A0A096MSY8_PAPAN Loading...

Saccharopine dehydrogenase-like oxidoreductase

AlphaFold DB (A0A5F8A5K9), UniProt , Accession A0A096MSY8, Species PAPAN (Papio anubis, Olive baboon), Gene SCCPDH, Length 421 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
1M36.8Very low74.2Confident218 Ų21896.2 Ų96.2100%1.07451%0.511SS*.  0136.20-70.3179.7-163.400107.3T3M1-T3 PolarHBondContact O-N 3.17Å
2A32.2Very low76.3Confident109 Ų10988.2 Ų88.290%0.90147%0.469SS*.  trans-54.8107.9-175.400000110.6E4A2-E4 PolarHBondContact O-N 2.98Å; A2-E4 VanDerWaalsContact O-N 3.17Å
3T40.4Very low78Confident126 Ų12681.8 Ų81.877%0.77343%0.434SS*.  trans-73.2100.216945.80000106.8M1 Q5M1-T3 PolarHBondContact O-N 3.17Å; T3-Q5 PolarHBondContact O-N 2.83Å; T3-Q5 VanDerWaalsContact O-N 3.1Å
4E57.1Low79.5Confident178 Ų17876.7 Ų76.783%0.83241%0.411SS*.  trans-48.9121145-77.5-173.2161.200105.8A2 R6A2-E4 PolarHBondContact O-N 2.98Å; A2-E4 VanDerWaalsContact O-N 3.17Å; E4-R6 PolarHBondContact O-N 3.1Å
5Q75.2Confident80.7Confident192 Ų19271.6 Ų71.690%0.89738%0.384SS*.  trans-65.799.3-170.7-152.7172.91800107.6T3T3-Q5 PolarHBondContact O-N 2.83Å; T3-Q5 VanDerWaalsContact O-N 3.1Å
6R90.6Very high81.7Confident68 Ų6869.7 Ų69.726%0.25738%0.378SS..  trans-62.7135.7-177.6-63.5-172.4-176.9-120.7-15.5108.8E4 F8 A89 A92 N116 G117E4-R6 PolarHBondContact O-N 3.1Å; R6-F8 PolarHBondContact O-N 2.77Å; R6-A89 PolarHBondContact NH1-O 3.03Å; R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.2Å; R6-A92 PolarHBondContact NH1-O 2.73Å; R6-N116 PolarHBondContact NH1-O 3.29Å; R6-N116 VanDerWaalsContact NH1-O 3.11Å; R6-N116 PolarHBondContact NH2-O 3.02Å; R6-G117 VanDerWaalsContact CZ-O 3.29Å; R6-G117 VanDerWaalsContact NH2-C 3.27Å; R6-G117 PolarHBondContact NH2-O 3.23Å
7P95Very high82.6Confident68 Ų6867.4 Ų67.444%0.44238%0.375SS..SBendtrans-64.7-27.5-175.625.5-34.8000112.5P41 Q91P7-P41 WeakPolarHBondContact O-CB 3.32Å; P7-Q91 WeakPolarHBondContact CD-O 3.35Å; P7-Q91 HydrophobicContact CG-CB 3.74Å; P7-Q91 HydrophobicContact CG-CG 3.91Å; P7-Q91 WeakPolarHBondContact CG-O 3.45Å
8F97.4Very high83.3Confident34 Ų3466.1 Ų66.115%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-125.6134.3-179.5-52.6-63.7000112.1R6 V11 P41 A43 I75 Q91 A92 T93R6-F8 PolarHBondContact O-N 2.77Å; F8-V11 HydrophobicContact CB-CG2 3.88Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; F8-P41 HydrophobicContact CD1-CB 4.4Å; F8-A43 HydrophobicContact CD1-CB 3.9Å; F8-A43 HydrophobicContact CD2-CB 3.87Å; F8-A43 HydrophobicContact CE1-CB 3.93Å; F8-A43 HydrophobicContact CE2-CB 3.91Å; F8-A43 HydrophobicContact CG-CB 3.88Å; F8-A43 HydrophobicContact CZ-CB 3.94Å; F8-I75 HydrophobicContact CD2-CD1 3.97Å; F8-I75 HydrophobicContact CE2-CD1 3.94Å; F8-I75 HydrophobicContact CE2-CG1 4.31Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.48Å; F8-Q91 PolarHBondContact N-O 2.96Å; F8-A92 CarbonylContact O-C 3.39Å; F8-A92 WeakPolarHBondContact O-CA 3.49Å; F8-T93 PolarHBondContact O-N 2.88Å; F8-T93 PolarHBondContact O-OG1 3.23Å
9H95.8Very high84Confident65 Ų6564.2 Ų64.230%0.30136%0.355SS..EExtended strand (participates in β ladder)trans-78.3-37.4169.1-67.681.5000110.7L40 P41 T93 V94 L386H9-L40 HydrophobicContact CB-CB 4.19Å; H9-L40 HydrophobicContact CB-CD1 4.41Å; H9-L40 HydrophobicContact CB-CD2 3.9Å; H9-L40 HydrophobicContact CB-CG 4.37Å; H9-L40 VanDerWaalsContact CG-CD2 3.48Å; H9-P41 PolarHBondContact N-O 3.37Å; H9-T93 WeakPolarHBondContact O-CB 3.27Å; H9-V94 PolarHBondContact O-N 3.05Å; H9-L386 HydrophobicContact CB-CD1 4.16Å
10L97.4Very high84.7Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-126.8136-179.5-61.3175.2000110.8V27 W42 A43 V94 A382 M383 L386L10-V27 HydrophobicContact CD1-CG1 4.17Å; L10-W42 HydrophobicContact CB-CB 3.9Å; L10-W42 CarbonylContact O-C 3.51Å; L10-W42 WeakPolarHBondContact O-CA 3.36Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.46Å; L10-A43 PolarHBondContact O-N 2.85Å; L10-V94 CarbonylContact C-O 3.49Å; L10-V94 WeakPolarHBondContact CA-O 3.15Å; L10-V94 HydrophobicContact CD2-CB 4.02Å; L10-A382 HydrophobicContact CD2-CB 3.85Å; L10-M383 HydrophobicContact CD1-SD 4.03Å; L10-L386 HydrophobicContact CD2-CD1 3.7Å; L10-L386 HydrophobicContact CG-CD1 4.06Å
11V98.8Very high85.3Confident0 Ų061 Ų610%034%0.335CS..EExtended strand (participates in β ladder)trans-127.5121.2167.7177.60000109.9F8 F13 A43 A45 I75 M88 A92 V94 V95 L96F8-V11 HydrophobicContact CB-CG2 3.88Å; F8-V11 HydrophobicContact CD2-CG2 4.29Å; F8-V11 HydrophobicContact CG-CG2 4.35Å; V11-F13 PolarHBondContact O-N 2.91Å; V11-A43 CarbonylContact C-O 3.38Å; V11-A43 WeakPolarHBondContact CA-O 3.28Å; V11-A43 HydrophobicContact CG2-CB 4.24Å; V11-A45 HydrophobicContact CG1-CB 3.65Å; V11-I75 HydrophobicContact CG1-CD1 4.17Å; V11-I75 HydrophobicContact CG2-CD1 4.05Å; V11-M88 HydrophobicContact CG1-CG 3.87Å; V11-M88 HydrophobicContact CG1-SD 3.94Å; V11-A92 HydrophobicContact CB-CB 4.01Å; V11-A92 HydrophobicContact CG2-CB 3.48Å; V11-A92 VanDerWaalsContact CG2-CB 3.48Å; V11-V94 PolarHBondContact N-O 3.39Å; V11-V95 CarbonylContact O-C 3.49Å; V11-V95 WeakPolarHBondContact O-CA 3.38Å; V11-L96 PolarHBondContact O-N 2.89Å
12V98.8Very high88.2Confident0 Ų052.1 Ų52.10%029%0.291CS..EExtended strand (participates in β ladder)trans-87.1101.7174.6-173.70000109.4A15 V23 V27 W42 A43 A45 L96V12-A15 HydrophobicContact CB-CB 4.27Å; V12-A15 HydrophobicContact CG1-CB 3.98Å; V12-A15 WeakPolarHBondContact O-CB 3.49Å; V12-V23 HydrophobicContact CG1-CB 4.3Å; V12-V23 HydrophobicContact CG1-CG1 3.91Å; V12-V23 HydrophobicContact CG2-CG1 4.26Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V12-W42 HydrophobicContact CG2-CE3 4.32Å; V12-W42 HydrophobicContact CG2-CZ3 4.18Å; V12-A43 PolarHBondContact N-O 2.96Å; V12-A45 PolarHBondContact O-N 3.25Å; V12-L96 HydrophobicContact CG2-CD1 4.3Å
13F98.8Very high91.4Very high5 Ų547 Ų472%0.02225%0.248CC..EExtended strand (participates in β ladder)trans-89.7129.2178.5-177.7-133.1000111.7V11 A45 C77 I79 L85 M88 V95 L96 C98 V99 V109V11-F13 PolarHBondContact O-N 2.91Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.95Å; F13-C77 HydrophobicContact CD2-CB 4.19Å; F13-C77 HydrophobicContact CE2-CB 3.77Å; F13-C77 WeakPolarHBondContact CE2-SG 3.39Å; F13-I79 HydrophobicContact CE1-CD1 4.06Å; F13-I79 HydrophobicContact CZ-CB 4.37Å; F13-I79 HydrophobicContact CZ-CD1 4.43Å; F13-L85 HydrophobicContact CE1-CD2 3.93Å; F13-L85 HydrophobicContact CZ-CD2 3.93Å; F13-M88 HydrophobicContact CB-CE 4.01Å; F13-M88 HydrophobicContact CB-SD 3.74Å; F13-M88 HydrophobicContact CD1-CE 4.02Å; F13-M88 HydrophobicContact CD2-CE 4.17Å; F13-M88 HydrophobicContact CD2-SD 3.65Å; F13-M88 HydrophobicContact CE2-SD 4.42Å; F13-M88 HydrophobicContact CG-CE 3.8Å; F13-M88 HydrophobicContact CG-SD 3.72Å; F13-V95 HydrophobicContact CB-CG1 3.95Å; F13-L96 PolarHBondContact N-O 2.87Å; F13-C98 WeakPolarHBondContact O-CB 3.14Å; F13-C98 PolarHBondContact O-N 2.78Å; F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.39Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.31Å; F13-V99 HydrophobicContact CG-CG2 4.02Å; F13-V99 HydrophobicContact CZ-CG2 3.88Å; F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.64Å
14G98.3Very high94.2Very high11 Ų1141 Ų4111%0.11321%0.211CC..THydrogen-bonded Turntrans83.723.4-169.400000112.6S16 G17 A45G14-S16 PolarHBondContact O-N 3.01Å; G14-S16 VanDerWaalsContact O-N 3.15Å; G14-G17 WeakPolarHBondContact O-CA 3.48Å; G14-G17 PolarHBondContact O-N 3.28Å; G14-A45 PolarHBondContact N-O 3.02Å
15A98.3Very high96.1Very high0 Ų033.6 Ų33.60%018%0.177CC..THydrogen-bonded Turntrans-56.7-29.6-176.900000114.1V12 G17 G20 Q21 T24 V44 A45 L52V12-A15 HydrophobicContact CB-CB 4.27Å; V12-A15 HydrophobicContact CG1-CB 3.98Å; V12-A15 WeakPolarHBondContact O-CB 3.49Å; A15-G17 VanDerWaalsContact C-N 3.28Å; A15-G17 PolarHBondContact O-N 3.43Å; A15-G20 CarbonylContact O-C 3.6Å; A15-Q21 PolarHBondContact O-N 2.96Å; A15-Q21 VanDerWaalsContact O-N 3.16Å; A15-T24 WeakPolarHBondContact CB-OG1 3.29Å; A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; A15-A45 PolarHBondContact N-O 3.35Å; A15-L52 HydrophobicContact CB-CD2 3.72Å
16S97.3Very high97.1Very high41 Ų4125.2 Ų25.229%0.28714%0.137SC..THydrogen-bonded Turntrans-81-3174.567.20000114.7G14G14-S16 PolarHBondContact O-N 3.01Å; G14-S16 VanDerWaalsContact O-N 3.15Å
17G96Very high97.5Very high31 Ų3122 Ų2232%0.3213%0.125SC..SBendtrans-72.1173.1174.400000111.8G14 A15 Q21G14-G17 WeakPolarHBondContact O-CA 3.48Å; G14-G17 PolarHBondContact O-N 3.28Å; A15-G17 VanDerWaalsContact C-N 3.28Å; A15-G17 PolarHBondContact O-N 3.43Å; G17-Q21 WeakPolarHBondContact O-CG 3.46Å; G17-Q21 PolarHBondContact O-N 3.39Å; G17-Q21 PolarHBondContact O-NE2 3.17Å
18F95.7Very high97.5Very high43 Ų4318.8 Ų18.819%0.18910%0.104CC..Hα-helixtrans-62.2-60.4-178.8-167.7-92.9000111.2G20 Q21 F22 H193 Q324 Y371F18-G20 PolarHBondContact O-N 3.35Å; F18-Q21 PolarHBondContact O-N 3.06Å; F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.75Å; F18-F22 HydrophobicContact CE1-CE2 3.75Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.03Å; F18-F22 HydrophobicContact CZ-CZ 4.45Å; F18-F22 VanDerWaalsContact O-CD2 3.27Å; F18-F22 WeakPolarHBondContact O-CD2 3.35Å; F18-H193 HydrophobicContact CB-CB 4.49Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.96Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.49Å; F18-H193 VanDerWaalsContact CD2-CD2 3.49Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.42Å; F18-H193 HydrophobicContact CE1-CB 3.86Å; F18-H193 HydrophobicContact CG-CB 3.94Å; F18-H193 AromaticContact CG-CD2 3.4Å; F18-H193 VanDerWaalsContact CG-CD2 3.4Å; F18-H193 WeakPolarHBondContact CG-CD2 3.4Å; F18-H193 AromaticContact CG-CG 3.56Å; F18-H193 AromaticContact CG-NE2 3.97Å; F18-Q324 WeakPolarHBondContact CE2-O 3.31Å; F18-Y371 AromaticContact CD1-CD1 3.82Å; F18-Y371 HydrophobicContact CD1-CD1 3.82Å; F18-Y371 AromaticContact CD1-CE1 3.35Å; F18-Y371 HydrophobicContact CD1-CE1 3.35Å; F18-Y371 AromaticContact CD1-CZ 3.99Å; F18-Y371 AromaticContact CE1-CD1 3.54Å; F18-Y371 HydrophobicContact CE1-CD1 3.54Å; F18-Y371 HydrophobicContact CE1-CD2 4.37Å; F18-Y371 AromaticContact CE1-CE1 3.26Å; F18-Y371 HydrophobicContact CE1-CE1 3.26Å; F18-Y371 HydrophobicContact CE1-CE2 4.14Å; F18-Y371 HydrophobicContact CE1-CG 4.1Å; F18-Y371 AromaticContact CE1-CZ 3.59Å
19T96.1Very high97.3Very high31 Ų3122.5 Ų22.519%0.1912%0.117CC..Hα-helixtrans-66.8-36177.1-47.70000112.7Q21 F22 V23 I123 T374T19-Q21 PolarHBondContact O-N 3.41Å; T19-F22 PolarHBondContact O-N 2.96Å; T19-V23 HydrophobicContact CG2-CG2 4.42Å; T19-V23 PolarHBondContact O-N 3.49Å; T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; T19-T374 HydrophobicContact CG2-CG2 4.37Å
20G98Very high97.1Very high1 Ų119.6 Ų19.61%0.0110%0.104CC..Hα-helixtrans-60-28.3179.700000114.1A15 F18 T24A15-G20 CarbonylContact O-C 3.6Å; F18-G20 PolarHBondContact O-N 3.35Å; G20-T24 WeakPolarHBondContact O-CB 3.31Å; G20-T24 PolarHBondContact O-N 2.83Å; G20-T24 PolarHBondContact O-OG1 2.95Å
21Q98.1Very high96.6Very high60 Ų6020.1 Ų20.128%0.2811%0.106SC..Hα-helixtrans-64.2-44.2173-80.7168.385.300111.9A15 G17 F18 T19 T24 E25 V55A15-Q21 PolarHBondContact O-N 2.96Å; A15-Q21 VanDerWaalsContact O-N 3.16Å; G17-Q21 WeakPolarHBondContact O-CG 3.46Å; G17-Q21 PolarHBondContact O-N 3.39Å; G17-Q21 PolarHBondContact O-NE2 3.17Å; F18-Q21 PolarHBondContact O-N 3.06Å; T19-Q21 PolarHBondContact O-N 3.41Å; Q21-T24 WeakPolarHBondContact O-CB 3.38Å; Q21-T24 PolarHBondContact O-N 3.39Å; Q21-E25 PolarHBondContact O-N 3.11Å; Q21-V55 HydrophobicContact CB-CG1 4.39Å; Q21-V55 HydrophobicContact CG-CB 4.36Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å
22F98.3Very high95.6Very high32 Ų3223.8 Ų23.814%0.1413%0.128CC..Hα-helixtrans-70.2-37.1178.1-63.3-90.5000112F18 T19 T24 E25 E26 I331 Y371 P375F18-F22 HydrophobicContact CD1-CE2 4.17Å; F18-F22 AromaticContact CE1-CE2 3.75Å; F18-F22 HydrophobicContact CE1-CE2 3.75Å; F18-F22 HydrophobicContact CE1-CZ 4.45Å; F18-F22 HydrophobicContact CZ-CE2 4.03Å; F18-F22 HydrophobicContact CZ-CZ 4.45Å; F18-F22 VanDerWaalsContact O-CD2 3.27Å; F18-F22 WeakPolarHBondContact O-CD2 3.35Å; T19-F22 PolarHBondContact O-N 2.96Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.81Å; F22-E25 PolarHBondContact O-N 2.76Å; F22-E26 WeakPolarHBondContact O-CB 3.39Å; F22-E26 PolarHBondContact O-N 2.91Å; F22-I331 HydrophobicContact CE1-CD1 3.98Å; F22-I331 HydrophobicContact CZ-CD1 3.86Å; F22-Y371 WeakPolarHBondContact CD1-O 3.18Å; F22-Y371 AromaticContact CD2-CD1 3.97Å; F22-Y371 HydrophobicContact CD2-CD1 3.97Å; F22-Y371 HydrophobicContact CD2-CG 4.33Å; F22-Y371 AromaticContact CE2-CD1 3.93Å; F22-Y371 HydrophobicContact CE2-CD1 3.93Å; F22-Y371 HydrophobicContact CE2-CG 4.1Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; F22-P375 HydrophobicContact CB-CB 4.39Å; F22-P375 HydrophobicContact CB-CG 3.51Å
23V98.6Very high94.2Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-62.7-40.8172.2177.10000110.9V12 T19 E26 V27 L96 P375 M378 V379V12-V23 HydrophobicContact CG1-CB 4.3Å; V12-V23 HydrophobicContact CG1-CG1 3.91Å; V12-V23 HydrophobicContact CG2-CG1 4.26Å; T19-V23 HydrophobicContact CG2-CG2 4.42Å; T19-V23 PolarHBondContact O-N 3.49Å; V23-E26 PolarHBondContact O-N 3.32Å; V23-V27 HydrophobicContact CG1-CG2 4.47Å; V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 2.97Å; V23-L96 HydrophobicContact CG1-CD1 4.12Å; V23-P375 HydrophobicContact CG2-CB 4.25Å; V23-P375 HydrophobicContact CG2-CG 4.3Å; V23-M378 HydrophobicContact CG1-SD 3.96Å; V23-M378 HydrophobicContact CG2-SD 3.93Å; V23-V379 HydrophobicContact CG1-CG2 4.3Å
24T98.4Very high92.5Very high0 Ų031.8 Ų31.80%018%0.179CC..Hα-helixtrans-62.3-43.8175.9-58.60000111.6A15 G20 Q21 F22 E26 A28 W42 V44 V55 L56A15-T24 WeakPolarHBondContact CB-OG1 3.29Å; G20-T24 WeakPolarHBondContact O-CB 3.31Å; G20-T24 PolarHBondContact O-N 2.83Å; G20-T24 PolarHBondContact O-OG1 2.95Å; Q21-T24 WeakPolarHBondContact O-CB 3.38Å; Q21-T24 PolarHBondContact O-N 3.39Å; F22-T24 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 2.81Å; T24-E26 VanDerWaalsContact C-N 3.34Å; T24-A28 WeakPolarHBondContact O-CB 3.14Å; T24-A28 PolarHBondContact O-N 3.23Å; T24-W42 HydrophobicContact CG2-CH2 3.76Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; T24-V55 HydrophobicContact CG2-CG1 3.78Å; T24-L56 HydrophobicContact CG2-CD2 4.04Å
