A0A3Q0KJA5_SCHMA Loading...

Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A3Q0KJA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 329 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
1M66.4Low92.9Very high180 Ų18066.1 Ų66.189%0.88735%0.35SS*.  0134.20-79.5176.5-94.100107.1Y3M1-Y3 HydrophobicContact CB-CE2 3.87Å
2E83.7Confident93.4Very high180 Ų18063.9 Ų63.984%0.84134%0.335SS*.  trans-93.5123.1179.1-170.2176.9-17900108.8
3Y90.7Very high93.8Very high77 Ų7759 Ų5930%0.30231%0.309SS..  trans-106.1134.6176.4-63.8-92.9000108.1M1 Y190 H197M1-Y3 HydrophobicContact CB-CE2 3.87Å; Y3-Y190 AromaticContact CD1-CD1 3.63Å; Y3-Y190 HydrophobicContact CD1-CD1 3.63Å; Y3-Y190 AromaticContact CD1-CD2 3.89Å; Y3-Y190 HydrophobicContact CD1-CD2 3.89Å; Y3-Y190 HydrophobicContact CD1-CE1 4.06Å; Y3-Y190 HydrophobicContact CD1-CE2 4.29Å; Y3-Y190 AromaticContact CD1-CG 3.54Å; Y3-Y190 HydrophobicContact CD1-CG 3.54Å; Y3-Y190 HydrophobicContact CD2-CD2 4.41Å; Y3-Y190 HydrophobicContact CD2-CE1 4.4Å; Y3-Y190 HydrophobicContact CD2-CE2 4.08Å; Y3-Y190 HydrophobicContact CE1-CD1 4.09Å; Y3-Y190 AromaticContact CE1-CD2 3.51Å; Y3-Y190 HydrophobicContact CE1-CD2 3.51Å; Y3-Y190 HydrophobicContact CE1-CE2 4.14Å; Y3-Y190 AromaticContact CE1-CG 3.49Å; Y3-Y190 HydrophobicContact CE1-CG 3.49Å; Y3-Y190 VanDerWaalsContact CE1-CG 3.49Å; Y3-Y190 HydrophobicContact CE2-CD2 4.06Å; Y3-Y190 AromaticContact CE2-CE2 3.89Å; Y3-Y190 HydrophobicContact CE2-CE2 3.89Å; Y3-Y190 HydrophobicContact CG-CD1 4.02Å; Y3-Y190 HydrophobicContact CG-CD2 4.34Å; Y3-Y190 AromaticContact CG-CE1 3.95Å; Y3-Y190 HydrophobicContact CG-CE1 3.95Å; Y3-Y190 HydrophobicContact CG-CE2 4.29Å; Y3-Y190 HydrophobicContact CG-CG 4.22Å; Y3-Y190 AromaticContact CZ-CD2 3.6Å; Y3-Y190 AromaticContact CZ-CE2 3.93Å; Y3-H197 HydrophobicContact CD1-CB 3.65Å; Y3-H197 HydrophobicContact CE1-CB 3.88Å; Y3-H197 AromaticContact CE1-ND1 3.91Å; Y3-H197 HydrophobicContact CG-CB 4.36Å
4L93.8Very high94.2Very high41 Ų4157 Ų5722%0.21530%0.298CS..  trans-65141.3170.7-68-178.5000110.1S9 F12 K196 H197 S199L4-S9 VanDerWaalsContact CB-OG 3.24Å; L4-S9 WeakPolarHBondContact CB-OG 3.37Å; L4-S9 PolarHBondContact O-OG 3.37Å; L4-F12 HydrophobicContact CD1-CB 3.99Å; L4-F12 HydrophobicContact CD1-CG 4.42Å; L4-K196 HydrophobicContact CD1-CD 3.78Å; L4-K196 VanDerWaalsContact CD1-CE 3.47Å; L4-K196 HydrophobicContact CD1-CG 4.39Å; L4-K196 HydrophobicContact CG-CD 4.47Å; L4-H197 PolarHBondContact N-O 2.7Å; L4-S199 WeakPolarHBondContact O-CB 3.14Å; L4-S199 PolarHBondContact O-OG 2.78Å
5A96.7Very high94.4Very high59 Ų5963.3 Ų63.349%0.48833%0.325SS..  trans-59.5159.6168.800000111.4L7 S8 S9A5-L7 PolarHBondContact O-N 3.26Å; A5-S8 PolarHBondContact O-N 3.04Å; A5-S8 VanDerWaalsContact O-N 3.16Å; A5-S9 WeakPolarHBondContact O-CB 3.26Å; A5-S9 PolarHBondContact O-N 3.35Å; A5-S9 PolarHBondContact O-OG 2.77Å
6P98.4Very high94.7Very high11 Ų1163.5 Ų63.57%0.07133%0.327CS..Hα-helixtrans-53.6-43.7-173.6-30.737.1000115.7S9 S10 S199 L201 T230 I278P6-S9 WeakPolarHBondContact O-CB 3.43Å; P6-S10 WeakPolarHBondContact O-CB 3.25Å; P6-S10 PolarHBondContact O-N 2.49Å; P6-S10 PolarHBondContact O-OG 3.29Å; P6-S199 WeakPolarHBondContact CA-O 3.44Å; P6-L201 HydrophobicContact CG-CB 4.34Å; P6-L201 HydrophobicContact CG-CD1 4.34Å; P6-L201 HydrophobicContact CG-CG 4.36Å; P6-T230 HydrophobicContact CB-CG2 4.2Å; P6-T230 WeakPolarHBondContact CB-OG1 3.4Å; P6-I278 HydrophobicContact CB-CD1 4.12Å
7L98.5Very high94.9Very high47 Ų4761.5 Ų61.525%0.24632%0.322CS..Hα-helixtrans-67.2-46.8177.5-177.258.6000112A5 S9 S10 L11 T230 I278 H282A5-L7 PolarHBondContact O-N 3.26Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.13Å; L7-S10 PolarHBondContact O-N 2.73Å; L7-S10 VanDerWaalsContact O-N 3.17Å; L7-L11 HydrophobicContact CG-CD1 4.36Å; L7-L11 WeakPolarHBondContact O-CG 3.24Å; L7-L11 PolarHBondContact O-N 2.89Å; L7-T230 HydrophobicContact CB-CG2 3.95Å; L7-I278 HydrophobicContact CD1-CG2 4.32Å; L7-H282 HydrophobicContact CD1-CB 3.97Å
8S98.3Very high95.1Very high60 Ų6065.7 Ų65.742%0.4234%0.34SS..Hα-helixtrans-64.2-36.3178-600000112.3A5 F12A5-S8 PolarHBondContact O-N 3.04Å; A5-S8 VanDerWaalsContact O-N 3.16Å; S8-F12 PolarHBondContact O-N 3.5Å; S8-F12 VanDerWaalsContact O-N 3.09Å
9S98.7Very high95.3Very high0 Ų065.2 Ų65.20%034%0.336CS..Hα-helixtrans-58.3-50.9171.1-69.70000110.4L4 A5 P6 L7 L11 F12 V13 V198 S199L4-S9 VanDerWaalsContact CB-OG 3.24Å; L4-S9 WeakPolarHBondContact CB-OG 3.37Å; L4-S9 PolarHBondContact O-OG 3.37Å; A5-S9 WeakPolarHBondContact O-CB 3.26Å; A5-S9 PolarHBondContact O-N 3.35Å; A5-S9 PolarHBondContact O-OG 2.77Å; P6-S9 WeakPolarHBondContact O-CB 3.43Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.13Å; S9-L11 PolarHBondContact O-N 3.06Å; S9-F12 PolarHBondContact O-N 3.27Å; S9-V13 WeakPolarHBondContact O-CG2 3.22Å; S9-V13 PolarHBondContact O-N 2.93Å; S9-V198 WeakPolarHBondContact OG-CA 3.46Å; S9-S199 WeakPolarHBondContact CB-O 3.42Å; S9-S199 PolarHBondContact OG-N 3.26Å; S9-S199 PolarHBondContact OG-O 2.75Å
10S98.7Very high95.5Very high0 Ų062.3 Ų62.30%032%0.321CS..Hα-helixtrans-65.2-39.8-176.9-57.80000112.3P6 L7 V13 M14 A275 I278P6-S10 WeakPolarHBondContact O-CB 3.25Å; P6-S10 PolarHBondContact O-N 2.49Å; P6-S10 PolarHBondContact O-OG 3.29Å; L7-S10 PolarHBondContact O-N 2.73Å; L7-S10 VanDerWaalsContact O-N 3.17Å; S10-V13 PolarHBondContact O-N 2.99Å; S10-M14 WeakPolarHBondContact O-CB 3.4Å; S10-M14 VanDerWaalsContact O-CG 3.26Å; S10-M14 WeakPolarHBondContact O-CG 3.21Å; S10-M14 PolarHBondContact O-N 3.47Å; S10-A275 WeakPolarHBondContact CB-O 3.2Å; S10-I278 VanDerWaalsContact OG-CB 3.29Å; S10-I278 WeakPolarHBondContact OG-CB 3.5Å; S10-I278 WeakPolarHBondContact OG-CD1 3.12Å; S10-I278 VanDerWaalsContact OG-CG2 3.27Å; S10-I278 WeakPolarHBondContact OG-CG2 3.44Å
11L98.4Very high95.6Very high72 Ų7262 Ų6238%0.37732%0.324SS..Hα-helixtrans-59.9-46.3172.7-73168.6000111.8L7 S9 Q15 L279L7-L11 HydrophobicContact CG-CD1 4.36Å; L7-L11 WeakPolarHBondContact O-CG 3.24Å; L7-L11 PolarHBondContact O-N 2.89Å; S9-L11 PolarHBondContact O-N 3.06Å; L11-Q15 WeakPolarHBondContact O-CB 3.31Å; L11-Q15 VanDerWaalsContact O-CG 3.22Å; L11-Q15 WeakPolarHBondContact O-CG 3.48Å; L11-Q15 PolarHBondContact O-N 2.91Å; L11-Q15 VanDerWaalsContact O-N 3.1Å; L11-L279 HydrophobicContact CD2-CD1 3.62Å; L11-L279 HydrophobicContact CD2-CD2 4.22Å; L11-L279 HydrophobicContact CG-CD1 4.37Å
12F98.6Very high97.1Very high40 Ų4055.2 Ų55.218%0.17529%0.291CS..Hα-helixtrans-64.7-45.9178.8174.5-99.1000112.2L4 S8 S9 Q15 N16 Y193 K196 V198L4-F12 HydrophobicContact CD1-CB 3.99Å; L4-F12 HydrophobicContact CD1-CG 4.42Å; S8-F12 PolarHBondContact O-N 3.5Å; S8-F12 VanDerWaalsContact O-N 3.09Å; S9-F12 PolarHBondContact O-N 3.27Å; F12-Q15 PolarHBondContact O-N 3.31Å; F12-N16 PolarHBondContact O-ND2 2.89Å; F12-Y193 HydrophobicContact CD1-CD1 4.41Å; F12-Y193 HydrophobicContact CE1-CD1 4.07Å; F12-K196 HydrophobicContact CD1-CB 4.08Å; F12-K196 HydrophobicContact CD1-CD 3.68Å; F12-K196 HydrophobicContact CD1-CG 4.38Å; F12-K196 HydrophobicContact CD2-CD 3.69Å; F12-K196 HydrophobicContact CE1-CB 3.41Å; F12-K196 VanDerWaalsContact CE1-CB 3.41Å; F12-K196 HydrophobicContact CE1-CD 3.62Å; F12-K196 HydrophobicContact CE1-CG 4.11Å; F12-K196 HydrophobicContact CE2-CD 3.64Å; F12-K196 HydrophobicContact CG-CD 3.71Å; F12-K196 HydrophobicContact CZ-CB 3.7Å; F12-K196 HydrophobicContact CZ-CD 3.6Å; F12-K196 HydrophobicContact CZ-CG 4.31Å; F12-V198 HydrophobicContact CD1-CG1 4.27Å
13V98.8Very high97.8Very high0 Ų048.5 Ų48.50%026%0.261CS..Hα-helixtrans-61-50.7178.5172.10000110S9 S10 Q15 N16 A17 Y193 V198 V271 E272 A275S9-V13 WeakPolarHBondContact O-CG2 3.22Å; S9-V13 PolarHBondContact O-N 2.93Å; S10-V13 PolarHBondContact O-N 2.99Å; V13-Q15 VanDerWaalsContact C-N 3.27Å; V13-Q15 PolarHBondContact O-N 3.38Å; V13-N16 CarbonylContact O-C 3.44Å; V13-N16 WeakPolarHBondContact O-CA 3.32Å; V13-N16 PolarHBondContact O-N 3.46Å; V13-A17 PolarHBondContact O-N 3.34Å; V13-Y193 HydrophobicContact CB-CD1 4.27Å; V13-Y193 HydrophobicContact CB-CE1 4.24Å; V13-Y193 HydrophobicContact CG1-CD1 4.32Å; V13-Y193 HydrophobicContact CG1-CD2 4.47Å; V13-Y193 HydrophobicContact CG1-CE1 4.01Å; V13-Y193 HydrophobicContact CG1-CE2 4.14Å; V13-Y193 HydrophobicContact CG2-CD1 3.77Å; V13-Y193 HydrophobicContact CG2-CE1 4.23Å; V13-Y193 HydrophobicContact CG2-CG 3.93Å; V13-V198 HydrophobicContact CG2-CG1 4.07Å; V13-V271 HydrophobicContact CG1-CG1 4.13Å; V13-V271 HydrophobicContact CG2-CG1 3.83Å; V13-E272 HydrophobicContact CG1-CB 4.45Å; V13-E272 HydrophobicContact CG1-CG 3.87Å; V13-A275 HydrophobicContact CB-CB 3.52Å; V13-A275 HydrophobicContact CG1-CB 3.4Å; V13-A275 VanDerWaalsContact CG1-CB 3.4Å; V13-A275 HydrophobicContact CG2-CB 4.18Å
14M98.7Very high98.1Very high31 Ų3149.3 Ų49.315%0.15327%0.274CS..Hα-helixtrans-68.2-22.9-176.6-66.1-50.3-5600114.2S10 N16 A17 V20 I22 A275 A276 L279S10-M14 WeakPolarHBondContact O-CB 3.4Å; S10-M14 VanDerWaalsContact O-CG 3.26Å; S10-M14 WeakPolarHBondContact O-CG 3.21Å; S10-M14 PolarHBondContact O-N 3.47Å; M14-N16 PolarHBondContact O-N 3.05Å; M14-A17 HydrophobicContact CE-CB 4.09Å; M14-A17 HydrophobicContact SD-CB 4.21Å; M14-V20 WeakPolarHBondContact CE-O 3.42Å; M14-I22 HydrophobicContact CE-CD1 4.33Å; M14-I22 HydrophobicContact CE-CG1 4.14Å; M14-I22 HydrophobicContact CG-CD1 4.44Å; M14-A275 HydrophobicContact CG-CB 4.17Å; M14-A275 HydrophobicContact SD-CB 4.1Å; M14-A276 HydrophobicContact CE-CB 3.98Å; M14-A276 VanDerWaalsContact SD-CA 3.55Å; M14-A276 HydrophobicContact SD-CB 3.63Å; M14-A276 PolarHBondContact SD-N 2.99Å; M14-A276 VanDerWaalsContact SD-N 3.44Å; M14-L279 HydrophobicContact CB-CD2 3.69Å; M14-L279 HydrophobicContact CG-CB 4.38Å; M14-L279 HydrophobicContact CG-CD2 3.76Å
15Q98.3Very high98.3Very high151 Ų15153.5 Ų53.571%0.70629%0.293SS*.Hα-helixtrans-69.3-20.1169.9-78.5171.7-8.800113.3L11 F12 V13L11-Q15 WeakPolarHBondContact O-CB 3.31Å; L11-Q15 VanDerWaalsContact O-CG 3.22Å; L11-Q15 WeakPolarHBondContact O-CG 3.48Å; L11-Q15 PolarHBondContact O-N 2.91Å; L11-Q15 VanDerWaalsContact O-N 3.1Å; F12-Q15 PolarHBondContact O-N 3.31Å; V13-Q15 VanDerWaalsContact C-N 3.27Å; V13-Q15 PolarHBondContact O-N 3.38Å
16N98.5Very high98.4Very high67 Ų6752 Ų5236%0.35828%0.276SS..SBendtrans-1238.7-174.9-61.8-86.9000112.4F12 V13 M14 Y193 K194F12-N16 PolarHBondContact O-ND2 2.89Å; V13-N16 CarbonylContact O-C 3.44Å; V13-N16 WeakPolarHBondContact O-CA 3.32Å; V13-N16 PolarHBondContact O-N 3.46Å; M14-N16 PolarHBondContact O-N 3.05Å; N16-Y193 HydrophobicContact CB-CE1 4.15Å; N16-Y193 PolarHBondContact O-OH 2.89Å; N16-K194 HydrophobicContact CB-CD 4.11Å; N16-K194 PolarHBondContact O-NZ 3.23Å
17A98.5Very high98.4Very high29 Ų2951.6 Ų51.624%0.2427%0.273CS..  trans-71.8142.5-174.700000111.9V13 M14 V20 E272V13-A17 PolarHBondContact O-N 3.34Å; M14-A17 HydrophobicContact CE-CB 4.09Å; M14-A17 HydrophobicContact SD-CB 4.21Å; A17-V20 WeakPolarHBondContact CB-O 3.27Å; A17-E272 WeakPolarHBondContact CA-OE1 3.47Å; A17-E272 HydrophobicContact CB-CG 3.89Å
18E98.3Very high98.4Very high138 Ų13852.5 Ų52.565%0.64528%0.277SS*.SBendtrans-118-20.7-178.8-69.2178.5-145.500112.9K194 E272E18-K194 IonicContact OE1-NZ 2.7Å; E18-K194 PolarHBondContact OE1-NZ 3.37Å; E18-E272 PolarHBondContact N-OE1 3Å; E18-E272 PolarHBondContact N-OE2 3.03Å
19H98.6Very high98.4Very high55 Ų5556.6 Ų56.626%0.25528%0.283SS..SBendtrans-118-14.8-170.6-56.5-71.7000114Y249 S250 L253 L269 E272H19-Y249 CarbonylContact O-C 3.37Å; H19-Y249 WeakPolarHBondContact O-CA 3.38Å; H19-S250 PolarHBondContact O-N 3.47Å; H19-S250 PolarHBondContact O-OG 3.46Å; H19-L253 HydrophobicContact CB-CD2 4.31Å; H19-L269 HydrophobicContact CB-CD2 3.61Å; H19-L269 VanDerWaalsContact CD2-CD2 3.46Å; H19-L269 WeakPolarHBondContact CD2-CD2 3.28Å; H19-E272 WeakPolarHBondContact CA-OE2 3.47Å; H19-E272 WeakPolarHBondContact CB-OE2 3.21Å; H19-E272 IonicContact CD2-OE1 3.86Å; H19-E272 IonicContact CD2-OE2 2.98Å; H19-E272 PolarHBondContact N-OE2 3.37Å
20V98.7Very high98.3Very high7 Ų756.8 Ų56.84%0.04228%0.284CS..EExtended strand (participates in β ladder)trans-131.9137.4177.2-170.30000110.3M14 A17 E248 Y249 L253 E272 I273 A276M14-V20 WeakPolarHBondContact CE-O 3.42Å; A17-V20 WeakPolarHBondContact CB-O 3.27Å; V20-E248 VanDerWaalsContact CA-O 3.32Å; V20-E248 WeakPolarHBondContact CA-O 3.4Å; V20-E248 WeakPolarHBondContact CG1-O 3.28Å; V20-Y249 HydrophobicContact CG1-CD1 4Å; V20-Y249 HydrophobicContact CG1-CE1 4.12Å; V20-Y249 HydrophobicContact CG2-CD1 3.97Å; V20-Y249 HydrophobicContact CG2-CE1 4.35Å; V20-L253 HydrophobicContact CG2-CD2 3.7Å; V20-E272 HydrophobicContact CB-CB 4.03Å; V20-E272 HydrophobicContact CG2-CB 3.68Å; V20-E272 PolarHBondContact N-OE2 2.63Å; V20-I273 HydrophobicContact CG2-CG1 3.92Å; V20-A276 HydrophobicContact CB-CB 4.37Å; V20-A276 HydrophobicContact CG1-CB 3.39Å
21S98.6Very high98.3Very high56 Ų5656.8 Ų56.839%0.39228%0.284SS..EExtended strand (participates in β ladder)trans-129.4163.2174.868.30000111.2I247 E248S21-I247 CarbonylContact O-C 3.45Å; S21-I247 WeakPolarHBondContact O-CA 3.4Å; S21-E248 PolarHBondContact N-O 3.28Å; S21-E248 PolarHBondContact O-N 3.11Å
22I98.5Very high98.3Very high38 Ų3858.6 Ų58.620%0.19529%0.29CS..EExtended strand (participates in β ladder)trans-111.6128.6175.7-69172.4000108.8M14 I27 A246 I247 A276 L279 A280M14-I22 HydrophobicContact CE-CD1 4.33Å; M14-I22 HydrophobicContact CE-CG1 4.14Å; M14-I22 HydrophobicContact CG-CD1 4.44Å; I22-I27 HydrophobicContact CG2-CD1 3.33Å; I22-I27 HydrophobicContact CG2-CG1 4.4Å; I22-A246 WeakPolarHBondContact CA-O 3.25Å; I22-I247 HydrophobicContact CG1-CG2 4.33Å; I22-A276 HydrophobicContact CG1-CB 4.35Å; I22-L279 HydrophobicContact CD1-CB 3.69Å; I22-L279 HydrophobicContact CD1-CD2 3.76Å; I22-L279 HydrophobicContact CD1-CG 3.66Å; I22-A280 HydrophobicContact CD1-CB 4.4Å
23N98.3Very high98.2Very high39 Ų3958.4 Ų58.421%0.20929%0.291CS..  trans-97.6107.5176.7-171.2-46.3000110.4E25 N26 I27 G245 A246 E248N23-E25 VanDerWaalsContact C-N 3.33Å; N23-E25 PolarHBondContact O-N 3.08Å; N23-E25 PolarHBondContact OD1-N 3.29Å; N23-E25 VanDerWaalsContact OD1-N 3.1Å; N23-N26 HydrophobicContact CB-CB 4.09Å; N23-N26 PolarHBondContact ND2-ND2 3.01Å; N23-N26 PolarHBondContact O-N 3.49Å; N23-N26 PolarHBondContact OD1-N 3.41Å; N23-I27 WeakPolarHBondContact O-CG1 3.49Å; N23-I27 PolarHBondContact O-N 3.4Å; N23-G245 VanDerWaalsContact CB-O 3.22Å; N23-G245 WeakPolarHBondContact CB-O 3.21Å; N23-A246 PolarHBondContact N-O 3.04Å; N23-E248 PolarHBondContact ND2-OE1 2.93Å
24V97.2Very high98Very high94 Ų9458.5 Ų58.557%0.5729%0.291SS*.Hα-helixtrans-64-36.9-176.4179.40000112.1I27 Q28V24-I27 PolarHBondContact O-N 3.04Å; V24-Q28 WeakPolarHBondContact O-CG 3.45Å; V24-Q28 PolarHBondContact O-N 2.94Å; V24-Q28 VanDerWaalsContact O-N 3.08Å
25E98.1Very high97.8Very high130 Ų13058.9 Ų58.961%0.60730%0.296SS*.Hα-helixtrans-67.6-43.9179.9-63.4-176.5-177.500111.3N23 I27 Q28 R29N23-E25 VanDerWaalsContact C-N 3.33Å; N23-E25 PolarHBondContact O-N 3.08Å; N23-E25 PolarHBondContact OD1-N 3.29Å; N23-E25 VanDerWaalsContact OD1-N 3.1Å; E25-I27 VanDerWaalsContact C-N 3.33Å; E25-I27 PolarHBondContact O-N 3.41Å; E25-Q28 PolarHBondContact O-N 2.89Å; E25-Q28 VanDerWaalsContact O-N 3.11Å; E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 IonicContact OE2-NH2 3.99Å
26N98.4Very high97.6Very high27 Ų2759 Ų5914%0.14430%0.297CS..Hα-helixtrans-67.3-33.8176.5-72.3-25.3000112.2N23 Q28 R29 L30 G245N23-N26 HydrophobicContact CB-CB 4.09Å; N23-N26 PolarHBondContact ND2-ND2 3.01Å; N23-N26 PolarHBondContact O-N 3.49Å; N23-N26 PolarHBondContact OD1-N 3.41Å; N26-Q28 VanDerWaalsContact C-N 3.31Å; N26-Q28 PolarHBondContact O-N 3.28Å; N26-R29 PolarHBondContact O-N 3.23Å; N26-R29 PolarHBondContact OD1-NH1 2.83Å; N26-L30 WeakPolarHBondContact O-CB 3.38Å; N26-L30 PolarHBondContact O-N 3.21Å; N26-G245 VanDerWaalsContact CB-O 3.24Å; N26-G245 WeakPolarHBondContact CB-O 3.32Å; N26-G245 PolarHBondContact ND2-O 3.18Å
27I98.4Very high97.3Very high2 Ų262.2 Ų62.21%0.0131%0.308CS..Hα-helixtrans-57.7-45.1168.3-77.7179000110.8I22 N23 V24 E25 L30 V31 A246 A280 N283 I284I22-I27 HydrophobicContact CG2-CD1 3.33Å; I22-I27 HydrophobicContact CG2-CG1 4.4Å; N23-I27 WeakPolarHBondContact O-CG1 3.49Å; N23-I27 PolarHBondContact O-N 3.4Å; V24-I27 PolarHBondContact O-N 3.04Å; E25-I27 VanDerWaalsContact C-N 3.33Å; E25-I27 PolarHBondContact O-N 3.41Å; I27-L30 PolarHBondContact O-N 3.1Å; I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 VanDerWaalsContact O-CG2 3.25Å; I27-V31 WeakPolarHBondContact O-CG2 3.41Å; I27-V31 PolarHBondContact O-N 2.93Å; I27-A246 HydrophobicContact CG1-CB 3.78Å; I27-A280 HydrophobicContact CD1-CB 4.05Å; I27-N283 HydrophobicContact CD1-CB 4.05Å; I27-N283 HydrophobicContact CG2-CB 4.42Å; I27-I284 HydrophobicContact CG2-CG1 3.88Å
28Q98.2Very high96.8Very high67 Ų6764.7 Ų64.731%0.31331%0.311SS..Hα-helixtrans-66.4-38.6179.4-64.2-54.4-24.600112.5V24 E25 N26 L30 V31 E32 S287V24-Q28 WeakPolarHBondContact O-CG 3.45Å; V24-Q28 PolarHBondContact O-N 2.94Å; V24-Q28 VanDerWaalsContact O-N 3.08Å; E25-Q28 PolarHBondContact O-N 2.89Å; E25-Q28 VanDerWaalsContact O-N 3.11Å; N26-Q28 VanDerWaalsContact C-N 3.31Å; N26-Q28 PolarHBondContact O-N 3.28Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.81Å; Q28-V31 WeakPolarHBondContact O-CB 3.47Å; Q28-V31 PolarHBondContact O-N 3.09Å; Q28-E32 WeakPolarHBondContact O-CG 3.4Å; Q28-E32 PolarHBondContact O-N 3.38Å; Q28-S287 PolarHBondContact NE2-OG 3.1Å; Q28-S287 PolarHBondContact OE1-OG 3.06Å
29R97.9Very high96.1Very high145 Ų14560 Ų6055%0.54729%0.294SS..Hα-helixtrans-61.1-42.2173.1-68.3178-174.4139.45.4112E25 N26 E32 M33E25-R29 PolarHBondContact O-N 3.39Å; E25-R29 IonicContact OE2-NH2 3.99Å; N26-R29 PolarHBondContact O-N 3.23Å; N26-R29 PolarHBondContact OD1-NH1 2.83Å; R29-E32 PolarHBondContact O-N 3.36Å; R29-M33 PolarHBondContact O-N 3.44Å
30L97.9Very high95.4Very high4 Ų463 Ų632%0.02132%0.318CS..Hα-helixtrans-63.3-43.5174.9177.855.7000111.1N26 I27 Q28 E32 M33 V34 L241 F244 I284 L304N26-L30 WeakPolarHBondContact O-CB 3.38Å; N26-L30 PolarHBondContact O-N 3.21Å; I27-L30 PolarHBondContact O-N 3.1Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.81Å; L30-E32 PolarHBondContact O-N 2.99Å; L30-M33 HydrophobicContact CD1-CE 3.53Å; L30-M33 HydrophobicContact CD1-SD 4.39Å; L30-M33 PolarHBondContact O-N 3.37Å; L30-V34 HydrophobicContact CD1-CG2 4.25Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.45Å; L30-V34 PolarHBondContact O-N 3.45Å; L30-L241 HydrophobicContact CD2-CD2 4.23Å; L30-F244 HydrophobicContact CD1-CD1 4.33Å; L30-F244 HydrophobicContact CD1-CD2 3.72Å; L30-F244 HydrophobicContact CD1-CE1 4.44Å; L30-F244 HydrophobicContact CD1-CE2 3.81Å; L30-F244 HydrophobicContact CD1-CG 3.99Å; L30-F244 HydrophobicContact CD1-CZ 4.16Å; L30-F244 HydrophobicContact CD2-CB 4.32Å; L30-F244 HydrophobicContact CD2-CD2 4.03Å; L30-F244 HydrophobicContact CD2-CG 4.36Å; L30-F244 HydrophobicContact CG-CD2 4.49Å; L30-I284 HydrophobicContact CD2-CD1 3.72Å; L30-I284 HydrophobicContact CG-CD1 4.49Å; L30-L304 HydrophobicContact CD2-CD2 4.45Å
31V98Very high94.9Very high0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-58.7-45.8175168.40000111.3I27 Q28 M33 V34 C35 I284 L288 K291I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 VanDerWaalsContact O-CG2 3.25Å; I27-V31 WeakPolarHBondContact O-CG2 3.41Å; I27-V31 PolarHBondContact O-N 2.93Å; Q28-V31 WeakPolarHBondContact O-CB 3.47Å; Q28-V31 PolarHBondContact O-N 3.09Å; V31-M33 PolarHBondContact O-N 3.12Å; V31-V34 PolarHBondContact O-N 2.93Å; V31-C35 PolarHBondContact O-N 2.96Å; V31-C35 PolarHBondContact O-SG 3.21Å; V31-I284 HydrophobicContact CG2-CB 4.29Å; V31-I284 HydrophobicContact CG2-CG1 4.28Å; V31-I284 HydrophobicContact CG2-CG2 4.01Å; V31-L288 HydrophobicContact CG1-CD2 3.87Å; V31-L288 HydrophobicContact CG1-CG 4.15Å; V31-K291 HydrophobicContact CG1-CD 4.07Å
32E97.6Very high94.3Very high111 Ų11165.4 Ų65.452%0.51933%0.325SS..Hα-helixtrans-60.5-43.9177.9-73.4171.217800112.2Q28 R29 L30 V34 C35 E36Q28-E32 WeakPolarHBondContact O-CG 3.4Å; Q28-E32 PolarHBondContact O-N 3.38Å; R29-E32 PolarHBondContact O-N 3.36Å; L30-E32 PolarHBondContact O-N 2.99Å; E32-V34 PolarHBondContact O-N 3.04Å; E32-C35 WeakPolarHBondContact O-CB 3.47Å; E32-C35 PolarHBondContact O-N 3.42Å; E32-E36 PolarHBondContact O-N 2.99Å
33M96.3Very high93.6Very high36 Ų3666.9 Ų66.918%0.17734%0.336CS..Hα-helixtrans-64.3-39.5176.2-178.4-116-65.200112.4R29 L30 V31 E36 K37 Y38 F244R29-M33 PolarHBondContact O-N 3.44Å; L30-M33 HydrophobicContact CD1-CE 3.53Å; L30-M33 HydrophobicContact CD1-SD 4.39Å; L30-M33 PolarHBondContact O-N 3.37Å; V31-M33 PolarHBondContact O-N 3.12Å; M33-E36 PolarHBondContact O-N 3.42Å; M33-K37 HydrophobicContact CG-CD 4.45Å; M33-K37 PolarHBondContact O-N 3.22Å; M33-Y38 HydrophobicContact SD-CD2 4.28Å; M33-Y38 HydrophobicContact SD-CE2 3.82Å; M33-F244 HydrophobicContact CE-CD1 3.82Å; M33-F244 HydrophobicContact CE-CE1 3.12Å; M33-F244 HydrophobicContact CE-CE2 4.25Å; M33-F244 HydrophobicContact CE-CZ 3.37Å
34V95.3Very high93Very high2 Ų269.7 Ų69.71%0.01235%0.347CS..Hα-helixtrans-62.9-46.1173.6170.10000110.8L30 V31 E32 E36 Y38 S39 F41 L288 F303L30-V34 HydrophobicContact CD1-CG2 4.25Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.45Å; L30-V34 PolarHBondContact O-N 3.45Å; V31-V34 PolarHBondContact O-N 2.93Å; E32-V34 PolarHBondContact O-N 3.04Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.37Å; V34-Y38 CarbonylContact O-C 3.4Å; V34-Y38 WeakPolarHBondContact O-CA 3.32Å; V34-Y38 PolarHBondContact O-N 3.45Å; V34-S39 PolarHBondContact O-N 3.3Å; V34-F41 HydrophobicContact CG1-CE1 3.84Å; V34-F41 HydrophobicContact CG1-CE2 4.44Å; V34-F41 HydrophobicContact CG1-CZ 3.54Å; V34-L288 HydrophobicContact CB-CD2 4.45Å; V34-L288 HydrophobicContact CG1-CD1 4.21Å; V34-L288 HydrophobicContact CG1-CD2 3.96Å; V34-F303 HydrophobicContact CG2-CD1 4.23Å; V34-F303 HydrophobicContact CG2-CE1 3.52Å; V34-F303 HydrophobicContact CG2-CZ 3.76Å
35C94.7Very high92.5Very high39 Ų3966 Ų6626%0.26433%0.325SS..Hα-helixtrans-57.5-40.8175.9-67.30000112.4V31 E32 I293V31-C35 PolarHBondContact O-N 2.96Å; V31-C35 PolarHBondContact O-SG 3.21Å; E32-C35 WeakPolarHBondContact O-CB 3.47Å; E32-C35 PolarHBondContact O-N 3.42Å; C35-I293 HydrophobicContact CB-CD1 4.03Å; C35-I293 WeakPolarHBondContact SG-CD1 3.49Å
36E93.8Very high92.2Very high152 Ų15260.3 Ų60.371%0.7130%0.298SS*.Hα-helixtrans-75.1-40.1-175.8-173-173-170.100112.8E32 M33 V34E32-E36 PolarHBondContact O-N 2.99Å; M33-E36 PolarHBondContact O-N 3.42Å; V34-E36 VanDerWaalsContact C-N 3.29Å; V34-E36 PolarHBondContact O-N 3.37Å
37K92.3Very high91.7Very high135 Ų13560.3 Ų60.359%0.58730%0.297SS*.Hα-helixtrans-117.5-19.7-165.1-64.2-178.9-177.4177.90115.4M33M33-K37 HydrophobicContact CG-CD 4.45Å; M33-K37 PolarHBondContact O-N 3.22Å
38Y88.4Confident91.4Very high81 Ų8165.3 Ų65.332%0.31832%0.324SS..THydrogen-bonded Turntrans-131.36.9-168.4-59.4-77.2000113.3M33 V34 P40 F303 Y307M33-Y38 HydrophobicContact SD-CD2 4.28Å; M33-Y38 HydrophobicContact SD-CE2 3.82Å; V34-Y38 CarbonylContact O-C 3.4Å; V34-Y38 WeakPolarHBondContact O-CA 3.32Å; V34-Y38 PolarHBondContact O-N 3.45Å; Y38-P40 CarbonylContact O-C 3.48Å; Y38-F303 HydrophobicContact CD1-CD2 4.12Å; Y38-F303 AromaticContact CD1-CE2 3.6Å; Y38-F303 HydrophobicContact CD1-CE2 3.6Å; Y38-F303 AromaticContact CD2-CE2 3.58Å; Y38-F303 HydrophobicContact CD2-CE2 3.58Å; Y38-F303 AromaticContact CD2-CZ 3.89Å; Y38-F303 HydrophobicContact CD2-CZ 3.89Å; Y38-F303 AromaticContact CE1-CE2 3.93Å; Y38-F303 HydrophobicContact CE1-CE2 3.93Å; Y38-F303 AromaticContact CE2-CE2 3.91Å; Y38-F303 HydrophobicContact CE2-CE2 3.91Å; Y38-F303 HydrophobicContact CE2-CZ 4.15Å; Y38-F303 HydrophobicContact CG-CD2 4.07Å; Y38-F303 AromaticContact CG-CE2 3.41Å; Y38-F303 HydrophobicContact CG-CE2 3.41Å; Y38-F303 VanDerWaalsContact CG-CE2 3.41Å; Y38-F303 HydrophobicContact CG-CZ 4.16Å; Y38-Y307 HydrophobicContact CE2-CE2 4.46Å
39S82.3Confident91.1Very high41 Ų4164.6 Ų64.629%0.28732%0.321SS..  trans-105.6137.5177.3-1700000111.5V34 I293V34-S39 PolarHBondContact O-N 3.3Å; S39-I293 WeakPolarHBondContact OG-CD1 3.31Å; S39-I293 WeakPolarHBondContact OG-CG2 3.37Å
40P84.7Confident91Very high117 Ų11763 Ų6376%0.7632%0.32SS*.SBendcis-69.7154.2-6.331.7-35.4000111.6Y38Y38-P40 CarbonylContact O-C 3.48Å
41F87.9Confident90.9Very high26 Ų2663.1 Ų63.111%0.11432%0.32CS..  trans-62.2139.6174.8-67.4-71.5000110.9V34 T43 L288 C295 M299 V300 F303V34-F41 HydrophobicContact CG1-CE1 3.84Å; V34-F41 HydrophobicContact CG1-CE2 4.44Å; V34-F41 HydrophobicContact CG1-CZ 3.54Å; F41-T43 PolarHBondContact O-N 2.98Å; F41-T43 VanDerWaalsContact O-N 3.16Å; F41-L288 HydrophobicContact CE2-CD1 3.93Å; F41-L288 HydrophobicContact CZ-CD1 3.88Å; F41-C295 HydrophobicContact CD2-CB 3.77Å; F41-C295 HydrophobicContact CE2-CB 3.64Å; F41-M299 HydrophobicContact CB-SD 4.49Å; F41-M299 HydrophobicContact CD2-CB 4.2Å; F41-M299 HydrophobicContact CD2-SD 4.37Å; F41-M299 HydrophobicContact CG-CB 4.35Å; F41-V300 HydrophobicContact CE2-CG2 4.2Å; F41-V300 HydrophobicContact CZ-CG2 3.97Å; F41-F303 HydrophobicContact CD1-CB 4.03Å; F41-F303 HydrophobicContact CE1-CB 3.67Å; F41-F303 HydrophobicContact CE1-CD1 4.32Å; F41-F303 HydrophobicContact CE1-CD2 4.43Å; F41-F303 AromaticContact CE1-CG 3.87Å; F41-F303 HydrophobicContact CE1-CG 3.87Å
42D85.5Confident90.9Very high88 Ų8863.6 Ų63.647%0.47132%0.323SS..  trans-72105.9173.2178.516.2000110.1K44 S45D42-K44 PolarHBondContact O-N 3.26Å; D42-K44 WeakPolarHBondContact OD1-CA 3.42Å; D42-K44 WeakPolarHBondContact OD1-CB 3.34Å; D42-K44 PolarHBondContact OD1-N 3.36Å; D42-S45 WeakPolarHBondContact O-CB 3.46Å; D42-S45 PolarHBondContact O-N 2.65Å; D42-S45 PolarHBondContact O-OG 3.07Å; D42-S45 PolarHBondContact OD2-N 3.22Å
43T83.7Confident90.8Very high69 Ų6959.2 Ų59.242%0.42330%0.304SS..THydrogen-bonded Turntrans-69.8-8.717862.80000113.1F41 M299F41-T43 PolarHBondContact O-N 2.98Å; F41-T43 VanDerWaalsContact O-N 3.16Å; T43-M299 HydrophobicContact CG2-CE 4.34Å
44K86.7Confident90.4Very high98 Ų9863.4 Ų63.443%0.42633%0.328SS..THydrogen-bonded Turntrans-103.92.5177.7-60.2-171.3173.8-169.90113D42 W46 I47 N48D42-K44 PolarHBondContact O-N 3.26Å; D42-K44 WeakPolarHBondContact OD1-CA 3.42Å; D42-K44 WeakPolarHBondContact OD1-CB 3.34Å; D42-K44 PolarHBondContact OD1-N 3.36Å; K44-W46 PolarHBondContact O-N 3.04Å; K44-W46 VanDerWaalsContact O-N 3.08Å; K44-I47 PolarHBondContact O-N 3.38Å; K44-I47 VanDerWaalsContact O-N 3.16Å; K44-N48 WeakPolarHBondContact CB-ND2 3.32Å; K44-N48 VanDerWaalsContact O-CB 3.31Å; K44-N48 WeakPolarHBondContact O-CB 3.32Å; K44-N48 PolarHBondContact O-N 2.99Å; K44-N48 PolarHBondContact O-ND2 3.29Å
45S86.4Confident90.3Very high16 Ų1667.2 Ų67.211%0.11235%0.35CS..THydrogen-bonded Turntrans-54.5-33.3-176.3650000113.2D42 Q49 N302D42-S45 WeakPolarHBondContact O-CB 3.46Å; D42-S45 PolarHBondContact O-N 2.65Å; D42-S45 PolarHBondContact O-OG 3.07Å; D42-S45 PolarHBondContact OD2-N 3.22Å; S45-Q49 WeakPolarHBondContact O-CG 3.41Å; S45-Q49 PolarHBondContact O-NE2 3.36Å; S45-N302 PolarHBondContact OG-OD1 2.96Å
46W91.2Very high90.2Very high11 Ų1168 Ų684%0.04236%0.36CS..THydrogen-bonded Turntrans-81.4-45.4178.6-172100.8000112.8K44 N48 Q49 T52 W63 I64 D210 Y213 C214K44-W46 PolarHBondContact O-N 3.04Å; K44-W46 VanDerWaalsContact O-N 3.08Å; W46-N48 PolarHBondContact O-N 2.82Å; W46-Q49 WeakPolarHBondContact O-CB 3.38Å; W46-Q49 WeakPolarHBondContact O-CG 3.49Å; W46-Q49 PolarHBondContact O-N 2.88Å; W46-T52 HydrophobicContact CD2-CG2 4.13Å; W46-T52 HydrophobicContact CE3-CG2 4.41Å; W46-T52 HydrophobicContact CH2-CG2 4.18Å; W46-T52 HydrophobicContact CZ2-CG2 3.88Å; W46-T52 HydrophobicContact CZ3-CG2 4.42Å; W46-T52 PolarHBondContact O-OG1 3.48Å; W46-W63 HydrophobicContact CH2-CZ3 4.4Å; W46-W63 HydrophobicContact CZ2-CZ3 4.21Å; W46-I64 HydrophobicContact CH2-CD1 3.88Å; W46-I64 HydrophobicContact CH2-CG1 3.88Å; W46-I64 HydrophobicContact CZ2-CD1 4.46Å; W46-I64 HydrophobicContact CZ2-CG1 4.18Å; W46-D210 HydrophobicContact CZ2-CB 3.8Å; W46-D210 VanDerWaalsContact NE1-CG 3.34Å; W46-D210 PolarHBondContact NE1-OD1 3Å; W46-Y213 HydrophobicContact CB-CD1 3.97Å; W46-Y213 HydrophobicContact CB-CD2 4.05Å; W46-Y213 HydrophobicContact CB-CG 3.7Å; W46-Y213 HydrophobicContact CG-CD2 4.2Å; W46-Y213 HydrophobicContact CG-CG 4.09Å; W46-C214 HydrophobicContact CE3-CB 4.31Å; W46-C214 HydrophobicContact CH2-CB 3.94Å; W46-C214 HydrophobicContact CZ3-CB 3.55Å
47I89.3Confident90.4Very high26 Ų2663.9 Ų63.913%0.13334%0.343CS..THydrogen-bonded Turntrans-65.6-31.1179.3-64.1166.1000111K44 Q49 N54 Y213 E216K44-I47 PolarHBondContact O-N 3.38Å; K44-I47 VanDerWaalsContact O-N 3.16Å; I47-Q49 PolarHBondContact O-N 3.12Å; I47-N54 HydrophobicContact CG2-CB 4.48Å; I47-Y213 WeakPolarHBondContact CD1-O 3.38Å; I47-E216 HydrophobicContact CD1-CG 3.51Å
48N91.4Very high90.6Very high108 Ų10862.3 Ų62.358%0.57834%0.337SS*.THydrogen-bonded Turntrans-78.8-1.1179.6-68.1-23.5000113.5K44 W46K44-N48 WeakPolarHBondContact CB-ND2 3.32Å; K44-N48 VanDerWaalsContact O-CB 3.31Å; K44-N48 WeakPolarHBondContact O-CB 3.32Å; K44-N48 PolarHBondContact O-N 2.99Å; K44-N48 PolarHBondContact O-ND2 3.29Å; W46-N48 PolarHBondContact O-N 2.82Å
