-94.7-8.1-174.968.90000114.5N107 L108N107-S110 PolarHBondContact O-N 3.35Å; N107-S110 VanDerWaalsContact O-N 3.12Å; N107-S110 PolarHBondContact O-OG 2.91Å; L108-S110 VanDerWaalsContact C-N 3.34Å
111A33Very low37.9Very low75 Ų75113.2 Ų113.262%0.6264%0.637SS**SBendtrans-78.4-23.617900000113.7
112D29.3Very low35.9Very low145 Ų145111.4 Ų111.478%0.77565%0.651SS**SBendtrans-101.76.5-174.1-68.4-34.8000114.9
113A31.5Very low33.8Very low80 Ų80113.4 Ų113.466%0.66167%0.674SS**SBendtrans-96.9-1.7-178.300000115
114N31Very low32.2Very low157 Ų157116.8 Ų116.884%0.8471%0.709SS**SBendtrans-107.515.6-175.3-136.613.2000115.1
115T30.3Very low30.9Very low128 Ų128122.4 Ų122.479%0.78573%0.729SS**  trans-112.845.5175.1-45.60000111.3
116R25.8Very low30.2Very low248 Ų248127.1 Ų127.194%0.93674%0.743SS**  trans-13386.5168-82.7-174.9162.5167-4.2109.7
117G26.9Very low29.7Very low75 Ų75129.7 Ų129.777%0.77376%0.758SS**  trans-173.429.9175.800000113.6
118L23.2Very low29.4Very low170 Ų170135.4 Ų135.489%0.8979%0.788SS**  trans-104.392.9164.9-88.2162.2000107.2
119T27.3Very low29.1Very low132 Ų132132.8 Ų132.881%0.8179%0.793SS**  trans-136.6109.7161.649.10000108.6
120L23.9Very low29.3Very low178 Ų178129 Ų12993%0.93280%0.797SS**  trans-50134.2151.5-89.775.4000108.6
121G27.3Very low29Very low77 Ų77132.8 Ų132.879%0.79481%0.812SS**  trans-174.8116.1172.700000110.7
122A26.1Very low29.1Very low99 Ų99132.8 Ų132.882%0.81882%0.819SS**  trans-77.4162.8-170.600000114.3
123A26Very low29.2Very low110 Ų110130.8 Ų130.891%0.90981%0.812SS**  trans67.4134.9148.500000119.8
124G30.3Very low29Very low74 Ų74134.7 Ų134.776%0.76382%0.822SS**  trans145.689.2158.500000114.5
125E26.5Very low28.9Very low179 Ų179131.1 Ų131.184%0.83682%0.823SS**  trans-54.2149.6172.1-66.9137.6114.400114.2
126R31.5Very low28.7Very low236 Ų236129.3 Ų129.389%0.89183%0.829SS**  -168.799.4120.7-101165.6-179.6-137.8-1.2114
127I35.1Very low28.8Very low134 Ų134121 Ų12169%0.68782%0.82SS**  trans3.2145.9135.450.4168.6000122.4
128N32.7Very low29Very low155 Ų155126 Ų12683%0.82983%0.826SS**  trans89.3126.7154.6-55.2-24.3000117.4
129G28.2Very low29.3Very low77 Ų77122.4 Ų122.479%0.79482%0.821SS**  cis146.1135.15.800000109
130A36.2Very low29.7Very low109 Ų109123.2 Ų123.290%0.90182%0.815SS**  trans-168.1107.3150.700000110.5
131D27.2Very low30.4Very low151 Ų151122.8 Ų122.881%0.80781%0.809SS**  trans-41.4158.4170.1-162.918.7000118.3
132G34.3Very low31.3Very low75 Ų75124.2 Ų124.277%0.77381%0.807SS**  trans174.897175.400000110.1
133T32Very low32.3Very low103 Ų103123.9 Ų123.963%0.63279%0.794SS**  trans-84164.9-162.846.20000116.3
134D28.3Very low33.6Very low161 Ų161119.6 Ų119.686%0.86176%0.758SS**  trans94.5113151.6-61.2-24.6000121
135G28.7Very low35.2Very low83 Ų83121 Ų12186%0.85675%0.748SS**  trans140.681.2150.600000117.3
136G25.3Very low38Very low89 Ų89119.5 Ų119.592%0.91874%0.739SS**  trans51.8123.8143.100000122.2
137G28Very low40.8Very low73 Ų73108.6 Ų108.675%0.75370%0.699SS**  trans130.2101.3148.700000117.4
138M30.6Very low43.3Very low180 Ų180102.8 Ų102.889%0.88767%0.671SS**  trans29.8111147.4-78.2128.8161.200121.2Q140M138-Q140 PolarHBondContact O-N 2.94Å
139A29.6Very low46Very low96 Ų9698.3 Ų98.379%0.79366%0.656SS**  23.684.1127.100000119.1
140Q35.8Very low49Very low148 Ų14899 Ų9969%0.69264%0.64SS**  trans-169.447.4159.5-113.2158.2-1.600114.3M138M138-Q140 PolarHBondContact O-N 2.94Å
141Q38.6Very low51.6Low169 Ų16993.8 Ų93.879%0.7960%0.598SS**THydrogen-bonded Turntrans-101.80.9-173.9-137.8148.122.600115.8
142S45.9Very low54.4Low108 Ų10891 Ų9176%0.75558%0.58SS**THydrogen-bonded Turntrans-96.4-24.6178.553.50000114.6
143T47.3Very low57Low91 Ų9191.8 Ų91.856%0.55856%0.563SS**THydrogen-bonded Turntrans-92-26.2179.753.10000113.6N145 K146T143-N145 PolarHBondContact O-N 3.44Å; T143-K146 PolarHBondContact O-N 2.99Å
144S54.3Low59.5Low20 Ų2089.5 Ų89.514%0.1454%0.544CS..THydrogen-bonded Turntrans-61.6-19.4-175.1-174.80000114.4Q202S144-Q202 VanDerWaalsContact O-CB 3.25Å; S144-Q202 WeakPolarHBondContact O-CB 3.45Å
145N64.4Low62.2Low105 Ų10582 Ų8256%0.56150%0.504SS*.THydrogen-bonded Turntrans-90.1-4.5-174.1-69.4-30000114.4T143 Q202T143-N145 PolarHBondContact O-N 3.44Å; N145-Q202 PolarHBondContact O-NE2 2.86Å
146K83.7Confident64.5Low147 Ų14781.4 Ų81.464%0.63949%0.487SS*.THydrogen-bonded Turntrans-125.42.6-176.8-64.5-174.7-178.21780115T143 A148 A149 L150 Q202T143-K146 PolarHBondContact O-N 2.99Å; K146-A148 VanDerWaalsContact C-N 3.29Å; K146-A148 PolarHBondContact O-N 3.39Å; K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.41Å; K146-L150 PolarHBondContact O-N 2.88Å; K146-Q202 VanDerWaalsContact C-OE1 3.32Å
147A89.9Confident67.2Low6 Ų684.4 Ų84.45%0.0548%0.475CS..Hα-helixtrans-51.3-42-179.800000113.8A149 L150 L151 Q202 A205 R206A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 2.86Å; A147-L150 PolarHBondContact O-N 3.19Å; A147-L151 WeakPolarHBondContact O-CB 3Å; A147-L151 PolarHBondContact O-N 2.7Å; A147-Q202 WeakPolarHBondContact CB-O 3.23Å; A147-A205 HydrophobicContact CB-CB 4.27Å; A147-R206 HydrophobicContact CB-CB 3.94Å
148A88.1Confident69.5Low12 Ų1283.4 Ų83.410%0.09946%0.457CS..Hα-helixtrans-66.1-34178.100000113.3K146 H152 K201 A205K146-A148 VanDerWaalsContact C-N 3.29Å; K146-A148 PolarHBondContact O-N 3.39Å; A148-H152 WeakPolarHBondContact O-CB 3.18Å; A148-H152 PolarHBondContact O-N 2.96Å; A148-K201 HydrophobicContact CB-CG 4.43Å; A148-A205 VanDerWaalsContact CA-CB 3.48Å; A148-A205 HydrophobicContact CB-CB 3.96Å
149A90Very high71.4Confident62 Ų6283.1 Ų83.151%0.51245%0.45SS..Hα-helixtrans-72.8-41.7175.300000110.8K146 A147 H152 E153K146-A149 WeakPolarHBondContact O-CB 3.28Å; K146-A149 PolarHBondContact O-N 3.41Å; A147-A149 VanDerWaalsContact C-N 3.33Å; A147-A149 PolarHBondContact O-N 2.86Å; A149-H152 PolarHBondContact O-N 2.73Å; A149-E153 WeakPolarHBondContact O-CB 3.36Å; A149-E153 PolarHBondContact O-N 3.49Å
150L91.4Very high73.7Confident90 Ų9080.5 Ų80.547%0.47142%0.42SS..Hα-helixtrans-63-42.9176-69.2172.4000112K146 A147 H152 E153 K154 L209K146-L150 PolarHBondContact O-N 2.88Å; A147-L150 PolarHBondContact O-N 3.19Å; L150-H152 VanDerWaalsContact C-N 3.34Å; L150-H152 PolarHBondContact O-N 3.23Å; L150-E153 PolarHBondContact O-N 2.87Å; L150-K154 WeakPolarHBondContact O-CB 3.29Å; L150-K154 PolarHBondContact O-N 3.04Å; L150-L209 HydrophobicContact CB-CD1 4.19Å
151L90.1Very high75.4Confident1 Ų177.5 Ų77.51%0.00541%0.405CS..Hα-helixtrans-60.3-45.3175.3177.962.9000111.1A147 E153 K154 C155 P163 V183 V185 A205 L208 L209A147-L151 WeakPolarHBondContact O-CB 3Å; A147-L151 PolarHBondContact O-N 2.7Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 2.9Å; L151-K154 PolarHBondContact O-N 3.49Å; L151-C155 PolarHBondContact O-N 2.83Å; L151-C155 PolarHBondContact O-SG 3.11Å; L151-P163 HydrophobicContact CD2-CB 4.04Å; L151-P163 HydrophobicContact CG-CB 4.36Å; L151-P163 HydrophobicContact CG-CG 4.45Å; L151-V183 HydrophobicContact CD2-CG2 3.81Å; L151-V185 HydrophobicContact CD1-CG2 4.47Å; L151-A205 HydrophobicContact CB-CB 4.21Å; L151-A205 HydrophobicContact CD2-CB 3.84Å; L151-L208 HydrophobicContact CD1-CD2 4.05Å; L151-L208 HydrophobicContact CD2-CB 4.34Å; L151-L208 HydrophobicContact CD2-CD2 3.71Å; L151-L208 HydrophobicContact CG-CD2 4.5Å; L151-L209 HydrophobicContact CB-CD1 4.06Å; L151-L209 HydrophobicContact CB-CD2 4.19Å; L151-L209 HydrophobicContact CB-CG 3.96Å; L151-L209 HydrophobicContact CD1-CD2 3.72Å; L151-L209 HydrophobicContact CD1-CG 3.88Å; L151-L209 HydrophobicContact CG-CG 4.46Å
152H87.4Confident77.2Confident92 Ų9274 Ų7443%0.42640%0.395SS..Hα-helixtrans-62.1-41.7176.8-175.869.8000112.3A148 A149 L150 S156 P163A148-H152 WeakPolarHBondContact O-CB 3.18Å; A148-H152 PolarHBondContact O-N 2.96Å; A149-H152 PolarHBondContact O-N 2.73Å; L150-H152 VanDerWaalsContact C-N 3.34Å; L150-H152 PolarHBondContact O-N 3.23Å; H152-S156 WeakPolarHBondContact O-CB 2.77Å; H152-S156 PolarHBondContact O-N 2.85Å; H152-S156 PolarHBondContact O-OG 3.02Å; H152-P163 HydrophobicContact CB-CG 4.38Å
153E87.7Confident79.2Confident91 Ų9169.4 Ų69.443%0.42536%0.362SS..Hα-helixtrans-62.8-44.6175.1-172.8-178.5163.700111.7A149 L150 L151 S156 K157A149-E153 WeakPolarHBondContact O-CB 3.36Å; A149-E153 PolarHBondContact O-N 3.49Å; L150-E153 PolarHBondContact O-N 2.87Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-E153 PolarHBondContact O-N 2.9Å; E153-S156 PolarHBondContact O-N 3.33Å; E153-K157 HydrophobicContact CG-CD 4.32Å; E153-K157 WeakPolarHBondContact O-CG 3.43Å; E153-K157 PolarHBondContact O-N 3.34Å; E153-K157 WeakPolarHBondContact OE1-CE 3.34Å; E153-K157 IonicContact OE1-NZ 3.9Å; E153-K157 PolarHBondContact OE1-NZ 2.93Å
154K85.6Confident81Confident56 Ų5669.4 Ų69.424%0.24336%0.362CS..Hα-helixtrans-63.4-43.4178.7-161.4173.9-173.6176.30111.4L150 L151 S158 W160 L209 E213L150-K154 WeakPolarHBondContact O-CB 3.29Å; L150-K154 PolarHBondContact O-N 3.04Å; L151-K154 PolarHBondContact O-N 3.49Å; K154-S158 VanDerWaalsContact O-CB 3.27Å; K154-S158 WeakPolarHBondContact O-CB 3.18Å; K154-S158 PolarHBondContact O-N 3.43Å; K154-S158 PolarHBondContact O-OG 3.11Å; K154-W160 HydrophobicContact CD-CZ3 4.26Å; K154-W160 HydrophobicContact CG-CH2 4.47Å; K154-W160 HydrophobicContact CG-CZ3 3.91Å; K154-L209 HydrophobicContact CB-CD2 4.35Å; K154-L209 HydrophobicContact CD-CD2 3.51Å; K154-E213 IonicContact NZ-OE1 2.78Å; K154-E213 PolarHBondContact NZ-OE1 3.26Å
155C84Confident82.7Confident2 Ų271.2 Ų71.21%0.01437%0.367CS..Hα-helixtrans-62.9-44.4175.8-630000111.6L151 S158 K159 W160L151-C155 PolarHBondContact O-N 2.83Å; L151-C155 PolarHBondContact O-SG 3.11Å; C155-S158 PolarHBondContact O-N 2.92Å; C155-K159 PolarHBondContact O-N 3.11Å; C155-W160 HydrophobicContact CB-CB 4.24Å; C155-W160 PolarHBondContact O-N 2.91Å
156S77.2Confident83.7Confident71 Ų7172 Ų7250%0.49737%0.367SS..Hα-helixtrans-64.6-44.4-179.4-58.60000112.1H152 E153 S158H152-S156 WeakPolarHBondContact O-CB 2.77Å; H152-S156 PolarHBondContact O-N 2.85Å; H152-S156 PolarHBondContact O-OG 3.02Å; E153-S156 PolarHBondContact O-N 3.33Å; S156-S158 VanDerWaalsContact C-N 3.34Å
157K81.6Confident84Confident153 Ų15369.5 Ų69.567%0.66536%0.361SS*.Hα-helixtrans-66.5-36.4177.5-73.7-177.8-175.1172.60112.4E153E153-K157 HydrophobicContact CG-CD 4.32Å; E153-K157 WeakPolarHBondContact O-CG 3.43Å; E153-K157 PolarHBondContact O-N 3.34Å; E153-K157 WeakPolarHBondContact OE1-CE 3.34Å; E153-K157 IonicContact OE1-NZ 3.9Å; E153-K157 PolarHBondContact OE1-NZ 2.93Å
158S75.9Confident84Confident52 Ų5271.8 Ų71.836%0.36438%0.379SS..THydrogen-bonded Turntrans-92.14.9-174.6-45.50000113.7K154 C155 S156 W160K154-S158 VanDerWaalsContact O-CB 3.27Å; K154-S158 WeakPolarHBondContact O-CB 3.18Å; K154-S158 PolarHBondContact O-N 3.43Å; K154-S158 PolarHBondContact O-OG 3.11Å; C155-S158 PolarHBondContact O-N 2.92Å; S156-S158 VanDerWaalsContact C-N 3.34Å; S158-W160 VanDerWaalsContact CB-CE2 3.44Å; S158-W160 PolarHBondContact O-N 3.32Å
159K71Confident84Confident174 Ų17472.8 Ų72.876%0.75739%0.391SS*.THydrogen-bonded Turntrans53.534.1-176.3-59.4-178178.8179.30113.8C155C155-K159 PolarHBondContact O-N 3.11Å
160W77.9Confident84.2Confident40 Ų4073.4 Ų73.415%0.15239%0.388CS..BIsolated β-bridgetrans-82167.3172.8-62.6-25.9000111.2K154 C155 S158 V185 V212 C220 L224K154-W160 HydrophobicContact CD-CZ3 4.26Å; K154-W160 HydrophobicContact CG-CH2 4.47Å; K154-W160 HydrophobicContact CG-CZ3 3.91Å; C155-W160 HydrophobicContact CB-CB 4.24Å; C155-W160 PolarHBondContact O-N 2.91Å; S158-W160 VanDerWaalsContact CB-CE2 3.44Å; S158-W160 PolarHBondContact O-N 3.32Å; W160-V185 HydrophobicContact CB-CG1 4.19Å; W160-V212 HydrophobicContact CH2-CG1 3.41Å; W160-V212 VanDerWaalsContact CH2-CG1 3.41Å; W160-V212 HydrophobicContact CZ2-CG1 4.47Å; W160-V212 HydrophobicContact CZ3-CG1 3.55Å; W160-C220 HydrophobicContact CZ2-CB 4.03Å; W160-L224 CarbonylContact C-O 3.57Å; W160-L224 WeakPolarHBondContact CA-O 3.24Å; W160-L224 HydrophobicContact CB-CB 4.03Å; W160-L224 WeakPolarHBondContact CB-O 3.37Å; W160-L224 HydrophobicContact CD2-CB 3.65Å; W160-L224 HydrophobicContact CD2-CD1 3.85Å; W160-L224 HydrophobicContact CD2-CG 4.33Å; W160-L224 HydrophobicContact CE3-CB 4.31Å; W160-L224 HydrophobicContact CE3-CD1 3.92Å; W160-L224 HydrophobicContact CG-CB 3.5Å; W160-L224 HydrophobicContact CH2-CD1 3.78Å; W160-L224 HydrophobicContact CZ2-CD1 3.69Å; W160-L224 HydrophobicContact CZ3-CD1 3.9Å
161F71.9Confident84.2Confident85 Ų8574.8 Ų74.837%0.37339%0.392SS..PPolyproline II helixtrans-55.4149.9171.9-77.5-78.1000111.7V185 L224 A225 Y226F161-V185 HydrophobicContact CB-CG1 4.48Å; F161-V185 WeakPolarHBondContact O-CG1 3.34Å; F161-L224 PolarHBondContact N-O 2.56Å; F161-A225 WeakPolarHBondContact CD2-O 3.23Å; F161-A225 WeakPolarHBondContact CE2-O 3.33Å; F161-Y226 HydrophobicContact CE1-CD2 4.2Å; F161-Y226 HydrophobicContact CZ-CD2 4.49Å
162T76.7Confident84.2Confident96 Ų9677.2 Ų77.259%0.58942%0.417SS*.PPolyproline II helixtrans-69.2132.4176.2-650000109.5V164T162-V164 PolarHBondContact O-N 3.23Å
163P87.2Confident84.1Confident11 Ų1176 Ų767%0.07142%0.417CS..PPolyproline II helixtrans-62120.617921.3-31.5000111.6L151 H152 Y165 V183 Q184 V185L151-P163 HydrophobicContact CD2-CB 4.04Å; L151-P163 HydrophobicContact CG-CB 4.36Å; L151-P163 HydrophobicContact CG-CG 4.45Å; H152-P163 HydrophobicContact CB-CG 4.38Å; P163-Y165 HydrophobicContact CB-CE2 3.89Å; P163-Y165 HydrophobicContact CG-CE2 4.3Å; P163-V183 HydrophobicContact CB-CG2 4.1Å; P163-Q184 CarbonylContact C-O 3.51Å; P163-Q184 WeakPolarHBondContact CA-O 3.49Å; P163-V185 HydrophobicContact CB-CG2 3.61Å
164V84.6Confident83.9Confident92 Ų9277 Ų7756%0.55843%0.434SS*.EExtended strand (participates in β ladder)trans-93.6135.7175.3-178.30000108.7T162 V183 Q184T162-V164 PolarHBondContact O-N 3.23Å; V164-V183 CarbonylContact O-C 3.48Å; V164-V183 VanDerWaalsContact O-CA 3.27Å; V164-V183 WeakPolarHBondContact O-CA 3.36Å; V164-Q184 PolarHBondContact N-O 3.24Å; V164-Q184 PolarHBondContact O-N 3.3Å
165Y89.5Confident83.9Confident58 Ų5882 Ų8223%0.22746%0.458CS..EExtended strand (participates in β ladder)trans-120.9134.9178.4-64.4-94.5000110P163 I181 S182 V183 K201 A205P163-Y165 HydrophobicContact CB-CE2 3.89Å; P163-Y165 HydrophobicContact CG-CE2 4.3Å; Y165-I181 HydrophobicContact CD1-CG2 3.97Å; Y165-S182 WeakPolarHBondContact CA-O 3.43Å; Y165-V183 HydrophobicContact CD1-CB 3.8Å; Y165-V183 HydrophobicContact CD1-CG2 3.78Å; Y165-V183 HydrophobicContact CE1-CB 3.69Å; Y165-V183 HydrophobicContact CE1-CG2 3.4Å; Y165-V183 HydrophobicContact CE2-CG2 4.16Å; Y165-V183 HydrophobicContact CG-CG2 4.34Å; Y165-K201 HydrophobicContact CD1-CD 4.17Å; Y165-K201 HydrophobicContact CD1-CG 3.64Å; Y165-K201 HydrophobicContact CE1-CD 4.3Å; Y165-K201 HydrophobicContact CE1-CG 3.6Å; Y165-K201 HydrophobicContact CG-CD 4.41Å; Y165-K201 HydrophobicContact CG-CG 4.36Å; Y165-A205 HydrophobicContact CE1-CB 4.32Å
166E86Confident84.1Confident120 Ų12086.4 Ų86.456%0.56148%0.482SS*.EExtended strand (participates in β ladder)trans-133.7144.3-179.3-170.8176.6-162.400110.4A168 I181 S182E166-A168 PolarHBondContact O-N 2.93Å; E166-I181 WeakPolarHBondContact O-CA 3.17Å; E166-S182 PolarHBondContact N-O 2.96Å; E166-S182 PolarHBondContact O-N 3.25Å