25E97.3Very high90.9Very high24 Ų2438.2 Ų38.211%0.11221%0.206CC..Hα-helixtrans-60.8-43.3174.6-173.9-172.9146.700111.5Q21 F22 A28 R29 K62 L63Q21-E25 PolarHBondContact O-N 3.11Å; F22-E25 PolarHBondContact O-N 2.76Å; E25-A28 CarbonylContact O-C 3.47Å; E25-A28 WeakPolarHBondContact O-CB 3.27Å; E25-A28 PolarHBondContact O-N 3.18Å; E25-R29 PolarHBondContact O-N 3.42Å; E25-R29 IonicContact OE1-NH2 2.73Å; E25-R29 PolarHBondContact OE1-NH2 3.07Å; E25-K62 WeakPolarHBondContact OE1-CD 3.41Å; E25-K62 WeakPolarHBondContact OE1-CE 3.43Å; E25-K62 IonicContact OE1-NZ 3.95Å; E25-K62 PolarHBondContact OE1-NZ 3.28Å; E25-K62 WeakPolarHBondContact OE2-CD 3.44Å; E25-K62 WeakPolarHBondContact OE2-CE 3.43Å; E25-K62 IonicContact OE2-NZ 2.79Å; E25-K62 PolarHBondContact OE2-NZ 2.88Å; E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.28Å; E25-L63 HydrophobicContact CG-CG 4.33Å
26E97.5Very high89.5Confident16 Ų1641 Ų418%0.07522%0.216CC..Hα-helixtrans-69.8-39.9-178.5-172.159.8-165.500112.6F22 V23 T24 A28 R29 E30 P375 I376 V379F22-E26 WeakPolarHBondContact O-CB 3.39Å; F22-E26 PolarHBondContact O-N 2.91Å; V23-E26 PolarHBondContact O-N 3.32Å; T24-E26 VanDerWaalsContact C-N 3.34Å; E26-A28 VanDerWaalsContact C-N 3.27Å; E26-A28 PolarHBondContact O-N 2.9Å; E26-R29 WeakPolarHBondContact O-CB 3.43Å; E26-R29 PolarHBondContact O-N 3.39Å; E26-R29 VanDerWaalsContact O-N 3.16Å; E26-R29 IonicContact OE2-NE 3.56Å; E26-R29 PolarHBondContact OE2-NE 3.5Å; E26-E30 PolarHBondContact O-N 2.88Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; E26-I376 HydrophobicContact CG-CG1 4.37Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.96Å; E26-V379 HydrophobicContact CG-CG1 4.37Å; E26-V379 HydrophobicContact CG-CG2 3.79Å
27V97Very high87.6Confident0 Ų045.3 Ų45.30%025%0.246CC..Hα-helixtrans-59.4-42.7170.6175.20000110.2L10 V12 V23 R29 E30 Q31 W42 L96 V379L10-V27 HydrophobicContact CD1-CG1 4.17Å; V12-V27 HydrophobicContact CG2-CG2 3.92Å; V23-V27 HydrophobicContact CG1-CG2 4.47Å; V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 2.97Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.23Å; V27-E30 PolarHBondContact O-N 3Å; V27-Q31 WeakPolarHBondContact O-CG 3.16Å; V27-Q31 PolarHBondContact O-N 3.4Å; V27-Q31 VanDerWaalsContact O-N 3.16Å; V27-W42 HydrophobicContact CB-CE3 4.24Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.48Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.94Å; V27-W42 HydrophobicContact CG1-CH2 4.18Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.87Å; V27-L96 HydrophobicContact CG2-CD1 3.89Å; V27-V379 HydrophobicContact CG2-CG1 4.35Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å
28A95.5Very high86.3Confident0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-65.3-32.9177.400000112.9T24 E25 E26 W42 L63 R65 L68T24-A28 WeakPolarHBondContact O-CB 3.14Å; T24-A28 PolarHBondContact O-N 3.23Å; E25-A28 CarbonylContact O-C 3.47Å; E25-A28 WeakPolarHBondContact O-CB 3.27Å; E25-A28 PolarHBondContact O-N 3.18Å; E26-A28 VanDerWaalsContact C-N 3.27Å; E26-A28 PolarHBondContact O-N 2.9Å; A28-W42 HydrophobicContact CB-CH2 4.25Å; A28-W42 HydrophobicContact CB-CZ2 3.93Å; A28-L63 HydrophobicContact CB-CD1 3.56Å; A28-R65 PolarHBondContact O-NH1 3.36Å; A28-L68 HydrophobicContact CB-CD1 3.88Å; A28-L68 HydrophobicContact CB-CD2 3.81Å
29R93.3Very high85.5Confident113 Ų11352.5 Ų52.543%0.42628%0.275SS..Hα-helixtrans-66.6-47.6173.3-172-176.2-53.9-70.1-5.1111.2E25 E26 V27 Q31 V32 L63E25-R29 PolarHBondContact O-N 3.42Å; E25-R29 IonicContact OE1-NH2 2.73Å; E25-R29 PolarHBondContact OE1-NH2 3.07Å; E26-R29 WeakPolarHBondContact O-CB 3.43Å; E26-R29 PolarHBondContact O-N 3.39Å; E26-R29 VanDerWaalsContact O-N 3.16Å; E26-R29 IonicContact OE2-NE 3.56Å; E26-R29 PolarHBondContact OE2-NE 3.5Å; V27-R29 VanDerWaalsContact C-N 3.32Å; V27-R29 PolarHBondContact O-N 3.23Å; R29-Q31 PolarHBondContact O-N 2.94Å; R29-V32 PolarHBondContact O-N 2.86Å; R29-V32 VanDerWaalsContact O-N 3.17Å; R29-L63 HydrophobicContact CB-CD2 4.42Å
30E91.6Very high85.1Confident4 Ų451.9 Ų51.92%0.01927%0.271CS..Hα-helixtrans-60.1-30179.1-177.567.7-16400112.9E26 V27 V32 D33 V379 Q380 M383 R413 H417E26-E30 PolarHBondContact O-N 2.88Å; V27-E30 PolarHBondContact O-N 3Å; E30-V32 PolarHBondContact O-N 3.37Å; E30-V32 VanDerWaalsContact O-N 3.1Å; E30-D33 PolarHBondContact O-N 3.49Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.18Å; E30-Q380 PolarHBondContact OE2-NE2 3.49Å; E30-M383 HydrophobicContact CG-CE 3.81Å; E30-M383 HydrophobicContact CG-CG 3.85Å; E30-M383 HydrophobicContact CG-SD 3.93Å; E30-M383 WeakPolarHBondContact OE1-CE 3.24Å; E30-R413 IonicContact OE1-CZ 3.9Å; E30-R413 IonicContact OE1-NH2 2.71Å; E30-R413 PolarHBondContact OE1-NH2 2.87Å; E30-R413 IonicContact OE2-NH2 2.71Å; E30-H417 IonicContact OE2-CE1 3.86Å; E30-H417 IonicContact OE2-NE2 2.74Å; E30-H417 PolarHBondContact OE2-NE2 2.92Å
31Q86.5Confident84.9Confident10 Ų1054.9 Ų54.95%0.04729%0.29CS..THydrogen-bonded Turntrans-65.9-9.6178.2-67.8-46.2-49.500114.8V27 R29 L40V27-Q31 WeakPolarHBondContact O-CG 3.16Å; V27-Q31 PolarHBondContact O-N 3.4Å; V27-Q31 VanDerWaalsContact O-N 3.16Å; R29-Q31 PolarHBondContact O-N 2.94Å; Q31-L40 PolarHBondContact OE1-O 2.93Å
32V78.7Confident84.9Confident77 Ų7752.4 Ų52.447%0.46728%0.278SS..THydrogen-bonded Turntrans-114.112.9-176.9-159.30000111.8R29 E30 P34R29-V32 PolarHBondContact O-N 2.86Å; R29-V32 VanDerWaalsContact O-N 3.17Å; E30-V32 PolarHBondContact O-N 3.37Å; E30-V32 VanDerWaalsContact O-N 3.1Å; V32-P34 VanDerWaalsContact O-CD 3.23Å; V32-P34 WeakPolarHBondContact O-CD 3.48Å; V32-P34 VanDerWaalsContact O-N 3.1Å
33D70.1Confident84.9Confident45 Ų4550.9 Ų50.924%0.24127%0.271CS..  trans-56.5116.4175.2-173-13.9000110.3E30 E35 R36E30-D33 PolarHBondContact O-N 3.49Å; D33-E35 PolarHBondContact O-N 3.44Å; D33-E35 PolarHBondContact OD1-N 3.22Å; D33-R36 HydrophobicContact CB-CB 4.32Å; D33-R36 VanDerWaalsContact O-CB 3.28Å; D33-R36 WeakPolarHBondContact O-CB 3.37Å; D33-R36 PolarHBondContact O-N 2.94Å
34P61.9Low84.9Confident129 Ų12950.9 Ų50.984%0.83827%0.271SS*.THydrogen-bonded Turntrans-60.8-24.3-179.2-20.932.1000113.6V32 R36V32-P34 VanDerWaalsContact O-CD 3.23Å; V32-P34 WeakPolarHBondContact O-CD 3.48Å; V32-P34 VanDerWaalsContact O-N 3.1Å; P34-R36 PolarHBondContact O-N 3.06Å
35E65.4Low84.9Confident146 Ų14650.9 Ų50.968%0.68227%0.271SS*.THydrogen-bonded Turntrans-73.1-5.8177.9-62.4-169161.600112.1D33 K416D33-E35 PolarHBondContact O-N 3.44Å; D33-E35 PolarHBondContact OD1-N 3.22Å; E35-K416 IonicContact OE2-NZ 2.76Å; E35-K416 PolarHBondContact OE2-NZ 3.2Å
36R68.5Low85Confident59 Ų5949.9 Ų49.922%0.22327%0.268CS..  trans-101.6126-171.6-151158.8-157.3-119-4.4113.6D33 P34 S38 L40 N387D33-R36 HydrophobicContact CB-CB 4.32Å; D33-R36 VanDerWaalsContact O-CB 3.28Å; D33-R36 WeakPolarHBondContact O-CB 3.37Å; D33-R36 PolarHBondContact O-N 2.94Å; P34-R36 PolarHBondContact O-N 3.06Å; R36-S38 VanDerWaalsContact C-N 3.33Å; R36-S38 PolarHBondContact O-N 2.85Å; R36-L40 VanDerWaalsContact NH2-CD1 3.29Å; R36-N387 PolarHBondContact NH2-OD1 3.12Å; R36-N387 VanDerWaalsContact NH2-OD1 3.11Å
37S58.2Low85Confident130 Ų13057.6 Ų57.691%0.90930%0.296SS*.SBendtrans-71-23.1-176.4-39.50000114.1
38S67.8Low85Confident84 Ų8458.9 Ų58.959%0.58731%0.305SS*.SBendtrans-154.6145179.6620000113R36R36-S38 VanDerWaalsContact C-N 3.33Å; R36-S38 PolarHBondContact O-N 2.85Å
39R79.3Confident85.1Confident142 Ų14265 Ų6554%0.53633%0.328SS..PPolyproline II helixtrans-66.8143.1171.3-63.1-178.1-177.6175.12.9110.3P41 E71R39-P41 WeakPolarHBondContact O-CD 3.36Å; R39-E71 IonicContact CZ-OE2 3.79Å; R39-E71 IonicContact NH1-OE1 2.91Å; R39-E71 PolarHBondContact NH1-OE1 2.84Å; R39-E71 IonicContact NH1-OE2 2.85Å; R39-E71 PolarHBondContact NH1-OE2 2.96Å
40L87.4Confident85.4Confident18 Ų1864.9 Ų64.99%0.09433%0.332CS..PPolyproline II helixtrans-88.8125.4170.3-74.4168.1000109.7H9 Q31 R36 W42 M383 L386H9-L40 HydrophobicContact CB-CB 4.19Å; H9-L40 HydrophobicContact CB-CD1 4.41Å; H9-L40 HydrophobicContact CB-CD2 3.9Å; H9-L40 HydrophobicContact CB-CG 4.37Å; H9-L40 VanDerWaalsContact CG-CD2 3.48Å; Q31-L40 PolarHBondContact OE1-O 2.93Å; R36-L40 VanDerWaalsContact NH2-CD1 3.29Å; L40-W42 PolarHBondContact O-N 3.11Å; L40-M383 HydrophobicContact CD1-CE 3.79Å; L40-M383 HydrophobicContact CD1-SD 4.03Å; L40-L386 HydrophobicContact CD1-CD1 3.84Å
41P93.8Very high85.7Confident63 Ų6369.9 Ų69.941%0.40935%0.354SS..PPolyproline II helixtrans-51.8127.2165.5-27.833.6000110.9P7 F8 H9 R39P7-P41 WeakPolarHBondContact O-CB 3.32Å; F8-P41 HydrophobicContact CD1-CB 4.4Å; H9-P41 PolarHBondContact N-O 3.37Å; R39-P41 WeakPolarHBondContact O-CD 3.36Å
42W97.3Very high86.3Confident8 Ų869.4 Ų69.43%0.0335%0.352CS..EExtended strand (participates in β ladder)trans-145.2161.817872.3-74.3000111.9L10 V12 T24 V27 A28 L40 V44 L56 L68 V72 G73L10-W42 HydrophobicContact CB-CB 3.9Å; L10-W42 CarbonylContact O-C 3.51Å; L10-W42 WeakPolarHBondContact O-CA 3.36Å; L10-W42 VanDerWaalsContact O-CB 3.31Å; L10-W42 WeakPolarHBondContact O-CB 3.46Å; V12-W42 HydrophobicContact CG2-CE3 4.32Å; V12-W42 HydrophobicContact CG2-CZ3 4.18Å; T24-W42 HydrophobicContact CG2-CH2 3.76Å; T24-W42 HydrophobicContact CG2-CZ3 3.97Å; V27-W42 HydrophobicContact CB-CE3 4.24Å; V27-W42 HydrophobicContact CB-CH2 4.32Å; V27-W42 HydrophobicContact CB-CZ3 4.11Å; V27-W42 HydrophobicContact CG1-CB 4.48Å; V27-W42 HydrophobicContact CG1-CD2 3.48Å; V27-W42 VanDerWaalsContact CG1-CD2 3.48Å; V27-W42 HydrophobicContact CG1-CE3 3.52Å; V27-W42 HydrophobicContact CG1-CG 3.94Å; V27-W42 HydrophobicContact CG1-CH2 4.18Å; V27-W42 HydrophobicContact CG1-CZ2 4.17Å; V27-W42 HydrophobicContact CG1-CZ3 3.87Å; A28-W42 HydrophobicContact CB-CH2 4.25Å; A28-W42 HydrophobicContact CB-CZ2 3.93Å; L40-W42 PolarHBondContact O-N 3.11Å; W42-V44 HydrophobicContact CE3-CG1 4.41Å; W42-V44 HydrophobicContact CH2-CG1 4.28Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; W42-L68 HydrophobicContact CZ2-CD1 4.22Å; W42-V72 HydrophobicContact CD2-CG1 3.93Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.94Å; W42-V72 HydrophobicContact CH2-CG1 3.97Å; W42-V72 HydrophobicContact CH2-CG2 4.07Å; W42-V72 HydrophobicContact CZ2-CB 4.31Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.32Å; W42-V72 HydrophobicContact CZ3-CG1 3.97Å; W42-G73 PolarHBondContact O-N 2.78Å
43A98.6Very high87.2Confident0 Ų069.7 Ų69.70%035%0.348CS..EExtended strand (participates in β ladder)trans-137.2158.3179.200000112.7F8 L10 V11 V12 G73 I75F8-A43 HydrophobicContact CD1-CB 3.9Å; F8-A43 HydrophobicContact CD2-CB 3.87Å; F8-A43 HydrophobicContact CE1-CB 3.93Å; F8-A43 HydrophobicContact CE2-CB 3.91Å; F8-A43 HydrophobicContact CG-CB 3.88Å; F8-A43 HydrophobicContact CZ-CB 3.94Å; L10-A43 PolarHBondContact O-N 2.85Å; V11-A43 CarbonylContact C-O 3.38Å; V11-A43 WeakPolarHBondContact CA-O 3.28Å; V11-A43 HydrophobicContact CG2-CB 4.24Å; V12-A43 PolarHBondContact N-O 2.96Å; A43-G73 CarbonylContact C-O 3.49Å; A43-G73 WeakPolarHBondContact CA-O 3.29Å; A43-G73 VanDerWaalsContact CB-O 3.27Å; A43-G73 WeakPolarHBondContact CB-O 3.34Å; A43-I75 HydrophobicContact CB-CD1 4.04Å; A43-I75 HydrophobicContact CB-CG1 4.17Å
44V98.8Very high88.5Confident0 Ų073.9 Ų73.90%036%0.36CS..EExtended strand (participates in β ladder)trans-102.5140.2165.8-66.50000109.8A15 T24 W42 L52 L56 V72 G73 I74 I75A15-V44 HydrophobicContact CB-CB 3.7Å; A15-V44 HydrophobicContact CB-CG1 3.9Å; T24-V44 HydrophobicContact CG2-CG1 3.6Å; W42-V44 HydrophobicContact CE3-CG1 4.41Å; W42-V44 HydrophobicContact CH2-CG1 4.28Å; W42-V44 HydrophobicContact CZ3-CG1 3.64Å; V44-L52 HydrophobicContact CB-CD2 4.17Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.17Å; V44-L52 HydrophobicContact CG2-CG 4.46Å; V44-L56 HydrophobicContact CG1-CD2 3.92Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; V44-V72 HydrophobicContact CG1-CG1 4.28Å; V44-G73 PolarHBondContact N-O 3.16Å; V44-I74 HydrophobicContact CG2-CG1 4.01Å; V44-I74 WeakPolarHBondContact O-CA 3.36Å; V44-I75 PolarHBondContact O-N 2.85Å
45A98.8Very high90.2Very high0 Ų068.2 Ų68.20%032%0.323CS..EExtended strand (participates in β ladder)trans-128.7139.8-178.400000113V11 V12 F13 G14 A15 I75 C77 M88V11-A45 HydrophobicContact CG1-CB 3.65Å; V12-A45 PolarHBondContact O-N 3.25Å; F13-A45 HydrophobicContact CB-CB 4.45Å; F13-A45 HydrophobicContact CD2-CB 3.95Å; G14-A45 PolarHBondContact N-O 3.02Å; A15-A45 PolarHBondContact N-O 3.35Å; A45-I75 VanDerWaalsContact CA-O 3.25Å; A45-I75 WeakPolarHBondContact CA-O 3.4Å; A45-I75 HydrophobicContact CB-CB 4.03Å; A45-C77 HydrophobicContact CB-CB 4.34Å; A45-M88 HydrophobicContact CB-CG 4.26Å; A45-M88 HydrophobicContact CB-SD 3.53Å; A45-M88 VanDerWaalsContact CB-SD 3.53Å
46G98.3Very high91.8Very high4 Ų461.3 Ų61.34%0.04129%0.291CS..EExtended strand (participates in β ladder)trans172.4-177.9179.300000113.2I75 I76 C77G46-I75 PolarHBondContact N-O 3Å; G46-I76 WeakPolarHBondContact O-CA 3.49Å; G46-C77 CarbonylContact C-O 3.6Å; G46-C77 PolarHBondContact O-N 3.47Å
47R97.3Very high93.1Very high178 Ų17863.7 Ų63.767%0.67231%0.305SS*.SBendtrans-78.3-24.9-168.8-64.1-178.9-65.7174.7-1.8115.5C77 D78R47-C77 PolarHBondContact N-O 3.34Å; R47-D78 VanDerWaalsContact CD-CG 3.44Å; R47-D78 WeakPolarHBondContact CD-OD1 3.37Å; R47-D78 WeakPolarHBondContact CD-OD2 3.49Å; R47-D78 HydrophobicContact CG-CB 3.92Å
48S98.1Very high94.9Very high26 Ų2664 Ų6418%0.18229%0.29CS..  trans-127116.7-174.4159.60000110.1E50 K51 L52S48-E50 PolarHBondContact O-N 3.03Å; S48-E50 PolarHBondContact OG-OE2 3.2Å; S48-K51 PolarHBondContact O-N 3.37Å; S48-K51 PolarHBondContact OG-N 3.21Å; S48-L52 WeakPolarHBondContact O-CG 3.35Å; S48-L52 PolarHBondContact O-N 3.22Å; S48-L52 VanDerWaalsContact O-N 3.1Å
49R97.9Very high96.3Very high130 Ų13060.2 Ų60.249%0.49126%0.264SS..Hα-helixtrans-55.9-42.6177.1-175.3165.9-104.9167.4-6.1111.2K51 L52 Q53 I74 I76R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 3.12Å; R49-L52 PolarHBondContact O-N 3.03Å; R49-Q53 HydrophobicContact CG-CG 4.47Å; R49-Q53 WeakPolarHBondContact O-CG 3.04Å; R49-Q53 PolarHBondContact O-N 3.1Å; R49-I74 HydrophobicContact CG-CG2 4.35Å; R49-I76 HydrophobicContact CB-CD1 3.76Å
50E98.2Very high97.1Very high110 Ų11053.9 Ų53.951%0.51424%0.242SC..Hα-helixtrans-67.3-34.6-176.6-50.969.9-148.200111.5S48 R54S48-E50 PolarHBondContact O-N 3.03Å; S48-E50 PolarHBondContact OG-OE2 3.2Å; E50-R54 WeakPolarHBondContact O-CG 3.39Å; E50-R54 PolarHBondContact O-N 3.26Å; E50-R54 PolarHBondContact O-NE 3.44Å
51K98.3Very high97.5Very high109 Ų10960.2 Ų60.247%0.47428%0.275SS..Hα-helixtrans-70.7-42.4173.1-74-178.6-177.2179.70111S48 R49 R54 V55S48-K51 PolarHBondContact O-N 3.37Å; S48-K51 PolarHBondContact OG-N 3.21Å; R49-K51 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 3.12Å; K51-R54 PolarHBondContact O-N 2.99Å; K51-V55 WeakPolarHBondContact O-CG2 3.18Å; K51-V55 PolarHBondContact O-N 2.71Å