49Q93.1Very high91Very high52 Ų5262.7 Ų62.724%0.24334%0.338CS..SBendtrans-72.9133.8174.1-58.8-65.9-37.600109.7S45 W46 I47 L51 T52 W95S45-Q49 WeakPolarHBondContact O-CG 3.41Å; S45-Q49 PolarHBondContact O-NE2 3.36Å; W46-Q49 WeakPolarHBondContact O-CB 3.38Å; W46-Q49 WeakPolarHBondContact O-CG 3.49Å; W46-Q49 PolarHBondContact O-N 2.88Å; I47-Q49 PolarHBondContact O-N 3.12Å; Q49-L51 PolarHBondContact O-N 2.91Å; Q49-L51 VanDerWaalsContact O-N 3.08Å; Q49-T52 HydrophobicContact CB-CG2 3.9Å; Q49-T52 PolarHBondContact O-N 2.79Å; Q49-T52 PolarHBondContact O-OG1 3.06Å; Q49-W95 HydrophobicContact CB-CH2 3.58Å; Q49-W95 HydrophobicContact CB-CZ2 3.91Å; Q49-W95 HydrophobicContact CB-CZ3 4.4Å; Q49-W95 HydrophobicContact CG-CH2 3.67Å; Q49-W95 HydrophobicContact CG-CZ2 3.72Å
50E94.1Very high91.7Very high112 Ų11261.1 Ų61.152%0.52333%0.327SS..THydrogen-bonded Turntrans-59.2-27.5-172.5-179.7176.4-171.800114.6K89 Y91E50-K89 IonicContact OE1-NZ 3.21Å; E50-K89 PolarHBondContact OE1-NZ 3.38Å; E50-K89 IonicContact OE2-NZ 3.71Å; E50-K89 PolarHBondContact OE2-NZ 3.28Å; E50-Y91 PolarHBondContact OE2-OH 3.41Å
51L97.1Very high92.4Very high6 Ų655.5 Ų55.53%0.03129%0.291CS..THydrogen-bonded Turntrans-100.6-10.4-176.1-60.7-177.5000114.2Q49 W63 Y86 Y91 W95 C98 A99 N102Q49-L51 PolarHBondContact O-N 2.91Å; Q49-L51 VanDerWaalsContact O-N 3.08Å; L51-W63 WeakPolarHBondContact O-CZ2 3.5Å; L51-Y86 HydrophobicContact CD2-CD1 3.61Å; L51-Y86 HydrophobicContact CD2-CE1 3.8Å; L51-Y91 HydrophobicContact CD1-CD1 3.71Å; L51-Y91 HydrophobicContact CD1-CD2 4.17Å; L51-Y91 HydrophobicContact CD1-CE1 3.64Å; L51-Y91 HydrophobicContact CD1-CE2 4.1Å; L51-Y91 HydrophobicContact CD1-CG 3.96Å; L51-Y91 HydrophobicContact CD2-CE1 4.45Å; L51-Y91 HydrophobicContact CD2-CE2 4.09Å; L51-Y91 HydrophobicContact CG-CE1 4.08Å; L51-W95 HydrophobicContact CB-CE3 4.07Å; L51-W95 HydrophobicContact CB-CZ3 4.28Å; L51-W95 HydrophobicContact CD1-CB 3.95Å; L51-W95 HydrophobicContact CD1-CD2 4.44Å; L51-W95 HydrophobicContact CD1-CE3 4.11Å; L51-W95 HydrophobicContact CD1-CG 4.39Å; L51-W95 WeakPolarHBondContact CD1-O 3.44Å; L51-C98 HydrophobicContact CB-CB 3.96Å; L51-C98 HydrophobicContact CD1-CB 4.02Å; L51-A99 HydrophobicContact CD1-CB 4.02Å; L51-N102 PolarHBondContact O-ND2 2.97Å
52T96.8Very high92.9Very high10 Ų1055.1 Ų55.16%0.06129%0.289CS..SBendtrans-83.8156.5178.854.60000110.4W46 Q49 N54 W63 W95W46-T52 HydrophobicContact CD2-CG2 4.13Å; W46-T52 HydrophobicContact CE3-CG2 4.41Å; W46-T52 HydrophobicContact CH2-CG2 4.18Å; W46-T52 HydrophobicContact CZ2-CG2 3.88Å; W46-T52 HydrophobicContact CZ3-CG2 4.42Å; W46-T52 PolarHBondContact O-OG1 3.48Å; Q49-T52 HydrophobicContact CB-CG2 3.9Å; Q49-T52 PolarHBondContact O-N 2.79Å; Q49-T52 PolarHBondContact O-OG1 3.06Å; T52-N54 PolarHBondContact O-N 3.26Å; T52-W63 HydrophobicContact CG2-CH2 4.13Å; T52-W63 HydrophobicContact CG2-CZ3 4.46Å; T52-W95 HydrophobicContact CG2-CH2 3.74Å; T52-W95 HydrophobicContact CG2-CZ3 3.73Å
53P95.2Very high93.5Very high18 Ų1851.4 Ų51.412%0.11727%0.269CS..  trans-59.5128171-21.130.7000111.4S60 W63P53-S60 WeakPolarHBondContact CB-OG 3.43Å; P53-W63 HydrophobicContact CG-CB 3.91Å; P53-W63 HydrophobicContact CG-CD2 3.57Å; P53-W63 HydrophobicContact CG-CE3 3.59Å; P53-W63 HydrophobicContact CG-CG 3.72Å; P53-W63 HydrophobicContact CG-CZ3 4.29Å
54N88.5Confident94.3Very high125 Ų12548.1 Ų48.167%0.66825%0.249SC*.  trans-101.96.3178.5661.9000113.5I47 T52I47-N54 HydrophobicContact CG2-CB 4.48Å; T52-N54 PolarHBondContact O-N 3.26Å
55V92.5Very high94.8Very high81 Ų8143.5 Ų43.549%0.49123%0.228SC..SBendtrans-123135.4175.5-179.40000108.5D57 S60V55-D57 HydrophobicContact CG1-CB 4.1Å; V55-D57 PolarHBondContact O-N 3.37Å; V55-D57 VanDerWaalsContact O-N 3.15Å; V55-S60 WeakPolarHBondContact O-CB 3.39Å; V55-S60 PolarHBondContact O-OG 3.18Å
56A94Very high95.4Very high56 Ų5642.7 Ų42.746%0.46322%0.223SC..  trans-86.975.2178.800000111F215A56-F215 VanDerWaalsContact C-CE1 3.47Å; A56-F215 HydrophobicContact CB-CB 4.49Å; A56-F215 HydrophobicContact CB-CD1 3.65Å; A56-F215 HydrophobicContact CB-CE1 3.92Å; A56-F215 HydrophobicContact CB-CG 4.08Å; A56-F215 WeakPolarHBondContact O-CE1 3.26Å
57D96.6Very high95.8Very high65 Ų6542.2 Ų42.235%0.34822%0.221SC..SBendtrans-127.4175.6-176.871.61.5000114V55 R59 S60 I61 F215V55-D57 HydrophobicContact CG1-CB 4.1Å; V55-D57 PolarHBondContact O-N 3.37Å; V55-D57 VanDerWaalsContact O-N 3.15Å; D57-R59 PolarHBondContact O-N 3.02Å; D57-R59 WeakPolarHBondContact OD1-CB 3.35Å; D57-R59 PolarHBondContact OD1-N 3.41Å; D57-S60 WeakPolarHBondContact O-CB 3.38Å; D57-S60 PolarHBondContact O-N 3.11Å; D57-S60 VanDerWaalsContact O-N 3.14Å; D57-S60 WeakPolarHBondContact OD1-CB 3.46Å; D57-S60 PolarHBondContact OD1-N 2.82Å; D57-S60 PolarHBondContact OD1-OG 3.16Å; D57-I61 PolarHBondContact O-N 2.87Å; D57-F215 WeakPolarHBondContact O-CZ 3.45Å
58E96.5Very high96.2Very high102 Ų10241 Ų4148%0.47722%0.215SC..Hα-helixtrans-62.4-30.8-179.2-56.9-172-172.700112.4S60 I61 E62 K163E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 2.95Å; E58-I61 WeakPolarHBondContact O-CB 3.19Å; E58-I61 PolarHBondContact O-N 3.43Å; E58-E62 PolarHBondContact O-N 3.36Å; E58-K163 HydrophobicContact CB-CD 4.44Å; E58-K163 VanDerWaalsContact CD-CE 3.49Å; E58-K163 HydrophobicContact CG-CD 4.03Å; E58-K163 WeakPolarHBondContact OE1-CE 3.42Å; E58-K163 IonicContact OE1-NZ 2.81Å; E58-K163 PolarHBondContact OE1-NZ 3.32Å; E58-K163 WeakPolarHBondContact OE2-CD 3.18Å; E58-K163 IonicContact OE2-NZ 3.47Å; E58-K163 PolarHBondContact OE2-NZ 3.23Å
59R97.5Very high96.6Very high90 Ų9035.8 Ų35.834%0.3419%0.187SC..Hα-helixtrans-66-36.4177.6-170.865.2174.8155.69.6111.5D57 I61 E62 W63 D110 L112D57-R59 PolarHBondContact O-N 3.02Å; D57-R59 WeakPolarHBondContact OD1-CB 3.35Å; D57-R59 PolarHBondContact OD1-N 3.41Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.25Å; R59-E62 PolarHBondContact O-N 3.29Å; R59-W63 PolarHBondContact O-N 3.06Å; R59-D110 IonicContact CZ-OD1 2.71Å; R59-D110 IonicContact CZ-OD2 2.83Å; R59-D110 VanDerWaalsContact NH1-CG 3.35Å; R59-D110 IonicContact NH1-OD1 3.64Å; R59-D110 PolarHBondContact NH1-OD1 3.28Å; R59-D110 IonicContact NH1-OD2 3.99Å; R59-D110 PolarHBondContact NH1-OD2 3.36Å; R59-D110 IonicContact NH2-OD1 3.62Å; R59-D110 PolarHBondContact NH2-OD1 3.27Å; R59-D110 IonicContact NH2-OD2 2.83Å; R59-D110 PolarHBondContact NH2-OD2 3.38Å; R59-L112 VanDerWaalsContact NH1-CB 3.32Å
60S98.1Very high96.8Very high7 Ų733.3 Ų33.35%0.04918%0.176CC..Hα-helixtrans-68.3-31.2178.1-570000112.4P53 V55 D57 E58 W63 I64P53-S60 WeakPolarHBondContact CB-OG 3.43Å; V55-S60 WeakPolarHBondContact O-CB 3.39Å; V55-S60 PolarHBondContact O-OG 3.18Å; D57-S60 WeakPolarHBondContact O-CB 3.38Å; D57-S60 PolarHBondContact O-N 3.11Å; D57-S60 VanDerWaalsContact O-N 3.14Å; D57-S60 WeakPolarHBondContact OD1-CB 3.46Å; D57-S60 PolarHBondContact OD1-N 2.82Å; D57-S60 PolarHBondContact OD1-OG 3.16Å; E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 2.95Å; S60-W63 PolarHBondContact O-N 2.94Å; S60-I64 WeakPolarHBondContact O-CB 3.42Å; S60-I64 WeakPolarHBondContact O-CD1 3.35Å; S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.37Å
61I98.6Very high97Very high0 Ų028.4 Ų28.40%015%0.153CC..Hα-helixtrans-60.6-48.6172.2-61.1171.5000110.5D57 E58 R59 I64 F65 F162 K163 L166 L211 F215 F220D57-I61 PolarHBondContact O-N 2.87Å; E58-I61 WeakPolarHBondContact O-CB 3.19Å; E58-I61 PolarHBondContact O-N 3.43Å; R59-I61 VanDerWaalsContact C-N 3.31Å; R59-I61 PolarHBondContact O-N 3.25Å; I61-I64 PolarHBondContact O-N 3.27Å; I61-F65 PolarHBondContact O-N 2.9Å; I61-F162 HydrophobicContact CG2-CD1 3.84Å; I61-K163 HydrophobicContact CD1-CB 4.29Å; I61-K163 HydrophobicContact CD1-CG 4.09Å; I61-K163 HydrophobicContact CG2-CB 4.37Å; I61-L166 HydrophobicContact CD1-CD2 4.14Å; I61-L166 HydrophobicContact CG1-CD2 4.46Å; I61-L166 HydrophobicContact CG2-CD2 4.12Å; I61-L211 HydrophobicContact CB-CD2 4.42Å; I61-L211 HydrophobicContact CG1-CD2 4.23Å; I61-L211 HydrophobicContact CG2-CD2 4.22Å; I61-F215 HydrophobicContact CD1-CE2 4.42Å; I61-F215 HydrophobicContact CD1-CZ 3.95Å; I61-F215 HydrophobicContact CG1-CE2 3.73Å; I61-F215 HydrophobicContact CG1-CZ 3.62Å; I61-F220 HydrophobicContact CD1-CB 3.91Å; I61-F220 HydrophobicContact CD1-CD1 4.15Å; I61-F220 HydrophobicContact CD1-CD2 3.86Å; I61-F220 HydrophobicContact CD1-CE2 4.42Å; I61-F220 HydrophobicContact CD1-CG 3.71Å
62E98.7Very high97.1Very high17 Ų1728.2 Ų28.28%0.07915%0.152CC..Hα-helixtrans-68.3-36.4179.6-55.3-57.5155.200111.6E58 R59 F65 V66 L112 S161 F162 K163E58-E62 PolarHBondContact O-N 3.36Å; R59-E62 PolarHBondContact O-N 3.29Å; E62-F65 PolarHBondContact O-N 2.74Å; E62-V66 WeakPolarHBondContact O-CG2 3.41Å; E62-V66 PolarHBondContact O-N 3.37Å; E62-L112 HydrophobicContact CB-CB 4.12Å; E62-S161 PolarHBondContact OE1-OG 3.22Å; E62-F162 PolarHBondContact OE1-N 2.78Å; E62-F162 VanDerWaalsContact OE2-CB 3.31Å; E62-F162 WeakPolarHBondContact OE2-CB 3.4Å; E62-F162 PolarHBondContact OE2-N 3.36Å; E62-F162 VanDerWaalsContact OE2-N 3.15Å; E62-K163 PolarHBondContact OE1-N 2.88Å
63W98.7Very high97.1Very high11 Ų1127.7 Ų27.74%0.04215%0.149CC..Hα-helixtrans-58-51.5172.5-170.2100.8000111.4W46 L51 T52 P53 R59 S60 F65 V66 T67 C98 N102 L112W46-W63 HydrophobicContact CH2-CZ3 4.4Å; W46-W63 HydrophobicContact CZ2-CZ3 4.21Å; L51-W63 WeakPolarHBondContact O-CZ2 3.5Å; T52-W63 HydrophobicContact CG2-CH2 4.13Å; T52-W63 HydrophobicContact CG2-CZ3 4.46Å; P53-W63 HydrophobicContact CG-CB 3.91Å; P53-W63 HydrophobicContact CG-CD2 3.57Å; P53-W63 HydrophobicContact CG-CE3 3.59Å; P53-W63 HydrophobicContact CG-CG 3.72Å; P53-W63 HydrophobicContact CG-CZ3 4.29Å; R59-W63 PolarHBondContact O-N 3.06Å; S60-W63 PolarHBondContact O-N 2.94Å; W63-F65 VanDerWaalsContact C-N 3.29Å; W63-F65 PolarHBondContact O-N 2.7Å; W63-V66 PolarHBondContact O-N 2.66Å; W63-T67 HydrophobicContact CD2-CG2 3.83Å; W63-T67 HydrophobicContact CE3-CG2 3.87Å; W63-T67 HydrophobicContact CH2-CG2 3.71Å; W63-T67 HydrophobicContact CZ2-CG2 3.66Å; W63-T67 HydrophobicContact CZ3-CG2 3.81Å; W63-T67 WeakPolarHBondContact CZ3-OG1 3.27Å; W63-T67 PolarHBondContact O-N 2.71Å; W63-T67 PolarHBondContact O-OG1 3.5Å; W63-T67 VanDerWaalsContact O-OG1 3.06Å; W63-C98 HydrophobicContact CH2-CB 4.26Å; W63-C98 HydrophobicContact CZ2-CB 3.92Å; W63-N102 PolarHBondContact NE1-OD1 2.83Å; W63-L112 HydrophobicContact CB-CD1 3.69Å; W63-L112 HydrophobicContact CB-CD2 4.29Å; W63-L112 HydrophobicContact CG-CD1 4.22Å
64I98.7Very high97.2Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-61.8-39.8-179.6-70162.6000110.8W46 S60 I61 T67 S68 L207 D210 L211 C214W46-I64 HydrophobicContact CH2-CD1 3.88Å; W46-I64 HydrophobicContact CH2-CG1 3.88Å; W46-I64 HydrophobicContact CZ2-CD1 4.46Å; W46-I64 HydrophobicContact CZ2-CG1 4.18Å; S60-I64 WeakPolarHBondContact O-CB 3.42Å; S60-I64 WeakPolarHBondContact O-CD1 3.35Å; S60-I64 WeakPolarHBondContact O-CG1 3.43Å; S60-I64 PolarHBondContact O-N 3.37Å; I61-I64 PolarHBondContact O-N 3.27Å; I64-T67 PolarHBondContact O-OG1 3.41Å; I64-S68 WeakPolarHBondContact O-CB 3.36Å; I64-S68 PolarHBondContact O-N 3.01Å; I64-S68 PolarHBondContact O-OG 2.93Å; I64-L207 HydrophobicContact CG2-CG 4.46Å; I64-D210 HydrophobicContact CG1-CB 4.36Å; I64-D210 HydrophobicContact CG2-CB 3.6Å; I64-L211 HydrophobicContact CB-CD2 4.39Å; I64-L211 HydrophobicContact CD1-CD2 4.01Å; I64-L211 HydrophobicContact CG2-CD2 4.2Å; I64-L211 HydrophobicContact CG2-CG 4.08Å; I64-C214 HydrophobicContact CD1-CB 3.5Å
65F98.8Very high97.5Very high0 Ų021.8 Ų21.80%012%0.115CC..Hα-helixtrans-59.9-52.4176179.2-108.2000111.6I61 E62 W63 S68 L69 A150 L154 F162 L180 F184 F187 L207I61-F65 PolarHBondContact O-N 2.9Å; E62-F65 PolarHBondContact O-N 2.74Å; W63-F65 VanDerWaalsContact C-N 3.29Å; W63-F65 PolarHBondContact O-N 2.7Å; F65-S68 PolarHBondContact O-N 3.28Å; F65-L69 HydrophobicContact CE1-CD2 4.32Å; F65-L69 WeakPolarHBondContact O-CB 3.36Å; F65-L69 PolarHBondContact O-N 3.03Å; F65-A150 HydrophobicContact CE1-CB 4.07Å; F65-A150 HydrophobicContact CZ-CB 3.97Å; F65-L154 HydrophobicContact CD1-CD1 4.19Å; F65-L154 HydrophobicContact CE1-CD1 3.66Å; F65-L154 HydrophobicContact CZ-CD1 4.24Å; F65-F162 HydrophobicContact CB-CB 4.04Å; F65-F162 HydrophobicContact CB-CD1 3.71Å; F65-F162 HydrophobicContact CB-CE1 4.32Å; F65-F162 HydrophobicContact CB-CG 3.82Å; F65-F162 HydrophobicContact CD1-CB 4.17Å; F65-F162 HydrophobicContact CD1-CG 4.33Å; F65-F162 HydrophobicContact CD2-CB 4.17Å; F65-F162 AromaticContact CD2-CD1 3.8Å; F65-F162 HydrophobicContact CD2-CD1 3.8Å; F65-F162 AromaticContact CD2-CD2 3.25Å; F65-F162 HydrophobicContact CD2-CD2 3.25Å; F65-F162 AromaticContact CD2-CE1 3.97Å; F65-F162 HydrophobicContact CD2-CE1 3.97Å; F65-F162 AromaticContact CD2-CE2 3.45Å; F65-F162 HydrophobicContact CD2-CE2 3.45Å; F65-F162 VanDerWaalsContact CD2-CE2 3.45Å; F65-F162 AromaticContact CD2-CG 3.44Å; F65-F162 HydrophobicContact CD2-CG 3.44Å; F65-F162 VanDerWaalsContact CD2-CG 3.44Å; F65-F162 AromaticContact CD2-CZ 3.8Å; F65-F162 HydrophobicContact CD2-CZ 3.8Å; F65-F162 AromaticContact CE2-CD2 3.44Å; F65-F162 HydrophobicContact CE2-CD2 3.44Å; F65-F162 VanDerWaalsContact CE2-CD2 3.44Å; F65-F162 AromaticContact CE2-CE2 3.58Å; F65-F162 HydrophobicContact CE2-CE2 3.58Å; F65-F162 HydrophobicContact CE2-CG 4.08Å; F65-F162 HydrophobicContact CE2-CZ 4.31Å; F65-F162 HydrophobicContact CG-CB 3.85Å; F65-F162 AromaticContact CG-CD1 3.95Å; F65-F162 HydrophobicContact CG-CD1 3.95Å; F65-F162 AromaticContact CG-CD2 3.86Å; F65-F162 HydrophobicContact CG-CD2 3.86Å; F65-F162 HydrophobicContact CG-CE2 4.42Å; F65-F162 AromaticContact CG-CG 3.59Å; F65-F162 HydrophobicContact CG-CG 3.59Å; F65-F162 HydrophobicContact CZ-CD2 4.17Å; F65-L180 HydrophobicContact CE2-CD2 4.41Å; F65-F184 HydrophobicContact CE2-CD1 4.41Å; F65-F184 HydrophobicContact CE2-CE1 4.2Å; F65-F184 HydrophobicContact CE2-CZ 4.35Å; F65-F184 AromaticContact CZ-CD1 3.91Å; F65-F184 HydrophobicContact CZ-CD1 3.91Å; F65-F184 AromaticContact CZ-CE1 3.59Å; F65-F184 HydrophobicContact CZ-CE1 3.59Å; F65-F184 HydrophobicContact CZ-CZ 4.09Å; F65-F187 HydrophobicContact CE2-CE2 4.13Å; F65-F187 HydrophobicContact CE2-CZ 4.38Å; F65-L207 HydrophobicContact CD2-CD1 3.83Å; F65-L207 HydrophobicContact CE2-CD1 4.45Å
66V98.7Very high97.5Very high0 Ų018.2 Ų18.20%09%0.094CC..Hα-helixtrans-65.2-44.2-178171.20000111.7E62 W63 S68 L69 L70 V101 L112 Y117 L147E62-V66 WeakPolarHBondContact O-CG2 3.41Å; E62-V66 PolarHBondContact O-N 3.37Å; W63-V66 PolarHBondContact O-N 2.66Å; V66-S68 PolarHBondContact O-N 3.47Å; V66-L69 PolarHBondContact O-N 3.39Å; V66-L70 HydrophobicContact CG1-CD1 4.28Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 2.92Å; V66-L70 VanDerWaalsContact O-N 3.16Å; V66-V101 HydrophobicContact CG1-CG2 4.49Å; V66-L112 HydrophobicContact CB-CD2 3.8Å; V66-L112 HydrophobicContact CG1-CD2 4.19Å; V66-L112 HydrophobicContact CG2-CD2 3.87Å; V66-Y117 HydrophobicContact CG2-CD1 4.38Å; V66-Y117 HydrophobicContact CG2-CE1 3.92Å; V66-L147 HydrophobicContact CG1-CD2 4.29Å
67T98.6Very high97.2Very high0 Ų020.1 Ų20.10%010%0.096CC..Hα-helixtrans-66.5-39.5178.354.50000111.7W63 I64 L70 N71 V101W63-T67 HydrophobicContact CD2-CG2 3.83Å; W63-T67 HydrophobicContact CE3-CG2 3.87Å; W63-T67 HydrophobicContact CH2-CG2 3.71Å; W63-T67 HydrophobicContact CZ2-CG2 3.66Å; W63-T67 HydrophobicContact CZ3-CG2 3.81Å; W63-T67 WeakPolarHBondContact CZ3-OG1 3.27Å; W63-T67 PolarHBondContact O-N 2.71Å; W63-T67 PolarHBondContact O-OG1 3.5Å; W63-T67 VanDerWaalsContact O-OG1 3.06Å; I64-T67 PolarHBondContact O-OG1 3.41Å; T67-L70 CarbonylContact O-C 3.57Å; T67-L70 PolarHBondContact O-N 3.33Å; T67-N71 VanDerWaalsContact O-CB 3.3Å; T67-N71 WeakPolarHBondContact O-CB 3.48Å; T67-N71 PolarHBondContact O-N 2.97Å; T67-V101 HydrophobicContact CG2-CG2 4.35Å
68S98.6Very high96.7Very high0 Ų019.3 Ų19.30%010%0.096CC..Hα-helixtrans-67-41.5176.9-62.90000112I64 F65 V66 L70 N71 R203 L207I64-S68 WeakPolarHBondContact O-CB 3.36Å; I64-S68 PolarHBondContact O-N 3.01Å; I64-S68 PolarHBondContact O-OG 2.93Å; F65-S68 PolarHBondContact O-N 3.28Å; V66-S68 PolarHBondContact O-N 3.47Å; S68-L70 PolarHBondContact O-N 3Å; S68-N71 WeakPolarHBondContact O-CB 3.41Å; S68-N71 PolarHBondContact O-N 3.36Å; S68-N71 VanDerWaalsContact O-N 3.12Å; S68-R203 VanDerWaalsContact O-CD 3.28Å; S68-R203 WeakPolarHBondContact O-CD 3.38Å; S68-L207 WeakPolarHBondContact OG-CA 3.38Å
69L98.6Very high96.2Very high0 Ų026 Ų260%012%0.118CC..Hα-helixtrans-56.1-34.3174.317865.4000111.5F65 V66 F72 A146 L147 A150 S186 F187 R203F65-L69 HydrophobicContact CE1-CD2 4.32Å; F65-L69 WeakPolarHBondContact O-CB 3.36Å; F65-L69 PolarHBondContact O-N 3.03Å; V66-L69 PolarHBondContact O-N 3.39Å; L69-F72 WeakPolarHBondContact O-CE1 3.32Å; L69-A146 HydrophobicContact CD1-CB 4.05Å; L69-A146 HydrophobicContact CG-CB 4.15Å; L69-L147 HydrophobicContact CD2-CD2 4.13Å; L69-A150 HydrophobicContact CD1-CB 4.18Å; L69-A150 HydrophobicContact CD2-CB 3.51Å; L69-S186 WeakPolarHBondContact CD1-OG 3.19Å; L69-F187 HydrophobicContact CB-CZ 4.29Å; L69-F187 HydrophobicContact CD1-CE2 3.89Å; L69-F187 HydrophobicContact CD1-CZ 4.23Å; L69-R203 PolarHBondContact O-NH1 3.38Å
70L98.7Very high96Very high0 Ų024.9 Ų24.90%012%0.121CC..THydrogen-bonded Turntrans-100.45.8-178.4-60.2-179.4000113.8V66 T67 S68 F72 L97 F129 R143 A146 L147V66-L70 HydrophobicContact CG1-CD1 4.28Å; V66-L70 WeakPolarHBondContact O-CG 3.41Å; V66-L70 PolarHBondContact O-N 2.92Å; V66-L70 VanDerWaalsContact O-N 3.16Å; T67-L70 CarbonylContact O-C 3.57Å; T67-L70 PolarHBondContact O-N 3.33Å; S68-L70 PolarHBondContact O-N 3Å; L70-F72 VanDerWaalsContact C-CD1 3.49Å; L70-F72 WeakPolarHBondContact O-CD1 3.38Å; L70-F72 PolarHBondContact O-N 3.29Å; L70-L97 HydrophobicContact CB-CD1 3.8Å; L70-L97 HydrophobicContact CB-CD2 3.65Å; L70-L97 HydrophobicContact CB-CG 4.37Å; L70-L97 HydrophobicContact CD1-CD1 3.88Å; L70-L97 WeakPolarHBondContact O-CD2 3.18Å; L70-F129 HydrophobicContact CD1-CE2 4.42Å; L70-F129 HydrophobicContact CD1-CZ 3.73Å; L70-R143 HydrophobicContact CD2-CB 3.81Å; L70-R143 HydrophobicContact CD2-CG 3.96Å; L70-R143 PolarHBondContact O-NH1 3.27Å; L70-A146 HydrophobicContact CD2-CB 4.38Å; L70-L147 HydrophobicContact CD1-CD1 4.33Å; L70-L147 HydrophobicContact CD1-CD2 4.12Å; L70-L147 HydrophobicContact CD1-CG 4.34Å; L70-L147 HydrophobicContact CD2-CD2 4.48Å; L70-L147 HydrophobicContact CD2-CG 4.18Å; L70-L147 HydrophobicContact CG-CD2 4.46Å
71N98.4Very high95.8Very high9 Ų927.9 Ų27.95%0.04814%0.137CC..  trans-82.770.6-173.3-167.1-12.5000113.5T67 S68 F74 Y94 K202 R203T67-N71 VanDerWaalsContact O-CB 3.3Å; T67-N71 WeakPolarHBondContact O-CB 3.48Å; T67-N71 PolarHBondContact O-N 2.97Å; S68-N71 WeakPolarHBondContact O-CB 3.41Å; S68-N71 PolarHBondContact O-N 3.36Å; S68-N71 VanDerWaalsContact O-N 3.12Å; N71-F74 WeakPolarHBondContact OD1-CE2 3.34Å; N71-Y94 HydrophobicContact CB-CD2 4.38Å; N71-Y94 HydrophobicContact CB-CE2 4.37Å; N71-Y94 WeakPolarHBondContact ND2-CE2 3.41Å; N71-K202 PolarHBondContact O-NZ 2.87Å; N71-K202 PolarHBondContact OD1-NZ 3.4Å; N71-R203 HydrophobicContact CB-CG 4.48Å; N71-R203 WeakPolarHBondContact O-CG 3.4Å
72F98.4Very high95.8Very high1 Ų128 Ų280%0.00414%0.137CC..SBendtrans-150.8149.6179.159-85.1000114.4L69 L70 F74 L139 E142 R143 I327 Y329L69-F72 WeakPolarHBondContact O-CE1 3.32Å; L70-F72 VanDerWaalsContact C-CD1 3.49Å; L70-F72 WeakPolarHBondContact O-CD1 3.38Å; L70-F72 PolarHBondContact O-N 3.29Å; F72-F74 PolarHBondContact O-N 3.38Å; F72-L139 HydrophobicContact CD2-CD1 3.9Å; F72-L139 HydrophobicContact CE2-CB 3.87Å; F72-L139 HydrophobicContact CE2-CD1 3.87Å; F72-E142 HydrophobicContact CE2-CB 4.37Å; F72-E142 HydrophobicContact CZ-CB 4.4Å; F72-R143 HydrophobicContact CE1-CG 4.15Å; F72-R143 HydrophobicContact CE2-CG 4.16Å; F72-R143 HydrophobicContact CZ-CG 3.53Å; F72-R143 PolarHBondContact O-NH2 2.98Å; F72-I327 WeakPolarHBondContact CB-O 3.23Å; F72-I327 WeakPolarHBondContact CD1-O 3.48Å; F72-I327 HydrophobicContact CD2-CB 4.25Å; F72-I327 HydrophobicContact CD2-CG2 4.46Å; F72-I327 HydrophobicContact CE2-CB 4.16Å; F72-I327 HydrophobicContact CE2-CG2 4.02Å; F72-I327 WeakPolarHBondContact CG-O 3.48Å; F72-I327 HydrophobicContact CZ-CB 4.48Å; F72-I327 HydrophobicContact CZ-CG2 4.47Å; F72-Y329 CarbonylContact C-O 3.19Å; F72-Y329 VanDerWaalsContact CA-C 3.41Å; F72-Y329 WeakPolarHBondContact CA-O 3.48Å; F72-Y329 WeakPolarHBondContact CA-OXT 3.42Å
73S97Very high95.7Very high0 Ų029.5 Ų29.50%014%0.144CC..  trans46.756.8163.5-78.80000115.6P138 R325 C326 Y329S73-P138 WeakPolarHBondContact O-CB 3.42Å; S73-R325 PolarHBondContact O-NH1 2.96Å; S73-C326 WeakPolarHBondContact CB-O 3.36Å; S73-C326 PolarHBondContact OG-N 3.17Å; S73-C326 PolarHBondContact OG-O 3.12Å; S73-Y329 VanDerWaalsContact N-C 3.34Å; S73-Y329 PolarHBondContact N-O 2.86Å; S73-Y329 PolarHBondContact N-OXT 2.97Å; S73-Y329 PolarHBondContact OG-O 3.32Å
74F97Very high95.7Very high10 Ų1029 Ų294%0.04414%0.142CC..  trans-83.3-11-179-59.9-71.1000115.3N71 F72 Y94 L97N71-F74 WeakPolarHBondContact OD1-CE2 3.34Å; F72-F74 PolarHBondContact O-N 3.38Å; F74-Y94 HydrophobicContact CE2-CD2 4.19Å; F74-Y94 HydrophobicContact CZ-CD2 4.19Å; F74-L97 HydrophobicContact CE1-CB 3.72Å; F74-L97 HydrophobicContact CE1-CD2 4Å; F74-L97 HydrophobicContact CE1-CG 4.43Å; F74-L97 HydrophobicContact CZ-CB 4.04Å; F74-L97 HydrophobicContact CZ-CD2 3.68Å
75W94.9Very high95.7Very high8 Ų831.4 Ų31.43%0.0316%0.158CC..  trans-72.2151.8179.759.9-91.3000111.5N77 Y235 E262 M321 R323 T324 R325W75-N77 WeakPolarHBondContact CZ3-OD1 3.13Å; W75-Y235 AromaticContact CD1-CE1 3.7Å; W75-Y235 AromaticContact CD1-CZ 3.86Å; W75-E262 HydrophobicContact CH2-CG 4.05Å; W75-M321 HydrophobicContact CB-CE 3.26Å; W75-M321 HydrophobicContact CB-SD 4.31Å; W75-M321 HydrophobicContact CD2-CE 4.46Å; W75-M321 HydrophobicContact CG-CE 3.81Å; W75-R323 HydrophobicContact CD2-CG 4.43Å; W75-R323 HydrophobicContact CE3-CG 4.17Å; W75-R323 HydrophobicContact CH2-CB 3.85Å; W75-R323 HydrophobicContact CH2-CG 4.34Å; W75-R323 HydrophobicContact CZ2-CB 3.98Å; W75-R323 HydrophobicContact CZ3-CB 4.13Å; W75-R323 HydrophobicContact CZ3-CG 4.12Å; W75-T324 PolarHBondContact NE1-O 2.72Å; W75-R325 HydrophobicContact CH2-CB 4.35Å; W75-R325 HydrophobicContact CZ2-CB 3.93Å; W75-R325 PolarHBondContact O-NH1 2.95Å; W75-R325 VanDerWaalsContact O-NH1 3.11Å; W75-R325 PolarHBondContact O-NH2 3.41Å
76S92.4Very high95.6Very high6 Ų633.2 Ų33.24%0.04217%0.165CC..  trans-110.2155.8176.7-1780000112.1S78 E135S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact OG-N 3.26Å; S76-S78 PolarHBondContact OG-OG 2.98Å; S76-S78 VanDerWaalsContact OG-OG 3.13Å; S76-E135 WeakPolarHBondContact CB-OE1 3.34Å; S76-E135 PolarHBondContact OG-OE1 2.92Å; S76-E135 PolarHBondContact OG-OE2 2.96Å
77N87.3Confident95.4Very high96 Ų9636.7 Ų36.751%0.51319%0.189SC..SBendtrans-84.6-8.8167-83.8-39.4000112.9W75 E262W75-N77 WeakPolarHBondContact CZ3-OD1 3.13Å; N77-E262 PolarHBondContact ND2-OE1 3.06Å; N77-E262 PolarHBondContact OD1-OE1 3.22Å
78S85.9Confident95.2Very high49 Ų4945.2 Ų45.234%0.34323%0.234SC..SBendtrans-96.4172.4178.381.80000111.8S76 V80 E135S76-S78 VanDerWaalsContact C-N 3.34Å; S76-S78 PolarHBondContact OG-N 3.26Å; S76-S78 PolarHBondContact OG-OG 2.98Å; S76-S78 VanDerWaalsContact OG-OG 3.13Å; S78-V80 PolarHBondContact O-N 3.4Å; S78-V80 PolarHBondContact OG-N 3.16Å; S78-V80 PolarHBondContact OG-O 3.45Å; S78-E135 PolarHBondContact OG-OE2 3.42Å
79Y86.3Confident95.2Very high242 Ų24249.9 Ų49.995%0.94926%0.255SS*.SBendtrans-76-11.8176.9-67.3-75.8000113.4
80V93.2Very high95.1Very high67 Ų6753.6 Ų53.641%0.40628%0.277SS..SBendtrans-114.4145.1-179.8-70.40000109.4S78 T133 E135S78-V80 PolarHBondContact O-N 3.4Å; S78-V80 PolarHBondContact OG-N 3.16Å; S78-V80 PolarHBondContact OG-O 3.45Å; V80-T133 HydrophobicContact CB-CG2 4.46Å; V80-E135 HydrophobicContact CG2-CB 4.16Å
81N95Very high95.1Very high69 Ų6954.7 Ų54.737%0.36928%0.281SS..  trans-97.7161.7-178.5-66.9-65.7000111.1E83 T92 T133N81-E83 HydrophobicContact CB-CG 4.47Å; N81-E83 PolarHBondContact O-N 3.14Å; N81-T92 HydrophobicContact CB-CG2 4.12Å; N81-T133 PolarHBondContact O-OG1 2.89Å
82F97.3Very high95Very high4 Ų457.1 Ų57.12%0.01830%0.297CS..  trans-60.3119159.2173.2-117.1000109.2V84 A96 F129 I137F82-V84 HydrophobicContact CE1-CG2 3.65Å; F82-V84 HydrophobicContact CE2-CG2 3.78Å; F82-V84 HydrophobicContact CZ-CG2 3.21Å; F82-A96 HydrophobicContact CD1-CB 3.65Å; F82-A96 HydrophobicContact CE1-CB 3.59Å; F82-F129 WeakPolarHBondContact CE2-O 3.5Å; F82-F129 HydrophobicContact CZ-CB 4.39Å; F82-I137 HydrophobicContact CD1-CB 4.1Å; F82-I137 HydrophobicContact CD1-CD1 4.36Å; F82-I137 HydrophobicContact CD1-CG1 3.89Å; F82-I137 HydrophobicContact CD2-CB 3.94Å; F82-I137 HydrophobicContact CE1-CB 3.98Å; F82-I137 HydrophobicContact CE1-CD1 3.81Å; F82-I137 HydrophobicContact CE1-CG1 3.79Å; F82-I137 HydrophobicContact CE2-CB 3.85Å; F82-I137 HydrophobicContact CG-CB 4.07Å; F82-I137 HydrophobicContact CG-CG1 4.29Å; F82-I137 HydrophobicContact CZ-CB 3.84Å; F82-I137 HydrophobicContact CZ-CD1 4.14Å; F82-I137 HydrophobicContact CZ-CG1 4.14Å
83E98Very high94.9Very high47 Ų4758.1 Ų58.122%0.2231%0.307CS..EExtended strand (participates in β ladder)trans-129.7128.5-171.8-81.3176.4-15500111.1N81 V90 Y91 T92 S131 H132 T133N81-E83 HydrophobicContact CB-CG 4.47Å; N81-E83 PolarHBondContact O-N 3.14Å; E83-V90 HydrophobicContact CB-CG1 3.76Å; E83-V90 HydrophobicContact CG-CG1 3.98Å; E83-Y91 CarbonylContact C-O 3.55Å; E83-Y91 VanDerWaalsContact CA-O 3.31Å; E83-Y91 WeakPolarHBondContact CA-O 3.49Å; E83-T92 HydrophobicContact CG-CG2 3.61Å; E83-S131 PolarHBondContact N-OG 2.94Å; E83-S131 VanDerWaalsContact N-OG 3.09Å; E83-S131 CarbonylContact O-C 3.37Å; E83-S131 VanDerWaalsContact O-CA 3.29Å; E83-S131 WeakPolarHBondContact O-CA 3.31Å; E83-S131 PolarHBondContact O-OG 3.33Å; E83-H132 HydrophobicContact CB-CB 4.33Å; E83-H132 PolarHBondContact O-N 3.2Å; E83-T133 HydrophobicContact CB-CG2 3.98Å; E83-T133 VanDerWaalsContact CD-CG2 3.5Å; E83-T133 HydrophobicContact CG-CG2 4.07Å; E83-T133 WeakPolarHBondContact OE2-CG2 3.38Å
84V98.4Very high94.9Very high0 Ų059.2 Ų59.20%031%0.311CS..EExtended strand (participates in β ladder)trans-119.4114.9-178.4176.70000110F82 Y91 A96 A99 A100F82-V84 HydrophobicContact CE1-CG2 3.65Å; F82-V84 HydrophobicContact CE2-CG2 3.78Å; F82-V84 HydrophobicContact CZ-CG2 3.21Å; V84-Y91 PolarHBondContact N-O 3.23Å; V84-Y91 PolarHBondContact O-N 2.88Å; V84-A96 HydrophobicContact CB-CB 4.19Å; V84-A96 HydrophobicContact CG2-CB 3.97Å; V84-A96 WeakPolarHBondContact CG2-O 3.45Å; V84-A99 HydrophobicContact CB-CB 4.12Å; V84-A99 HydrophobicContact CG1-CB 3.68Å; V84-A100 HydrophobicContact CG1-CB 4.18Å; V84-A100 HydrophobicContact CG2-CB 4.16Å
85P97.5Very high94.9Very high51 Ų5159.5 Ų59.533%0.33131%0.312SS..EExtended strand (participates in β ladder)trans-77.7127.1172.529.6-29.4000109.6K89 V90 H132P85-K89 CarbonylContact C-O 3.59Å; P85-K89 VanDerWaalsContact CA-O 3.3Å; P85-K89 WeakPolarHBondContact CA-O 3.43Å; P85-V90 HydrophobicContact CB-CG2 4.4Å; P85-H132 HydrophobicContact CG-CB 4.27Å
86Y98Very high95Very high39 Ų3959.1 Ų59.115%0.15331%0.311CS..EExtended strand (participates in β ladder)trans-155.6136.7179-175.3-114.8000110.1L51 N88 K89 Y91 A99 N102 R103 D106L51-Y86 HydrophobicContact CD2-CD1 3.61Å; L51-Y86 HydrophobicContact CD2-CE1 3.8Å; Y86-N88 VanDerWaalsContact C-N 3.34Å; Y86-N88 PolarHBondContact O-N 2.99Å; Y86-K89 PolarHBondContact N-O 3.31Å; Y86-K89 PolarHBondContact O-N 2.89Å; Y86-K89 VanDerWaalsContact O-O 3.05Å; Y86-Y91 HydrophobicContact CD1-CE2 4.4Å; Y86-Y91 WeakPolarHBondContact O-CE2 3.3Å; Y86-A99 HydrophobicContact CD1-CB 4.3Å; Y86-A99 HydrophobicContact CG-CB 4.25Å; Y86-N102 HydrophobicContact CE1-CB 3.78Å; Y86-N102 HydrophobicContact CE2-CB 4.26Å; Y86-R103 HydrophobicContact CD2-CB 3.76Å; Y86-R103 HydrophobicContact CD2-CG 4.39Å; Y86-R103 HydrophobicContact CE2-CB 4.07Å; Y86-D106 WeakPolarHBondContact CE2-OD2 3.39Å; Y86-D106 VanDerWaalsContact CZ-OD2 3.31Å; Y86-D106 PolarHBondContact OH-OD2 3.45Å
87C94.7Very high95.3Very high73 Ų7358.8 Ų58.849%0.49331%0.309SS..THydrogen-bonded Turntrans45.549.5-179.4-64.20000114.8K89C87-K89 PolarHBondContact O-N 3.26Å
88N94.3Very high95.9Very high179 Ų17954.2 Ų54.296%0.95728%0.284SS*.THydrogen-bonded Turntrans62.715.6-179.6-54.1-48.3000115.8Y86Y86-N88 VanDerWaalsContact C-N 3.34Å; Y86-N88 PolarHBondContact O-N 2.99Å
89K97.3Very high96.5Very high98 Ų9851.9 Ų51.943%0.42627%0.268SS..EExtended strand (participates in β ladder)trans-124.7158.6173.9-69.2171.1179.9158.80110E50 P85 Y86 C87 Y91E50-K89 IonicContact OE1-NZ 3.21Å; E50-K89 PolarHBondContact OE1-NZ 3.38Å; E50-K89 IonicContact OE2-NZ 3.71Å; E50-K89 PolarHBondContact OE2-NZ 3.28Å; P85-K89 CarbonylContact C-O 3.59Å; P85-K89 VanDerWaalsContact CA-O 3.3Å; P85-K89 WeakPolarHBondContact CA-O 3.43Å; Y86-K89 PolarHBondContact N-O 3.31Å; Y86-K89 PolarHBondContact O-N 2.89Å; Y86-K89 VanDerWaalsContact O-O 3.05Å; C87-K89 PolarHBondContact O-N 3.26Å; K89-Y91 HydrophobicContact CB-CD2 4.49Å; K89-Y91 HydrophobicContact CB-CE2 3.79Å; K89-Y91 WeakPolarHBondContact CD-OH 3.49Å
90V97.3Very high97.1Very high77 Ų7740.4 Ų40.447%0.46722%0.223SC..EExtended strand (participates in β ladder)trans-112.5125.9173-177.60000107.9E83 P85E83-V90 HydrophobicContact CB-CG1 3.76Å; E83-V90 HydrophobicContact CG-CG1 3.98Å; P85-V90 HydrophobicContact CB-CG2 4.4Å