167D90.4Very high84.7Confident96 Ų9686.1 Ų86.151%0.51347%0.474SS..EExtended strand (participates in β ladder)trans-73.3109174.8-76.7-26.9000108.9I181 K197D167-I181 WeakPolarHBondContact OD1-CD1 3.21Å; D167-K197 IonicContact OD1-NZ 2.99Å; D167-K197 IonicContact OD2-NZ 3.59Å; D167-K197 PolarHBondContact OD2-NZ 2.79Å
168A89.3Confident85.3Confident53 Ų5381 Ų8144%0.43846%0.455SS..EExtended strand (participates in β ladder)trans-89.8-12-174.900000113.6E166 Y180 I191E166-A168 PolarHBondContact O-N 2.93Å; A168-Y180 PolarHBondContact N-O 2.82Å; A168-I191 HydrophobicContact CB-CG2 4.36Å
169G89.5Confident86.2Confident33 Ų3380.4 Ų80.434%0.3445%0.446SS..EExtended strand (participates in β ladder)trans150.8171.7175.300000114Y180G169-Y180 PolarHBondContact N-O 3Å; G169-Y180 PolarHBondContact O-N 3.43Å
170V92.8Very high87.4Confident76 Ų7675.5 Ų75.546%0.46142%0.424SS..EExtended strand (participates in β ladder)trans-137.4128.9170.7-171.20000107.7L177 V178 F179V170-L177 HydrophobicContact CG1-CB 4.13Å; V170-L177 HydrophobicContact CG1-CD2 4.06Å; V170-L177 HydrophobicContact CG1-CG 4.47Å; V170-V178 CarbonylContact C-O 3.51Å; V170-V178 VanDerWaalsContact CA-O 3.31Å; V170-V178 WeakPolarHBondContact CA-O 3.06Å; V170-F179 HydrophobicContact CB-CD1 4.36Å; V170-F179 HydrophobicContact CG1-CD1 4Å; V170-F179 HydrophobicContact CG1-CE1 3.89Å; V170-F179 HydrophobicContact CG1-CG 4.4Å; V170-F179 HydrophobicContact CG1-CZ 4.21Å; V170-F179 HydrophobicContact CG2-CD1 3.46Å; V170-F179 VanDerWaalsContact CG2-CD1 3.46Å; V170-F179 HydrophobicContact CG2-CE1 3.73Å; V170-F179 HydrophobicContact CG2-CG 4.34Å
171E91.4Very high88.2Confident119 Ų11973.9 Ų73.956%0.55642%0.418SS*.EExtended strand (participates in β ladder)trans-129.9160.8179.6-61.8-178.1155.400111L177 V178 Y180E171-L177 WeakPolarHBondContact O-CA 3.38Å; E171-V178 PolarHBondContact N-O 3Å; E171-V178 PolarHBondContact O-N 2.9Å; E171-Y180 HydrophobicContact CB-CE2 4.02Å; E171-Y180 HydrophobicContact CG-CE2 3.89Å; E171-Y180 PolarHBondContact OE2-OH 2.86Å
172G89.8Confident89Confident51 Ų5170.1 Ų70.153%0.52640%0.402SS..SBendtrans103.2170.2175.500000114.2L177G172-L177 WeakPolarHBondContact O-CD2 3.39Å
173P85.1Confident89.8Confident67 Ų6765.5 Ų65.544%0.43537%0.374SS..  trans-70.1158.2177.930.6-34000110.7H175 N176 L177P173-H175 PolarHBondContact O-N 2.94Å; P173-N176 HydrophobicContact CG-CB 4.06Å; P173-N176 CarbonylContact O-C 3.51Å; P173-N176 VanDerWaalsContact O-C 3.25Å; P173-N176 PolarHBondContact O-N 2.86Å; P173-L177 WeakPolarHBondContact O-CD2 3.42Å; P173-L177 PolarHBondContact O-N 2.89Å
174S84.8Confident89.8Confident112 Ų11268.8 Ų68.878%0.78339%0.388SS*.THydrogen-bonded Turntrans-54.4-27.5-174.355.50000115
175H84.4Confident89.7Confident161 Ų16164.5 Ų64.575%0.74536%0.362SS*.THydrogen-bonded Turntrans-90-6.4178.260.2-90.1000114.1P173P173-H175 PolarHBondContact O-N 2.94Å
176N89.8Confident89Confident95 Ų9562.8 Ų62.851%0.50836%0.362SS..SBendtrans-146.660.4-179.4-168.223.3000111.2P173P173-N176 HydrophobicContact CG-CB 4.06Å; P173-N176 CarbonylContact O-C 3.51Å; P173-N176 VanDerWaalsContact O-C 3.25Å; P173-N176 PolarHBondContact O-N 2.86Å
177L89.6Confident88.6Confident65 Ų6560.2 Ų60.234%0.3436%0.362SS..  trans-76.7132.6179.4-64.7173.8000111.4V170 E171 G172 P173 F179V170-L177 HydrophobicContact CG1-CB 4.13Å; V170-L177 HydrophobicContact CG1-CD2 4.06Å; V170-L177 HydrophobicContact CG1-CG 4.47Å; E171-L177 WeakPolarHBondContact O-CA 3.38Å; G172-L177 WeakPolarHBondContact O-CD2 3.39Å; P173-L177 WeakPolarHBondContact O-CD2 3.42Å; P173-L177 PolarHBondContact O-N 2.89Å; L177-F179 HydrophobicContact CB-CE2 3.84Å; L177-F179 HydrophobicContact CB-CZ 4.19Å; L177-F179 HydrophobicContact CD1-CZ 4.31Å
178V94.6Very high88.2Confident44 Ų4456.8 Ų56.827%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-108124.1169.9-176.20000108.2V170 E171 Y180V170-V178 CarbonylContact C-O 3.51Å; V170-V178 VanDerWaalsContact CA-O 3.31Å; V170-V178 WeakPolarHBondContact CA-O 3.06Å; E171-V178 PolarHBondContact N-O 3Å; E171-V178 PolarHBondContact O-N 2.9Å; V178-Y180 HydrophobicContact CB-CE2 4.21Å; V178-Y180 HydrophobicContact CG1-CD2 4.41Å; V178-Y180 HydrophobicContact CG1-CE2 3.84Å
179F93.2Very high88.1Confident40 Ų4059.2 Ų59.218%0.17534%0.344CS..EExtended strand (participates in β ladder)trans-98.9139.9177.5-62.8-97.4000109.3V170 L177 S193 G194 R195 N196 K197 A200V170-F179 HydrophobicContact CB-CD1 4.36Å; V170-F179 HydrophobicContact CG1-CD1 4Å; V170-F179 HydrophobicContact CG1-CE1 3.89Å; V170-F179 HydrophobicContact CG1-CG 4.4Å; V170-F179 HydrophobicContact CG1-CZ 4.21Å; V170-F179 HydrophobicContact CG2-CD1 3.46Å; V170-F179 VanDerWaalsContact CG2-CD1 3.46Å; V170-F179 HydrophobicContact CG2-CE1 3.73Å; V170-F179 HydrophobicContact CG2-CG 4.34Å; L177-F179 HydrophobicContact CB-CE2 3.84Å; L177-F179 HydrophobicContact CB-CZ 4.19Å; L177-F179 HydrophobicContact CD1-CZ 4.31Å; F179-S193 CarbonylContact O-C 3.32Å; F179-S193 WeakPolarHBondContact O-CA 3.49Å; F179-G194 PolarHBondContact N-O 3.18Å; F179-G194 PolarHBondContact O-N 3.41Å; F179-R195 WeakPolarHBondContact CE2-O 3.3Å; F179-N196 VanDerWaalsContact CD2-CA 3.43Å; F179-K197 HydrophobicContact CB-CG 4.32Å; F179-K197 HydrophobicContact CD1-CD 4.46Å; F179-K197 HydrophobicContact CD1-CG 3.55Å; F179-K197 HydrophobicContact CE1-CG 4.14Å; F179-K197 HydrophobicContact CG-CG 4.08Å; F179-A200 HydrophobicContact CB-CB 4.19Å; F179-A200 VanDerWaalsContact O-CB 3.24Å; F179-A200 WeakPolarHBondContact O-CB 3.47Å
180Y96.1Very high88.4Confident71 Ų7160.6 Ų60.628%0.27834%0.341SS..EExtended strand (participates in β ladder)trans-115.2131.2176.9-63.2-98000109.3A168 G169 E171 V178 I191 G192A168-Y180 PolarHBondContact N-O 2.82Å; G169-Y180 PolarHBondContact N-O 3Å; G169-Y180 PolarHBondContact O-N 3.43Å; E171-Y180 HydrophobicContact CB-CE2 4.02Å; E171-Y180 HydrophobicContact CG-CE2 3.89Å; E171-Y180 PolarHBondContact OE2-OH 2.86Å; V178-Y180 HydrophobicContact CB-CE2 4.21Å; V178-Y180 HydrophobicContact CG1-CD2 4.41Å; V178-Y180 HydrophobicContact CG1-CE2 3.84Å; Y180-I191 HydrophobicContact CD1-CG2 4.27Å; Y180-G192 WeakPolarHBondContact CA-O 3.49Å
181I94.7Very high88.4Confident7 Ų760.6 Ų60.64%0.03634%0.338CS..EExtended strand (participates in β ladder)trans-125.8127.3176.1-62.2-65000107.5Y165 E166 D167 I191 G192 A200 K201 A204Y165-I181 HydrophobicContact CD1-CG2 3.97Å; E166-I181 WeakPolarHBondContact O-CA 3.17Å; D167-I181 WeakPolarHBondContact OD1-CD1 3.21Å; I181-I191 WeakPolarHBondContact O-CA 3.47Å; I181-G192 PolarHBondContact N-O 3.12Å; I181-G192 PolarHBondContact O-N 3.26Å; I181-A200 HydrophobicContact CB-CB 4.16Å; I181-A200 HydrophobicContact CG1-CB 3.56Å; I181-K201 HydrophobicContact CG1-CB 4.39Å; I181-K201 HydrophobicContact CG2-CB 4.23Å; I181-A204 HydrophobicContact CB-CB 4.45Å; I181-A204 HydrophobicContact CG2-CB 4.31Å; I181-A204 VanDerWaalsContact O-CB 3.28Å; I181-A204 WeakPolarHBondContact O-CB 3.4Å
182S90.7Very high88.5Confident5 Ų555 Ų554%0.03531%0.312CS..EExtended strand (participates in β ladder)trans-92.8138.416869.30000110.7Y165 E166 K189 E190Y165-S182 WeakPolarHBondContact CA-O 3.43Å; E166-S182 PolarHBondContact N-O 2.96Å; E166-S182 PolarHBondContact O-N 3.25Å; S182-K189 WeakPolarHBondContact OG-CE 3.45Å; S182-E190 CarbonylContact C-O 3.59Å; S182-E190 VanDerWaalsContact CA-O 3.23Å; S182-E190 WeakPolarHBondContact CA-O 3.43Å
183V92.3Very high88.7Confident0 Ų054.9 Ų54.90%030%0.303CS..EExtended strand (participates in β ladder)trans-114.9138.8170.265.10000109.3L151 P163 V164 Y165 K189 E190 A204 L208L151-V183 HydrophobicContact CD2-CG2 3.81Å; P163-V183 HydrophobicContact CB-CG2 4.1Å; V164-V183 CarbonylContact O-C 3.48Å; V164-V183 VanDerWaalsContact O-CA 3.27Å; V164-V183 WeakPolarHBondContact O-CA 3.36Å; Y165-V183 HydrophobicContact CD1-CB 3.8Å; Y165-V183 HydrophobicContact CD1-CG2 3.78Å; Y165-V183 HydrophobicContact CE1-CB 3.69Å; Y165-V183 HydrophobicContact CE1-CG2 3.4Å; Y165-V183 HydrophobicContact CE2-CG2 4.16Å; Y165-V183 HydrophobicContact CG-CG2 4.34Å; V183-K189 CarbonylContact O-C 3.58Å; V183-K189 VanDerWaalsContact O-CA 3.3Å; V183-K189 WeakPolarHBondContact O-CA 3.22Å; V183-E190 HydrophobicContact CG1-CB 4.07Å; V183-E190 PolarHBondContact N-O 3.43Å; V183-E190 PolarHBondContact O-N 3.3Å; V183-A204 HydrophobicContact CB-CB 4.09Å; V183-A204 VanDerWaalsContact CG1-C 3.45Å; V183-A204 HydrophobicContact CG1-CB 3.83Å; V183-A204 VanDerWaalsContact CG1-O 3.23Å; V183-A204 WeakPolarHBondContact CG1-O 3.42Å; V183-L208 HydrophobicContact CG1-CB 3.75Å; V183-L208 HydrophobicContact CG1-CD1 4.46Å; V183-L208 HydrophobicContact CG1-CD2 3.97Å; V183-L208 HydrophobicContact CG1-CG 4.29Å; V183-L208 HydrophobicContact CG2-CD2 4.05Å
184Q86.5Confident89.2Confident80 Ų8052.1 Ų52.137%0.37429%0.287SS..EExtended strand (participates in β ladder)trans-130.9133.6176.9-177175.3-1.800110.9P163 V164 G186 L188 K189P163-Q184 CarbonylContact C-O 3.51Å; P163-Q184 WeakPolarHBondContact CA-O 3.49Å; V164-Q184 PolarHBondContact N-O 3.24Å; V164-Q184 PolarHBondContact O-N 3.3Å; Q184-G186 WeakPolarHBondContact CG-O 3.16Å; Q184-G186 PolarHBondContact NE2-O 3.36Å; Q184-L188 CarbonylContact C-O 3.59Å; Q184-L188 WeakPolarHBondContact CA-O 3.41Å; Q184-L188 WeakPolarHBondContact CG-O 3.42Å; Q184-K189 HydrophobicContact CB-CB 4.37Å; Q184-K189 HydrophobicContact CB-CG 4.37Å; Q184-K189 HydrophobicContact CG-CB 4.34Å
185V83.5Confident89.5Confident1 Ų155.8 Ų55.81%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-130.8112.4169.6177.50000107.3L151 W160 F161 P163 A187 L188 L208 L224L151-V185 HydrophobicContact CD1-CG2 4.47Å; W160-V185 HydrophobicContact CB-CG1 4.19Å; F161-V185 HydrophobicContact CB-CG1 4.48Å; F161-V185 WeakPolarHBondContact O-CG1 3.34Å; P163-V185 HydrophobicContact CB-CG2 3.61Å; V185-A187 PolarHBondContact O-N 2.94Å; V185-L188 PolarHBondContact N-O 3.4Å; V185-L188 PolarHBondContact O-N 3.28Å; V185-L208 HydrophobicContact CB-CD2 3.86Å; V185-L208 HydrophobicContact CG2-CD2 3.38Å; V185-L224 HydrophobicContact CB-CD2 3.92Å; V185-L224 HydrophobicContact CG1-CB 4.35Å; V185-L224 HydrophobicContact CG1-CD2 3.58Å; V185-L224 WeakPolarHBondContact O-CD2 3.18Å
186G75.6Confident89.8Confident22 Ų2251.9 Ų51.923%0.22727%0.268CS..THydrogen-bonded Turntrans58.2-123.2-172.700000111.2Q184 L223Q184-G186 WeakPolarHBondContact CG-O 3.16Å; Q184-G186 PolarHBondContact NE2-O 3.36Å; G186-L223 CarbonylContact C-O 3.49Å; G186-L223 WeakPolarHBondContact CA-O 3.12Å
187A76.2Confident89.8Confident67 Ų6752 Ų5255%0.55426%0.264SS*.THydrogen-bonded Turntrans-84-17177.200000113.7V185 L223V185-A187 PolarHBondContact O-N 2.94Å; A187-L223 HydrophobicContact CB-CB 4.38Å; A187-L223 HydrophobicContact CB-CD2 3.83Å; A187-L223 PolarHBondContact N-O 3.27Å
188L82.3Confident90Very high23 Ų2356.6 Ų56.612%0.1228%0.282CS..EExtended strand (participates in β ladder)trans-81.7130.1-179.6-61.7-170.7000111.1Q184 V185 L208 T211 V212 L215 L223 L224Q184-L188 CarbonylContact C-O 3.59Å; Q184-L188 WeakPolarHBondContact CA-O 3.41Å; Q184-L188 WeakPolarHBondContact CG-O 3.42Å; V185-L188 PolarHBondContact N-O 3.4Å; V185-L188 PolarHBondContact O-N 3.28Å; L188-L208 HydrophobicContact CB-CD1 3.75Å; L188-T211 HydrophobicContact CD1-CG2 4.24Å; L188-V212 HydrophobicContact CD1-CG2 3.89Å; L188-L215 HydrophobicContact CD1-CD1 3.42Å; L188-L215 VanDerWaalsContact CD1-CD1 3.42Å; L188-L215 HydrophobicContact CD2-CD1 4.24Å; L188-L215 HydrophobicContact CG-CD1 4.36Å; L188-L223 HydrophobicContact CD2-CB 4.19Å; L188-L223 HydrophobicContact CD2-CD1 3.84Å; L188-L223 HydrophobicContact CG-CB 4.16Å; L188-L224 HydrophobicContact CB-CD2 4.21Å; L188-L224 HydrophobicContact CD1-CD1 4.48Å; L188-L224 HydrophobicContact CD1-CD2 3.59Å; L188-L224 HydrophobicContact CD1-CG 4.18Å; L188-L224 HydrophobicContact CG-CD2 3.9Å
189K88Confident89.8Confident105 Ų10556.6 Ų56.646%0.45728%0.28SS..EExtended strand (participates in β ladder)trans-132.7131.6176.6-176.3172.6-177.5166.90110.1S182 V183 Q184S182-K189 WeakPolarHBondContact OG-CE 3.45Å; V183-K189 CarbonylContact O-C 3.58Å; V183-K189 VanDerWaalsContact O-CA 3.3Å; V183-K189 WeakPolarHBondContact O-CA 3.22Å; Q184-K189 HydrophobicContact CB-CB 4.37Å; Q184-K189 HydrophobicContact CB-CG 4.37Å; Q184-K189 HydrophobicContact CG-CB 4.34Å
190E94.2Very high89.9Confident61 Ų6154.7 Ų54.729%0.28527%0.271SS..EExtended strand (participates in β ladder)trans-133.2154.5179.3-80.4-61.8159.700111.6S182 V183 K207 L208 T211S182-E190 CarbonylContact C-O 3.59Å; S182-E190 VanDerWaalsContact CA-O 3.23Å; S182-E190 WeakPolarHBondContact CA-O 3.43Å; V183-E190 HydrophobicContact CG1-CB 4.07Å; V183-E190 PolarHBondContact N-O 3.43Å; V183-E190 PolarHBondContact O-N 3.3Å; E190-K207 HydrophobicContact CB-CB 4.15Å; E190-K207 HydrophobicContact CG-CB 4.24Å; E190-L208 HydrophobicContact CB-CB 4.11Å; E190-L208 HydrophobicContact CB-CD1 3.88Å; E190-L208 HydrophobicContact CG-CB 4.19Å; E190-L208 HydrophobicContact CG-CD1 3.65Å; E190-T211 PolarHBondContact OE1-OG1 2.92Å
191I93.1Very high89.8Confident77 Ų7755.3 Ų55.340%0.39528%0.276SS..EExtended strand (participates in β ladder)trans-122.7122.8-179-53.9-178000111A168 Y180 I181 K207A168-I191 HydrophobicContact CB-CG2 4.36Å; Y180-I191 HydrophobicContact CD1-CG2 4.27Å; I181-I191 WeakPolarHBondContact O-CA 3.47Å; I191-K207 VanDerWaalsContact O-CD 3.27Å; I191-K207 WeakPolarHBondContact O-CD 3.47Å; I191-K207 WeakPolarHBondContact O-CE 3.45Å; I191-K207 PolarHBondContact O-NZ 3.39Å
192G94.2Very high89.8Confident0 Ų056 Ų560%028%0.279CS..EExtended strand (participates in β ladder)trans-105.1141.5173.100000112.3Y180 I181Y180-G192 WeakPolarHBondContact CA-O 3.49Å; I181-G192 PolarHBondContact N-O 3.12Å; I181-G192 PolarHBondContact O-N 3.26Å
193S94.7Very high90.1Very high50 Ų5056.9 Ų56.935%0.3528%0.283SS..EExtended strand (participates in β ladder)trans-109.5157.1173.663.80000111.6F179 N203F179-S193 CarbonylContact O-C 3.32Å; F179-S193 WeakPolarHBondContact O-CA 3.49Å; S193-N203 PolarHBondContact O-ND2 2.99Å
194G94.1Very high90.2Very high9 Ų956.9 Ų56.99%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-174.1163174.800000113.8F179 N196F179-G194 PolarHBondContact N-O 3.18Å; F179-G194 PolarHBondContact O-N 3.41Å; G194-N196 PolarHBondContact O-N 3.18Å; G194-N196 VanDerWaalsContact O-N 3.08Å
195R91.1Very high90.6Very high189 Ų18953.1 Ų53.171%0.71327%0.265SS*.SBendtrans-62.9-13.4178-66.9-174.4-76.4176.1-5.2114.4F179F179-R195 WeakPolarHBondContact CE2-O 3.3Å
196N92.3Very high91.2Very high79 Ų7957.7 Ų57.742%0.42228%0.282SS..SBendtrans-150.9163172.359.853.1000109.2F179 G194 K198 L199 A200F179-N196 VanDerWaalsContact CD2-CA 3.43Å; G194-N196 PolarHBondContact O-N 3.18Å; G194-N196 VanDerWaalsContact O-N 3.08Å; N196-K198 PolarHBondContact O-N 2.93Å; N196-K198 WeakPolarHBondContact OD1-CB 3.28Å; N196-K198 PolarHBondContact OD1-N 3.5Å; N196-L199 PolarHBondContact O-N 2.91Å; N196-L199 WeakPolarHBondContact OD1-CB 3.19Å; N196-L199 PolarHBondContact OD1-N 3.23Å; N196-A200 WeakPolarHBondContact O-CB 3.32Å; N196-A200 PolarHBondContact O-N 3.03Å