52L98.6Very high97.5Very high0 Ų062.3 Ų62.30%028%0.278CS..Hα-helixtrans-62.5-44.7178.6-64.7171000111.5A15 V44 S48 R49 R54 V55 L56 I74 I76A15-L52 HydrophobicContact CB-CD2 3.72Å; V44-L52 HydrophobicContact CB-CD2 4.17Å; V44-L52 HydrophobicContact CG2-CB 4Å; V44-L52 HydrophobicContact CG2-CD2 4.17Å; V44-L52 HydrophobicContact CG2-CG 4.46Å; S48-L52 WeakPolarHBondContact O-CG 3.35Å; S48-L52 PolarHBondContact O-N 3.22Å; S48-L52 VanDerWaalsContact O-N 3.1Å; R49-L52 PolarHBondContact O-N 3.03Å; L52-R54 PolarHBondContact O-N 2.68Å; L52-V55 WeakPolarHBondContact O-CB 3.5Å; L52-V55 PolarHBondContact O-N 3.08Å; L52-V55 VanDerWaalsContact O-N 3.11Å; L52-L56 PolarHBondContact O-N 3.15Å; L52-I74 HydrophobicContact CB-CG2 4.29Å; L52-I74 HydrophobicContact CD1-CG2 3.71Å; L52-I76 HydrophobicContact CD1-CD1 4.42Å
53Q98.1Very high97.3Very high82 Ų8263.6 Ų63.638%0.38329%0.285SS..Hα-helixtrans-57.3-46.6174.5-74.2171.6-40.500111.8R49 V55 L56 E57 I74R49-Q53 HydrophobicContact CG-CG 4.47Å; R49-Q53 WeakPolarHBondContact O-CG 3.04Å; R49-Q53 PolarHBondContact O-N 3.1Å; Q53-V55 VanDerWaalsContact C-N 3.28Å; Q53-V55 PolarHBondContact O-N 2.85Å; Q53-L56 PolarHBondContact O-N 3.32Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; Q53-E57 WeakPolarHBondContact O-CG 3.31Å; Q53-E57 PolarHBondContact O-N 2.93Å; Q53-I74 HydrophobicContact CG-CD1 3.67Å
54R97.9Very high97.2Very high133 Ų13366.6 Ų66.650%0.50232%0.316SS..Hα-helixtrans-61.5-32.6175.9-76.5-176.6-70.7176.5-9113.8E50 K51 L52 K58E50-R54 WeakPolarHBondContact O-CG 3.39Å; E50-R54 PolarHBondContact O-N 3.26Å; E50-R54 PolarHBondContact O-NE 3.44Å; K51-R54 PolarHBondContact O-N 2.99Å; L52-R54 PolarHBondContact O-N 2.68Å; R54-K58 WeakPolarHBondContact O-CB 3.33Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.4Å; R54-K58 PolarHBondContact O-N 3.36Å; R54-K58 VanDerWaalsContact O-N 3.11Å
55V98.1Very high96.8Very high10 Ų1067.7 Ų67.76%0.06132%0.32CS..Hα-helixtrans-66.5-45.7173.51750000110.3Q21 T24 K51 L52 Q53 K58 A59Q21-V55 HydrophobicContact CB-CG1 4.39Å; Q21-V55 HydrophobicContact CG-CB 4.36Å; Q21-V55 HydrophobicContact CG-CG1 3.89Å; Q21-V55 HydrophobicContact CG-CG2 3.53Å; T24-V55 HydrophobicContact CG2-CG1 3.78Å; K51-V55 WeakPolarHBondContact O-CG2 3.18Å; K51-V55 PolarHBondContact O-N 2.71Å; L52-V55 WeakPolarHBondContact O-CB 3.5Å; L52-V55 PolarHBondContact O-N 3.08Å; L52-V55 VanDerWaalsContact O-N 3.11Å; Q53-V55 VanDerWaalsContact C-N 3.28Å; Q53-V55 PolarHBondContact O-N 2.85Å; V55-K58 PolarHBondContact O-N 2.71Å; V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 2.76Å
56L98.2Very high96.4Very high1 Ų173.3 Ų73.31%0.00536%0.356CS..Hα-helixtrans-63-42.5177.9-64.5174.8000111.9T24 W42 V44 L52 Q53 K58 A59 A60 V72 I74T24-L56 HydrophobicContact CG2-CD2 4.04Å; W42-L56 HydrophobicContact CH2-CD2 4.25Å; V44-L56 HydrophobicContact CG1-CD2 3.92Å; V44-L56 HydrophobicContact CG2-CD1 3.97Å; V44-L56 HydrophobicContact CG2-CD2 4.3Å; V44-L56 HydrophobicContact CG2-CG 4.22Å; L52-L56 PolarHBondContact O-N 3.15Å; Q53-L56 PolarHBondContact O-N 3.32Å; Q53-L56 VanDerWaalsContact O-N 3.09Å; L56-K58 PolarHBondContact O-N 2.97Å; L56-A59 PolarHBondContact O-N 2.99Å; L56-A60 WeakPolarHBondContact O-CB 3.2Å; L56-A60 PolarHBondContact O-N 3.29Å; L56-V72 HydrophobicContact CD1-CB 4.17Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.09Å; L56-V72 HydrophobicContact CD2-CG1 3.85Å; L56-V72 HydrophobicContact CD2-CG2 4.26Å; L56-I74 HydrophobicContact CD1-CD1 4.11Å; L56-I74 HydrophobicContact CD1-CG1 4.17Å
57E97.3Very high96.1Very high110 Ų11076.5 Ų76.551%0.51438%0.375SS..Hα-helixtrans-60.5-43.3175.5-72.1164-171.200112.3Q53 A60 L61Q53-E57 WeakPolarHBondContact O-CG 3.31Å; Q53-E57 PolarHBondContact O-N 2.93Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 3.32Å; E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.3Å
58K96Very high95.9Very high135 Ų13568 Ų6859%0.58734%0.343SS*.Hα-helixtrans-64.8-44.6176.3-75.4176.2-179.5-173.40111.9R54 V55 L56 A60 L61 K62R54-K58 WeakPolarHBondContact O-CB 3.33Å; R54-K58 VanDerWaalsContact O-CG 3.25Å; R54-K58 WeakPolarHBondContact O-CG 3.4Å; R54-K58 PolarHBondContact O-N 3.36Å; R54-K58 VanDerWaalsContact O-N 3.11Å; V55-K58 PolarHBondContact O-N 2.71Å; L56-K58 PolarHBondContact O-N 2.97Å; K58-A60 VanDerWaalsContact C-N 3.34Å; K58-L61 PolarHBondContact O-N 3.08Å; K58-K62 WeakPolarHBondContact O-CB 3.38Å; K58-K62 PolarHBondContact O-N 3.06Å
59A96.6Very high95.5Very high6 Ų669 Ų695%0.0535%0.35CS..Hα-helixtrans-63.4-42.4176.300000111V55 L56 L61 K62 L63 L68V55-A59 WeakPolarHBondContact O-CB 3.49Å; V55-A59 PolarHBondContact O-N 2.76Å; L56-A59 PolarHBondContact O-N 2.99Å; A59-L61 PolarHBondContact O-N 3.34Å; A59-K62 PolarHBondContact O-N 3.05Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.29Å; A59-L63 VanDerWaalsContact O-CG 3.27Å; A59-L63 WeakPolarHBondContact O-CG 3.17Å; A59-L63 PolarHBondContact O-N 3.2Å; A59-L68 HydrophobicContact CB-CD2 3.84Å
60A95.9Very high95.1Very high9 Ų967.8 Ų67.87%0.07436%0.362CS..Hα-helixtrans-56.2-49.4175.200000111.4L56 E57 K58 G64 R65 L68L56-A60 WeakPolarHBondContact O-CB 3.2Å; L56-A60 PolarHBondContact O-N 3.29Å; E57-A60 WeakPolarHBondContact O-CB 3.48Å; E57-A60 PolarHBondContact O-N 3.32Å; K58-A60 VanDerWaalsContact C-N 3.34Å; A60-G64 CarbonylContact O-C 3.57Å; A60-G64 PolarHBondContact O-N 2.95Å; A60-R65 WeakPolarHBondContact CA-O 3.17Å; A60-R65 WeakPolarHBondContact CB-O 3.22Å; A60-R65 PolarHBondContact O-N 3.42Å; A60-L68 HydrophobicContact CB-CB 3.97Å; A60-L68 HydrophobicContact CB-CD2 4.28Å
61L95.9Very high94.8Very high151 Ų15165.7 Ų65.779%0.79135%0.352SS*.Hα-helixtrans-62.9-48.6178.5-178.264.9000111.6E57 K58 A59 L63 G64E57-L61 WeakPolarHBondContact O-CB 3.39Å; E57-L61 PolarHBondContact O-N 3.3Å; K58-L61 PolarHBondContact O-N 3.08Å; A59-L61 PolarHBondContact O-N 3.34Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3.25Å; L61-G64 PolarHBondContact O-N 3.02Å
62K93.8Very high94.7Very high106 Ų10661 Ų6146%0.46133%0.332SS..Hα-helixtrans-66-32.9-176.8-173.8169.1170.7-163.40113E25 K58 A59E25-K62 WeakPolarHBondContact OE1-CD 3.41Å; E25-K62 WeakPolarHBondContact OE1-CE 3.43Å; E25-K62 IonicContact OE1-NZ 3.95Å; E25-K62 PolarHBondContact OE1-NZ 3.28Å; E25-K62 WeakPolarHBondContact OE2-CD 3.44Å; E25-K62 WeakPolarHBondContact OE2-CE 3.43Å; E25-K62 IonicContact OE2-NZ 2.79Å; E25-K62 PolarHBondContact OE2-NZ 2.88Å; K58-K62 WeakPolarHBondContact O-CB 3.38Å; K58-K62 PolarHBondContact O-N 3.06Å; A59-K62 PolarHBondContact O-N 3.05Å
63L93.7Very high94.7Very high36 Ų3661.8 Ų61.819%0.18834%0.34CS..Hα-helixtrans-92.8-3.6179.5-61.2175.9000113.5E25 A28 R29 A59 L61 R65E25-L63 HydrophobicContact CG-CD1 4.3Å; E25-L63 HydrophobicContact CG-CD2 4.28Å; E25-L63 HydrophobicContact CG-CG 4.33Å; A28-L63 HydrophobicContact CB-CD1 3.56Å; R29-L63 HydrophobicContact CB-CD2 4.42Å; A59-L63 VanDerWaalsContact O-CB 3.29Å; A59-L63 WeakPolarHBondContact O-CB 3.29Å; A59-L63 VanDerWaalsContact O-CG 3.27Å; A59-L63 WeakPolarHBondContact O-CG 3.17Å; A59-L63 PolarHBondContact O-N 3.2Å; L61-L63 VanDerWaalsContact C-N 3.31Å; L61-L63 PolarHBondContact O-N 3.25Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 HydrophobicContact CB-CB 4.47Å; L63-R65 HydrophobicContact CB-CG 4.03Å; L63-R65 PolarHBondContact O-N 2.76Å
64G94.8Very high94.7Very high62 Ų6259.9 Ų59.964%0.63933%0.332SS*.THydrogen-bonded Turntrans65.332.3-174.100000113.7A60 L61 P66A60-G64 CarbonylContact O-C 3.57Å; A60-G64 PolarHBondContact O-N 2.95Å; L61-G64 PolarHBondContact O-N 3.02Å; G64-P66 VanDerWaalsContact O-CD 3.32Å; G64-P66 WeakPolarHBondContact O-CD 3.4Å
65R92Very high94.7Very high24 Ų2454.2 Ų54.29%0.09131%0.311CS..  trans-116.378.5-175.3-66.5-17168-168.5-5.3112.1A28 A60 L63 T67 L68 E71A28-R65 PolarHBondContact O-NH1 3.36Å; A60-R65 WeakPolarHBondContact CA-O 3.17Å; A60-R65 WeakPolarHBondContact CB-O 3.22Å; A60-R65 PolarHBondContact O-N 3.42Å; L63-R65 VanDerWaalsContact C-N 3.32Å; L63-R65 HydrophobicContact CB-CB 4.47Å; L63-R65 HydrophobicContact CB-CG 4.03Å; L63-R65 PolarHBondContact O-N 2.76Å; R65-T67 PolarHBondContact O-N 3.04Å; R65-T67 VanDerWaalsContact O-N 3.15Å; R65-L68 HydrophobicContact CB-CB 4.16Å; R65-L68 VanDerWaalsContact O-CB 3.3Å; R65-L68 WeakPolarHBondContact O-CB 3.44Å; R65-L68 PolarHBondContact O-N 3.47Å; R65-L68 VanDerWaalsContact O-N 3.08Å; R65-E71 IonicContact CZ-OE2 3.92Å; R65-E71 IonicContact NH2-OE2 2.71Å; R65-E71 PolarHBondContact NH2-OE2 2.97Å
66P90.6Very high94.7Very high117 Ų11757.8 Ų57.876%0.7633%0.329SS*.THydrogen-bonded Turntrans-63-24.9-173.725.5-34.8000114.1G64G64-P66 VanDerWaalsContact O-CD 3.32Å; G64-P66 WeakPolarHBondContact O-CD 3.4Å
67T90.5Very high94.7Very high71 Ų7157.7 Ų57.744%0.43633%0.329SS..THydrogen-bonded Turntrans-85.8-2.5179.3580000113.8R65 S69 S70 E71R65-T67 PolarHBondContact O-N 3.04Å; R65-T67 VanDerWaalsContact O-N 3.15Å; T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.83Å; T67-S70 PolarHBondContact O-N 2.87Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact O-OG 3.02Å; T67-E71 WeakPolarHBondContact CB-OE1 3.49Å; T67-E71 WeakPolarHBondContact O-CG 3.49Å; T67-E71 PolarHBondContact O-N 3.14Å; T67-E71 PolarHBondContact OG1-OE1 2.99Å
68L92.8Very high94.7Very high0 Ų055 Ų550%032%0.318CS..Hα-helixtrans-55-44.6-173.8-176.867.5000112.1A28 W42 A59 A60 R65 S70 E71 V72A28-L68 HydrophobicContact CB-CD1 3.88Å; A28-L68 HydrophobicContact CB-CD2 3.81Å; W42-L68 HydrophobicContact CZ2-CD1 4.22Å; A59-L68 HydrophobicContact CB-CD2 3.84Å; A60-L68 HydrophobicContact CB-CB 3.97Å; A60-L68 HydrophobicContact CB-CD2 4.28Å; R65-L68 HydrophobicContact CB-CB 4.16Å; R65-L68 VanDerWaalsContact O-CB 3.3Å; R65-L68 WeakPolarHBondContact O-CB 3.44Å; R65-L68 PolarHBondContact O-N 3.47Å; R65-L68 VanDerWaalsContact O-N 3.08Å; L68-S70 PolarHBondContact O-N 2.96Å; L68-E71 PolarHBondContact O-N 2.92Å; L68-V72 HydrophobicContact CD1-CG2 3.9Å; L68-V72 HydrophobicContact CG-CG2 4.21Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.44Å; L68-V72 PolarHBondContact O-N 3.49Å
69S90.9Very high94.7Very high48 Ų4850.2 Ų50.234%0.33630%0.298SS..Hα-helixtrans-63.4-26-176.8-59.30000114.1T67T67-S69 VanDerWaalsContact C-N 3.29Å; T67-S69 PolarHBondContact O-N 2.83Å
70S89.6Confident94.6Very high104 Ų10453.9 Ų53.973%0.72733%0.329SS*.Hα-helixtrans-88.4-11.4176.258.40000113.3T67 L68T67-S70 PolarHBondContact O-N 2.87Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact O-OG 3.02Å; L68-S70 PolarHBondContact O-N 2.96Å
71E91.1Very high94.7Very high66 Ų6657.2 Ų57.231%0.30835%0.345SS..Hα-helixtrans-94.7-13.9-179.3-66.1170.7-169.400112.8R39 R65 T67 L68R39-E71 IonicContact CZ-OE2 3.79Å; R39-E71 IonicContact NH1-OE1 2.91Å; R39-E71 PolarHBondContact NH1-OE1 2.84Å; R39-E71 IonicContact NH1-OE2 2.85Å; R39-E71 PolarHBondContact NH1-OE2 2.96Å; R65-E71 IonicContact CZ-OE2 3.92Å; R65-E71 IonicContact NH2-OE2 2.71Å; R65-E71 PolarHBondContact NH2-OE2 2.97Å; T67-E71 WeakPolarHBondContact CB-OE1 3.49Å; T67-E71 WeakPolarHBondContact O-CG 3.49Å; T67-E71 PolarHBondContact O-N 3.14Å; T67-E71 PolarHBondContact OG1-OE1 2.99Å; L68-E71 PolarHBondContact O-N 2.92Å
72V96.7Very high94.8Very high11 Ų1154.2 Ų54.27%0.06734%0.335CS..SBendtrans-111.9129.3-170-176.90000111.1W42 V44 L56 L68W42-V72 HydrophobicContact CD2-CG1 3.93Å; W42-V72 HydrophobicContact CD2-CG2 4.25Å; W42-V72 VanDerWaalsContact CE2-CG2 3.42Å; W42-V72 HydrophobicContact CE3-CG1 3.94Å; W42-V72 HydrophobicContact CH2-CG1 3.97Å; W42-V72 HydrophobicContact CH2-CG2 4.07Å; W42-V72 HydrophobicContact CZ2-CB 4.31Å; W42-V72 HydrophobicContact CZ2-CG1 3.94Å; W42-V72 HydrophobicContact CZ2-CG2 3.32Å; W42-V72 HydrophobicContact CZ3-CG1 3.97Å; V44-V72 HydrophobicContact CG1-CG1 4.28Å; L56-V72 HydrophobicContact CD1-CB 4.17Å; L56-V72 HydrophobicContact CD1-CG1 4.25Å; L56-V72 HydrophobicContact CD2-CB 4.09Å; L56-V72 HydrophobicContact CD2-CG1 3.85Å; L56-V72 HydrophobicContact CD2-CG2 4.26Å; L68-V72 HydrophobicContact CD1-CG2 3.9Å; L68-V72 HydrophobicContact CG-CG2 4.21Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.44Å; L68-V72 PolarHBondContact O-N 3.49Å
73G97.8Very high95Very high16 Ų1652 Ų5217%0.16534%0.336CS..EExtended strand (participates in β ladder)trans-67151174.600000112.4W42 A43 V44W42-G73 PolarHBondContact O-N 2.78Å; A43-G73 CarbonylContact C-O 3.49Å; A43-G73 WeakPolarHBondContact CA-O 3.29Å; A43-G73 VanDerWaalsContact CB-O 3.27Å; A43-G73 WeakPolarHBondContact CB-O 3.34Å; V44-G73 PolarHBondContact N-O 3.16Å
74I98.5Very high95.2Very high42 Ų4251 Ų5122%0.21533%0.332CS..EExtended strand (participates in β ladder)trans-123.6119.8173.1-61.8-178.9000109.1V44 R49 L52 Q53 L56 I76V44-I74 HydrophobicContact CG2-CG1 4.01Å; V44-I74 WeakPolarHBondContact O-CA 3.36Å; R49-I74 HydrophobicContact CG-CG2 4.35Å; L52-I74 HydrophobicContact CB-CG2 4.29Å; L52-I74 HydrophobicContact CD1-CG2 3.71Å; Q53-I74 HydrophobicContact CG-CD1 3.67Å; L56-I74 HydrophobicContact CD1-CD1 4.11Å; L56-I74 HydrophobicContact CD1-CG1 4.17Å; I74-I76 HydrophobicContact CG2-CD1 4.31Å
75I98.6Very high95.4Very high13 Ų1348.1 Ų48.17%0.06730%0.302CS..EExtended strand (participates in β ladder)trans-111.2125.5177.7-57173.9000109.1F8 V11 A43 V44 A45 G46 C77 M88 Q91F8-I75 HydrophobicContact CD2-CD1 3.97Å; F8-I75 HydrophobicContact CE2-CD1 3.94Å; F8-I75 HydrophobicContact CE2-CG1 4.31Å; V11-I75 HydrophobicContact CG1-CD1 4.17Å; V11-I75 HydrophobicContact CG2-CD1 4.05Å; A43-I75 HydrophobicContact CB-CD1 4.04Å; A43-I75 HydrophobicContact CB-CG1 4.17Å; V44-I75 PolarHBondContact O-N 2.85Å; A45-I75 VanDerWaalsContact CA-O 3.25Å; A45-I75 WeakPolarHBondContact CA-O 3.4Å; A45-I75 HydrophobicContact CB-CB 4.03Å; G46-I75 PolarHBondContact N-O 3Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.29Å; I75-M88 HydrophobicContact CD1-CG 4.36Å; I75-M88 HydrophobicContact CG2-CB 4.1Å; I75-M88 HydrophobicContact CG2-CG 4.27Å; I75-Q91 HydrophobicContact CD1-CB 4.33Å
76I98.4Very high95.7Very high85 Ų8549.2 Ų49.244%0.43631%0.31SS..EExtended strand (participates in β ladder)trans-83.7117.2172.3-55-55.2000108.6G46 R49 L52 I74G46-I76 WeakPolarHBondContact O-CA 3.49Å; R49-I76 HydrophobicContact CB-CD1 3.76Å; L52-I76 HydrophobicContact CD1-CD1 4.42Å; I74-I76 HydrophobicContact CG2-CD1 4.31Å
77C98.3Very high96.1Very high0 Ų048.2 Ų48.20%030%0.295CS..  trans-142.7127.9-174.7-174.50000110F13 A45 G46 R47 I75 M88F13-C77 HydrophobicContact CD2-CB 4.19Å; F13-C77 HydrophobicContact CE2-CB 3.77Å; F13-C77 WeakPolarHBondContact CE2-SG 3.39Å; A45-C77 HydrophobicContact CB-CB 4.34Å; G46-C77 CarbonylContact C-O 3.6Å; G46-C77 PolarHBondContact O-N 3.47Å; R47-C77 PolarHBondContact N-O 3.34Å; I75-C77 HydrophobicContact CG2-CB 4.48Å; I75-C77 PolarHBondContact O-N 3.29Å; C77-M88 HydrophobicContact CB-CB 4.44Å; C77-M88 HydrophobicContact CB-SD 4.15Å