91Y97.6Very high97.3Very high24 Ų2437.2 Ų37.29%0.09420%0.203CC..EExtended strand (participates in β ladder)trans-109.5146.7-176.7-63-82.9000111.3E50 L51 E83 V84 Y86 K89 W95 A96 A99E50-Y91 PolarHBondContact OE2-OH 3.41Å; L51-Y91 HydrophobicContact CD1-CD1 3.71Å; L51-Y91 HydrophobicContact CD1-CD2 4.17Å; L51-Y91 HydrophobicContact CD1-CE1 3.64Å; L51-Y91 HydrophobicContact CD1-CE2 4.1Å; L51-Y91 HydrophobicContact CD1-CG 3.96Å; L51-Y91 HydrophobicContact CD2-CE1 4.45Å; L51-Y91 HydrophobicContact CD2-CE2 4.09Å; L51-Y91 HydrophobicContact CG-CE1 4.08Å; E83-Y91 CarbonylContact C-O 3.55Å; E83-Y91 VanDerWaalsContact CA-O 3.31Å; E83-Y91 WeakPolarHBondContact CA-O 3.49Å; V84-Y91 PolarHBondContact N-O 3.23Å; V84-Y91 PolarHBondContact O-N 2.88Å; Y86-Y91 HydrophobicContact CD1-CE2 4.4Å; Y86-Y91 WeakPolarHBondContact O-CE2 3.3Å; K89-Y91 HydrophobicContact CB-CD2 4.49Å; K89-Y91 HydrophobicContact CB-CE2 3.79Å; K89-Y91 WeakPolarHBondContact CD-OH 3.49Å; Y91-W95 HydrophobicContact CD1-CB 3.78Å; Y91-W95 HydrophobicContact CG-CB 4.28Å; Y91-A96 WeakPolarHBondContact O-CB 3.34Å; Y91-A99 HydrophobicContact CD2-CB 3.61Å; Y91-A99 HydrophobicContact CE2-CB 4.3Å; Y91-A99 HydrophobicContact CG-CB 4.08Å
92T96.7Very high97.5Very high60 Ų6035 Ų3537%0.36819%0.192SC..EExtended strand (participates in β ladder)trans-123.6166.4174.355.90000110.7N81 E83 W95 A96N81-T92 HydrophobicContact CB-CG2 4.12Å; E83-T92 HydrophobicContact CG-CG2 3.61Å; T92-W95 PolarHBondContact O-N 3.42Å; T92-A96 PolarHBondContact O-N 2.96Å
93G95.9Very high97.5Very high22 Ų2235.7 Ų35.723%0.22719%0.194CC..Hα-helixtrans65.3-142.7173.700000113W95 A96 L97G93-W95 PolarHBondContact O-N 3.01Å; G93-A96 WeakPolarHBondContact O-CB 3.37Å; G93-A96 PolarHBondContact O-N 3.35Å; G93-A96 VanDerWaalsContact O-N 3.08Å; G93-L97 PolarHBondContact O-N 3.17Å
94Y97Very high97.6Very high23 Ų2333.5 Ų33.59%0.0918%0.184CC..Hα-helixtrans-57.5-34.8174.6171.4-109.7000113.2N71 F74 A96 L97 C98 W305N71-Y94 HydrophobicContact CB-CD2 4.38Å; N71-Y94 HydrophobicContact CB-CE2 4.37Å; N71-Y94 WeakPolarHBondContact ND2-CE2 3.41Å; F74-Y94 HydrophobicContact CE2-CD2 4.19Å; F74-Y94 HydrophobicContact CZ-CD2 4.19Å; Y94-A96 VanDerWaalsContact C-N 3.31Å; Y94-A96 PolarHBondContact O-N 3.23Å; Y94-L97 HydrophobicContact CD2-CD2 4.4Å; Y94-L97 WeakPolarHBondContact O-CB 3.28Å; Y94-L97 PolarHBondContact O-N 3.39Å; Y94-C98 VanDerWaalsContact CE1-SG 3.57Å; Y94-C98 PolarHBondContact O-N 3.44Å; Y94-C98 VanDerWaalsContact O-N 3.09Å; Y94-C98 PolarHBondContact O-SG 3.46Å; Y94-W305 HydrophobicContact CD1-CH2 4.23Å; Y94-W305 HydrophobicContact CD1-CZ2 4.13Å
95W97.5Very high97.5Very high15 Ų1536 Ų366%0.05720%0.196CC..Hα-helixtrans-71.1-26.9177.3-68.1151.6000113Q49 L51 T52 Y91 T92 G93 L97 C98 A99 W305Q49-W95 HydrophobicContact CB-CH2 3.58Å; Q49-W95 HydrophobicContact CB-CZ2 3.91Å; Q49-W95 HydrophobicContact CB-CZ3 4.4Å; Q49-W95 HydrophobicContact CG-CH2 3.67Å; Q49-W95 HydrophobicContact CG-CZ2 3.72Å; L51-W95 HydrophobicContact CB-CE3 4.07Å; L51-W95 HydrophobicContact CB-CZ3 4.28Å; L51-W95 HydrophobicContact CD1-CB 3.95Å; L51-W95 HydrophobicContact CD1-CD2 4.44Å; L51-W95 HydrophobicContact CD1-CE3 4.11Å; L51-W95 HydrophobicContact CD1-CG 4.39Å; L51-W95 WeakPolarHBondContact CD1-O 3.44Å; T52-W95 HydrophobicContact CG2-CH2 3.74Å; T52-W95 HydrophobicContact CG2-CZ3 3.73Å; Y91-W95 HydrophobicContact CD1-CB 3.78Å; Y91-W95 HydrophobicContact CG-CB 4.28Å; T92-W95 PolarHBondContact O-N 3.42Å; G93-W95 PolarHBondContact O-N 3.01Å; W95-L97 VanDerWaalsContact C-N 3.31Å; W95-C98 HydrophobicContact CE3-CB 3.97Å; W95-C98 HydrophobicContact CZ3-CB 4.5Å; W95-C98 PolarHBondContact O-N 3.47Å; W95-A99 VanDerWaalsContact O-CB 3.22Å; W95-A99 WeakPolarHBondContact O-CB 3.35Å; W95-A99 PolarHBondContact O-N 2.85Å; W95-W305 AromaticContact CE2-CH2 3.67Å; W95-W305 HydrophobicContact CH2-CH2 4.47Å; W95-W305 AromaticContact CZ2-CH2 3.63Å; W95-W305 HydrophobicContact CZ2-CH2 3.63Å; W95-W305 AromaticContact CZ2-CZ3 3.87Å; W95-W305 HydrophobicContact CZ2-CZ3 3.87Å; W95-W305 AromaticContact NE1-CH2 3.81Å
96A98.3Very high97.6Very high0 Ų038.8 Ų38.80%021%0.209CC..Hα-helixtrans-63.5-40.3171.300000111.4F82 V84 Y91 T92 G93 Y94 A100F82-A96 HydrophobicContact CD1-CB 3.65Å; F82-A96 HydrophobicContact CE1-CB 3.59Å; V84-A96 HydrophobicContact CB-CB 4.19Å; V84-A96 HydrophobicContact CG2-CB 3.97Å; V84-A96 WeakPolarHBondContact CG2-O 3.45Å; Y91-A96 WeakPolarHBondContact O-CB 3.34Å; T92-A96 PolarHBondContact O-N 2.96Å; G93-A96 WeakPolarHBondContact O-CB 3.37Å; G93-A96 PolarHBondContact O-N 3.35Å; G93-A96 VanDerWaalsContact O-N 3.08Å; Y94-A96 VanDerWaalsContact C-N 3.31Å; Y94-A96 PolarHBondContact O-N 3.23Å; A96-A100 WeakPolarHBondContact O-CB 3.42Å; A96-A100 PolarHBondContact O-N 2.98Å
97L98.6Very high97.5Very high0 Ų040.9 Ų40.90%022%0.22CC..Hα-helixtrans-60.7-51.5172.9169.368.6000111L70 F74 G93 Y94 W95 A99 A100 V101 F129L70-L97 HydrophobicContact CB-CD1 3.8Å; L70-L97 HydrophobicContact CB-CD2 3.65Å; L70-L97 HydrophobicContact CB-CG 4.37Å; L70-L97 HydrophobicContact CD1-CD1 3.88Å; L70-L97 WeakPolarHBondContact O-CD2 3.18Å; F74-L97 HydrophobicContact CE1-CB 3.72Å; F74-L97 HydrophobicContact CE1-CD2 4Å; F74-L97 HydrophobicContact CE1-CG 4.43Å; F74-L97 HydrophobicContact CZ-CB 4.04Å; F74-L97 HydrophobicContact CZ-CD2 3.68Å; G93-L97 PolarHBondContact O-N 3.17Å; Y94-L97 HydrophobicContact CD2-CD2 4.4Å; Y94-L97 WeakPolarHBondContact O-CB 3.28Å; Y94-L97 PolarHBondContact O-N 3.39Å; W95-L97 VanDerWaalsContact C-N 3.31Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.44Å; L97-A100 PolarHBondContact O-N 3.06Å; L97-A100 VanDerWaalsContact O-N 3.07Å; L97-V101 HydrophobicContact CD1-CG2 4.18Å; L97-V101 WeakPolarHBondContact O-CG2 3.27Å; L97-V101 PolarHBondContact O-N 3.06Å; L97-F129 HydrophobicContact CD1-CE1 3.91Å; L97-F129 HydrophobicContact CD1-CZ 4.19Å
98C98.6Very high97.7Very high0 Ų040.6 Ų40.60%023%0.229CC..Hα-helixtrans-58.4-44.7-180-61.20000111.5L51 W63 Y94 W95 A100 V101 N102L51-C98 HydrophobicContact CB-CB 3.96Å; L51-C98 HydrophobicContact CD1-CB 4.02Å; W63-C98 HydrophobicContact CH2-CB 4.26Å; W63-C98 HydrophobicContact CZ2-CB 3.92Å; Y94-C98 VanDerWaalsContact CE1-SG 3.57Å; Y94-C98 PolarHBondContact O-N 3.44Å; Y94-C98 VanDerWaalsContact O-N 3.09Å; Y94-C98 PolarHBondContact O-SG 3.46Å; W95-C98 HydrophobicContact CE3-CB 3.97Å; W95-C98 HydrophobicContact CZ3-CB 4.5Å; W95-C98 PolarHBondContact O-N 3.47Å; C98-A100 VanDerWaalsContact C-N 3.31Å; C98-A100 PolarHBondContact O-N 2.69Å; C98-V101 PolarHBondContact O-N 3.46Å; C98-N102 VanDerWaalsContact O-CG 3.3Å; C98-N102 PolarHBondContact O-N 2.83Å; C98-N102 PolarHBondContact O-OD1 2.88Å
99A98.7Very high97.8Very high0 Ų034.6 Ų34.60%020%0.199CC..Hα-helixtrans-60.2-39.6175.400000112L51 V84 Y86 Y91 W95 L97 R103L51-A99 HydrophobicContact CD1-CB 4.02Å; V84-A99 HydrophobicContact CB-CB 4.12Å; V84-A99 HydrophobicContact CG1-CB 3.68Å; Y86-A99 HydrophobicContact CD1-CB 4.3Å; Y86-A99 HydrophobicContact CG-CB 4.25Å; Y91-A99 HydrophobicContact CD2-CB 3.61Å; Y91-A99 HydrophobicContact CE2-CB 4.3Å; Y91-A99 HydrophobicContact CG-CB 4.08Å; W95-A99 VanDerWaalsContact O-CB 3.22Å; W95-A99 WeakPolarHBondContact O-CB 3.35Å; W95-A99 PolarHBondContact O-N 2.85Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.44Å; A99-R103 WeakPolarHBondContact O-CB 3.03Å; A99-R103 PolarHBondContact O-N 3.24Å
100A98.6Very high97.8Very high0 Ų032.4 Ų32.40%019%0.192CC..Hα-helixtrans-70.2-38.3178.400000112.6V84 A96 L97 C98 A104 F129V84-A100 HydrophobicContact CG1-CB 4.18Å; V84-A100 HydrophobicContact CG2-CB 4.16Å; A96-A100 WeakPolarHBondContact O-CB 3.42Å; A96-A100 PolarHBondContact O-N 2.98Å; L97-A100 PolarHBondContact O-N 3.06Å; L97-A100 VanDerWaalsContact O-N 3.07Å; C98-A100 VanDerWaalsContact C-N 3.31Å; C98-A100 PolarHBondContact O-N 2.69Å; A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.81Å; A100-F129 HydrophobicContact CB-CD1 3.65Å; A100-F129 HydrophobicContact CB-CE1 4.06Å
101V98.6Very high97.9Very high0 Ų028.8 Ų28.80%017%0.17CC..Hα-helixtrans-62.7-49.9174.1174.90000110V66 T67 L97 C98 R103 A104 I105 L111 L112V66-V101 HydrophobicContact CG1-CG2 4.49Å; T67-V101 HydrophobicContact CG2-CG2 4.35Å; L97-V101 HydrophobicContact CD1-CG2 4.18Å; L97-V101 WeakPolarHBondContact O-CG2 3.27Å; L97-V101 PolarHBondContact O-N 3.06Å; C98-V101 PolarHBondContact O-N 3.46Å; V101-R103 PolarHBondContact O-N 3.1Å; V101-A104 WeakPolarHBondContact O-CB 3.44Å; V101-A104 PolarHBondContact O-N 3.33Å; V101-I105 HydrophobicContact CG1-CD1 4.19Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 2.91Å; V101-L111 HydrophobicContact CG2-CD2 4.16Å; V101-L112 HydrophobicContact CG1-CD2 3.87Å
102N98.5Very high97.9Very high24 Ų2427.8 Ų27.813%0.12817%0.166CC..Hα-helixtrans-63.9-43.8179.9-65.4-5.7000111.5L51 W63 Y86 C98 A104 I105 D106L51-N102 PolarHBondContact O-ND2 2.97Å; W63-N102 PolarHBondContact NE1-OD1 2.83Å; Y86-N102 HydrophobicContact CE1-CB 3.78Å; Y86-N102 HydrophobicContact CE2-CB 4.26Å; C98-N102 VanDerWaalsContact O-CG 3.3Å; C98-N102 PolarHBondContact O-N 2.83Å; C98-N102 PolarHBondContact O-OD1 2.88Å; N102-A104 VanDerWaalsContact C-N 3.31Å; N102-A104 PolarHBondContact O-N 3.03Å; N102-I105 PolarHBondContact O-N 3.31Å; N102-D106 PolarHBondContact O-N 3.44Å
103R98.3Very high98Very high18 Ų1827.3 Ų27.37%0.06816%0.161CC..Hα-helixtrans-58.4-41174.4-176.6177.266.7-1730.3112.3Y86 A99 V101 I105 D106 E107 I128 R130Y86-R103 HydrophobicContact CD2-CB 3.76Å; Y86-R103 HydrophobicContact CD2-CG 4.39Å; Y86-R103 HydrophobicContact CE2-CB 4.07Å; A99-R103 WeakPolarHBondContact O-CB 3.03Å; A99-R103 PolarHBondContact O-N 3.24Å; V101-R103 PolarHBondContact O-N 3.1Å; R103-I105 VanDerWaalsContact C-N 3.33Å; R103-I105 PolarHBondContact O-N 3.07Å; R103-D106 PolarHBondContact O-N 2.79Å; R103-E107 HydrophobicContact CG-CG 4.32Å; R103-E107 VanDerWaalsContact CG-OE1 3.26Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 VanDerWaalsContact O-CB 3.32Å; R103-E107 WeakPolarHBondContact O-CB 3.46Å; R103-E107 VanDerWaalsContact O-CG 3.27Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.23Å; R103-I128 PolarHBondContact NH2-O 3.29Å; R103-R130 PolarHBondContact NH2-O 3.18Å
104A98.4Very high98.1Very high0 Ų026.4 Ų26.40%015%0.152CC..Hα-helixtrans-61-44.3177.400000111.5A100 V101 N102 E107 G108 V109 L111 I128A100-A104 WeakPolarHBondContact O-CB 3.48Å; A100-A104 PolarHBondContact O-N 2.81Å; V101-A104 WeakPolarHBondContact O-CB 3.44Å; V101-A104 PolarHBondContact O-N 3.33Å; N102-A104 VanDerWaalsContact C-N 3.31Å; N102-A104 PolarHBondContact O-N 3.03Å; A104-E107 CarbonylContact O-C 3.43Å; A104-E107 PolarHBondContact O-N 2.81Å; A104-G108 PolarHBondContact O-N 3.43Å; A104-V109 CarbonylContact C-O 3.59Å; A104-V109 HydrophobicContact CB-CB 4.43Å; A104-V109 CarbonylContact O-C 3.56Å; A104-V109 WeakPolarHBondContact O-CA 3.42Å; A104-V109 PolarHBondContact O-N 3.03Å; A104-V109 VanDerWaalsContact O-O 3.09Å; A104-L111 HydrophobicContact CB-CB 4.4Å; A104-I128 HydrophobicContact CB-CB 4.49Å; A104-I128 HydrophobicContact CB-CD1 4.39Å; A104-I128 HydrophobicContact CB-CG1 4.03Å; A104-I128 HydrophobicContact CB-CG2 3.83Å
105I98.1Very high98.2Very high52 Ų5231.1 Ų31.127%0.26718%0.175SC..Hα-helixtrans-62.7-46.7178-63.1164.3000110.4V101 N102 R103 E107 G108 V109 L112V101-I105 HydrophobicContact CG1-CD1 4.19Å; V101-I105 WeakPolarHBondContact O-CG1 3.48Å; V101-I105 PolarHBondContact O-N 2.91Å; N102-I105 PolarHBondContact O-N 3.31Å; R103-I105 VanDerWaalsContact C-N 3.33Å; R103-I105 PolarHBondContact O-N 3.07Å; I105-E107 VanDerWaalsContact C-N 3.26Å; I105-E107 PolarHBondContact O-N 2.75Å; I105-G108 PolarHBondContact O-N 3.18Å; I105-V109 WeakPolarHBondContact CA-O 3.38Å; I105-V109 PolarHBondContact N-O 3.37Å; I105-L112 HydrophobicContact CD1-CD1 3.77Å; I105-L112 HydrophobicContact CD1-CD2 4.48Å; I105-L112 HydrophobicContact CD1-CG 3.82Å
106D97.9Very high98.2Very high110 Ų11032.7 Ų32.759%0.58819%0.186SC*.Hα-helixtrans-63.9-30.9178.1-69.1-19.3000112.7Y86 N102 R103 G108Y86-D106 WeakPolarHBondContact CE2-OD2 3.39Å; Y86-D106 VanDerWaalsContact CZ-OD2 3.31Å; Y86-D106 PolarHBondContact OH-OD2 3.45Å; N102-D106 PolarHBondContact O-N 3.44Å; R103-D106 PolarHBondContact O-N 2.79Å; D106-G108 PolarHBondContact O-N 3.05Å
107E97.6Very high98.2Very high83 Ų8332.7 Ų32.739%0.38819%0.186SC..THydrogen-bonded Turntrans-81.32.8174.4-71.8174.1-175.400113.2R103 A104 I105 Y127 R130R103-E107 HydrophobicContact CG-CG 4.32Å; R103-E107 VanDerWaalsContact CG-OE1 3.26Å; R103-E107 WeakPolarHBondContact CG-OE1 3.43Å; R103-E107 VanDerWaalsContact O-CB 3.32Å; R103-E107 WeakPolarHBondContact O-CB 3.46Å; R103-E107 VanDerWaalsContact O-CG 3.27Å; R103-E107 WeakPolarHBondContact O-CG 3.4Å; R103-E107 PolarHBondContact O-N 3.23Å; A104-E107 CarbonylContact O-C 3.43Å; A104-E107 PolarHBondContact O-N 2.81Å; I105-E107 VanDerWaalsContact C-N 3.26Å; I105-E107 PolarHBondContact O-N 2.75Å; E107-Y127 WeakPolarHBondContact OE2-CE1 3.45Å; E107-R130 VanDerWaalsContact CD-NH2 3.3Å; E107-R130 IonicContact OE1-CZ 2.93Å; E107-R130 IonicContact OE1-NH1 2.68Å; E107-R130 IonicContact OE1-NH2 2.65Å; E107-R130 PolarHBondContact OE1-NH2 2.75Å; E107-R130 IonicContact OE2-CZ 2.92Å; E107-R130 IonicContact OE2-NH1 2.66Å; E107-R130 PolarHBondContact OE2-NH1 3.37Å; E107-R130 IonicContact OE2-NH2 3.2Å; E107-R130 PolarHBondContact OE2-NH2 2.58Å; E107-R130 VanDerWaalsContact OE2-NH2 3.12Å
108G97.4Very high98.1Very high67 Ų6735.7 Ų35.769%0.69120%0.2SC*.THydrogen-bonded Turntrans90.310.5174.800000115.2A104 I105 D106A104-G108 PolarHBondContact O-N 3.43Å; I105-G108 PolarHBondContact O-N 3.18Å; D106-G108 PolarHBondContact O-N 3.05Å
109V97.7Very high98Very high53 Ų5339.4 Ų39.432%0.32123%0.226SC..  trans-102.6104.4172.6-175.40000109.6A104 I105 L111 V116 I128A104-V109 CarbonylContact C-O 3.59Å; A104-V109 HydrophobicContact CB-CB 4.43Å; A104-V109 CarbonylContact O-C 3.56Å; A104-V109 WeakPolarHBondContact O-CA 3.42Å; A104-V109 PolarHBondContact O-N 3.03Å; A104-V109 VanDerWaalsContact O-O 3.09Å; I105-V109 WeakPolarHBondContact CA-O 3.38Å; I105-V109 PolarHBondContact N-O 3.37Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.3Å; V109-V116 HydrophobicContact CG1-CG1 4Å; V109-I128 HydrophobicContact CG1-CD1 3.87Å
110D97.7Very high98Very high53 Ų5339.5 Ų39.528%0.28323%0.227SC..  trans-72.881.6176.1-173.1-3.7000111.6R59 L112 N113 V116R59-D110 IonicContact CZ-OD1 2.71Å; R59-D110 IonicContact CZ-OD2 2.83Å; R59-D110 VanDerWaalsContact NH1-CG 3.35Å; R59-D110 IonicContact NH1-OD1 3.64Å; R59-D110 PolarHBondContact NH1-OD1 3.28Å; R59-D110 IonicContact NH1-OD2 3.99Å; R59-D110 PolarHBondContact NH1-OD2 3.36Å; R59-D110 IonicContact NH2-OD1 3.62Å; R59-D110 PolarHBondContact NH2-OD1 3.27Å; R59-D110 IonicContact NH2-OD2 2.83Å; R59-D110 PolarHBondContact NH2-OD2 3.38Å; D110-L112 PolarHBondContact O-N 2.72Å; D110-L112 VanDerWaalsContact O-N 3.1Å; D110-L112 WeakPolarHBondContact OD1-CA 3.41Å; D110-L112 WeakPolarHBondContact OD1-CB 3.22Å; D110-L112 PolarHBondContact OD1-N 3.47Å; D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 PolarHBondContact O-N 3.42Å; D110-N113 VanDerWaalsContact O-N 3.17Å; D110-N113 PolarHBondContact OD1-N 3.09Å; D110-V116 WeakPolarHBondContact O-CB 3.18Å; D110-V116 WeakPolarHBondContact O-CG1 3.36Å
111L97.8Very high97.9Very high0 Ų042.6 Ų42.60%025%0.246CC..THydrogen-bonded Turntrans-70.31.5176.9-16268.5000113.4V101 A104 V109 Y117 L125 I128 F129 L147V101-L111 HydrophobicContact CG2-CD2 4.16Å; A104-L111 HydrophobicContact CB-CB 4.4Å; V109-L111 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.3Å; L111-Y117 WeakPolarHBondContact O-CD1 3.47Å; L111-L125 HydrophobicContact CD1-CD1 4.39Å; L111-I128 HydrophobicContact CD1-CD1 4.04Å; L111-I128 HydrophobicContact CD2-CG2 4Å; L111-F129 HydrophobicContact CD2-CE1 4.5Å; L111-F129 HydrophobicContact CD2-CZ 4.36Å; L111-L147 HydrophobicContact CD1-CD1 4.42Å
112L98.4Very high97.9Very high3 Ų346.6 Ų46.62%0.01626%0.264CS..THydrogen-bonded Turntrans-99.7-4.6174.1-51.9-174.4000112.1R59 E62 W63 V66 V101 I105 D110R59-L112 VanDerWaalsContact NH1-CB 3.32Å; E62-L112 HydrophobicContact CB-CB 4.12Å; W63-L112 HydrophobicContact CB-CD1 3.69Å; W63-L112 HydrophobicContact CB-CD2 4.29Å; W63-L112 HydrophobicContact CG-CD1 4.22Å; V66-L112 HydrophobicContact CB-CD2 3.8Å; V66-L112 HydrophobicContact CG1-CD2 4.19Å; V66-L112 HydrophobicContact CG2-CD2 3.87Å; V101-L112 HydrophobicContact CG1-CD2 3.87Å; I105-L112 HydrophobicContact CD1-CD1 3.77Å; I105-L112 HydrophobicContact CD1-CD2 4.48Å; I105-L112 HydrophobicContact CD1-CG 3.82Å; D110-L112 PolarHBondContact O-N 2.72Å; D110-L112 VanDerWaalsContact O-N 3.1Å; D110-L112 WeakPolarHBondContact OD1-CA 3.41Å; D110-L112 WeakPolarHBondContact OD1-CB 3.22Å; D110-L112 PolarHBondContact OD1-N 3.47Å
113N98.4Very high97.9Very high50 Ų5051.4 Ų51.427%0.26729%0.29SS..SBendtrans-90.8119.6174.6-179.7-14.8000110.7D110 E115 V116 Y117D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 PolarHBondContact O-N 3.42Å; D110-N113 VanDerWaalsContact O-N 3.17Å; D110-N113 PolarHBondContact OD1-N 3.09Å; N113-E115 PolarHBondContact O-N 3.17Å; N113-E115 WeakPolarHBondContact OD1-CB 3.25Å; N113-E115 PolarHBondContact OD1-N 3.28Å; N113-V116 HydrophobicContact CB-CB 4.25Å; N113-V116 HydrophobicContact CB-CG2 3.88Å; N113-V116 WeakPolarHBondContact O-CA 3.47Å; N113-V116 WeakPolarHBondContact O-CB 3.44Å; N113-V116 PolarHBondContact O-N 3.21Å; N113-Y117 WeakPolarHBondContact O-CD1 3.29Å; N113-Y117 PolarHBondContact O-N 3.23Å; N113-Y117 VanDerWaalsContact O-N 3.07Å
114P98.4Very high97.9Very high4 Ų455.6 Ų55.63%0.02631%0.31CS..Hα-helixtrans-53.6-33.7177.6-28.837.5000115.5V116 Y117 Q118 L154 L155 G160P114-V116 VanDerWaalsContact C-N 3.28Å; P114-V116 PolarHBondContact O-N 2.97Å; P114-Y117 VanDerWaalsContact CA-CZ 3.42Å; P114-Y117 HydrophobicContact CB-CE1 4.2Å; P114-Y117 HydrophobicContact CB-CE2 4.35Å; P114-Y117 HydrophobicContact CG-CE1 3.98Å; P114-Y117 WeakPolarHBondContact CG-OH 3.32Å; P114-Y117 VanDerWaalsContact N-CE1 3.29Å; P114-Q118 VanDerWaalsContact O-CB 3.23Å; P114-Q118 WeakPolarHBondContact O-CB 3.26Å; P114-Q118 WeakPolarHBondContact O-CG 3.33Å; P114-Q118 PolarHBondContact O-N 3.1Å; P114-L154 HydrophobicContact CB-CB 4.24Å; P114-L154 HydrophobicContact CB-CD1 4.36Å; P114-L154 HydrophobicContact CG-CB 4.15Å; P114-L154 HydrophobicContact CG-CD1 3.71Å; P114-L155 HydrophobicContact CB-CD1 4.41Å; P114-L155 HydrophobicContact CB-CD2 4.42Å; P114-L155 HydrophobicContact CB-CG 4.11Å; P114-G160 VanDerWaalsContact CG-O 3.3Å; P114-G160 WeakPolarHBondContact CG-O 3.2Å
115E98.1Very high97.9Very high121 Ų12155.6 Ų55.657%0.56531%0.31SS*.Hα-helixtrans-64.4-36.4176.6-62.2-175.6161.500111.9N113 S119 L155N113-E115 PolarHBondContact O-N 3.17Å; N113-E115 WeakPolarHBondContact OD1-CB 3.25Å; N113-E115 PolarHBondContact OD1-N 3.28Å; E115-S119 WeakPolarHBondContact O-CB 3.45Å; E115-S119 PolarHBondContact O-OG 3.26Å; E115-L155 HydrophobicContact CG-CD1 4.25Å; E115-L155 HydrophobicContact CG-CD2 3.71Å
116V98.2Very high97.9Very high48 Ų4858.1 Ų58.129%0.29132%0.316SS..Hα-helixtrans-73.3-57.7179176.40000109.6V109 D110 N113 P114 Q118 S119 V120V109-V116 HydrophobicContact CG1-CG1 4Å; D110-V116 WeakPolarHBondContact O-CB 3.18Å; D110-V116 WeakPolarHBondContact O-CG1 3.36Å; N113-V116 HydrophobicContact CB-CB 4.25Å; N113-V116 HydrophobicContact CB-CG2 3.88Å; N113-V116 WeakPolarHBondContact O-CA 3.47Å; N113-V116 WeakPolarHBondContact O-CB 3.44Å; N113-V116 PolarHBondContact O-N 3.21Å; P114-V116 VanDerWaalsContact C-N 3.28Å; P114-V116 PolarHBondContact O-N 2.97Å; V116-Q118 VanDerWaalsContact C-N 3.35Å; V116-Q118 PolarHBondContact O-N 3.46Å; V116-S119 PolarHBondContact O-N 2.92Å; V116-S119 VanDerWaalsContact O-N 3.12Å; V116-V120 PolarHBondContact O-N 3.45Å
117Y97.8Very high97.9Very high0 Ų059.2 Ų59.20%031%0.313CS..Hα-helixtrans-77.3-17.1-17266-112.4000114.1V66 L111 N113 P114 S119 V120 L147 L154V66-Y117 HydrophobicContact CG2-CD1 4.38Å; V66-Y117 HydrophobicContact CG2-CE1 3.92Å; L111-Y117 WeakPolarHBondContact O-CD1 3.47Å; N113-Y117 WeakPolarHBondContact O-CD1 3.29Å; N113-Y117 PolarHBondContact O-N 3.23Å; N113-Y117 VanDerWaalsContact O-N 3.07Å; P114-Y117 VanDerWaalsContact CA-CZ 3.42Å; P114-Y117 HydrophobicContact CB-CE1 4.2Å; P114-Y117 HydrophobicContact CB-CE2 4.35Å; P114-Y117 HydrophobicContact CG-CE1 3.98Å; P114-Y117 WeakPolarHBondContact CG-OH 3.32Å; P114-Y117 VanDerWaalsContact N-CE1 3.29Å; Y117-S119 VanDerWaalsContact C-N 3.3Å; Y117-V120 WeakPolarHBondContact O-CG1 3.27Å; Y117-L147 HydrophobicContact CD2-CB 3.99Å; Y117-L147 HydrophobicContact CD2-CD2 3.92Å; Y117-L147 VanDerWaalsContact CD2-O 3.26Å; Y117-L147 WeakPolarHBondContact CD2-O 3.22Å; Y117-L147 WeakPolarHBondContact CE2-O 3.33Å; Y117-L147 HydrophobicContact CG-CD2 3.99Å; Y117-L154 WeakPolarHBondContact OH-CD1 3.35Å
118Q97.4Very high97.9Very high63 Ų6355.4 Ų55.429%0.29430%0.295SS..Hα-helixtrans-70.3-30.7167.586.3170.3-19.100112.5P114 V116 R148 L155P114-Q118 VanDerWaalsContact O-CB 3.23Å; P114-Q118 WeakPolarHBondContact O-CB 3.26Å; P114-Q118 WeakPolarHBondContact O-CG 3.33Å; P114-Q118 PolarHBondContact O-N 3.1Å; V116-Q118 VanDerWaalsContact C-N 3.35Å; V116-Q118 PolarHBondContact O-N 3.46Å; Q118-R148 WeakPolarHBondContact O-CG 3.24Å; Q118-L155 HydrophobicContact CG-CD1 4.15Å
119S97Very high98Very high78 Ų7852.4 Ų52.455%0.54526%0.264SS..Hα-helixtrans-102.6-3.4-170.1-48.10000112.3E115 V116 Y117 T121E115-S119 WeakPolarHBondContact O-CB 3.45Å; E115-S119 PolarHBondContact O-OG 3.26Å; V116-S119 PolarHBondContact O-N 2.92Å; V116-S119 VanDerWaalsContact O-N 3.12Å; Y117-S119 VanDerWaalsContact C-N 3.3Å; S119-T121 PolarHBondContact O-N 3.48Å
120V97.1Very high98Very high3 Ų353.2 Ų53.22%0.01826%0.261CS..  trans-57.6131.3-177.473.90000110.6V116 Y117 Q124 L125 L144 R148V116-V120 PolarHBondContact O-N 3.45Å; Y117-V120 WeakPolarHBondContact O-CG1 3.27Å; V120-Q124 HydrophobicContact CG2-CB 3.55Å; V120-L125 HydrophobicContact CG1-CB 4.38Å; V120-L125 HydrophobicContact CG1-CD1 4.5Å; V120-L125 HydrophobicContact CG2-CB 4.1Å; V120-L144 HydrophobicContact CG1-CD1 3.69Å; V120-R148 PolarHBondContact O-NH2 3.21Å
121T97.5Very high98Very high65 Ų6552.2 Ų52.240%0.39926%0.258SS..  trans-75.7161.7173.871.50000110.3S119 D123 Q124 L125S119-T121 PolarHBondContact O-N 3.48Å; T121-D123 VanDerWaalsContact C-N 3.31Å; T121-D123 PolarHBondContact O-N 3.15Å; T121-Q124 PolarHBondContact O-N 3Å; T121-Q124 WeakPolarHBondContact OG1-CB 3.39Å; T121-Q124 VanDerWaalsContact OG1-CG 3.27Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.26Å; T121-Q124 PolarHBondContact OG1-N 3.49Å; T121-Q124 PolarHBondContact OG1-OE1 3.44Å; T121-L125 PolarHBondContact O-N 3.39Å
122E98.2Very high97.9Very high84 Ų8458.4 Ų58.439%0.39329%0.286SS..Hα-helixtrans-55.9-47.5173.6177.7172.6163.500111.4Q124 L125 R126 F140 L144E122-Q124 PolarHBondContact O-N 3.36Å; E122-L125 PolarHBondContact O-N 2.93Å; E122-R126 HydrophobicContact CG-CG 4.36Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 WeakPolarHBondContact O-CG 3.34Å; E122-R126 PolarHBondContact O-N 2.92Å; E122-R126 IonicContact OE1-CZ 3.43Å; E122-R126 IonicContact OE1-NE 3.79Å; E122-R126 PolarHBondContact OE1-NE 2.92Å; E122-R126 IonicContact OE1-NH2 2.8Å; E122-R126 PolarHBondContact OE1-NH2 2.77Å; E122-F140 HydrophobicContact CG-CE1 3.89Å; E122-F140 HydrophobicContact CG-CZ 4.22Å; E122-L144 HydrophobicContact CB-CD2 4.42Å
123D98.2Very high97.8Very high124 Ų12459.9 Ų59.966%0.66330%0.295SS*.Hα-helixtrans-62.8-41.2-180-67.1-28.2000112.8T121 R126 Y127T121-D123 VanDerWaalsContact C-N 3.31Å; T121-D123 PolarHBondContact O-N 3.15Å; D123-R126 PolarHBondContact O-N 3.18Å; D123-Y127 WeakPolarHBondContact O-CB 3.49Å; D123-Y127 PolarHBondContact O-N 3.19Å
124Q98.1Very high97.6Very high107 Ų10762.3 Ų62.350%0.532%0.323SS..Hα-helixtrans-61.7-45.2175.5-75.5171.1-31.200110.9V120 T121 E122 Y127 I128V120-Q124 HydrophobicContact CG2-CB 3.55Å; T121-Q124 PolarHBondContact O-N 3Å; T121-Q124 WeakPolarHBondContact OG1-CB 3.39Å; T121-Q124 VanDerWaalsContact OG1-CG 3.27Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.26Å; T121-Q124 PolarHBondContact OG1-N 3.49Å; T121-Q124 PolarHBondContact OG1-OE1 3.44Å; E122-Q124 PolarHBondContact O-N 3.36Å; Q124-Y127 WeakPolarHBondContact O-CB 3.32Å; Q124-Y127 PolarHBondContact O-N 2.87Å; Q124-I128 VanDerWaalsContact O-CG1 3.3Å; Q124-I128 WeakPolarHBondContact O-CG1 3.42Å; Q124-I128 PolarHBondContact O-N 3.36Å
125L98.4Very high97.5Very high0 Ų064 Ų640%033%0.33CS..Hα-helixtrans-71.4-35.4-180-166.167.2000112.2L111 V120 T121 E122 Y127 I128 F129 F140 L144 L147L111-L125 HydrophobicContact CD1-CD1 4.39Å; V120-L125 HydrophobicContact CG1-CB 4.38Å; V120-L125 HydrophobicContact CG1-CD1 4.5Å; V120-L125 HydrophobicContact CG2-CB 4.1Å; T121-L125 PolarHBondContact O-N 3.39Å; E122-L125 PolarHBondContact O-N 2.93Å; L125-Y127 VanDerWaalsContact C-N 3.29Å; L125-Y127 PolarHBondContact O-N 3.48Å; L125-I128 HydrophobicContact CD1-CD1 4.41Å; L125-I128 PolarHBondContact O-N 2.91Å; L125-F129 HydrophobicContact CD1-CD2 3.82Å; L125-F129 HydrophobicContact CD1-CE2 3.39Å; L125-F129 HydrophobicContact CD1-CZ 3.95Å; L125-F129 HydrophobicContact CD2-CD2 4.28Å; L125-F129 HydrophobicContact CD2-CE2 4Å; L125-F129 HydrophobicContact CG-CD2 3.71Å; L125-F129 HydrophobicContact CG-CE2 3.67Å; L125-F129 PolarHBondContact O-N 3.16Å; L125-F140 HydrophobicContact CB-CE2 4.04Å; L125-F140 HydrophobicContact CB-CZ 3.91Å; L125-F140 HydrophobicContact CD2-CE2 4.01Å; L125-F140 HydrophobicContact CD2-CZ 4.04Å; L125-F140 HydrophobicContact CG-CE2 3.88Å; L125-F140 HydrophobicContact CG-CZ 4.13Å; L125-L144 HydrophobicContact CB-CD1 4.48Å; L125-L144 HydrophobicContact CD2-CB 3.71Å; L125-L144 HydrophobicContact CD2-CD1 3.64Å; L125-L144 HydrophobicContact CD2-CG 4.24Å; L125-L147 HydrophobicContact CD1-CD1 3.77Å; L125-L147 HydrophobicContact CD2-CD1 4.06Å
126R98.2Very high97.4Very high104 Ų10461.8 Ų61.839%0.39233%0.327SS..Hα-helixtrans-61.5-39.4171.5-74.1-174.6-173.4-64.5-3.2111.2E122 D123 F129 R130 F140E122-R126 HydrophobicContact CG-CG 4.36Å; E122-R126 WeakPolarHBondContact O-CB 3.35Å; E122-R126 WeakPolarHBondContact O-CG 3.34Å; E122-R126 PolarHBondContact O-N 2.92Å; E122-R126 IonicContact OE1-CZ 3.43Å; E122-R126 IonicContact OE1-NE 3.79Å; E122-R126 PolarHBondContact OE1-NE 2.92Å; E122-R126 IonicContact OE1-NH2 2.8Å; E122-R126 PolarHBondContact OE1-NH2 2.77Å; D123-R126 PolarHBondContact O-N 3.18Å; R126-F129 CarbonylContact O-C 3.58Å; R126-R130 WeakPolarHBondContact O-CA 3.37Å; R126-R130 PolarHBondContact O-N 3.19Å; R126-F140 HydrophobicContact CB-CE2 4.34Å; R126-F140 HydrophobicContact CB-CZ 4.38Å; R126-F140 HydrophobicContact CG-CD2 4.41Å; R126-F140 HydrophobicContact CG-CE1 4.05Å; R126-F140 HydrophobicContact CG-CE2 3.63Å; R126-F140 HydrophobicContact CG-CZ 3.42Å; R126-F140 VanDerWaalsContact CG-CZ 3.42Å
127Y98.1Very high97.4Very high133 Ų13359.7 Ų59.752%0.52231%0.314SS..Hα-helixtrans-65.9-43.7174.1-178.7-96.1000111.8E107 D123 Q124 L125 R130E107-Y127 WeakPolarHBondContact OE2-CE1 3.45Å; D123-Y127 WeakPolarHBondContact O-CB 3.49Å; D123-Y127 PolarHBondContact O-N 3.19Å; Q124-Y127 WeakPolarHBondContact O-CB 3.32Å; Q124-Y127 PolarHBondContact O-N 2.87Å; L125-Y127 VanDerWaalsContact C-N 3.29Å; L125-Y127 PolarHBondContact O-N 3.48Å; Y127-R130 WeakPolarHBondContact O-CB 3.14Å; Y127-R130 WeakPolarHBondContact O-CD 3.41Å; Y127-R130 WeakPolarHBondContact O-CG 3.38Å; Y127-R130 PolarHBondContact O-N 3.08Å; Y127-R130 PolarHBondContact O-NH1 2.77Å
128I98.3Very high97.4Very high3 Ų360.3 Ų60.32%0.01532%0.318CS..Hα-helixtrans-60.5-50.2177.4-72.5166.3000111R103 A104 V109 L111 Q124 L125 R130R103-I128 PolarHBondContact NH2-O 3.29Å; A104-I128 HydrophobicContact CB-CB 4.49Å; A104-I128 HydrophobicContact CB-CD1 4.39Å; A104-I128 HydrophobicContact CB-CG1 4.03Å; A104-I128 HydrophobicContact CB-CG2 3.83Å; V109-I128 HydrophobicContact CG1-CD1 3.87Å; L111-I128 HydrophobicContact CD1-CD1 4.04Å; L111-I128 HydrophobicContact CD2-CG2 4Å; Q124-I128 VanDerWaalsContact O-CG1 3.3Å; Q124-I128 WeakPolarHBondContact O-CG1 3.42Å; Q124-I128 PolarHBondContact O-N 3.36Å; L125-I128 HydrophobicContact CD1-CD1 4.41Å; L125-I128 PolarHBondContact O-N 2.91Å; I128-R130 VanDerWaalsContact C-N 3.27Å; I128-R130 PolarHBondContact O-N 3.35Å
129F98.4Very high97.4Very high5 Ų559 Ų592%0.02231%0.312CS..THydrogen-bonded Turntrans-89.625.9178.5-60.2-39.9000113.6L70 F82 L97 A100 L111 L125 R126 S131 I137 F140L70-F129 HydrophobicContact CD1-CE2 4.42Å; L70-F129 HydrophobicContact CD1-CZ 3.73Å; F82-F129 WeakPolarHBondContact CE2-O 3.5Å; F82-F129 HydrophobicContact CZ-CB 4.39Å; L97-F129 HydrophobicContact CD1-CE1 3.91Å; L97-F129 HydrophobicContact CD1-CZ 4.19Å; A100-F129 HydrophobicContact CB-CD1 3.65Å; A100-F129 HydrophobicContact CB-CE1 4.06Å; L111-F129 HydrophobicContact CD2-CE1 4.5Å; L111-F129 HydrophobicContact CD2-CZ 4.36Å; L125-F129 HydrophobicContact CD1-CD2 3.82Å; L125-F129 HydrophobicContact CD1-CE2 3.39Å; L125-F129 HydrophobicContact CD1-CZ 3.95Å; L125-F129 HydrophobicContact CD2-CD2 4.28Å; L125-F129 HydrophobicContact CD2-CE2 4Å; L125-F129 HydrophobicContact CG-CD2 3.71Å; L125-F129 HydrophobicContact CG-CE2 3.67Å; L125-F129 PolarHBondContact O-N 3.16Å; R126-F129 CarbonylContact O-C 3.58Å; F129-S131 PolarHBondContact O-N 2.74Å; F129-I137 HydrophobicContact CB-CB 4.21Å; F129-I137 HydrophobicContact CB-CD1 4.45Å; F129-I137 HydrophobicContact CB-CG2 3.69Å; F129-I137 HydrophobicContact CD1-CD1 4.16Å; F129-I137 HydrophobicContact CD2-CD1 4.24Å; F129-I137 HydrophobicContact CD2-CG2 3.98Å; F129-I137 HydrophobicContact CG-CD1 4.05Å; F129-I137 HydrophobicContact CG-CG2 4.06Å; F129-F140 HydrophobicContact CD2-CE2 4.48Å