197K90Very high92.1Very high98 Ų9860.9 Ų60.943%0.42629%0.29SS..Hα-helixtrans-56.3-34.7179.6-64.3-168176.1-164.20113.4D167 F179 K201D167-K197 IonicContact OD1-NZ 2.99Å; D167-K197 IonicContact OD2-NZ 3.59Å; D167-K197 PolarHBondContact OD2-NZ 2.79Å; F179-K197 HydrophobicContact CB-CG 4.32Å; F179-K197 HydrophobicContact CD1-CD 4.46Å; F179-K197 HydrophobicContact CD1-CG 3.55Å; F179-K197 HydrophobicContact CE1-CG 4.14Å; F179-K197 HydrophobicContact CG-CG 4.08Å; K197-K201 VanDerWaalsContact O-CB 3.29Å; K197-K201 WeakPolarHBondContact O-CB 3.27Å; K197-K201 PolarHBondContact O-N 2.87Å
198K92Very high92.9Very high161 Ų16157.7 Ų57.770%0.726%0.264SS*.Hα-helixtrans-65.7-46.6-179.4-173.4179.1-179.4-1790111.2N196 K201 Q202N196-K198 PolarHBondContact O-N 2.93Å; N196-K198 WeakPolarHBondContact OD1-CB 3.28Å; N196-K198 PolarHBondContact OD1-N 3.5Å; K198-K201 PolarHBondContact O-N 2.97Å; K198-Q202 WeakPolarHBondContact O-CG 3.39Å; K198-Q202 PolarHBondContact O-N 3.02Å; K198-Q202 VanDerWaalsContact O-N 3.14Å
199L91.8Very high93.3Very high43 Ų4357.5 Ų57.523%0.22526%0.263CS..Hα-helixtrans-68.9-42.4177.9-177.660.9000111.1N196 K201 Q202 N203N196-L199 PolarHBondContact O-N 2.91Å; N196-L199 WeakPolarHBondContact OD1-CB 3.19Å; N196-L199 PolarHBondContact OD1-N 3.23Å; L199-K201 VanDerWaalsContact C-N 3.29Å; L199-K201 PolarHBondContact O-N 2.85Å; L199-Q202 PolarHBondContact O-N 2.89Å; L199-Q202 VanDerWaalsContact O-N 3.15Å; L199-N203 WeakPolarHBondContact O-CB 3.28Å; L199-N203 PolarHBondContact O-N 3.37Å
200A94.3Very high93.4Very high0 Ų056.9 Ų56.90%026%0.262CS..Hα-helixtrans-57.1-43.7175.200000111.6F179 I181 N196 Q202 N203 A204F179-A200 HydrophobicContact CB-CB 4.19Å; F179-A200 VanDerWaalsContact O-CB 3.24Å; F179-A200 WeakPolarHBondContact O-CB 3.47Å; I181-A200 HydrophobicContact CB-CB 4.16Å; I181-A200 HydrophobicContact CG1-CB 3.56Å; N196-A200 WeakPolarHBondContact O-CB 3.32Å; N196-A200 PolarHBondContact O-N 3.03Å; A200-Q202 PolarHBondContact O-N 2.93Å; A200-N203 PolarHBondContact O-N 3.32Å; A200-A204 WeakPolarHBondContact O-CB 3.34Å; A200-A204 PolarHBondContact O-N 3.16Å
201K94.4Very high93.2Very high85 Ų8555.6 Ų55.637%0.3726%0.258SS..Hα-helixtrans-60.3-44.4174.3-177.9174.5-176.5171.80113A148 Y165 I181 K197 K198 L199 A204 A205A148-K201 HydrophobicContact CB-CG 4.43Å; Y165-K201 HydrophobicContact CD1-CD 4.17Å; Y165-K201 HydrophobicContact CD1-CG 3.64Å; Y165-K201 HydrophobicContact CE1-CD 4.3Å; Y165-K201 HydrophobicContact CE1-CG 3.6Å; Y165-K201 HydrophobicContact CG-CD 4.41Å; Y165-K201 HydrophobicContact CG-CG 4.36Å; I181-K201 HydrophobicContact CG1-CB 4.39Å; I181-K201 HydrophobicContact CG2-CB 4.23Å; K197-K201 VanDerWaalsContact O-CB 3.29Å; K197-K201 WeakPolarHBondContact O-CB 3.27Å; K197-K201 PolarHBondContact O-N 2.87Å; K198-K201 PolarHBondContact O-N 2.97Å; L199-K201 VanDerWaalsContact C-N 3.29Å; L199-K201 PolarHBondContact O-N 2.85Å; K201-A204 PolarHBondContact O-N 2.8Å; K201-A205 PolarHBondContact O-N 3.47Å; K201-A205 VanDerWaalsContact O-N 3.09Å
202Q95.6Very high92.8Very high22 Ų2252.2 Ų52.210%0.10324%0.241CC..Hα-helixtrans-65.3-41.1177.5-66.2-64.4-24.300111.6S144 N145 K146 A147 K198 L199 A200 A204 A205 R206S144-Q202 VanDerWaalsContact O-CB 3.25Å; S144-Q202 WeakPolarHBondContact O-CB 3.45Å; N145-Q202 PolarHBondContact O-NE2 2.86Å; K146-Q202 VanDerWaalsContact C-OE1 3.32Å; A147-Q202 WeakPolarHBondContact CB-O 3.23Å; K198-Q202 WeakPolarHBondContact O-CG 3.39Å; K198-Q202 PolarHBondContact O-N 3.02Å; K198-Q202 VanDerWaalsContact O-N 3.14Å; L199-Q202 PolarHBondContact O-N 2.89Å; L199-Q202 VanDerWaalsContact O-N 3.15Å; A200-Q202 PolarHBondContact O-N 2.93Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A205 PolarHBondContact O-N 2.91Å; Q202-R206 PolarHBondContact O-N 3.2Å
203N95.1Very high92.4Very high23 Ų2358.6 Ų58.612%0.12327%0.271CS..Hα-helixtrans-65.9-37.6177.1-74.5-21.7000112.1S193 L199 A200 R206 K207S193-N203 PolarHBondContact O-ND2 2.99Å; L199-N203 WeakPolarHBondContact O-CB 3.28Å; L199-N203 PolarHBondContact O-N 3.37Å; A200-N203 PolarHBondContact O-N 3.32Å; N203-R206 PolarHBondContact O-N 2.87Å; N203-R206 PolarHBondContact OD1-NH2 2.88Å; N203-K207 PolarHBondContact O-N 2.94Å; N203-K207 VanDerWaalsContact O-N 3.09Å
204A95.8Very high92Very high0 Ų064.3 Ų64.30%029%0.291CS..Hα-helixtrans-62.4-49.117600000110.3I181 V183 A200 K201 Q202 R206 K207 L208I181-A204 HydrophobicContact CB-CB 4.45Å; I181-A204 HydrophobicContact CG2-CB 4.31Å; I181-A204 VanDerWaalsContact O-CB 3.28Å; I181-A204 WeakPolarHBondContact O-CB 3.4Å; V183-A204 HydrophobicContact CB-CB 4.09Å; V183-A204 VanDerWaalsContact CG1-C 3.45Å; V183-A204 HydrophobicContact CG1-CB 3.83Å; V183-A204 VanDerWaalsContact CG1-O 3.23Å; V183-A204 WeakPolarHBondContact CG1-O 3.42Å; A200-A204 WeakPolarHBondContact O-CB 3.34Å; A200-A204 PolarHBondContact O-N 3.16Å; K201-A204 PolarHBondContact O-N 2.8Å; Q202-A204 VanDerWaalsContact C-N 3.34Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-R206 PolarHBondContact O-N 3.27Å; A204-K207 PolarHBondContact O-N 2.94Å; A204-L208 PolarHBondContact O-N 3.38Å; A204-L208 VanDerWaalsContact O-N 3.11Å
205A95Very high91.4Very high0 Ų065.8 Ų65.80%030%0.297CS..Hα-helixtrans-62-37.6178.500000113.2A147 A148 L151 Y165 K201 Q202 L209A147-A205 HydrophobicContact CB-CB 4.27Å; A148-A205 VanDerWaalsContact CA-CB 3.48Å; A148-A205 HydrophobicContact CB-CB 3.96Å; L151-A205 HydrophobicContact CB-CB 4.21Å; L151-A205 HydrophobicContact CD2-CB 3.84Å; Y165-A205 HydrophobicContact CE1-CB 4.32Å; K201-A205 PolarHBondContact O-N 3.47Å; K201-A205 VanDerWaalsContact O-N 3.09Å; Q202-A205 PolarHBondContact O-N 2.91Å; A205-L209 WeakPolarHBondContact O-CG 3.23Å; A205-L209 PolarHBondContact O-N 2.85Å
206R95Very high90.7Very high98 Ų9859.1 Ų59.137%0.3728%0.279SS..Hα-helixtrans-63.7-48.6176.4172.5171.751.8145.8-2.6111.8A147 Q202 N203 A204 L208 L209 E210A147-R206 HydrophobicContact CB-CB 3.94Å; Q202-R206 PolarHBondContact O-N 3.2Å; N203-R206 PolarHBondContact O-N 2.87Å; N203-R206 PolarHBondContact OD1-NH2 2.88Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-R206 PolarHBondContact O-N 3.27Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.32Å; R206-L209 WeakPolarHBondContact O-CB 3.49Å; R206-L209 PolarHBondContact O-N 2.85Å; R206-L209 VanDerWaalsContact O-N 3.1Å; R206-E210 WeakPolarHBondContact CG-OE1 3.27Å; R206-E210 WeakPolarHBondContact O-CG 3.45Å; R206-E210 PolarHBondContact O-N 2.79Å
207K94.6Very high89.7Confident88 Ų8863.6 Ų63.638%0.38329%0.292SS..Hα-helixtrans-56.6-46.8177.2-74.6-177.4175.6-171.50111.2E190 I191 N203 A204 L209 E210 T211E190-K207 HydrophobicContact CB-CB 4.15Å; E190-K207 HydrophobicContact CG-CB 4.24Å; I191-K207 VanDerWaalsContact O-CD 3.27Å; I191-K207 WeakPolarHBondContact O-CD 3.47Å; I191-K207 WeakPolarHBondContact O-CE 3.45Å; I191-K207 PolarHBondContact O-NZ 3.39Å; N203-K207 PolarHBondContact O-N 2.94Å; N203-K207 VanDerWaalsContact O-N 3.09Å; A204-K207 PolarHBondContact O-N 2.94Å; K207-L209 VanDerWaalsContact C-N 3.3Å; K207-L209 PolarHBondContact O-N 2.82Å; K207-E210 WeakPolarHBondContact O-CB 3.33Å; K207-E210 PolarHBondContact O-N 3.11Å; K207-E210 VanDerWaalsContact O-N 3.16Å; K207-T211 PolarHBondContact O-N 3.32Å; K207-T211 PolarHBondContact O-OG1 3.03Å
208L92.4Very high88.8Confident0 Ų066.1 Ų66.10%031%0.305CS..Hα-helixtrans-62.1-38177.8-16277.4000112.4L151 V183 V185 L188 E190 A204 R206 E210 T211 V212L151-L208 HydrophobicContact CD1-CD2 4.05Å; L151-L208 HydrophobicContact CD2-CB 4.34Å; L151-L208 HydrophobicContact CD2-CD2 3.71Å; L151-L208 HydrophobicContact CG-CD2 4.5Å; V183-L208 HydrophobicContact CG1-CB 3.75Å; V183-L208 HydrophobicContact CG1-CD1 4.46Å; V183-L208 HydrophobicContact CG1-CD2 3.97Å; V183-L208 HydrophobicContact CG1-CG 4.29Å; V183-L208 HydrophobicContact CG2-CD2 4.05Å; V185-L208 HydrophobicContact CB-CD2 3.86Å; V185-L208 HydrophobicContact CG2-CD2 3.38Å; L188-L208 HydrophobicContact CB-CD1 3.75Å; E190-L208 HydrophobicContact CB-CB 4.11Å; E190-L208 HydrophobicContact CB-CD1 3.88Å; E190-L208 HydrophobicContact CG-CB 4.19Å; E190-L208 HydrophobicContact CG-CD1 3.65Å; A204-L208 PolarHBondContact O-N 3.38Å; A204-L208 VanDerWaalsContact O-N 3.11Å; R206-L208 VanDerWaalsContact C-N 3.29Å; R206-L208 PolarHBondContact O-N 3.32Å; L208-E210 VanDerWaalsContact C-N 3.35Å; L208-T211 PolarHBondContact O-N 2.98Å; L208-V212 WeakPolarHBondContact O-CB 3.42Å; L208-V212 WeakPolarHBondContact O-CG2 3.27Å; L208-V212 PolarHBondContact O-N 2.94Å
209L90.8Very high87.9Confident20 Ų2062.5 Ų62.511%0.10529%0.291CS..Hα-helixtrans-63.7-40.3175.4-81.8171.4000112.4L150 L151 K154 A205 R206 K207 V212 E213L150-L209 HydrophobicContact CB-CD1 4.19Å; L151-L209 HydrophobicContact CB-CD1 4.06Å; L151-L209 HydrophobicContact CB-CD2 4.19Å; L151-L209 HydrophobicContact CB-CG 3.96Å; L151-L209 HydrophobicContact CD1-CD2 3.72Å; L151-L209 HydrophobicContact CD1-CG 3.88Å; L151-L209 HydrophobicContact CG-CG 4.46Å; K154-L209 HydrophobicContact CB-CD2 4.35Å; K154-L209 HydrophobicContact CD-CD2 3.51Å; A205-L209 WeakPolarHBondContact O-CG 3.23Å; A205-L209 PolarHBondContact O-N 2.85Å; R206-L209 WeakPolarHBondContact O-CB 3.49Å; R206-L209 PolarHBondContact O-N 2.85Å; R206-L209 VanDerWaalsContact O-N 3.1Å; K207-L209 VanDerWaalsContact C-N 3.3Å; K207-L209 PolarHBondContact O-N 2.82Å; L209-V212 PolarHBondContact O-N 3.16Å; L209-E213 WeakPolarHBondContact O-CG 3.42Å; L209-E213 PolarHBondContact O-N 3.1Å
210E91.7Very high87.1Confident92 Ų9261 Ų6143%0.4328%0.283SS..Hα-helixtrans-63.7-48.1175.3-69.4163.5-174.500110R206 K207 L208 V212 E213 E214R206-E210 WeakPolarHBondContact CG-OE1 3.27Å; R206-E210 WeakPolarHBondContact O-CG 3.45Å; R206-E210 PolarHBondContact O-N 2.79Å; K207-E210 WeakPolarHBondContact O-CB 3.33Å; K207-E210 PolarHBondContact O-N 3.11Å; K207-E210 VanDerWaalsContact O-N 3.16Å; L208-E210 VanDerWaalsContact C-N 3.35Å; E210-V212 VanDerWaalsContact C-N 3.27Å; E210-V212 PolarHBondContact O-N 3.35Å; E210-E213 PolarHBondContact O-N 2.98Å; E210-E214 PolarHBondContact O-N 3.1Å; E210-E214 VanDerWaalsContact O-N 3.12Å
211T88.4Confident85.8Confident33 Ų3366 Ų6620%0.20231%0.307CS..Hα-helixtrans-54.9-44173.9-45.50000111.4L188 E190 K207 L208 E213 E214 L215L188-T211 HydrophobicContact CD1-CG2 4.24Å; E190-T211 PolarHBondContact OE1-OG1 2.92Å; K207-T211 PolarHBondContact O-N 3.32Å; K207-T211 PolarHBondContact O-OG1 3.03Å; L208-T211 PolarHBondContact O-N 2.98Å; T211-E213 VanDerWaalsContact C-N 3.29Å; T211-E213 PolarHBondContact O-N 3.06Å; T211-E214 PolarHBondContact O-N 3.36Å; T211-L215 WeakPolarHBondContact O-CG 3.45Å; T211-L215 PolarHBondContact O-N 2.93Å
212V85.9Confident84.5Confident6 Ų669.5 Ų69.54%0.03633%0.325CS..Hα-helixtrans-67.7-27.5178.8169.80000112.7W160 L188 L208 L209 E210 L224W160-V212 HydrophobicContact CH2-CG1 3.41Å; W160-V212 VanDerWaalsContact CH2-CG1 3.41Å; W160-V212 HydrophobicContact CZ2-CG1 4.47Å; W160-V212 HydrophobicContact CZ3-CG1 3.55Å; L188-V212 HydrophobicContact CD1-CG2 3.89Å; L208-V212 WeakPolarHBondContact O-CB 3.42Å; L208-V212 WeakPolarHBondContact O-CG2 3.27Å; L208-V212 PolarHBondContact O-N 2.94Å; L209-V212 PolarHBondContact O-N 3.16Å; E210-V212 VanDerWaalsContact C-N 3.27Å; E210-V212 PolarHBondContact O-N 3.35Å; V212-L224 HydrophobicContact CB-CD1 4.43Å; V212-L224 HydrophobicContact CG1-CD1 3.89Å; V212-L224 HydrophobicContact CG2-CD1 3.76Å; V212-L224 HydrophobicContact CG2-CD2 4.05Å
213E86.2Confident83.4Confident135 Ų13570.9 Ų70.963%0.63133%0.332SS*.Hα-helixtrans-79.6-21.3176.8-75.3173.7-174.100113K154 L209 E210 T211K154-E213 IonicContact NZ-OE1 2.78Å; K154-E213 PolarHBondContact NZ-OE1 3.26Å; L209-E213 WeakPolarHBondContact O-CG 3.42Å; L209-E213 PolarHBondContact O-N 3.1Å; E210-E213 PolarHBondContact O-N 2.98Å; T211-E213 VanDerWaalsContact C-N 3.29Å; T211-E213 PolarHBondContact O-N 3.06Å
214E86.7Confident82.2Confident169 Ų16969.8 Ų69.879%0.7933%0.327SS*.Hα-helixtrans-84.7-21.3175.4-68.4178176.500113.2E210 T211E210-E214 PolarHBondContact O-N 3.1Å; E210-E214 VanDerWaalsContact O-N 3.12Å; T211-E214 PolarHBondContact O-N 3.36Å
215L80.3Confident80.4Confident41 Ų4171.2 Ų71.222%0.21534%0.338CS..SBendtrans-76.6145.9179.6-69.7172.6000112.8L188 T211 E219 L223L188-L215 HydrophobicContact CD1-CD1 3.42Å; L188-L215 VanDerWaalsContact CD1-CD1 3.42Å; L188-L215 HydrophobicContact CD2-CD1 4.24Å; L188-L215 HydrophobicContact CG-CD1 4.36Å; T211-L215 WeakPolarHBondContact O-CG 3.45Å; T211-L215 PolarHBondContact O-N 2.93Å; L215-E219 HydrophobicContact CB-CB 4.24Å; L215-E219 HydrophobicContact CD2-CB 4.05Å; L215-L223 HydrophobicContact CD1-CD1 4.18Å; L215-L223 HydrophobicContact CD2-CD1 4.41Å
216S76.6Confident78Confident48 Ų4878.2 Ų78.234%0.33637%0.366SS..  trans-66.7163.2169.968.90000111.7E218 E219 C220S216-E218 PolarHBondContact O-N 3.01Å; S216-E219 VanDerWaalsContact CB-OE2 3.26Å; S216-E219 WeakPolarHBondContact CB-OE2 3.24Å; S216-E219 PolarHBondContact N-OE2 3.29Å; S216-E219 PolarHBondContact O-N 2.84Å; S216-E219 VanDerWaalsContact OG-CD 3.29Å; S216-E219 VanDerWaalsContact OG-CG 3.27Å; S216-E219 WeakPolarHBondContact OG-CG 3.3Å; S216-E219 PolarHBondContact OG-N 2.71Å; S216-E219 PolarHBondContact OG-OE2 3.24Å; S216-C220 WeakPolarHBondContact O-CB 3.27Å; S216-C220 PolarHBondContact O-N 2.97Å; S216-C220 PolarHBondContact O-SG 3.38Å
217Y71.5Confident75.1Confident173 Ų17377.1 Ų77.168%0.67837%0.372SS*.Hα-helixtrans-59-37.1177.8179.6-100.1000112.6Q221Y217-Q221 HydrophobicContact CE1-CG 4.32Å; Y217-Q221 PolarHBondContact O-N 2.99Å; Y217-Q221 VanDerWaalsContact O-N 3.11Å; Y217-Q221 PolarHBondContact OH-NE2 3.47Å
218E71.7Confident72.2Confident152 Ų15282 Ų8271%0.7139%0.393SS*.Hα-helixtrans-69.1-47.1179.8-71.6148.5-169.100111.1S216 C220 Q221 E222S216-E218 PolarHBondContact O-N 3.01Å; E218-C220 VanDerWaalsContact C-N 3.32Å; E218-C220 PolarHBondContact O-N 3.04Å; E218-Q221 WeakPolarHBondContact O-CB 3.33Å; E218-Q221 PolarHBondContact O-N 2.8Å; E218-E222 PolarHBondContact O-N 3.15Å
219E73Confident69.2Low85 Ų8589.9 Ų89.940%0.39743%0.43SS..Hα-helixtrans-64.1-36.9175.6-68.4164.9129.700111.9L215 S216 Q221 E222 L223L215-E219 HydrophobicContact CB-CB 4.24Å; L215-E219 HydrophobicContact CD2-CB 4.05Å; S216-E219 VanDerWaalsContact CB-OE2 3.26Å; S216-E219 WeakPolarHBondContact CB-OE2 3.24Å; S216-E219 PolarHBondContact N-OE2 3.29Å; S216-E219 PolarHBondContact O-N 2.84Å; S216-E219 VanDerWaalsContact OG-CD 3.29Å; S216-E219 VanDerWaalsContact OG-CG 3.27Å; S216-E219 WeakPolarHBondContact OG-CG 3.3Å; S216-E219 PolarHBondContact OG-N 2.71Å; S216-E219 PolarHBondContact OG-OE2 3.24Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 3.08Å; E219-E222 PolarHBondContact O-N 3.01Å; E219-L223 HydrophobicContact CB-CD1 4.42Å; E219-L223 VanDerWaalsContact O-CB 3.28Å; E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.31Å; E219-L223 PolarHBondContact O-N 3.4Å
220C73.6Confident66.1Low11 Ų1195.5 Ų95.57%0.07446%0.46CS..Hα-helixtrans-61.3-38.1172.7-74.70000111.7W160 S216 E218 L224W160-C220 HydrophobicContact CZ2-CB 4.03Å; S216-C220 WeakPolarHBondContact O-CB 3.27Å; S216-C220 PolarHBondContact O-N 2.97Å; S216-C220 PolarHBondContact O-SG 3.38Å; E218-C220 VanDerWaalsContact C-N 3.32Å; E218-C220 PolarHBondContact O-N 3.04Å; C220-L224 HydrophobicContact CB-CD1 4Å; C220-L224 WeakPolarHBondContact O-CB 3.33Å; C220-L224 PolarHBondContact O-N 2.71Å; C220-L224 VanDerWaalsContact O-N 3.11Å