78D96.9Very high96.4Very high52 Ų5244.9 Ų44.928%0.27828%0.275SS..  trans-119127.9175.4-164.8-21.2000109.8R47 A80 N81 S84R47-D78 VanDerWaalsContact CD-CG 3.44Å; R47-D78 WeakPolarHBondContact CD-OD1 3.37Å; R47-D78 WeakPolarHBondContact CD-OD2 3.49Å; R47-D78 HydrophobicContact CG-CB 3.92Å; D78-A80 PolarHBondContact O-N 2.93Å; D78-A80 VanDerWaalsContact O-N 3.16Å; D78-A80 PolarHBondContact OD1-N 3.31Å; D78-N81 HydrophobicContact CB-CB 4.27Å; D78-N81 PolarHBondContact O-N 3.31Å; D78-S84 PolarHBondContact N-OG 3.44Å; D78-S84 PolarHBondContact O-OG 2.88Å
79I95.3Very high96.7Very high35 Ų3544.9 Ų44.918%0.17928%0.275CS..THydrogen-bonded Turntrans-58.6-27.7176.6-166.570.9000112.6F13 N81 L85 Y105 P108 V109F13-I79 HydrophobicContact CE1-CD1 4.06Å; F13-I79 HydrophobicContact CZ-CB 4.37Å; F13-I79 HydrophobicContact CZ-CD1 4.43Å; I79-N81 PolarHBondContact O-N 3.04Å; I79-L85 HydrophobicContact CD1-CD1 4.11Å; I79-L85 HydrophobicContact CD1-CD2 4.07Å; I79-Y105 WeakPolarHBondContact CD1-O 3.49Å; I79-Y105 HydrophobicContact CG1-CD1 4.17Å; I79-Y105 HydrophobicContact CG1-CG 4.47Å; I79-Y105 HydrophobicContact CG2-CD1 4.27Å; I79-P108 HydrophobicContact CD1-CB 4.23Å; I79-V109 HydrophobicContact CD1-CG2 3.43Å; I79-V109 VanDerWaalsContact CD1-CG2 3.43Å
80A95.4Very high97.1Very high83 Ų8347.3 Ų47.369%0.68628%0.279SS*.THydrogen-bonded Turntrans-77.9-7.917700000113.5D78D78-A80 PolarHBondContact O-N 2.93Å; D78-A80 VanDerWaalsContact O-N 3.16Å; D78-A80 PolarHBondContact OD1-N 3.31Å
81N97.6Very high97.4Very high79 Ų7945.2 Ų45.242%0.42226%0.258SS..  trans-117.698.5-179.8-179.8-2.2000110.5D78 I79 A83 S84 L85D78-N81 HydrophobicContact CB-CB 4.27Å; D78-N81 PolarHBondContact O-N 3.31Å; I79-N81 PolarHBondContact O-N 3.04Å; N81-A83 VanDerWaalsContact C-N 3.3Å; N81-A83 PolarHBondContact O-N 3.19Å; N81-A83 PolarHBondContact OD1-N 2.93Å; N81-S84 PolarHBondContact O-N 2.94Å; N81-S84 PolarHBondContact O-OG 2.91Å; N81-L85 PolarHBondContact O-N 3.42Å
82P97.5Very high97.8Very high89 Ų8942.1 Ų42.158%0.57824%0.243SC*.Hα-helixtrans-52.8-41.3179.7-28.535.7000114.4S84 L85 D86P82-S84 PolarHBondContact O-N 2.78Å; P82-L85 WeakPolarHBondContact O-CB 3.12Å; P82-L85 PolarHBondContact O-N 2.81Å; P82-D86 PolarHBondContact O-N 2.9Å
83A98.1Very high97.8Very high58 Ų5843.7 Ų43.748%0.47925%0.253SS..Hα-helixtrans-62-35.1179.600000111.8N81 L85 D86 E87N81-A83 VanDerWaalsContact C-N 3.3Å; N81-A83 PolarHBondContact O-N 3.19Å; N81-A83 PolarHBondContact OD1-N 2.93Å; A83-L85 VanDerWaalsContact C-N 3.33Å; A83-L85 PolarHBondContact O-N 2.88Å; A83-D86 PolarHBondContact O-N 2.88Å; A83-E87 WeakPolarHBondContact O-CG 3.33Å; A83-E87 PolarHBondContact O-N 3.11Å
84S98.4Very high97.9Very high15 Ų1543 Ų4311%0.10525%0.245CC..Hα-helixtrans-70.3-30.1176.776.90000113.1D78 N81 P82 M88D78-S84 PolarHBondContact N-OG 3.44Å; D78-S84 PolarHBondContact O-OG 2.88Å; N81-S84 PolarHBondContact O-N 2.94Å; N81-S84 PolarHBondContact O-OG 2.91Å; P82-S84 PolarHBondContact O-N 2.78Å; S84-M88 WeakPolarHBondContact O-CB 3.35Å; S84-M88 PolarHBondContact O-N 3.42Å
85L98.6Very high97.9Very high3 Ų341 Ų412%0.01624%0.235CC..Hα-helixtrans-69-41.8173.3-65.1169.4000110.8F13 I79 N81 P82 A83 M88 A89 P108 V109 A112F13-L85 HydrophobicContact CE1-CD2 3.93Å; F13-L85 HydrophobicContact CZ-CD2 3.93Å; I79-L85 HydrophobicContact CD1-CD1 4.11Å; I79-L85 HydrophobicContact CD1-CD2 4.07Å; N81-L85 PolarHBondContact O-N 3.42Å; P82-L85 WeakPolarHBondContact O-CB 3.12Å; P82-L85 PolarHBondContact O-N 2.81Å; A83-L85 VanDerWaalsContact C-N 3.33Å; A83-L85 PolarHBondContact O-N 2.88Å; L85-M88 HydrophobicContact CD2-CE 4.37Å; L85-M88 PolarHBondContact O-N 3.17Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.25Å; L85-A89 PolarHBondContact O-N 2.73Å; L85-P108 HydrophobicContact CD1-CB 3.83Å; L85-V109 HydrophobicContact CD2-CG2 4.19Å; L85-A112 HydrophobicContact CB-CB 3.72Å
86D98.4Very high97.9Very high46 Ų4640.3 Ų40.325%0.24623%0.232CC..Hα-helixtrans-62.2-46.5175.9-67.4-30.8000111.3P82 A83 M88 A89 K90 N116P82-D86 PolarHBondContact O-N 2.9Å; A83-D86 PolarHBondContact O-N 2.88Å; D86-M88 VanDerWaalsContact C-N 3.34Å; D86-M88 PolarHBondContact O-N 3.06Å; D86-A89 PolarHBondContact O-N 3.35Å; D86-K90 WeakPolarHBondContact O-CG 3.34Å; D86-K90 PolarHBondContact O-N 3.24Å; D86-N116 PolarHBondContact OD1-ND2 3Å
87E97.9Very high97.9Very high96 Ų9636.3 Ų36.345%0.44921%0.211SC..Hα-helixtrans-62.9-37.5177.6-71.1-51.2124.500112.9A83 K90 Q91A83-E87 WeakPolarHBondContact O-CG 3.33Å; A83-E87 PolarHBondContact O-N 3.11Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 3.34Å; E87-Q91 WeakPolarHBondContact O-CG 3.48Å; E87-Q91 PolarHBondContact O-NE2 3.43Å
88M98.6Very high97.9Very high2 Ų237.1 Ų37.11%0.0122%0.217CC..Hα-helixtrans-65.2-46.2172-178.2-173.76700111.4V11 F13 A45 I75 C77 S84 L85 D86 K90 Q91 A92 V95V11-M88 HydrophobicContact CG1-CG 3.87Å; V11-M88 HydrophobicContact CG1-SD 3.94Å; F13-M88 HydrophobicContact CB-CE 4.01Å; F13-M88 HydrophobicContact CB-SD 3.74Å; F13-M88 HydrophobicContact CD1-CE 4.02Å; F13-M88 HydrophobicContact CD2-CE 4.17Å; F13-M88 HydrophobicContact CD2-SD 3.65Å; F13-M88 HydrophobicContact CE2-SD 4.42Å; F13-M88 HydrophobicContact CG-CE 3.8Å; F13-M88 HydrophobicContact CG-SD 3.72Å; A45-M88 HydrophobicContact CB-CG 4.26Å; A45-M88 HydrophobicContact CB-SD 3.53Å; A45-M88 VanDerWaalsContact CB-SD 3.53Å; I75-M88 HydrophobicContact CD1-CG 4.36Å; I75-M88 HydrophobicContact CG2-CB 4.1Å; I75-M88 HydrophobicContact CG2-CG 4.27Å; C77-M88 HydrophobicContact CB-CB 4.44Å; C77-M88 HydrophobicContact CB-SD 4.15Å; S84-M88 WeakPolarHBondContact O-CB 3.35Å; S84-M88 PolarHBondContact O-N 3.42Å; L85-M88 HydrophobicContact CD2-CE 4.37Å; L85-M88 PolarHBondContact O-N 3.17Å; D86-M88 VanDerWaalsContact C-N 3.34Å; D86-M88 PolarHBondContact O-N 3.06Å; M88-K90 PolarHBondContact O-N 3.1Å; M88-Q91 PolarHBondContact O-N 3.35Å; M88-A92 PolarHBondContact O-N 3.44Å; M88-V95 HydrophobicContact CE-CG1 3.91Å; M88-V95 HydrophobicContact CE-CG2 4.37Å
89A98.5Very high97.8Very high0 Ų035.9 Ų35.90%021%0.211CC..Hα-helixtrans-65.2-39.5-176.500000112.4R6 L85 D86 Q91 A92 A112 N116 A118R6-A89 PolarHBondContact NH1-O 3.03Å; L85-A89 VanDerWaalsContact O-CB 3.31Å; L85-A89 WeakPolarHBondContact O-CB 3.25Å; L85-A89 PolarHBondContact O-N 2.73Å; D86-A89 PolarHBondContact O-N 3.35Å; A89-Q91 PolarHBondContact O-N 2.76Å; A89-A92 PolarHBondContact O-N 3.16Å; A89-A112 HydrophobicContact CB-CB 4.43Å; A89-A112 WeakPolarHBondContact CB-O 3.23Å; A89-N116 HydrophobicContact CB-CB 3.84Å; A89-A118 HydrophobicContact CB-CB 4.43Å
90K97.8Very high97.6Very high99 Ų9936 Ų3643%0.4322%0.221SC..Hα-helixtrans-58-32.3175.2-72.7171.9-169.41690113D86 E87 M88 N116D86-K90 WeakPolarHBondContact O-CG 3.34Å; D86-K90 PolarHBondContact O-N 3.24Å; E87-K90 IonicContact OE1-NZ 2.77Å; E87-K90 PolarHBondContact OE1-NZ 3.34Å; M88-K90 PolarHBondContact O-N 3.1Å; K90-N116 WeakPolarHBondContact CE-OD1 3.36Å; K90-N116 HydrophobicContact CG-CB 3.95Å; K90-N116 VanDerWaalsContact CG-OD1 3.31Å; K90-N116 WeakPolarHBondContact CG-OD1 3.24Å
91Q98Very high97.5Very high60 Ų6032.8 Ų32.828%0.2819%0.193SC..Hα-helixtrans-85.6-12.7-176.1-70177.374.800114P7 F8 I75 E87 M88 A89P7-Q91 WeakPolarHBondContact CD-O 3.35Å; P7-Q91 HydrophobicContact CG-CB 3.74Å; P7-Q91 HydrophobicContact CG-CG 3.91Å; P7-Q91 WeakPolarHBondContact CG-O 3.45Å; F8-Q91 HydrophobicContact CD2-CB 4.07Å; F8-Q91 HydrophobicContact CE2-CB 4.48Å; F8-Q91 PolarHBondContact N-O 2.96Å; I75-Q91 HydrophobicContact CD1-CB 4.33Å; E87-Q91 WeakPolarHBondContact O-CG 3.48Å; E87-Q91 PolarHBondContact O-NE2 3.43Å; M88-Q91 PolarHBondContact O-N 3.35Å; A89-Q91 PolarHBondContact O-N 2.76Å
92A98.3Very high97.4Very high0 Ų029.7 Ų29.70%018%0.176CC..EExtended strand (participates in β ladder)trans-112.2136.1-169.200000112.4R6 F8 V11 M88 A89 V95 A118R6-A92 VanDerWaalsContact CD-C 3.44Å; R6-A92 WeakPolarHBondContact CD-O 3.2Å; R6-A92 PolarHBondContact NH1-O 2.73Å; F8-A92 CarbonylContact O-C 3.39Å; F8-A92 WeakPolarHBondContact O-CA 3.49Å; V11-A92 HydrophobicContact CB-CB 4.01Å; V11-A92 HydrophobicContact CG2-CB 3.48Å; V11-A92 VanDerWaalsContact CG2-CB 3.48Å; M88-A92 PolarHBondContact O-N 3.44Å; A89-A92 PolarHBondContact O-N 3.16Å; A92-V95 HydrophobicContact CB-CG2 3.71Å; A92-A118 WeakPolarHBondContact O-CB 3.18Å
93T97.8Very high97.2Very high45 Ų4527.4 Ų27.428%0.27616%0.155SC..EExtended strand (participates in β ladder)trans-74.9-45.5164.1-54.30000110.4F8 H9 S119 L386F8-T93 PolarHBondContact O-N 2.88Å; F8-T93 PolarHBondContact O-OG1 3.23Å; H9-T93 WeakPolarHBondContact O-CB 3.27Å; T93-S119 PolarHBondContact O-N 3.16Å; T93-L386 HydrophobicContact CG2-CD2 3.79Å
94V98.5Very high96.9Very high0 Ų029.1 Ų29.10%015%0.152CC..EExtended strand (participates in β ladder)trans-131.3130.7175.6-169.60000110.3H9 L10 V11 L96 S119 I121 L385 L386H9-V94 PolarHBondContact O-N 3.05Å; L10-V94 CarbonylContact C-O 3.49Å; L10-V94 WeakPolarHBondContact CA-O 3.15Å; L10-V94 HydrophobicContact CD2-CB 4.02Å; V11-V94 PolarHBondContact N-O 3.39Å; V94-L96 HydrophobicContact CG1-CD2 4.13Å; V94-S119 CarbonylContact C-O 3.45Å; V94-S119 WeakPolarHBondContact CA-O 3.38Å; V94-I121 HydrophobicContact CG1-CD1 4.09Å; V94-I121 HydrophobicContact CG1-CG1 4.04Å; V94-L385 HydrophobicContact CG1-CD2 4.42Å; V94-L385 HydrophobicContact CG2-CD2 3.39Å; V94-L386 HydrophobicContact CG2-CD2 3.82Å; V94-L386 HydrophobicContact CG2-CG 4.11Å
95V98.9Very high96.8Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-98.7123.2170.21790000109.3V11 F13 M88 A92 V109 S119 C120 I121V11-V95 CarbonylContact O-C 3.49Å; V11-V95 WeakPolarHBondContact O-CA 3.38Å; F13-V95 HydrophobicContact CB-CG1 3.95Å; M88-V95 HydrophobicContact CE-CG1 3.91Å; M88-V95 HydrophobicContact CE-CG2 4.37Å; A92-V95 HydrophobicContact CB-CG2 3.71Å; V95-V109 HydrophobicContact CG1-CG1 4.33Å; V95-S119 PolarHBondContact N-O 3.34Å; V95-C120 WeakPolarHBondContact O-CA 3.36Å; V95-I121 PolarHBondContact O-N 3.13Å
96L98.8Very high96.8Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-90.398.5169.1-54.6-171.2000108.1V11 V12 F13 V23 V27 V94 C98 I121 M378 V379 A382V11-L96 PolarHBondContact O-N 2.89Å; V12-L96 HydrophobicContact CG2-CD1 4.3Å; F13-L96 PolarHBondContact N-O 2.87Å; V23-L96 HydrophobicContact CG1-CD1 4.12Å; V27-L96 HydrophobicContact CG2-CD1 3.89Å; V94-L96 HydrophobicContact CG1-CD2 4.13Å; L96-C98 PolarHBondContact O-N 3.32Å; L96-I121 HydrophobicContact CD2-CB 3.96Å; L96-I121 HydrophobicContact CD2-CD1 4.45Å; L96-I121 HydrophobicContact CD2-CG2 4.48Å; L96-M378 HydrophobicContact CB-CE 3.56Å; L96-M378 HydrophobicContact CB-SD 4.2Å; L96-M378 HydrophobicContact CD2-CE 4.3Å; L96-M378 HydrophobicContact CG-CE 4.45Å; L96-V379 HydrophobicContact CD1-CG2 4.46Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.58Å
97N98.6Very high96.7Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-85111.4-176.6-176.714.6000111.2V99 Y102 V109 I121 D122N97-V99 WeakPolarHBondContact OD1-CB 3.46Å; N97-V99 PolarHBondContact OD1-N 3.47Å; N97-Y102 PolarHBondContact O-OH 3.3Å; N97-V109 HydrophobicContact CB-CG1 4.33Å; N97-I121 PolarHBondContact N-O 3.09Å; N97-D122 HydrophobicContact CB-CB 4.31Å
98C97.9Very high96.8Very high17 Ų1731.1 Ų31.112%0.11516%0.159CC..  trans-10815.9174.4-54.40000112.9F13 L96 G100F13-C98 WeakPolarHBondContact O-CB 3.14Å; F13-C98 PolarHBondContact O-N 2.78Å; L96-C98 PolarHBondContact O-N 3.32Å; C98-G100 PolarHBondContact O-N 3.09Å
99V95.9Very high96.8Very high26 Ų2631 Ų3116%0.15816%0.159CC..  trans-9492.8-175.9-1750000110.8F13 N97 Y105F13-V99 HydrophobicContact CD1-CB 4.33Å; F13-V99 HydrophobicContact CD1-CG2 3.54Å; F13-V99 HydrophobicContact CD2-CG2 4.39Å; F13-V99 HydrophobicContact CE1-CB 4.1Å; F13-V99 HydrophobicContact CE1-CG2 3.47Å; F13-V99 VanDerWaalsContact CE1-CG2 3.47Å; F13-V99 HydrophobicContact CE2-CG2 4.31Å; F13-V99 HydrophobicContact CG-CG2 4.02Å; F13-V99 HydrophobicContact CZ-CG2 3.88Å; N97-V99 WeakPolarHBondContact OD1-CB 3.46Å; N97-V99 PolarHBondContact OD1-N 3.47Å; V99-Y105 HydrophobicContact CG1-CG 4.4Å
100G90Very high96.8Very high38 Ų3831.1 Ų31.139%0.39216%0.159SC..SBendtrans-104.2168.6172.900000114.1C98C98-G100 PolarHBondContact O-N 3.09Å
101P93.2Very high96.8Very high15 Ų1530.5 Ų30.510%0.09716%0.157CC..  cis-68.6135.4-2.9-19.333.5000113R103 F104 Y105 K198P101-R103 VanDerWaalsContact C-N 3.34Å; P101-R103 PolarHBondContact O-N 3Å; P101-F104 HydrophobicContact CB-CD2 4.03Å; P101-F104 HydrophobicContact CB-CE2 4.42Å; P101-F104 HydrophobicContact CG-CD2 4.38Å; P101-F104 PolarHBondContact O-N 2.8Å; P101-Y105 WeakPolarHBondContact O-CD2 3.39Å; P101-Y105 PolarHBondContact O-N 3.46Å; P101-K198 HydrophobicContact CG-CB 4.25Å
102Y94.9Very high96.8Very high15 Ų1527.9 Ų27.96%0.05915%0.145CC..Hα-helixtrans-71.7-28.7-166.3-68.7-84.6000112.9N97 F104 Y105 G106 D122 I123 S124 E126 F129N97-Y102 PolarHBondContact O-OH 3.3Å; Y102-F104 PolarHBondContact O-N 3.48Å; Y102-F104 VanDerWaalsContact O-N 3.11Å; Y102-Y105 PolarHBondContact O-N 2.91Å; Y102-G106 WeakPolarHBondContact O-CA 3.37Å; Y102-G106 PolarHBondContact O-N 2.65Å; Y102-D122 HydrophobicContact CD1-CB 4.24Å; Y102-D122 HydrophobicContact CE1-CB 3.72Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; Y102-S124 VanDerWaalsContact CD2-CB 3.45Å; Y102-S124 WeakPolarHBondContact CD2-OG 3.33Å; Y102-E126 PolarHBondContact N-OE1 3.03Å; Y102-F129 HydrophobicContact CD1-CE1 4.38Å; Y102-F129 HydrophobicContact CG-CE1 4.36Å; Y102-F129 VanDerWaalsContact O-CD2 3.27Å; Y102-F129 WeakPolarHBondContact O-CD2 3.38Å; Y102-F129 WeakPolarHBondContact O-CE2 3.38Å
103R93.3Very high96.8Very high40 Ų4027.9 Ų27.915%0.15115%0.145CC..Hα-helixtrans-52.2-32.1171.3174.5-174.5-24.9-95-23.3113.8P101 E126 D206P101-R103 VanDerWaalsContact C-N 3.34Å; P101-R103 PolarHBondContact O-N 3Å; R103-E126 WeakPolarHBondContact CB-OE2 3.42Å; R103-E126 IonicContact CZ-OE2 2.66Å; R103-E126 PolarHBondContact N-OE2 3.17Å; R103-E126 IonicContact NE-OE2 3.41Å; R103-E126 PolarHBondContact NE-OE2 2.7Å; R103-E126 IonicContact NH2-OE2 3.82Å; R103-E126 PolarHBondContact NH2-OE2 3.02Å; R103-D206 IonicContact CZ-OD2 3.01Å; R103-D206 VanDerWaalsContact NH1-CB 3.3Å; R103-D206 IonicContact NH1-OD2 3Å; R103-D206 PolarHBondContact NH1-OD2 3.43Å