130R97.8Very high97.4Very high70 Ų7056.1 Ų56.126%0.26429%0.29SS..  trans-63.6129.3175.568.8-166-179.2-85.73.1110.4R103 E107 R126 Y127 I128R103-R130 PolarHBondContact NH2-O 3.18Å; E107-R130 VanDerWaalsContact CD-NH2 3.3Å; E107-R130 IonicContact OE1-CZ 2.93Å; E107-R130 IonicContact OE1-NH1 2.68Å; E107-R130 IonicContact OE1-NH2 2.65Å; E107-R130 PolarHBondContact OE1-NH2 2.75Å; E107-R130 IonicContact OE2-CZ 2.92Å; E107-R130 IonicContact OE2-NH1 2.66Å; E107-R130 PolarHBondContact OE2-NH1 3.37Å; E107-R130 IonicContact OE2-NH2 3.2Å; E107-R130 PolarHBondContact OE2-NH2 2.58Å; E107-R130 VanDerWaalsContact OE2-NH2 3.12Å; R126-R130 WeakPolarHBondContact O-CA 3.37Å; R126-R130 PolarHBondContact O-N 3.19Å; Y127-R130 WeakPolarHBondContact O-CB 3.14Å; Y127-R130 WeakPolarHBondContact O-CD 3.41Å; Y127-R130 WeakPolarHBondContact O-CG 3.38Å; Y127-R130 PolarHBondContact O-N 3.08Å; Y127-R130 PolarHBondContact O-NH1 2.77Å; I128-R130 VanDerWaalsContact C-N 3.27Å; I128-R130 PolarHBondContact O-N 3.35Å
131S97.8Very high97.5Very high31 Ų3160.1 Ų60.122%0.21731%0.312CS..  trans-85.2154.7177.1-1670000111.1E83 F129 T133 E135E83-S131 PolarHBondContact N-OG 2.94Å; E83-S131 VanDerWaalsContact N-OG 3.09Å; E83-S131 CarbonylContact O-C 3.37Å; E83-S131 VanDerWaalsContact O-CA 3.29Å; E83-S131 WeakPolarHBondContact O-CA 3.31Å; E83-S131 PolarHBondContact O-OG 3.33Å; F129-S131 PolarHBondContact O-N 2.74Å; S131-T133 VanDerWaalsContact C-N 3.32Å; S131-T133 WeakPolarHBondContact CB-O 3.31Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 2.95Å; S131-E135 WeakPolarHBondContact CB-O 3.4Å; S131-E135 PolarHBondContact OG-O 2.71Å
132H95.6Very high97.6Very high130 Ų13060.7 Ų60.760%0.60231%0.31SS*.SBendtrans-75.7-24.5165-173.860.7000112.2E83 P85E83-H132 HydrophobicContact CB-CB 4.33Å; E83-H132 PolarHBondContact O-N 3.2Å; P85-H132 HydrophobicContact CG-CB 4.27Å
133T96.3Very high97.6Very high34 Ų3456.7 Ų56.721%0.20929%0.291CS..SBendtrans-97.9177.2177.967.50000111V80 N81 E83 S131 E135V80-T133 HydrophobicContact CB-CG2 4.46Å; N81-T133 PolarHBondContact O-OG1 2.89Å; E83-T133 HydrophobicContact CB-CG2 3.98Å; E83-T133 VanDerWaalsContact CD-CG2 3.5Å; E83-T133 HydrophobicContact CG-CG2 4.07Å; E83-T133 WeakPolarHBondContact OE2-CG2 3.38Å; S131-T133 VanDerWaalsContact C-N 3.32Å; S131-T133 WeakPolarHBondContact CB-O 3.31Å; S131-T133 PolarHBondContact OG-N 3.38Å; S131-T133 PolarHBondContact OG-OG1 2.95Å; T133-E135 PolarHBondContact O-N 3.37Å; T133-E135 PolarHBondContact OG1-N 3.15Å
134A94.2Very high97.6Very high102 Ų10251.1 Ų51.184%0.84326%0.261SS*.SBendtrans-70.5-11.9171.200000113.6P136A134-P136 WeakPolarHBondContact O-CD 2.91Å
135E96.6Very high97.6Very high39 Ų3950.1 Ų50.118%0.18226%0.259CS..  trans-84.9115.3-178.8-172.669.9-169.100110.2S76 S78 V80 S131 T133S76-E135 WeakPolarHBondContact CB-OE1 3.34Å; S76-E135 PolarHBondContact OG-OE1 2.92Å; S76-E135 PolarHBondContact OG-OE2 2.96Å; S78-E135 PolarHBondContact OG-OE2 3.42Å; V80-E135 HydrophobicContact CG2-CB 4.16Å; S131-E135 WeakPolarHBondContact CB-O 3.4Å; S131-E135 PolarHBondContact OG-O 2.71Å; T133-E135 PolarHBondContact O-N 3.37Å; T133-E135 PolarHBondContact OG1-N 3.15Å
136P96.7Very high97.6Very high75 Ų7550.6 Ų50.649%0.48726%0.263SS..PPolyproline II helixtrans-73.6168.7174.433.3-35.5000111A134 P138A134-P136 WeakPolarHBondContact O-CD 2.91Å; P136-P138 WeakPolarHBondContact O-CD 3.43Å
137I97.8Very high97.6Very high4 Ų445.6 Ų45.62%0.02124%0.244CC..PPolyproline II helixtrans-59127.4170.7-164.9171.4000109.9F82 F129 F140F82-I137 HydrophobicContact CD1-CB 4.1Å; F82-I137 HydrophobicContact CD1-CD1 4.36Å; F82-I137 HydrophobicContact CD1-CG1 3.89Å; F82-I137 HydrophobicContact CD2-CB 3.94Å; F82-I137 HydrophobicContact CE1-CB 3.98Å; F82-I137 HydrophobicContact CE1-CD1 3.81Å; F82-I137 HydrophobicContact CE1-CG1 3.79Å; F82-I137 HydrophobicContact CE2-CB 3.85Å; F82-I137 HydrophobicContact CG-CB 4.07Å; F82-I137 HydrophobicContact CG-CG1 4.29Å; F82-I137 HydrophobicContact CZ-CB 3.84Å; F82-I137 HydrophobicContact CZ-CD1 4.14Å; F82-I137 HydrophobicContact CZ-CG1 4.14Å; F129-I137 HydrophobicContact CB-CB 4.21Å; F129-I137 HydrophobicContact CB-CD1 4.45Å; F129-I137 HydrophobicContact CB-CG2 3.69Å; F129-I137 HydrophobicContact CD1-CD1 4.16Å; F129-I137 HydrophobicContact CD2-CD1 4.24Å; F129-I137 HydrophobicContact CD2-CG2 3.98Å; F129-I137 HydrophobicContact CG-CD1 4.05Å; F129-I137 HydrophobicContact CG-CG2 4.06Å; I137-F140 HydrophobicContact CG2-CB 4.32Å; I137-F140 HydrophobicContact CG2-CD2 3.92Å
138P97.5Very high97.7Very high13 Ų1343.7 Ų43.78%0.08424%0.236CC..SBendtrans-67149.7-178.7-20.330.9000112.2S73 P136 R143S73-P138 WeakPolarHBondContact O-CB 3.42Å; P136-P138 WeakPolarHBondContact O-CD 3.43Å; P138-R143 PolarHBondContact O-NE 3.23Å; P138-R143 PolarHBondContact O-NH2 3.17Å
139L97.6Very high97.7Very high34 Ų3447.2 Ų47.218%0.17826%0.26CS..SBendtrans56.546.9-178.8-58.5-177.7000112.7F72 D141 E142 R143 R325 C326 I327F72-L139 HydrophobicContact CD2-CD1 3.9Å; F72-L139 HydrophobicContact CE2-CB 3.87Å; F72-L139 HydrophobicContact CE2-CD1 3.87Å; L139-D141 PolarHBondContact O-N 3.32Å; L139-E142 WeakPolarHBondContact CA-OE2 3.43Å; L139-E142 HydrophobicContact CB-CB 4.17Å; L139-E142 HydrophobicContact CB-CG 4.39Å; L139-E142 WeakPolarHBondContact CB-OE2 3.4Å; L139-E142 PolarHBondContact O-N 3.19Å; L139-R143 VanDerWaalsContact O-CG 3.28Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.44Å; L139-R325 HydrophobicContact CD1-CG 4.31Å; L139-R325 HydrophobicContact CD2-CG 4.07Å; L139-R325 HydrophobicContact CG-CG 4.49Å; L139-C326 VanDerWaalsContact CD1-O 3.32Å; L139-C326 WeakPolarHBondContact CD1-O 3.38Å; L139-I327 HydrophobicContact CD1-CG2 4.44Å
140F98.1Very high97.7Very high18 Ų1847.1 Ų47.18%0.07926%0.26CS..Hα-helixtrans-58.2-46.2-176.7174.1-88000112.5E122 L125 R126 F129 I137 E142 R143 L144E122-F140 HydrophobicContact CG-CE1 3.89Å; E122-F140 HydrophobicContact CG-CZ 4.22Å; L125-F140 HydrophobicContact CB-CE2 4.04Å; L125-F140 HydrophobicContact CB-CZ 3.91Å; L125-F140 HydrophobicContact CD2-CE2 4.01Å; L125-F140 HydrophobicContact CD2-CZ 4.04Å; L125-F140 HydrophobicContact CG-CE2 3.88Å; L125-F140 HydrophobicContact CG-CZ 4.13Å; R126-F140 HydrophobicContact CB-CE2 4.34Å; R126-F140 HydrophobicContact CB-CZ 4.38Å; R126-F140 HydrophobicContact CG-CD2 4.41Å; R126-F140 HydrophobicContact CG-CE1 4.05Å; R126-F140 HydrophobicContact CG-CE2 3.63Å; R126-F140 HydrophobicContact CG-CZ 3.42Å; R126-F140 VanDerWaalsContact CG-CZ 3.42Å; F129-F140 HydrophobicContact CD2-CE2 4.48Å; I137-F140 HydrophobicContact CG2-CB 4.32Å; I137-F140 HydrophobicContact CG2-CD2 3.92Å; F140-E142 VanDerWaalsContact C-N 3.31Å; F140-E142 PolarHBondContact O-N 2.83Å; F140-R143 WeakPolarHBondContact O-CB 3.4Å; F140-R143 PolarHBondContact O-N 2.97Å; F140-R143 VanDerWaalsContact O-N 3.16Å; F140-L144 HydrophobicContact CE1-CD2 4.34Å; F140-L144 PolarHBondContact O-N 3.41Å
141D98.4Very high97.7Very high88 Ų8843.8 Ų43.847%0.47125%0.248SC..Hα-helixtrans-65.6-38-177.5-64.4-30.3000111L139 R143 L144 N145L139-D141 PolarHBondContact O-N 3.32Å; D141-R143 VanDerWaalsContact C-N 3.34Å; D141-R143 PolarHBondContact O-N 3.22Å; D141-L144 PolarHBondContact O-N 3.46Å; D141-N145 WeakPolarHBondContact O-CB 3.36Å; D141-N145 PolarHBondContact O-N 2.99Å; D141-N145 PolarHBondContact O-ND2 2.68Å; D141-N145 VanDerWaalsContact O-ND2 3.1Å
142E98.6Very high97.7Very high77 Ų7747.5 Ų47.536%0.3626%0.26SS..Hα-helixtrans-65.8-36.4174.9-63.482.417200112.1F72 L139 F140 A146 I327F72-E142 HydrophobicContact CE2-CB 4.37Å; F72-E142 HydrophobicContact CZ-CB 4.4Å; L139-E142 WeakPolarHBondContact CA-OE2 3.43Å; L139-E142 HydrophobicContact CB-CB 4.17Å; L139-E142 HydrophobicContact CB-CG 4.39Å; L139-E142 WeakPolarHBondContact CB-OE2 3.4Å; L139-E142 PolarHBondContact O-N 3.19Å; F140-E142 VanDerWaalsContact C-N 3.31Å; F140-E142 PolarHBondContact O-N 2.83Å; E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.46Å; E142-A146 PolarHBondContact O-N 2.71Å; E142-I327 HydrophobicContact CB-CG2 3.73Å; E142-I327 HydrophobicContact CG-CG2 3.74Å
143R98.5Very high97.9Very high0 Ų042.2 Ų42.20%024%0.237CC..Hα-helixtrans-67.3-44.4174.3-69.1171.8-169.3-77.1-3.8111.8L70 F72 P138 L139 F140 D141 N145 A146 L147L70-R143 HydrophobicContact CD2-CB 3.81Å; L70-R143 HydrophobicContact CD2-CG 3.96Å; L70-R143 PolarHBondContact O-NH1 3.27Å; F72-R143 HydrophobicContact CE1-CG 4.15Å; F72-R143 HydrophobicContact CE2-CG 4.16Å; F72-R143 HydrophobicContact CZ-CG 3.53Å; F72-R143 PolarHBondContact O-NH2 2.98Å; P138-R143 PolarHBondContact O-NE 3.23Å; P138-R143 PolarHBondContact O-NH2 3.17Å; L139-R143 VanDerWaalsContact O-CG 3.28Å; L139-R143 WeakPolarHBondContact O-CG 3.37Å; L139-R143 PolarHBondContact O-N 3.44Å; F140-R143 WeakPolarHBondContact O-CB 3.4Å; F140-R143 PolarHBondContact O-N 2.97Å; F140-R143 VanDerWaalsContact O-N 3.16Å; D141-R143 VanDerWaalsContact C-N 3.34Å; D141-R143 PolarHBondContact O-N 3.22Å; R143-N145 VanDerWaalsContact C-N 3.32Å; R143-N145 PolarHBondContact O-N 3.08Å; R143-A146 PolarHBondContact O-N 3.31Å; R143-L147 WeakPolarHBondContact O-CG 3.34Å; R143-L147 PolarHBondContact O-N 3.3Å
144L98.6Very high98Very high6 Ų640.6 Ų40.63%0.03123%0.227CC..Hα-helixtrans-58.5-47.1174.6179.558000110.6V120 E122 L125 F140 D141 A146 L147 R148V120-L144 HydrophobicContact CG1-CD1 3.69Å; E122-L144 HydrophobicContact CB-CD2 4.42Å; L125-L144 HydrophobicContact CB-CD1 4.48Å; L125-L144 HydrophobicContact CD2-CB 3.71Å; L125-L144 HydrophobicContact CD2-CD1 3.64Å; L125-L144 HydrophobicContact CD2-CG 4.24Å; F140-L144 HydrophobicContact CE1-CD2 4.34Å; F140-L144 PolarHBondContact O-N 3.41Å; D141-L144 PolarHBondContact O-N 3.46Å; L144-A146 PolarHBondContact O-N 2.83Å; L144-L147 PolarHBondContact O-N 3.32Å; L144-R148 HydrophobicContact CD1-CG 4.38Å; L144-R148 VanDerWaalsContact O-CG 3.31Å; L144-R148 WeakPolarHBondContact O-CG 3.35Å; L144-R148 PolarHBondContact O-N 3.2Å
145N98.4Very high98.2Very high87 Ų8738.2 Ų38.247%0.46520%0.2SC..Hα-helixtrans-64.7-39.2177.6-71.7-30.5000112.3D141 R143 R148 C149D141-N145 WeakPolarHBondContact O-CB 3.36Å; D141-N145 PolarHBondContact O-N 2.99Å; D141-N145 PolarHBondContact O-ND2 2.68Å; D141-N145 VanDerWaalsContact O-ND2 3.1Å; R143-N145 VanDerWaalsContact C-N 3.32Å; R143-N145 PolarHBondContact O-N 3.08Å; N145-R148 PolarHBondContact O-N 3.3Å; N145-C149 WeakPolarHBondContact O-CB 3.3Å; N145-C149 PolarHBondContact O-N 2.99Å; N145-C149 PolarHBondContact O-SG 3.49Å; N145-C149 VanDerWaalsContact O-SG 3.34Å
146A98.4Very high98.3Very high9 Ų942.5 Ų42.57%0.07422%0.219CC..Hα-helixtrans-60.5-46.9176.200000111.5L69 L70 E142 R143 L144 A150L69-A146 HydrophobicContact CD1-CB 4.05Å; L69-A146 HydrophobicContact CG-CB 4.15Å; L70-A146 HydrophobicContact CD2-CB 4.38Å; E142-A146 VanDerWaalsContact O-CB 3.28Å; E142-A146 WeakPolarHBondContact O-CB 3.46Å; E142-A146 PolarHBondContact O-N 2.71Å; R143-A146 PolarHBondContact O-N 3.31Å; L144-A146 PolarHBondContact O-N 2.83Å; A146-A150 WeakPolarHBondContact O-CB 3.31Å; A146-A150 PolarHBondContact O-N 3.22Å
147L98.7Very high98.4Very high0 Ų042.8 Ų42.80%022%0.217CC..Hα-helixtrans-60.3-49.7175.3-72170.3000111.5V66 L69 L70 L111 Y117 L125 R143 L144 C149 A150 G151V66-L147 HydrophobicContact CG1-CD2 4.29Å; L69-L147 HydrophobicContact CD2-CD2 4.13Å; L70-L147 HydrophobicContact CD1-CD1 4.33Å; L70-L147 HydrophobicContact CD1-CD2 4.12Å; L70-L147 HydrophobicContact CD1-CG 4.34Å; L70-L147 HydrophobicContact CD2-CD2 4.48Å; L70-L147 HydrophobicContact CD2-CG 4.18Å; L70-L147 HydrophobicContact CG-CD2 4.46Å; L111-L147 HydrophobicContact CD1-CD1 4.42Å; Y117-L147 HydrophobicContact CD2-CB 3.99Å; Y117-L147 HydrophobicContact CD2-CD2 3.92Å; Y117-L147 VanDerWaalsContact CD2-O 3.26Å; Y117-L147 WeakPolarHBondContact CD2-O 3.22Å; Y117-L147 WeakPolarHBondContact CE2-O 3.33Å; Y117-L147 HydrophobicContact CG-CD2 3.99Å; L125-L147 HydrophobicContact CD1-CD1 3.77Å; L125-L147 HydrophobicContact CD2-CD1 4.06Å; R143-L147 WeakPolarHBondContact O-CG 3.34Å; R143-L147 PolarHBondContact O-N 3.3Å; L144-L147 PolarHBondContact O-N 3.32Å; L147-C149 PolarHBondContact O-N 3.46Å; L147-A150 PolarHBondContact O-N 2.83Å; L147-G151 PolarHBondContact O-N 3.08Å
148R98.4Very high98.4Very high93 Ų9343.4 Ų43.435%0.35122%0.219SC..Hα-helixtrans-57.8-51.4-179.7-72.4-179171.8162.10.8113Q118 V120 L144 N145 G151 K152Q118-R148 WeakPolarHBondContact O-CG 3.24Å; V120-R148 PolarHBondContact O-NH2 3.21Å; L144-R148 HydrophobicContact CD1-CG 4.38Å; L144-R148 VanDerWaalsContact O-CG 3.31Å; L144-R148 WeakPolarHBondContact O-CG 3.35Å; L144-R148 PolarHBondContact O-N 3.2Å; N145-R148 PolarHBondContact O-N 3.3Å; R148-G151 PolarHBondContact O-N 3.25Å; R148-K152 WeakPolarHBondContact O-CB 3.39Å; R148-K152 PolarHBondContact O-N 2.86Å
149C98.3Very high98.4Very high77 Ų7749.9 Ų49.952%0.5225%0.253SS..Hα-helixtrans-65.5-43-179.3-69.90000111.8N145 L147 T153N145-C149 WeakPolarHBondContact O-CB 3.3Å; N145-C149 PolarHBondContact O-N 2.99Å; N145-C149 PolarHBondContact O-SG 3.49Å; N145-C149 VanDerWaalsContact O-SG 3.34Å; L147-C149 PolarHBondContact O-N 3.46Å; C149-T153 WeakPolarHBondContact O-CB 3.23Å; C149-T153 PolarHBondContact O-N 3.45Å; C149-T153 PolarHBondContact O-OG1 2.92Å
150A98.7Very high98.5Very high3 Ų349.1 Ų49.13%0.02525%0.254CS..Hα-helixtrans-66.1-41.9178.500000112F65 L69 A146 L147 T153 L154 F184F65-A150 HydrophobicContact CE1-CB 4.07Å; F65-A150 HydrophobicContact CZ-CB 3.97Å; L69-A150 HydrophobicContact CD1-CB 4.18Å; L69-A150 HydrophobicContact CD2-CB 3.51Å; A146-A150 WeakPolarHBondContact O-CB 3.31Å; A146-A150 PolarHBondContact O-N 3.22Å; L147-A150 PolarHBondContact O-N 2.83Å; A150-T153 WeakPolarHBondContact O-CB 3.29Å; A150-T153 PolarHBondContact O-N 2.77Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 2.93Å; A150-F184 HydrophobicContact CB-CD1 3.99Å; A150-F184 HydrophobicContact CB-CE1 4.17Å
151G98.6Very high98.5Very high0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-66.1-46.1-178.200000111.6L147 R148 T153 L154 L155L147-G151 PolarHBondContact O-N 3.08Å; R148-G151 PolarHBondContact O-N 3.25Å; G151-T153 VanDerWaalsContact C-N 3.32Å; G151-T153 PolarHBondContact O-N 3.11Å; G151-L154 PolarHBondContact O-N 2.8Å; G151-L155 WeakPolarHBondContact O-CG 3.22Å; G151-L155 PolarHBondContact O-N 3.24Å
152K98.6Very high98.5Very high108 Ų10845.2 Ų45.247%0.4724%0.236SC..Hα-helixtrans-55.6-47.5171.6-178.6-179.7177.3-177.40111.8R148 L154 L155 E156R148-K152 WeakPolarHBondContact O-CB 3.39Å; R148-K152 PolarHBondContact O-N 2.86Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.33Å; K152-L155 PolarHBondContact O-N 3.09Å; K152-E156 WeakPolarHBondContact CE-OE1 3.41Å; K152-E156 WeakPolarHBondContact CE-OE2 3.46Å; K152-E156 HydrophobicContact CG-CG 4.36Å; K152-E156 IonicContact NZ-OE1 3.73Å; K152-E156 WeakPolarHBondContact O-CB 3.39Å; K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 2.67Å
153T98.7Very high98.4Very high20 Ų2043.6 Ų43.612%0.12323%0.228CC..Hα-helixtrans-59.6-44.6-179.4-60.40000111.6C149 A150 G151 E156 N157 F158 Y183 F184C149-T153 WeakPolarHBondContact O-CB 3.23Å; C149-T153 PolarHBondContact O-N 3.45Å; C149-T153 PolarHBondContact O-OG1 2.92Å; A150-T153 WeakPolarHBondContact O-CB 3.29Å; A150-T153 PolarHBondContact O-N 2.77Å; G151-T153 VanDerWaalsContact C-N 3.32Å; G151-T153 PolarHBondContact O-N 3.11Å; T153-E156 PolarHBondContact O-N 2.8Å; T153-N157 WeakPolarHBondContact O-CB 3.49Å; T153-N157 PolarHBondContact O-N 2.59Å; T153-N157 PolarHBondContact O-ND2 2.87Å; T153-F158 HydrophobicContact CG2-CE2 4.32Å; T153-Y183 HydrophobicContact CG2-CD1 4.24Å; T153-Y183 WeakPolarHBondContact CG2-O 3.47Å; T153-F184 HydrophobicContact CG2-CD1 4.15Å; T153-F184 HydrophobicContact CG2-CE1 3.75Å; T153-F184 HydrophobicContact CG2-CE2 4.39Å; T153-F184 HydrophobicContact CG2-CZ 3.89Å
154L98.7Very high98.4Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-64.7-41.6178.4-73.2172.1000112.6F65 P114 Y117 A150 G151 K152 F158 D159 G160 F162 F184F65-L154 HydrophobicContact CD1-CD1 4.19Å; F65-L154 HydrophobicContact CE1-CD1 3.66Å; F65-L154 HydrophobicContact CZ-CD1 4.24Å; P114-L154 HydrophobicContact CB-CB 4.24Å; P114-L154 HydrophobicContact CB-CD1 4.36Å; P114-L154 HydrophobicContact CG-CB 4.15Å; P114-L154 HydrophobicContact CG-CD1 3.71Å; Y117-L154 WeakPolarHBondContact OH-CD1 3.35Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 2.93Å; G151-L154 PolarHBondContact O-N 2.8Å; K152-L154 VanDerWaalsContact C-N 3.34Å; K152-L154 PolarHBondContact O-N 3.33Å; L154-F158 HydrophobicContact CD2-CB 3.97Å; L154-F158 HydrophobicContact CD2-CD2 3.97Å; L154-F158 HydrophobicContact CD2-CG 4.28Å; L154-F158 CarbonylContact O-C 3.26Å; L154-F158 VanDerWaalsContact O-C 3.26Å; L154-F158 WeakPolarHBondContact O-CA 3.43Å; L154-F158 PolarHBondContact O-N 3.13Å; L154-D159 PolarHBondContact O-N 3.39Å; L154-G160 PolarHBondContact O-N 2.84Å; L154-F162 HydrophobicContact CD1-CB 4.36Å; L154-F162 HydrophobicContact CD2-CB 4.14Å; L154-F162 HydrophobicContact CD2-CD2 4.27Å; L154-F184 HydrophobicContact CD2-CE1 4.27Å; L154-F184 HydrophobicContact CD2-CZ 3.73Å; L154-F184 HydrophobicContact CG-CE1 4.05Å; L154-F184 HydrophobicContact CG-CZ 4.03Å
155L98.6Very high98.4Very high52 Ų5246.1 Ų46.127%0.27224%0.241SC..Hα-helixtrans-68.6-36.2179.2-69165.4000112.6P114 E115 Q118 G151 K152P114-L155 HydrophobicContact CB-CD1 4.41Å; P114-L155 HydrophobicContact CB-CD2 4.42Å; P114-L155 HydrophobicContact CB-CG 4.11Å; E115-L155 HydrophobicContact CG-CD1 4.25Å; E115-L155 HydrophobicContact CG-CD2 3.71Å; Q118-L155 HydrophobicContact CG-CD1 4.15Å; G151-L155 WeakPolarHBondContact O-CG 3.22Å; G151-L155 PolarHBondContact O-N 3.24Å; K152-L155 PolarHBondContact O-N 3.09Å
156E98.4Very high98.4Very high128 Ų12842.4 Ų42.460%0.59822%0.221SC*.Hα-helixtrans-80.6-29.6-179.4-71.6178.1163.900113.5K152 T153K152-E156 WeakPolarHBondContact CE-OE1 3.41Å; K152-E156 WeakPolarHBondContact CE-OE2 3.46Å; K152-E156 HydrophobicContact CG-CG 4.36Å; K152-E156 IonicContact NZ-OE1 3.73Å; K152-E156 WeakPolarHBondContact O-CB 3.39Å; K152-E156 WeakPolarHBondContact O-CG 3.49Å; K152-E156 PolarHBondContact O-N 2.67Å; T153-E156 PolarHBondContact O-N 2.8Å
157N98.5Very high98.4Very high81 Ų8144.9 Ų44.943%0.43324%0.238SC..Hα-helixtrans-124.2-15.7-166.7-57.2-91.3000115T153 Y183T153-N157 WeakPolarHBondContact O-CB 3.49Å; T153-N157 PolarHBondContact O-N 2.59Å; T153-N157 PolarHBondContact O-ND2 2.87Å; N157-Y183 HydrophobicContact CB-CD1 4.17Å; N157-Y183 HydrophobicContact CB-CE1 3.98Å
158F98.4Very high98.4Very high17 Ų1748 Ų488%0.07526%0.26CS..SBendtrans-13928.7-169.8-59.3-72000112.8T153 L154 G160 S161 N164 A165 L179 Y183 F184T153-F158 HydrophobicContact CG2-CE2 4.32Å; L154-F158 HydrophobicContact CD2-CB 3.97Å; L154-F158 HydrophobicContact CD2-CD2 3.97Å; L154-F158 HydrophobicContact CD2-CG 4.28Å; L154-F158 CarbonylContact O-C 3.26Å; L154-F158 VanDerWaalsContact O-C 3.26Å; L154-F158 WeakPolarHBondContact O-CA 3.43Å; L154-F158 PolarHBondContact O-N 3.13Å; F158-G160 PolarHBondContact O-N 2.94Å; F158-S161 PolarHBondContact O-N 3.28Å; F158-S161 VanDerWaalsContact O-N 3.14Å; F158-N164 HydrophobicContact CB-CB 4.25Å; F158-N164 WeakPolarHBondContact O-CB 3.32Å; F158-N164 PolarHBondContact O-ND2 2.86Å; F158-A165 HydrophobicContact CD1-CB 3.61Å; F158-A165 HydrophobicContact CD2-CB 4.21Å; F158-A165 HydrophobicContact CE1-CB 3.72Å; F158-A165 HydrophobicContact CE2-CB 4.3Å; F158-A165 HydrophobicContact CG-CB 3.87Å; F158-A165 HydrophobicContact CZ-CB 4.06Å; F158-L179 HydrophobicContact CE1-CD1 4.11Å; F158-L179 HydrophobicContact CZ-CD1 4.14Å; F158-L179 HydrophobicContact CZ-CD2 3.96Å; F158-L179 HydrophobicContact CZ-CG 4.27Å; F158-Y183 AromaticContact CE2-CD1 3.66Å; F158-Y183 HydrophobicContact CE2-CD1 3.66Å; F158-Y183 HydrophobicContact CE2-CD2 4.42Å; F158-Y183 HydrophobicContact CE2-CE1 4.18Å; F158-Y183 AromaticContact CE2-CG 3.79Å; F158-Y183 HydrophobicContact CE2-CG 3.79Å; F158-Y183 AromaticContact CZ-CD1 3.8Å; F158-Y183 HydrophobicContact CZ-CD1 3.8Å; F158-Y183 AromaticContact CZ-CD2 3.93Å; F158-Y183 HydrophobicContact CZ-CD2 3.93Å; F158-Y183 AromaticContact CZ-CE1 3.98Å; F158-Y183 HydrophobicContact CZ-CE1 3.98Å; F158-Y183 HydrophobicContact CZ-CE2 4.11Å; F158-Y183 AromaticContact CZ-CG 3.76Å; F158-Y183 HydrophobicContact CZ-CG 3.76Å; F158-F184 HydrophobicContact CD2-CZ 4.36Å; F158-F184 HydrophobicContact CE2-CE2 4.16Å; F158-F184 HydrophobicContact CE2-CZ 4.21Å
159D97.9Very high98.4Very high149 Ų14943.7 Ų43.780%0.79724%0.244SC*.THydrogen-bonded Turntrans48.536.7179.9-56.4-40.6000113.6L154 S161L154-D159 PolarHBondContact O-N 3.39Å; D159-S161 PolarHBondContact O-N 2.98Å
160G98Very high98.3Very high18 Ų1846.3 Ų46.319%0.18625%0.248CC..THydrogen-bonded Turntrans7221.6175.800000115.6P114 L154 F158P114-G160 VanDerWaalsContact CG-O 3.3Å; P114-G160 WeakPolarHBondContact CG-O 3.2Å; L154-G160 PolarHBondContact O-N 2.84Å; F158-G160 PolarHBondContact O-N 2.94Å
161S98.2Very high98.3Very high25 Ų2549.5 Ų49.518%0.17527%0.265CS..  trans-145.1133.8177.9170.50000112.8E62 F158 D159 K163 N164E62-S161 PolarHBondContact OE1-OG 3.22Å; F158-S161 PolarHBondContact O-N 3.28Å; F158-S161 VanDerWaalsContact O-N 3.14Å; D159-S161 PolarHBondContact O-N 2.98Å; S161-K163 VanDerWaalsContact C-N 3.25Å; S161-K163 PolarHBondContact O-N 2.94Å; S161-K163 VanDerWaalsContact OG-CB 3.28Å; S161-K163 WeakPolarHBondContact OG-CB 3.37Å; S161-K163 PolarHBondContact OG-N 3.19Å; S161-N164 PolarHBondContact O-N 3.06Å
162F98.6Very high98.3Very high0 Ų049.9 Ų49.90%027%0.268CS..Hα-helixtrans-68.2-26.8175.3-175.6-107.5000112.4I61 E62 F65 L154 N164 A165 L166 L176 L180 L207 L211I61-F162 HydrophobicContact CG2-CD1 3.84Å; E62-F162 PolarHBondContact OE1-N 2.78Å; E62-F162 VanDerWaalsContact OE2-CB 3.31Å; E62-F162 WeakPolarHBondContact OE2-CB 3.4Å; E62-F162 PolarHBondContact OE2-N 3.36Å; E62-F162 VanDerWaalsContact OE2-N 3.15Å; F65-F162 HydrophobicContact CB-CB 4.04Å; F65-F162 HydrophobicContact CB-CD1 3.71Å; F65-F162 HydrophobicContact CB-CE1 4.32Å; F65-F162 HydrophobicContact CB-CG 3.82Å; F65-F162 HydrophobicContact CD1-CB 4.17Å; F65-F162 HydrophobicContact CD1-CG 4.33Å; F65-F162 HydrophobicContact CD2-CB 4.17Å; F65-F162 AromaticContact CD2-CD1 3.8Å; F65-F162 HydrophobicContact CD2-CD1 3.8Å; F65-F162 AromaticContact CD2-CD2 3.25Å; F65-F162 HydrophobicContact CD2-CD2 3.25Å; F65-F162 AromaticContact CD2-CE1 3.97Å; F65-F162 HydrophobicContact CD2-CE1 3.97Å; F65-F162 AromaticContact CD2-CE2 3.45Å; F65-F162 HydrophobicContact CD2-CE2 3.45Å; F65-F162 VanDerWaalsContact CD2-CE2 3.45Å; F65-F162 AromaticContact CD2-CG 3.44Å; F65-F162 HydrophobicContact CD2-CG 3.44Å; F65-F162 VanDerWaalsContact CD2-CG 3.44Å; F65-F162 AromaticContact CD2-CZ 3.8Å; F65-F162 HydrophobicContact CD2-CZ 3.8Å; F65-F162 AromaticContact CE2-CD2 3.44Å; F65-F162 HydrophobicContact CE2-CD2 3.44Å; F65-F162 VanDerWaalsContact CE2-CD2 3.44Å; F65-F162 AromaticContact CE2-CE2 3.58Å; F65-F162 HydrophobicContact CE2-CE2 3.58Å; F65-F162 HydrophobicContact CE2-CG 4.08Å; F65-F162 HydrophobicContact CE2-CZ 4.31Å; F65-F162 HydrophobicContact CG-CB 3.85Å; F65-F162 AromaticContact CG-CD1 3.95Å; F65-F162 HydrophobicContact CG-CD1 3.95Å; F65-F162 AromaticContact CG-CD2 3.86Å; F65-F162 HydrophobicContact CG-CD2 3.86Å; F65-F162 HydrophobicContact CG-CE2 4.42Å; F65-F162 AromaticContact CG-CG 3.59Å; F65-F162 HydrophobicContact CG-CG 3.59Å; F65-F162 HydrophobicContact CZ-CD2 4.17Å; L154-F162 HydrophobicContact CD1-CB 4.36Å; L154-F162 HydrophobicContact CD2-CB 4.14Å; L154-F162 HydrophobicContact CD2-CD2 4.27Å; F162-N164 PolarHBondContact O-N 3.14Å; F162-A165 HydrophobicContact CD2-CB 3.97Å; F162-A165 HydrophobicContact CE2-CB 4.12Å; F162-A165 WeakPolarHBondContact O-CB 3.33Å; F162-A165 PolarHBondContact O-N 3.38Å; F162-L166 PolarHBondContact O-N 3.07Å; F162-L176 HydrophobicContact CZ-CD1 4.04Å; F162-L180 HydrophobicContact CE2-CD2 3.78Å; F162-L180 HydrophobicContact CZ-CD2 4.02Å; F162-L207 HydrophobicContact CE1-CD1 4.21Å; F162-L207 HydrophobicContact CE1-CD2 3.84Å; F162-L207 HydrophobicContact CE1-CG 4.47Å; F162-L207 HydrophobicContact CZ-CD1 3.87Å; F162-L207 HydrophobicContact CZ-CD2 3.81Å; F162-L207 HydrophobicContact CZ-CG 4.45Å; F162-L211 HydrophobicContact CE1-CD1 4.38Å
163K98.2Very high98.3Very high43 Ų4344.8 Ų44.819%0.18725%0.246CC..Hα-helixtrans-51.4-37.3170.4180-161.2170.7-169.20112.7E58 I61 E62 S161 L166 S167 F220E58-K163 HydrophobicContact CB-CD 4.44Å; E58-K163 VanDerWaalsContact CD-CE 3.49Å; E58-K163 HydrophobicContact CG-CD 4.03Å; E58-K163 WeakPolarHBondContact OE1-CE 3.42Å; E58-K163 IonicContact OE1-NZ 2.81Å; E58-K163 PolarHBondContact OE1-NZ 3.32Å; E58-K163 WeakPolarHBondContact OE2-CD 3.18Å; E58-K163 IonicContact OE2-NZ 3.47Å; E58-K163 PolarHBondContact OE2-NZ 3.23Å; I61-K163 HydrophobicContact CD1-CB 4.29Å; I61-K163 HydrophobicContact CD1-CG 4.09Å; I61-K163 HydrophobicContact CG2-CB 4.37Å; E62-K163 PolarHBondContact OE1-N 2.88Å; S161-K163 VanDerWaalsContact C-N 3.25Å; S161-K163 PolarHBondContact O-N 2.94Å; S161-K163 VanDerWaalsContact OG-CB 3.28Å; S161-K163 WeakPolarHBondContact OG-CB 3.37Å; S161-K163 PolarHBondContact OG-N 3.19Å; K163-L166 PolarHBondContact O-N 3.46Å; K163-S167 WeakPolarHBondContact O-CB 3.44Å; K163-S167 PolarHBondContact O-N 3.16Å; K163-S167 PolarHBondContact O-OG 3.19Å; K163-F220 HydrophobicContact CD-CZ 4.43Å; K163-F220 HydrophobicContact CG-CE1 4.11Å; K163-F220 HydrophobicContact CG-CZ 4.34Å
164N98.4Very high98.3Very high59 Ų5945.6 Ų45.632%0.31626%0.255SS..Hα-helixtrans-69.6-40.4178.9-67.4-26.1000111.4F158 S161 F162 S167 S168F158-N164 HydrophobicContact CB-CB 4.25Å; F158-N164 WeakPolarHBondContact O-CB 3.32Å; F158-N164 PolarHBondContact O-ND2 2.86Å; S161-N164 PolarHBondContact O-N 3.06Å; F162-N164 PolarHBondContact O-N 3.14Å; N164-S167 PolarHBondContact O-N 3.17Å; N164-S168 PolarHBondContact O-N 2.78Å; N164-S168 VanDerWaalsContact O-N 3.1Å
165A98.2Very high98.2Very high0 Ų050.4 Ų50.40%028%0.275CS..Hα-helixtrans-60.1-46.8171.700000111.4F158 F162 S167 S168 C169 L179F158-A165 HydrophobicContact CD1-CB 3.61Å; F158-A165 HydrophobicContact CD2-CB 4.21Å; F158-A165 HydrophobicContact CE1-CB 3.72Å; F158-A165 HydrophobicContact CE2-CB 4.3Å; F158-A165 HydrophobicContact CG-CB 3.87Å; F158-A165 HydrophobicContact CZ-CB 4.06Å; F162-A165 HydrophobicContact CD2-CB 3.97Å; F162-A165 HydrophobicContact CE2-CB 4.12Å; F162-A165 WeakPolarHBondContact O-CB 3.33Å; F162-A165 PolarHBondContact O-N 3.38Å; A165-S167 PolarHBondContact O-N 3.43Å; A165-S168 PolarHBondContact O-N 2.8Å; A165-S168 PolarHBondContact O-OG 2.94Å; A165-C169 PolarHBondContact O-SG 3.24Å; A165-C169 VanDerWaalsContact O-SG 3.35Å; A165-L179 HydrophobicContact CB-CD2 3.92Å
166L98.5Very high98.2Very high8 Ų847.9 Ų47.94%0.04226%0.263CS..Hα-helixtrans-58.6-47.2176.2174.460000111.9I61 F162 K163 S168 C169 L176 L211 F220 F223I61-L166 HydrophobicContact CD1-CD2 4.14Å; I61-L166 HydrophobicContact CG1-CD2 4.46Å; I61-L166 HydrophobicContact CG2-CD2 4.12Å; F162-L166 PolarHBondContact O-N 3.07Å; K163-L166 PolarHBondContact O-N 3.46Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 2.99Å; L166-C169 WeakPolarHBondContact O-CB 3.33Å; L166-C169 PolarHBondContact O-N 3.18Å; L166-C169 VanDerWaalsContact O-N 3.07Å; L166-L176 HydrophobicContact CD1-CD2 3.68Å; L166-L211 HydrophobicContact CD1-CD1 3.92Å; L166-L211 HydrophobicContact CD2-CD1 4.02Å; L166-L211 HydrophobicContact CD2-CD2 4.28Å; L166-F220 HydrophobicContact CD2-CB 3.99Å; L166-F220 HydrophobicContact CD2-CD1 4.27Å; L166-F223 HydrophobicContact CD1-CE1 4.01Å; L166-F223 HydrophobicContact CD1-CZ 3.9Å
167S98Very high98.2Very high61 Ų6142.7 Ų42.743%0.42724%0.239SC..Hα-helixtrans-62-34.4-179.5-58.60000112.2K163 N164 A165 C169 E170K163-S167 WeakPolarHBondContact O-CB 3.44Å; K163-S167 PolarHBondContact O-N 3.16Å; K163-S167 PolarHBondContact O-OG 3.19Å; N164-S167 PolarHBondContact O-N 3.17Å; A165-S167 PolarHBondContact O-N 3.43Å; S167-C169 PolarHBondContact O-N 3.25Å; S167-E170 PolarHBondContact O-N 3.09Å
168S97.8Very high98.2Very high67 Ų6745.3 Ų45.347%0.46925%0.246SC..THydrogen-bonded Turntrans-66.3-14.5177.280.10000114.4N164 A165 L166 L179N164-S168 PolarHBondContact O-N 2.78Å; N164-S168 VanDerWaalsContact O-N 3.1Å; A165-S168 PolarHBondContact O-N 2.8Å; A165-S168 PolarHBondContact O-OG 2.94Å; L166-S168 VanDerWaalsContact C-N 3.26Å; L166-S168 PolarHBondContact O-N 2.99Å; S168-L179 WeakPolarHBondContact OG-CD1 3.17Å
169C98.1Very high98.2Very high2 Ų245.3 Ų45.31%0.01425%0.247CC..THydrogen-bonded Turntrans-87.5-1.6-178.2-61.50000113.8A165 L166 S167 N171 S172 K175 L176A165-C169 PolarHBondContact O-SG 3.24Å; A165-C169 VanDerWaalsContact O-SG 3.35Å; L166-C169 WeakPolarHBondContact O-CB 3.33Å; L166-C169 PolarHBondContact O-N 3.18Å; L166-C169 VanDerWaalsContact O-N 3.07Å; S167-C169 PolarHBondContact O-N 3.25Å; C169-N171 VanDerWaalsContact C-N 3.26Å; C169-N171 PolarHBondContact O-N 3.43Å; C169-S172 PolarHBondContact O-N 2.85Å; C169-K175 HydrophobicContact CB-CB 4.09Å; C169-K175 WeakPolarHBondContact O-CD 3.39Å; C169-L176 HydrophobicContact CB-CB 4.12Å; C169-L176 WeakPolarHBondContact SG-CA 3.39Å
170E97.1Very high98.2Very high131 Ų13138.2 Ų38.261%0.61221%0.209SC*.THydrogen-bonded Turntrans5340.4172.9-57.9175.1162.700113.5S167 S172 K175S167-E170 PolarHBondContact O-N 3.09Å; E170-S172 VanDerWaalsContact C-N 3.27Å; E170-S172 PolarHBondContact O-N 3.18Å; E170-K175 IonicContact OE2-NZ 2.68Å; E170-K175 PolarHBondContact OE2-NZ 2.68Å