221Q68Low63.1Low104 Ų10498.3 Ų98.349%0.48648%0.475SS..Hα-helixtrans-69.6-41.6176.4-75.1-153.31100112Y217 E218 E219 A225Y217-Q221 HydrophobicContact CE1-CG 4.32Å; Y217-Q221 PolarHBondContact O-N 2.99Å; Y217-Q221 VanDerWaalsContact O-N 3.11Å; Y217-Q221 PolarHBondContact OH-NE2 3.47Å; E218-Q221 WeakPolarHBondContact O-CB 3.33Å; E218-Q221 PolarHBondContact O-N 2.8Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 3.08Å; Q221-A225 WeakPolarHBondContact O-CB 3.38Å; Q221-A225 PolarHBondContact O-N 3.36Å
222E67.8Low60.2Low160 Ų160100.9 Ų100.975%0.74850%0.495SS*.Hα-helixtrans-69.7-46.1-179.6-171.7174.1-170.500112.2E218 E219E218-E222 PolarHBondContact O-N 3.15Å; E219-E222 PolarHBondContact O-N 3.01Å
223L72.1Confident57.6Low51 Ų51106.9 Ų106.927%0.26753%0.525SS..Hα-helixtrans-87.5-24.9-170.6-60.9173.3000113.8G186 A187 L188 L215 E219G186-L223 CarbonylContact C-O 3.49Å; G186-L223 WeakPolarHBondContact CA-O 3.12Å; A187-L223 HydrophobicContact CB-CB 4.38Å; A187-L223 HydrophobicContact CB-CD2 3.83Å; A187-L223 PolarHBondContact N-O 3.27Å; L188-L223 HydrophobicContact CD2-CB 4.19Å; L188-L223 HydrophobicContact CD2-CD1 3.84Å; L188-L223 HydrophobicContact CG-CB 4.16Å; L215-L223 HydrophobicContact CD1-CD1 4.18Å; L215-L223 HydrophobicContact CD2-CD1 4.41Å; E219-L223 HydrophobicContact CB-CD1 4.42Å; E219-L223 VanDerWaalsContact O-CB 3.28Å; E219-L223 WeakPolarHBondContact O-CB 3.48Å; E219-L223 WeakPolarHBondContact O-CG 3.31Å; E219-L223 PolarHBondContact O-N 3.4Å
224L69.5Low54.8Low0 Ų0105.8 Ų105.80%053%0.528CS..Hα-helixtrans-114.3-20.6-172.9-54.2162.9000113.9W160 F161 V185 L188 V212 C220W160-L224 CarbonylContact C-O 3.57Å; W160-L224 WeakPolarHBondContact CA-O 3.24Å; W160-L224 HydrophobicContact CB-CB 4.03Å; W160-L224 WeakPolarHBondContact CB-O 3.37Å; W160-L224 HydrophobicContact CD2-CB 3.65Å; W160-L224 HydrophobicContact CD2-CD1 3.85Å; W160-L224 HydrophobicContact CD2-CG 4.33Å; W160-L224 HydrophobicContact CE3-CB 4.31Å; W160-L224 HydrophobicContact CE3-CD1 3.92Å; W160-L224 HydrophobicContact CG-CB 3.5Å; W160-L224 HydrophobicContact CH2-CD1 3.78Å; W160-L224 HydrophobicContact CZ2-CD1 3.69Å; W160-L224 HydrophobicContact CZ3-CD1 3.9Å; F161-L224 PolarHBondContact N-O 2.56Å; V185-L224 HydrophobicContact CB-CD2 3.92Å; V185-L224 HydrophobicContact CG1-CB 4.35Å; V185-L224 HydrophobicContact CG1-CD2 3.58Å; V185-L224 WeakPolarHBondContact O-CD2 3.18Å; L188-L224 HydrophobicContact CB-CD2 4.21Å; L188-L224 HydrophobicContact CD1-CD1 4.48Å; L188-L224 HydrophobicContact CD1-CD2 3.59Å; L188-L224 HydrophobicContact CD1-CG 4.18Å; L188-L224 HydrophobicContact CG-CD2 3.9Å; V212-L224 HydrophobicContact CB-CD1 4.43Å; V212-L224 HydrophobicContact CG1-CD1 3.89Å; V212-L224 HydrophobicContact CG2-CD1 3.76Å; V212-L224 HydrophobicContact CG2-CD2 4.05Å; C220-L224 HydrophobicContact CB-CD1 4Å; C220-L224 WeakPolarHBondContact O-CB 3.33Å; C220-L224 PolarHBondContact O-N 2.71Å; C220-L224 VanDerWaalsContact O-N 3.11Å
225A57Low52Low29 Ų29104 Ų10424%0.2452%0.522CS..BIsolated β-bridgetrans-84.1154.9-172.200000114F161 Q221 C227F161-A225 WeakPolarHBondContact CD2-O 3.23Å; F161-A225 WeakPolarHBondContact CE2-O 3.33Å; Q221-A225 WeakPolarHBondContact O-CB 3.38Å; Q221-A225 PolarHBondContact O-N 3.36Å; A225-C227 PolarHBondContact O-N 2.92Å
226Y46.5Very low49.5Very low148 Ų148110.1 Ų110.158%0.5855%0.55SS*.  trans-57.296.2169-172.4-94.3000110.2F161 K228F161-Y226 HydrophobicContact CE1-CD2 4.2Å; F161-Y226 HydrophobicContact CZ-CD2 4.49Å; Y226-K228 HydrophobicContact CD1-CG 4.11Å; Y226-K228 HydrophobicContact CE1-CG 4.01Å; Y226-K228 PolarHBondContact O-N 3.39Å; Y226-K228 VanDerWaalsContact O-N 3.11Å
227C32.6Very low47.4Very low75 Ų75115.8 Ų115.851%0.50757%0.571SS.*  trans-69.7108173.1-139.70000107.9A225 Q229A225-C227 PolarHBondContact O-N 2.92Å; C227-Q229 PolarHBondContact O-N 2.82Å
228K33.8Very low45.6Very low189 Ų189112 Ų11282%0.82257%0.567SS**THydrogen-bonded Turntrans-63.410.1179-106.3-175.3177-173.40114.1Y226Y226-K228 HydrophobicContact CD1-CG 4.11Å; Y226-K228 HydrophobicContact CE1-CG 4.01Å; Y226-K228 PolarHBondContact O-N 3.39Å; Y226-K228 VanDerWaalsContact O-N 3.11Å
229Q29.4Very low43.9Very low167 Ų167110.9 Ų110.978%0.7856%0.56SS**THydrogen-bonded Turntrans-116.3-9.5-166.3-89.9162-39.900115.9C227C227-Q229 PolarHBondContact O-N 2.82Å
230D26.3Very low42.4Very low138 Ų138112.2 Ų112.274%0.73858%0.576SS**  trans-112.459.4-179.8-78.6-40.6000113.5S232D230-S232 VanDerWaalsContact C-N 3.31Å
231M29.4Very low41.1Very low151 Ų151118.6 Ų118.674%0.74461%0.605SS**  trans-101.447.9157.2-149.9-175.9-51.400109.7I233M231-I233 HydrophobicContact CG-CD1 4.48Å; M231-I233 HydrophobicContact CG-CG1 4.34Å; M231-I233 PolarHBondContact O-N 2.88Å; M231-I233 VanDerWaalsContact O-N 3.09Å
232S27.1Very low39.7Very low87 Ų87116.3 Ų116.361%0.60860%0.595SS**  trans-7980.816351.50000107.8D230 T234D230-S232 VanDerWaalsContact C-N 3.31Å; S232-T234 VanDerWaalsContact C-N 3.31Å; S232-T234 PolarHBondContact O-N 3.08Å
233I30.8Very low38.2Very low132 Ų132114.1 Ų114.168%0.67759%0.588SS**  trans-62.3101.6165.1-65.2173.4000106M231 I235M231-I233 HydrophobicContact CG-CD1 4.48Å; M231-I233 HydrophobicContact CG-CG1 4.34Å; M231-I233 PolarHBondContact O-N 2.88Å; M231-I233 VanDerWaalsContact O-N 3.09Å; I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 HydrophobicContact CG2-CG1 3.96Å; I233-I235 PolarHBondContact O-N 2.82Å
234T27Very low37.1Very low111 Ų111118.5 Ų118.568%0.68161%0.608SS**  trans-68.895.9165.9-61.50000106.4S232 Q236S232-T234 VanDerWaalsContact C-N 3.31Å; S232-T234 PolarHBondContact O-N 3.08Å; T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 HydrophobicContact CG2-CG 4.07Å; T234-Q236 PolarHBondContact O-N 2.76Å
235I28.8Very low35.9Very low131 Ų131121.7 Ų121.767%0.67262%0.624SS**  trans-67.196.6171-58.6177.1000106.7I233 Q237I233-I235 VanDerWaalsContact C-N 3.31Å; I233-I235 HydrophobicContact CG2-CG1 3.96Å; I233-I235 PolarHBondContact O-N 2.82Å; I235-Q237 PolarHBondContact O-N 2.84Å; I235-Q237 VanDerWaalsContact O-N 3.11Å
236Q27.9Very low35.1Very low171 Ų171123.7 Ų123.780%0.79963%0.627SS**  trans-76.396170.6-69.8-167.91.300109.2T234T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 HydrophobicContact CG2-CG 4.07Å; T234-Q236 PolarHBondContact O-N 2.76Å
237Q32.3Very low34.9Very low167 Ų167126.2 Ų126.278%0.7864%0.636SS**  trans56.7150158.4-62-165-7.300119.3I235 F239I235-Q237 PolarHBondContact O-N 2.84Å; I235-Q237 VanDerWaalsContact O-N 3.11Å; Q237-F239 PolarHBondContact O-N 2.93Å
238P33.1Very low35.4Very low93 Ų93130.3 Ų130.360%0.60465%0.645SS**  trans-70.3134.2-174.7-9.626.4000111.2M242P238-M242 HydrophobicContact CB-CE 3.71Å; P238-M242 HydrophobicContact CB-CG 4.48Å; P238-M242 HydrophobicContact CB-SD 3.87Å
239F35.5Very low35.7Very low129 Ų129124.2 Ų124.257%0.56662%0.619SS**  trans-67.3141.7169.6-92.8-101.1000110.4Q237 E241 M242Q237-F239 PolarHBondContact O-N 2.93Å; F239-E241 PolarHBondContact O-N 2.69Å; F239-M242 VanDerWaalsContact O-CB 3.31Å; F239-M242 WeakPolarHBondContact O-CB 3.37Å; F239-M242 PolarHBondContact O-N 2.96Å
240P41.4Very low35.9Very low112 Ų112121 Ų12173%0.72762%0.615SS**THydrogen-bonded Turntrans-61-16.1-17819.5-29.7000115.3M242P240-M242 PolarHBondContact O-N 2.73Å
241E46.6Very low36.2Very low145 Ų145118.6 Ų118.668%0.67861%0.61SS**THydrogen-bonded Turntrans-69.1-16.6170.1-81.1169.6146.600113.3F239F239-E241 PolarHBondContact O-N 2.69Å
242M38.2Very low36.1Very low57 Ų57117.2 Ų117.228%0.28160%0.604SS.*Hα-helixtrans-64.1-39.4175.9-84.9-151.3-144.400113P238 F239 P240 E244 I245 F246P238-M242 HydrophobicContact CB-CE 3.71Å; P238-M242 HydrophobicContact CB-CG 4.48Å; P238-M242 HydrophobicContact CB-SD 3.87Å; F239-M242 VanDerWaalsContact O-CB 3.31Å; F239-M242 WeakPolarHBondContact O-CB 3.37Å; F239-M242 PolarHBondContact O-N 2.96Å; P240-M242 PolarHBondContact O-N 2.73Å; M242-E244 VanDerWaalsContact C-N 3.3Å; M242-E244 PolarHBondContact O-N 2.9Å; M242-I245 PolarHBondContact O-N 2.84Å; M242-F246 WeakPolarHBondContact O-CB 3.4Å; M242-F246 WeakPolarHBondContact O-CD2 3.39Å; M242-F246 PolarHBondContact O-N 3.43Å; M242-F246 HydrophobicContact SD-CE2 4.36Å
243D37.6Very low36Very low113 Ų113121 Ų12160%0.60461%0.613SS**Hα-helixtrans-66.6-31.9-173-82.8-28.8000112.4R247D243-R247 VanDerWaalsContact O-CB 3.29Å; D243-R247 WeakPolarHBondContact O-CB 3.39Å; D243-R247 VanDerWaalsContact O-CG 3.28Å; D243-R247 WeakPolarHBondContact O-CG 3.19Å; D243-R247 PolarHBondContact O-N 2.86Å
244E48.9Very low35.8Very low144 Ų144122.3 Ų122.367%0.67362%0.618SS**Hα-helixtrans-74.1-37.8178.3-99.4-171.315600112.8M242 K248M242-E244 VanDerWaalsContact C-N 3.3Å; M242-E244 PolarHBondContact O-N 2.9Å; E244-K248 PolarHBondContact O-N 3.09Å; E244-K248 VanDerWaalsContact O-N 3.13Å
245I44.9Very low35.6Very low66 Ų66122.6 Ų122.634%0.33862%0.622SS.*Hα-helixtrans-70.4-44.8176.9-59.5174000109.5M242 R247 K248 E249 Y309M242-I245 PolarHBondContact O-N 2.84Å; I245-R247 PolarHBondContact O-N 2.89Å; I245-K248 PolarHBondContact O-N 3.42Å; I245-E249 PolarHBondContact O-N 3.49Å; I245-Y309 HydrophobicContact CD1-CD1 3.81Å; I245-Y309 HydrophobicContact CD1-CE1 3.89Å
246F38.9Very low35.4Very low71 Ų71125.2 Ų125.231%0.31163%0.628SS.*Hα-helixtrans-63.7-37.4176.1-95.7-84.8000113.3M242 S250M242-F246 WeakPolarHBondContact O-CB 3.4Å; M242-F246 WeakPolarHBondContact O-CD2 3.39Å; M242-F246 PolarHBondContact O-N 3.43Å; M242-F246 HydrophobicContact SD-CE2 4.36Å; F246-S250 VanDerWaalsContact O-CB 3.29Å; F246-S250 WeakPolarHBondContact O-CB 3.4Å; F246-S250 PolarHBondContact O-N 3.4Å; F246-S250 PolarHBondContact O-OG 2.98Å
247R42.5Very low35.3Very low201 Ų201122.1 Ų122.176%0.75863%0.625SS**Hα-helixtrans-67.4-37.6174.6-82.8-176.3-165.8-137.24.3112.9D243 I245 S251D243-R247 VanDerWaalsContact O-CB 3.29Å; D243-R247 WeakPolarHBondContact O-CB 3.39Å; D243-R247 VanDerWaalsContact O-CG 3.28Å; D243-R247 WeakPolarHBondContact O-CG 3.19Å; D243-R247 PolarHBondContact O-N 2.86Å; I245-R247 PolarHBondContact O-N 2.89Å; R247-S251 PolarHBondContact O-OG 3.09Å
248K43.5Very low35.1Very low161 Ų161121.2 Ų121.270%0.762%0.624SS**Hα-helixtrans-72.4-36.7176.7-88.4178.3176169.70112.7E244 I245 S251E244-K248 PolarHBondContact O-N 3.09Å; E244-K248 VanDerWaalsContact O-N 3.13Å; I245-K248 PolarHBondContact O-N 3.42Å; K248-S251 PolarHBondContact O-OG 2.88Å
249E40.5Very low34.8Very low61 Ų61125.8 Ų125.829%0.28564%0.638SS.*Hα-helixtrans-79-33.1177.4-80.7-154.7140.300113.4I245 S251 L252 K343I245-E249 PolarHBondContact O-N 3.49Å; E249-S251 PolarHBondContact O-N 3.4Å; E249-S251 VanDerWaalsContact O-N 3.13Å; E249-L252 HydrophobicContact CG-CD1 4.45Å; E249-L252 WeakPolarHBondContact O-CB 3.47Å; E249-L252 PolarHBondContact O-N 2.87Å; E249-K343 IonicContact OE1-NZ 3.04Å; E249-K343 PolarHBondContact OE1-NZ 3.3Å; E249-K343 IonicContact OE2-NZ 3.96Å; E249-K343 PolarHBondContact OE2-NZ 2.77Å
250S33.1Very low34.6Very low100 Ų100126.1 Ų126.170%0.69965%0.645SS**Hα-helixtrans-63-19.2173.7-660000113.3F246F246-S250 VanDerWaalsContact O-CB 3.29Å; F246-S250 WeakPolarHBondContact O-CB 3.4Å; F246-S250 PolarHBondContact O-N 3.4Å; F246-S250 PolarHBondContact O-OG 2.98Å
251S31.6Very low33.9Very low88 Ų88123.7 Ų123.762%0.61564%0.64SS**THydrogen-bonded Turntrans-82.7-917244.50000114.9R247 K248 E249 Q253R247-S251 PolarHBondContact O-OG 3.09Å; K248-S251 PolarHBondContact O-OG 2.88Å; E249-S251 PolarHBondContact O-N 3.4Å; E249-S251 VanDerWaalsContact O-N 3.13Å; S251-Q253 VanDerWaalsContact C-N 3.34Å; S251-Q253 PolarHBondContact O-N 3.3Å
252L28.3Very low33.2Very low121 Ų121123.4 Ų123.463%0.63465%0.654SS**SBendtrans-77.589.8167.1-73.9160.6000108E249 M254E249-L252 HydrophobicContact CG-CD1 4.45Å; E249-L252 WeakPolarHBondContact O-CB 3.47Å; E249-L252 PolarHBondContact O-N 2.87Å; L252-M254 PolarHBondContact O-N 3Å
253Q24.8Very low33Very low168 Ų168124.5 Ų124.579%0.78568%0.679SS**  trans-56.2105.5161.6-77.5-177.1-8.500107.9S251S251-Q253 VanDerWaalsContact C-N 3.34Å; S251-Q253 PolarHBondContact O-N 3.3Å
254M26.3Very low33.2Very low159 Ų159121.1 Ų121.178%0.78367%0.665SS**PPolyproline II helixtrans-48.6135.1159.5-66.6-64.7-6500107.5L252 K256L252-M254 PolarHBondContact O-N 3Å; M254-K256 PolarHBondContact O-N 3.41Å; M254-K256 VanDerWaalsContact O-N 3.15Å
255P23.6Very low32.8Very low117 Ų117120.4 Ų120.476%0.7667%0.665SS**PPolyproline II helixtrans-54.2127.5-175.420.5-30000109.3S257P255-S257 PolarHBondContact O-N 3.21Å; P255-S257 VanDerWaalsContact O-N 3.15Å
256K24.3Very low32.7Very low185 Ų185123.2 Ų123.280%0.80468%0.68SS**PPolyproline II helixtrans-48.4123.4176.8-79.1177.3176.6175.40109.1M254 I258M254-K256 PolarHBondContact O-N 3.41Å; M254-K256 VanDerWaalsContact O-N 3.15Å; K256-I258 PolarHBondContact O-N 2.85Å
257S25.3Very low33.2Very low107 Ų107128.9 Ų128.975%0.74870%0.7SS**  trans4.7104.7160.7-52.40000114.5P255 E259P255-S257 PolarHBondContact O-N 3.21Å; P255-S257 VanDerWaalsContact O-N 3.15Å; S257-E259 PolarHBondContact O-N 3.31Å; S257-E259 VanDerWaalsContact O-N 3.09Å
258I28.2Very low33.5Very low148 Ų148119.8 Ų119.876%0.75967%0.668SS**  trans-63109.2149.8-65.8172000104.8K256 L260K256-I258 PolarHBondContact O-N 2.85Å; I258-L260 HydrophobicContact CG2-CD1 3.61Å; I258-L260 PolarHBondContact O-N 3.47Å
259E26.9Very low33.9Very low188 Ų188116.2 Ų116.288%0.87965%0.653SS**  trans-60.784.6166.4-70.5-174.9162.900108.2S257 G261S257-E259 PolarHBondContact O-N 3.31Å; S257-E259 VanDerWaalsContact O-N 3.09Å; E259-G261 PolarHBondContact O-N 3.3Å
260L30.7Very low34.9Very low137 Ų137118.7 Ų118.772%0.71767%0.669SS**  trans-80.9106.3164-125.478.4000106.6I258I258-L260 HydrophobicContact CG2-CD1 3.61Å; I258-L260 PolarHBondContact O-N 3.47Å
261G26.6Very low36.5Very low60 Ų60119.2 Ų119.262%0.61966%0.66SS**  trans-48.5151.5-178.500000113.1E259 G263E259-G261 PolarHBondContact O-N 3.3Å; G261-G263 PolarHBondContact O-N 3.47Å
262S32.9Very low38.1Very low140 Ų140115.3 Ų115.398%0.97963%0.632SS**SBendtrans-62.829.3-176.754.40000115.8
263G33.2Very low40.1Very low79 Ų79112.5 Ų112.581%0.81463%0.626SS**SBendtrans-112.512.5-177.200000115.4G261G261-G263 PolarHBondContact O-N 3.47Å
264S41.2Very low42.5Very low42 Ų42110 Ų11029%0.29461%0.613SS.*  trans-138.127.2-170.6-160.70000115.5R267 A268S264-R267 VanDerWaalsContact OG-CB 3.26Å; S264-R267 WeakPolarHBondContact OG-CB 3.47Å; S264-A268 WeakPolarHBondContact O-CB 3.31Å; S264-A268 PolarHBondContact O-N 2.76Å
265L40.9Very low44.7Very low130 Ų130105 Ų10568%0.68159%0.587SS**Hα-helixtrans-66.5-47.2175.6-150.583.1000111.1R267 A268 E269L265-R267 PolarHBondContact O-N 2.84Å; L265-A268 VanDerWaalsContact O-CB 3.23Å; L265-A268 WeakPolarHBondContact O-CB 2.98Å; L265-A268 PolarHBondContact O-N 2.63Å; L265-E269 PolarHBondContact O-N 3.23Å; L265-E269 VanDerWaalsContact O-N 3.13Å
266D43.9Very low47Very low124 Ų124100.8 Ų100.866%0.66356%0.556SS**Hα-helixtrans-63.4-28.3178.1-64.1-23.2000113.8N270D266-N270 PolarHBondContact O-N 3.48Å; D266-N270 PolarHBondContact O-ND2 2.92Å