104F93.7Very high96.9Very high94 Ų9426 Ų2641%0.41213%0.134SC..Hα-helixtrans-100.5-34.5-177.5-54.6-57.7000112.5P101 Y102 Y202P101-F104 HydrophobicContact CB-CD2 4.03Å; P101-F104 HydrophobicContact CB-CE2 4.42Å; P101-F104 HydrophobicContact CG-CD2 4.38Å; P101-F104 PolarHBondContact O-N 2.8Å; Y102-F104 PolarHBondContact O-N 3.48Å; Y102-F104 VanDerWaalsContact O-N 3.11Å; F104-Y202 HydrophobicContact CE2-CD1 4.01Å; F104-Y202 AromaticContact CE2-CD2 3.63Å; F104-Y202 HydrophobicContact CE2-CD2 3.63Å; F104-Y202 HydrophobicContact CE2-CE1 4.16Å; F104-Y202 AromaticContact CE2-CE2 3.81Å; F104-Y202 HydrophobicContact CE2-CE2 3.81Å; F104-Y202 AromaticContact CE2-CG 3.74Å; F104-Y202 HydrophobicContact CE2-CG 3.74Å; F104-Y202 AromaticContact CZ-CD1 3.78Å; F104-Y202 HydrophobicContact CZ-CD1 3.78Å; F104-Y202 HydrophobicContact CZ-CD2 4.25Å; F104-Y202 HydrophobicContact CZ-CE1 4.03Å; F104-Y202 HydrophobicContact CZ-CE2 4.49Å; F104-Y202 AromaticContact CZ-CG 3.9Å; F104-Y202 HydrophobicContact CZ-CG 3.9Å
105Y95.8Very high96.9Very high99 Ų9930.2 Ų30.239%0.38815%0.153SC..Hα-helixtrans-117.5-11-168.2-54.8-51000114.3I79 V99 P101 Y102I79-Y105 WeakPolarHBondContact CD1-O 3.49Å; I79-Y105 HydrophobicContact CG1-CD1 4.17Å; I79-Y105 HydrophobicContact CG1-CG 4.47Å; I79-Y105 HydrophobicContact CG2-CD1 4.27Å; V99-Y105 HydrophobicContact CG1-CG 4.4Å; P101-Y105 WeakPolarHBondContact O-CD2 3.39Å; P101-Y105 PolarHBondContact O-N 3.46Å; Y102-Y105 PolarHBondContact O-N 2.91Å
106G97.3Very high96.8Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-76.9-41.2-175.100000113.6Y102 V109 I110Y102-G106 WeakPolarHBondContact O-CA 3.37Å; Y102-G106 PolarHBondContact O-N 2.65Å; G106-V109 PolarHBondContact O-N 3.31Å; G106-I110 PolarHBondContact O-N 3.32Å; G106-I110 VanDerWaalsContact O-N 3.13Å
107E97.9Very high96.8Very high51 Ų5133.1 Ų33.124%0.23818%0.175CC..Hα-helixtrans-62.2-44.8-174.3175.3170.8-161.400113.7V109 I110 K111 M133 K136 Y137E107-V109 PolarHBondContact O-N 3.31Å; E107-I110 PolarHBondContact O-N 2.85Å; E107-K111 PolarHBondContact O-N 3.45Å; E107-M133 HydrophobicContact CB-CE 3.8Å; E107-M133 HydrophobicContact CB-SD 3.82Å; E107-M133 HydrophobicContact CG-CE 3.89Å; E107-M133 HydrophobicContact CG-SD 4Å; E107-K136 WeakPolarHBondContact OE1-CD 3.5Å; E107-K136 VanDerWaalsContact OE1-CE 3.27Å; E107-K136 WeakPolarHBondContact OE1-CE 3.44Å; E107-K136 IonicContact OE1-NZ 3.97Å; E107-K136 PolarHBondContact OE1-NZ 3.33Å; E107-Y137 HydrophobicContact CG-CE2 3.93Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.49Å; E107-Y137 PolarHBondContact OE1-OH 2.85Å
108P98.4Very high96.8Very high52 Ų5233.1 Ų33.134%0.33818%0.175SC..Hα-helixtrans-57.1-36.6176.5-26.135.1000113.2I79 L85 A112I79-P108 HydrophobicContact CD1-CB 4.23Å; L85-P108 HydrophobicContact CD1-CB 3.83Å; P108-A112 WeakPolarHBondContact O-CB 3.21Å; P108-A112 PolarHBondContact O-N 3.26Å; P108-A112 VanDerWaalsContact O-N 3.08Å
109V98.6Very high96.8Very high1 Ų132.8 Ų32.81%0.00617%0.173CC..Hα-helixtrans-67.8-47177.5-173.40000110.7F13 I79 L85 V95 N97 G106 E107 K111 A112 C113F13-V109 HydrophobicContact CD1-CG1 4.29Å; F13-V109 HydrophobicContact CD1-CG2 3.96Å; F13-V109 HydrophobicContact CE1-CG2 3.64Å; I79-V109 HydrophobicContact CD1-CG2 3.43Å; I79-V109 VanDerWaalsContact CD1-CG2 3.43Å; L85-V109 HydrophobicContact CD2-CG2 4.19Å; V95-V109 HydrophobicContact CG1-CG1 4.33Å; N97-V109 HydrophobicContact CB-CG1 4.33Å; G106-V109 PolarHBondContact O-N 3.31Å; E107-V109 PolarHBondContact O-N 3.31Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 2.92Å; V109-A112 PolarHBondContact O-N 3.45Å; V109-C113 WeakPolarHBondContact O-CB 3.19Å; V109-C113 PolarHBondContact O-N 2.93Å; V109-C113 PolarHBondContact O-SG 3.09Å
110I98.5Very high97Very high1 Ų131.6 Ų31.61%0.00517%0.166CC..Hα-helixtrans-59.8-45.5178.1-73171.3000110.6G106 E107 C113 I114 F129 M133 Y137 I148G106-I110 PolarHBondContact O-N 3.32Å; G106-I110 VanDerWaalsContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 2.85Å; I110-C113 PolarHBondContact O-N 3.17Å; I110-I114 HydrophobicContact CG2-CD1 3.67Å; I110-I114 HydrophobicContact CG2-CG1 4.4Å; I110-I114 WeakPolarHBondContact O-CG1 3.5Å; I110-I114 PolarHBondContact O-N 3.16Å; I110-F129 HydrophobicContact CD1-CE1 4.4Å; I110-F129 HydrophobicContact CD1-CE2 4.22Å; I110-F129 HydrophobicContact CD1-CZ 3.57Å; I110-M133 HydrophobicContact CD1-CB 4.07Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.68Å; I110-M133 HydrophobicContact CG2-SD 4.49Å; I110-Y137 HydrophobicContact CG2-CD2 4.16Å; I110-Y137 HydrophobicContact CG2-CG 4.21Å; I110-I148 HydrophobicContact CD1-CG2 3.83Å; I110-I148 HydrophobicContact CG1-CG2 3.9Å; I110-I148 HydrophobicContact CG2-CD1 4.3Å; I110-I148 HydrophobicContact CG2-CG1 4.28Å; I110-I148 HydrophobicContact CG2-CG2 4.19Å
111K98.6Very high97.4Very high87 Ų8729.8 Ų29.838%0.37815%0.147SC..Hα-helixtrans-58.1-51.1177.6-179.3-179.2176-65.80111.3E107 V109 C113 I114 E115 Y137E107-K111 PolarHBondContact O-N 3.45Å; V109-K111 VanDerWaalsContact C-N 3.33Å; V109-K111 PolarHBondContact O-N 2.92Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 3.2Å; K111-I114 PolarHBondContact O-N 3.12Å; K111-E115 WeakPolarHBondContact CE-OE1 3.27Å; K111-E115 HydrophobicContact CG-CG 4.45Å; K111-E115 WeakPolarHBondContact CG-OE1 3.35Å; K111-E115 IonicContact NZ-OE1 3.18Å; K111-E115 PolarHBondContact NZ-OE1 3.22Å; K111-E115 IonicContact NZ-OE2 2.9Å; K111-E115 PolarHBondContact NZ-OE2 3.01Å; K111-E115 WeakPolarHBondContact O-CB 3.43Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; K111-Y137 HydrophobicContact CB-CE1 4.44Å
112A98.6Very high97.6Very high4 Ų429.2 Ų29.23%0.03314%0.143CC..Hα-helixtrans-61-40.7178.800000112L85 A89 P108 V109 N116L85-A112 HydrophobicContact CB-CB 3.72Å; A89-A112 HydrophobicContact CB-CB 4.43Å; A89-A112 WeakPolarHBondContact CB-O 3.23Å; P108-A112 WeakPolarHBondContact O-CB 3.21Å; P108-A112 PolarHBondContact O-N 3.26Å; P108-A112 VanDerWaalsContact O-N 3.08Å; V109-A112 PolarHBondContact O-N 3.45Å; A112-N116 WeakPolarHBondContact O-CB 3.3Å; A112-N116 PolarHBondContact O-N 3.16Å; A112-N116 PolarHBondContact O-ND2 2.86Å
113C98.8Very high97.7Very high0 Ų029.4 Ų29.40%015%0.145CC..Hα-helixtrans-61.5-49.7176.5-68.60000111.6V109 I110 K111 E115 N116 G117 A118 C120V109-C113 WeakPolarHBondContact O-CB 3.19Å; V109-C113 PolarHBondContact O-N 2.93Å; V109-C113 PolarHBondContact O-SG 3.09Å; I110-C113 PolarHBondContact O-N 3.17Å; K111-C113 VanDerWaalsContact C-N 3.32Å; K111-C113 PolarHBondContact O-N 3.2Å; C113-E115 PolarHBondContact O-N 3.13Å; C113-N116 CarbonylContact O-C 3.54Å; C113-N116 PolarHBondContact O-N 3.05Å; C113-G117 PolarHBondContact O-N 2.82Å; C113-A118 CarbonylContact C-O 3.54Å; C113-A118 HydrophobicContact CB-CB 4.15Å; C113-A118 WeakPolarHBondContact CB-O 3.37Å; C113-A118 PolarHBondContact O-N 2.88Å; C113-C120 HydrophobicContact CB-CB 4.15Å
114I98.7Very high97.8Very high7 Ų727.5 Ų27.54%0.03614%0.138CC..Hα-helixtrans-62.2-46.7179.3-65.8168.3000111.5I110 K111 N116 G117 Y137 K140 A141 K144 V146 I148I110-I114 HydrophobicContact CG2-CD1 3.67Å; I110-I114 HydrophobicContact CG2-CG1 4.4Å; I110-I114 WeakPolarHBondContact O-CG1 3.5Å; I110-I114 PolarHBondContact O-N 3.16Å; K111-I114 PolarHBondContact O-N 3.12Å; I114-N116 VanDerWaalsContact C-N 3.27Å; I114-N116 PolarHBondContact O-N 2.82Å; I114-G117 PolarHBondContact O-N 2.83Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; I114-K140 HydrophobicContact CG2-CB 4.17Å; I114-A141 HydrophobicContact CD1-CB 4.04Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; I114-K144 HydrophobicContact CG2-CB 4.4Å; I114-K144 HydrophobicContact CG2-CG 3.97Å; I114-K144 WeakPolarHBondContact O-CG 3.46Å; I114-V146 HydrophobicContact CB-CG2 4.44Å; I114-V146 HydrophobicContact CG1-CG2 4.01Å; I114-I148 HydrophobicContact CD1-CD1 4.37Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.9Å; I114-I148 HydrophobicContact CG1-CG1 4.09Å
115E98.3Very high97.8Very high88 Ų8824.1 Ų24.141%0.41113%0.129SC..Hα-helixtrans-63.3-36.1-177.3-74.2173.8175.300112K111 C113K111-E115 WeakPolarHBondContact CE-OE1 3.27Å; K111-E115 HydrophobicContact CG-CG 4.45Å; K111-E115 WeakPolarHBondContact CG-OE1 3.35Å; K111-E115 IonicContact NZ-OE1 3.18Å; K111-E115 PolarHBondContact NZ-OE1 3.22Å; K111-E115 IonicContact NZ-OE2 2.9Å; K111-E115 PolarHBondContact NZ-OE2 3.01Å; K111-E115 WeakPolarHBondContact O-CB 3.43Å; K111-E115 WeakPolarHBondContact O-CG 3.32Å; K111-E115 PolarHBondContact O-N 2.82Å; C113-E115 PolarHBondContact O-N 3.13Å
116N98.3Very high97.7Very high33 Ų3319.6 Ų19.618%0.17611%0.112CC..THydrogen-bonded Turntrans-101.114.1-178.7-61.1-81.9000113.6R6 D86 A89 K90 A112 C113 I114 A118R6-N116 PolarHBondContact NH1-O 3.29Å; R6-N116 VanDerWaalsContact NH1-O 3.11Å; R6-N116 PolarHBondContact NH2-O 3.02Å; D86-N116 PolarHBondContact OD1-ND2 3Å; A89-N116 HydrophobicContact CB-CB 3.84Å; K90-N116 WeakPolarHBondContact CE-OD1 3.36Å; K90-N116 HydrophobicContact CG-CB 3.95Å; K90-N116 VanDerWaalsContact CG-OD1 3.31Å; K90-N116 WeakPolarHBondContact CG-OD1 3.24Å; A112-N116 WeakPolarHBondContact O-CB 3.3Å; A112-N116 PolarHBondContact O-N 3.16Å; A112-N116 PolarHBondContact O-ND2 2.86Å; C113-N116 CarbonylContact O-C 3.54Å; C113-N116 PolarHBondContact O-N 3.05Å; I114-N116 VanDerWaalsContact C-N 3.27Å; I114-N116 PolarHBondContact O-N 2.82Å; N116-A118 PolarHBondContact O-N 2.97Å
117G97.6Very high97.6Very high27 Ų2720.9 Ų20.928%0.27812%0.12SC..THydrogen-bonded Turntrans70.123.5172.100000116R6 C113 I114 V146R6-G117 VanDerWaalsContact CZ-O 3.29Å; R6-G117 VanDerWaalsContact NH2-C 3.27Å; R6-G117 PolarHBondContact NH2-O 3.23Å; C113-G117 PolarHBondContact O-N 2.82Å; I114-G117 PolarHBondContact O-N 2.83Å; G117-V146 WeakPolarHBondContact O-CG1 3.37Å
118A98.5Very high97.4Very high0 Ų020 Ų200%012%0.116CC..  trans-96.5144.2172.700000111.3A89 A92 C113 N116A89-A118 HydrophobicContact CB-CB 4.43Å; A92-A118 WeakPolarHBondContact O-CB 3.18Å; C113-A118 CarbonylContact C-O 3.54Å; C113-A118 HydrophobicContact CB-CB 4.15Å; C113-A118 WeakPolarHBondContact CB-O 3.37Å; C113-A118 PolarHBondContact O-N 2.88Å; N116-A118 PolarHBondContact O-N 2.97Å
119S98.7Very high97.2Very high11 Ų1117.7 Ų17.78%0.07710%0.101CC..EExtended strand (participates in β ladder)trans-79.9155166.2-65.10000110.3T93 V94 V95 Y147T93-S119 PolarHBondContact O-N 3.16Å; V94-S119 CarbonylContact C-O 3.45Å; V94-S119 WeakPolarHBondContact CA-O 3.38Å; V95-S119 PolarHBondContact N-O 3.34Å; S119-Y147 CarbonylContact C-O 3.52Å; S119-Y147 WeakPolarHBondContact CA-O 3.45Å; S119-Y147 WeakPolarHBondContact CB-O 3.44Å; S119-Y147 PolarHBondContact OG-N 3.2Å
120C98.8Very high97.1Very high1 Ų117.9 Ų17.91%0.00710%0.102CC..EExtended strand (participates in β ladder)trans-134133.7-179.5-175.80000110.5V95 C113 Y147 I148 I149V95-C120 WeakPolarHBondContact O-CA 3.36Å; C113-C120 HydrophobicContact CB-CB 4.15Å; C120-Y147 PolarHBondContact N-O 3.31Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.59Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; C120-I149 PolarHBondContact O-N 3.4Å
121I98.8Very high97Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-121.6131.4173.7-62.2-175.8000107.8V94 V95 L96 N97 I149 M378 A381 A382V94-I121 HydrophobicContact CG1-CD1 4.09Å; V94-I121 HydrophobicContact CG1-CG1 4.04Å; V95-I121 PolarHBondContact O-N 3.13Å; L96-I121 HydrophobicContact CD2-CB 3.96Å; L96-I121 HydrophobicContact CD2-CD1 4.45Å; L96-I121 HydrophobicContact CD2-CG2 4.48Å; N97-I121 PolarHBondContact N-O 3.09Å; I121-I149 WeakPolarHBondContact CA-O 3.26Å; I121-I149 HydrophobicContact CG1-CB 4.31Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 3.99Å; I121-M378 WeakPolarHBondContact O-CE 3.43Å; I121-A381 HydrophobicContact CD1-CB 4.32Å; I121-A382 VanDerWaalsContact CD1-CA 3.48Å; I121-A382 HydrophobicContact CD1-CB 3.87Å
122D98.1Very high96.9Very high2 Ų217.7 Ų17.71%0.01110%0.103CC..EExtended strand (participates in β ladder)trans-124.7168.21757254.6000111.9N97 Y102 S124 I149 G150 S151 S152N97-D122 HydrophobicContact CB-CB 4.31Å; Y102-D122 HydrophobicContact CD1-CB 4.24Å; Y102-D122 HydrophobicContact CE1-CB 3.72Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 3.41Å; D122-I149 PolarHBondContact N-O 3.5Å; D122-I149 VanDerWaalsContact N-O 3.15Å; D122-G150 VanDerWaalsContact OD1-CA 3.29Å; D122-G150 WeakPolarHBondContact OD1-CA 3.47Å; D122-S151 PolarHBondContact O-N 3.33Å; D122-S151 PolarHBondContact OD1-N 3Å; D122-S152 WeakPolarHBondContact O-CA 3.21Å; D122-S152 WeakPolarHBondContact O-CB 3.5Å; D122-S152 PolarHBondContact O-N 3.01Å
123I97.3Very high96.8Very high19 Ų1917.7 Ų17.710%0.09710%0.103CC..  trans-112.332.9175.956.8170.3000111.1T19 Y102 G125 T374 M378T19-I123 HydrophobicContact CG2-CD1 3.44Å; T19-I123 VanDerWaalsContact CG2-CD1 3.44Å; Y102-I123 HydrophobicContact CE2-CG1 4.43Å; Y102-I123 WeakPolarHBondContact OH-CG1 3.45Å; I123-G125 PolarHBondContact O-N 3.09Å; I123-T374 HydrophobicContact CB-CG2 4.14Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.87Å; I123-M378 HydrophobicContact CG2-CB 3.87Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.81Å; I123-M378 HydrophobicContact CG2-SD 3.58Å; I123-M378 VanDerWaalsContact CG2-SD 3.58Å
124S95.7Very high96.7Very high0 Ų020.5 Ų20.50%012%0.116CC..  trans-70.3125.7-174.7-176.20000112.3Y102 D122 E126 F129 S151Y102-S124 VanDerWaalsContact CD2-CB 3.45Å; Y102-S124 WeakPolarHBondContact CD2-OG 3.33Å; D122-S124 WeakPolarHBondContact OD1-CB 3.32Å; D122-S124 PolarHBondContact OD1-N 3.41Å; S124-E126 PolarHBondContact OG-N 3.36Å; S124-F129 WeakPolarHBondContact OG-CD1 3.39Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 WeakPolarHBondContact O-CB 3.27Å; S124-S151 PolarHBondContact O-OG 2.95Å
125G92.9Very high96.6Very high23 Ų2324.4 Ų24.424%0.23714%0.137CC..  trans-94.721.6169.200000113.7I123 P127 S251I123-G125 PolarHBondContact O-N 3.09Å; G125-P127 VanDerWaalsContact O-CD 3.32Å; G125-P127 WeakPolarHBondContact O-CD 3.19Å; G125-S251 WeakPolarHBondContact CA-OG 3.35Å
126E94.3Very high96.5Very high5 Ų525.4 Ų25.42%0.02314%0.14CC..  trans-110.296.6-169.6-61.2-176.3-131.200112.6Y102 R103 S124 Q128 F129 L130Y102-E126 PolarHBondContact N-OE1 3.03Å; R103-E126 WeakPolarHBondContact CB-OE2 3.42Å; R103-E126 IonicContact CZ-OE2 2.66Å; R103-E126 PolarHBondContact N-OE2 3.17Å; R103-E126 IonicContact NE-OE2 3.41Å; R103-E126 PolarHBondContact NE-OE2 2.7Å; R103-E126 IonicContact NH2-OE2 3.82Å; R103-E126 PolarHBondContact NH2-OE2 3.02Å; S124-E126 PolarHBondContact OG-N 3.36Å; E126-Q128 VanDerWaalsContact C-N 3.26Å; E126-Q128 PolarHBondContact O-N 2.85Å; E126-Q128 VanDerWaalsContact O-N 3.09Å; E126-F129 HydrophobicContact CB-CB 4.11Å; E126-F129 PolarHBondContact O-N 2.94Å; E126-F129 VanDerWaalsContact O-N 3.07Å; E126-L130 WeakPolarHBondContact O-CG 3.07Å; E126-L130 PolarHBondContact O-N 3.15Å