171N98.3Very high98.2Very high71 Ų7137.6 Ų37.638%0.3820%0.201SC..THydrogen-bonded Turntrans60.928.9-178.3-53.7-32.5000114.5C169 Y222 F223 H224C169-N171 VanDerWaalsContact C-N 3.26Å; C169-N171 PolarHBondContact O-N 3.43Å; N171-Y222 HydrophobicContact CB-CD1 3.93Å; N171-Y222 HydrophobicContact CB-CE1 4.37Å; N171-Y222 VanDerWaalsContact CB-O 3.31Å; N171-Y222 WeakPolarHBondContact CB-O 3.44Å; N171-F223 VanDerWaalsContact O-CA 3.25Å; N171-F223 WeakPolarHBondContact O-CA 3.27Å; N171-H224 PolarHBondContact O-CD2 2.97Å; N171-H224 PolarHBondContact O-N 2.84Å
172S98.7Very high98.1Very high8 Ų840.6 Ų40.66%0.05622%0.216CC..  trans-107119169.8169.60000111.3C169 E170 A174 K175 L176 D225C169-S172 PolarHBondContact O-N 2.85Å; E170-S172 VanDerWaalsContact C-N 3.27Å; E170-S172 PolarHBondContact O-N 3.18Å; S172-A174 VanDerWaalsContact C-N 3.32Å; S172-A174 PolarHBondContact OG-N 3.42Å; S172-K175 PolarHBondContact O-N 2.88Å; S172-K175 PolarHBondContact OG-N 3.3Å; S172-L176 PolarHBondContact O-N 3.49Å; S172-D225 WeakPolarHBondContact CA-OD1 3.18Å; S172-D225 WeakPolarHBondContact CB-OD2 3.43Å; S172-D225 PolarHBondContact OG-OD2 3.23Å
173A98.6Very high98.1Very high0 Ų045.5 Ų45.50%024%0.235CC..Hα-helixtrans-58.9-43.5171.200000110.8K175 L176 L177 V208 F223 D225 I229A173-K175 PolarHBondContact O-N 3.22Å; A173-L176 PolarHBondContact O-N 2.86Å; A173-L177 WeakPolarHBondContact O-CG 3.36Å; A173-L177 PolarHBondContact O-N 3.49Å; A173-V208 HydrophobicContact CB-CG1 3.81Å; A173-F223 HydrophobicContact CB-CB 4.12Å; A173-F223 HydrophobicContact CB-CD1 4.12Å; A173-F223 HydrophobicContact CB-CG 4.2Å; A173-D225 VanDerWaalsContact CB-OD1 3.3Å; A173-D225 WeakPolarHBondContact CB-OD1 3.37Å; A173-D225 PolarHBondContact N-OD1 3.06Å; A173-D225 PolarHBondContact N-OD2 2.68Å; A173-I229 HydrophobicContact CB-CD1 4.01Å; A173-I229 HydrophobicContact CB-CG1 4.1Å
174A97.9Very high98.1Very high38 Ų3843.5 Ų43.531%0.31423%0.226SC..Hα-helixtrans-63.3-41.6178.100000112.4S172 L176 L177 K178 D225S172-A174 VanDerWaalsContact C-N 3.32Å; S172-A174 PolarHBondContact OG-N 3.42Å; A174-L176 VanDerWaalsContact C-N 3.34Å; A174-L177 PolarHBondContact O-N 3.21Å; A174-K178 PolarHBondContact O-N 2.94Å; A174-D225 PolarHBondContact N-OD2 3.44Å
175K98.2Very high98Very high100 Ų10043.9 Ų43.944%0.43523%0.232SC..Hα-helixtrans-63.4-40173.5-72.4-176.6-177172.50111.6C169 E170 S172 A173 K178 L179C169-K175 HydrophobicContact CB-CB 4.09Å; C169-K175 WeakPolarHBondContact O-CD 3.39Å; E170-K175 IonicContact OE2-NZ 2.68Å; E170-K175 PolarHBondContact OE2-NZ 2.68Å; S172-K175 PolarHBondContact O-N 2.88Å; S172-K175 PolarHBondContact OG-N 3.3Å; A173-K175 PolarHBondContact O-N 3.22Å; K175-K178 PolarHBondContact O-N 3.43Å; K175-L179 WeakPolarHBondContact O-CB 3.48Å; K175-L179 PolarHBondContact O-N 3.01Å
176L98.7Very high98Very high0 Ų045 Ų450%024%0.239CC..Hα-helixtrans-65.3-43.8177.2-177.953.9000112.3F162 L166 C169 S172 A173 A174 K178 L179 L180 L207 V208 L211 F223F162-L176 HydrophobicContact CZ-CD1 4.04Å; L166-L176 HydrophobicContact CD1-CD2 3.68Å; C169-L176 HydrophobicContact CB-CB 4.12Å; C169-L176 WeakPolarHBondContact SG-CA 3.39Å; S172-L176 PolarHBondContact O-N 3.49Å; A173-L176 PolarHBondContact O-N 2.86Å; A174-L176 VanDerWaalsContact C-N 3.34Å; L176-K178 VanDerWaalsContact C-N 3.3Å; L176-K178 PolarHBondContact O-N 2.77Å; L176-L179 PolarHBondContact O-N 2.75Å; L176-L180 HydrophobicContact CD1-CD1 4.33Å; L176-L180 HydrophobicContact CD1-CG 4.21Å; L176-L180 HydrophobicContact CG-CD1 4.2Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 2.75Å; L176-L207 HydrophobicContact CD2-CD2 4.23Å; L176-V208 HydrophobicContact CD2-CG2 3.87Å; L176-V208 HydrophobicContact CG-CG2 4.14Å; L176-L211 HydrophobicContact CD2-CD1 4.09Å; L176-F223 HydrophobicContact CD2-CE1 3.87Å; L176-F223 HydrophobicContact CD2-CZ 3.95Å
177L98.3Very high98Very high18 Ų1844.6 Ų44.69%0.09424%0.238CC..Hα-helixtrans-58.6-43.4173.8-68.9-177.1000111.8A173 A174 L180 C181 A204 Q205 V208 I229A173-L177 WeakPolarHBondContact O-CG 3.36Å; A173-L177 PolarHBondContact O-N 3.49Å; A174-L177 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 2.98Å; L177-C181 PolarHBondContact O-N 2.9Å; L177-C181 PolarHBondContact O-SG 2.81Å; L177-A204 VanDerWaalsContact CD2-C 3.49Å; L177-A204 HydrophobicContact CD2-CB 3.61Å; L177-Q205 HydrophobicContact CD1-CG 4.18Å; L177-Q205 HydrophobicContact CD2-CG 3.96Å; L177-V208 HydrophobicContact CD2-CG2 3.96Å; L177-V208 HydrophobicContact CG-CG2 4.43Å; L177-I229 HydrophobicContact CD1-CD1 3.76Å; L177-I229 HydrophobicContact CD2-CD1 4.36Å; L177-I229 HydrophobicContact CG-CD1 4.17Å
178K97.4Very high97.9Very high136 Ų13646.3 Ų46.359%0.59124%0.235SC*.Hα-helixtrans-63-48.6176.2-177.9-179.2175.3-173.60111.5A174 K175 L176 L180 C181 D182A174-K178 PolarHBondContact O-N 2.94Å; K175-K178 PolarHBondContact O-N 3.43Å; L176-K178 VanDerWaalsContact C-N 3.3Å; L176-K178 PolarHBondContact O-N 2.77Å; K178-L180 VanDerWaalsContact C-N 3.31Å; K178-L180 PolarHBondContact O-N 3.32Å; K178-C181 WeakPolarHBondContact O-CB 3.49Å; K178-C181 PolarHBondContact O-N 3.43Å; K178-C181 VanDerWaalsContact O-N 3.11Å; K178-D182 WeakPolarHBondContact CE-OD2 3.33Å; K178-D182 PolarHBondContact O-N 2.94Å
179L98.4Very high98Very high18 Ų1843.2 Ų43.29%0.09421%0.213CC..Hα-helixtrans-58.5-44.3178.4-176.6151.7000111.2F158 A165 S168 K175 L176 C181 D182 Y183 F184F158-L179 HydrophobicContact CE1-CD1 4.11Å; F158-L179 HydrophobicContact CZ-CD1 4.14Å; F158-L179 HydrophobicContact CZ-CD2 3.96Å; F158-L179 HydrophobicContact CZ-CG 4.27Å; A165-L179 HydrophobicContact CB-CD2 3.92Å; S168-L179 WeakPolarHBondContact OG-CD1 3.17Å; K175-L179 WeakPolarHBondContact O-CB 3.48Å; K175-L179 PolarHBondContact O-N 3.01Å; L176-L179 PolarHBondContact O-N 2.75Å; L179-C181 VanDerWaalsContact C-N 3.3Å; L179-C181 PolarHBondContact O-N 3.33Å; L179-D182 PolarHBondContact O-N 3.38Å; L179-Y183 HydrophobicContact CD2-CD2 4.37Å; L179-Y183 HydrophobicContact CG-CD2 3.94Å; L179-Y183 HydrophobicContact CG-CE2 4.39Å; L179-Y183 PolarHBondContact O-N 3.02Å; L179-F184 HydrophobicContact CD2-CE2 4.12Å
180L98.5Very high97.9Very high0 Ų045.9 Ų45.90%022%0.223CC..Hα-helixtrans-57.7-44.8175.6-73.8168.9000111.2F65 F162 L176 L177 K178 F184 F187 A204 L207F65-L180 HydrophobicContact CE2-CD2 4.41Å; F162-L180 HydrophobicContact CE2-CD2 3.78Å; F162-L180 HydrophobicContact CZ-CD2 4.02Å; L176-L180 HydrophobicContact CD1-CD1 4.33Å; L176-L180 HydrophobicContact CD1-CG 4.21Å; L176-L180 HydrophobicContact CG-CD1 4.2Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 VanDerWaalsContact O-CG 3.28Å; L176-L180 WeakPolarHBondContact O-CG 3.3Å; L176-L180 PolarHBondContact O-N 2.75Å; L177-L180 PolarHBondContact O-N 2.98Å; K178-L180 VanDerWaalsContact C-N 3.31Å; K178-L180 PolarHBondContact O-N 3.32Å; L180-F184 HydrophobicContact CD2-CD2 4.04Å; L180-F184 HydrophobicContact CD2-CE2 4.45Å; L180-F184 CarbonylContact O-C 3.49Å; L180-F184 WeakPolarHBondContact O-CA 3.16Å; L180-F184 WeakPolarHBondContact O-CB 3.22Å; L180-F184 PolarHBondContact O-N 3.27Å; L180-F184 VanDerWaalsContact O-O 3.09Å; L180-F187 HydrophobicContact CB-CB 4.36Å; L180-F187 HydrophobicContact CB-CG 4.41Å; L180-F187 HydrophobicContact CD2-CD2 4.12Å; L180-F187 HydrophobicContact CD2-CE2 3.98Å; L180-F187 HydrophobicContact CD2-CZ 4.34Å; L180-A204 HydrophobicContact CB-CB 4.35Å; L180-A204 HydrophobicContact CD1-CB 3.8Å; L180-L207 HydrophobicContact CD1-CD1 4.05Å; L180-L207 HydrophobicContact CD1-CD2 4.28Å; L180-L207 HydrophobicContact CD2-CD1 4.03Å
181C97.3Very high98Very high4 Ų440.2 Ų40.23%0.02720%0.198CC..Hα-helixtrans-66.6-38.9176.2-66.10000112.6L177 K178 L179 R188 Y190 L201L177-C181 PolarHBondContact O-N 2.9Å; L177-C181 PolarHBondContact O-SG 2.81Å; K178-C181 WeakPolarHBondContact O-CB 3.49Å; K178-C181 PolarHBondContact O-N 3.43Å; K178-C181 VanDerWaalsContact O-N 3.11Å; L179-C181 VanDerWaalsContact C-N 3.3Å; L179-C181 PolarHBondContact O-N 3.33Å; C181-R188 HydrophobicContact CB-CG 4.41Å; C181-R188 VanDerWaalsContact O-CZ 3.29Å; C181-R188 PolarHBondContact O-NE 3.23Å; C181-R188 PolarHBondContact O-NH2 2.94Å; C181-Y190 WeakPolarHBondContact CB-OH 3.5Å; C181-Y190 PolarHBondContact SG-OH 3.06Å; C181-L201 VanDerWaalsContact SG-CD2 3.6Å
182D97.3Very high97.9Very high89 Ų8941.8 Ų41.848%0.47621%0.205SC..Hα-helixtrans-70.2-46.3-176.7-72.5-18.1000111.3K178 L179 R188K178-D182 WeakPolarHBondContact CE-OD2 3.33Å; K178-D182 PolarHBondContact O-N 2.94Å; L179-D182 PolarHBondContact O-N 3.38Å; D182-R188 PolarHBondContact O-NH2 2.82Å
183Y98.3Very high97.9Very high102 Ų10241.6 Ų41.640%0.420%0.204SC..Hα-helixtrans-96.5-26.4-172.5-74.3-91.9000114.7T153 N157 F158 L179 P185T153-Y183 HydrophobicContact CG2-CD1 4.24Å; T153-Y183 WeakPolarHBondContact CG2-O 3.47Å; N157-Y183 HydrophobicContact CB-CD1 4.17Å; N157-Y183 HydrophobicContact CB-CE1 3.98Å; F158-Y183 AromaticContact CE2-CD1 3.66Å; F158-Y183 HydrophobicContact CE2-CD1 3.66Å; F158-Y183 HydrophobicContact CE2-CD2 4.42Å; F158-Y183 HydrophobicContact CE2-CE1 4.18Å; F158-Y183 AromaticContact CE2-CG 3.79Å; F158-Y183 HydrophobicContact CE2-CG 3.79Å; F158-Y183 AromaticContact CZ-CD1 3.8Å; F158-Y183 HydrophobicContact CZ-CD1 3.8Å; F158-Y183 AromaticContact CZ-CD2 3.93Å; F158-Y183 HydrophobicContact CZ-CD2 3.93Å; F158-Y183 AromaticContact CZ-CE1 3.98Å; F158-Y183 HydrophobicContact CZ-CE1 3.98Å; F158-Y183 HydrophobicContact CZ-CE2 4.11Å; F158-Y183 AromaticContact CZ-CG 3.76Å; F158-Y183 HydrophobicContact CZ-CG 3.76Å; L179-Y183 HydrophobicContact CD2-CD2 4.37Å; L179-Y183 HydrophobicContact CG-CD2 3.94Å; L179-Y183 HydrophobicContact CG-CE2 4.39Å; L179-Y183 PolarHBondContact O-N 3.02Å; Y183-P185 WeakPolarHBondContact O-CD 2.86Å
184F98.3Very high97.9Very high2 Ų245.7 Ų45.71%0.00922%0.221CC..  trans-123.385-173.2-56.7-90.2000110.8F65 A150 T153 L154 F158 L179 L180 S186 F187F65-F184 HydrophobicContact CE2-CD1 4.41Å; F65-F184 HydrophobicContact CE2-CE1 4.2Å; F65-F184 HydrophobicContact CE2-CZ 4.35Å; F65-F184 AromaticContact CZ-CD1 3.91Å; F65-F184 HydrophobicContact CZ-CD1 3.91Å; F65-F184 AromaticContact CZ-CE1 3.59Å; F65-F184 HydrophobicContact CZ-CE1 3.59Å; F65-F184 HydrophobicContact CZ-CZ 4.09Å; A150-F184 HydrophobicContact CB-CD1 3.99Å; A150-F184 HydrophobicContact CB-CE1 4.17Å; T153-F184 HydrophobicContact CG2-CD1 4.15Å; T153-F184 HydrophobicContact CG2-CE1 3.75Å; T153-F184 HydrophobicContact CG2-CE2 4.39Å; T153-F184 HydrophobicContact CG2-CZ 3.89Å; L154-F184 HydrophobicContact CD2-CE1 4.27Å; L154-F184 HydrophobicContact CD2-CZ 3.73Å; L154-F184 HydrophobicContact CG-CE1 4.05Å; L154-F184 HydrophobicContact CG-CZ 4.03Å; F158-F184 HydrophobicContact CD2-CZ 4.36Å; F158-F184 HydrophobicContact CE2-CE2 4.16Å; F158-F184 HydrophobicContact CE2-CZ 4.21Å; L179-F184 HydrophobicContact CD2-CE2 4.12Å; L180-F184 HydrophobicContact CD2-CD2 4.04Å; L180-F184 HydrophobicContact CD2-CE2 4.45Å; L180-F184 CarbonylContact O-C 3.49Å; L180-F184 WeakPolarHBondContact O-CA 3.16Å; L180-F184 WeakPolarHBondContact O-CB 3.22Å; L180-F184 PolarHBondContact O-N 3.27Å; L180-F184 VanDerWaalsContact O-O 3.09Å; F184-S186 PolarHBondContact O-N 3.16Å; F184-F187 HydrophobicContact CB-CD2 3.53Å; F184-F187 HydrophobicContact CB-CE2 4.03Å; F184-F187 HydrophobicContact CG-CD2 4.4Å; F184-F187 HydrophobicContact CG-CE2 4.49Å; F184-F187 PolarHBondContact O-N 2.84Å
185P96.7Very high97.8Very high67 Ų6747.2 Ų47.244%0.43524%0.241SC..G310 helixtrans-55.8-24.7-172-28.635000115.8Y183 F187 R188Y183-P185 WeakPolarHBondContact O-CD 2.86Å; P185-F187 PolarHBondContact O-N 2.79Å; P185-R188 VanDerWaalsContact O-CB 3.28Å; P185-R188 WeakPolarHBondContact O-CB 3.38Å; P185-R188 WeakPolarHBondContact O-CG 3.44Å; P185-R188 PolarHBondContact O-N 3.43Å; P185-R188 VanDerWaalsContact O-N 3.09Å
186S97.3Very high97.7Very high22 Ų2246.3 Ų46.315%0.15424%0.237CC..G310 helixtrans-59.6-29.4174.955.50000112.3L69 F184 R188 R203 Y328L69-S186 WeakPolarHBondContact CD1-OG 3.19Å; F184-S186 PolarHBondContact O-N 3.16Å; S186-R188 VanDerWaalsContact C-N 3.28Å; S186-R188 PolarHBondContact O-N 2.8Å; S186-R203 VanDerWaalsContact C-NH2 3.34Å; S186-R203 PolarHBondContact O-NH2 2.94Å; S186-Y328 WeakPolarHBondContact O-CE1 3.42Å
187F98.4Very high97.7Very high1 Ų149.4 Ų49.40%0.00425%0.251CS..G310 helixtrans-78.3-6.2177.5-71-80.6000114.3F65 L69 L180 F184 P185 D189 R203 A204 L207F65-F187 HydrophobicContact CE2-CE2 4.13Å; F65-F187 HydrophobicContact CE2-CZ 4.38Å; L69-F187 HydrophobicContact CB-CZ 4.29Å; L69-F187 HydrophobicContact CD1-CE2 3.89Å; L69-F187 HydrophobicContact CD1-CZ 4.23Å; L180-F187 HydrophobicContact CB-CB 4.36Å; L180-F187 HydrophobicContact CB-CG 4.41Å; L180-F187 HydrophobicContact CD2-CD2 4.12Å; L180-F187 HydrophobicContact CD2-CE2 3.98Å; L180-F187 HydrophobicContact CD2-CZ 4.34Å; F184-F187 HydrophobicContact CB-CD2 3.53Å; F184-F187 HydrophobicContact CB-CE2 4.03Å; F184-F187 HydrophobicContact CG-CD2 4.4Å; F184-F187 HydrophobicContact CG-CE2 4.49Å; F184-F187 PolarHBondContact O-N 2.84Å; P185-F187 PolarHBondContact O-N 2.79Å; F187-D189 PolarHBondContact O-N 3.47Å; F187-R203 HydrophobicContact CD1-CB 3.64Å; F187-R203 HydrophobicContact CE1-CB 3.69Å; F187-R203 WeakPolarHBondContact CE1-O 3.42Å; F187-A204 HydrophobicContact CB-CB 4.24Å; F187-A204 HydrophobicContact CD1-CB 3.88Å; F187-A204 HydrophobicContact CG-CB 4.38Å; F187-L207 HydrophobicContact CE1-CD1 4.25Å; F187-L207 HydrophobicContact CZ-CD1 3.96Å
188R97.2Very high97.7Very high96 Ų9648.6 Ų48.636%0.36225%0.247SC..  trans-74.967.9-178.8-64.1176.5-176.1166.64.8112.8C181 D182 P185 S186 Y190 Y328C181-R188 HydrophobicContact CB-CG 4.41Å; C181-R188 VanDerWaalsContact O-CZ 3.29Å; C181-R188 PolarHBondContact O-NE 3.23Å; C181-R188 PolarHBondContact O-NH2 2.94Å; D182-R188 PolarHBondContact O-NH2 2.82Å; P185-R188 VanDerWaalsContact O-CB 3.28Å; P185-R188 WeakPolarHBondContact O-CB 3.38Å; P185-R188 WeakPolarHBondContact O-CG 3.44Å; P185-R188 PolarHBondContact O-N 3.43Å; P185-R188 VanDerWaalsContact O-N 3.09Å; S186-R188 VanDerWaalsContact C-N 3.28Å; S186-R188 PolarHBondContact O-N 2.8Å; R188-Y190 VanDerWaalsContact C-N 3.28Å; R188-Y190 HydrophobicContact CB-CD2 3.85Å; R188-Y190 HydrophobicContact CB-CE2 3.71Å; R188-Y190 HydrophobicContact CG-CD2 4.5Å; R188-Y190 HydrophobicContact CG-CE2 3.89Å; R188-Y190 PolarHBondContact O-N 3.46Å; R188-Y328 WeakPolarHBondContact O-CE1 3.39Å
189D98.2Very high97.7Very high2 Ų242.2 Ų42.21%0.01122%0.22CC..  trans-79.278.4177.2-18012.5000110.3F187 S199 F200 L201 K202 R274 Y328F187-D189 PolarHBondContact O-N 3.47Å; D189-S199 WeakPolarHBondContact O-CA 3.18Å; D189-F200 PolarHBondContact O-N 3.18Å; D189-F200 WeakPolarHBondContact OD2-CB 3.2Å; D189-L201 HydrophobicContact CB-CD2 4.4Å; D189-L201 PolarHBondContact OD2-N 3.39Å; D189-K202 PolarHBondContact OD2-N 3.5Å; D189-R274 IonicContact OD1-CZ 3.95Å; D189-R274 IonicContact OD1-NH1 2.72Å; D189-R274 PolarHBondContact OD1-NH1 2.97Å; D189-R274 IonicContact OD1-NH2 2.66Å; D189-R274 IonicContact OD2-CZ 2.65Å; D189-R274 IonicContact OD2-NH1 2.99Å; D189-R274 PolarHBondContact OD2-NH1 3.45Å; D189-R274 IonicContact OD2-NH2 3.46Å; D189-R274 PolarHBondContact OD2-NH2 3.1Å; D189-Y328 HydrophobicContact CB-CD1 3.67Å; D189-Y328 HydrophobicContact CB-CE1 4.4Å; D189-Y328 HydrophobicContact CB-CG 3.86Å
190Y97.9Very high97.7Very high59 Ų5941.4 Ų41.423%0.23122%0.215CC..EExtended strand (participates in β ladder)trans-113.9153.5-177.9-59.3-36.3000111.4Y3 C181 R188 V198 S199 L201Y3-Y190 AromaticContact CD1-CD1 3.63Å; Y3-Y190 HydrophobicContact CD1-CD1 3.63Å; Y3-Y190 AromaticContact CD1-CD2 3.89Å; Y3-Y190 HydrophobicContact CD1-CD2 3.89Å; Y3-Y190 HydrophobicContact CD1-CE1 4.06Å; Y3-Y190 HydrophobicContact CD1-CE2 4.29Å; Y3-Y190 AromaticContact CD1-CG 3.54Å; Y3-Y190 HydrophobicContact CD1-CG 3.54Å; Y3-Y190 HydrophobicContact CD2-CD2 4.41Å; Y3-Y190 HydrophobicContact CD2-CE1 4.4Å; Y3-Y190 HydrophobicContact CD2-CE2 4.08Å; Y3-Y190 HydrophobicContact CE1-CD1 4.09Å; Y3-Y190 AromaticContact CE1-CD2 3.51Å; Y3-Y190 HydrophobicContact CE1-CD2 3.51Å; Y3-Y190 HydrophobicContact CE1-CE2 4.14Å; Y3-Y190 AromaticContact CE1-CG 3.49Å; Y3-Y190 HydrophobicContact CE1-CG 3.49Å; Y3-Y190 VanDerWaalsContact CE1-CG 3.49Å; Y3-Y190 HydrophobicContact CE2-CD2 4.06Å; Y3-Y190 AromaticContact CE2-CE2 3.89Å; Y3-Y190 HydrophobicContact CE2-CE2 3.89Å; Y3-Y190 HydrophobicContact CG-CD1 4.02Å; Y3-Y190 HydrophobicContact CG-CD2 4.34Å; Y3-Y190 AromaticContact CG-CE1 3.95Å; Y3-Y190 HydrophobicContact CG-CE1 3.95Å; Y3-Y190 HydrophobicContact CG-CE2 4.29Å; Y3-Y190 HydrophobicContact CG-CG 4.22Å; Y3-Y190 AromaticContact CZ-CD2 3.6Å; Y3-Y190 AromaticContact CZ-CE2 3.93Å; C181-Y190 WeakPolarHBondContact CB-OH 3.5Å; C181-Y190 PolarHBondContact SG-OH 3.06Å; R188-Y190 VanDerWaalsContact C-N 3.28Å; R188-Y190 HydrophobicContact CB-CD2 3.85Å; R188-Y190 HydrophobicContact CB-CE2 3.71Å; R188-Y190 HydrophobicContact CG-CD2 4.5Å; R188-Y190 HydrophobicContact CG-CE2 3.89Å; R188-Y190 PolarHBondContact O-N 3.46Å; Y190-V198 WeakPolarHBondContact CA-O 3.43Å; Y190-S199 VanDerWaalsContact CD1-CB 3.48Å; Y190-L201 HydrophobicContact CD1-CD2 4.24Å; Y190-L201 HydrophobicContact CE1-CD2 3.71Å
191S97.7Very high97.7Very high11 Ų1142 Ų428%0.07722%0.219CC..EExtended strand (participates in β ladder)trans-145.6164.4173.7-750000111.3V198S191-V198 PolarHBondContact N-O 3.37Å; S191-V198 WeakPolarHBondContact O-CG2 3.41Å; S191-V198 PolarHBondContact O-N 3.34Å
192L97.8Very high97.8Very high104 Ų10442 Ų4255%0.54522%0.218SC..EExtended strand (participates in β ladder)trans-109.8115.3172.4-178.668.8000108.2
193Y98.3Very high97.9Very high4 Ų437.9 Ų37.92%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-122.7119-179.1-174.5-95.4000110.2F12 V13 N16 G195 K196 E268 V271 E272F12-Y193 HydrophobicContact CD1-CD1 4.41Å; F12-Y193 HydrophobicContact CE1-CD1 4.07Å; V13-Y193 HydrophobicContact CB-CD1 4.27Å; V13-Y193 HydrophobicContact CB-CE1 4.24Å; V13-Y193 HydrophobicContact CG1-CD1 4.32Å; V13-Y193 HydrophobicContact CG1-CD2 4.47Å; V13-Y193 HydrophobicContact CG1-CE1 4.01Å; V13-Y193 HydrophobicContact CG1-CE2 4.14Å; V13-Y193 HydrophobicContact CG2-CD1 3.77Å; V13-Y193 HydrophobicContact CG2-CE1 4.23Å; V13-Y193 HydrophobicContact CG2-CG 3.93Å; N16-Y193 HydrophobicContact CB-CE1 4.15Å; N16-Y193 PolarHBondContact O-OH 2.89Å; Y193-G195 PolarHBondContact O-N 3.3Å; Y193-G195 VanDerWaalsContact O-N 3.07Å; Y193-K196 PolarHBondContact N-O 3.44Å; Y193-K196 PolarHBondContact O-N 3.09Å; Y193-E268 HydrophobicContact CE2-CB 4.29Å; Y193-E268 HydrophobicContact CE2-CG 3.9Å; Y193-V271 HydrophobicContact CD2-CB 4Å; Y193-V271 HydrophobicContact CD2-CG1 3.52Å; Y193-V271 HydrophobicContact CE2-CG1 4.25Å; Y193-V271 HydrophobicContact CG-CG1 3.92Å; Y193-E272 HydrophobicContact CE2-CG 3.87Å; Y193-E272 PolarHBondContact OH-OE1 3.32Å
194K97.1Very high97.9Very high86 Ų8633 Ų3337%0.37418%0.177SC..THydrogen-bonded Turntrans44.245-179.3-62.8-174.1178.5174.20112.9N16 E18 K196 E268N16-K194 HydrophobicContact CB-CD 4.11Å; N16-K194 PolarHBondContact O-NZ 3.23Å; E18-K194 IonicContact OE1-NZ 2.7Å; E18-K194 PolarHBondContact OE1-NZ 3.37Å; K194-K196 PolarHBondContact O-N 3.22Å; K194-E268 WeakPolarHBondContact CE-OE1 3.4Å; K194-E268 IonicContact NZ-OE1 3.56Å; K194-E268 PolarHBondContact NZ-OE1 3.5Å
195G95.9Very high97.9Very high70 Ų7033 Ų3372%0.72218%0.177SC*.THydrogen-bonded Turntrans82.60.7178.300000116.1Y193Y193-G195 PolarHBondContact O-N 3.3Å; Y193-G195 VanDerWaalsContact O-N 3.07Å
196K97.3Very high98Very high82 Ų8230.8 Ų30.836%0.35716%0.161SC..EExtended strand (participates in β ladder)trans-112.8137.8179.4-158.3171.4-167.5178.50112.3L4 F12 Y193 K194 V198L4-K196 HydrophobicContact CD1-CD 3.78Å; L4-K196 VanDerWaalsContact CD1-CE 3.47Å; L4-K196 HydrophobicContact CD1-CG 4.39Å; L4-K196 HydrophobicContact CG-CD 4.47Å; F12-K196 HydrophobicContact CD1-CB 4.08Å; F12-K196 HydrophobicContact CD1-CD 3.68Å; F12-K196 HydrophobicContact CD1-CG 4.38Å; F12-K196 HydrophobicContact CD2-CD 3.69Å; F12-K196 HydrophobicContact CE1-CB 3.41Å; F12-K196 VanDerWaalsContact CE1-CB 3.41Å; F12-K196 HydrophobicContact CE1-CD 3.62Å; F12-K196 HydrophobicContact CE1-CG 4.11Å; F12-K196 HydrophobicContact CE2-CD 3.64Å; F12-K196 HydrophobicContact CG-CD 3.71Å; F12-K196 HydrophobicContact CZ-CB 3.7Å; F12-K196 HydrophobicContact CZ-CD 3.6Å; F12-K196 HydrophobicContact CZ-CG 4.31Å; Y193-K196 PolarHBondContact N-O 3.44Å; Y193-K196 PolarHBondContact O-N 3.09Å; K194-K196 PolarHBondContact O-N 3.22Å; K196-V198 PolarHBondContact O-N 2.95Å
197H97.8Very high98Very high65 Ų6529.8 Ų29.830%0.30115%0.154SC..EExtended strand (participates in β ladder)trans-77.5119174.2-71.2-64.8000110.9Y3 L4Y3-H197 HydrophobicContact CD1-CB 3.65Å; Y3-H197 HydrophobicContact CE1-CB 3.88Å; Y3-H197 AromaticContact CE1-ND1 3.91Å; Y3-H197 HydrophobicContact CG-CB 4.36Å; L4-H197 PolarHBondContact N-O 2.7Å
198V98.5Very high98Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-118.1158.6-178.8-64.80000110.4S9 F12 V13 Y190 S191 K196 V271S9-V198 WeakPolarHBondContact OG-CA 3.46Å; F12-V198 HydrophobicContact CD1-CG1 4.27Å; V13-V198 HydrophobicContact CG2-CG1 4.07Å; Y190-V198 WeakPolarHBondContact CA-O 3.43Å; S191-V198 PolarHBondContact N-O 3.37Å; S191-V198 WeakPolarHBondContact O-CG2 3.41Å; S191-V198 PolarHBondContact O-N 3.34Å; K196-V198 PolarHBondContact O-N 2.95Å; V198-V271 HydrophobicContact CG2-CG1 4.27Å
199S98.3Very high98.1Very high3 Ų325.1 Ų25.12%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-135.4151.4178.274.80000112L4 P6 S9 D189 Y190L4-S199 WeakPolarHBondContact O-CB 3.14Å; L4-S199 PolarHBondContact O-OG 2.78Å; P6-S199 WeakPolarHBondContact CA-O 3.44Å; S9-S199 WeakPolarHBondContact CB-O 3.42Å; S9-S199 PolarHBondContact OG-N 3.26Å; S9-S199 PolarHBondContact OG-O 2.75Å; D189-S199 WeakPolarHBondContact O-CA 3.18Å; Y190-S199 VanDerWaalsContact CD1-CB 3.48Å
200F98.7Very high98.1Very high1 Ų125.4 Ų25.40%0.00414%0.138CC..  trans-124.6-30.9174.2-64-70.7000112.2D189 K202 Q205 V271 R274 A275 I278D189-F200 PolarHBondContact O-N 3.18Å; D189-F200 WeakPolarHBondContact OD2-CB 3.2Å; F200-K202 PolarHBondContact O-N 3.34Å; F200-Q205 PolarHBondContact O-NE2 2.92Å; F200-V271 HydrophobicContact CE2-CB 4.45Å; F200-V271 HydrophobicContact CE2-CG1 4.07Å; F200-V271 HydrophobicContact CE2-CG2 4.33Å; F200-V271 HydrophobicContact CZ-CB 4.43Å; F200-V271 HydrophobicContact CZ-CG1 3.83Å; F200-V271 WeakPolarHBondContact CZ-O 3.48Å; F200-R274 HydrophobicContact CD1-CB 3.82Å; F200-R274 HydrophobicContact CD2-CB 4.46Å; F200-R274 HydrophobicContact CE1-CB 3.57Å; F200-R274 HydrophobicContact CE2-CB 4.22Å; F200-R274 HydrophobicContact CG-CB 4.27Å; F200-R274 HydrophobicContact CZ-CB 3.77Å; F200-A275 HydrophobicContact CE1-CB 4.17Å; F200-A275 HydrophobicContact CZ-CB 4.42Å; F200-I278 HydrophobicContact CD1-CD1 3.72Å; F200-I278 HydrophobicContact CE1-CD1 4.38Å
201L98.4Very high98.1Very high13 Ų1322.6 Ų22.67%0.06813%0.127CC..  trans50.533172.1-56-173.8000114P6 C181 D189 Y190 R203 A204 Q205P6-L201 HydrophobicContact CG-CB 4.34Å; P6-L201 HydrophobicContact CG-CD1 4.34Å; P6-L201 HydrophobicContact CG-CG 4.36Å; C181-L201 VanDerWaalsContact SG-CD2 3.6Å; D189-L201 HydrophobicContact CB-CD2 4.4Å; D189-L201 PolarHBondContact OD2-N 3.39Å; Y190-L201 HydrophobicContact CD1-CD2 4.24Å; Y190-L201 HydrophobicContact CE1-CD2 3.71Å; L201-R203 PolarHBondContact O-N 3.07Å; L201-A204 HydrophobicContact CB-CB 4.27Å; L201-A204 WeakPolarHBondContact O-CB 3.18Å; L201-A204 PolarHBondContact O-N 3.3Å; L201-Q205 HydrophobicContact CB-CG 4.21Å; L201-Q205 WeakPolarHBondContact O-CG 3.42Å; L201-Q205 PolarHBondContact O-N 2.95Å
202K98.5Very high98.1Very high3 Ų323.6 Ų23.61%0.01313%0.129CC..Hα-helixtrans-53.3-53.2-167.5179.9-79.6-162.3173.60112.7N71 D189 F200 A204 Q205 I206 F232N71-K202 PolarHBondContact O-NZ 2.87Å; N71-K202 PolarHBondContact OD1-NZ 3.4Å; D189-K202 PolarHBondContact OD2-N 3.5Å; F200-K202 PolarHBondContact O-N 3.34Å; K202-A204 VanDerWaalsContact C-N 3.29Å; K202-A204 PolarHBondContact O-N 2.68Å; K202-Q205 PolarHBondContact O-N 2.59Å; K202-I206 WeakPolarHBondContact O-CG2 3.45Å; K202-I206 PolarHBondContact O-N 3.46Å; K202-F232 HydrophobicContact CD-CB 4.48Å; K202-F232 HydrophobicContact CG-CB 4.05Å
203R98.5Very high98Very high3 Ų319 Ų191%0.01110%0.104CC..Hα-helixtrans-64.5-30.8179.1-75.9-172.4-51.3-172.6-13.6113.5S68 L69 N71 S186 F187 L201 I206 L207 I327 Y328S68-R203 VanDerWaalsContact O-CD 3.28Å; S68-R203 WeakPolarHBondContact O-CD 3.38Å; L69-R203 PolarHBondContact O-NH1 3.38Å; N71-R203 HydrophobicContact CB-CG 4.48Å; N71-R203 WeakPolarHBondContact O-CG 3.4Å; S186-R203 VanDerWaalsContact C-NH2 3.34Å; S186-R203 PolarHBondContact O-NH2 2.94Å; F187-R203 HydrophobicContact CD1-CB 3.64Å; F187-R203 HydrophobicContact CE1-CB 3.69Å; F187-R203 WeakPolarHBondContact CE1-O 3.42Å; L201-R203 PolarHBondContact O-N 3.07Å; R203-I206 WeakPolarHBondContact O-CG2 3Å; R203-L207 WeakPolarHBondContact O-CB 3.42Å; R203-L207 PolarHBondContact O-N 2.71Å; R203-I327 PolarHBondContact NE-O 2.95Å; R203-I327 VanDerWaalsContact NE-O 3.16Å; R203-I327 PolarHBondContact NH1-O 3.3Å; R203-I327 PolarHBondContact NH2-O 2.95Å; R203-Y328 WeakPolarHBondContact CG-O 3.4Å
204A98.6Very high97.9Very high0 Ų019 Ų190%011%0.105CC..Hα-helixtrans-74.9-41.6177.900000110.2L177 L180 F187 L201 K202 L207 V208L177-A204 VanDerWaalsContact CD2-C 3.49Å; L177-A204 HydrophobicContact CD2-CB 3.61Å; L180-A204 HydrophobicContact CB-CB 4.35Å; L180-A204 HydrophobicContact CD1-CB 3.8Å; F187-A204 HydrophobicContact CB-CB 4.24Å; F187-A204 HydrophobicContact CD1-CB 3.88Å; F187-A204 HydrophobicContact CG-CB 4.38Å; L201-A204 HydrophobicContact CB-CB 4.27Å; L201-A204 WeakPolarHBondContact O-CB 3.18Å; L201-A204 PolarHBondContact O-N 3.3Å; K202-A204 VanDerWaalsContact C-N 3.29Å; K202-A204 PolarHBondContact O-N 2.68Å; A204-L207 WeakPolarHBondContact O-CB 3.36Å; A204-L207 PolarHBondContact O-N 3.3Å; A204-V208 WeakPolarHBondContact O-CG2 3.3Å; A204-V208 PolarHBondContact O-N 3.02Å
205Q98.7Very high97.9Very high1 Ų115.7 Ų15.71%0.0059%0.09CC..Hα-helixtrans-65.6-43.6177.4-68.9-163.694.900112.4L177 F200 L201 K202 L207 V208 G209 I229 T230 F232L177-Q205 HydrophobicContact CD1-CG 4.18Å; L177-Q205 HydrophobicContact CD2-CG 3.96Å; F200-Q205 PolarHBondContact O-NE2 2.92Å; L201-Q205 HydrophobicContact CB-CG 4.21Å; L201-Q205 WeakPolarHBondContact O-CG 3.42Å; L201-Q205 PolarHBondContact O-N 2.95Å; K202-Q205 PolarHBondContact O-N 2.59Å; Q205-L207 VanDerWaalsContact C-N 3.31Å; Q205-L207 PolarHBondContact O-N 2.85Å; Q205-V208 PolarHBondContact O-N 2.97Å; Q205-G209 PolarHBondContact O-N 2.92Å; Q205-I229 HydrophobicContact CB-CG2 4.14Å; Q205-I229 HydrophobicContact CG-CD1 4.49Å; Q205-T230 PolarHBondContact NE2-OG1 3.38Å; Q205-T230 PolarHBondContact OE1-OG1 2.93Å; Q205-F232 VanDerWaalsContact C-CE1 3.43Å; Q205-F232 HydrophobicContact CB-CD1 3.78Å; Q205-F232 HydrophobicContact CB-CE1 3.86Å; Q205-F232 WeakPolarHBondContact O-CE1 3.39Å
206I98.2Very high97.8Very high21 Ų2116.7 Ų16.711%0.1088%0.076CC..Hα-helixtrans-65.6-34.4177.1-166.6163.1000112.1K202 R203 V208 G209 D210 F232K202-I206 WeakPolarHBondContact O-CG2 3.45Å; K202-I206 PolarHBondContact O-N 3.46Å; R203-I206 WeakPolarHBondContact O-CG2 3Å; I206-V208 VanDerWaalsContact C-N 3.34Å; I206-V208 PolarHBondContact O-N 3.19Å; I206-G209 PolarHBondContact O-N 3.16Å; I206-D210 VanDerWaalsContact O-CB 3.32Å; I206-D210 WeakPolarHBondContact O-CB 3.34Å; I206-D210 VanDerWaalsContact O-CG 3.27Å; I206-D210 PolarHBondContact O-N 2.96Å; I206-F232 HydrophobicContact CB-CB 4.49Å; I206-F232 HydrophobicContact CB-CD1 4.12Å; I206-F232 HydrophobicContact CB-CD2 3.8Å; I206-F232 HydrophobicContact CB-CE1 4.32Å; I206-F232 HydrophobicContact CB-CE2 4Å; I206-F232 HydrophobicContact CB-CG 3.86Å; I206-F232 HydrophobicContact CB-CZ 4.26Å; I206-F232 HydrophobicContact CD1-CD2 3.74Å; I206-F232 HydrophobicContact CD1-CE2 4.22Å; I206-F232 HydrophobicContact CD1-CG 4.37Å; I206-F232 HydrophobicContact CG1-CD2 3.63Å; I206-F232 HydrophobicContact CG1-CE2 3.69Å; I206-F232 HydrophobicContact CG1-CG 4.23Å; I206-F232 HydrophobicContact CG1-CZ 4.34Å
207L98.7Very high97.7Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-57.9-48.2172.9-178.1164.8000110.8I64 F65 S68 F162 L176 L180 F187 R203 A204 Q205 G209 D210 L211I64-L207 HydrophobicContact CG2-CG 4.46Å; F65-L207 HydrophobicContact CD2-CD1 3.83Å; F65-L207 HydrophobicContact CE2-CD1 4.45Å; S68-L207 WeakPolarHBondContact OG-CA 3.38Å; F162-L207 HydrophobicContact CE1-CD1 4.21Å; F162-L207 HydrophobicContact CE1-CD2 3.84Å; F162-L207 HydrophobicContact CE1-CG 4.47Å; F162-L207 HydrophobicContact CZ-CD1 3.87Å; F162-L207 HydrophobicContact CZ-CD2 3.81Å; F162-L207 HydrophobicContact CZ-CG 4.45Å; L176-L207 HydrophobicContact CD2-CD2 4.23Å; L180-L207 HydrophobicContact CD1-CD1 4.05Å; L180-L207 HydrophobicContact CD1-CD2 4.28Å; L180-L207 HydrophobicContact CD2-CD1 4.03Å; F187-L207 HydrophobicContact CE1-CD1 4.25Å; F187-L207 HydrophobicContact CZ-CD1 3.96Å; R203-L207 WeakPolarHBondContact O-CB 3.42Å; R203-L207 PolarHBondContact O-N 2.71Å; A204-L207 WeakPolarHBondContact O-CB 3.36Å; A204-L207 PolarHBondContact O-N 3.3Å; Q205-L207 VanDerWaalsContact C-N 3.31Å; Q205-L207 PolarHBondContact O-N 2.85Å; L207-G209 VanDerWaalsContact C-N 3.33Å; L207-G209 PolarHBondContact O-N 3.32Å; L207-D210 PolarHBondContact O-N 3.44Å; L207-L211 HydrophobicContact CD2-CD1 3.57Å; L207-L211 HydrophobicContact CD2-CG 4.21Å; L207-L211 WeakPolarHBondContact O-CG 3.19Å; L207-L211 PolarHBondContact O-N 3.45Å