267R49.5Very low49.3Very low190 Ų19096.5 Ų96.572%0.71755%0.55SS**Hα-helixtrans-75.6-31.2176.8-130.5178.2-175.5159.51.2111.3S264 L265 E271S264-R267 VanDerWaalsContact OG-CB 3.26Å; S264-R267 WeakPolarHBondContact OG-CB 3.47Å; L265-R267 PolarHBondContact O-N 2.84Å; R267-E271 PolarHBondContact O-N 3.26Å
268A47.1Very low51.6Low10 Ų1096.8 Ų96.88%0.08354%0.539CS..Hα-helixtrans-71.3-49.8179.800000112.6S264 L265 N270 E271 I272 R296S264-A268 WeakPolarHBondContact O-CB 3.31Å; S264-A268 PolarHBondContact O-N 2.76Å; L265-A268 VanDerWaalsContact O-CB 3.23Å; L265-A268 WeakPolarHBondContact O-CB 2.98Å; L265-A268 PolarHBondContact O-N 2.63Å; A268-N270 PolarHBondContact O-N 3.38Å; A268-E271 PolarHBondContact O-N 3.44Å; A268-I272 PolarHBondContact O-N 3.42Å; A268-I272 VanDerWaalsContact O-N 3.14Å; A268-R296 VanDerWaalsContact CA-CZ 3.5Å
269E51.9Low53.5Low86 Ų8690.6 Ų90.640%0.40251%0.507SS..Hα-helixtrans-58.7-41.4177.9-65.5-176.7171.800110.2L265 E271 I272 A273L265-E269 PolarHBondContact O-N 3.23Å; L265-E269 VanDerWaalsContact O-N 3.13Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 2.89Å; E269-I272 PolarHBondContact O-N 3.14Å; E269-A273 VanDerWaalsContact O-CB 3.31Å; E269-A273 WeakPolarHBondContact O-CB 3.37Å; E269-A273 PolarHBondContact O-N 3.1Å
270N63.5Low55.5Low113 Ų11384.7 Ų84.760%0.60448%0.482SS*.Hα-helixtrans-61.3-36.8175.3-90.1-53.4000113.3D266 A268 K274D266-N270 PolarHBondContact O-N 3.48Å; D266-N270 PolarHBondContact O-ND2 2.92Å; A268-N270 PolarHBondContact O-N 3.38Å; N270-K274 WeakPolarHBondContact O-CB 3.42Å; N270-K274 PolarHBondContact O-N 3.14Å
271E65.8Low57.5Low112 Ų11281.7 Ų81.752%0.52347%0.465SS..Hα-helixtrans-69.8-40.6177.4-80.4178.5165.800112.2R267 A268 E269 F275 R296R267-E271 PolarHBondContact O-N 3.26Å; A268-E271 PolarHBondContact O-N 3.44Å; E269-E271 VanDerWaalsContact C-N 3.33Å; E269-E271 PolarHBondContact O-N 2.89Å; E271-F275 VanDerWaalsContact O-CB 3.28Å; E271-F275 WeakPolarHBondContact O-CB 3.43Å; E271-F275 PolarHBondContact O-N 3.29Å; E271-R296 IonicContact OE2-CZ 2.64Å; E271-R296 IonicContact OE2-NH1 3.6Å; E271-R296 PolarHBondContact OE2-NH1 2.96Å; E271-R296 IonicContact OE2-NH2 3.64Å
272I66Low59.5Low6 Ų689.2 Ų89.23%0.03148%0.475CS..Hα-helixtrans-67.7-48.3177.6-70.2164.3000110.4A268 E269 K274 F275 F276 M293 R296 I297 E300A268-I272 PolarHBondContact O-N 3.42Å; A268-I272 VanDerWaalsContact O-N 3.14Å; E269-I272 PolarHBondContact O-N 3.14Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3.04Å; I272-F275 PolarHBondContact O-N 3.38Å; I272-F276 HydrophobicContact CG2-CD2 3.74Å; I272-F276 HydrophobicContact CG2-CE2 3.72Å; I272-F276 WeakPolarHBondContact O-CD2 3.4Å; I272-F276 PolarHBondContact O-N 3.42Å; I272-M293 HydrophobicContact CB-CE 4.49Å; I272-M293 HydrophobicContact CG1-CE 4.14Å; I272-R296 HydrophobicContact CD1-CB 4.38Å; I272-R296 HydrophobicContact CD1-CG 3.92Å; I272-I297 HydrophobicContact CD1-CG1 3.81Å; I272-I297 HydrophobicContact CG1-CG1 3.95Å; I272-I297 HydrophobicContact CG2-CD1 4.11Å; I272-I297 HydrophobicContact CG2-CG1 3.77Å; I272-E300 WeakPolarHBondContact CD1-OE2 3.47Å
273A70.4Confident61.2Low61 Ų6189.4 Ų89.450%0.50445%0.454SS..Hα-helixtrans-61.5-44.2177.500000111.3E269 F276 S277E269-A273 VanDerWaalsContact O-CB 3.31Å; E269-A273 WeakPolarHBondContact O-CB 3.37Å; E269-A273 PolarHBondContact O-N 3.1Å; A273-F276 PolarHBondContact O-N 3.12Å; A273-S277 WeakPolarHBondContact O-CB 3.2Å; A273-S277 PolarHBondContact O-N 3.27Å
274K73.3Confident62.8Low117 Ų11792.5 Ų92.551%0.50945%0.452SS..Hα-helixtrans-61-46175-176.4-179.3177.2-173.50111.2N270 I272 S277 E278N270-K274 WeakPolarHBondContact O-CB 3.42Å; N270-K274 PolarHBondContact O-N 3.14Å; I272-K274 VanDerWaalsContact C-N 3.35Å; I272-K274 PolarHBondContact O-N 3.04Å; K274-S277 WeakPolarHBondContact CA-OG 3.41Å; K274-S277 PolarHBondContact O-N 3.42Å; K274-S277 PolarHBondContact O-OG 3.33Å; K274-E278 WeakPolarHBondContact CE-OE1 3.42Å; K274-E278 HydrophobicContact CG-CG 4.46Å; K274-E278 IonicContact NZ-OE1 2.73Å; K274-E278 WeakPolarHBondContact O-CB 3.24Å; K274-E278 PolarHBondContact O-N 3.45Å
275F73.3Confident64.4Low53 Ų5392 Ų9223%0.23245%0.445CS..Hα-helixtrans-58.2-53.5177-179.2-92.9000110.8E271 I272 S277 E278 F279 M293 F351E271-F275 VanDerWaalsContact O-CB 3.28Å; E271-F275 WeakPolarHBondContact O-CB 3.43Å; E271-F275 PolarHBondContact O-N 3.29Å; I272-F275 PolarHBondContact O-N 3.38Å; F275-S277 PolarHBondContact O-N 3.02Å; F275-E278 CarbonylContact O-C 3.42Å; F275-E278 PolarHBondContact O-N 3.21Å; F275-F279 HydrophobicContact CD1-CB 4.15Å; F275-F279 HydrophobicContact CD1-CD2 4.15Å; F275-F279 HydrophobicContact CD1-CG 4.4Å; F275-F279 HydrophobicContact CE1-CB 4.11Å; F275-F279 AromaticContact CE1-CD2 3.3Å; F275-F279 HydrophobicContact CE1-CD2 3.3Å; F275-F279 AromaticContact CE1-CE2 3.85Å; F275-F279 HydrophobicContact CE1-CE2 3.85Å; F275-F279 AromaticContact CE1-CG 3.87Å; F275-F279 HydrophobicContact CE1-CG 3.87Å; F275-F279 HydrophobicContact CE2-CD2 4.12Å; F275-F279 AromaticContact CZ-CD2 3.29Å; F275-F279 HydrophobicContact CZ-CD2 3.29Å; F275-F279 AromaticContact CZ-CE2 3.68Å; F275-F279 HydrophobicContact CZ-CE2 3.68Å; F275-F279 HydrophobicContact CZ-CG 4.27Å; F275-F279 WeakPolarHBondContact O-CA 3.48Å; F275-F279 WeakPolarHBondContact O-CB 3.38Å; F275-F279 PolarHBondContact O-N 3.23Å; F275-M293 HydrophobicContact CB-CE 3.22Å; F275-M293 HydrophobicContact CB-SD 4.26Å; F275-M293 HydrophobicContact CD1-CE 3.4Å; F275-M293 HydrophobicContact CD1-SD 3.9Å; F275-M293 HydrophobicContact CD2-CE 3.88Å; F275-M293 HydrophobicContact CD2-SD 3.77Å; F275-M293 HydrophobicContact CE1-CE 4.14Å; F275-M293 HydrophobicContact CE1-SD 4.08Å; F275-M293 HydrophobicContact CE2-SD 3.97Å; F275-M293 HydrophobicContact CG-CE 3.22Å; F275-M293 HydrophobicContact CG-SD 3.72Å; F275-M293 HydrophobicContact CZ-SD 4.11Å; F275-F351 HydrophobicContact CD1-CD1 4.48Å; F275-F351 HydrophobicContact CE1-CB 4.47Å; F275-F351 AromaticContact CE1-CD1 3.76Å; F275-F351 HydrophobicContact CE1-CD1 3.76Å; F275-F351 HydrophobicContact CE1-CE1 4.13Å; F275-F351 HydrophobicContact CE1-CG 4.16Å
276F72.6Confident65.8Low28 Ų2890.1 Ų90.112%0.12344%0.438CS..Hα-helixtrans-60-32.9178.1-80.5-68.5000113.1I272 A273 I297 F351 L354I272-F276 HydrophobicContact CG2-CD2 3.74Å; I272-F276 HydrophobicContact CG2-CE2 3.72Å; I272-F276 WeakPolarHBondContact O-CD2 3.4Å; I272-F276 PolarHBondContact O-N 3.42Å; A273-F276 PolarHBondContact O-N 3.12Å; F276-I297 HydrophobicContact CE2-CD1 3.57Å; F276-I297 HydrophobicContact CE2-CG1 4.39Å; F276-I297 HydrophobicContact CZ-CD1 3.81Å; F276-F351 HydrophobicContact CE1-CD1 4.46Å; F276-F351 HydrophobicContact CZ-CD1 4.23Å; F276-L354 HydrophobicContact CE1-CB 4.1Å; F276-L354 HydrophobicContact CZ-CB 4.13Å
277S71.3Confident67Low96 Ų9690.8 Ų90.867%0.67143%0.432SS*.Hα-helixtrans-69.4-33.1175.579.50000113.4A273 K274 F275A273-S277 WeakPolarHBondContact O-CB 3.2Å; A273-S277 PolarHBondContact O-N 3.27Å; K274-S277 WeakPolarHBondContact CA-OG 3.41Å; K274-S277 PolarHBondContact O-N 3.42Å; K274-S277 PolarHBondContact O-OG 3.33Å; F275-S277 PolarHBondContact O-N 3.02Å
278E73.2Confident68.1Low112 Ų11283.1 Ų83.152%0.52341%0.412SS..Hα-helixtrans-94.7-11.7179.1-69.4-178.8-178.500112.6K274 F275 D280K274-E278 WeakPolarHBondContact CE-OE1 3.42Å; K274-E278 HydrophobicContact CG-CG 4.46Å; K274-E278 IonicContact NZ-OE1 2.73Å; K274-E278 WeakPolarHBondContact O-CB 3.24Å; K274-E278 PolarHBondContact O-N 3.45Å; F275-E278 CarbonylContact O-C 3.42Å; F275-E278 PolarHBondContact O-N 3.21Å; E278-D280 PolarHBondContact O-N 2.91Å
279F69.9Low69.7Low19 Ų1988.3 Ų88.38%0.08344%0.438CS..  trans-77.2107.2-175.1-174-95000109.7F275 W348 F351F275-F279 HydrophobicContact CD1-CB 4.15Å; F275-F279 HydrophobicContact CD1-CD2 4.15Å; F275-F279 HydrophobicContact CD1-CG 4.4Å; F275-F279 HydrophobicContact CE1-CB 4.11Å; F275-F279 AromaticContact CE1-CD2 3.3Å; F275-F279 HydrophobicContact CE1-CD2 3.3Å; F275-F279 AromaticContact CE1-CE2 3.85Å; F275-F279 HydrophobicContact CE1-CE2 3.85Å; F275-F279 AromaticContact CE1-CG 3.87Å; F275-F279 HydrophobicContact CE1-CG 3.87Å; F275-F279 HydrophobicContact CE2-CD2 4.12Å; F275-F279 AromaticContact CZ-CD2 3.29Å; F275-F279 HydrophobicContact CZ-CD2 3.29Å; F275-F279 AromaticContact CZ-CE2 3.68Å; F275-F279 HydrophobicContact CZ-CE2 3.68Å; F275-F279 HydrophobicContact CZ-CG 4.27Å; F275-F279 WeakPolarHBondContact O-CA 3.48Å; F275-F279 WeakPolarHBondContact O-CB 3.38Å; F275-F279 PolarHBondContact O-N 3.23Å; F279-W348 HydrophobicContact CD2-CH2 4.33Å; F279-W348 HydrophobicContact CD2-CZ3 4.45Å; F279-W348 HydrophobicContact CE2-CD2 4.3Å; F279-W348 AromaticContact CE2-CE3 3.95Å; F279-W348 HydrophobicContact CE2-CE3 3.95Å; F279-W348 AromaticContact CE2-CH2 3.56Å; F279-W348 HydrophobicContact CE2-CH2 3.56Å; F279-W348 AromaticContact CE2-CZ2 3.84Å; F279-W348 HydrophobicContact CE2-CZ2 3.84Å; F279-W348 AromaticContact CE2-CZ3 3.62Å; F279-W348 HydrophobicContact CE2-CZ3 3.62Å; F279-W348 HydrophobicContact CZ-CD2 4.41Å; F279-W348 HydrophobicContact CZ-CE3 4.49Å; F279-W348 HydrophobicContact CZ-CH2 4.27Å; F279-W348 HydrophobicContact CZ-CZ2 4.08Å; F279-W348 HydrophobicContact CZ-CZ3 4.47Å; F279-F351 HydrophobicContact CE1-CB 4.29Å; F279-F351 HydrophobicContact CE2-CB 4.12Å; F279-F351 HydrophobicContact CZ-CB 3.8Å
280D68.8Low71.1Confident64 Ų6484.7 Ų84.734%0.34242%0.421SS..  trans-97114.2171.5-178.1-1.4000109.1E278 R282 R283E278-D280 PolarHBondContact O-N 2.91Å; D280-R282 PolarHBondContact O-N 3.49Å; D280-R282 VanDerWaalsContact O-N 3.08Å; D280-R282 WeakPolarHBondContact OD1-CB 3.5Å; D280-R282 WeakPolarHBondContact OD1-CG 3.36Å; D280-R282 PolarHBondContact OD1-N 2.97Å; D280-R283 HydrophobicContact CB-CG 4.07Å; D280-R283 VanDerWaalsContact O-CB 3.3Å; D280-R283 WeakPolarHBondContact O-CB 3.43Å; D280-R283 PolarHBondContact O-N 3.45Å
281I71.9Confident71.9Confident73 Ų7382.1 Ų82.137%0.37441%0.407SS..THydrogen-bonded Turntrans-53.9-24.1174.7177.6164.4000113.3R283 C352 I356I281-R283 VanDerWaalsContact C-N 3.27Å; I281-R283 PolarHBondContact O-N 2.97Å; I281-C352 HydrophobicContact CD1-CB 3.97Å; I281-C352 HydrophobicContact CG1-CB 4.07Å; I281-I356 HydrophobicContact CD1-CD1 3.39Å; I281-I356 HydrophobicContact CD1-CG1 3.67Å
282R68.6Low72.4Confident218 Ų21883.1 Ų83.182%0.82341%0.412SS*.THydrogen-bonded Turntrans-80-8177.8-54.3179.8-157.1157.48.2113.1D280D280-R282 PolarHBondContact O-N 3.49Å; D280-R282 VanDerWaalsContact O-N 3.08Å; D280-R282 WeakPolarHBondContact OD1-CB 3.5Å; D280-R282 WeakPolarHBondContact OD1-CG 3.36Å; D280-R282 PolarHBondContact OD1-N 2.97Å
283R69.7Low73.1Confident145 Ų14584.5 Ų84.555%0.54742%0.418SS..SBendtrans-67136.8175.5-77.6178.5-179.9-176.94.4109.7D280 I281 W348D280-R283 HydrophobicContact CB-CG 4.07Å; D280-R283 VanDerWaalsContact O-CB 3.3Å; D280-R283 WeakPolarHBondContact O-CB 3.43Å; D280-R283 PolarHBondContact O-N 3.45Å; I281-R283 VanDerWaalsContact C-N 3.27Å; I281-R283 PolarHBondContact O-N 2.97Å; R283-W348 HydrophobicContact CB-CZ2 4.33Å
284D66.8Low73.7Confident143 Ų14381.6 Ų81.677%0.76539%0.394SS*.PPolyproline II helixtrans-56.1148.6165.7-73.5-45.6000109.6V286D284-V286 WeakPolarHBondContact O-CG2 3.44Å; D284-V286 PolarHBondContact O-N 3.19Å
285F73.3Confident74.1Confident31 Ų3181 Ų8114%0.13639%0.394CS..PPolyproline II helixtrans-51.7127.4173.2167.6-96.5000110.8R287 E344 R345 W348F285-R287 HydrophobicContact CE1-CB 4.05Å; F285-R287 HydrophobicContact CE1-CG 4.18Å; F285-R287 HydrophobicContact CZ-CB 4.27Å; F285-R287 HydrophobicContact CZ-CG 4.09Å; F285-E344 HydrophobicContact CE2-CG 4.31Å; F285-E344 HydrophobicContact CZ-CG 4.23Å; F285-R345 HydrophobicContact CD2-CB 4.4Å; F285-R345 HydrophobicContact CD2-CG 4.06Å; F285-R345 HydrophobicContact CE2-CB 4.03Å; F285-R345 HydrophobicContact CE2-CG 4.2Å; F285-W348 HydrophobicContact CD2-CB 3.85Å; F285-W348 HydrophobicContact CD2-CD2 4.31Å; F285-W348 AromaticContact CD2-CG 3.87Å; F285-W348 HydrophobicContact CD2-CG 3.87Å; F285-W348 HydrophobicContact CE2-CB 4.2Å
286V71.6Confident74.4Confident91 Ų9182.6 Ų82.655%0.55240%0.398SS*.  trans-116.9115.1172.7-178.80000107.7D284 G288 H290D284-V286 WeakPolarHBondContact O-CG2 3.44Å; D284-V286 PolarHBondContact O-N 3.19Å; V286-G288 PolarHBondContact O-N 2.73Å; V286-H290 PolarHBondContact O-CE1 2.91Å; V286-H290 PolarHBondContact O-NE2 3.32Å
287R68.5Low74.8Confident139 Ų13981.3 Ų81.353%0.52539%0.392SS..  trans-53.2133.5176.9-146.1170.7-174-166.85.8110.8F285 E344F285-R287 HydrophobicContact CE1-CB 4.05Å; F285-R287 HydrophobicContact CE1-CG 4.18Å; F285-R287 HydrophobicContact CZ-CB 4.27Å; F285-R287 HydrophobicContact CZ-CG 4.09Å; R287-E344 WeakPolarHBondContact CG-OE1 3.44Å; R287-E344 WeakPolarHBondContact CG-OE2 3.42Å; R287-E344 IonicContact CZ-OE2 3.73Å; R287-E344 IonicContact NE-OE2 2.84Å; R287-E344 PolarHBondContact NE-OE2 2.9Å; R287-E344 IonicContact NH2-OE2 3.89Å
288G73.6Confident75.3Confident29 Ų2977.1 Ų77.130%0.29936%0.363SS..SBendtrans178.3-177.6-172.300000114V286 H290 E344V286-G288 PolarHBondContact O-N 2.73Å; G288-H290 PolarHBondContact O-N 3.44Å; G288-E344 PolarHBondContact N-OE1 3.38Å
289N79.3Confident75.7Confident118 Ų11881.8 Ų81.863%0.63138%0.376SS*.SBendtrans-74.845.3-175-78.89.4000114.4L291 E292 M293N289-L291 VanDerWaalsContact C-N 3.31Å; N289-L291 PolarHBondContact O-N 2.88Å; N289-E292 HydrophobicContact CB-CB 4.26Å; N289-E292 PolarHBondContact ND2-OE2 3.08Å; N289-E292 PolarHBondContact O-N 3.4Å; N289-M293 WeakPolarHBondContact O-CB 3.49Å; N289-M293 PolarHBondContact O-N 3.31Å
290H81.2Confident76.2Confident11 Ų1185 Ų855%0.05139%0.391CS..Hα-helixtrans-60.5-39.4179.5-55.3138.9000112.3V286 G288 M293 L294 E344 A347 W348 F351V286-H290 PolarHBondContact O-CE1 2.91Å; V286-H290 PolarHBondContact O-NE2 3.32Å; G288-H290 PolarHBondContact O-N 3.44Å; H290-M293 PolarHBondContact O-N 3.06Å; H290-L294 WeakPolarHBondContact O-CB 3.43Å; H290-L294 PolarHBondContact O-N 3.44Å; H290-E344 PolarHBondContact ND1-O 2.83Å; H290-A347 HydrophobicContact CB-CB 3.83Å; H290-W348 AromaticContact CD2-CE3 3.72Å; H290-W348 AromaticContact CE1-CE3 3.34Å; H290-W348 AromaticContact CE1-CZ3 3.93Å; H290-W348 AromaticContact NE2-CE3 3.12Å; H290-W348 AromaticContact NE2-CZ3 3.38Å; H290-W348 WeakPolarHBondContact NE2-CZ3 3.12Å; H290-F351 HydrophobicContact CB-CD2 4.37Å; H290-F351 HydrophobicContact CB-CE2 3.8Å; H290-F351 VanDerWaalsContact O-CE2 3.28Å; H290-F351 WeakPolarHBondContact O-CE2 3.22Å; H290-F351 WeakPolarHBondContact O-CZ 3.19Å
291L81Confident76.8Confident59 Ų5985.6 Ų85.631%0.30939%0.392SS..Hα-helixtrans-63.6-46.1179.9-74.3163.4000111.7N289 M293 L294 H295 F307 K343 A347N289-L291 VanDerWaalsContact C-N 3.31Å; N289-L291 PolarHBondContact O-N 2.88Å; L291-M293 VanDerWaalsContact C-N 3.33Å; L291-L294 PolarHBondContact O-N 3.26Å; L291-H295 WeakPolarHBondContact O-CB 3.38Å; L291-H295 PolarHBondContact O-N 2.95Å; L291-F307 HydrophobicContact CD2-CE1 4.48Å; L291-F307 HydrophobicContact CD2-CE2 3.65Å; L291-F307 HydrophobicContact CD2-CZ 3.41Å; L291-F307 VanDerWaalsContact CD2-CZ 3.41Å; L291-K343 HydrophobicContact CD1-CB 4.26Å; L291-K343 HydrophobicContact CD2-CB 4.36Å; L291-A347 HydrophobicContact CD2-CB 4.06Å; L291-A347 HydrophobicContact CG-CB 4.3Å