127P93.9Very high96.5Very high27 Ų2724.4 Ų24.418%0.17513%0.134CC..Hα-helixtrans-54.2-36.6-174.5-3136.8000115.4G125 L130 E131 L210G125-P127 VanDerWaalsContact O-CD 3.32Å; G125-P127 WeakPolarHBondContact O-CD 3.19Å; P127-L130 PolarHBondContact O-N 3.46Å; P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.42Å; P127-E131 WeakPolarHBondContact O-CG 3.4Å; P127-E131 PolarHBondContact O-N 2.71Å; P127-L210 HydrophobicContact CB-CD1 4.3Å; P127-L210 HydrophobicContact CB-CD2 4.07Å
128Q93.9Very high96.5Very high31 Ų3125.6 Ų25.615%0.14513%0.131CC..Hα-helixtrans-66.3-42-179.5-177.4-102.9-100112E126 L132 D206 L210E126-Q128 VanDerWaalsContact C-N 3.26Å; E126-Q128 PolarHBondContact O-N 2.85Å; E126-Q128 VanDerWaalsContact O-N 3.09Å; Q128-L132 WeakPolarHBondContact O-CB 3.48Å; Q128-L132 PolarHBondContact O-N 3.34Å; Q128-L132 VanDerWaalsContact O-N 3.15Å; Q128-D206 PolarHBondContact NE2-OD2 3.32Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.36Å
129F95.5Very high96.5Very high5 Ų531.8 Ų31.82%0.02216%0.161CC..Hα-helixtrans-64.8-50.7173.3167.4-102.2000110.7Y102 I110 S124 E126 E131 L132 M133Y102-F129 HydrophobicContact CD1-CE1 4.38Å; Y102-F129 HydrophobicContact CG-CE1 4.36Å; Y102-F129 VanDerWaalsContact O-CD2 3.27Å; Y102-F129 WeakPolarHBondContact O-CD2 3.38Å; Y102-F129 WeakPolarHBondContact O-CE2 3.38Å; I110-F129 HydrophobicContact CD1-CE1 4.4Å; I110-F129 HydrophobicContact CD1-CE2 4.22Å; I110-F129 HydrophobicContact CD1-CZ 3.57Å; S124-F129 WeakPolarHBondContact OG-CD1 3.39Å; E126-F129 HydrophobicContact CB-CB 4.11Å; E126-F129 PolarHBondContact O-N 2.94Å; E126-F129 VanDerWaalsContact O-N 3.07Å; F129-E131 PolarHBondContact O-N 3.2Å; F129-L132 PolarHBondContact O-N 3.1Å; F129-M133 HydrophobicContact CD1-CG 4.48Å; F129-M133 HydrophobicContact CD2-CE 4.34Å; F129-M133 HydrophobicContact CD2-CG 3.83Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.15Å; F129-M133 HydrophobicContact CE2-CE 4.27Å; F129-M133 HydrophobicContact CE2-CG 3.42Å; F129-M133 VanDerWaalsContact CE2-CG 3.42Å; F129-M133 HydrophobicContact CE2-SD 3.74Å; F129-M133 HydrophobicContact CG-CG 4.35Å; F129-M133 HydrophobicContact CZ-CG 3.63Å; F129-M133 HydrophobicContact CZ-SD 4.31Å; F129-M133 VanDerWaalsContact O-CG 3.31Å; F129-M133 WeakPolarHBondContact O-CG 3.33Å; F129-M133 PolarHBondContact O-N 3.4Å
130L96Very high96.5Very high5 Ų537 Ų373%0.02618%0.182CC..Hα-helixtrans-59.4-46.5-176-66.3164.5000113.1E126 P127 Q134 S151 V255E126-L130 WeakPolarHBondContact O-CG 3.07Å; E126-L130 PolarHBondContact O-N 3.15Å; P127-L130 PolarHBondContact O-N 3.46Å; L130-Q134 PolarHBondContact O-N 2.94Å; L130-S151 WeakPolarHBondContact CD1-OG 3.42Å; L130-S151 VanDerWaalsContact CD2-OG 3.29Å; L130-S151 WeakPolarHBondContact CD2-OG 3.39Å; L130-V255 HydrophobicContact CD1-CG2 4.12Å
131E95.6Very high96.5Very high31 Ų3137 Ų3715%0.14518%0.182CC..Hα-helixtrans-69.7-34.6178.3-71.2175.9-141.300111.5P127 F129 L135 L213 R214 S254P127-E131 VanDerWaalsContact O-CB 3.32Å; P127-E131 WeakPolarHBondContact O-CB 3.42Å; P127-E131 WeakPolarHBondContact O-CG 3.4Å; P127-E131 PolarHBondContact O-N 2.71Å; F129-E131 PolarHBondContact O-N 3.2Å; E131-L135 WeakPolarHBondContact O-CB 3.25Å; E131-L135 PolarHBondContact O-N 3.12Å; E131-L213 HydrophobicContact CB-CD2 3.71Å; E131-R214 IonicContact OE1-CZ 3.87Å; E131-R214 IonicContact OE1-NE 3.79Å; E131-R214 PolarHBondContact OE1-NE 2.92Å; E131-R214 IonicContact OE1-NH2 3.28Å; E131-R214 PolarHBondContact OE1-NH2 3.25Å; E131-R214 WeakPolarHBondContact OE2-CG 3.33Å; E131-R214 IonicContact OE2-CZ 3.35Å; E131-R214 IonicContact OE2-NE 2.64Å; E131-R214 PolarHBondContact OE2-NE 3.43Å; E131-R214 IonicContact OE2-NH2 3Å; E131-S254 PolarHBondContact OE1-OG 3.22Å
132L96.1Very high96.4Very high52 Ų5238.1 Ų38.127%0.27219%0.191SC..Hα-helixtrans-68.8-43.5178.3178.265000111.2Q128 F129 Q134 L135 K136 L213Q128-L132 WeakPolarHBondContact O-CB 3.48Å; Q128-L132 PolarHBondContact O-N 3.34Å; Q128-L132 VanDerWaalsContact O-N 3.15Å; F129-L132 PolarHBondContact O-N 3.1Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.31Å; L132-L135 PolarHBondContact O-N 2.88Å; L132-K136 WeakPolarHBondContact O-CB 3.4Å; L132-K136 PolarHBondContact O-N 3.23Å; L132-L213 HydrophobicContact CB-CD1 4.44Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.91Å
133M97.7Very high96.4Very high4 Ų444 Ų442%0.0222%0.222CC..Hα-helixtrans-62.8-41.4178.9-67.1-56.397.900110.9E107 I110 F129 K136 Y137 V398E107-M133 HydrophobicContact CB-CE 3.8Å; E107-M133 HydrophobicContact CB-SD 3.82Å; E107-M133 HydrophobicContact CG-CE 3.89Å; E107-M133 HydrophobicContact CG-SD 4Å; I110-M133 HydrophobicContact CD1-CB 4.07Å; I110-M133 HydrophobicContact CD1-CG 3.51Å; I110-M133 HydrophobicContact CD1-SD 3.68Å; I110-M133 HydrophobicContact CG2-SD 4.49Å; F129-M133 HydrophobicContact CD1-CG 4.48Å; F129-M133 HydrophobicContact CD2-CE 4.34Å; F129-M133 HydrophobicContact CD2-CG 3.83Å; F129-M133 HydrophobicContact CD2-SD 4.35Å; F129-M133 HydrophobicContact CE1-CG 4.15Å; F129-M133 HydrophobicContact CE2-CE 4.27Å; F129-M133 HydrophobicContact CE2-CG 3.42Å; F129-M133 VanDerWaalsContact CE2-CG 3.42Å; F129-M133 HydrophobicContact CE2-SD 3.74Å; F129-M133 HydrophobicContact CG-CG 4.35Å; F129-M133 HydrophobicContact CZ-CG 3.63Å; F129-M133 HydrophobicContact CZ-SD 4.31Å; F129-M133 VanDerWaalsContact O-CG 3.31Å; F129-M133 WeakPolarHBondContact O-CG 3.33Å; F129-M133 PolarHBondContact O-N 3.4Å; M133-K136 PolarHBondContact O-N 3.44Å; M133-Y137 HydrophobicContact CE-CD2 4.42Å; M133-Y137 HydrophobicContact CE-CE2 4.09Å; M133-Y137 WeakPolarHBondContact O-CB 3.37Å; M133-Y137 PolarHBondContact O-N 2.97Å; M133-Y137 HydrophobicContact SD-CD2 3.83Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å; M133-V398 HydrophobicContact CB-CG1 4.49Å
134Q96.4Very high96.5Very high59 Ų5948.3 Ų48.328%0.27624%0.24SC..Hα-helixtrans-62.3-48.3174.3-175178.3-2.600111.8L130 L132 K136 H138 V398L130-Q134 PolarHBondContact O-N 2.94Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.31Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.71Å; Q134-H138 HydrophobicContact CG-CB 4.35Å; Q134-H138 WeakPolarHBondContact O-CB 3.25Å; Q134-H138 PolarHBondContact O-N 3.36Å; Q134-V398 HydrophobicContact CB-CB 4.23Å; Q134-V398 HydrophobicContact CB-CG1 3.9Å; Q134-V398 HydrophobicContact CG-CB 4.37Å; Q134-V398 HydrophobicContact CG-CG1 4.48Å
135L95.6Very high96.5Very high90 Ų9050.4 Ų50.447%0.47126%0.262SS..Hα-helixtrans-60-38.4-179.4-17764.7000112.5E131 L132 L213E131-L135 WeakPolarHBondContact O-CB 3.25Å; E131-L135 PolarHBondContact O-N 3.12Å; L132-L135 PolarHBondContact O-N 2.88Å; L135-L213 HydrophobicContact CD2-CD1 3.56Å
136K96.9Very high96.8Very high109 Ų10949.6 Ų49.647%0.47425%0.252SS..Hα-helixtrans-88.2-32.6-173.1-175.1169.9176.3-179.90114.1E107 L132 M133 Q134E107-K136 WeakPolarHBondContact OE1-CD 3.5Å; E107-K136 VanDerWaalsContact OE1-CE 3.27Å; E107-K136 WeakPolarHBondContact OE1-CE 3.44Å; E107-K136 IonicContact OE1-NZ 3.97Å; E107-K136 PolarHBondContact OE1-NZ 3.33Å; L132-K136 WeakPolarHBondContact O-CB 3.4Å; L132-K136 PolarHBondContact O-N 3.23Å; M133-K136 PolarHBondContact O-N 3.44Å; Q134-K136 VanDerWaalsContact C-N 3.28Å; Q134-K136 PolarHBondContact O-N 2.71Å
137Y98.3Very high97Very high12 Ų1251 Ų515%0.04726%0.258CS..Hα-helixtrans-122.7-4.3-165.1-66.3-75.6000115.3E107 I110 K111 I114 M133 E139 K140 A141E107-Y137 HydrophobicContact CG-CE2 3.93Å; E107-Y137 WeakPolarHBondContact OE1-CE2 3.49Å; E107-Y137 PolarHBondContact OE1-OH 2.85Å; I110-Y137 HydrophobicContact CG2-CD2 4.16Å; I110-Y137 HydrophobicContact CG2-CG 4.21Å; K111-Y137 HydrophobicContact CB-CE1 4.44Å; I114-Y137 HydrophobicContact CD1-CD1 3.71Å; I114-Y137 HydrophobicContact CD1-CG 3.91Å; M133-Y137 HydrophobicContact CE-CD2 4.42Å; M133-Y137 HydrophobicContact CE-CE2 4.09Å; M133-Y137 WeakPolarHBondContact O-CB 3.37Å; M133-Y137 PolarHBondContact O-N 2.97Å; M133-Y137 HydrophobicContact SD-CD2 3.83Å; M133-Y137 HydrophobicContact SD-CE2 3.78Å; Y137-E139 PolarHBondContact O-N 3.33Å; Y137-K140 HydrophobicContact CD1-CD 4.44Å; Y137-K140 PolarHBondContact O-N 2.73Å; Y137-A141 VanDerWaalsContact O-CB 3.31Å; Y137-A141 WeakPolarHBondContact O-CB 3.44Å; Y137-A141 PolarHBondContact O-N 3.06Å
138H97.8Very high97.2Very high51 Ų5149.8 Ų49.824%0.23625%0.25CC..Hα-helixtrans-54.5-55.9-178.6-176.983.2000112.4Q134 K140 A141 A142 V398Q134-H138 HydrophobicContact CG-CB 4.35Å; Q134-H138 WeakPolarHBondContact O-CB 3.25Å; Q134-H138 PolarHBondContact O-N 3.36Å; H138-K140 PolarHBondContact O-N 3.16Å; H138-A141 PolarHBondContact O-N 2.92Å; H138-A142 PolarHBondContact O-N 3.18Å; H138-V398 HydrophobicContact CB-CB 4.41Å; H138-V398 HydrophobicContact CB-CG2 4.49Å; H138-V398 PolarHBondContact ND1-N 2.98Å; H138-V398 PolarHBondContact ND1-O 3.49Å
139E98Very high97.5Very high131 Ų13148.3 Ų48.361%0.61224%0.243SC*.Hα-helixtrans-60.3-46.3179.9-58.8-54.8140.700112.3Y137 A141 A142 D143Y137-E139 PolarHBondContact O-N 3.33Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 2.91Å; E139-A142 WeakPolarHBondContact O-CA 3.31Å; E139-A142 WeakPolarHBondContact O-CB 3.32Å; E139-A142 PolarHBondContact O-N 3.27Å; E139-A142 VanDerWaalsContact O-N 3.1Å; E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 2.91Å
140K98.3Very high97.5Very high121 Ų12148.4 Ų48.453%0.52625%0.245SC..Hα-helixtrans-62.5-37.7-179.8-67.7-174.7177.9-174.60112.8I114 Y137 H138 K144I114-K140 HydrophobicContact CG2-CB 4.17Å; Y137-K140 HydrophobicContact CD1-CD 4.44Å; Y137-K140 PolarHBondContact O-N 2.73Å; H138-K140 PolarHBondContact O-N 3.16Å; K140-K144 WeakPolarHBondContact O-CB 3.38Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 3.41Å
141A98.6Very high97.6Very high0 Ų048.1 Ų48.10%024%0.243CC..Hα-helixtrans-70.2-37175.700000111.3I114 Y137 H138 E139 K144 G145 V146 I148 V398I114-A141 HydrophobicContact CD1-CB 4.04Å; I114-A141 HydrophobicContact CG1-CB 4.16Å; Y137-A141 VanDerWaalsContact O-CB 3.31Å; Y137-A141 WeakPolarHBondContact O-CB 3.44Å; Y137-A141 PolarHBondContact O-N 3.06Å; H138-A141 PolarHBondContact O-N 2.92Å; E139-A141 VanDerWaalsContact C-N 3.31Å; E139-A141 PolarHBondContact O-N 2.91Å; A141-K144 PolarHBondContact O-N 3.41Å; A141-G145 PolarHBondContact O-N 2.78Å; A141-V146 HydrophobicContact CB-CG2 4.01Å; A141-V146 PolarHBondContact O-N 3.33Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; A141-V398 HydrophobicContact CB-CG2 4.48Å
142A98.3Very high97.7Very high23 Ų2346.7 Ų46.719%0.1924%0.237CC..Hα-helixtrans-62.4-49.1173.300000112.2H138 E139 K144 G145 A395 G396H138-A142 PolarHBondContact O-N 3.18Å; E139-A142 WeakPolarHBondContact O-CA 3.31Å; E139-A142 WeakPolarHBondContact O-CB 3.32Å; E139-A142 PolarHBondContact O-N 3.27Å; E139-A142 VanDerWaalsContact O-N 3.1Å; A142-K144 PolarHBondContact O-N 3.26Å; A142-G145 PolarHBondContact O-N 3.27Å; A142-A395 HydrophobicContact CB-CB 4.47Å; A142-G396 WeakPolarHBondContact CA-O 3.44Å; A142-G396 WeakPolarHBondContact CB-O 3.26Å
143D98.2Very high97.7Very high126 Ų12644.2 Ų44.267%0.67422%0.224SC*.Hα-helixtrans-58.5-36.9177-69.3-22.7000112.2E139 G145E139-D143 VanDerWaalsContact O-CG 3.31Å; E139-D143 PolarHBondContact O-N 2.91Å; D143-G145 VanDerWaalsContact C-N 3.33Å
144K97.6Very high97.5Very high110 Ų11045.2 Ų45.248%0.47823%0.228SC..Hα-helixtrans-81.8-10.4177.3-72.1-71.3-172.6172.20113.7I114 K140 A141 A142 V146I114-K144 HydrophobicContact CG2-CB 4.4Å; I114-K144 HydrophobicContact CG2-CG 3.97Å; I114-K144 WeakPolarHBondContact O-CG 3.46Å; K140-K144 WeakPolarHBondContact O-CB 3.38Å; K140-K144 VanDerWaalsContact O-CG 3.29Å; K140-K144 WeakPolarHBondContact O-CG 3.39Å; K140-K144 PolarHBondContact O-N 3.41Å; A141-K144 PolarHBondContact O-N 3.41Å; A142-K144 PolarHBondContact O-N 3.26Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.41Å; K144-V146 HydrophobicContact CB-CG2 4.1Å; K144-V146 PolarHBondContact O-N 3.03Å
145G97.4Very high96.8Very high44 Ų4445 Ų4545%0.45423%0.229SC..THydrogen-bonded Turntrans65.827-176.400000114A141 A142 D143A141-G145 PolarHBondContact O-N 2.78Å; A142-G145 PolarHBondContact O-N 3.27Å; D143-G145 VanDerWaalsContact C-N 3.33Å
146V98.4Very high96.7Very high5 Ų540.7 Ų40.73%0.0321%0.206CC..  trans-109.2153.4178.9-60.80000111.4I114 G117 A141 K144 G396 G397I114-V146 HydrophobicContact CB-CG2 4.44Å; I114-V146 HydrophobicContact CG1-CG2 4.01Å; G117-V146 WeakPolarHBondContact O-CG1 3.37Å; A141-V146 HydrophobicContact CB-CG2 4.01Å; A141-V146 PolarHBondContact O-N 3.33Å; K144-V146 VanDerWaalsContact C-N 3.28Å; K144-V146 HydrophobicContact CB-CG1 4.41Å; K144-V146 HydrophobicContact CB-CG2 4.1Å; K144-V146 PolarHBondContact O-N 3.03Å; V146-G396 CarbonylContact O-C 3.47Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å; V146-G397 PolarHBondContact O-N 3.27Å
147Y98.8Very high96.8Very high36 Ų3635.6 Ų35.614%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-109.7127-178.7-60.1-92.9000110.5S119 C120 L385 L392 P393 A395 F399S119-Y147 CarbonylContact C-O 3.52Å; S119-Y147 WeakPolarHBondContact CA-O 3.45Å; S119-Y147 WeakPolarHBondContact CB-O 3.44Å; S119-Y147 PolarHBondContact OG-N 3.2Å; C120-Y147 PolarHBondContact N-O 3.31Å; Y147-L385 HydrophobicContact CD2-CD1 4.14Å; Y147-L385 HydrophobicContact CG-CD1 3.9Å; Y147-L392 HydrophobicContact CE1-CB 4.19Å; Y147-L392 HydrophobicContact CE1-CD1 4.38Å; Y147-L392 HydrophobicContact CE2-CD1 4.14Å; Y147-P393 HydrophobicContact CE1-CB 4.34Å; Y147-P393 PolarHBondContact OH-O 3.19Å; Y147-A395 WeakPolarHBondContact CE1-O 3.42Å; Y147-F399 HydrophobicContact CD1-CD2 4.02Å; Y147-F399 AromaticContact CD1-CE2 3.74Å; Y147-F399 HydrophobicContact CD1-CE2 3.74Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å
148I98.8Very high96.8Very high1 Ų135.2 Ų35.21%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-111.2109.6171.8-50.3-60.7000107.4I110 I114 C120 A141 G397 V398 F399I110-I148 HydrophobicContact CD1-CG2 3.83Å; I110-I148 HydrophobicContact CG1-CG2 3.9Å; I110-I148 HydrophobicContact CG2-CD1 4.3Å; I110-I148 HydrophobicContact CG2-CG1 4.28Å; I110-I148 HydrophobicContact CG2-CG2 4.19Å; I114-I148 HydrophobicContact CD1-CD1 4.37Å; I114-I148 HydrophobicContact CD1-CG1 4.12Å; I114-I148 HydrophobicContact CG1-CD1 3.9Å; I114-I148 HydrophobicContact CG1-CG1 4.09Å; C120-I148 HydrophobicContact CB-CD1 3.66Å; C120-I148 CarbonylContact O-C 3.59Å; C120-I148 WeakPolarHBondContact O-CA 3.46Å; A141-I148 HydrophobicContact CB-CG1 4.18Å; I148-G397 PolarHBondContact N-O 3.23Å; I148-V398 HydrophobicContact CB-CB 4.38Å; I148-V398 HydrophobicContact CB-CG1 4.36Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.23Å; I148-V398 HydrophobicContact CG2-CG1 4.35Å; I148-V398 HydrophobicContact CG2-CG2 4.41Å; I148-V398 CarbonylContact O-C 3.57Å; I148-V398 WeakPolarHBondContact O-CA 3.25Å; I148-F399 PolarHBondContact O-N 3.45Å