208V98.6Very high97.6Very high0 Ų017.1 Ų17.10%08%0.082CC..Hα-helixtrans-61.8-43.9176.7-177.20000110.8A173 L176 L177 A204 Q205 I206 L211 W212 F223 I226 I229A173-V208 HydrophobicContact CB-CG1 3.81Å; L176-V208 HydrophobicContact CD2-CG2 3.87Å; L176-V208 HydrophobicContact CG-CG2 4.14Å; L177-V208 HydrophobicContact CD2-CG2 3.96Å; L177-V208 HydrophobicContact CG-CG2 4.43Å; A204-V208 WeakPolarHBondContact O-CG2 3.3Å; A204-V208 PolarHBondContact O-N 3.02Å; Q205-V208 PolarHBondContact O-N 2.97Å; I206-V208 VanDerWaalsContact C-N 3.34Å; I206-V208 PolarHBondContact O-N 3.19Å; V208-L211 PolarHBondContact O-N 3.29Å; V208-W212 WeakPolarHBondContact O-CB 3.47Å; V208-W212 PolarHBondContact O-N 3.25Å; V208-F223 HydrophobicContact CG1-CD2 4.02Å; V208-F223 HydrophobicContact CG1-CE1 4.36Å; V208-F223 HydrophobicContact CG1-CE2 3.86Å; V208-F223 HydrophobicContact CG1-CG 4.34Å; V208-F223 HydrophobicContact CG1-CZ 4.03Å; V208-I226 HydrophobicContact CG1-CD1 4.11Å; V208-I229 HydrophobicContact CB-CD1 4.02Å; V208-I229 HydrophobicContact CB-CG1 4.29Å; V208-I229 HydrophobicContact CG1-CD1 3.96Å; V208-I229 HydrophobicContact CG1-CG1 3.9Å; V208-I229 HydrophobicContact CG2-CD1 4.24Å
209G97.9Very high97.5Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-61.5-43.817800000113.4Q205 I206 L207 W212 Y213Q205-G209 PolarHBondContact O-N 2.92Å; I206-G209 PolarHBondContact O-N 3.16Å; L207-G209 VanDerWaalsContact C-N 3.33Å; L207-G209 PolarHBondContact O-N 3.32Å; G209-W212 PolarHBondContact O-N 2.99Å; G209-Y213 WeakPolarHBondContact O-CD2 3.34Å; G209-Y213 PolarHBondContact O-N 2.59Å
210D97.8Very high97.5Very high7 Ų722.9 Ų22.94%0.03712%0.123CC..Hα-helixtrans-67.8-40.1179.1-74.8-8.7000111.2W46 I64 I206 L207 Y213 C214W46-D210 HydrophobicContact CZ2-CB 3.8Å; W46-D210 VanDerWaalsContact NE1-CG 3.34Å; W46-D210 PolarHBondContact NE1-OD1 3Å; I64-D210 HydrophobicContact CG1-CB 4.36Å; I64-D210 HydrophobicContact CG2-CB 3.6Å; I206-D210 VanDerWaalsContact O-CB 3.32Å; I206-D210 WeakPolarHBondContact O-CB 3.34Å; I206-D210 VanDerWaalsContact O-CG 3.27Å; I206-D210 PolarHBondContact O-N 2.96Å; L207-D210 PolarHBondContact O-N 3.44Å; D210-Y213 PolarHBondContact O-N 3.34Å; D210-C214 WeakPolarHBondContact O-CB 3.43Å; D210-C214 PolarHBondContact O-N 2.93Å
211L98.1Very high97.4Very high0 Ų022.8 Ų22.80%012%0.123CC..Hα-helixtrans-60.4-46171.3-74.1174.2000111.3I61 I64 F162 L166 L176 L207 V208 Y213 C214 F215 F223I61-L211 HydrophobicContact CB-CD2 4.42Å; I61-L211 HydrophobicContact CG1-CD2 4.23Å; I61-L211 HydrophobicContact CG2-CD2 4.22Å; I64-L211 HydrophobicContact CB-CD2 4.39Å; I64-L211 HydrophobicContact CD1-CD2 4.01Å; I64-L211 HydrophobicContact CG2-CD2 4.2Å; I64-L211 HydrophobicContact CG2-CG 4.08Å; F162-L211 HydrophobicContact CE1-CD1 4.38Å; L166-L211 HydrophobicContact CD1-CD1 3.92Å; L166-L211 HydrophobicContact CD2-CD1 4.02Å; L166-L211 HydrophobicContact CD2-CD2 4.28Å; L176-L211 HydrophobicContact CD2-CD1 4.09Å; L207-L211 HydrophobicContact CD2-CD1 3.57Å; L207-L211 HydrophobicContact CD2-CG 4.21Å; L207-L211 WeakPolarHBondContact O-CG 3.19Å; L207-L211 PolarHBondContact O-N 3.45Å; V208-L211 PolarHBondContact O-N 3.29Å; L211-Y213 PolarHBondContact O-N 2.91Å; L211-C214 PolarHBondContact O-N 3.46Å; L211-F215 WeakPolarHBondContact O-CD2 3.36Å; L211-F215 PolarHBondContact O-N 3.3Å; L211-F223 HydrophobicContact CB-CE2 4.19Å; L211-F223 HydrophobicContact CB-CZ 4.38Å; L211-F223 HydrophobicContact CD1-CZ 4.2Å
212W97.6Very high97.4Very high33 Ų3327.9 Ų27.913%0.12514%0.142CC..Hα-helixtrans-62.2-43.4179178.383.1000111.7V208 G209 E216 G217 F223 I226 V298 M299V208-W212 WeakPolarHBondContact O-CB 3.47Å; V208-W212 PolarHBondContact O-N 3.25Å; G209-W212 PolarHBondContact O-N 2.99Å; W212-E216 PolarHBondContact O-N 3.5Å; W212-G217 PolarHBondContact O-N 2.75Å; W212-F223 HydrophobicContact CB-CD2 4.24Å; W212-F223 HydrophobicContact CB-CE2 4.35Å; W212-I226 HydrophobicContact CB-CD1 3.85Å; W212-I226 HydrophobicContact CB-CG1 4.48Å; W212-I226 HydrophobicContact CD2-CD1 4.37Å; W212-I226 HydrophobicContact CD2-CG1 4.11Å; W212-I226 HydrophobicContact CG-CD1 3.74Å; W212-I226 HydrophobicContact CG-CG1 3.84Å; W212-V298 HydrophobicContact CE3-CG1 4.03Å; W212-V298 HydrophobicContact CZ3-CG1 4.34Å; W212-M299 HydrophobicContact CH2-CE 3.41Å; W212-M299 VanDerWaalsContact CH2-CE 3.41Å; W212-M299 HydrophobicContact CH2-CG 4.25Å; W212-M299 HydrophobicContact CZ2-CE 4.08Å; W212-M299 HydrophobicContact CZ3-CE 4.37Å; W212-M299 HydrophobicContact CZ3-CG 4.34Å
213Y96.3Very high97.4Very high8 Ų828 Ų283%0.03114%0.143CC..Hα-helixtrans-63-51.7173.9-89.7-59.9000112.5W46 I47 G209 D210 L211 F215 E216 V298 M299 N302W46-Y213 HydrophobicContact CB-CD1 3.97Å; W46-Y213 HydrophobicContact CB-CD2 4.05Å; W46-Y213 HydrophobicContact CB-CG 3.7Å; W46-Y213 HydrophobicContact CG-CD2 4.2Å; W46-Y213 HydrophobicContact CG-CG 4.09Å; I47-Y213 WeakPolarHBondContact CD1-O 3.38Å; G209-Y213 WeakPolarHBondContact O-CD2 3.34Å; G209-Y213 PolarHBondContact O-N 2.59Å; D210-Y213 PolarHBondContact O-N 3.34Å; L211-Y213 PolarHBondContact O-N 2.91Å; Y213-F215 VanDerWaalsContact C-N 3.25Å; Y213-F215 PolarHBondContact O-N 2.9Å; Y213-E216 PolarHBondContact O-N 3.07Å; Y213-V298 HydrophobicContact CD2-CG1 3.85Å; Y213-V298 HydrophobicContact CE2-CG1 3.35Å; Y213-V298 PolarHBondContact OH-O 2.93Å; Y213-M299 VanDerWaalsContact OH-CA 3.26Å; Y213-M299 WeakPolarHBondContact OH-CA 3.24Å; Y213-N302 HydrophobicContact CE2-CB 3.99Å; Y213-N302 VanDerWaalsContact OH-CB 3.25Å; Y213-N302 WeakPolarHBondContact OH-CB 3.42Å
214C96.6Very high97.4Very high4 Ų433.3 Ų33.33%0.02717%0.167CC..Hα-helixtrans-56.9-38.5-174.6-1800000112.7W46 I64 D210 L211W46-C214 HydrophobicContact CE3-CB 4.31Å; W46-C214 HydrophobicContact CH2-CB 3.94Å; W46-C214 HydrophobicContact CZ3-CB 3.55Å; I64-C214 HydrophobicContact CD1-CB 3.5Å; D210-C214 WeakPolarHBondContact O-CB 3.43Å; D210-C214 PolarHBondContact O-N 2.93Å; L211-C214 PolarHBondContact O-N 3.46Å
215F96.5Very high97.4Very high16 Ų1634 Ų347%0.0717%0.171CC..THydrogen-bonded Turntrans-98.412178.8-67.6-100.3000113.6A56 D57 I61 L211 Y213 G217 K218 F220A56-F215 VanDerWaalsContact C-CE1 3.47Å; A56-F215 HydrophobicContact CB-CB 4.49Å; A56-F215 HydrophobicContact CB-CD1 3.65Å; A56-F215 HydrophobicContact CB-CE1 3.92Å; A56-F215 HydrophobicContact CB-CG 4.08Å; A56-F215 WeakPolarHBondContact O-CE1 3.26Å; D57-F215 WeakPolarHBondContact O-CZ 3.45Å; I61-F215 HydrophobicContact CD1-CE2 4.42Å; I61-F215 HydrophobicContact CD1-CZ 3.95Å; I61-F215 HydrophobicContact CG1-CE2 3.73Å; I61-F215 HydrophobicContact CG1-CZ 3.62Å; L211-F215 WeakPolarHBondContact O-CD2 3.36Å; L211-F215 PolarHBondContact O-N 3.3Å; Y213-F215 VanDerWaalsContact C-N 3.25Å; Y213-F215 PolarHBondContact O-N 2.9Å; F215-G217 PolarHBondContact O-N 2.69Å; F215-G217 VanDerWaalsContact O-N 3.14Å; F215-K218 WeakPolarHBondContact CB-O 3.4Å; F215-K218 WeakPolarHBondContact O-CB 3.39Å; F215-K218 PolarHBondContact O-N 2.87Å; F215-F220 HydrophobicContact CD1-CB 4.09Å; F215-F220 HydrophobicContact CD2-CB 4.44Å; F215-F220 HydrophobicContact CE1-CB 3.87Å; F215-F220 AromaticContact CE1-CD2 3.83Å; F215-F220 HydrophobicContact CE1-CD2 3.83Å; F215-F220 HydrophobicContact CE1-CG 4.35Å; F215-F220 HydrophobicContact CE2-CB 4.23Å; F215-F220 HydrophobicContact CG-CB 4.4Å; F215-F220 HydrophobicContact CZ-CB 3.94Å; F215-F220 HydrophobicContact CZ-CD2 4.22Å
216E94.8Very high97.4Very high91 Ų9134.8 Ų34.843%0.42518%0.175SC..THydrogen-bonded Turntrans50.239.4-179.8-58.7-179.679.400112.9I47 W212 Y213 K218I47-E216 HydrophobicContact CD1-CG 3.51Å; W212-E216 PolarHBondContact O-N 3.5Å; Y213-E216 PolarHBondContact O-N 3.07Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 3.15Å
217G95.1Very high97.3Very high18 Ų1839.5 Ų39.519%0.18620%0.201CC..THydrogen-bonded Turntrans68.120.6-178.400000115.3W212 F215 Y222W212-G217 PolarHBondContact O-N 2.75Å; F215-G217 PolarHBondContact O-N 2.69Å; F215-G217 VanDerWaalsContact O-N 3.14Å; G217-Y222 WeakPolarHBondContact O-CD2 3.42Å
218K96.2Very high97.3Very high138 Ų13845.6 Ų45.660%0.623%0.229SC*.SBendtrans-121.4166.1-178.4-61.8167.5-170163.10111.1F215 E216 F220 G221 Y222F215-K218 WeakPolarHBondContact CB-O 3.4Å; F215-K218 WeakPolarHBondContact O-CB 3.39Å; F215-K218 PolarHBondContact O-N 2.87Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 3.15Å; K218-F220 PolarHBondContact O-N 3.39Å; K218-G221 CarbonylContact O-C 3.49Å; K218-G221 PolarHBondContact O-N 2.93Å; K218-Y222 PolarHBondContact O-N 3Å
219G96.2Very high97.3Very high57 Ų5745.6 Ų45.659%0.58823%0.229SC*.G310 helixtrans52.3-124.5174.100000112G221 Y222G219-G221 VanDerWaalsContact C-N 3.26Å; G219-G221 PolarHBondContact O-N 3.4Å; G219-Y222 WeakPolarHBondContact O-CB 3.44Å; G219-Y222 PolarHBondContact O-N 3.25Å; G219-Y222 VanDerWaalsContact O-N 3.16Å
220F97.2Very high97.3Very high66 Ų6646 Ų4629%0.28923%0.231SC..G310 helixtrans-66.7-19.4178.8-68.6-68.8000114.9I61 K163 L166 F215 K218I61-F220 HydrophobicContact CD1-CB 3.91Å; I61-F220 HydrophobicContact CD1-CD1 4.15Å; I61-F220 HydrophobicContact CD1-CD2 3.86Å; I61-F220 HydrophobicContact CD1-CE2 4.42Å; I61-F220 HydrophobicContact CD1-CG 3.71Å; K163-F220 HydrophobicContact CD-CZ 4.43Å; K163-F220 HydrophobicContact CG-CE1 4.11Å; K163-F220 HydrophobicContact CG-CZ 4.34Å; L166-F220 HydrophobicContact CD2-CB 3.99Å; L166-F220 HydrophobicContact CD2-CD1 4.27Å; F215-F220 HydrophobicContact CD1-CB 4.09Å; F215-F220 HydrophobicContact CD2-CB 4.44Å; F215-F220 HydrophobicContact CE1-CB 3.87Å; F215-F220 AromaticContact CE1-CD2 3.83Å; F215-F220 HydrophobicContact CE1-CD2 3.83Å; F215-F220 HydrophobicContact CE1-CG 4.35Å; F215-F220 HydrophobicContact CE2-CB 4.23Å; F215-F220 HydrophobicContact CG-CB 4.4Å; F215-F220 HydrophobicContact CZ-CB 3.94Å; F215-F220 HydrophobicContact CZ-CD2 4.22Å; K218-F220 PolarHBondContact O-N 3.39Å
221G97.2Very high97.4Very high0 Ų045.6 Ų45.60%023%0.229CC..G310 helixtrans-99.58.6173.300000113.9K218 G219 F223K218-G221 CarbonylContact O-C 3.49Å; K218-G221 PolarHBondContact O-N 2.93Å; G219-G221 VanDerWaalsContact C-N 3.26Å; G219-G221 PolarHBondContact O-N 3.4Å; G221-F223 WeakPolarHBondContact O-CD2 3.42Å
222Y98.1Very high97.4Very high120 Ų12046 Ų4647%0.47123%0.231SC..  trans-77123.1169.8175.6-103.5000109.8N171 G217 K218 G219 H224N171-Y222 HydrophobicContact CB-CD1 3.93Å; N171-Y222 HydrophobicContact CB-CE1 4.37Å; N171-Y222 VanDerWaalsContact CB-O 3.31Å; N171-Y222 WeakPolarHBondContact CB-O 3.44Å; G217-Y222 WeakPolarHBondContact O-CD2 3.42Å; K218-Y222 PolarHBondContact O-N 3Å; G219-Y222 WeakPolarHBondContact O-CB 3.44Å; G219-Y222 PolarHBondContact O-N 3.25Å; G219-Y222 VanDerWaalsContact O-N 3.16Å; Y222-H224 HydrophobicContact CE1-CB 4.25Å
223F98.6Very high97.3Very high6 Ų644.4 Ų44.43%0.02623%0.225CC..  trans-128.2125.1171-58.6-83.5000109.3L166 N171 A173 L176 V208 L211 W212 G221 D225 I226L166-F223 HydrophobicContact CD1-CE1 4.01Å; L166-F223 HydrophobicContact CD1-CZ 3.9Å; N171-F223 VanDerWaalsContact O-CA 3.25Å; N171-F223 WeakPolarHBondContact O-CA 3.27Å; A173-F223 HydrophobicContact CB-CB 4.12Å; A173-F223 HydrophobicContact CB-CD1 4.12Å; A173-F223 HydrophobicContact CB-CG 4.2Å; L176-F223 HydrophobicContact CD2-CE1 3.87Å; L176-F223 HydrophobicContact CD2-CZ 3.95Å; V208-F223 HydrophobicContact CG1-CD2 4.02Å; V208-F223 HydrophobicContact CG1-CE1 4.36Å; V208-F223 HydrophobicContact CG1-CE2 3.86Å; V208-F223 HydrophobicContact CG1-CG 4.34Å; V208-F223 HydrophobicContact CG1-CZ 4.03Å; L211-F223 HydrophobicContact CB-CE2 4.19Å; L211-F223 HydrophobicContact CB-CZ 4.38Å; L211-F223 HydrophobicContact CD1-CZ 4.2Å; W212-F223 HydrophobicContact CB-CD2 4.24Å; W212-F223 HydrophobicContact CB-CE2 4.35Å; G221-F223 WeakPolarHBondContact O-CD2 3.42Å; F223-D225 PolarHBondContact O-N 3.28Å; F223-I226 HydrophobicContact CB-CB 4.12Å; F223-I226 HydrophobicContact CB-CD1 4.47Å; F223-I226 HydrophobicContact CD2-CD1 4.2Å; F223-I226 PolarHBondContact O-N 3Å
224H98.3Very high97.3Very high114 Ų11444.6 Ų44.653%0.52823%0.227SC..THydrogen-bonded Turntrans-72.4-15.8-176.863.364.5000113.1N171 Y222N171-H224 PolarHBondContact O-CD2 2.97Å; N171-H224 PolarHBondContact O-N 2.84Å; Y222-H224 HydrophobicContact CE1-CB 4.25Å
225D98.4Very high97.3Very high15 Ų1545.1 Ų45.18%0.0823%0.228CC..THydrogen-bonded Turntrans-121.226.7-177.557.6-8.5000111.2S172 A173 A174 F223 D227 E228S172-D225 WeakPolarHBondContact CA-OD1 3.18Å; S172-D225 WeakPolarHBondContact CB-OD2 3.43Å; S172-D225 PolarHBondContact OG-OD2 3.23Å; A173-D225 VanDerWaalsContact CB-OD1 3.3Å; A173-D225 WeakPolarHBondContact CB-OD1 3.37Å; A173-D225 PolarHBondContact N-OD1 3.06Å; A173-D225 PolarHBondContact N-OD2 2.68Å; A174-D225 PolarHBondContact N-OD2 3.44Å; F223-D225 PolarHBondContact O-N 3.28Å; D225-D227 PolarHBondContact O-N 2.97Å; D225-E228 HydrophobicContact CB-CG 4.19Å; D225-E228 WeakPolarHBondContact O-CB 3.46Å; D225-E228 PolarHBondContact O-N 2.94Å
226I98.3Very high97.3Very high16 Ų1647.3 Ų47.38%0.08224%0.236CC..G310 helixtrans-54.5-29.6-179.3-171.160.6000113.1V208 W212 F223 E228 I229V208-I226 HydrophobicContact CG1-CD1 4.11Å; W212-I226 HydrophobicContact CB-CD1 3.85Å; W212-I226 HydrophobicContact CB-CG1 4.48Å; W212-I226 HydrophobicContact CD2-CD1 4.37Å; W212-I226 HydrophobicContact CD2-CG1 4.11Å; W212-I226 HydrophobicContact CG-CD1 3.74Å; W212-I226 HydrophobicContact CG-CG1 3.84Å; F223-I226 HydrophobicContact CB-CB 4.12Å; F223-I226 HydrophobicContact CB-CD1 4.47Å; F223-I226 HydrophobicContact CD2-CD1 4.2Å; F223-I226 PolarHBondContact O-N 3Å; I226-E228 PolarHBondContact O-N 3.06Å; I226-I229 HydrophobicContact CD1-CG1 4.07Å; I226-I229 WeakPolarHBondContact O-CB 3.44Å; I226-I229 PolarHBondContact O-N 3.26Å
227D97.9Very high97.5Very high121 Ų12143 Ų4365%0.64722%0.216SC*.G310 helixtrans-70.5-10.7179.6-61.4-29.7000113.4D225 I229 N296D225-D227 PolarHBondContact O-N 2.97Å; D227-I229 VanDerWaalsContact C-N 3.3Å; D227-N296 VanDerWaalsContact OD1-CB 3.23Å; D227-N296 WeakPolarHBondContact OD1-CB 3.2Å
228E97.7Very high97.6Very high127 Ų12742.1 Ų42.159%0.59321%0.207SC*.G310 helixtrans-75.6-19.2170-64.2-169.9-161.900112.7D225 I226 T230D225-E228 HydrophobicContact CB-CG 4.19Å; D225-E228 WeakPolarHBondContact O-CB 3.46Å; D225-E228 PolarHBondContact O-N 2.94Å; I226-E228 PolarHBondContact O-N 3.06Å; E228-T230 PolarHBondContact O-N 3.27Å
229I98.6Very high97.7Very high1 Ų135.7 Ų35.71%0.00518%0.179CC..  trans-67.6131.7173.8-60.1-57.7000109.6A173 L177 Q205 V208 I226 D227 F232 S297 V298A173-I229 HydrophobicContact CB-CD1 4.01Å; A173-I229 HydrophobicContact CB-CG1 4.1Å; L177-I229 HydrophobicContact CD1-CD1 3.76Å; L177-I229 HydrophobicContact CD2-CD1 4.36Å; L177-I229 HydrophobicContact CG-CD1 4.17Å; Q205-I229 HydrophobicContact CB-CG2 4.14Å; Q205-I229 HydrophobicContact CG-CD1 4.49Å; V208-I229 HydrophobicContact CB-CD1 4.02Å; V208-I229 HydrophobicContact CB-CG1 4.29Å; V208-I229 HydrophobicContact CG1-CD1 3.96Å; V208-I229 HydrophobicContact CG1-CG1 3.9Å; V208-I229 HydrophobicContact CG2-CD1 4.24Å; I226-I229 HydrophobicContact CD1-CG1 4.07Å; I226-I229 WeakPolarHBondContact O-CB 3.44Å; I226-I229 PolarHBondContact O-N 3.26Å; D227-I229 VanDerWaalsContact C-N 3.3Å; I229-F232 HydrophobicContact CG2-CE1 3.76Å; I229-F232 HydrophobicContact CG2-CZ 4.46Å; I229-S297 WeakPolarHBondContact O-CB 3.46Å; I229-S297 PolarHBondContact O-OG 3.17Å; I229-V298 HydrophobicContact CB-CG2 3.93Å; I229-V298 HydrophobicContact CG2-CG2 3.49Å; I229-V298 VanDerWaalsContact CG2-CG2 3.49Å
230T98.7Very high97.8Very high7 Ų733 Ų334%0.04315%0.151CC..  trans-101.6177.6179.366.20000111.5P6 L7 Q205 E228 F232 I278P6-T230 HydrophobicContact CB-CG2 4.2Å; P6-T230 WeakPolarHBondContact CB-OG1 3.4Å; L7-T230 HydrophobicContact CB-CG2 3.95Å; Q205-T230 PolarHBondContact NE2-OG1 3.38Å; Q205-T230 PolarHBondContact OE1-OG1 2.93Å; E228-T230 PolarHBondContact O-N 3.27Å; T230-F232 WeakPolarHBondContact O-CE1 3.45Å; T230-I278 HydrophobicContact CG2-CG2 4.03Å
231A98.3Very high97.9Very high0 Ų029.8 Ų29.80%014%0.137CC..  trans-61150.4175.900000111.9A233 I278 V281A231-A233 VanDerWaalsContact C-N 3.28Å; A231-A233 PolarHBondContact O-N 2.85Å; A231-I278 HydrophobicContact CB-CG1 4.47Å; A231-V281 HydrophobicContact CB-CB 3.66Å; A231-V281 HydrophobicContact CB-CG1 3.73Å; A231-V281 HydrophobicContact CB-CG2 3.7Å
232F98.1Very high97.9Very high7 Ų731.7 Ų31.73%0.03115%0.146CC..  trans-87.869.5-177.2-48.6-33.2000109.3K202 Q205 I206 I229 T230 D234 V298 D301K202-F232 HydrophobicContact CD-CB 4.48Å; K202-F232 HydrophobicContact CG-CB 4.05Å; Q205-F232 VanDerWaalsContact C-CE1 3.43Å; Q205-F232 HydrophobicContact CB-CD1 3.78Å; Q205-F232 HydrophobicContact CB-CE1 3.86Å; Q205-F232 WeakPolarHBondContact O-CE1 3.39Å; I206-F232 HydrophobicContact CB-CB 4.49Å; I206-F232 HydrophobicContact CB-CD1 4.12Å; I206-F232 HydrophobicContact CB-CD2 3.8Å; I206-F232 HydrophobicContact CB-CE1 4.32Å; I206-F232 HydrophobicContact CB-CE2 4Å; I206-F232 HydrophobicContact CB-CG 3.86Å; I206-F232 HydrophobicContact CB-CZ 4.26Å; I206-F232 HydrophobicContact CD1-CD2 3.74Å; I206-F232 HydrophobicContact CD1-CE2 4.22Å; I206-F232 HydrophobicContact CD1-CG 4.37Å; I206-F232 HydrophobicContact CG1-CD2 3.63Å; I206-F232 HydrophobicContact CG1-CE2 3.69Å; I206-F232 HydrophobicContact CG1-CG 4.23Å; I206-F232 HydrophobicContact CG1-CZ 4.34Å; I229-F232 HydrophobicContact CG2-CE1 3.76Å; I229-F232 HydrophobicContact CG2-CZ 4.46Å; T230-F232 WeakPolarHBondContact O-CE1 3.45Å; F232-D234 VanDerWaalsContact C-N 3.34Å; F232-D234 PolarHBondContact O-N 3.43Å; F232-V298 HydrophobicContact CE1-CG2 4.42Å; F232-V298 HydrophobicContact CZ-CB 4.38Å; F232-V298 HydrophobicContact CZ-CG1 4.14Å; F232-V298 HydrophobicContact CZ-CG2 4.01Å; F232-D301 HydrophobicContact CD2-CB 4.29Å; F232-D301 WeakPolarHBondContact CD2-OD1 3.36Å; F232-D301 HydrophobicContact CE2-CB 4.5Å; F232-D301 PolarHBondContact N-OD2 2.99Å
233A96.2Very high97.9Very high1 Ų127.8 Ų27.81%0.00813%0.13CC..  trans-54.588.9-172.700000113.6A231 R274 T277 I278A231-A233 VanDerWaalsContact C-N 3.28Å; A231-A233 PolarHBondContact O-N 2.85Å; A233-R274 HydrophobicContact CB-CB 3.87Å; A233-R274 HydrophobicContact CB-CG 4.21Å; A233-R274 PolarHBondContact O-NE 2.74Å; A233-R274 PolarHBondContact O-NH2 3.46Å; A233-R274 VanDerWaalsContact O-NH2 3.16Å; A233-T277 HydrophobicContact CB-CG2 4.08Å; A233-I278 HydrophobicContact CB-CD1 4.25Å; A233-I278 HydrophobicContact CB-CG1 4.07Å
234D95.7Very high97.9Very high11 Ų1129.3 Ų29.36%0.05914%0.137CC..SBendtrans-105.9-151.2177.773.92.3000110.2F232 R236 V237 P238 H322 Y329F232-D234 VanDerWaalsContact C-N 3.34Å; F232-D234 PolarHBondContact O-N 3.43Å; D234-R236 WeakPolarHBondContact OD1-CA 3.44Å; D234-R236 PolarHBondContact OD1-N 3.38Å; D234-V237 WeakPolarHBondContact OD1-CG2 3.37Å; D234-V237 PolarHBondContact OD1-N 3.49Å; D234-P238 WeakPolarHBondContact O-CD 3.28Å; D234-P238 WeakPolarHBondContact O-CG 3.11Å; D234-H322 PolarHBondContact O-CE1 2.92Å; D234-H322 VanDerWaalsContact O-CE1 3.31Å; D234-Y329 HydrophobicContact CB-CD2 4.12Å; D234-Y329 HydrophobicContact CB-CG 4.5Å
235Y97.2Very high97.9Very high16 Ų1624.6 Ų24.66%0.06312%0.12CC..SBendtrans-100.9-9.5175.254.5-100.3000115W75 M321 H322 Y329W75-Y235 AromaticContact CD1-CE1 3.7Å; W75-Y235 AromaticContact CD1-CZ 3.86Å; Y235-M321 HydrophobicContact CD2-CB 4.06Å; Y235-M321 HydrophobicContact CD2-CG 4.13Å; Y235-M321 HydrophobicContact CD2-SD 3.4Å; Y235-M321 WeakPolarHBondContact CD2-SD 3.43Å; Y235-M321 HydrophobicContact CE2-SD 3.58Å; Y235-M321 VanDerWaalsContact CE2-SD 3.58Å; Y235-M321 HydrophobicContact CG-SD 4.37Å; Y235-M321 WeakPolarHBondContact O-CB 3.49Å; Y235-H322 VanDerWaalsContact CA-CE1 3.43Å; Y235-H322 WeakPolarHBondContact CA-CE1 3.43Å; Y235-H322 WeakPolarHBondContact CB-O 3.43Å; Y235-Y329 AromaticContact CD1-CD2 3.91Å; Y235-Y329 HydrophobicContact CD1-CD2 3.91Å; Y235-Y329 HydrophobicContact CD1-CE2 4.21Å
236R97.2Very high97.9Very high62 Ų6223.9 Ų23.923%0.23412%0.116CC..SBendtrans-96.9-41-179-69.9-53.1-167.41783.2112.4D234 Q239 V240 R308 D316D234-R236 WeakPolarHBondContact OD1-CA 3.44Å; D234-R236 PolarHBondContact OD1-N 3.38Å; R236-Q239 VanDerWaalsContact O-CB 3.26Å; R236-Q239 WeakPolarHBondContact O-CB 3.48Å; R236-Q239 PolarHBondContact O-N 3.22Å; R236-V240 PolarHBondContact O-N 2.79Å; R236-V240 VanDerWaalsContact O-N 3.16Å; R236-R308 HydrophobicContact CB-CG 4.17Å; R236-R308 HydrophobicContact CG-CG 4.49Å; R236-D316 IonicContact NH1-OD1 3.12Å
237V98Very high97.9Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-63-48.8177.4-176.20000111.8D234 Q239 V240 L241 T277 L304D234-V237 WeakPolarHBondContact OD1-CG2 3.37Å; D234-V237 PolarHBondContact OD1-N 3.49Å; V237-Q239 PolarHBondContact O-N 3.16Å; V237-V240 PolarHBondContact O-N 3.12Å; V237-L241 HydrophobicContact CG1-CD1 4.27Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.01Å; V237-T277 HydrophobicContact CB-CG2 4.11Å; V237-T277 HydrophobicContact CG1-CG2 3.68Å; V237-L304 HydrophobicContact CG1-CB 4.26Å; V237-L304 HydrophobicContact CG1-CD1 3.87Å
238P98.1Very high97.9Very high0 Ų021 Ų210%010%0.098CC..Hα-helixtrans-58.5-35.9172.214.8-26.3000112.8D234 V240 L241 H242 I247 I273 T277D234-P238 WeakPolarHBondContact O-CD 3.28Å; D234-P238 WeakPolarHBondContact O-CG 3.11Å; P238-V240 VanDerWaalsContact C-N 3.3Å; P238-V240 PolarHBondContact O-N 3.49Å; P238-L241 PolarHBondContact O-N 2.7Å; P238-H242 WeakPolarHBondContact O-CB 3.45Å; P238-H242 PolarHBondContact O-N 3.03Å; P238-I247 HydrophobicContact CB-CD1 3.68Å; P238-I247 WeakPolarHBondContact O-CD1 3.45Å; P238-I273 HydrophobicContact CB-CG2 3.61Å; P238-I273 HydrophobicContact CG-CG2 3.88Å; P238-T277 VanDerWaalsContact CB-OG1 3.3Å; P238-T277 WeakPolarHBondContact CB-OG1 3.45Å
239Q97.9Very high97.9Very high2 Ų216.2 Ų16.21%0.0098%0.075CC..Hα-helixtrans-58.8-42.7178.1-166.3-172.513.800111.4R236 V237 Y243 I315 D316 I319R236-Q239 VanDerWaalsContact O-CB 3.26Å; R236-Q239 WeakPolarHBondContact O-CB 3.48Å; R236-Q239 PolarHBondContact O-N 3.22Å; V237-Q239 PolarHBondContact O-N 3.16Å; Q239-Y243 WeakPolarHBondContact O-CB 3.48Å; Q239-Y243 PolarHBondContact O-N 2.67Å; Q239-I315 HydrophobicContact CG-CG2 3.8Å; Q239-D316 PolarHBondContact NE2-OD1 2.97Å; Q239-I319 HydrophobicContact CG-CG2 4.03Å; Q239-I319 PolarHBondContact NE2-O 3.27Å
240V98.2Very high97.9Very high0 Ų017.7 Ų17.70%09%0.086CC..Hα-helixtrans-69.1-44.3176.4-178.30000111.7R236 V237 P238 H242 Y243 F244 L304 Y307 R308 I315R236-V240 PolarHBondContact O-N 2.79Å; R236-V240 VanDerWaalsContact O-N 3.16Å; V237-V240 PolarHBondContact O-N 3.12Å; P238-V240 VanDerWaalsContact C-N 3.3Å; P238-V240 PolarHBondContact O-N 3.49Å; V240-H242 VanDerWaalsContact C-N 3.25Å; V240-H242 PolarHBondContact O-N 3.26Å; V240-Y243 WeakPolarHBondContact O-CB 3.39Å; V240-Y243 PolarHBondContact O-N 3.16Å; V240-F244 HydrophobicContact CG1-CD2 3.74Å; V240-F244 HydrophobicContact CG1-CE2 3.5Å; V240-F244 VanDerWaalsContact CG1-CE2 3.5Å; V240-F244 WeakPolarHBondContact O-CD2 3.45Å; V240-F244 PolarHBondContact O-N 2.96Å; V240-L304 HydrophobicContact CB-CD2 4.47Å; V240-L304 HydrophobicContact CG1-CD2 3.74Å; V240-Y307 HydrophobicContact CG1-CD1 4.01Å; V240-R308 HydrophobicContact CG2-CB 3.42Å; V240-R308 VanDerWaalsContact CG2-CB 3.42Å; V240-R308 HydrophobicContact CG2-CG 3.99Å; V240-I315 HydrophobicContact CG2-CD1 4.2Å
241L98.6Very high97.9Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-60.5-39177.5-69.1169.8000111.2L30 V237 P238 F244 G245 A246 I247 T277 A280 V281 I284 L304L30-L241 HydrophobicContact CD2-CD2 4.23Å; V237-L241 HydrophobicContact CG1-CD1 4.27Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.01Å; P238-L241 PolarHBondContact O-N 2.7Å; L241-F244 PolarHBondContact O-N 3.37Å; L241-G245 PolarHBondContact O-N 2.95Å; L241-A246 HydrophobicContact CB-CB 4.35Å; L241-A246 HydrophobicContact CD2-CB 4.13Å; L241-A246 WeakPolarHBondContact O-CB 3.38Å; L241-A246 PolarHBondContact O-N 3.17Å; L241-I247 HydrophobicContact CB-CD1 3.97Å; L241-I247 HydrophobicContact CB-CG1 3.84Å; L241-I247 HydrophobicContact CB-CG2 4.14Å; L241-I247 HydrophobicContact CD1-CG2 4.44Å; L241-I247 PolarHBondContact O-N 3.47Å; L241-T277 HydrophobicContact CD1-CG2 3.87Å; L241-A280 HydrophobicContact CD1-CB 4.08Å; L241-A280 HydrophobicContact CD2-CB 4.36Å; L241-V281 HydrophobicContact CD1-CG2 4.23Å; L241-I284 HydrophobicContact CD2-CD1 3.88Å; L241-L304 HydrophobicContact CD2-CD1 3.91Å; L241-L304 HydrophobicContact CD2-CD2 4.42Å; L241-L304 HydrophobicContact CG-CD1 4.24Å
242H98.2Very high97.9Very high39 Ų3929.5 Ų29.518%0.18114%0.143CC..Hα-helixtrans-68.6-41.3175.1-173.185.7000111.9P238 V240 F244 G245 I247 Y249 I319P238-H242 WeakPolarHBondContact O-CB 3.45Å; P238-H242 PolarHBondContact O-N 3.03Å; V240-H242 VanDerWaalsContact C-N 3.25Å; V240-H242 PolarHBondContact O-N 3.26Å; H242-F244 PolarHBondContact O-N 3.22Å; H242-G245 WeakPolarHBondContact O-CA 3.18Å; H242-G245 PolarHBondContact O-N 3.49Å; H242-I247 WeakPolarHBondContact CA-O 3.41Å; H242-I247 HydrophobicContact CB-CD1 4.42Å; H242-I247 HydrophobicContact CB-CG1 3.89Å; H242-I247 PolarHBondContact ND1-O 3.38Å; H242-I247 VanDerWaalsContact ND1-O 3.11Å; H242-Y249 HydrophobicContact CB-CE2 4.1Å; H242-Y249 AromaticContact CE1-CD2 3.43Å; H242-Y249 VanDerWaalsContact CE1-CD2 3.43Å; H242-Y249 WeakPolarHBondContact CE1-CD2 3.33Å; H242-Y249 AromaticContact CE1-CE2 3.89Å; H242-Y249 AromaticContact CE1-CG 3.84Å; H242-Y249 AromaticContact CG-CE2 3.67Å; H242-Y249 AromaticContact ND1-CD2 3.38Å; H242-Y249 WeakPolarHBondContact ND1-CD2 3.5Å; H242-Y249 AromaticContact ND1-CE2 3.42Å; H242-Y249 WeakPolarHBondContact ND1-CE2 3.27Å; H242-Y249 AromaticContact ND1-CG 3.73Å; H242-Y249 AromaticContact ND1-CZ 3.82Å; H242-I319 VanDerWaalsContact CD2-CG1 3.46Å; H242-I319 WeakPolarHBondContact CD2-CG1 3.42Å
243Y98Very high97.9Very high38 Ų3829.2 Ų29.215%0.14914%0.142CC..Hα-helixtrans-55.8-36.1174.4166.6-85.1000112.3Q239 V240 G245 Y307 E314 I315 K318Q239-Y243 WeakPolarHBondContact O-CB 3.48Å; Q239-Y243 PolarHBondContact O-N 2.67Å; V240-Y243 WeakPolarHBondContact O-CB 3.39Å; V240-Y243 PolarHBondContact O-N 3.16Å; Y243-G245 VanDerWaalsContact C-N 3.31Å; Y243-Y307 HydrophobicContact CE1-CE1 4.49Å; Y243-E314 HydrophobicContact CE2-CG 4.18Å; Y243-E314 PolarHBondContact OH-OE1 3.43Å; Y243-I315 HydrophobicContact CD1-CG1 4.3Å; Y243-I315 HydrophobicContact CD2-CB 4.23Å; Y243-I315 HydrophobicContact CD2-CG1 3.71Å; Y243-I315 HydrophobicContact CD2-CG2 4.44Å; Y243-I315 HydrophobicContact CE2-CG1 4.04Å; Y243-I315 HydrophobicContact CG-CG1 3.87Å; Y243-K318 HydrophobicContact CD2-CB 4.24Å; Y243-K318 HydrophobicContact CD2-CD 3.7Å; Y243-K318 HydrophobicContact CD2-CG 4.32Å; Y243-K318 HydrophobicContact CE2-CD 3.52Å; Y243-K318 HydrophobicContact CE2-CG 4.28Å; Y243-K318 VanDerWaalsContact CE2-NZ 3.26Å; Y243-K318 PolarHBondContact OH-NZ 3.39Å
244F98Very high98Very high38 Ų3830.8 Ų30.817%0.16715%0.152CC..THydrogen-bonded Turntrans-84.5-1173.6-70.3-59.8000114.5L30 M33 V240 L241 H242 A246 Y307L30-F244 HydrophobicContact CD1-CD1 4.33Å; L30-F244 HydrophobicContact CD1-CD2 3.72Å; L30-F244 HydrophobicContact CD1-CE1 4.44Å; L30-F244 HydrophobicContact CD1-CE2 3.81Å; L30-F244 HydrophobicContact CD1-CG 3.99Å; L30-F244 HydrophobicContact CD1-CZ 4.16Å; L30-F244 HydrophobicContact CD2-CB 4.32Å; L30-F244 HydrophobicContact CD2-CD2 4.03Å; L30-F244 HydrophobicContact CD2-CG 4.36Å; L30-F244 HydrophobicContact CG-CD2 4.49Å; M33-F244 HydrophobicContact CE-CD1 3.82Å; M33-F244 HydrophobicContact CE-CE1 3.12Å; M33-F244 HydrophobicContact CE-CE2 4.25Å; M33-F244 HydrophobicContact CE-CZ 3.37Å; V240-F244 HydrophobicContact CG1-CD2 3.74Å; V240-F244 HydrophobicContact CG1-CE2 3.5Å; V240-F244 VanDerWaalsContact CG1-CE2 3.5Å; V240-F244 WeakPolarHBondContact O-CD2 3.45Å; V240-F244 PolarHBondContact O-N 2.96Å; L241-F244 PolarHBondContact O-N 3.37Å; H242-F244 PolarHBondContact O-N 3.22Å; F244-A246 PolarHBondContact O-N 2.8Å; F244-Y307 HydrophobicContact CE2-CD1 4.08Å; F244-Y307 AromaticContact CE2-CE1 3.86Å; F244-Y307 HydrophobicContact CE2-CE1 3.86Å; F244-Y307 HydrophobicContact CZ-CD1 4.11Å; F244-Y307 AromaticContact CZ-CE1 3.48Å; F244-Y307 HydrophobicContact CZ-CE1 3.48Å; F244-Y307 VanDerWaalsContact CZ-CE1 3.48Å; F244-Y307 HydrophobicContact CZ-CE2 4.02Å; F244-Y307 AromaticContact CZ-CZ 3.44Å; F244-Y307 VanDerWaalsContact CZ-CZ 3.44Å
245G98Very high98.1Very high16 Ų1635.1 Ų35.117%0.16517%0.17CC..THydrogen-bonded Turntrans66.815-174.400000113.8N23 N26 L241 H242 Y243 I247N23-G245 VanDerWaalsContact CB-O 3.22Å; N23-G245 WeakPolarHBondContact CB-O 3.21Å; N26-G245 VanDerWaalsContact CB-O 3.24Å; N26-G245 WeakPolarHBondContact CB-O 3.32Å; N26-G245 PolarHBondContact ND2-O 3.18Å; L241-G245 PolarHBondContact O-N 2.95Å; H242-G245 WeakPolarHBondContact O-CA 3.18Å; H242-G245 PolarHBondContact O-N 3.49Å; Y243-G245 VanDerWaalsContact C-N 3.31Å; G245-I247 VanDerWaalsContact C-N 3.33Å
246A98.5Very high98.1Very high0 Ų038 Ų380%018%0.183CC..SBendtrans-70.5-32.6176.800000111.8I22 N23 I27 L241 F244I22-A246 WeakPolarHBondContact CA-O 3.25Å; N23-A246 PolarHBondContact N-O 3.04Å; I27-A246 HydrophobicContact CG1-CB 3.78Å; L241-A246 HydrophobicContact CB-CB 4.35Å; L241-A246 HydrophobicContact CD2-CB 4.13Å; L241-A246 WeakPolarHBondContact O-CB 3.38Å; L241-A246 PolarHBondContact O-N 3.17Å; F244-A246 PolarHBondContact O-N 2.8Å