292E76.3Confident77.4Confident133 Ų13387.4 Ų87.462%0.62141%0.411SS*.Hα-helixtrans-64.5-42178.3-167.7175.1-159.100110.9N289 H295 R296N289-E292 HydrophobicContact CB-CB 4.26Å; N289-E292 PolarHBondContact ND2-OE2 3.08Å; N289-E292 PolarHBondContact O-N 3.4Å; E292-H295 PolarHBondContact O-N 3.16Å; E292-R296 PolarHBondContact O-N 2.9Å
293M79.7Confident78.2Confident34 Ų3477.9 Ų77.917%0.16738%0.375CS..Hα-helixtrans-67.5-38.5177.3-172.3169.2-172.200112.6I272 F275 N289 H290 L291 H295 R296 I297 F351I272-M293 HydrophobicContact CB-CE 4.49Å; I272-M293 HydrophobicContact CG1-CE 4.14Å; F275-M293 HydrophobicContact CB-CE 3.22Å; F275-M293 HydrophobicContact CB-SD 4.26Å; F275-M293 HydrophobicContact CD1-CE 3.4Å; F275-M293 HydrophobicContact CD1-SD 3.9Å; F275-M293 HydrophobicContact CD2-CE 3.88Å; F275-M293 HydrophobicContact CD2-SD 3.77Å; F275-M293 HydrophobicContact CE1-CE 4.14Å; F275-M293 HydrophobicContact CE1-SD 4.08Å; F275-M293 HydrophobicContact CE2-SD 3.97Å; F275-M293 HydrophobicContact CG-CE 3.22Å; F275-M293 HydrophobicContact CG-SD 3.72Å; F275-M293 HydrophobicContact CZ-SD 4.11Å; N289-M293 WeakPolarHBondContact O-CB 3.49Å; N289-M293 PolarHBondContact O-N 3.31Å; H290-M293 PolarHBondContact O-N 3.06Å; L291-M293 VanDerWaalsContact C-N 3.33Å; M293-H295 VanDerWaalsContact C-N 3.32Å; M293-R296 WeakPolarHBondContact O-CB 3.28Å; M293-R296 PolarHBondContact O-N 3.45Å; M293-I297 HydrophobicContact CE-CD1 4.46Å; M293-I297 HydrophobicContact CG-CD1 4.31Å; M293-I297 WeakPolarHBondContact O-CG1 3.4Å; M293-I297 PolarHBondContact O-N 3.35Å; M293-F351 HydrophobicContact CB-CE1 4.36Å; M293-F351 HydrophobicContact CB-CZ 3.72Å; M293-F351 HydrophobicContact CE-CE1 4.49Å; M293-F351 HydrophobicContact CG-CE1 3.8Å; M293-F351 HydrophobicContact CG-CZ 3.68Å; M293-F351 HydrophobicContact SD-CE1 4.13Å; M293-F351 HydrophobicContact SD-CZ 4.26Å
294L83.4Confident78.7Confident0 Ų077 Ų770%038%0.381CS..Hα-helixtrans-63.4-43.6176.3-174.877.4000109.5H290 L291 R296 I297 S298 W303 Y305 L322 A347 A350 F351 L354H290-L294 WeakPolarHBondContact O-CB 3.43Å; H290-L294 PolarHBondContact O-N 3.44Å; L291-L294 PolarHBondContact O-N 3.26Å; L294-R296 VanDerWaalsContact C-N 3.29Å; L294-R296 PolarHBondContact O-N 2.95Å; L294-I297 PolarHBondContact O-N 2.97Å; L294-S298 WeakPolarHBondContact O-CB 3.35Å; L294-S298 PolarHBondContact O-N 3.38Å; L294-S298 PolarHBondContact O-OG 2.99Å; L294-W303 HydrophobicContact CD1-CH2 3.8Å; L294-W303 HydrophobicContact CD1-CZ3 4.44Å; L294-W303 HydrophobicContact CG-CH2 4.25Å; L294-Y305 HydrophobicContact CD2-CD1 4.24Å; L294-Y305 HydrophobicContact CD2-CD2 4.14Å; L294-Y305 HydrophobicContact CD2-CE1 4.15Å; L294-Y305 HydrophobicContact CD2-CE2 4.1Å; L294-Y305 HydrophobicContact CD2-CG 4.2Å; L294-Y305 HydrophobicContact CG-CD1 4.39Å; L294-Y305 HydrophobicContact CG-CE1 4.2Å; L294-L322 HydrophobicContact CD2-CD1 4.49Å; L294-L322 HydrophobicContact CD2-CD2 3.76Å; L294-A347 HydrophobicContact CD2-CB 4.21Å; L294-A350 HydrophobicContact CD1-CB 3.88Å; L294-F351 HydrophobicContact CB-CE2 4.12Å; L294-F351 HydrophobicContact CB-CZ 3.99Å; L294-F351 HydrophobicContact CD1-CE2 4.44Å; L294-F351 HydrophobicContact CD1-CZ 4.46Å; L294-L354 HydrophobicContact CD1-CD1 4.44Å
295H83.1Confident79.6Confident106 Ų10672.8 Ų72.849%0.49136%0.355SS..Hα-helixtrans-61.6-38.8176.9-146.934.6000112L291 E292 M293 S298 R299 Y305L291-H295 WeakPolarHBondContact O-CB 3.38Å; L291-H295 PolarHBondContact O-N 2.95Å; E292-H295 PolarHBondContact O-N 3.16Å; M293-H295 VanDerWaalsContact C-N 3.32Å; H295-S298 WeakPolarHBondContact CA-OG 3.37Å; H295-S298 PolarHBondContact O-OG 3.26Å; H295-R299 PolarHBondContact O-N 3.42Å; H295-Y305 WeakPolarHBondContact CB-OH 3.47Å; H295-Y305 VanDerWaalsContact CG-OH 3.29Å; H295-Y305 AromaticContact ND1-CE1 3.52Å; H295-Y305 AromaticContact ND1-CZ 3.52Å; H295-Y305 PolarHBondContact ND1-OH 3.32Å
296R77.8Confident80.1Confident85 Ų8576 Ų7632%0.32137%0.37SS..Hα-helixtrans-63-49.6175.5-160-176.8-165.9174.113.1112.3A268 E271 I272 E292 M293 L294 S298 R299 E300A268-R296 VanDerWaalsContact CA-CZ 3.5Å; E271-R296 IonicContact OE2-CZ 2.64Å; E271-R296 IonicContact OE2-NH1 3.6Å; E271-R296 PolarHBondContact OE2-NH1 2.96Å; E271-R296 IonicContact OE2-NH2 3.64Å; I272-R296 HydrophobicContact CD1-CB 4.38Å; I272-R296 HydrophobicContact CD1-CG 3.92Å; E292-R296 PolarHBondContact O-N 2.9Å; M293-R296 WeakPolarHBondContact O-CB 3.28Å; M293-R296 PolarHBondContact O-N 3.45Å; L294-R296 VanDerWaalsContact C-N 3.29Å; L294-R296 PolarHBondContact O-N 2.95Å; R296-S298 PolarHBondContact O-N 3.4Å; R296-R299 PolarHBondContact O-N 3.44Å; R296-E300 PolarHBondContact O-N 3.45Å; R296-E300 VanDerWaalsContact O-N 3.15Å
297I82.2Confident80.6Confident1 Ų173.2 Ų73.21%0.00535%0.351CS..Hα-helixtrans-65.1-41.2179.8-62.4164.3000110.9I272 F276 M293 L294 R299 E300 E301 W303 F351I272-I297 HydrophobicContact CD1-CG1 3.81Å; I272-I297 HydrophobicContact CG1-CG1 3.95Å; I272-I297 HydrophobicContact CG2-CD1 4.11Å; I272-I297 HydrophobicContact CG2-CG1 3.77Å; F276-I297 HydrophobicContact CE2-CD1 3.57Å; F276-I297 HydrophobicContact CE2-CG1 4.39Å; F276-I297 HydrophobicContact CZ-CD1 3.81Å; M293-I297 HydrophobicContact CE-CD1 4.46Å; M293-I297 HydrophobicContact CG-CD1 4.31Å; M293-I297 WeakPolarHBondContact O-CG1 3.4Å; M293-I297 PolarHBondContact O-N 3.35Å; L294-I297 PolarHBondContact O-N 2.97Å; I297-R299 PolarHBondContact O-N 3.05Å; I297-E300 PolarHBondContact O-N 2.88Å; I297-E301 HydrophobicContact CG2-CG 4.14Å; I297-E301 PolarHBondContact O-N 3.3Å; I297-W303 HydrophobicContact CB-CZ2 4.23Å; I297-W303 HydrophobicContact CG2-CZ2 3.68Å; I297-F351 HydrophobicContact CD1-CD1 4.07Å; I297-F351 HydrophobicContact CD1-CE1 3.35Å; I297-F351 HydrophobicContact CD1-CZ 4.24Å
298S81.8Confident81.1Confident8 Ų868.8 Ų68.86%0.05634%0.338CS..Hα-helixtrans-55.8-39.4178.376.40000112.2L294 H295 R296 S302 W303L294-S298 WeakPolarHBondContact O-CB 3.35Å; L294-S298 PolarHBondContact O-N 3.38Å; L294-S298 PolarHBondContact O-OG 2.99Å; H295-S298 WeakPolarHBondContact CA-OG 3.37Å; H295-S298 PolarHBondContact O-OG 3.26Å; R296-S298 PolarHBondContact O-N 3.4Å; S298-S302 WeakPolarHBondContact O-CA 3.15Å; S298-S302 PolarHBondContact O-N 3.03Å; S298-W303 CarbonylContact C-O 3.51Å; S298-W303 VanDerWaalsContact CB-O 3.25Å; S298-W303 WeakPolarHBondContact CB-O 3.26Å; S298-W303 PolarHBondContact O-N 3.48Å; S298-W303 VanDerWaalsContact O-O 3.1Å
299R81.1Confident81.5Confident210 Ų21070 Ų7079%0.79233%0.333SS*.Hα-helixtrans-70.6-39.8175.3-82.1-171.4153.7-158.1-5.8113.3H295 R296 I297H295-R299 PolarHBondContact O-N 3.42Å; R296-R299 PolarHBondContact O-N 3.44Å; I297-R299 PolarHBondContact O-N 3.05Å
300E80.6Confident81.5Confident88 Ų8866.6 Ų66.641%0.41132%0.322SS..Hα-helixtrans-70.9-43.6-177.7-164.4174.4142.100111.4I272 R296 I297 S302I272-E300 WeakPolarHBondContact CD1-OE2 3.47Å; R296-E300 PolarHBondContact O-N 3.45Å; R296-E300 VanDerWaalsContact O-N 3.15Å; I297-E300 PolarHBondContact O-N 2.88Å; E300-S302 VanDerWaalsContact C-N 3.34Å
301E81.9Confident81.6Confident75 Ų7567 Ų6735%0.3533%0.329SS..THydrogen-bonded Turntrans-89.81.9-179.8-68.2-170.7176.500113.8I297 W303 K358I297-E301 HydrophobicContact CG2-CG 4.14Å; I297-E301 PolarHBondContact O-N 3.3Å; E301-W303 PolarHBondContact OE2-NE1 3.17Å; E301-K358 WeakPolarHBondContact OE1-CE 3.27Å; E301-K358 IonicContact OE1-NZ 3.23Å; E301-K358 PolarHBondContact OE1-NZ 2.86Å
302S84.8Confident81.6Confident111 Ų11170.1 Ų70.178%0.77634%0.34SS*.THydrogen-bonded Turntrans57.547.8174.7-56.20000114.5S298 E300S298-S302 WeakPolarHBondContact O-CA 3.15Å; S298-S302 PolarHBondContact O-N 3.03Å; E300-S302 VanDerWaalsContact C-N 3.34Å
303W84.7Confident81.8Confident19 Ų1965.7 Ų65.77%0.07232%0.32CS..  trans-128.9150.3170.150.5-101.4000110.9L294 I297 S298 E301 Y305 L324 T326 L354L294-W303 HydrophobicContact CD1-CH2 3.8Å; L294-W303 HydrophobicContact CD1-CZ3 4.44Å; L294-W303 HydrophobicContact CG-CH2 4.25Å; I297-W303 HydrophobicContact CB-CZ2 4.23Å; I297-W303 HydrophobicContact CG2-CZ2 3.68Å; S298-W303 CarbonylContact C-O 3.51Å; S298-W303 VanDerWaalsContact CB-O 3.25Å; S298-W303 WeakPolarHBondContact CB-O 3.26Å; S298-W303 PolarHBondContact O-N 3.48Å; S298-W303 VanDerWaalsContact O-O 3.1Å; E301-W303 PolarHBondContact OE2-NE1 3.17Å; W303-Y305 HydrophobicContact CE3-CD1 4.39Å; W303-Y305 AromaticContact CZ3-CD1 3.74Å; W303-Y305 HydrophobicContact CZ3-CD1 3.74Å; W303-Y305 HydrophobicContact CZ3-CG 4.39Å; W303-L324 HydrophobicContact CE3-CD2 4.47Å; W303-L324 HydrophobicContact CH2-CD2 4.3Å; W303-L324 HydrophobicContact CZ3-CD2 3.82Å; W303-T326 HydrophobicContact CB-CG2 4.24Å; W303-T326 HydrophobicContact CD2-CG2 3.82Å; W303-T326 HydrophobicContact CE3-CG2 4.45Å; W303-T326 HydrophobicContact CG-CG2 3.7Å; W303-L354 HydrophobicContact CH2-CD1 4.06Å; W303-L354 HydrophobicContact CZ2-CD1 3.75Å; W303-L354 HydrophobicContact CZ2-CD2 4.38Å
304D79.6Confident81.8Confident127 Ų12767.3 Ų67.368%0.67933%0.332SS*.  trans-96.8163.3175.9-70.4-52.8000112S325D304-S325 VanDerWaalsContact C-OG 3.27Å; D304-S325 WeakPolarHBondContact CA-OG 3.43Å; D304-S325 PolarHBondContact N-OG 3.08Å; D304-S325 WeakPolarHBondContact O-CB 3.45Å; D304-S325 PolarHBondContact O-N 3.15Å; D304-S325 PolarHBondContact O-OG 3.33Å
305Y85.6Confident81.6Confident54 Ų5473.4 Ų73.421%0.21237%0.365CS..EExtended strand (participates in β ladder)trans-142.5153.7171.565-93.2000112L294 H295 W303 F307 L322 Q323L294-Y305 HydrophobicContact CD2-CD1 4.24Å; L294-Y305 HydrophobicContact CD2-CD2 4.14Å; L294-Y305 HydrophobicContact CD2-CE1 4.15Å; L294-Y305 HydrophobicContact CD2-CE2 4.1Å; L294-Y305 HydrophobicContact CD2-CG 4.2Å; L294-Y305 HydrophobicContact CG-CD1 4.39Å; L294-Y305 HydrophobicContact CG-CE1 4.2Å; H295-Y305 WeakPolarHBondContact CB-OH 3.47Å; H295-Y305 VanDerWaalsContact CG-OH 3.29Å; H295-Y305 AromaticContact ND1-CE1 3.52Å; H295-Y305 AromaticContact ND1-CZ 3.52Å; H295-Y305 PolarHBondContact ND1-OH 3.32Å; W303-Y305 HydrophobicContact CE3-CD1 4.39Å; W303-Y305 AromaticContact CZ3-CD1 3.74Å; W303-Y305 HydrophobicContact CZ3-CD1 3.74Å; W303-Y305 HydrophobicContact CZ3-CG 4.39Å; Y305-F307 HydrophobicContact CD2-CD2 4.24Å; Y305-F307 HydrophobicContact CD2-CE2 4Å; Y305-F307 HydrophobicContact CE2-CD2 4.11Å; Y305-F307 AromaticContact CE2-CE2 3.68Å; Y305-F307 HydrophobicContact CE2-CE2 3.68Å; Y305-L322 HydrophobicContact CD2-CD1 3.57Å; Y305-L322 HydrophobicContact CG-CD1 4.09Å; Y305-Q323 CarbonylContact C-O 3.47Å; Y305-Q323 WeakPolarHBondContact CA-O 3.38Å; Y305-Q323 WeakPolarHBondContact CB-O 3.34Å
306E83.4Confident81.5Confident98 Ų9870.1 Ų70.146%0.45836%0.36SS..EExtended strand (participates in β ladder)trans-134.5133-178.8-173.5173.7-16300111.1L322 Q323E306-L322 WeakPolarHBondContact O-CA 3.48Å; E306-Q323 PolarHBondContact N-O 2.89Å; E306-Q323 PolarHBondContact O-N 2.82Å
307F82.2Confident81.9Confident32 Ų3268.8 Ų68.814%0.1436%0.359CS..EExtended strand (participates in β ladder)trans-91.7125.8172.3-78.8-79.7000110.2L291 Y305 F320 F321 L322 K343 A346L291-F307 HydrophobicContact CD2-CE1 4.48Å; L291-F307 HydrophobicContact CD2-CE2 3.65Å; L291-F307 HydrophobicContact CD2-CZ 3.41Å; L291-F307 VanDerWaalsContact CD2-CZ 3.41Å; Y305-F307 HydrophobicContact CD2-CD2 4.24Å; Y305-F307 HydrophobicContact CD2-CE2 4Å; Y305-F307 HydrophobicContact CE2-CD2 4.11Å; Y305-F307 AromaticContact CE2-CE2 3.68Å; Y305-F307 HydrophobicContact CE2-CE2 3.68Å; F307-F320 HydrophobicContact CB-CD1 3.9Å; F307-F320 HydrophobicContact CB-CE1 4.2Å; F307-F320 HydrophobicContact CD1-CB 4.21Å; F307-F320 HydrophobicContact CD1-CD1 4.07Å; F307-F320 HydrophobicContact CD1-CG 4.32Å; F307-F320 HydrophobicContact CG-CD1 4.43Å; F307-F321 CarbonylContact C-O 3.06Å; F307-F321 WeakPolarHBondContact CA-O 3.35Å; F307-L322 HydrophobicContact CD1-CB 4.12Å; F307-L322 HydrophobicContact CD1-CD1 3.99Å; F307-L322 HydrophobicContact CD2-CD1 4.01Å; F307-L322 HydrophobicContact CE1-CB 3.96Å; F307-L322 HydrophobicContact CE1-CD1 3.81Å; F307-L322 HydrophobicContact CE1-CD2 4.07Å; F307-L322 HydrophobicContact CE1-CG 4.17Å; F307-L322 HydrophobicContact CE2-CD1 3.83Å; F307-L322 HydrophobicContact CG-CD1 4.08Å; F307-L322 HydrophobicContact CZ-CD1 3.72Å; F307-L322 HydrophobicContact CZ-CD2 4Å; F307-L322 HydrophobicContact CZ-CG 4.33Å; F307-K343 HydrophobicContact CD1-CG 4.07Å; F307-K343 HydrophobicContact CE1-CB 4.08Å; F307-K343 HydrophobicContact CE1-CG 4.14Å; F307-K343 HydrophobicContact CZ-CB 4.38Å; F307-A346 HydrophobicContact CE1-CB 3.89Å
308L80.4Confident82Confident47 Ų4770 Ų7025%0.24636%0.364CS..EExtended strand (participates in β ladder)trans-115.9114.1175.5-68.1163.8000108.5A310 F320 F321L308-A310 PolarHBondContact O-N 3.04Å; L308-F320 CarbonylContact O-C 3.54Å; L308-F320 WeakPolarHBondContact O-CA 3.46Å; L308-F321 HydrophobicContact CB-CB 4.17Å; L308-F321 PolarHBondContact N-O 2.8Å; L308-F321 PolarHBondContact O-N 3.38Å
309Y80.7Confident82.3Confident53 Ų5370.2 Ų70.221%0.20837%0.366CS..EExtended strand (participates in β ladder)trans-65.6125.9176.9179.7-119.2000110.3I245 E318 C319 F320 L339I245-Y309 HydrophobicContact CD1-CD1 3.81Å; I245-Y309 HydrophobicContact CD1-CE1 3.89Å; Y309-E318 VanDerWaalsContact CE2-OE2 3.29Å; Y309-E318 WeakPolarHBondContact CE2-OE2 3.48Å; Y309-E318 VanDerWaalsContact CZ-OE2 3.31Å; Y309-E318 PolarHBondContact OH-OE2 2.83Å; Y309-C319 WeakPolarHBondContact CD2-O 3.39Å; Y309-F320 HydrophobicContact CD2-CD2 4.12Å; Y309-F320 HydrophobicContact CD2-CE1 4.21Å; Y309-F320 AromaticContact CD2-CE2 3.7Å; Y309-F320 HydrophobicContact CD2-CE2 3.7Å; Y309-F320 AromaticContact CD2-CZ 3.72Å; Y309-F320 HydrophobicContact CD2-CZ 3.72Å; Y309-F320 HydrophobicContact CE2-CE2 4.4Å; Y309-F320 HydrophobicContact CG-CE1 4.42Å; Y309-F320 HydrophobicContact CG-CZ 4.22Å; Y309-L339 HydrophobicContact CD2-CD2 3.92Å; Y309-L339 HydrophobicContact CE2-CD2 3.54Å
310A80.8Confident82.4Confident47 Ų4760.5 Ų60.539%0.38833%0.329SS..EExtended strand (participates in β ladder)trans-100-1.7-175.700000113.2L308 C319 F321L308-A310 PolarHBondContact O-N 3.04Å; A310-C319 HydrophobicContact CB-CB 3.89Å; A310-C319 PolarHBondContact N-O 2.98Å; A310-F321 HydrophobicContact CB-CD2 3.63Å; A310-F321 HydrophobicContact CB-CE2 3.55Å; A310-F321 HydrophobicContact CB-CZ 4.39Å
311G81.5Confident82.8Confident19 Ų1960.2 Ų60.220%0.19633%0.327CS..EExtended strand (participates in β ladder)trans91-157.9-174.500000112.6C319G311-C319 WeakPolarHBondContact O-CB 3.32Å; G311-C319 PolarHBondContact O-N 2.82Å
312K82.4Confident83.1Confident125 Ų12556.6 Ų56.654%0.54331%0.31SS..EExtended strand (participates in β ladder)trans-99.3140.1173.8-68.8-176.3173.4-166.70111.2L317 E318K312-L317 CarbonylContact C-O 3.6Å; K312-L317 WeakPolarHBondContact CA-O 3.49Å; K312-E318 WeakPolarHBondContact CE-OE1 3.45Å; K312-E318 IonicContact NZ-OE1 3.62Å; K312-E318 PolarHBondContact NZ-OE1 2.93Å
313D80.8Confident83.3Confident40 Ų4054.9 Ų54.921%0.21429%0.29CS..  trans-74.3-172.3173.168.414000112.7D315 G316 L317 C319D313-D315 PolarHBondContact O-N 3.37Å; D313-D315 WeakPolarHBondContact OD1-CA 3.23Å; D313-D315 PolarHBondContact OD1-N 2.77Å; D313-G316 PolarHBondContact O-N 2.84Å; D313-G316 VanDerWaalsContact O-N 3.16Å; D313-G316 PolarHBondContact OD1-N 2.81Å; D313-L317 PolarHBondContact N-O 2.99Å; D313-L317 WeakPolarHBondContact OD1-CB 3.44Å; D313-L317 PolarHBondContact OD1-N 3.08Å; D313-L317 WeakPolarHBondContact OD2-CB 3.38Å; D313-C319 VanDerWaalsContact CB-SG 3.59Å