149I98.6Very high96.8Very high0 Ų032.8 Ų32.80%017%0.172CC..EExtended strand (participates in β ladder)trans-117.9103.1-173.7-47.1178.8000109.5C120 I121 D122 S152 L385 P401 A404 F405C120-I149 PolarHBondContact O-N 3.4Å; I121-I149 WeakPolarHBondContact CA-O 3.26Å; I121-I149 HydrophobicContact CG1-CB 4.31Å; D122-I149 PolarHBondContact N-O 3.5Å; D122-I149 VanDerWaalsContact N-O 3.15Å; I149-S152 WeakPolarHBondContact CG2-OG 3.47Å; I149-S152 PolarHBondContact O-OG 3.28Å; I149-L385 HydrophobicContact CD1-CD1 3.47Å; I149-L385 VanDerWaalsContact CD1-CD1 3.47Å; I149-L385 HydrophobicContact CG1-CD1 4.48Å; I149-P401 HydrophobicContact CG2-CG 4.47Å; I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.23Å; I149-A404 HydrophobicContact CG2-CB 4.34Å; I149-F405 HydrophobicContact CD1-CE1 3.99Å; I149-F405 HydrophobicContact CD1-CE2 3.72Å; I149-F405 HydrophobicContact CD1-CZ 3.29Å; I149-F405 HydrophobicContact CG2-CE2 3.97Å
150G97.1Very high96.8Very high6 Ų626.6 Ų26.66%0.06214%0.143CC..  trans-83.3160.9-179.700000112.8D122 S152 F399 P401D122-G150 VanDerWaalsContact OD1-CA 3.29Å; D122-G150 WeakPolarHBondContact OD1-CA 3.47Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 2.93Å; G150-F399 PolarHBondContact N-O 3.44Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.35Å; G150-P401 WeakPolarHBondContact O-CG 3.47Å
151S96.9Very high96.8Very high0 Ų020.8 Ų20.80%012%0.118CC..  trans58.831.8174.7-51.10000114.9D122 S124 L130 G153D122-S151 PolarHBondContact O-N 3.33Å; D122-S151 PolarHBondContact OD1-N 3Å; S124-S151 WeakPolarHBondContact O-CA 3.25Å; S124-S151 WeakPolarHBondContact O-CB 3.27Å; S124-S151 PolarHBondContact O-OG 2.95Å; L130-S151 WeakPolarHBondContact CD1-OG 3.42Å; L130-S151 VanDerWaalsContact CD2-OG 3.29Å; L130-S151 WeakPolarHBondContact CD2-OG 3.39Å; S151-G153 PolarHBondContact O-N 3.11Å
152S97.4Very high96.8Very high0 Ų020.8 Ų20.80%012%0.118CC..  trans-83.441.4179.7-57.20000112.5D122 I149 G150 I157 A377 M378D122-S152 WeakPolarHBondContact O-CA 3.21Å; D122-S152 WeakPolarHBondContact O-CB 3.5Å; D122-S152 PolarHBondContact O-N 3.01Å; I149-S152 WeakPolarHBondContact CG2-OG 3.47Å; I149-S152 PolarHBondContact O-OG 3.28Å; G150-S152 VanDerWaalsContact C-N 3.26Å; G150-S152 PolarHBondContact O-N 2.93Å; S152-I157 VanDerWaalsContact CA-CD1 3.49Å; S152-A377 CarbonylContact O-C 3.59Å; S152-M378 WeakPolarHBondContact O-CA 3.4Å; S152-M378 WeakPolarHBondContact O-CB 3.29Å; S152-M378 PolarHBondContact O-N 3.33Å; S152-M378 VanDerWaalsContact O-N 3.11Å
153G96.3Very high96.8Very high0 Ų019.7 Ų19.70%011%0.109CC..SBendtrans-125.9-163.8173.200000110.3S151 D155 S156 I157S151-G153 PolarHBondContact O-N 3.11Å; G153-D155 PolarHBondContact O-N 3.39Å; G153-S156 PolarHBondContact O-N 3.35Å; G153-I157 WeakPolarHBondContact O-CB 3.46Å; G153-I157 PolarHBondContact O-N 3.46Å
154F94.1Very high96.8Very high25 Ų2513.8 Ų13.811%0.118%0.077CC..THydrogen-bonded Turntrans-57.1-31.7169.2176.5-93.5000112S156 P158 L181 F336 A369 T374F154-S156 PolarHBondContact O-N 2.98Å; F154-P158 HydrophobicContact CD2-CG 3.89Å; F154-P158 HydrophobicContact CE2-CG 4.26Å; F154-P158 WeakPolarHBondContact O-CD 3.35Å; F154-L181 HydrophobicContact CE1-CD2 4.13Å; F154-L181 HydrophobicContact CE2-CD1 4.48Å; F154-L181 HydrophobicContact CZ-CD1 3.71Å; F154-L181 HydrophobicContact CZ-CD2 3.96Å; F154-F336 AromaticContact CD2-CD1 3.92Å; F154-F336 HydrophobicContact CD2-CD1 3.92Å; F154-F336 AromaticContact CD2-CE1 3.73Å; F154-F336 HydrophobicContact CD2-CE1 3.73Å; F154-F336 HydrophobicContact CD2-CE2 4.4Å; F154-F336 HydrophobicContact CD2-CG 4.36Å; F154-F336 AromaticContact CD2-CZ 3.99Å; F154-F336 HydrophobicContact CD2-CZ 3.99Å; F154-F336 HydrophobicContact CE2-CB 4.22Å; F154-F336 AromaticContact CE2-CD1 3.5Å; F154-F336 HydrophobicContact CE2-CD1 3.5Å; F154-F336 VanDerWaalsContact CE2-CD1 3.5Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.66Å; F154-F336 HydrophobicContact CE2-CE1 3.66Å; F154-F336 AromaticContact CE2-CE2 3.75Å; F154-F336 HydrophobicContact CE2-CE2 3.75Å; F154-F336 AromaticContact CE2-CG 3.49Å; F154-F336 HydrophobicContact CE2-CG 3.49Å; F154-F336 VanDerWaalsContact CE2-CG 3.49Å; F154-F336 AromaticContact CE2-CZ 3.78Å; F154-F336 HydrophobicContact CE2-CZ 3.78Å; F154-F336 HydrophobicContact CZ-CB 4.47Å; F154-F336 HydrophobicContact CZ-CD1 4.47Å; F154-F336 HydrophobicContact CZ-CD2 4.36Å; F154-F336 HydrophobicContact CZ-CG 4.19Å; F154-A369 HydrophobicContact CB-CB 4.39Å; F154-A369 WeakPolarHBondContact CB-O 3.4Å; F154-A369 HydrophobicContact CD1-CB 3.68Å; F154-A369 HydrophobicContact CD2-CB 3.67Å; F154-A369 HydrophobicContact CE1-CB 3.79Å; F154-A369 HydrophobicContact CE2-CB 3.8Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.85Å; F154-T374 WeakPolarHBondContact CB-OG1 3.49Å; F154-T374 PolarHBondContact N-OG1 2.93Å
155D81.4Confident96.8Very high55 Ų5510.6 Ų10.629%0.2946%0.062SC..THydrogen-bonded Turntrans-64.52.4-176.9-93.9-1.2000115.6G153 S251G153-D155 PolarHBondContact O-N 3.39Å; D155-S251 PolarHBondContact O-OG 3.38Å
156S94.4Very high96.9Very high0 Ų08.5 Ų8.50%04%0.041CC..THydrogen-bonded Turntrans-166.7-18.5154-75.70000115.7G153 F154 A159 D160 V255G153-S156 PolarHBondContact O-N 3.35Å; F154-S156 PolarHBondContact O-N 2.98Å; S156-A159 PolarHBondContact O-N 3.41Å; S156-A159 VanDerWaalsContact O-N 3.11Å; S156-D160 WeakPolarHBondContact O-CB 3.34Å; S156-D160 PolarHBondContact O-N 3.41Å; S156-V255 WeakPolarHBondContact OG-CB 3.45Å; S156-V255 VanDerWaalsContact OG-CG2 3.3Å; S156-V255 WeakPolarHBondContact OG-CG2 3.27Å
157I97.9Very high96.8Very high1 Ų19.8 Ų9.81%0.0055%0.045CC..Hα-helixtrans-53.8-51.2-176.4-83.5176.3000112.5S152 G153 A159 D160 L161 A377 A381 P401 L414S152-I157 VanDerWaalsContact CA-CD1 3.49Å; G153-I157 WeakPolarHBondContact O-CB 3.46Å; G153-I157 PolarHBondContact O-N 3.46Å; I157-A159 VanDerWaalsContact C-N 3.28Å; I157-A159 PolarHBondContact O-N 2.96Å; I157-D160 PolarHBondContact O-N 3.28Å; I157-L161 HydrophobicContact CG2-CD1 3.95Å; I157-L161 WeakPolarHBondContact O-CB 3.36Å; I157-L161 PolarHBondContact O-N 3.05Å; I157-A377 HydrophobicContact CB-CB 4.25Å; I157-A377 HydrophobicContact CD1-CB 3.81Å; I157-A377 HydrophobicContact CG2-CB 4.18Å; I157-A381 HydrophobicContact CD1-CB 4.22Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.62Å; I157-P401 HydrophobicContact CG1-CG 3.78Å; I157-L414 HydrophobicContact CG2-CD1 3.59Å
158P97.8Very high96.6Very high4 Ų413.3 Ų13.33%0.0267%0.066CC..Hα-helixtrans-58.5-39.3178.5-26.736.2000113F154 G162 F336 L338 F340 V364F154-P158 HydrophobicContact CD2-CG 3.89Å; F154-P158 HydrophobicContact CE2-CG 4.26Å; F154-P158 WeakPolarHBondContact O-CD 3.35Å; P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.48Å; P158-G162 PolarHBondContact O-N 2.94Å; P158-F336 HydrophobicContact CB-CE2 4.36Å; P158-F336 HydrophobicContact CG-CZ 4.23Å; P158-L338 HydrophobicContact CB-CD2 3.9Å; P158-F340 VanDerWaalsContact O-CZ 3.31Å; P158-F340 WeakPolarHBondContact O-CZ 3.37Å; P158-V364 HydrophobicContact CB-CG1 4.09Å
159A98.1Very high96.5Very high1 Ų119.1 Ų19.11%0.0089%0.092CC..Hα-helixtrans-72.1-42.8179.300000112.8S156 I157 V163 D252 Y274 L338S156-A159 PolarHBondContact O-N 3.41Å; S156-A159 VanDerWaalsContact O-N 3.11Å; I157-A159 VanDerWaalsContact C-N 3.28Å; I157-A159 PolarHBondContact O-N 2.96Å; A159-V163 WeakPolarHBondContact O-CG2 3.27Å; A159-V163 PolarHBondContact O-N 3.32Å; A159-D252 HydrophobicContact CB-CB 3.88Å; A159-D252 VanDerWaalsContact CB-CG 3.4Å; A159-D252 VanDerWaalsContact CB-OD2 3.27Å; A159-D252 WeakPolarHBondContact CB-OD2 3.32Å; A159-Y274 WeakPolarHBondContact CB-OH 3.17Å; A159-L338 HydrophobicContact CB-CD2 4.1Å
160D98.4Very high96.4Very high0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-76.7-53.1-172.8-160.524000111.5S156 I157 G162 V163 I164 V255 V256 T259 P401 G402S156-D160 WeakPolarHBondContact O-CB 3.34Å; S156-D160 PolarHBondContact O-N 3.41Å; I157-D160 PolarHBondContact O-N 3.28Å; D160-G162 VanDerWaalsContact C-N 3.34Å; D160-V163 PolarHBondContact O-N 3.46Å; D160-I164 PolarHBondContact O-N 2.86Å; D160-V255 HydrophobicContact CB-CG1 4.18Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.27Å; D160-V256 HydrophobicContact CB-CG2 4.34Å; D160-V256 WeakPolarHBondContact OD1-CA 3.29Å; D160-T259 WeakPolarHBondContact OD1-CB 3.39Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.39Å; D160-T259 PolarHBondContact OD1-OG1 3.02Å; D160-T259 PolarHBondContact OD2-OG1 2.91Å; D160-P401 WeakPolarHBondContact OD2-CD 3.31Å; D160-G402 WeakPolarHBondContact OD2-CA 3.42Å; D160-G402 PolarHBondContact OD2-N 3.17Å
161L98.4Very high96.1Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-70.2-31.1174-63.8-179.2000112.1I157 V163 I164 Y165 L410 I411 L414I157-L161 HydrophobicContact CG2-CD1 3.95Å; I157-L161 WeakPolarHBondContact O-CB 3.36Å; I157-L161 PolarHBondContact O-N 3.05Å; L161-V163 VanDerWaalsContact C-N 3.25Å; L161-V163 PolarHBondContact O-N 2.64Å; L161-I164 CarbonylContact O-C 3.42Å; L161-I164 WeakPolarHBondContact O-CA 3.41Å; L161-I164 WeakPolarHBondContact O-CB 3.39Å; L161-I164 PolarHBondContact O-N 3.26Å; L161-Y165 WeakPolarHBondContact O-CB 3.47Å; L161-Y165 PolarHBondContact O-N 3.27Å; L161-L410 HydrophobicContact CD1-CB 4.29Å; L161-L410 HydrophobicContact CD1-CD2 3.57Å; L161-L410 HydrophobicContact CD1-CG 3.7Å; L161-I411 HydrophobicContact CB-CD1 4.36Å; L161-I411 HydrophobicContact CB-CG1 4.13Å; L161-I411 HydrophobicContact CD1-CG1 4.18Å; L161-L414 HydrophobicContact CD1-CD1 3.9Å
162G98.3Very high95.9Very high0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-57.7-37174.200000112.8P158 D160 Y165 T166P158-G162 VanDerWaalsContact O-CA 3.27Å; P158-G162 WeakPolarHBondContact O-CA 3.48Å; P158-G162 PolarHBondContact O-N 2.94Å; D160-G162 VanDerWaalsContact C-N 3.34Å; G162-Y165 PolarHBondContact O-N 3.01Å; G162-T166 WeakPolarHBondContact O-CB 3.31Å; G162-T166 PolarHBondContact O-N 3.16Å; G162-T166 PolarHBondContact O-OG1 3.44Å
163V98.5Very high95.7Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-67.6-39.2172.9172.40000111.9A159 D160 L161 T166 R167 V177 V256 V272 Y274 F340A159-V163 WeakPolarHBondContact O-CG2 3.27Å; A159-V163 PolarHBondContact O-N 3.32Å; D160-V163 PolarHBondContact O-N 3.46Å; L161-V163 VanDerWaalsContact C-N 3.25Å; L161-V163 PolarHBondContact O-N 2.64Å; V163-T166 PolarHBondContact O-N 3.38Å; V163-R167 PolarHBondContact O-N 3.34Å; V163-V177 HydrophobicContact CG2-CB 4.5Å; V163-V177 HydrophobicContact CG2-CG1 4.2Å; V163-V256 HydrophobicContact CG2-CG1 4.18Å; V163-V272 HydrophobicContact CG1-CB 4.12Å; V163-V272 HydrophobicContact CG1-CG1 4.07Å; V163-V272 HydrophobicContact CG1-CG2 4.41Å; V163-Y274 HydrophobicContact CG2-CD2 3.66Å; V163-Y274 HydrophobicContact CG2-CE2 3.67Å; V163-F340 HydrophobicContact CG2-CD1 4.36Å; V163-F340 HydrophobicContact CG2-CE1 4.16Å
164I98.2Very high95.7Very high2 Ų229.7 Ų29.71%0.0115%0.154CC..Hα-helixtrans-63.3-46175.1-55.3-56000110.3D160 L161 R167 N168 T259 L263D160-I164 PolarHBondContact O-N 2.86Å; L161-I164 CarbonylContact O-C 3.42Å; L161-I164 WeakPolarHBondContact O-CA 3.41Å; L161-I164 WeakPolarHBondContact O-CB 3.39Å; L161-I164 PolarHBondContact O-N 3.26Å; I164-R167 WeakPolarHBondContact O-CB 3.34Å; I164-R167 PolarHBondContact O-N 3.16Å; I164-N168 PolarHBondContact O-N 2.9Å; I164-N168 PolarHBondContact O-OD1 3.04Å; I164-T259 HydrophobicContact CD1-CG2 4.11Å; I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å
165Y98.2Very high95.8Very high42 Ų4228.5 Ų28.517%0.16515%0.149CC..Hα-helixtrans-60-49.4175.6179.8-98.8000112L161 G162 R167 N168 K169 T362 I411 E421L161-Y165 WeakPolarHBondContact O-CB 3.47Å; L161-Y165 PolarHBondContact O-N 3.27Å; G162-Y165 PolarHBondContact O-N 3.01Å; Y165-R167 PolarHBondContact O-N 3.41Å; Y165-N168 PolarHBondContact O-N 2.94Å; Y165-N168 VanDerWaalsContact O-N 3.1Å; Y165-K169 HydrophobicContact CD1-CG 4.21Å; Y165-K169 HydrophobicContact CD2-CG 4.38Å; Y165-K169 HydrophobicContact CE1-CG 3.88Å; Y165-K169 HydrophobicContact CE2-CD 4.28Å; Y165-K169 HydrophobicContact CE2-CG 4.06Å; Y165-K169 HydrophobicContact CG-CG 4.46Å; Y165-K169 WeakPolarHBondContact O-CG 3.22Å; Y165-K169 PolarHBondContact O-N 3.07Å; Y165-K169 WeakPolarHBondContact OH-CE 3.06Å; Y165-T362 HydrophobicContact CD1-CG2 4.07Å; Y165-T362 HydrophobicContact CE1-CG2 3.9Å; Y165-I411 HydrophobicContact CD2-CG2 4.3Å; Y165-E421 VanDerWaalsContact CB-OE2 3.24Å; Y165-E421 WeakPolarHBondContact CB-OE2 3.29Å; Y165-E421 HydrophobicContact CD1-CB 4.06Å; Y165-E421 HydrophobicContact CD2-CB 4.05Å; Y165-E421 WeakPolarHBondContact CD2-OE2 3.41Å; Y165-E421 HydrophobicContact CE1-CB 4.03Å; Y165-E421 WeakPolarHBondContact CE1-OXT 3.35Å; Y165-E421 HydrophobicContact CE2-CB 4.03Å; Y165-E421 HydrophobicContact CG-CB 4.05Å; Y165-E421 PolarHBondContact OH-O 3.41Å; Y165-E421 PolarHBondContact OH-OXT 3.1Å
166T98.3Very high96.5Very high0 Ų026 Ų260%014%0.136CC..Hα-helixtrans-55.7-40.9175.7-55.20000111.3G162 V163 M170 L174 V177 I360 T362G162-T166 WeakPolarHBondContact O-CB 3.31Å; G162-T166 PolarHBondContact O-N 3.16Å; G162-T166 PolarHBondContact O-OG1 3.44Å; V163-T166 PolarHBondContact O-N 3.38Å; T166-M170 PolarHBondContact O-N 3.31Å; T166-L174 HydrophobicContact CG2-CD1 4.3Å; T166-L174 HydrophobicContact CG2-CD2 3.85Å; T166-V177 HydrophobicContact CG2-CG2 4.31Å; T166-I360 HydrophobicContact CG2-CG2 3.41Å; T166-I360 VanDerWaalsContact CG2-CG2 3.41Å; T166-T362 HydrophobicContact CG2-CG2 4.43Å; T166-T362 PolarHBondContact OG1-OG1 3.34Å
167R96.9Very high96.7Very high32 Ų3226 Ų2612%0.12114%0.136CC..Hα-helixtrans-62.7-50.5175.9-174.1-166.7-70.6152.1-22.5110.8V163 I164 Y165 K169 M170 L174 E269 S270V163-R167 PolarHBondContact O-N 3.34Å; I164-R167 WeakPolarHBondContact O-CB 3.34Å; I164-R167 PolarHBondContact O-N 3.16Å; Y165-R167 PolarHBondContact O-N 3.41Å; R167-K169 PolarHBondContact O-N 3.22Å; R167-M170 PolarHBondContact O-N 3.26Å; R167-M170 VanDerWaalsContact O-N 3.08Å; R167-L174 HydrophobicContact CB-CB 4.4Å; R167-L174 HydrophobicContact CB-CD2 3.81Å; R167-L174 HydrophobicContact CG-CB 4.24Å; R167-L174 HydrophobicContact CG-CD2 4.5Å; R167-E269 IonicContact CZ-OE2 2.71Å; R167-E269 IonicContact NH1-OE2 2.83Å; R167-E269 PolarHBondContact NH1-OE2 3.48Å; R167-E269 IonicContact NH2-OE2 3.11Å; R167-S270 PolarHBondContact NH2-O 2.83Å
168N95.8Very high96.7Very high110 Ų11027 Ų2759%0.58814%0.141SC*.Hα-helixtrans-64.5-26.8-176.3-67.2-8.2000112.9I164 Y165I164-N168 PolarHBondContact O-N 2.9Å; I164-N168 PolarHBondContact O-OD1 3.04Å; Y165-N168 PolarHBondContact O-N 2.94Å; Y165-N168 VanDerWaalsContact O-N 3.1Å