247I98.3Very high98.1Very high0 Ų035.2 Ų35.20%017%0.173CC..EExtended strand (participates in β ladder)trans-118.7139165.668.3178.3000109.1S21 I22 P238 L241 H242 G245 Y249 A276 A280S21-I247 CarbonylContact O-C 3.45Å; S21-I247 WeakPolarHBondContact O-CA 3.4Å; I22-I247 HydrophobicContact CG1-CG2 4.33Å; P238-I247 HydrophobicContact CB-CD1 3.68Å; P238-I247 WeakPolarHBondContact O-CD1 3.45Å; L241-I247 HydrophobicContact CB-CD1 3.97Å; L241-I247 HydrophobicContact CB-CG1 3.84Å; L241-I247 HydrophobicContact CB-CG2 4.14Å; L241-I247 HydrophobicContact CD1-CG2 4.44Å; L241-I247 PolarHBondContact O-N 3.47Å; H242-I247 WeakPolarHBondContact CA-O 3.41Å; H242-I247 HydrophobicContact CB-CD1 4.42Å; H242-I247 HydrophobicContact CB-CG1 3.89Å; H242-I247 PolarHBondContact ND1-O 3.38Å; H242-I247 VanDerWaalsContact ND1-O 3.11Å; G245-I247 VanDerWaalsContact C-N 3.33Å; I247-Y249 HydrophobicContact CD1-CE1 3.9Å; I247-Y249 HydrophobicContact CG1-CE1 4.2Å; I247-A276 HydrophobicContact CB-CB 4.42Å; I247-A276 HydrophobicContact CG2-CB 3.94Å; I247-A280 HydrophobicContact CG2-CB 3.87Å
248E98.3Very high98.1Very high77 Ų7740 Ų4036%0.3620%0.195SC..EExtended strand (participates in β ladder)trans-121.6144.8-179.7-66.2174.4-169.300109.3V20 S21 N23V20-E248 VanDerWaalsContact CA-O 3.32Å; V20-E248 WeakPolarHBondContact CA-O 3.4Å; V20-E248 WeakPolarHBondContact CG1-O 3.28Å; S21-E248 PolarHBondContact N-O 3.28Å; S21-E248 PolarHBondContact O-N 3.11Å; N23-E248 PolarHBondContact ND2-OE1 2.93Å
249Y98.4Very high98Very high25 Ų2545.5 Ų45.510%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-108.8147.5-179.7-58-31.8000109.7H19 V20 H242 I247 L253 T254 I257 I273H19-Y249 CarbonylContact O-C 3.37Å; H19-Y249 WeakPolarHBondContact O-CA 3.38Å; V20-Y249 HydrophobicContact CG1-CD1 4Å; V20-Y249 HydrophobicContact CG1-CE1 4.12Å; V20-Y249 HydrophobicContact CG2-CD1 3.97Å; V20-Y249 HydrophobicContact CG2-CE1 4.35Å; H242-Y249 HydrophobicContact CB-CE2 4.1Å; H242-Y249 AromaticContact CE1-CD2 3.43Å; H242-Y249 VanDerWaalsContact CE1-CD2 3.43Å; H242-Y249 WeakPolarHBondContact CE1-CD2 3.33Å; H242-Y249 AromaticContact CE1-CE2 3.89Å; H242-Y249 AromaticContact CE1-CG 3.84Å; H242-Y249 AromaticContact CG-CE2 3.67Å; H242-Y249 AromaticContact ND1-CD2 3.38Å; H242-Y249 WeakPolarHBondContact ND1-CD2 3.5Å; H242-Y249 AromaticContact ND1-CE2 3.42Å; H242-Y249 WeakPolarHBondContact ND1-CE2 3.27Å; H242-Y249 AromaticContact ND1-CG 3.73Å; H242-Y249 AromaticContact ND1-CZ 3.82Å; I247-Y249 HydrophobicContact CD1-CE1 3.9Å; I247-Y249 HydrophobicContact CG1-CE1 4.2Å; Y249-L253 HydrophobicContact CD1-CD2 3.84Å; Y249-L253 HydrophobicContact CG-CD2 3.92Å; Y249-L253 HydrophobicContact CG-CG 4.16Å; Y249-T254 WeakPolarHBondContact CB-OG1 3.08Å; Y249-I257 HydrophobicContact CD2-CD1 3.71Å; Y249-I257 HydrophobicContact CE2-CD1 3.55Å; Y249-I273 HydrophobicContact CE1-CG1 4Å
250S98.4Very high97.8Very high33 Ų3346.7 Ų46.723%0.23124%0.237CC..  trans-55.3156.1165.360.20000111H19 D252 L253 T254H19-S250 PolarHBondContact O-N 3.47Å; H19-S250 PolarHBondContact O-OG 3.46Å; S250-D252 PolarHBondContact O-N 3.44Å; S250-L253 PolarHBondContact O-N 3.12Å; S250-L253 WeakPolarHBondContact OG-CB 3.35Å; S250-L253 PolarHBondContact OG-N 2.65Å; S250-T254 WeakPolarHBondContact O-CB 3.32Å; S250-T254 PolarHBondContact O-N 2.98Å; S250-T254 PolarHBondContact O-OG1 3.34Å
251E97.9Very high97.7Very high148 Ų14850 Ų5069%0.69225%0.252SS*.Hα-helixtrans-57.2-40.1180-67.1-172.4-175.400112.5T254 K255E251-T254 PolarHBondContact O-N 2.82Å; E251-K255 VanDerWaalsContact O-CG 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 2.65Å; E251-K255 IonicContact OE2-NZ 3.51Å
252D98Very high97.7Very high106 Ų10654.8 Ų54.857%0.56728%0.275SS*.Hα-helixtrans-69.1-42-179.2-71-18.1000111.7S250 T254 K255 K256S250-D252 PolarHBondContact O-N 3.44Å; D252-T254 VanDerWaalsContact C-N 3.34Å; D252-K255 PolarHBondContact O-N 3.19Å; D252-K255 IonicContact OD1-NZ 3.91Å; D252-K256 WeakPolarHBondContact O-CG 3.26Å; D252-K256 PolarHBondContact O-N 3.06Å
253L98.3Very high97.7Very high2 Ų253.3 Ų53.31%0.0127%0.268CS..Hα-helixtrans-63.8-41.7174.2178.255.8000111.4H19 V20 Y249 S250 K255 K256 I257 I263 L269 I273H19-L253 HydrophobicContact CB-CD2 4.31Å; V20-L253 HydrophobicContact CG2-CD2 3.7Å; Y249-L253 HydrophobicContact CD1-CD2 3.84Å; Y249-L253 HydrophobicContact CG-CD2 3.92Å; Y249-L253 HydrophobicContact CG-CG 4.16Å; S250-L253 PolarHBondContact O-N 3.12Å; S250-L253 WeakPolarHBondContact OG-CB 3.35Å; S250-L253 PolarHBondContact OG-N 2.65Å; L253-K255 PolarHBondContact O-N 2.9Å; L253-K256 PolarHBondContact O-N 3.34Å; L253-I257 HydrophobicContact CD1-CD1 3.92Å; L253-I257 HydrophobicContact CD1-CG1 4.19Å; L253-I257 HydrophobicContact CG-CD1 4.01Å; L253-I257 WeakPolarHBondContact O-CG1 3.12Å; L253-I257 PolarHBondContact O-N 3.33Å; L253-I263 HydrophobicContact CD1-CD1 3.58Å; L253-L269 HydrophobicContact CD1-CB 4.22Å; L253-L269 HydrophobicContact CD1-CD1 4.24Å; L253-L269 HydrophobicContact CD1-CD2 4.36Å; L253-I273 HydrophobicContact CD1-CD1 4.21Å; L253-I273 HydrophobicContact CD2-CD1 4.12Å; L253-I273 HydrophobicContact CD2-CG1 4.06Å
254T98.1Very high97.7Very high33 Ų3354.8 Ų54.820%0.20229%0.288CS..Hα-helixtrans-58.6-47175.6-58.10000111.2Y249 S250 E251 D252 K256 I257 H258Y249-T254 WeakPolarHBondContact CB-OG1 3.08Å; S250-T254 WeakPolarHBondContact O-CB 3.32Å; S250-T254 PolarHBondContact O-N 2.98Å; S250-T254 PolarHBondContact O-OG1 3.34Å; E251-T254 PolarHBondContact O-N 2.82Å; D252-T254 VanDerWaalsContact C-N 3.34Å; T254-K256 PolarHBondContact O-N 3.3Å; T254-I257 PolarHBondContact O-N 2.98Å; T254-H258 PolarHBondContact O-CD2 3.19Å; T254-H258 PolarHBondContact O-N 3.09Å
255K98Very high97.7Very high103 Ų10355.9 Ų55.945%0.44830%0.296SS..Hα-helixtrans-59.6-46.5176-73.4165.1-168.3156.20111.9E251 D252 L253 I257 H258 N259E251-K255 VanDerWaalsContact O-CG 3.27Å; E251-K255 WeakPolarHBondContact O-CG 3.37Å; E251-K255 PolarHBondContact O-N 2.65Å; E251-K255 IonicContact OE2-NZ 3.51Å; D252-K255 PolarHBondContact O-N 3.19Å; D252-K255 IonicContact OD1-NZ 3.91Å; L253-K255 PolarHBondContact O-N 2.9Å; K255-I257 VanDerWaalsContact C-N 3.34Å; K255-I257 PolarHBondContact O-N 3.39Å; K255-H258 PolarHBondContact O-N 3.37Å; K255-N259 WeakPolarHBondContact O-CB 3.41Å; K255-N259 PolarHBondContact O-N 3.48Å; K255-N259 PolarHBondContact O-ND2 3.33Å
256K98.1Very high97.7Very high77 Ų7756.4 Ų56.434%0.33530%0.301SS..Hα-helixtrans-57.4-47.1177.9-74-173.2168-66.60112.2D252 L253 T254 N259 G260 E261 L269D252-K256 WeakPolarHBondContact O-CG 3.26Å; D252-K256 PolarHBondContact O-N 3.06Å; L253-K256 PolarHBondContact O-N 3.34Å; T254-K256 PolarHBondContact O-N 3.3Å; K256-N259 PolarHBondContact O-N 3.05Å; K256-G260 PolarHBondContact O-N 2.89Å; K256-E261 HydrophobicContact CB-CB 4.32Å; K256-E261 IonicContact NZ-OE2 2.65Å; K256-E261 PolarHBondContact NZ-OE2 3.28Å; K256-E261 WeakPolarHBondContact O-CB 3.31Å; K256-E261 PolarHBondContact O-N 3.4Å; K256-L269 HydrophobicContact CD-CD1 4.06Å
257I97.7Very high97.7Very high3 Ų358 Ų582%0.01531%0.312CS..Hα-helixtrans-63.1-46.1178.9-70.5171.6000110.6Y249 L253 T254 K255 N259 G260 I263 I273 I319 P320 H322Y249-I257 HydrophobicContact CD2-CD1 3.71Å; Y249-I257 HydrophobicContact CE2-CD1 3.55Å; L253-I257 HydrophobicContact CD1-CD1 3.92Å; L253-I257 HydrophobicContact CD1-CG1 4.19Å; L253-I257 HydrophobicContact CG-CD1 4.01Å; L253-I257 WeakPolarHBondContact O-CG1 3.12Å; L253-I257 PolarHBondContact O-N 3.33Å; T254-I257 PolarHBondContact O-N 2.98Å; K255-I257 VanDerWaalsContact C-N 3.34Å; K255-I257 PolarHBondContact O-N 3.39Å; I257-N259 VanDerWaalsContact C-N 3.32Å; I257-N259 PolarHBondContact O-N 3.18Å; I257-G260 PolarHBondContact O-N 3.01Å; I257-I263 HydrophobicContact CG1-CD1 4.18Å; I257-I273 HydrophobicContact CD1-CD1 4.41Å; I257-I319 HydrophobicContact CG2-CD1 3.94Å; I257-I319 HydrophobicContact CG2-CG1 4.46Å; I257-P320 HydrophobicContact CG2-CG 3.85Å; I257-P320 WeakPolarHBondContact CG2-O 3.47Å; I257-P320 WeakPolarHBondContact O-CG 3.27Å; I257-H322 HydrophobicContact CD1-CB 4.03Å; I257-H322 HydrophobicContact CG1-CB 4.06Å
258H96.9Very high97.7Very high101 Ų10161.4 Ų61.447%0.46833%0.328SS..Hα-helixtrans-62.6-35.6176.7-82.8-65000113.9T254 K255 G260 K318T254-H258 PolarHBondContact O-CD2 3.19Å; T254-H258 PolarHBondContact O-N 3.09Å; K255-H258 PolarHBondContact O-N 3.37Å; H258-G260 PolarHBondContact O-N 3Å; H258-K318 PolarHBondContact CE1-O 2.94Å
259N96.1Very high97.7Very high114 Ų11459.3 Ų59.361%0.6132%0.32SS*.THydrogen-bonded Turntrans-72.7-6.2175.8-68.8-16.2000113K255 K256 I257 E261K255-N259 WeakPolarHBondContact O-CB 3.41Å; K255-N259 PolarHBondContact O-N 3.48Å; K255-N259 PolarHBondContact O-ND2 3.33Å; K256-N259 PolarHBondContact O-N 3.05Å; I257-N259 VanDerWaalsContact C-N 3.32Å; I257-N259 PolarHBondContact O-N 3.18Å; N259-E261 HydrophobicContact CB-CG 3.89Å; N259-E261 PolarHBondContact ND2-OE1 3.45Å; N259-E261 PolarHBondContact O-N 2.88Å
260G94.1Very high97.7Very high27 Ų2758.1 Ų58.128%0.27832%0.315SS..THydrogen-bonded Turntrans67.122.5-174.600000113.1K256 I257 H258K256-G260 PolarHBondContact O-N 2.89Å; I257-G260 PolarHBondContact O-N 3.01Å; H258-G260 PolarHBondContact O-N 3Å
261E96.9Very high97.8Very high69 Ų6956.6 Ų56.632%0.32230%0.304SS..PPolyproline II helixtrans-65.9136.4177.1-69.6173.7-130.300110.1K256 N259K256-E261 HydrophobicContact CB-CB 4.32Å; K256-E261 IonicContact NZ-OE2 2.65Å; K256-E261 PolarHBondContact NZ-OE2 3.28Å; K256-E261 WeakPolarHBondContact O-CB 3.31Å; K256-E261 PolarHBondContact O-N 3.4Å; N259-E261 HydrophobicContact CB-CG 3.89Å; N259-E261 PolarHBondContact ND2-OE1 3.45Å; N259-E261 PolarHBondContact O-N 2.88Å
262E97.4Very high97.8Very high102 Ų10249.5 Ų49.548%0.47727%0.271SS..BIsolated β-bridgetrans-71.7132.2173.5-65.3-167.8-169.400110.8W75 N77 R323W75-E262 HydrophobicContact CH2-CG 4.05Å; N77-E262 PolarHBondContact ND2-OE1 3.06Å; N77-E262 PolarHBondContact OD1-OE1 3.22Å; E262-R323 CarbonylContact C-O 3.6Å; E262-R323 VanDerWaalsContact CA-O 3.24Å; E262-R323 WeakPolarHBondContact CA-O 3.36Å; E262-R323 HydrophobicContact CG-CB 4.32Å
263I98.2Very high97.9Very high8 Ų844.5 Ų44.54%0.04124%0.244CC..PPolyproline II helixtrans-99.2123.7173.4-54.1-177000107.9L253 I257 N265 S267 L269 E270 I273 H322 R323 T324L253-I263 HydrophobicContact CD1-CD1 3.58Å; I257-I263 HydrophobicContact CG1-CD1 4.18Å; I263-N265 PolarHBondContact O-N 3.49Å; I263-S267 WeakPolarHBondContact CG2-OG 3.47Å; I263-L269 HydrophobicContact CG2-CB 3.84Å; I263-E270 HydrophobicContact CG2-CB 3.8Å; I263-I273 HydrophobicContact CD1-CD1 4.09Å; I263-H322 HydrophobicContact CD1-CB 4.06Å; I263-R323 PolarHBondContact N-O 3.04Å; I263-T324 WeakPolarHBondContact O-CA 3.5Å; I263-T324 WeakPolarHBondContact O-CB 3.4Å; I263-T324 WeakPolarHBondContact O-CG2 3.38Å; I263-T324 PolarHBondContact O-OG1 2.92Å
264A98.3Very high97.9Very high68 Ų6844.4 Ų44.456%0.56224%0.244SC*.PPolyproline II helixtrans-62.5136.6-177.700000112.1G266 S267A264-G266 PolarHBondContact O-N 2.88Å; A264-S267 WeakPolarHBondContact O-CB 3.25Å; A264-S267 PolarHBondContact O-N 3.24Å; A264-S267 VanDerWaalsContact O-N 3.1Å; A264-S267 PolarHBondContact O-OG 3.48Å
265N98.3Very high97.9Very high61 Ų6142.8 Ų42.833%0.32623%0.234SC..THydrogen-bonded Turntrans-61130.9173.6176.283.7000111.1I263 S267 T324 C326I263-N265 PolarHBondContact O-N 3.49Å; N265-S267 PolarHBondContact O-N 3.29Å; N265-T324 HydrophobicContact CB-CG2 3.78Å; N265-C326 HydrophobicContact CB-CB 3.91Å; N265-C326 VanDerWaalsContact OD1-CB 3.25Å; N265-C326 WeakPolarHBondContact OD1-CB 3.42Å
266G98Very high98Very high28 Ų2837.9 Ų37.929%0.28921%0.213SC..THydrogen-bonded Turntrans76.16.8-176.700000114A264 E270A264-G266 PolarHBondContact O-N 2.88Å; G266-E270 WeakPolarHBondContact CA-OE2 3.43Å; G266-E270 PolarHBondContact N-OE2 2.98Å
267S98.4Very high98Very high33 Ų3334.2 Ų34.223%0.23120%0.197CC..  trans-72.4156.9169.668.40000110.9I263 A264 N265 L269 E270 V271I263-S267 WeakPolarHBondContact CG2-OG 3.47Å; A264-S267 WeakPolarHBondContact O-CB 3.25Å; A264-S267 PolarHBondContact O-N 3.24Å; A264-S267 VanDerWaalsContact O-N 3.1Å; A264-S267 PolarHBondContact O-OG 3.48Å; N265-S267 PolarHBondContact O-N 3.29Å; S267-L269 VanDerWaalsContact C-N 3.28Å; S267-L269 PolarHBondContact O-N 3.28Å; S267-E270 PolarHBondContact O-N 3.45Å; S267-E270 PolarHBondContact OG-N 3.45Å; S267-V271 WeakPolarHBondContact O-CB 3.5Å; S267-V271 VanDerWaalsContact O-CG2 3.27Å; S267-V271 WeakPolarHBondContact O-CG2 3.43Å; S267-V271 PolarHBondContact O-N 3.38Å
268E98.4Very high98Very high71 Ų7134.2 Ų34.233%0.33220%0.196SC..Hα-helixtrans-53.1-44.5176.6169154.7-161.300112.6Y193 K194 E270 V271 E272Y193-E268 HydrophobicContact CE2-CB 4.29Å; Y193-E268 HydrophobicContact CE2-CG 3.9Å; K194-E268 WeakPolarHBondContact CE-OE1 3.4Å; K194-E268 IonicContact NZ-OE1 3.56Å; K194-E268 PolarHBondContact NZ-OE1 3.5Å; E268-E270 PolarHBondContact O-N 3.14Å; E268-V271 PolarHBondContact O-N 3.4Å; E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 VanDerWaalsContact O-CG 3.31Å; E268-E272 WeakPolarHBondContact O-CG 3.28Å; E268-E272 PolarHBondContact O-N 2.83Å
269L98.6Very high98.1Very high34 Ų3430.4 Ų30.418%0.17818%0.179CC..Hα-helixtrans-59.2-47.7177.3-60.4179.7000112.6H19 L253 K256 I263 S267 I273H19-L269 HydrophobicContact CB-CD2 3.61Å; H19-L269 VanDerWaalsContact CD2-CD2 3.46Å; H19-L269 WeakPolarHBondContact CD2-CD2 3.28Å; L253-L269 HydrophobicContact CD1-CB 4.22Å; L253-L269 HydrophobicContact CD1-CD1 4.24Å; L253-L269 HydrophobicContact CD1-CD2 4.36Å; K256-L269 HydrophobicContact CD-CD1 4.06Å; I263-L269 HydrophobicContact CG2-CB 3.84Å; S267-L269 VanDerWaalsContact C-N 3.28Å; S267-L269 PolarHBondContact O-N 3.28Å; L269-I273 WeakPolarHBondContact O-CD1 3.48Å; L269-I273 VanDerWaalsContact O-CG1 3.27Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 2.82Å
270E98.6Very high98.3Very high0 Ų025 Ų250%015%0.15CC..Hα-helixtrans-68.5-44-177.9-179.8-95.2168.400112.1I263 G266 S267 E268 E272 I273 R274 T324 Y329I263-E270 HydrophobicContact CG2-CB 3.8Å; G266-E270 WeakPolarHBondContact CA-OE2 3.43Å; G266-E270 PolarHBondContact N-OE2 2.98Å; S267-E270 PolarHBondContact O-N 3.45Å; S267-E270 PolarHBondContact OG-N 3.45Å; E268-E270 PolarHBondContact O-N 3.14Å; E270-E272 VanDerWaalsContact C-N 3.32Å; E270-E272 PolarHBondContact O-N 2.99Å; E270-I273 PolarHBondContact O-N 3.4Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 3.09Å; E270-R274 VanDerWaalsContact O-N 3.15Å; E270-R274 WeakPolarHBondContact OE1-CD 3.44Å; E270-R274 IonicContact OE1-CZ 3.53Å; E270-R274 IonicContact OE1-NE 3.97Å; E270-R274 IonicContact OE1-NH1 2.58Å; E270-R274 PolarHBondContact OE1-NH1 3.1Å; E270-T324 HydrophobicContact CG-CG2 3.97Å; E270-Y329 WeakPolarHBondContact CG-OH 3.46Å; E270-Y329 VanDerWaalsContact OE1-CE1 3.22Å; E270-Y329 WeakPolarHBondContact OE1-CE1 3.34Å; E270-Y329 PolarHBondContact OE1-OH 2.92Å
271V98.8Very high98.5Very high0 Ų023.7 Ų23.70%014%0.137CC..Hα-helixtrans-62.5-40.7178.8171.60000110.9V13 Y193 V198 F200 S267 E268 R274 A275V13-V271 HydrophobicContact CG1-CG1 4.13Å; V13-V271 HydrophobicContact CG2-CG1 3.83Å; Y193-V271 HydrophobicContact CD2-CB 4Å; Y193-V271 HydrophobicContact CD2-CG1 3.52Å; Y193-V271 HydrophobicContact CE2-CG1 4.25Å; Y193-V271 HydrophobicContact CG-CG1 3.92Å; V198-V271 HydrophobicContact CG2-CG1 4.27Å; F200-V271 HydrophobicContact CE2-CB 4.45Å; F200-V271 HydrophobicContact CE2-CG1 4.07Å; F200-V271 HydrophobicContact CE2-CG2 4.33Å; F200-V271 HydrophobicContact CZ-CB 4.43Å; F200-V271 HydrophobicContact CZ-CG1 3.83Å; F200-V271 WeakPolarHBondContact CZ-O 3.48Å; S267-V271 WeakPolarHBondContact O-CB 3.5Å; S267-V271 VanDerWaalsContact O-CG2 3.27Å; S267-V271 WeakPolarHBondContact O-CG2 3.43Å; S267-V271 PolarHBondContact O-N 3.38Å; E268-V271 PolarHBondContact O-N 3.4Å; V271-R274 PolarHBondContact O-N 3.26Å; V271-A275 VanDerWaalsContact O-CB 3.32Å; V271-A275 WeakPolarHBondContact O-CB 3.48Å; V271-A275 PolarHBondContact O-N 2.65Å
272E98.8Very high98.6Very high0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-65.6-42.4176.6-75.4-176.5-162.400112.9V13 A17 E18 H19 V20 Y193 E268 E270 R274 A275 A276V13-E272 HydrophobicContact CG1-CB 4.45Å; V13-E272 HydrophobicContact CG1-CG 3.87Å; A17-E272 WeakPolarHBondContact CA-OE1 3.47Å; A17-E272 HydrophobicContact CB-CG 3.89Å; E18-E272 PolarHBondContact N-OE1 3Å; E18-E272 PolarHBondContact N-OE2 3.03Å; H19-E272 WeakPolarHBondContact CA-OE2 3.47Å; H19-E272 WeakPolarHBondContact CB-OE2 3.21Å; H19-E272 IonicContact CD2-OE1 3.86Å; H19-E272 IonicContact CD2-OE2 2.98Å; H19-E272 PolarHBondContact N-OE2 3.37Å; V20-E272 HydrophobicContact CB-CB 4.03Å; V20-E272 HydrophobicContact CG2-CB 3.68Å; V20-E272 PolarHBondContact N-OE2 2.63Å; Y193-E272 HydrophobicContact CE2-CG 3.87Å; Y193-E272 PolarHBondContact OH-OE1 3.32Å; E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 VanDerWaalsContact O-CG 3.31Å; E268-E272 WeakPolarHBondContact O-CG 3.28Å; E268-E272 PolarHBondContact O-N 2.83Å; E270-E272 VanDerWaalsContact C-N 3.32Å; E270-E272 PolarHBondContact O-N 2.99Å; E272-R274 VanDerWaalsContact C-N 3.29Å; E272-R274 PolarHBondContact O-N 2.91Å; E272-A275 PolarHBondContact O-N 2.99Å; E272-A276 VanDerWaalsContact O-CB 3.28Å; E272-A276 WeakPolarHBondContact O-CB 3.28Å; E272-A276 PolarHBondContact O-N 3.35Å
273I98.8Very high98.6Very high0 Ų020.8 Ų20.80%013%0.125CC..Hα-helixtrans-57.4-45.7175.9-68164.1000110.5V20 P238 Y249 L253 I257 I263 L269 E270 A276 T277 H322V20-I273 HydrophobicContact CG2-CG1 3.92Å; P238-I273 HydrophobicContact CB-CG2 3.61Å; P238-I273 HydrophobicContact CG-CG2 3.88Å; Y249-I273 HydrophobicContact CE1-CG1 4Å; L253-I273 HydrophobicContact CD1-CD1 4.21Å; L253-I273 HydrophobicContact CD2-CD1 4.12Å; L253-I273 HydrophobicContact CD2-CG1 4.06Å; I257-I273 HydrophobicContact CD1-CD1 4.41Å; I263-I273 HydrophobicContact CD1-CD1 4.09Å; L269-I273 WeakPolarHBondContact O-CD1 3.48Å; L269-I273 VanDerWaalsContact O-CG1 3.27Å; L269-I273 WeakPolarHBondContact O-CG1 3.5Å; L269-I273 PolarHBondContact O-N 2.82Å; E270-I273 PolarHBondContact O-N 3.4Å; I273-A276 PolarHBondContact O-N 2.84Å; I273-T277 PolarHBondContact O-N 3.49Å; I273-T277 PolarHBondContact O-OG1 3.48Å; I273-H322 HydrophobicContact CD1-CB 4.13Å
274R98.8Very high98.6Very high0 Ų020.5 Ų20.50%012%0.124CC..Hα-helixtrans-71.2-39.7-177-65.8-177.976.7-158.90.2112.3D189 F200 A233 E270 V271 E272 T277 I278 Y329D189-R274 IonicContact OD1-CZ 3.95Å; D189-R274 IonicContact OD1-NH1 2.72Å; D189-R274 PolarHBondContact OD1-NH1 2.97Å; D189-R274 IonicContact OD1-NH2 2.66Å; D189-R274 IonicContact OD2-CZ 2.65Å; D189-R274 IonicContact OD2-NH1 2.99Å; D189-R274 PolarHBondContact OD2-NH1 3.45Å; D189-R274 IonicContact OD2-NH2 3.46Å; D189-R274 PolarHBondContact OD2-NH2 3.1Å; F200-R274 HydrophobicContact CD1-CB 3.82Å; F200-R274 HydrophobicContact CD2-CB 4.46Å; F200-R274 HydrophobicContact CE1-CB 3.57Å; F200-R274 HydrophobicContact CE2-CB 4.22Å; F200-R274 HydrophobicContact CG-CB 4.27Å; F200-R274 HydrophobicContact CZ-CB 3.77Å; A233-R274 HydrophobicContact CB-CB 3.87Å; A233-R274 HydrophobicContact CB-CG 4.21Å; A233-R274 PolarHBondContact O-NE 2.74Å; A233-R274 PolarHBondContact O-NH2 3.46Å; A233-R274 VanDerWaalsContact O-NH2 3.16Å; E270-R274 WeakPolarHBondContact O-CG 3.34Å; E270-R274 PolarHBondContact O-N 3.09Å; E270-R274 VanDerWaalsContact O-N 3.15Å; E270-R274 WeakPolarHBondContact OE1-CD 3.44Å; E270-R274 IonicContact OE1-CZ 3.53Å; E270-R274 IonicContact OE1-NE 3.97Å; E270-R274 IonicContact OE1-NH1 2.58Å; E270-R274 PolarHBondContact OE1-NH1 3.1Å; V271-R274 PolarHBondContact O-N 3.26Å; E272-R274 VanDerWaalsContact C-N 3.29Å; E272-R274 PolarHBondContact O-N 2.91Å; R274-T277 WeakPolarHBondContact O-CB 3.41Å; R274-T277 PolarHBondContact O-N 2.95Å; R274-I278 PolarHBondContact O-N 3.16Å; R274-Y329 VanDerWaalsContact CZ-CE1 3.4Å
275A98.9Very high98.6Very high0 Ų018 Ų180%010%0.101CC..Hα-helixtrans-63.6-43.917400000112.2S10 V13 M14 F200 V271 E272 T277 I278 L279S10-A275 WeakPolarHBondContact CB-O 3.2Å; V13-A275 HydrophobicContact CB-CB 3.52Å; V13-A275 HydrophobicContact CG1-CB 3.4Å; V13-A275 VanDerWaalsContact CG1-CB 3.4Å; V13-A275 HydrophobicContact CG2-CB 4.18Å; M14-A275 HydrophobicContact CG-CB 4.17Å; M14-A275 HydrophobicContact SD-CB 4.1Å; F200-A275 HydrophobicContact CE1-CB 4.17Å; F200-A275 HydrophobicContact CZ-CB 4.42Å; V271-A275 VanDerWaalsContact O-CB 3.32Å; V271-A275 WeakPolarHBondContact O-CB 3.48Å; V271-A275 PolarHBondContact O-N 2.65Å; E272-A275 PolarHBondContact O-N 2.99Å; A275-T277 VanDerWaalsContact C-N 3.27Å; A275-T277 PolarHBondContact O-N 2.92Å; A275-I278 PolarHBondContact O-N 3.5Å; A275-L279 WeakPolarHBondContact O-CB 3.37Å; A275-L279 PolarHBondContact O-N 2.85Å
276A98.9Very high98.6Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-60.9-39.5176.500000111.3M14 V20 I22 I247 E272 I273 L279 A280M14-A276 HydrophobicContact CE-CB 3.98Å; M14-A276 VanDerWaalsContact SD-CA 3.55Å; M14-A276 HydrophobicContact SD-CB 3.63Å; M14-A276 PolarHBondContact SD-N 2.99Å; M14-A276 VanDerWaalsContact SD-N 3.44Å; V20-A276 HydrophobicContact CB-CB 4.37Å; V20-A276 HydrophobicContact CG1-CB 3.39Å; I22-A276 HydrophobicContact CG1-CB 4.35Å; I247-A276 HydrophobicContact CB-CB 4.42Å; I247-A276 HydrophobicContact CG2-CB 3.94Å; E272-A276 VanDerWaalsContact O-CB 3.28Å; E272-A276 WeakPolarHBondContact O-CB 3.28Å; E272-A276 PolarHBondContact O-N 3.35Å; I273-A276 PolarHBondContact O-N 2.84Å; A276-L279 PolarHBondContact O-N 3.32Å; A276-A280 WeakPolarHBondContact O-CB 3.3Å; A276-A280 PolarHBondContact O-N 3.42Å
277T98.9Very high98.6Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-58.3-53.6176.2-59.10000111.9A233 V237 P238 L241 I273 R274 A275 L279 A280 V281A233-T277 HydrophobicContact CB-CG2 4.08Å; V237-T277 HydrophobicContact CB-CG2 4.11Å; V237-T277 HydrophobicContact CG1-CG2 3.68Å; P238-T277 VanDerWaalsContact CB-OG1 3.3Å; P238-T277 WeakPolarHBondContact CB-OG1 3.45Å; L241-T277 HydrophobicContact CD1-CG2 3.87Å; I273-T277 PolarHBondContact O-N 3.49Å; I273-T277 PolarHBondContact O-OG1 3.48Å; R274-T277 WeakPolarHBondContact O-CB 3.41Å; R274-T277 PolarHBondContact O-N 2.95Å; A275-T277 VanDerWaalsContact C-N 3.27Å; A275-T277 PolarHBondContact O-N 2.92Å; T277-L279 PolarHBondContact O-N 3.39Å; T277-A280 PolarHBondContact O-N 3.28Å; T277-V281 WeakPolarHBondContact O-CG2 3.47Å; T277-V281 PolarHBondContact O-N 3.1Å
278I98.9Very high98.6Very high2 Ų219.4 Ų19.41%0.019%0.094CC..Hα-helixtrans-60.9-46.9179.8-75167.8000110.9P6 L7 S10 F200 T230 A231 A233 R274 A275 V281 H282P6-I278 HydrophobicContact CB-CD1 4.12Å; L7-I278 HydrophobicContact CD1-CG2 4.32Å; S10-I278 VanDerWaalsContact OG-CB 3.29Å; S10-I278 WeakPolarHBondContact OG-CB 3.5Å; S10-I278 WeakPolarHBondContact OG-CD1 3.12Å; S10-I278 VanDerWaalsContact OG-CG2 3.27Å; S10-I278 WeakPolarHBondContact OG-CG2 3.44Å; F200-I278 HydrophobicContact CD1-CD1 3.72Å; F200-I278 HydrophobicContact CE1-CD1 4.38Å; T230-I278 HydrophobicContact CG2-CG2 4.03Å; A231-I278 HydrophobicContact CB-CG1 4.47Å; A233-I278 HydrophobicContact CB-CD1 4.25Å; A233-I278 HydrophobicContact CB-CG1 4.07Å; R274-I278 PolarHBondContact O-N 3.16Å; A275-I278 PolarHBondContact O-N 3.5Å; I278-V281 PolarHBondContact O-N 2.91Å; I278-H282 WeakPolarHBondContact O-CB 3.42Å; I278-H282 PolarHBondContact O-N 3.24Å
279L98.7Very high98.5Very high21 Ų2119.2 Ų19.211%0.1110%0.095CC..Hα-helixtrans-70.6-35.7-176.1-17658.7000112.2L11 M14 I22 A275 A276 T277 H282 N283L11-L279 HydrophobicContact CD2-CD1 3.62Å; L11-L279 HydrophobicContact CD2-CD2 4.22Å; L11-L279 HydrophobicContact CG-CD1 4.37Å; M14-L279 HydrophobicContact CB-CD2 3.69Å; M14-L279 HydrophobicContact CG-CB 4.38Å; M14-L279 HydrophobicContact CG-CD2 3.76Å; I22-L279 HydrophobicContact CD1-CB 3.69Å; I22-L279 HydrophobicContact CD1-CD2 3.76Å; I22-L279 HydrophobicContact CD1-CG 3.66Å; A275-L279 WeakPolarHBondContact O-CB 3.37Å; A275-L279 PolarHBondContact O-N 2.85Å; A276-L279 PolarHBondContact O-N 3.32Å; T277-L279 PolarHBondContact O-N 3.39Å; L279-H282 PolarHBondContact O-N 2.83Å; L279-N283 WeakPolarHBondContact O-CB 3.32Å; L279-N283 PolarHBondContact O-N 2.95Å; L279-N283 PolarHBondContact O-ND2 3.47Å
280A98.8Very high98.4Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-63.2-47.317400000111.3I22 I27 L241 I247 A276 T277 N283 I284I22-A280 HydrophobicContact CD1-CB 4.4Å; I27-A280 HydrophobicContact CD1-CB 4.05Å; L241-A280 HydrophobicContact CD1-CB 4.08Å; L241-A280 HydrophobicContact CD2-CB 4.36Å; I247-A280 HydrophobicContact CG2-CB 3.87Å; A276-A280 WeakPolarHBondContact O-CB 3.3Å; A276-A280 PolarHBondContact O-N 3.42Å; T277-A280 PolarHBondContact O-N 3.28Å; A280-N283 PolarHBondContact O-N 3.27Å; A280-I284 VanDerWaalsContact O-CG1 3.32Å; A280-I284 WeakPolarHBondContact O-CG1 3.47Å; A280-I284 PolarHBondContact O-N 3.03Å
281V98.7Very high98.2Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-63.5-42176.2170.70000111.6A231 L241 T277 I278 N283 I284 V285 V300 L304A231-V281 HydrophobicContact CB-CB 3.66Å; A231-V281 HydrophobicContact CB-CG1 3.73Å; A231-V281 HydrophobicContact CB-CG2 3.7Å; L241-V281 HydrophobicContact CD1-CG2 4.23Å; T277-V281 WeakPolarHBondContact O-CG2 3.47Å; T277-V281 PolarHBondContact O-N 3.1Å; I278-V281 PolarHBondContact O-N 2.91Å; V281-N283 VanDerWaalsContact C-N 3.27Å; V281-N283 PolarHBondContact O-N 3.29Å; V281-I284 WeakPolarHBondContact O-CB 3.46Å; V281-I284 PolarHBondContact O-N 3.22Å; V281-I284 VanDerWaalsContact O-N 3.14Å; V281-V285 HydrophobicContact CG1-CG2 4.31Å; V281-V285 WeakPolarHBondContact O-CG2 3.38Å; V281-V285 PolarHBondContact O-N 2.91Å; V281-V300 HydrophobicContact CG1-CB 4.02Å; V281-V300 HydrophobicContact CG1-CG1 3.87Å; V281-V300 HydrophobicContact CG2-CG1 4.45Å; V281-L304 HydrophobicContact CG2-CD1 3.74Å
282H98.6Very high98Very high61 Ų6133.7 Ų33.728%0.28218%0.175SC..Hα-helixtrans-55.7-43.7173.6177.680.5000111.8L7 I278 L279 V285 K286L7-H282 HydrophobicContact CD1-CB 3.97Å; I278-H282 WeakPolarHBondContact O-CB 3.42Å; I278-H282 PolarHBondContact O-N 3.24Å; L279-H282 PolarHBondContact O-N 2.83Å; H282-V285 PolarHBondContact O-N 3.42Å; H282-K286 WeakPolarHBondContact O-CB 3.41Å; H282-K286 PolarHBondContact O-N 2.82Å
283N98.6Very high97.7Very high50 Ų5034.9 Ų34.927%0.26718%0.181SC..Hα-helixtrans-67.7-36.9177.3-71-24000112.7I27 L279 A280 V281 S287I27-N283 HydrophobicContact CD1-CB 4.05Å; I27-N283 HydrophobicContact CG2-CB 4.42Å; L279-N283 WeakPolarHBondContact O-CB 3.32Å; L279-N283 PolarHBondContact O-N 2.95Å; L279-N283 PolarHBondContact O-ND2 3.47Å; A280-N283 PolarHBondContact O-N 3.27Å; V281-N283 VanDerWaalsContact C-N 3.27Å; V281-N283 PolarHBondContact O-N 3.29Å; N283-S287 WeakPolarHBondContact O-CB 3.46Å; N283-S287 PolarHBondContact O-N 2.66Å
284I98.5Very high97.4Very high2 Ų240 Ų401%0.0122%0.217CC..Hα-helixtrans-61.8-51.2173.3-68.5163.8000110.1I27 L30 V31 L241 A280 V281 K286 S287 L288 V300I27-I284 HydrophobicContact CG2-CG1 3.88Å; L30-I284 HydrophobicContact CD2-CD1 3.72Å; L30-I284 HydrophobicContact CG-CD1 4.49Å; V31-I284 HydrophobicContact CG2-CB 4.29Å; V31-I284 HydrophobicContact CG2-CG1 4.28Å; V31-I284 HydrophobicContact CG2-CG2 4.01Å; L241-I284 HydrophobicContact CD2-CD1 3.88Å; A280-I284 VanDerWaalsContact O-CG1 3.32Å; A280-I284 WeakPolarHBondContact O-CG1 3.47Å; A280-I284 PolarHBondContact O-N 3.03Å; V281-I284 WeakPolarHBondContact O-CB 3.46Å; V281-I284 PolarHBondContact O-N 3.22Å; V281-I284 VanDerWaalsContact O-N 3.14Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.43Å; I284-S287 PolarHBondContact O-N 2.93Å; I284-S287 VanDerWaalsContact O-N 3.12Å; I284-L288 HydrophobicContact CG2-CD1 3.68Å; I284-L288 HydrophobicContact CG2-CG 4.33Å; I284-L288 WeakPolarHBondContact O-CG 3.41Å; I284-L288 PolarHBondContact O-N 3.31Å; I284-V300 HydrophobicContact CB-CG1 4.37Å; I284-V300 HydrophobicContact CG2-CG1 3.79Å; I284-V300 HydrophobicContact CG2-CG2 4.29Å
285V98.1Very high97.3Very high15 Ų1540.4 Ų40.49%0.09122%0.219CC..Hα-helixtrans-56.2-47.7177.5170.90000110.8V281 H282 S287 L288 N289 V300V281-V285 HydrophobicContact CG1-CG2 4.31Å; V281-V285 WeakPolarHBondContact O-CG2 3.38Å; V281-V285 PolarHBondContact O-N 2.91Å; H282-V285 PolarHBondContact O-N 3.42Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 2.65Å; V285-L288 PolarHBondContact O-N 3.28Å; V285-N289 WeakPolarHBondContact CG1-ND2 3.38Å; V285-N289 WeakPolarHBondContact O-CB 3.37Å; V285-N289 PolarHBondContact O-N 3.38Å; V285-N289 PolarHBondContact O-ND2 3.19Å; V285-V300 HydrophobicContact CG2-CB 4.14Å; V285-V300 HydrophobicContact CG2-CG2 3.57Å
286K98.1Very high97.2Very high143 Ų14340.7 Ų40.762%0.62222%0.221SC*.Hα-helixtrans-58.8-42.5177.2-174.6178.7179.2179.20112.1H282 I284 S290H282-K286 WeakPolarHBondContact O-CB 3.41Å; H282-K286 PolarHBondContact O-N 2.82Å; I284-K286 VanDerWaalsContact C-N 3.33Å; I284-K286 PolarHBondContact O-N 3.43Å; K286-S290 PolarHBondContact O-N 3.33Å
287S97.9Very high97.2Very high9 Ų941 Ų416%0.06322%0.223CC..Hα-helixtrans-68.6-44179.1-166.10000112Q28 N283 I284 V285 S290 K291Q28-S287 PolarHBondContact NE2-OG 3.1Å; Q28-S287 PolarHBondContact OE1-OG 3.06Å; N283-S287 WeakPolarHBondContact O-CB 3.46Å; N283-S287 PolarHBondContact O-N 2.66Å; I284-S287 PolarHBondContact O-N 2.93Å; I284-S287 VanDerWaalsContact O-N 3.12Å; V285-S287 VanDerWaalsContact C-N 3.32Å; V285-S287 PolarHBondContact O-N 2.65Å; S287-S290 WeakPolarHBondContact O-CB 3.18Å; S287-S290 PolarHBondContact O-N 2.68Å; S287-S290 PolarHBondContact O-OG 2.77Å; S287-K291 PolarHBondContact O-N 2.86Å