314V79.3Confident83.3Confident69 Ų6954 Ų5442%0.41829%0.286SS..THydrogen-bonded Turntrans-63.8-24.7179.1-65.30000113.5V45 I58V45-V314 HydrophobicContact CG1-CG1 3.87Å; V45-V314 HydrophobicContact CG2-CG1 4.39Å; I58-V314 HydrophobicContact CD1-CB 4.45Å
315D79.6Confident83.5Confident127 Ų12750.4 Ų50.468%0.67927%0.271SS*.THydrogen-bonded Turntrans-94.7-1.4179.1-63.7-45.8000112.1D313 L317D313-D315 PolarHBondContact O-N 3.37Å; D313-D315 WeakPolarHBondContact OD1-CA 3.23Å; D313-D315 PolarHBondContact OD1-N 2.77Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 HydrophobicContact CB-CG 4.31Å
316G81Confident83.4Confident38 Ų3848.6 Ų48.639%0.39227%0.266SS..SBendtrans82.711.6-179.700000113.9D313D313-G316 PolarHBondContact O-N 2.84Å; D313-G316 VanDerWaalsContact O-N 3.16Å; D313-G316 PolarHBondContact OD1-N 2.81Å
317L85.4Confident83.1Confident56 Ų5650.9 Ų50.929%0.29329%0.286SS..  trans-76.9138.9175.7-57.1176.1000109.8K312 D313 D315 C319 G336 A337K312-L317 CarbonylContact C-O 3.6Å; K312-L317 WeakPolarHBondContact CA-O 3.49Å; D313-L317 PolarHBondContact N-O 2.99Å; D313-L317 WeakPolarHBondContact OD1-CB 3.44Å; D313-L317 PolarHBondContact OD1-N 3.08Å; D313-L317 WeakPolarHBondContact OD2-CB 3.38Å; D315-L317 VanDerWaalsContact C-N 3.35Å; D315-L317 HydrophobicContact CB-CG 4.31Å; L317-C319 PolarHBondContact O-SG 3.23Å; L317-G336 CarbonylContact C-O 3.58Å; L317-G336 WeakPolarHBondContact CA-O 3.32Å; L317-G336 WeakPolarHBondContact CB-O 3.48Å; L317-A337 HydrophobicContact CD2-CB 4.25Å
318E85Confident83Confident27 Ų2753.6 Ų53.613%0.12631%0.307CS..EExtended strand (participates in β ladder)trans-62.6137.7172.8-58.3-64.7169.700109.5Y309 K312 S335 G336 L339 A342Y309-E318 VanDerWaalsContact CE2-OE2 3.29Å; Y309-E318 WeakPolarHBondContact CE2-OE2 3.48Å; Y309-E318 VanDerWaalsContact CZ-OE2 3.31Å; Y309-E318 PolarHBondContact OH-OE2 2.83Å; K312-E318 WeakPolarHBondContact CE-OE1 3.45Å; K312-E318 IonicContact NZ-OE1 3.62Å; K312-E318 PolarHBondContact NZ-OE1 2.93Å; E318-S335 CarbonylContact O-C 3.47Å; E318-S335 WeakPolarHBondContact O-CA 3.5Å; E318-G336 PolarHBondContact N-O 3.2Å; E318-G336 PolarHBondContact O-N 3.48Å; E318-L339 HydrophobicContact CB-CD2 4.08Å; E318-L339 HydrophobicContact CG-CD2 4.03Å; E318-L339 HydrophobicContact CG-CG 4.17Å; E318-A342 HydrophobicContact CB-CB 4.02Å; E318-A342 WeakPolarHBondContact O-CB 3.39Å
319C87.1Confident83.1Confident13 Ų1355.9 Ų55.99%0.08832%0.323CS..EExtended strand (participates in β ladder)trans-126.8140-177.2-66.10000111.7Y309 A310 G311 D313 L317 G334Y309-C319 WeakPolarHBondContact CD2-O 3.39Å; A310-C319 HydrophobicContact CB-CB 3.89Å; A310-C319 PolarHBondContact N-O 2.98Å; G311-C319 WeakPolarHBondContact O-CB 3.32Å; G311-C319 PolarHBondContact O-N 2.82Å; D313-C319 VanDerWaalsContact CB-SG 3.59Å; L317-C319 PolarHBondContact O-SG 3.23Å; C319-G334 WeakPolarHBondContact CA-O 3.29Å
320F84.7Confident83.3Confident5 Ų553.9 Ų53.92%0.02232%0.317CS..EExtended strand (participates in β ladder)trans-127.6141.7170.9-86.1-90.8000110.7F307 L308 Y309 W333 G334 L339 A342 K343 A346F307-F320 HydrophobicContact CB-CD1 3.9Å; F307-F320 HydrophobicContact CB-CE1 4.2Å; F307-F320 HydrophobicContact CD1-CB 4.21Å; F307-F320 HydrophobicContact CD1-CD1 4.07Å; F307-F320 HydrophobicContact CD1-CG 4.32Å; F307-F320 HydrophobicContact CG-CD1 4.43Å; L308-F320 CarbonylContact O-C 3.54Å; L308-F320 WeakPolarHBondContact O-CA 3.46Å; Y309-F320 HydrophobicContact CD2-CD2 4.12Å; Y309-F320 HydrophobicContact CD2-CE1 4.21Å; Y309-F320 AromaticContact CD2-CE2 3.7Å; Y309-F320 HydrophobicContact CD2-CE2 3.7Å; Y309-F320 AromaticContact CD2-CZ 3.72Å; Y309-F320 HydrophobicContact CD2-CZ 3.72Å; Y309-F320 HydrophobicContact CE2-CE2 4.4Å; Y309-F320 HydrophobicContact CG-CE1 4.42Å; Y309-F320 HydrophobicContact CG-CZ 4.22Å; F320-W333 CarbonylContact O-C 3.59Å; F320-W333 WeakPolarHBondContact O-CA 3.37Å; F320-G334 PolarHBondContact N-O 3.38Å; F320-G334 PolarHBondContact O-N 3.01Å; F320-L339 HydrophobicContact CE2-CB 4.31Å; F320-L339 HydrophobicContact CE2-CD2 3.63Å; F320-L339 HydrophobicContact CZ-CD2 4.12Å; F320-A342 HydrophobicContact CD2-CB 3.91Å; F320-K343 HydrophobicContact CD1-CG 4.32Å; F320-K343 HydrophobicContact CD2-CG 3.79Å; F320-K343 HydrophobicContact CE1-CG 4.34Å; F320-K343 HydrophobicContact CE2-CD 4.38Å; F320-K343 HydrophobicContact CE2-CG 3.79Å; F320-K343 HydrophobicContact CG-CG 4.06Å; F320-K343 HydrophobicContact CZ-CD 4.31Å; F320-K343 HydrophobicContact CZ-CG 4.09Å; F320-A346 HydrophobicContact CB-CB 4.46Å
321F87.6Confident83.8Confident82 Ų8255.8 Ų55.836%0.3632%0.324SS..EExtended strand (participates in β ladder)trans-88.6143.5154-66.1-67.1000109.1F307 L308 A310 V331 V332 W333F307-F321 CarbonylContact C-O 3.06Å; F307-F321 WeakPolarHBondContact CA-O 3.35Å; L308-F321 HydrophobicContact CB-CB 4.17Å; L308-F321 PolarHBondContact N-O 2.8Å; L308-F321 PolarHBondContact O-N 3.38Å; A310-F321 HydrophobicContact CB-CD2 3.63Å; A310-F321 HydrophobicContact CB-CE2 3.55Å; A310-F321 HydrophobicContact CB-CZ 4.39Å; F321-V331 HydrophobicContact CB-CG1 3.97Å; F321-V331 HydrophobicContact CD1-CG1 3.84Å; F321-V331 HydrophobicContact CG-CG1 4.22Å; F321-V332 CarbonylContact C-O 3.6Å; F321-V332 WeakPolarHBondContact CA-O 3.46Å; F321-W333 HydrophobicContact CD1-CB 3.72Å; F321-W333 HydrophobicContact CE1-CB 3.88Å
322L88.2Confident84.3Confident0 Ų055.8 Ų55.80%032%0.32CS..EExtended strand (participates in β ladder)trans-124.6109.2173171.364.5000107.3L294 Y305 E306 F307 L324 V331 V332 A346 A350L294-L322 HydrophobicContact CD2-CD1 4.49Å; L294-L322 HydrophobicContact CD2-CD2 3.76Å; Y305-L322 HydrophobicContact CD2-CD1 3.57Å; Y305-L322 HydrophobicContact CG-CD1 4.09Å; E306-L322 WeakPolarHBondContact O-CA 3.48Å; F307-L322 HydrophobicContact CD1-CB 4.12Å; F307-L322 HydrophobicContact CD1-CD1 3.99Å; F307-L322 HydrophobicContact CD2-CD1 4.01Å; F307-L322 HydrophobicContact CE1-CB 3.96Å; F307-L322 HydrophobicContact CE1-CD1 3.81Å; F307-L322 HydrophobicContact CE1-CD2 4.07Å; F307-L322 HydrophobicContact CE1-CG 4.17Å; F307-L322 HydrophobicContact CE2-CD1 3.83Å; F307-L322 HydrophobicContact CG-CD1 4.08Å; F307-L322 HydrophobicContact CZ-CD1 3.72Å; F307-L322 HydrophobicContact CZ-CD2 4Å; F307-L322 HydrophobicContact CZ-CG 4.33Å; L322-L324 HydrophobicContact CD2-CD2 4.4Å; L322-L324 HydrophobicContact CG-CD2 4.27Å; L322-V331 WeakPolarHBondContact O-CA 3.25Å; L322-V332 HydrophobicContact CB-CG2 3.77Å; L322-V332 HydrophobicContact CD2-CG2 3.98Å; L322-V332 HydrophobicContact CG-CG2 4.11Å; L322-V332 PolarHBondContact N-O 3.43Å; L322-V332 PolarHBondContact O-N 3.14Å; L322-A346 HydrophobicContact CB-CB 4.04Å; L322-A350 HydrophobicContact CD2-CB 3.72Å
323Q89.3Confident84.8Confident74 Ų7456.6 Ų56.635%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-87.7125.5175.5-177.8-179.9-4300109.1Y305 E306 V329 A330 V331Y305-Q323 CarbonylContact C-O 3.47Å; Y305-Q323 WeakPolarHBondContact CA-O 3.38Å; Y305-Q323 WeakPolarHBondContact CB-O 3.34Å; E306-Q323 PolarHBondContact N-O 2.89Å; E306-Q323 PolarHBondContact O-N 2.82Å; Q323-V329 HydrophobicContact CG-CG1 4.32Å; Q323-A330 CarbonylContact C-O 3.59Å; Q323-A330 WeakPolarHBondContact CA-O 3.46Å; Q323-V331 HydrophobicContact CB-CG2 4.26Å; Q323-V331 HydrophobicContact CG-CG2 4.18Å
324L84.2Confident85.2Confident0 Ų054.7 Ų54.70%031%0.309CS..EExtended strand (participates in β ladder)trans-102.4125.8173.4-56.4171.4000108.2W303 L322 T326 A330 A350 Y353W303-L324 HydrophobicContact CE3-CD2 4.47Å; W303-L324 HydrophobicContact CH2-CD2 4.3Å; W303-L324 HydrophobicContact CZ3-CD2 3.82Å; L322-L324 HydrophobicContact CD2-CD2 4.4Å; L322-L324 HydrophobicContact CG-CD2 4.27Å; L324-T326 HydrophobicContact CB-CG2 4.25Å; L324-T326 PolarHBondContact O-N 3.21Å; L324-T326 VanDerWaalsContact O-N 3.07Å; L324-A330 HydrophobicContact CB-CB 4.49Å; L324-A330 HydrophobicContact CD1-CB 4.37Å; L324-A330 PolarHBondContact N-O 3.18Å; L324-A330 PolarHBondContact O-N 2.8Å; L324-A350 HydrophobicContact CD1-CB 3.92Å; L324-A350 HydrophobicContact CD2-CB 4.14Å; L324-A350 HydrophobicContact CG-CB 4.48Å; L324-Y353 HydrophobicContact CD1-CD1 3.76Å; L324-Y353 HydrophobicContact CD1-CE1 4.26Å
325S85.1Confident85.7Confident52 Ų5252.4 Ų52.436%0.36430%0.296SS..  trans-80.828175.862.10000113.4D304D304-S325 VanDerWaalsContact C-OG 3.27Å; D304-S325 WeakPolarHBondContact CA-OG 3.43Å; D304-S325 PolarHBondContact N-OG 3.08Å; D304-S325 WeakPolarHBondContact O-CB 3.45Å; D304-S325 PolarHBondContact O-N 3.15Å; D304-S325 PolarHBondContact O-OG 3.33Å
326T82.4Confident86.1Confident16 Ų1646.5 Ų46.510%0.09827%0.265CS..SBendtrans-70.1173.7174.1510000111.2W303 L324 P328 V329 L354W303-T326 HydrophobicContact CB-CG2 4.24Å; W303-T326 HydrophobicContact CD2-CG2 3.82Å; W303-T326 HydrophobicContact CE3-CG2 4.45Å; W303-T326 HydrophobicContact CG-CG2 3.7Å; L324-T326 HydrophobicContact CB-CG2 4.25Å; L324-T326 PolarHBondContact O-N 3.21Å; L324-T326 VanDerWaalsContact O-N 3.07Å; T326-P328 CarbonylContact C-O 3.58Å; T326-P328 CarbonylContact O-C 3.29Å; T326-P328 PolarHBondContact OG1-O 2.96Å; T326-V329 WeakPolarHBondContact O-CA 3.37Å; T326-V329 WeakPolarHBondContact O-CG2 3.4Å; T326-V329 PolarHBondContact O-N 3.32Å; T326-L354 HydrophobicContact CG2-CD2 4.17Å
327V76.4Confident86.4Confident147 Ų14748.4 Ų48.489%0.89128%0.278SS*.SBendtrans-118.1111.6174.4-175.80000109
328P80.7Confident86.4Confident89 Ų8947.8 Ų47.858%0.57828%0.278SS*.SBendcis-72152.7-0.531.4-34000112.5T326 A330 Y353T326-P328 CarbonylContact C-O 3.58Å; T326-P328 CarbonylContact O-C 3.29Å; T326-P328 PolarHBondContact OG1-O 2.96Å; P328-A330 PolarHBondContact O-N 3.04Å; P328-Y353 PolarHBondContact O-OH 2.99Å; P328-Y353 VanDerWaalsContact O-OH 3.06Å
329V83.3Confident86.3Confident95 Ų9549.5 Ų49.558%0.57629%0.288SS*.  trans-59.5134.1174.6173.20000108.3Q323 T326Q323-V329 HydrophobicContact CG-CG1 4.32Å; T326-V329 WeakPolarHBondContact O-CA 3.37Å; T326-V329 WeakPolarHBondContact O-CG2 3.4Å; T326-V329 PolarHBondContact O-N 3.32Å
330A84.2Confident86Confident10 Ų1054 Ų548%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-126.6142.9-178.500000111.1Q323 L324 P328 Y353Q323-A330 CarbonylContact C-O 3.59Å; Q323-A330 WeakPolarHBondContact CA-O 3.46Å; L324-A330 HydrophobicContact CB-CB 4.49Å; L324-A330 HydrophobicContact CD1-CB 4.37Å; L324-A330 PolarHBondContact N-O 3.18Å; L324-A330 PolarHBondContact O-N 2.8Å; P328-A330 PolarHBondContact O-N 3.04Å; A330-Y353 HydrophobicContact CB-CD1 3.9Å; A330-Y353 HydrophobicContact CB-CD2 4.23Å; A330-Y353 HydrophobicContact CB-CE1 3.4Å; A330-Y353 HydrophobicContact CB-CE2 3.78Å; A330-Y353 HydrophobicContact CB-CG 4.28Å
331V91Very high86.1Confident88 Ų8856 Ų5653%0.53332%0.321SS..EExtended strand (participates in β ladder)trans-117.8119.5168.6-179.40000107F321 L322 Q323F321-V331 HydrophobicContact CB-CG1 3.97Å; F321-V331 HydrophobicContact CD1-CG1 3.84Å; F321-V331 HydrophobicContact CG-CG1 4.22Å; L322-V331 WeakPolarHBondContact O-CA 3.25Å; Q323-V331 HydrophobicContact CB-CG2 4.26Å; Q323-V331 HydrophobicContact CG-CG2 4.18Å
332V93Very high86Confident19 Ų1952.1 Ų52.112%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-106.6164.7169.3-59.90000108.9F321 L322 A346 N349 A350F321-V332 CarbonylContact C-O 3.6Å; F321-V332 WeakPolarHBondContact CA-O 3.46Å; L322-V332 HydrophobicContact CB-CG2 3.77Å; L322-V332 HydrophobicContact CD2-CG2 3.98Å; L322-V332 HydrophobicContact CG-CG2 4.11Å; L322-V332 PolarHBondContact N-O 3.43Å; L322-V332 PolarHBondContact O-N 3.14Å; V332-A346 WeakPolarHBondContact CG2-O 3.5Å; V332-N349 HydrophobicContact CB-CB 4.21Å; V332-N349 HydrophobicContact CG2-CB 4.48Å; V332-A350 HydrophobicContact CG2-CB 3.92Å
333W92.6Very high85.9Confident142 Ų14253.6 Ų53.654%0.53831%0.31SS..EExtended strand (participates in β ladder)trans-131.1159.5176.473.6-78.4000110.2F320 F321 N349F320-W333 CarbonylContact O-C 3.59Å; F320-W333 WeakPolarHBondContact O-CA 3.37Å; F321-W333 HydrophobicContact CD1-CB 3.72Å; F321-W333 HydrophobicContact CE1-CB 3.88Å; W333-N349 PolarHBondContact O-ND2 3.21Å
334G88.7Confident85.8Confident0 Ų051.1 Ų51.10%030%0.298CS..EExtended strand (participates in β ladder)trans-147.5141.2173.400000110.7C319 F320C319-G334 WeakPolarHBondContact CA-O 3.29Å; F320-G334 PolarHBondContact N-O 3.38Å; F320-G334 PolarHBondContact O-N 3.01Å
335S89.4Confident86.1Confident20 Ų2055 Ų5514%0.1431%0.313CS..EExtended strand (participates in β ladder)trans-117.9151.8172.559.20000111.9E318 R345E318-S335 CarbonylContact O-C 3.47Å; E318-S335 WeakPolarHBondContact O-CA 3.5Å; S335-R345 WeakPolarHBondContact O-CD 3.47Å
336G87.9Confident86.4Confident3 Ų352.5 Ų52.53%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-163.5164.4179.400000113L317 E318 S338L317-G336 CarbonylContact C-O 3.58Å; L317-G336 WeakPolarHBondContact CA-O 3.32Å; L317-G336 WeakPolarHBondContact CB-O 3.48Å; E318-G336 PolarHBondContact N-O 3.2Å; E318-G336 PolarHBondContact O-N 3.48Å; G336-S338 PolarHBondContact O-N 3.17Å
337A88.6Confident86.7Confident79 Ų7951.7 Ų51.765%0.65329%0.291SS*.SBendtrans-70.5-13.617900000112.7L317 E341L317-A337 HydrophobicContact CD2-CB 4.25Å; A337-E341 WeakPolarHBondContact CB-OE2 3.31Å; A337-E341 PolarHBondContact N-OE2 3.09Å
338S85.8Confident87.4Confident43 Ų4345.6 Ų45.630%0.30125%0.252SS..SBendtrans-136.9159.6175.659.80000110.7G336 D340 E341 A342G336-S338 PolarHBondContact O-N 3.17Å; S338-D340 VanDerWaalsContact C-N 3.25Å; S338-D340 PolarHBondContact O-N 3.24Å; S338-E341 PolarHBondContact O-N 2.97Å; S338-E341 WeakPolarHBondContact OG-CB 3.41Å; S338-E341 PolarHBondContact OG-N 3.1Å; S338-A342 PolarHBondContact O-N 3.46Å
339L83Confident87.9Confident63 Ų6343.7 Ų43.733%0.3324%0.236SC..Hα-helixtrans-56.5-41.4176.6-68.5168.8000111.5Y309 E318 F320 A342 K343Y309-L339 HydrophobicContact CD2-CD2 3.92Å; Y309-L339 HydrophobicContact CE2-CD2 3.54Å; E318-L339 HydrophobicContact CB-CD2 4.08Å; E318-L339 HydrophobicContact CG-CD2 4.03Å; E318-L339 HydrophobicContact CG-CG 4.17Å; F320-L339 HydrophobicContact CE2-CB 4.31Å; F320-L339 HydrophobicContact CE2-CD2 3.63Å; F320-L339 HydrophobicContact CZ-CD2 4.12Å; L339-A342 PolarHBondContact O-N 3.01Å; L339-K343 WeakPolarHBondContact O-CG 3.4Å; L339-K343 PolarHBondContact O-N 2.94Å
340D80.9Confident88.3Confident108 Ų10839.1 Ų39.158%0.57821%0.209SC*.Hα-helixtrans-62.6-46.4177.7-70.2-27.7000111.6S338 A342 K343 E344S338-D340 VanDerWaalsContact C-N 3.25Å; S338-D340 PolarHBondContact O-N 3.24Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 3.01Å; D340-K343 PolarHBondContact O-N 3.1Å; D340-E344 WeakPolarHBondContact O-CB 3.43Å; D340-E344 PolarHBondContact O-N 3.13Å
341E86Confident88.5Confident47 Ų4738.7 Ų38.722%0.2221%0.205CC..Hα-helixtrans-63.8-38.8177.6-170.7178.1-168.900111.9A337 S338 E344 R345A337-E341 WeakPolarHBondContact CB-OE2 3.31Å; A337-E341 PolarHBondContact N-OE2 3.09Å; S338-E341 PolarHBondContact O-N 2.97Å; S338-E341 WeakPolarHBondContact OG-CB 3.41Å; S338-E341 PolarHBondContact OG-N 3.1Å; E341-E344 PolarHBondContact O-N 3.32Å; E341-R345 VanDerWaalsContact O-CB 3.28Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 PolarHBondContact O-N 3.4Å