288L97.5Very high97.1Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-60.4-46.5175.7-72.1167.8000112V31 V34 F41 I284 V285 S290 K291 N292 I293 C295 V300V31-L288 HydrophobicContact CG1-CD2 3.87Å; V31-L288 HydrophobicContact CG1-CG 4.15Å; V34-L288 HydrophobicContact CB-CD2 4.45Å; V34-L288 HydrophobicContact CG1-CD1 4.21Å; V34-L288 HydrophobicContact CG1-CD2 3.96Å; F41-L288 HydrophobicContact CE2-CD1 3.93Å; F41-L288 HydrophobicContact CZ-CD1 3.88Å; I284-L288 HydrophobicContact CG2-CD1 3.68Å; I284-L288 HydrophobicContact CG2-CG 4.33Å; I284-L288 WeakPolarHBondContact O-CG 3.41Å; I284-L288 PolarHBondContact O-N 3.31Å; V285-L288 PolarHBondContact O-N 3.28Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 2.81Å; L288-K291 CarbonylContact O-C 3.54Å; L288-K291 WeakPolarHBondContact O-CA 3.48Å; L288-K291 WeakPolarHBondContact O-CB 3.28Å; L288-K291 PolarHBondContact O-N 3.39Å; L288-N292 PolarHBondContact O-N 2.9Å; L288-I293 CarbonylContact C-O 3.6Å; L288-I293 HydrophobicContact CB-CB 4.28Å; L288-I293 HydrophobicContact CD2-CD1 3.89Å; L288-I293 HydrophobicContact CD2-CG2 4.47Å; L288-I293 PolarHBondContact O-N 3.35Å; L288-C295 VanDerWaalsContact CB-SG 3.57Å; L288-V300 HydrophobicContact CD1-CG2 4.01Å
289N96.9Very high97Very high67 Ų6742.1 Ų42.136%0.35823%0.229SC..Hα-helixtrans-62.5-35.8176.5-77.3-38000112.2V285 K291 N292 I293 S294 C295V285-N289 WeakPolarHBondContact CG1-ND2 3.38Å; V285-N289 WeakPolarHBondContact O-CB 3.37Å; V285-N289 PolarHBondContact O-N 3.38Å; V285-N289 PolarHBondContact O-ND2 3.19Å; N289-K291 PolarHBondContact O-N 3.48Å; N289-N292 PolarHBondContact O-N 3.05Å; N289-I293 PolarHBondContact OD1-O 2.67Å; N289-S294 WeakPolarHBondContact OD1-CA 3.32Å; N289-C295 PolarHBondContact ND2-O 3.07Å; N289-C295 PolarHBondContact OD1-N 3.4Å; N289-C295 VanDerWaalsContact OD1-N 3.12Å; N289-C295 PolarHBondContact OD1-O 2.85Å
290S96.7Very high96.9Very high88 Ų8841.2 Ų41.262%0.61522%0.224SC*.Hα-helixtrans-64.6-20.717481.40000113.6K286 S287 L288K286-S290 PolarHBondContact O-N 3.33Å; S287-S290 WeakPolarHBondContact O-CB 3.18Å; S287-S290 PolarHBondContact O-N 2.68Å; S287-S290 PolarHBondContact O-OG 2.77Å; L288-S290 VanDerWaalsContact C-N 3.3Å; L288-S290 PolarHBondContact O-N 2.81Å
291K95.4Very high96.9Very high95 Ų9541.5 Ų41.541%0.41323%0.225SC..THydrogen-bonded Turntrans-95.914.7173.9-65.2173.5-179.1-80.90112.5V31 S287 L288 N289 I293V31-K291 HydrophobicContact CG1-CD 4.07Å; S287-K291 PolarHBondContact O-N 2.86Å; L288-K291 CarbonylContact O-C 3.54Å; L288-K291 WeakPolarHBondContact O-CA 3.48Å; L288-K291 WeakPolarHBondContact O-CB 3.28Å; L288-K291 PolarHBondContact O-N 3.39Å; N289-K291 PolarHBondContact O-N 3.48Å; K291-I293 VanDerWaalsContact C-N 3.26Å; K291-I293 PolarHBondContact O-N 3.41Å
292N93.4Very high96.7Very high155 Ų15542.5 Ų42.583%0.82923%0.231SC*.THydrogen-bonded Turntrans62.224.5-177.2-54.2-62.6000114.9L288 N289L288-N292 PolarHBondContact O-N 2.9Å; N289-N292 PolarHBondContact O-N 3.05Å
293I93.8Very high96.6Very high25 Ų2540.4 Ų40.413%0.12822%0.221CC..  trans-95.699.8170.2-61.6167.2000107.4C35 S39 L288 N289 K291 C295C35-I293 HydrophobicContact CB-CD1 4.03Å; C35-I293 WeakPolarHBondContact SG-CD1 3.49Å; S39-I293 WeakPolarHBondContact OG-CD1 3.31Å; S39-I293 WeakPolarHBondContact OG-CG2 3.37Å; L288-I293 CarbonylContact C-O 3.6Å; L288-I293 HydrophobicContact CB-CB 4.28Å; L288-I293 HydrophobicContact CD2-CD1 3.89Å; L288-I293 HydrophobicContact CD2-CG2 4.47Å; L288-I293 PolarHBondContact O-N 3.35Å; N289-I293 PolarHBondContact OD1-O 2.67Å; K291-I293 VanDerWaalsContact C-N 3.26Å; K291-I293 PolarHBondContact O-N 3.41Å; I293-C295 PolarHBondContact O-N 2.85Å
294S92.5Very high96.5Very high108 Ų10838.1 Ų38.176%0.75521%0.208SC*.  trans-64.8113.2-179.9-176.20000110.4N289N289-S294 WeakPolarHBondContact OD1-CA 3.32Å
295C95.5Very high96.4Very high7 Ų740.2 Ų40.25%0.04722%0.216CC..  trans-156164176.463.90000112.1F41 L288 N289 I293 M299F41-C295 HydrophobicContact CD2-CB 3.77Å; F41-C295 HydrophobicContact CE2-CB 3.64Å; L288-C295 VanDerWaalsContact CB-SG 3.57Å; N289-C295 PolarHBondContact ND2-O 3.07Å; N289-C295 PolarHBondContact OD1-N 3.4Å; N289-C295 VanDerWaalsContact OD1-N 3.12Å; N289-C295 PolarHBondContact OD1-O 2.85Å; I293-C295 PolarHBondContact O-N 2.85Å; C295-M299 HydrophobicContact CB-CB 4.36Å; C295-M299 HydrophobicContact CB-SD 3.81Å
296N96.8Very high96.2Very high6 Ų641.1 Ų41.13%0.03222%0.221CC..  trans-129177.9173.163.726.5000110.7D227 V298 M299 V300D227-N296 VanDerWaalsContact OD1-CB 3.23Å; D227-N296 WeakPolarHBondContact OD1-CB 3.2Å; N296-V298 PolarHBondContact O-N 3.11Å; N296-V298 WeakPolarHBondContact OD1-CB 3.34Å; N296-V298 PolarHBondContact OD1-N 3.17Å; N296-M299 PolarHBondContact O-N 3.23Å; N296-M299 PolarHBondContact OD1-N 3.24Å; N296-M299 VanDerWaalsContact OD1-N 3.09Å; N296-V300 PolarHBondContact O-N 2.63Å
297S98Very high96.1Very high7 Ų735.4 Ų35.45%0.04920%0.196CC..Hα-helixtrans-62.9-31-176.8-43.50000112.8I229 M299 V300 D301I229-S297 WeakPolarHBondContact O-CB 3.46Å; I229-S297 PolarHBondContact O-OG 3.17Å; S297-M299 VanDerWaalsContact C-N 3.33Å; S297-M299 PolarHBondContact O-N 2.89Å; S297-V300 PolarHBondContact O-N 2.92Å; S297-D301 WeakPolarHBondContact O-CB 3.14Å; S297-D301 PolarHBondContact O-N 3.01Å
298V97.6Very high96Very high0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-64-39.2178.5178.20000111.1W212 Y213 I229 F232 N296 N302W212-V298 HydrophobicContact CE3-CG1 4.03Å; W212-V298 HydrophobicContact CZ3-CG1 4.34Å; Y213-V298 HydrophobicContact CD2-CG1 3.85Å; Y213-V298 HydrophobicContact CE2-CG1 3.35Å; Y213-V298 PolarHBondContact OH-O 2.93Å; I229-V298 HydrophobicContact CB-CG2 3.93Å; I229-V298 HydrophobicContact CG2-CG2 3.49Å; I229-V298 VanDerWaalsContact CG2-CG2 3.49Å; F232-V298 HydrophobicContact CE1-CG2 4.42Å; F232-V298 HydrophobicContact CZ-CB 4.38Å; F232-V298 HydrophobicContact CZ-CG1 4.14Å; F232-V298 HydrophobicContact CZ-CG2 4.01Å; N296-V298 PolarHBondContact O-N 3.11Å; N296-V298 WeakPolarHBondContact OD1-CB 3.34Å; N296-V298 PolarHBondContact OD1-N 3.17Å; V298-N302 VanDerWaalsContact O-CB 3.32Å; V298-N302 WeakPolarHBondContact O-CB 3.3Å; V298-N302 PolarHBondContact O-N 3.42Å; V298-N302 VanDerWaalsContact O-N 3.15Å
299M96.6Very high95.9Very high26 Ų2640.3 Ų40.313%0.12821%0.213CC..Hα-helixtrans-66.9-48.4173.9-66-179.4-175.700112.9F41 T43 W212 Y213 C295 N296 S297 N302 F303F41-M299 HydrophobicContact CB-SD 4.49Å; F41-M299 HydrophobicContact CD2-CB 4.2Å; F41-M299 HydrophobicContact CD2-SD 4.37Å; F41-M299 HydrophobicContact CG-CB 4.35Å; T43-M299 HydrophobicContact CG2-CE 4.34Å; W212-M299 HydrophobicContact CH2-CE 3.41Å; W212-M299 VanDerWaalsContact CH2-CE 3.41Å; W212-M299 HydrophobicContact CH2-CG 4.25Å; W212-M299 HydrophobicContact CZ2-CE 4.08Å; W212-M299 HydrophobicContact CZ3-CE 4.37Å; W212-M299 HydrophobicContact CZ3-CG 4.34Å; Y213-M299 VanDerWaalsContact OH-CA 3.26Å; Y213-M299 WeakPolarHBondContact OH-CA 3.24Å; C295-M299 HydrophobicContact CB-CB 4.36Å; C295-M299 HydrophobicContact CB-SD 3.81Å; N296-M299 PolarHBondContact O-N 3.23Å; N296-M299 PolarHBondContact OD1-N 3.24Å; N296-M299 VanDerWaalsContact OD1-N 3.09Å; S297-M299 VanDerWaalsContact C-N 3.33Å; S297-M299 PolarHBondContact O-N 2.89Å; M299-N302 PolarHBondContact O-N 3.15Å; M299-F303 PolarHBondContact O-N 2.89Å
300V97.2Very high95.8Very high2 Ų241.8 Ų41.81%0.01223%0.228CC..Hα-helixtrans-67.1-39.7-178.1176.70000111.3F41 V281 I284 V285 L288 N296 S297 F303 L304F41-V300 HydrophobicContact CE2-CG2 4.2Å; F41-V300 HydrophobicContact CZ-CG2 3.97Å; V281-V300 HydrophobicContact CG1-CB 4.02Å; V281-V300 HydrophobicContact CG1-CG1 3.87Å; V281-V300 HydrophobicContact CG2-CG1 4.45Å; I284-V300 HydrophobicContact CB-CG1 4.37Å; I284-V300 HydrophobicContact CG2-CG1 3.79Å; I284-V300 HydrophobicContact CG2-CG2 4.29Å; V285-V300 HydrophobicContact CG2-CB 4.14Å; V285-V300 HydrophobicContact CG2-CG2 3.57Å; L288-V300 HydrophobicContact CD1-CG2 4.01Å; N296-V300 PolarHBondContact O-N 2.63Å; S297-V300 PolarHBondContact O-N 2.92Å; V300-F303 WeakPolarHBondContact O-CB 3.01Å; V300-F303 PolarHBondContact O-N 3.18Å; V300-L304 HydrophobicContact CG1-CD1 4.11Å; V300-L304 HydrophobicContact CG1-CG 4.47Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 3.41Å
301D97.6Very high95.8Very high6 Ų640.1 Ų40.13%0.03221%0.21CC..Hα-helixtrans-62.1-48.3175.6-169.8-79.9000111.5F232 S297 F303 L304 W305F232-D301 HydrophobicContact CD2-CB 4.29Å; F232-D301 WeakPolarHBondContact CD2-OD1 3.36Å; F232-D301 HydrophobicContact CE2-CB 4.5Å; F232-D301 PolarHBondContact N-OD2 2.99Å; S297-D301 WeakPolarHBondContact O-CB 3.14Å; S297-D301 PolarHBondContact O-N 3.01Å; D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.29Å; D301-L304 PolarHBondContact O-N 2.96Å; D301-L304 VanDerWaalsContact O-N 3.1Å; D301-W305 WeakPolarHBondContact O-CB 3.45Å; D301-W305 PolarHBondContact O-N 2.84Å
302N95.8Very high95.8Very high21 Ų2136.9 Ų36.911%0.11220%0.202CC..Hα-helixtrans-57.9-41.5176.3-177.9-87.4000112.1S45 Y213 V298 M299 N306S45-N302 PolarHBondContact OG-OD1 2.96Å; Y213-N302 HydrophobicContact CE2-CB 3.99Å; Y213-N302 VanDerWaalsContact OH-CB 3.25Å; Y213-N302 WeakPolarHBondContact OH-CB 3.42Å; V298-N302 VanDerWaalsContact O-CB 3.32Å; V298-N302 WeakPolarHBondContact O-CB 3.3Å; V298-N302 PolarHBondContact O-N 3.42Å; V298-N302 VanDerWaalsContact O-N 3.15Å; M299-N302 PolarHBondContact O-N 3.15Å; N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 2.71Å; N302-N306 PolarHBondContact O-ND2 3.38Å; N302-N306 PolarHBondContact OD1-ND2 3.47Å
303F95.5Very high95.9Very high17 Ų1736.4 Ų36.48%0.07520%0.199CC..Hα-helixtrans-59.7-51.6173159.2-103.2000111.7V34 Y38 F41 M299 V300 D301 W305 N306 Y307V34-F303 HydrophobicContact CG2-CD1 4.23Å; V34-F303 HydrophobicContact CG2-CE1 3.52Å; V34-F303 HydrophobicContact CG2-CZ 3.76Å; Y38-F303 HydrophobicContact CD1-CD2 4.12Å; Y38-F303 AromaticContact CD1-CE2 3.6Å; Y38-F303 HydrophobicContact CD1-CE2 3.6Å; Y38-F303 AromaticContact CD2-CE2 3.58Å; Y38-F303 HydrophobicContact CD2-CE2 3.58Å; Y38-F303 AromaticContact CD2-CZ 3.89Å; Y38-F303 HydrophobicContact CD2-CZ 3.89Å; Y38-F303 AromaticContact CE1-CE2 3.93Å; Y38-F303 HydrophobicContact CE1-CE2 3.93Å; Y38-F303 AromaticContact CE2-CE2 3.91Å; Y38-F303 HydrophobicContact CE2-CE2 3.91Å; Y38-F303 HydrophobicContact CE2-CZ 4.15Å; Y38-F303 HydrophobicContact CG-CD2 4.07Å; Y38-F303 AromaticContact CG-CE2 3.41Å; Y38-F303 HydrophobicContact CG-CE2 3.41Å; Y38-F303 VanDerWaalsContact CG-CE2 3.41Å; Y38-F303 HydrophobicContact CG-CZ 4.16Å; F41-F303 HydrophobicContact CD1-CB 4.03Å; F41-F303 HydrophobicContact CE1-CB 3.67Å; F41-F303 HydrophobicContact CE1-CD1 4.32Å; F41-F303 HydrophobicContact CE1-CD2 4.43Å; F41-F303 AromaticContact CE1-CG 3.87Å; F41-F303 HydrophobicContact CE1-CG 3.87Å; M299-F303 PolarHBondContact O-N 2.89Å; V300-F303 WeakPolarHBondContact O-CB 3.01Å; V300-F303 PolarHBondContact O-N 3.18Å; D301-F303 VanDerWaalsContact C-N 3.29Å; D301-F303 PolarHBondContact O-N 3.29Å; F303-W305 VanDerWaalsContact C-N 3.32Å; F303-W305 PolarHBondContact O-N 3.17Å; F303-N306 PolarHBondContact O-N 3.18Å; F303-Y307 HydrophobicContact CE2-CD2 4.1Å; F303-Y307 HydrophobicContact CZ-CD2 4.01Å; F303-Y307 HydrophobicContact CZ-CG 4.47Å; F303-Y307 WeakPolarHBondContact O-CB 3.18Å; F303-Y307 PolarHBondContact O-N 2.99Å
304L97.1Very high96.1Very high1 Ų139.3 Ų39.31%0.00521%0.212CC..Hα-helixtrans-61.7-41.2-178.8-69.5170.2000111.5L30 V237 V240 L241 V281 V300 D301 Y307 R308L30-L304 HydrophobicContact CD2-CD2 4.45Å; V237-L304 HydrophobicContact CG1-CB 4.26Å; V237-L304 HydrophobicContact CG1-CD1 3.87Å; V240-L304 HydrophobicContact CB-CD2 4.47Å; V240-L304 HydrophobicContact CG1-CD2 3.74Å; L241-L304 HydrophobicContact CD2-CD1 3.91Å; L241-L304 HydrophobicContact CD2-CD2 4.42Å; L241-L304 HydrophobicContact CG-CD1 4.24Å; V281-L304 HydrophobicContact CG2-CD1 3.74Å; V300-L304 HydrophobicContact CG1-CD1 4.11Å; V300-L304 HydrophobicContact CG1-CG 4.47Å; V300-L304 WeakPolarHBondContact O-CG 3.42Å; V300-L304 PolarHBondContact O-N 3.41Å; D301-L304 PolarHBondContact O-N 2.96Å; D301-L304 VanDerWaalsContact O-N 3.1Å; L304-Y307 PolarHBondContact O-N 2.94Å; L304-R308 PolarHBondContact O-N 3.07Å
305W95.8Very high96.3Very high46 Ų4634.1 Ų34.117%0.17418%0.176CC..Hα-helixtrans-64.3-44.2177.3-171.689.7000112Y94 W95 D301 F303 R308 R309Y94-W305 HydrophobicContact CD1-CH2 4.23Å; Y94-W305 HydrophobicContact CD1-CZ2 4.13Å; W95-W305 AromaticContact CE2-CH2 3.67Å; W95-W305 HydrophobicContact CH2-CH2 4.47Å; W95-W305 AromaticContact CZ2-CH2 3.63Å; W95-W305 HydrophobicContact CZ2-CH2 3.63Å; W95-W305 AromaticContact CZ2-CZ3 3.87Å; W95-W305 HydrophobicContact CZ2-CZ3 3.87Å; W95-W305 AromaticContact NE1-CH2 3.81Å; D301-W305 WeakPolarHBondContact O-CB 3.45Å; D301-W305 PolarHBondContact O-N 2.84Å; F303-W305 VanDerWaalsContact C-N 3.32Å; F303-W305 PolarHBondContact O-N 3.17Å; W305-R308 WeakPolarHBondContact O-CB 3.26Å; W305-R308 PolarHBondContact O-N 3.39Å; W305-R309 VanDerWaalsContact CH2-CD 3.49Å; W305-R309 VanDerWaalsContact CH2-NH1 3.32Å; W305-R309 WeakPolarHBondContact O-CG 3.5Å; W305-R309 PolarHBondContact O-N 3.12Å
306N94.6Very high96.3Very high35 Ų3537 Ų3719%0.18719%0.191CC..Hα-helixtrans-66.1-41.8174.6-79-46.3000112N302 F303 R308 R309 S310N302-N306 WeakPolarHBondContact O-CB 3.38Å; N302-N306 PolarHBondContact O-N 2.71Å; N302-N306 PolarHBondContact O-ND2 3.38Å; N302-N306 PolarHBondContact OD1-ND2 3.47Å; F303-N306 PolarHBondContact O-N 3.18Å; N306-R308 VanDerWaalsContact C-N 3.28Å; N306-R308 PolarHBondContact O-N 3.47Å; N306-R309 WeakPolarHBondContact O-CB 3.43Å; N306-R309 PolarHBondContact O-N 3.4Å; N306-S310 PolarHBondContact O-N 2.99Å; N306-S310 PolarHBondContact O-OG 3.36Å
307Y95.9Very high96.2Very high23 Ų2340.9 Ų40.99%0.0922%0.224CC..Hα-helixtrans-57-44.8175.3-171.2-80.6000110.8Y38 V240 Y243 F244 F303 L304 R309 S310 H311 I315Y38-Y307 HydrophobicContact CE2-CE2 4.46Å; V240-Y307 HydrophobicContact CG1-CD1 4.01Å; Y243-Y307 HydrophobicContact CE1-CE1 4.49Å; F244-Y307 HydrophobicContact CE2-CD1 4.08Å; F244-Y307 AromaticContact CE2-CE1 3.86Å; F244-Y307 HydrophobicContact CE2-CE1 3.86Å; F244-Y307 HydrophobicContact CZ-CD1 4.11Å; F244-Y307 AromaticContact CZ-CE1 3.48Å; F244-Y307 HydrophobicContact CZ-CE1 3.48Å; F244-Y307 VanDerWaalsContact CZ-CE1 3.48Å; F244-Y307 HydrophobicContact CZ-CE2 4.02Å; F244-Y307 AromaticContact CZ-CZ 3.44Å; F244-Y307 VanDerWaalsContact CZ-CZ 3.44Å; F303-Y307 HydrophobicContact CE2-CD2 4.1Å; F303-Y307 HydrophobicContact CZ-CD2 4.01Å; F303-Y307 HydrophobicContact CZ-CG 4.47Å; F303-Y307 WeakPolarHBondContact O-CB 3.18Å; F303-Y307 PolarHBondContact O-N 2.99Å; L304-Y307 PolarHBondContact O-N 2.94Å; Y307-R309 PolarHBondContact O-N 3.02Å; Y307-S310 PolarHBondContact O-N 3.49Å; Y307-H311 HydrophobicContact CD1-CB 4.49Å; Y307-H311 AromaticContact CD1-ND1 3.67Å; Y307-H311 AromaticContact CD2-CE1 3.71Å; Y307-H311 AromaticContact CD2-ND1 3.77Å; Y307-H311 HydrophobicContact CE1-CB 4.06Å; Y307-H311 AromaticContact CE1-CG 3.77Å; Y307-H311 AromaticContact CE1-ND1 3.52Å; Y307-H311 AromaticContact CE2-CE1 3.4Å; Y307-H311 VanDerWaalsContact CE2-CE1 3.4Å; Y307-H311 WeakPolarHBondContact CE2-CE1 3.41Å; Y307-H311 AromaticContact CE2-ND1 3.66Å; Y307-H311 AromaticContact CG-ND1 3.76Å; Y307-H311 AromaticContact CZ-CE1 3.59Å; Y307-H311 AromaticContact CZ-CG 3.83Å; Y307-H311 AromaticContact CZ-ND1 3.5Å; Y307-H311 AromaticContact CZ-NE2 3.96Å; Y307-H311 PolarHBondContact O-N 3.44Å; Y307-H311 VanDerWaalsContact O-N 3.09Å; Y307-H311 PolarHBondContact O-ND1 3.37Å; Y307-I315 HydrophobicContact CD1-CD1 4.05Å; Y307-I315 HydrophobicContact CE1-CD1 4.07Å
308R96.2Very high96Very high12 Ų1246 Ų465%0.04525%0.245CC..Hα-helixtrans-53.8-45175.8-178.545.6-164.371-9.6111.5R236 V240 L304 W305 N306 H311 A312 D316R236-R308 HydrophobicContact CB-CG 4.17Å; R236-R308 HydrophobicContact CG-CG 4.49Å; V240-R308 HydrophobicContact CG2-CB 3.42Å; V240-R308 VanDerWaalsContact CG2-CB 3.42Å; V240-R308 HydrophobicContact CG2-CG 3.99Å; L304-R308 PolarHBondContact O-N 3.07Å; W305-R308 WeakPolarHBondContact O-CB 3.26Å; W305-R308 PolarHBondContact O-N 3.39Å; N306-R308 VanDerWaalsContact C-N 3.28Å; N306-R308 PolarHBondContact O-N 3.47Å; R308-H311 CarbonylContact O-C 3.5Å; R308-A312 WeakPolarHBondContact O-CA 3.35Å; R308-A312 PolarHBondContact O-N 3.02Å; R308-D316 IonicContact CZ-OD1 3.68Å; R308-D316 IonicContact CZ-OD2 3.77Å; R308-D316 IonicContact NH2-OD1 3.71Å; R308-D316 PolarHBondContact NH2-OD1 3.34Å; R308-D316 IonicContact NH2-OD2 3.9Å; R308-D316 PolarHBondContact NH2-OD2 3.39Å
309R93.9Very high95.9Very high100 Ų10046 Ų4638%0.37725%0.245SC..Hα-helixtrans-70.1-42.7-176.1-66.6-179.866.499.720.1112.1W305 N306 Y307 H311W305-R309 VanDerWaalsContact CH2-CD 3.49Å; W305-R309 VanDerWaalsContact CH2-NH1 3.32Å; W305-R309 WeakPolarHBondContact O-CG 3.5Å; W305-R309 PolarHBondContact O-N 3.12Å; N306-R309 WeakPolarHBondContact O-CB 3.43Å; N306-R309 PolarHBondContact O-N 3.4Å; Y307-R309 PolarHBondContact O-N 3.02Å; R309-H311 PolarHBondContact O-N 3.37Å
310S95.1Very high95.8Very high98 Ų9846.7 Ų46.769%0.68525%0.252SS*.Hα-helixtrans-68.8-22.9179.6-61.70000113.5N306 Y307N306-S310 PolarHBondContact O-N 2.99Å; N306-S310 PolarHBondContact O-OG 3.36Å; Y307-S310 PolarHBondContact O-N 3.49Å
311H96.9Very high95.8Very high52 Ų5247.8 Ų47.824%0.24126%0.257CS..THydrogen-bonded Turntrans-120.534.5-177.2-5485.7000112.1Y307 R308 R309 D313 E314 I315Y307-H311 HydrophobicContact CD1-CB 4.49Å; Y307-H311 AromaticContact CD1-ND1 3.67Å; Y307-H311 AromaticContact CD2-CE1 3.71Å; Y307-H311 AromaticContact CD2-ND1 3.77Å; Y307-H311 HydrophobicContact CE1-CB 4.06Å; Y307-H311 AromaticContact CE1-CG 3.77Å; Y307-H311 AromaticContact CE1-ND1 3.52Å; Y307-H311 AromaticContact CE2-CE1 3.4Å; Y307-H311 VanDerWaalsContact CE2-CE1 3.4Å; Y307-H311 WeakPolarHBondContact CE2-CE1 3.41Å; Y307-H311 AromaticContact CE2-ND1 3.66Å; Y307-H311 AromaticContact CG-ND1 3.76Å; Y307-H311 AromaticContact CZ-CE1 3.59Å; Y307-H311 AromaticContact CZ-CG 3.83Å; Y307-H311 AromaticContact CZ-ND1 3.5Å; Y307-H311 AromaticContact CZ-NE2 3.96Å; Y307-H311 PolarHBondContact O-N 3.44Å; Y307-H311 VanDerWaalsContact O-N 3.09Å; Y307-H311 PolarHBondContact O-ND1 3.37Å; R308-H311 CarbonylContact O-C 3.5Å; R309-H311 PolarHBondContact O-N 3.37Å; H311-D313 PolarHBondContact O-N 3.17Å; H311-E314 PolarHBondContact O-N 3.14Å; H311-I315 HydrophobicContact CB-CD1 3.86Å; H311-I315 HydrophobicContact CB-CG1 4.23Å; H311-I315 WeakPolarHBondContact O-CB 3.31Å; H311-I315 VanDerWaalsContact O-CG1 3.32Å; H311-I315 WeakPolarHBondContact O-CG1 3.45Å; H311-I315 PolarHBondContact O-N 2.92Å
312A95.8Very high95.8Very high28 Ų2847.7 Ų47.723%0.23126%0.256CS..Hα-helixtrans-58.6-51.5-169.400000114R308 E314 I315 D316R308-A312 WeakPolarHBondContact O-CA 3.35Å; R308-A312 PolarHBondContact O-N 3.02Å; A312-E314 VanDerWaalsContact C-N 3.32Å; A312-E314 PolarHBondContact O-N 3.06Å; A312-I315 PolarHBondContact O-N 3.29Å; A312-D316 WeakPolarHBondContact O-CB 3.32Å; A312-D316 PolarHBondContact O-N 2.93Å
313D95.6Very high95.8Very high145 Ų14550.2 Ų50.278%0.77526%0.264SS*.Hα-helixtrans-63.2-40.9-177.7-60.9-21.5000111.5H311 A317H311-D313 PolarHBondContact O-N 3.17Å; D313-A317 VanDerWaalsContact O-CB 3.27Å; D313-A317 WeakPolarHBondContact O-CB 3.4Å; D313-A317 PolarHBondContact O-N 2.87Å; D313-A317 VanDerWaalsContact O-N 3.12Å
314E97.2Very high95.9Very high85 Ų8549.4 Ų49.440%0.39726%0.261SS..Hα-helixtrans-66.2-43.5179.2-170.3-17016400112Y243 H311 A312 K318Y243-E314 HydrophobicContact CE2-CG 4.18Å; Y243-E314 PolarHBondContact OH-OE1 3.43Å; H311-E314 PolarHBondContact O-N 3.14Å; A312-E314 VanDerWaalsContact C-N 3.32Å; A312-E314 PolarHBondContact O-N 3.06Å; E314-K318 IonicContact OE1-NZ 3.44Å
315I97.7Very high96Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-71.4-47-178.4-68165.6000110.6Q239 V240 Y243 Y307 H311 A312 A317 K318 I319Q239-I315 HydrophobicContact CG-CG2 3.8Å; V240-I315 HydrophobicContact CG2-CD1 4.2Å; Y243-I315 HydrophobicContact CD1-CG1 4.3Å; Y243-I315 HydrophobicContact CD2-CB 4.23Å; Y243-I315 HydrophobicContact CD2-CG1 3.71Å; Y243-I315 HydrophobicContact CD2-CG2 4.44Å; Y243-I315 HydrophobicContact CE2-CG1 4.04Å; Y243-I315 HydrophobicContact CG-CG1 3.87Å; Y307-I315 HydrophobicContact CD1-CD1 4.05Å; Y307-I315 HydrophobicContact CE1-CD1 4.07Å; H311-I315 HydrophobicContact CB-CD1 3.86Å; H311-I315 HydrophobicContact CB-CG1 4.23Å; H311-I315 WeakPolarHBondContact O-CB 3.31Å; H311-I315 VanDerWaalsContact O-CG1 3.32Å; H311-I315 WeakPolarHBondContact O-CG1 3.45Å; H311-I315 PolarHBondContact O-N 2.92Å; A312-I315 PolarHBondContact O-N 3.29Å; I315-A317 PolarHBondContact O-N 3.41Å; I315-K318 PolarHBondContact O-N 3.28Å; I315-I319 PolarHBondContact O-N 3.05Å; I315-I319 VanDerWaalsContact O-O 3.13Å
316D95.1Very high96.1Very high67 Ų6750.4 Ų50.436%0.35827%0.266SS..Hα-helixtrans-62.4-31.3179.5-76.9-24.5000112.1R236 Q239 R308 A312 K318R236-D316 IonicContact NH1-OD1 3.12Å; Q239-D316 PolarHBondContact NE2-OD1 2.97Å; R308-D316 IonicContact CZ-OD1 3.68Å; R308-D316 IonicContact CZ-OD2 3.77Å; R308-D316 IonicContact NH2-OD1 3.71Å; R308-D316 PolarHBondContact NH2-OD1 3.34Å; R308-D316 IonicContact NH2-OD2 3.9Å; R308-D316 PolarHBondContact NH2-OD2 3.39Å; A312-D316 WeakPolarHBondContact O-CB 3.32Å; A312-D316 PolarHBondContact O-N 2.93Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 3.47Å
317A94.7Very high96.3Very high87 Ų8751.1 Ų51.172%0.71927%0.269SS*.Hα-helixtrans-67.1-27.7174.900000113.4D313 I315D313-A317 VanDerWaalsContact O-CB 3.27Å; D313-A317 WeakPolarHBondContact O-CB 3.4Å; D313-A317 PolarHBondContact O-N 2.87Å; D313-A317 VanDerWaalsContact O-N 3.12Å; I315-A317 PolarHBondContact O-N 3.41Å
318K94.2Very high96.4Very high114 Ų11452.3 Ų52.350%0.49627%0.274SS..Hα-helixtrans-90.9-44.9178.1-67.7-165-166.1163.70112.8Y243 H258 E314 I315 D316Y243-K318 HydrophobicContact CD2-CB 4.24Å; Y243-K318 HydrophobicContact CD2-CD 3.7Å; Y243-K318 HydrophobicContact CD2-CG 4.32Å; Y243-K318 HydrophobicContact CE2-CD 3.52Å; Y243-K318 HydrophobicContact CE2-CG 4.28Å; Y243-K318 VanDerWaalsContact CE2-NZ 3.26Å; Y243-K318 PolarHBondContact OH-NZ 3.39Å; H258-K318 PolarHBondContact CE1-O 2.94Å; E314-K318 IonicContact OE1-NZ 3.44Å; I315-K318 PolarHBondContact O-N 3.28Å; D316-K318 VanDerWaalsContact C-N 3.3Å; D316-K318 PolarHBondContact O-N 3.47Å
319I94.5Very high96.4Very high2 Ų251.9 Ų51.91%0.0127%0.272CS..  trans-150120.6-176.9-17570.2000109.2Q239 H242 I257 I315Q239-I319 HydrophobicContact CG-CG2 4.03Å; Q239-I319 PolarHBondContact NE2-O 3.27Å; H242-I319 VanDerWaalsContact CD2-CG1 3.46Å; H242-I319 WeakPolarHBondContact CD2-CG1 3.42Å; I257-I319 HydrophobicContact CG2-CD1 3.94Å; I257-I319 HydrophobicContact CG2-CG1 4.46Å; I315-I319 PolarHBondContact O-N 3.05Å; I315-I319 VanDerWaalsContact O-O 3.13Å
320P95.6Very high96.6Very high40 Ų4049.5 Ų49.526%0.2627%0.267SS..PPolyproline II helixtrans-71.7161.8171.127.2-30.2000111.1I257I257-P320 HydrophobicContact CG2-CG 3.85Å; I257-P320 WeakPolarHBondContact CG2-O 3.47Å; I257-P320 WeakPolarHBondContact O-CG 3.27Å
321M96.1Very high96.6Very high24 Ų2446.9 Ų46.912%0.11824%0.244CC..PPolyproline II helixtrans-66.2148.9172.869.1-167.1176.500110.9W75 Y235W75-M321 HydrophobicContact CB-CE 3.26Å; W75-M321 HydrophobicContact CB-SD 4.31Å; W75-M321 HydrophobicContact CD2-CE 4.46Å; W75-M321 HydrophobicContact CG-CE 3.81Å; Y235-M321 HydrophobicContact CD2-CB 4.06Å; Y235-M321 HydrophobicContact CD2-CG 4.13Å; Y235-M321 HydrophobicContact CD2-SD 3.4Å; Y235-M321 WeakPolarHBondContact CD2-SD 3.43Å; Y235-M321 HydrophobicContact CE2-SD 3.58Å; Y235-M321 VanDerWaalsContact CE2-SD 3.58Å; Y235-M321 HydrophobicContact CG-SD 4.37Å; Y235-M321 WeakPolarHBondContact O-CB 3.49Å
322H97.6Very high96.6Very high4 Ų446.6 Ų46.62%0.01925%0.245CC..PPolyproline II helixtrans-68.3145.416775.8-88.3000110D234 Y235 I257 I263 I273 T324 Y329D234-H322 PolarHBondContact O-CE1 2.92Å; D234-H322 VanDerWaalsContact O-CE1 3.31Å; Y235-H322 VanDerWaalsContact CA-CE1 3.43Å; Y235-H322 WeakPolarHBondContact CA-CE1 3.43Å; Y235-H322 WeakPolarHBondContact CB-O 3.43Å; I257-H322 HydrophobicContact CD1-CB 4.03Å; I257-H322 HydrophobicContact CG1-CB 4.06Å; I263-H322 HydrophobicContact CD1-CB 4.06Å; I273-H322 HydrophobicContact CD1-CB 4.13Å; H322-T324 PolarHBondContact CD2-OG1 3.44Å; H322-Y329 AromaticContact NE2-CE2 3.65Å; H322-Y329 AromaticContact NE2-CZ 3.88Å; H322-Y329 PolarHBondContact NE2-OH 3.4Å
323R97.2Very high96.7Very high75 Ų7547.7 Ų47.728%0.28325%0.245SC..BIsolated β-bridgetrans-107.894.8-177.5-70.3-177.4177.7-167.7-3.1110.2W75 E262 I263W75-R323 HydrophobicContact CD2-CG 4.43Å; W75-R323 HydrophobicContact CE3-CG 4.17Å; W75-R323 HydrophobicContact CH2-CB 3.85Å; W75-R323 HydrophobicContact CH2-CG 4.34Å; W75-R323 HydrophobicContact CZ2-CB 3.98Å; W75-R323 HydrophobicContact CZ3-CB 4.13Å; W75-R323 HydrophobicContact CZ3-CG 4.12Å; E262-R323 CarbonylContact C-O 3.6Å; E262-R323 VanDerWaalsContact CA-O 3.24Å; E262-R323 WeakPolarHBondContact CA-O 3.36Å; E262-R323 HydrophobicContact CG-CB 4.32Å; I263-R323 PolarHBondContact N-O 3.04Å
324T98.2Very high96.7Very high0 Ų041.6 Ų41.60%021%0.212CC..  trans-113.1120.9169-65.70000109.1W75 I263 N265 E270 H322 C326 Y329W75-T324 PolarHBondContact NE1-O 2.72Å; I263-T324 WeakPolarHBondContact O-CA 3.5Å; I263-T324 WeakPolarHBondContact O-CB 3.4Å; I263-T324 WeakPolarHBondContact O-CG2 3.38Å; I263-T324 PolarHBondContact O-OG1 2.92Å; N265-T324 HydrophobicContact CB-CG2 3.78Å; E270-T324 HydrophobicContact CG-CG2 3.97Å; H322-T324 PolarHBondContact CD2-OG1 3.44Å; T324-C326 HydrophobicContact CG2-CB 4.37Å; T324-Y329 WeakPolarHBondContact CB-OH 3.35Å; T324-Y329 HydrophobicContact CG2-CE1 4.46Å; T324-Y329 WeakPolarHBondContact CG2-OH 2.81Å; T324-Y329 PolarHBondContact OG1-OH 3Å
325R97.9Very high96.7Very high58 Ų5838.7 Ų38.722%0.21920%0.2CC..  trans-89.4113175.9-17562.860.6179.62.4108.5S73 W75 L139S73-R325 PolarHBondContact O-NH1 2.96Å; W75-R325 HydrophobicContact CH2-CB 4.35Å; W75-R325 HydrophobicContact CZ2-CB 3.93Å; W75-R325 PolarHBondContact O-NH1 2.95Å; W75-R325 VanDerWaalsContact O-NH1 3.11Å; W75-R325 PolarHBondContact O-NH2 3.41Å; L139-R325 HydrophobicContact CD1-CG 4.31Å; L139-R325 HydrophobicContact CD2-CG 4.07Å; L139-R325 HydrophobicContact CG-CG 4.49Å
326C98.1Very high96.6Very high10 Ų1041.5 Ų41.57%0.06821%0.214CC..  trans-157170.517872.10000111.4S73 L139 N265 T324 Y328 Y329S73-C326 WeakPolarHBondContact CB-O 3.36Å; S73-C326 PolarHBondContact OG-N 3.17Å; S73-C326 PolarHBondContact OG-O 3.12Å; L139-C326 VanDerWaalsContact CD1-O 3.32Å; L139-C326 WeakPolarHBondContact CD1-O 3.38Å; N265-C326 HydrophobicContact CB-CB 3.91Å; N265-C326 VanDerWaalsContact OD1-CB 3.25Å; N265-C326 WeakPolarHBondContact OD1-CB 3.42Å; T324-C326 HydrophobicContact CG2-CB 4.37Å; C326-Y328 VanDerWaalsContact C-N 3.31Å; C326-Y328 HydrophobicContact CB-CD2 4.29Å; C326-Y328 PolarHBondContact SG-N 3.06Å; C326-Y329 WeakPolarHBondContact SG-CD1 3.43Å; C326-Y329 WeakPolarHBondContact SG-CE1 3.42Å
327I98.2Very high96.7Very high49 Ų4939.5 Ų39.525%0.25120%0.203SC..SBendtrans-82.9-7.3173.465.1169.8000112.8F72 L139 E142 R203F72-I327 WeakPolarHBondContact CB-O 3.23Å; F72-I327 WeakPolarHBondContact CD1-O 3.48Å; F72-I327 HydrophobicContact CD2-CB 4.25Å; F72-I327 HydrophobicContact CD2-CG2 4.46Å; F72-I327 HydrophobicContact CE2-CB 4.16Å; F72-I327 HydrophobicContact CE2-CG2 4.02Å; F72-I327 WeakPolarHBondContact CG-O 3.48Å; F72-I327 HydrophobicContact CZ-CB 4.48Å; F72-I327 HydrophobicContact CZ-CG2 4.47Å; L139-I327 HydrophobicContact CD1-CG2 4.44Å; E142-I327 HydrophobicContact CB-CG2 3.73Å; E142-I327 HydrophobicContact CG-CG2 3.74Å; R203-I327 PolarHBondContact NE-O 2.95Å; R203-I327 VanDerWaalsContact NE-O 3.16Å; R203-I327 PolarHBondContact NH1-O 3.3Å; R203-I327 PolarHBondContact NH2-O 2.95Å
328Y98.3Very high96.9Very high49 Ų4935.6 Ų35.619%0.19216%0.16CC..  trans-93.8-20.7-164.5-57.7-61.8000115.4S186 R188 D189 R203 C326S186-Y328 WeakPolarHBondContact O-CE1 3.42Å; R188-Y328 WeakPolarHBondContact O-CE1 3.39Å; D189-Y328 HydrophobicContact CB-CD1 3.67Å; D189-Y328 HydrophobicContact CB-CE1 4.4Å; D189-Y328 HydrophobicContact CB-CG 3.86Å; R203-Y328 WeakPolarHBondContact CG-O 3.4Å; C326-Y328 VanDerWaalsContact C-N 3.31Å; C326-Y328 HydrophobicContact CB-CD2 4.29Å; C326-Y328 PolarHBondContact SG-N 3.06Å
329Y97.3Very high97.2Very high2 Ų228.5 Ų28.51%0.00813%0.13CC..  trans-159.8017761.5-86.4000113.4F72 S73 D234 Y235 E270 R274 H322 T324 C326F72-Y329 CarbonylContact C-O 3.19Å; F72-Y329 VanDerWaalsContact CA-C 3.41Å; F72-Y329 WeakPolarHBondContact CA-O 3.48Å; F72-Y329 WeakPolarHBondContact CA-OXT 3.42Å; S73-Y329 VanDerWaalsContact N-C 3.34Å; S73-Y329 PolarHBondContact N-O 2.86Å; S73-Y329 PolarHBondContact N-OXT 2.97Å; S73-Y329 PolarHBondContact OG-O 3.32Å; D234-Y329 HydrophobicContact CB-CD2 4.12Å; D234-Y329 HydrophobicContact CB-CG 4.5Å; Y235-Y329 AromaticContact CD1-CD2 3.91Å; Y235-Y329 HydrophobicContact CD1-CD2 3.91Å; Y235-Y329 HydrophobicContact CD1-CE2 4.21Å; E270-Y329 WeakPolarHBondContact CG-OH 3.46Å; E270-Y329 VanDerWaalsContact OE1-CE1 3.22Å; E270-Y329 WeakPolarHBondContact OE1-CE1 3.34Å; E270-Y329 PolarHBondContact OE1-OH 2.92Å; R274-Y329 VanDerWaalsContact CZ-CE1 3.4Å; H322-Y329 AromaticContact NE2-CE2 3.65Å; H322-Y329 AromaticContact NE2-CZ 3.88Å; H322-Y329 PolarHBondContact NE2-OH 3.4Å; T324-Y329 WeakPolarHBondContact CB-OH 3.35Å; T324-Y329 HydrophobicContact CG2-CE1 4.46Å; T324-Y329 WeakPolarHBondContact CG2-OH 2.81Å; T324-Y329 PolarHBondContact OG1-OH 3Å; C326-Y329 WeakPolarHBondContact SG-CD1 3.43Å; C326-Y329 WeakPolarHBondContact SG-CE1 3.42Å

Retrieved 329 of 329 residues in 133.5 ms (Link to these results)

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