342A86.3Confident88.3Confident0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-64.1-44.8176.700000111.9E318 F320 S338 L339 D340 R345 A346E318-A342 HydrophobicContact CB-CB 4.02Å; E318-A342 WeakPolarHBondContact O-CB 3.39Å; F320-A342 HydrophobicContact CD2-CB 3.91Å; S338-A342 PolarHBondContact O-N 3.46Å; L339-A342 PolarHBondContact O-N 3.01Å; D340-A342 VanDerWaalsContact C-N 3.32Å; D340-A342 PolarHBondContact O-N 3.01Å; A342-R345 PolarHBondContact O-N 3.48Å; A342-A346 WeakPolarHBondContact O-CB 3.49Å; A342-A346 PolarHBondContact O-N 2.75Å
343K85.3Confident88.1Confident30 Ų3036.8 Ų36.813%0.1319%0.189CC..Hα-helixtrans-61.8-45.2174.1-76.4-179.5175.4174.50111.7E249 L291 F307 F320 L339 D340 R345 A346 A347E249-K343 IonicContact OE1-NZ 3.04Å; E249-K343 PolarHBondContact OE1-NZ 3.3Å; E249-K343 IonicContact OE2-NZ 3.96Å; E249-K343 PolarHBondContact OE2-NZ 2.77Å; L291-K343 HydrophobicContact CD1-CB 4.26Å; L291-K343 HydrophobicContact CD2-CB 4.36Å; F307-K343 HydrophobicContact CD1-CG 4.07Å; F307-K343 HydrophobicContact CE1-CB 4.08Å; F307-K343 HydrophobicContact CE1-CG 4.14Å; F307-K343 HydrophobicContact CZ-CB 4.38Å; F320-K343 HydrophobicContact CD1-CG 4.32Å; F320-K343 HydrophobicContact CD2-CG 3.79Å; F320-K343 HydrophobicContact CE1-CG 4.34Å; F320-K343 HydrophobicContact CE2-CD 4.38Å; F320-K343 HydrophobicContact CE2-CG 3.79Å; F320-K343 HydrophobicContact CG-CG 4.06Å; F320-K343 HydrophobicContact CZ-CD 4.31Å; F320-K343 HydrophobicContact CZ-CG 4.09Å; L339-K343 WeakPolarHBondContact O-CG 3.4Å; L339-K343 PolarHBondContact O-N 2.94Å; D340-K343 PolarHBondContact O-N 3.1Å; K343-R345 VanDerWaalsContact C-N 3.29Å; K343-R345 PolarHBondContact O-N 3.39Å; K343-A346 PolarHBondContact O-N 3.26Å; K343-A347 WeakPolarHBondContact O-CB 3.45Å; K343-A347 PolarHBondContact O-N 3.14Å
344E87.4Confident87.7Confident22 Ų2230.4 Ų30.410%0.10317%0.165CC..Hα-helixtrans-64.2-35.3179.4-168176.7-173.300112F285 R287 G288 H290 D340 E341 W348F285-E344 HydrophobicContact CE2-CG 4.31Å; F285-E344 HydrophobicContact CZ-CG 4.23Å; R287-E344 WeakPolarHBondContact CG-OE1 3.44Å; R287-E344 WeakPolarHBondContact CG-OE2 3.42Å; R287-E344 IonicContact CZ-OE2 3.73Å; R287-E344 IonicContact NE-OE2 2.84Å; R287-E344 PolarHBondContact NE-OE2 2.9Å; R287-E344 IonicContact NH2-OE2 3.89Å; G288-E344 PolarHBondContact N-OE1 3.38Å; H290-E344 PolarHBondContact ND1-O 2.83Å; D340-E344 WeakPolarHBondContact O-CB 3.43Å; D340-E344 PolarHBondContact O-N 3.13Å; E341-E344 PolarHBondContact O-N 3.32Å; E344-W348 PolarHBondContact O-N 3.33Å
345R90.5Very high87.4Confident81 Ų8131 Ų3131%0.30617%0.169SC..Hα-helixtrans-74.9-36.6175-161.1164.2-159.3104.12.8112.9F285 S335 E341 A342 K343 A347 W348 N349F285-R345 HydrophobicContact CD2-CB 4.4Å; F285-R345 HydrophobicContact CD2-CG 4.06Å; F285-R345 HydrophobicContact CE2-CB 4.03Å; F285-R345 HydrophobicContact CE2-CG 4.2Å; S335-R345 WeakPolarHBondContact O-CD 3.47Å; E341-R345 VanDerWaalsContact O-CB 3.28Å; E341-R345 WeakPolarHBondContact O-CB 3.4Å; E341-R345 PolarHBondContact O-N 3.4Å; A342-R345 PolarHBondContact O-N 3.48Å; K343-R345 VanDerWaalsContact C-N 3.29Å; K343-R345 PolarHBondContact O-N 3.39Å; R345-A347 VanDerWaalsContact C-N 3.32Å; R345-W348 PolarHBondContact O-N 2.82Å; R345-N349 PolarHBondContact O-N 3.32Å; R345-N349 PolarHBondContact O-ND2 3.4Å
346A90.6Very high86.9Confident0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-63.2-41.3171.400000110.7F307 F320 L322 V332 A342 K343 N349 A350F307-A346 HydrophobicContact CE1-CB 3.89Å; F320-A346 HydrophobicContact CB-CB 4.46Å; L322-A346 HydrophobicContact CB-CB 4.04Å; V332-A346 WeakPolarHBondContact CG2-O 3.5Å; A342-A346 WeakPolarHBondContact O-CB 3.49Å; A342-A346 PolarHBondContact O-N 2.75Å; K343-A346 PolarHBondContact O-N 3.26Å; A346-N349 PolarHBondContact O-N 3.19Å; A346-A350 PolarHBondContact O-N 2.97Å
347A89.3Confident86.5Confident0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-61.8-46.3172.700000112H290 L291 L294 K343 R345 N349 A350 F351H290-A347 HydrophobicContact CB-CB 3.83Å; L291-A347 HydrophobicContact CD2-CB 4.06Å; L291-A347 HydrophobicContact CG-CB 4.3Å; L294-A347 HydrophobicContact CD2-CB 4.21Å; K343-A347 WeakPolarHBondContact O-CB 3.45Å; K343-A347 PolarHBondContact O-N 3.14Å; R345-A347 VanDerWaalsContact C-N 3.32Å; A347-N349 VanDerWaalsContact C-N 3.31Å; A347-N349 PolarHBondContact O-N 2.89Å; A347-A350 WeakPolarHBondContact O-CA 3.46Å; A347-A350 VanDerWaalsContact O-CB 3.32Å; A347-A350 WeakPolarHBondContact O-CB 3.44Å; A347-A350 PolarHBondContact O-N 2.96Å; A347-F351 WeakPolarHBondContact O-CD2 3.09Å; A347-F351 PolarHBondContact O-N 3.29Å; A347-F351 VanDerWaalsContact O-N 3.08Å
348W90.7Very high85.8Confident19 Ų1935.4 Ų35.47%0.07218%0.178CC..Hα-helixtrans-54.1-46.5173.3179.1-94.5000112.4F279 R283 F285 H290 E344 R345 A350 F351 C352F279-W348 HydrophobicContact CD2-CH2 4.33Å; F279-W348 HydrophobicContact CD2-CZ3 4.45Å; F279-W348 HydrophobicContact CE2-CD2 4.3Å; F279-W348 AromaticContact CE2-CE3 3.95Å; F279-W348 HydrophobicContact CE2-CE3 3.95Å; F279-W348 AromaticContact CE2-CH2 3.56Å; F279-W348 HydrophobicContact CE2-CH2 3.56Å; F279-W348 AromaticContact CE2-CZ2 3.84Å; F279-W348 HydrophobicContact CE2-CZ2 3.84Å; F279-W348 AromaticContact CE2-CZ3 3.62Å; F279-W348 HydrophobicContact CE2-CZ3 3.62Å; F279-W348 HydrophobicContact CZ-CD2 4.41Å; F279-W348 HydrophobicContact CZ-CE3 4.49Å; F279-W348 HydrophobicContact CZ-CH2 4.27Å; F279-W348 HydrophobicContact CZ-CZ2 4.08Å; F279-W348 HydrophobicContact CZ-CZ3 4.47Å; R283-W348 HydrophobicContact CB-CZ2 4.33Å; F285-W348 HydrophobicContact CD2-CB 3.85Å; F285-W348 HydrophobicContact CD2-CD2 4.31Å; F285-W348 AromaticContact CD2-CG 3.87Å; F285-W348 HydrophobicContact CD2-CG 3.87Å; F285-W348 HydrophobicContact CE2-CB 4.2Å; H290-W348 AromaticContact CD2-CE3 3.72Å; H290-W348 AromaticContact CE1-CE3 3.34Å; H290-W348 AromaticContact CE1-CZ3 3.93Å; H290-W348 AromaticContact NE2-CE3 3.12Å; H290-W348 AromaticContact NE2-CZ3 3.38Å; H290-W348 WeakPolarHBondContact NE2-CZ3 3.12Å; E344-W348 PolarHBondContact O-N 3.33Å; R345-W348 PolarHBondContact O-N 2.82Å; W348-A350 VanDerWaalsContact C-N 3.27Å; W348-A350 PolarHBondContact O-N 3.09Å; W348-F351 WeakPolarHBondContact O-CB 3.49Å; W348-F351 PolarHBondContact O-N 3.19Å; W348-C352 PolarHBondContact O-N 3.04Å; W348-C352 VanDerWaalsContact O-N 3.07Å
349N91.6Very high84.9Confident48 Ų4841 Ų4126%0.25720%0.197SC..Hα-helixtrans-66.4-30178.7-70.8-18.4000112.3V332 W333 R345 A346 A347 C352 Y353V332-N349 HydrophobicContact CB-CB 4.21Å; V332-N349 HydrophobicContact CG2-CB 4.48Å; W333-N349 PolarHBondContact O-ND2 3.21Å; R345-N349 PolarHBondContact O-N 3.32Å; R345-N349 PolarHBondContact O-ND2 3.4Å; A346-N349 PolarHBondContact O-N 3.19Å; A347-N349 VanDerWaalsContact C-N 3.31Å; A347-N349 PolarHBondContact O-N 2.89Å; N349-C352 WeakPolarHBondContact O-CB 3.34Å; N349-C352 PolarHBondContact O-N 2.72Å; N349-Y353 PolarHBondContact O-N 2.78Å
350A91.4Very high83.7Confident0 Ų045.6 Ų45.60%022%0.217CC..Hα-helixtrans-64.1-40.5169.500000111.8L294 L322 L324 V332 A346 A347 W348 C352 Y353 L354L294-A350 HydrophobicContact CD1-CB 3.88Å; L322-A350 HydrophobicContact CD2-CB 3.72Å; L324-A350 HydrophobicContact CD1-CB 3.92Å; L324-A350 HydrophobicContact CD2-CB 4.14Å; L324-A350 HydrophobicContact CG-CB 4.48Å; V332-A350 HydrophobicContact CG2-CB 3.92Å; A346-A350 PolarHBondContact O-N 2.97Å; A347-A350 WeakPolarHBondContact O-CA 3.46Å; A347-A350 VanDerWaalsContact O-CB 3.32Å; A347-A350 WeakPolarHBondContact O-CB 3.44Å; A347-A350 PolarHBondContact O-N 2.96Å; W348-A350 VanDerWaalsContact C-N 3.27Å; W348-A350 PolarHBondContact O-N 3.09Å; A350-C352 VanDerWaalsContact C-N 3.34Å; A350-C352 PolarHBondContact O-N 3.19Å; A350-Y353 WeakPolarHBondContact O-CB 3.45Å; A350-Y353 PolarHBondContact O-N 3.44Å; A350-L354 WeakPolarHBondContact O-CG 3.31Å; A350-L354 PolarHBondContact O-N 2.93Å
351F88.8Confident82.3Confident0 Ų048.2 Ų48.20%023%0.225CC..Hα-helixtrans-62.2-40.5173.6-71.2-78.1000112.6F275 F276 F279 H290 M293 L294 I297 A347 W348 Y353 L354 S355F275-F351 HydrophobicContact CD1-CD1 4.48Å; F275-F351 HydrophobicContact CE1-CB 4.47Å; F275-F351 AromaticContact CE1-CD1 3.76Å; F275-F351 HydrophobicContact CE1-CD1 3.76Å; F275-F351 HydrophobicContact CE1-CE1 4.13Å; F275-F351 HydrophobicContact CE1-CG 4.16Å; F276-F351 HydrophobicContact CE1-CD1 4.46Å; F276-F351 HydrophobicContact CZ-CD1 4.23Å; F279-F351 HydrophobicContact CE1-CB 4.29Å; F279-F351 HydrophobicContact CE2-CB 4.12Å; F279-F351 HydrophobicContact CZ-CB 3.8Å; H290-F351 HydrophobicContact CB-CD2 4.37Å; H290-F351 HydrophobicContact CB-CE2 3.8Å; H290-F351 VanDerWaalsContact O-CE2 3.28Å; H290-F351 WeakPolarHBondContact O-CE2 3.22Å; H290-F351 WeakPolarHBondContact O-CZ 3.19Å; M293-F351 HydrophobicContact CB-CE1 4.36Å; M293-F351 HydrophobicContact CB-CZ 3.72Å; M293-F351 HydrophobicContact CE-CE1 4.49Å; M293-F351 HydrophobicContact CG-CE1 3.8Å; M293-F351 HydrophobicContact CG-CZ 3.68Å; M293-F351 HydrophobicContact SD-CE1 4.13Å; M293-F351 HydrophobicContact SD-CZ 4.26Å; L294-F351 HydrophobicContact CB-CE2 4.12Å; L294-F351 HydrophobicContact CB-CZ 3.99Å; L294-F351 HydrophobicContact CD1-CE2 4.44Å; L294-F351 HydrophobicContact CD1-CZ 4.46Å; I297-F351 HydrophobicContact CD1-CD1 4.07Å; I297-F351 HydrophobicContact CD1-CE1 3.35Å; I297-F351 HydrophobicContact CD1-CZ 4.24Å; A347-F351 WeakPolarHBondContact O-CD2 3.09Å; A347-F351 PolarHBondContact O-N 3.29Å; A347-F351 VanDerWaalsContact O-N 3.08Å; W348-F351 WeakPolarHBondContact O-CB 3.49Å; W348-F351 PolarHBondContact O-N 3.19Å; F351-Y353 VanDerWaalsContact C-N 3.32Å; F351-Y353 PolarHBondContact O-N 3.46Å; F351-L354 PolarHBondContact O-N 3.49Å; F351-S355 VanDerWaalsContact O-CB 3.25Å; F351-S355 WeakPolarHBondContact O-CB 3.05Å; F351-S355 PolarHBondContact O-N 3.42Å
352C86.6Confident80.2Confident15 Ų1557.1 Ų57.110%0.10127%0.266CS..Hα-helixtrans-57.2-46.6173.2-65.70000111.4I281 W348 N349 A350 I356I281-C352 HydrophobicContact CD1-CB 3.97Å; I281-C352 HydrophobicContact CG1-CB 4.07Å; W348-C352 PolarHBondContact O-N 3.04Å; W348-C352 VanDerWaalsContact O-N 3.07Å; N349-C352 WeakPolarHBondContact O-CB 3.34Å; N349-C352 PolarHBondContact O-N 2.72Å; A350-C352 VanDerWaalsContact C-N 3.34Å; A350-C352 PolarHBondContact O-N 3.19Å; C352-I356 WeakPolarHBondContact O-CG1 3.35Å; C352-I356 PolarHBondContact O-N 3.22Å; C352-I356 VanDerWaalsContact O-N 3.15Å
353Y87.9Confident79.8Confident53 Ų5360 Ų6021%0.20828%0.28CS..Hα-helixtrans-60.8-52.6176172.5-100.9000112.1L324 P328 A330 N349 A350 F351 S355 I356 C357L324-Y353 HydrophobicContact CD1-CD1 3.76Å; L324-Y353 HydrophobicContact CD1-CE1 4.26Å; P328-Y353 PolarHBondContact O-OH 2.99Å; P328-Y353 VanDerWaalsContact O-OH 3.06Å; A330-Y353 HydrophobicContact CB-CD1 3.9Å; A330-Y353 HydrophobicContact CB-CD2 4.23Å; A330-Y353 HydrophobicContact CB-CE1 3.4Å; A330-Y353 HydrophobicContact CB-CE2 3.78Å; A330-Y353 HydrophobicContact CB-CG 4.28Å; N349-Y353 PolarHBondContact O-N 2.78Å; A350-Y353 WeakPolarHBondContact O-CB 3.45Å; A350-Y353 PolarHBondContact O-N 3.44Å; F351-Y353 VanDerWaalsContact C-N 3.32Å; F351-Y353 PolarHBondContact O-N 3.46Å; Y353-S355 VanDerWaalsContact C-N 3.3Å; Y353-S355 PolarHBondContact O-N 3.22Å; Y353-I356 PolarHBondContact O-N 3.12Å; Y353-C357 PolarHBondContact O-N 3.12Å; Y353-C357 PolarHBondContact O-SG 3.28Å; Y353-C357 VanDerWaalsContact O-SG 3.39Å
354L85.7Confident79.6Confident8 Ų861.5 Ų61.54%0.04229%0.288CS..Hα-helixtrans-60.8-38.9-178.9-68.6171.9000112.1F276 L294 W303 T326 A350 F351 C357 K358F276-L354 HydrophobicContact CE1-CB 4.1Å; F276-L354 HydrophobicContact CZ-CB 4.13Å; L294-L354 HydrophobicContact CD1-CD1 4.44Å; W303-L354 HydrophobicContact CH2-CD1 4.06Å; W303-L354 HydrophobicContact CZ2-CD1 3.75Å; W303-L354 HydrophobicContact CZ2-CD2 4.38Å; T326-L354 HydrophobicContact CG2-CD2 4.17Å; A350-L354 WeakPolarHBondContact O-CG 3.31Å; A350-L354 PolarHBondContact O-N 2.93Å; F351-L354 PolarHBondContact O-N 3.49Å; L354-C357 PolarHBondContact O-N 2.82Å; L354-K358 PolarHBondContact O-N 3.42Å
355S82.7Confident79.1Confident12 Ų1263.7 Ų63.78%0.08430%0.298CS..Hα-helixtrans-63.1-44.3176.6-175.40000111.5F351 Y353 C357 K358 F359F351-S355 VanDerWaalsContact O-CB 3.25Å; F351-S355 WeakPolarHBondContact O-CB 3.05Å; F351-S355 PolarHBondContact O-N 3.42Å; Y353-S355 VanDerWaalsContact C-N 3.3Å; Y353-S355 PolarHBondContact O-N 3.22Å; S355-C357 PolarHBondContact O-N 3.42Å; S355-K358 PolarHBondContact O-N 3.3Å; S355-F359 WeakPolarHBondContact O-CB 3.47Å; S355-F359 PolarHBondContact O-N 3.42Å
356I78.5Confident78.5Confident80 Ų8062.7 Ų62.741%0.4130%0.297SS..Hα-helixtrans-59.6-47.6174.5-66.7161.7000110.7I281 C352 Y353 K358 F359 H360I281-I356 HydrophobicContact CD1-CD1 3.39Å; I281-I356 HydrophobicContact CD1-CG1 3.67Å; C352-I356 WeakPolarHBondContact O-CG1 3.35Å; C352-I356 PolarHBondContact O-N 3.22Å; C352-I356 VanDerWaalsContact O-N 3.15Å; Y353-I356 PolarHBondContact O-N 3.12Å; I356-K358 VanDerWaalsContact C-N 3.34Å; I356-K358 PolarHBondContact O-N 3.42Å; I356-F359 PolarHBondContact O-N 3.48Å; I356-H360 PolarHBondContact O-N 3.28Å
357C78.9Confident77.7Confident41 Ų4166.6 Ų66.628%0.27732%0.316SS..Hα-helixtrans-59.8-43.4-179.5-69.60000112Y353 L354 S355 H360 Q361Y353-C357 PolarHBondContact O-N 3.12Å; Y353-C357 PolarHBondContact O-SG 3.28Å; Y353-C357 VanDerWaalsContact O-SG 3.39Å; L354-C357 PolarHBondContact O-N 2.82Å; S355-C357 PolarHBondContact O-N 3.42Å; C357-H360 PolarHBondContact O-N 3.42Å; C357-Q361 PolarHBondContact O-N 3.44Å
358K74.7Confident76.9Confident73 Ų7371.1 Ų71.132%0.31734%0.337SS..Hα-helixtrans-66.5-38.2176.5-75.3-170.7176.6-1750112.5E301 L354 S355 I356 H360 Q361E301-K358 WeakPolarHBondContact OE1-CE 3.27Å; E301-K358 IonicContact OE1-NZ 3.23Å; E301-K358 PolarHBondContact OE1-NZ 2.86Å; L354-K358 PolarHBondContact O-N 3.42Å; S355-K358 PolarHBondContact O-N 3.3Å; I356-K358 VanDerWaalsContact C-N 3.34Å; I356-K358 PolarHBondContact O-N 3.42Å; K358-H360 PolarHBondContact O-N 3.24Å; K358-Q361 PolarHBondContact O-N 3.37Å
359F66.6Low75.9Confident161 Ų16174.8 Ų74.871%0.70636%0.356SS*.Hα-helixtrans-65.8-26.5179.2-130.2-80.8000113.3S355 I356S355-F359 WeakPolarHBondContact O-CB 3.47Å; S355-F359 PolarHBondContact O-N 3.42Å; I356-F359 PolarHBondContact O-N 3.48Å
360H57.5Low74.7Confident159 Ų15976.8 Ų76.874%0.73636%0.364SS*.THydrogen-bonded Turntrans-92.8-1.7178.6-79.144.4000114I356 C357 K358I356-H360 PolarHBondContact O-N 3.28Å; C357-H360 PolarHBondContact O-N 3.42Å; K358-H360 PolarHBondContact O-N 3.24Å
361Q51.6Low73.3Confident164 Ų16483.3 Ų83.377%0.76639%0.394SS*.  trans-89.1-12.6174-78.9-177.5-7.300113.6C357 K358C357-Q361 PolarHBondContact O-N 3.44Å; K358-Q361 PolarHBondContact O-N 3.37Å
362H40.6Very low71.9Confident233 Ų23390.8 Ų90.8100%1.07943%0.43SS*.  trans-1030170-84-74.6000110.4

Retrieved 362 of 362 residues in 857 ms (Link to these results)

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