169K96.7Very high96.7Very high124 Ų12426.9 Ų26.954%0.53914%0.14SC..Hα-helixtrans-86-14.6175.6-63.6-58-176.4-175.60114.1Y165 R167 I360Y165-K169 HydrophobicContact CD1-CG 4.21Å; Y165-K169 HydrophobicContact CD2-CG 4.38Å; Y165-K169 HydrophobicContact CE1-CG 3.88Å; Y165-K169 HydrophobicContact CE2-CD 4.28Å; Y165-K169 HydrophobicContact CE2-CG 4.06Å; Y165-K169 HydrophobicContact CG-CG 4.46Å; Y165-K169 WeakPolarHBondContact O-CG 3.22Å; Y165-K169 PolarHBondContact O-N 3.07Å; Y165-K169 WeakPolarHBondContact OH-CE 3.06Å; R167-K169 PolarHBondContact O-N 3.22Å; K169-I360 HydrophobicContact CB-CD1 3.74Å
170M94.7Very high96.7Very high17 Ų1726.8 Ų26.88%0.08414%0.139CC..SBendtrans-82121.4179.5179.1167.2-89.800110.6T166 R167 G172 L174 I358 I360T166-M170 PolarHBondContact O-N 3.31Å; R167-M170 PolarHBondContact O-N 3.26Å; R167-M170 VanDerWaalsContact O-N 3.08Å; M170-G172 VanDerWaalsContact C-N 3.26Å; M170-G172 PolarHBondContact O-N 2.79Å; M170-L174 HydrophobicContact CE-CD1 3.79Å; M170-L174 WeakPolarHBondContact SD-CA 3.42Å; M170-L174 HydrophobicContact SD-CB 3.68Å; M170-L174 HydrophobicContact SD-CD1 3.64Å; M170-L174 HydrophobicContact SD-CG 4.27Å; M170-I358 HydrophobicContact CE-CD1 3.82Å; M170-I358 HydrophobicContact CE-CG1 3.86Å; M170-I358 HydrophobicContact CG-CD1 3.46Å; M170-I358 VanDerWaalsContact CG-CD1 3.46Å; M170-I358 HydrophobicContact SD-CD1 3.42Å; M170-I358 WeakPolarHBondContact SD-CD1 3.28Å; M170-I358 HydrophobicContact SD-CG1 3.99Å; M170-I360 HydrophobicContact CB-CD1 4.35Å; M170-I360 HydrophobicContact CE-CB 3.89Å; M170-I360 HydrophobicContact CE-CG2 3.51Å
171N92.2Very high96.7Very high133 Ų13327.5 Ų27.571%0.71114%0.143SC*.SBendtrans-77.676.2171.4-171.123.5000111
172G92Very high96.6Very high26 Ų2628.9 Ų28.927%0.26815%0.151SC..EExtended strand (participates in β ladder)trans154-160.6-174.700000112.3M170 Y345M170-G172 VanDerWaalsContact C-N 3.26Å; M170-G172 PolarHBondContact O-N 2.79Å; G172-Y345 CarbonylContact C-O 3.48Å; G172-Y345 VanDerWaalsContact CA-O 3.22Å; G172-Y345 WeakPolarHBondContact CA-O 3.25Å
173T93.6Very high96.5Very high49 Ų4931.9 Ų31.930%0.30117%0.167SC..EExtended strand (participates in β ladder)trans-99111.2177.3-56.20000110.3T175 G344 Y345T173-T175 HydrophobicContact CG2-CG2 4.09Å; T173-G344 CarbonylContact O-C 3.48Å; T173-G344 WeakPolarHBondContact O-CA 3.44Å; T173-Y345 PolarHBondContact N-O 3.39Å; T173-Y345 PolarHBondContact O-N 3.13Å
174L96.1Very high96.3Very high2 Ų235.6 Ų35.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-72.9127.4170.6-175.967.4000109.9T166 R167 M170 V177 V272 I360T166-L174 HydrophobicContact CG2-CD1 4.3Å; T166-L174 HydrophobicContact CG2-CD2 3.85Å; R167-L174 HydrophobicContact CB-CB 4.4Å; R167-L174 HydrophobicContact CB-CD2 3.81Å; R167-L174 HydrophobicContact CG-CB 4.24Å; R167-L174 HydrophobicContact CG-CD2 4.5Å; M170-L174 HydrophobicContact CE-CD1 3.79Å; M170-L174 WeakPolarHBondContact SD-CA 3.42Å; M170-L174 HydrophobicContact SD-CB 3.68Å; M170-L174 HydrophobicContact SD-CD1 3.64Å; M170-L174 HydrophobicContact SD-CG 4.27Å; L174-V177 HydrophobicContact CD1-CG2 3.92Å; L174-V177 HydrophobicContact CD2-CG2 3.61Å; L174-V177 HydrophobicContact CG-CG2 4Å; L174-V272 HydrophobicContact CB-CG2 4.34Å; L174-V272 HydrophobicContact CD2-CG1 4.15Å; L174-V272 HydrophobicContact CD2-CG2 4.04Å; L174-V272 HydrophobicContact CG-CG1 4.11Å; L174-V272 HydrophobicContact CG-CG2 4.09Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å
175T95.7Very high96.1Very high1 Ų138.7 Ų38.71%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-119.8-24.5-176.256.50000114T173 I225 Q273 Q343 Y345T173-T175 HydrophobicContact CG2-CG2 4.09Å; T175-I225 HydrophobicContact CG2-CB 4.24Å; T175-I225 HydrophobicContact CG2-CG2 3.7Å; T175-Q273 WeakPolarHBondContact O-CB 3.48Å; T175-Q273 PolarHBondContact O-N 2.77Å; T175-Q343 PolarHBondContact N-O 3.2Å; T175-Q343 PolarHBondContact OG1-O 2.66Å; T175-Y345 HydrophobicContact CG2-CD2 3.68Å; T175-Y345 HydrophobicContact CG2-CE2 3.73Å
176A97Very high95.9Very high1 Ų137.3 Ų37.31%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-150.8147.8174.600000112.3L229 Q273 G342 Q343A176-L229 HydrophobicContact CB-CB 4.24Å; A176-L229 HydrophobicContact CB-CD1 4.11Å; A176-L229 HydrophobicContact CB-CD2 4.35Å; A176-L229 HydrophobicContact CB-CG 4.46Å; A176-Q273 CarbonylContact C-O 3.55Å; A176-Q273 VanDerWaalsContact CA-O 3.22Å; A176-Q273 WeakPolarHBondContact CA-O 3.48Å; A176-Q273 HydrophobicContact CB-CB 3.98Å; A176-G342 CarbonylContact O-C 3.54Å; A176-G342 WeakPolarHBondContact O-CA 3.41Å; A176-Q343 HydrophobicContact CB-CG 3.77Å; A176-Q343 PolarHBondContact N-O 3.45Å; A176-Q343 VanDerWaalsContact N-O 3.12Å; A176-Q343 PolarHBondContact O-N 2.8Å
177V98.1Very high95.6Very high0 Ų043.8 Ų43.80%025%0.246CC..EExtended strand (participates in β ladder)trans-136.9133.4178.4174.20000110V163 T166 L174 V272 Q273 Y274 A275 F340 F341V163-V177 HydrophobicContact CG2-CB 4.5Å; V163-V177 HydrophobicContact CG2-CG1 4.2Å; T166-V177 HydrophobicContact CG2-CG2 4.31Å; L174-V177 HydrophobicContact CD1-CG2 3.92Å; L174-V177 HydrophobicContact CD2-CG2 3.61Å; L174-V177 HydrophobicContact CG-CG2 4Å; V177-V272 HydrophobicContact CB-CG1 4.14Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å; V177-Q273 PolarHBondContact N-O 2.77Å; V177-Y274 HydrophobicContact CB-CD2 4.24Å; V177-Y274 HydrophobicContact CG1-CD2 4.15Å; V177-Y274 HydrophobicContact CG1-CE2 4.29Å; V177-Y274 WeakPolarHBondContact O-CA 3.11Å; V177-A275 PolarHBondContact O-N 2.73Å; V177-F340 HydrophobicContact CG1-CB 4.08Å; V177-F340 HydrophobicContact CG1-CD1 3.69Å; V177-F340 HydrophobicContact CG1-CG 4.39Å; V177-F341 WeakPolarHBondContact CA-O 3.38Å
178E98.1Very high95.3Very high23 Ų2348.2 Ų48.211%0.10727%0.269CS..EExtended strand (participates in β ladder)trans-107.9127.2162.8-61-168.8107.800109.2F180 L229 R232 A275 Y277 F340 F341E178-F180 HydrophobicContact CB-CD2 4.49Å; E178-F180 HydrophobicContact CB-CE2 3.64Å; E178-F180 HydrophobicContact CB-CZ 4.29Å; E178-L229 HydrophobicContact CG-CD1 4.05Å; E178-L229 HydrophobicContact CG-CD2 4.44Å; E178-R232 WeakPolarHBondContact OE1-CD 3.36Å; E178-R232 IonicContact OE1-NE 3.36Å; E178-R232 PolarHBondContact OE1-NE 2.91Å; E178-R232 IonicContact OE2-CZ 3.34Å; E178-R232 IonicContact OE2-NE 3.85Å; E178-R232 PolarHBondContact OE2-NE 3.19Å; E178-R232 IonicContact OE2-NH2 2.92Å; E178-R232 PolarHBondContact OE2-NH2 3.01Å; E178-A275 CarbonylContact C-O 3.49Å; E178-A275 VanDerWaalsContact CA-O 3.32Å; E178-A275 WeakPolarHBondContact CA-O 3.31Å; E178-A275 HydrophobicContact CG-CB 4.44Å; E178-Y277 HydrophobicContact CB-CD2 4.46Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.1Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.29Å; E178-Y277 PolarHBondContact OE1-OH 3.45Å; E178-F340 WeakPolarHBondContact O-CA 3.47Å; E178-F341 PolarHBondContact N-O 2.93Å; E178-F341 PolarHBondContact O-N 3.42Å
179S98.1Very high95.1Very high1 Ų144.2 Ų44.21%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-10414717369.20000112Y274 A275 A276 Y277 T339S179-Y274 WeakPolarHBondContact CB-OH 3.31Å; S179-Y274 VanDerWaalsContact OG-CZ 3.28Å; S179-Y274 PolarHBondContact OG-OH 3.42Å; S179-A275 PolarHBondContact N-O 3.19Å; S179-A276 WeakPolarHBondContact OG-CA 3.46Å; S179-Y277 WeakPolarHBondContact O-CD2 3.4Å; S179-Y277 PolarHBondContact O-N 3.22Å; S179-T339 CarbonylContact C-O 3.58Å; S179-T339 VanDerWaalsContact CA-O 3.27Å; S179-T339 WeakPolarHBondContact CA-O 3.13Å
180F98Very high94.8Very high0 Ų040.9 Ų40.90%024%0.241CC..EExtended strand (participates in β ladder)trans-133.8108.5-178.3-67.6-97.2000109.9E178 C238 L241 Y277 L338 T339 F341E178-F180 HydrophobicContact CB-CD2 4.49Å; E178-F180 HydrophobicContact CB-CE2 3.64Å; E178-F180 HydrophobicContact CB-CZ 4.29Å; F180-C238 HydrophobicContact CE1-CB 4.16Å; F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.92Å; F180-L241 HydrophobicContact CD2-CD1 4.38Å; F180-L241 HydrophobicContact CG-CD1 3.63Å; F180-Y277 CarbonylContact C-O 3.13Å; F180-Y277 WeakPolarHBondContact CA-O 3.49Å; F180-Y277 HydrophobicContact CD1-CD2 4.38Å; F180-Y277 HydrophobicContact CD1-CG 4.4Å; F180-Y277 AromaticContact CE1-CD2 3.85Å; F180-Y277 HydrophobicContact CE1-CD2 3.85Å; F180-Y277 AromaticContact CE1-CG 3.99Å; F180-Y277 HydrophobicContact CE1-CG 3.99Å; F180-Y277 HydrophobicContact CE2-CD2 4.16Å; F180-Y277 AromaticContact CZ-CD2 3.72Å; F180-Y277 HydrophobicContact CZ-CD2 3.72Å; F180-Y277 HydrophobicContact CZ-CE2 4.2Å; F180-Y277 HydrophobicContact CZ-CG 4.32Å; F180-L338 WeakPolarHBondContact O-CA 3.36Å; F180-T339 PolarHBondContact N-O 3.12Å; F180-T339 PolarHBondContact O-N 2.97Å; F180-F341 AromaticContact CD2-CD2 3.59Å; F180-F341 HydrophobicContact CD2-CD2 3.59Å; F180-F341 AromaticContact CD2-CE2 3.79Å; F180-F341 HydrophobicContact CD2-CE2 3.79Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CE2 4.03Å
181L97.6Very high94.7Very high14 Ų1440.8 Ų40.87%0.07324%0.242CC..EExtended strand (participates in β ladder)trans-82.7125.8175.7177.257.7000110.6F154 I183 Y277 V278 T279 F336 L338F154-L181 HydrophobicContact CE1-CD2 4.13Å; F154-L181 HydrophobicContact CE2-CD1 4.48Å; F154-L181 HydrophobicContact CZ-CD1 3.71Å; F154-L181 HydrophobicContact CZ-CD2 3.96Å; L181-I183 HydrophobicContact CD1-CD1 3.81Å; L181-I183 HydrophobicContact CD2-CD1 4.12Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.05Å; L181-I183 HydrophobicContact CG-CG1 4.37Å; L181-Y277 PolarHBondContact N-O 3.23Å; L181-V278 HydrophobicContact CB-CG2 4.4Å; L181-V278 CarbonylContact O-C 3.59Å; L181-V278 WeakPolarHBondContact O-CA 3.14Å; L181-T279 PolarHBondContact O-N 3.37Å; L181-F336 HydrophobicContact CD1-CB 4.1Å; L181-F336 HydrophobicContact CD1-CD2 4.42Å; L181-L338 HydrophobicContact CB-CD1 3.85Å; L181-L338 HydrophobicContact CD1-CD1 4.44Å
182T96.6Very high94.8Very high29 Ų2937.3 Ų37.318%0.17822%0.223CC..EExtended strand (participates in β ladder)trans-118.3124168.4-550000108.3T279 F336 T337T182-T279 WeakPolarHBondContact OG1-CB 3.25Å; T182-T279 PolarHBondContact OG1-OG1 3.05Å; T182-F336 CarbonylContact O-C 3.29Å; T182-F336 WeakPolarHBondContact O-CA 3.38Å; T182-T337 PolarHBondContact N-O 3.11Å; T182-T337 PolarHBondContact O-N 3.45Å
183I95.4Very high94.9Very high64 Ų6437.8 Ų37.833%0.32822%0.218SC..EExtended strand (participates in β ladder)trans-97.8129.6171.5-55.7-62000108.3L181 L190 F336L181-I183 HydrophobicContact CD1-CD1 3.81Å; L181-I183 HydrophobicContact CD2-CD1 4.12Å; L181-I183 HydrophobicContact CD2-CG1 4.49Å; L181-I183 HydrophobicContact CG-CD1 4.05Å; L181-I183 HydrophobicContact CG-CG1 4.37Å; I183-L190 HydrophobicContact CB-CD1 4.38Å; I183-L190 HydrophobicContact CG2-CD1 3.51Å; I183-L190 HydrophobicContact CG2-CD2 3.97Å; I183-L190 HydrophobicContact CG2-CG 4.39Å; I183-F336 HydrophobicContact CD1-CB 3.81Å
184H95.4Very high94.9Very high78 Ų7836 Ų3636%0.36121%0.206SC..EExtended strand (participates in β ladder)trans-104.6130.1175-51.6-73.3000108.5A334 S335 T337H184-A334 VanDerWaalsContact O-CA 3.29Å; H184-A334 WeakPolarHBondContact O-CA 3.32Å; H184-S335 PolarHBondContact N-O 2.85Å; H184-S335 PolarHBondContact O-N 2.84Å; H184-T337 PolarHBondContact NE2-OG1 3.07Å; H184-T337 VanDerWaalsContact NE2-OG1 3.07Å
185S94.1Very high94.6Very high67 Ų6737.2 Ų37.247%0.46922%0.219SC..  trans-118.1148-178.265.90000111.5L190S185-L190 VanDerWaalsContact CB-CG 3.42Å
186G92.9Very high94.3Very high13 Ų1340 Ų4013%0.13424%0.237CC..BIsolated β-bridgetrans-73.3-179.2168.600000113.8E188 G189 A333G186-E188 PolarHBondContact O-N 2.75Å; G186-G189 PolarHBondContact O-N 3.39Å; G186-A333 PolarHBondContact N-O 2.99Å
187P92.6Very high94.2Very high135 Ų13541 Ų4188%0.87724%0.24SC*.THydrogen-bonded Turntrans-57.6-29.6178.3-24.834.5000114.2G189P187-G189 PolarHBondContact O-N 2.62Å
188E90.7Very high93.9Very high126 Ų12643.6 Ų43.659%0.58925%0.251SS*.THydrogen-bonded Turntrans-79.63.7178.6-58.7-63.115400113.2G186 Q330G186-E188 PolarHBondContact O-N 2.75Å; E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.94Å
189G91.5Very high93.5Very high26 Ų2643.8 Ų43.827%0.26826%0.255SS..BIsolated β-bridgetrans71.9-156.2-179.300000113.9G186 P187G186-G189 PolarHBondContact O-N 3.39Å; P187-G189 PolarHBondContact O-N 2.62Å
190L90.9Very high93.2Very high54 Ų5445.2 Ų45.228%0.28327%0.267SS..  trans-122.6148.2-179.5-65163.3000110.1I183 S185 A334I183-L190 HydrophobicContact CB-CD1 4.38Å; I183-L190 HydrophobicContact CG2-CD1 3.51Å; I183-L190 HydrophobicContact CG2-CD2 3.97Å; I183-L190 HydrophobicContact CG2-CG 4.39Å; S185-L190 VanDerWaalsContact CB-CG 3.42Å; L190-A334 HydrophobicContact CD2-CB 3.83Å
191S92.6Very high92.9Very high15 Ų1545.2 Ų45.211%0.10527%0.267CS..  trans-145.6148.3167.2-162.10000110.2Y320 P326S191-Y320 CarbonylContact C-O 3.52Å; S191-Y320 WeakPolarHBondContact CA-O 3.43Å; S191-P326 WeakPolarHBondContact O-CB 3.46Å; S191-P326 WeakPolarHBondContact O-CG 3.07Å
192I93.6Very high92.6Very high59 Ų5947.8 Ų47.830%0.30328%0.276SS..EExtended strand (participates in β ladder)trans-128.5142.1-179.9-55.1174.1000107.7T196 Y320 F321 S322 Y371I192-T196 HydrophobicContact CG2-CG2 4.29Å; I192-Y320 PolarHBondContact N-O 2.97Å; I192-F321 HydrophobicContact CB-CD1 3.64Å; I192-F321 HydrophobicContact CB-CE1 3.63Å; I192-F321 HydrophobicContact CB-CG 4.49Å; I192-F321 HydrophobicContact CB-CZ 4.44Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4.07Å; I192-F321 HydrophobicContact CG1-CE1 4.4Å; I192-F321 HydrophobicContact CG2-CD1 3.84Å; I192-F321 HydrophobicContact CG2-CE1 3.57Å; I192-F321 CarbonylContact O-C 3.55Å; I192-F321 WeakPolarHBondContact O-CA 3.45Å; I192-S322 PolarHBondContact O-N 3.42Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.41Å
193H95.1Very high92.2Very high37 Ų3747.6 Ų47.617%0.17128%0.28CS..EExtended strand (participates in β ladder)trans-64.2147.8176-176-94.3000112F18 G195 T196 S322 K323 Y371F18-H193 HydrophobicContact CB-CB 4.49Å; F18-H193 HydrophobicContact CD1-CB 3.54Å; F18-H193 AromaticContact CD1-CD2 3.96Å; F18-H193 AromaticContact CD1-CG 3.71Å; F18-H193 AromaticContact CD2-CD2 3.49Å; F18-H193 VanDerWaalsContact CD2-CD2 3.49Å; F18-H193 WeakPolarHBondContact CD2-CD2 3.42Å; F18-H193 HydrophobicContact CE1-CB 3.86Å; F18-H193 HydrophobicContact CG-CB 3.94Å; F18-H193 AromaticContact CG-CD2 3.4Å; F18-H193 VanDerWaalsContact CG-CD2 3.4Å; F18-H193 WeakPolarHBondContact CG-CD2 3.4Å; F18-H193 AromaticContact CG-CG 3.56Å; F18-H193 AromaticContact CG-NE2 3.97Å; H193-G195 PolarHBondContact ND1-N 2.78Å; H193-G195 VanDerWaalsContact ND1-N 3.2Å; H193-G195 PolarHBondContact O-N 2.86Å; H193-T196 PolarHBondContact O-N 3.41Å; H193-S322 CarbonylContact C-O 3.58Å; H193-S322 WeakPolarHBondContact CA-O 3.36Å; H193-K323 PolarHBondContact CD2-O 2.98Å; H193-K323 PolarHBondContact NE2-O 3.41Å; H193-Y371 HydrophobicContact CB-CE1 4.44Å; H193-Y371 VanDerWaalsContact CB-OH 3.32Å; H193-Y371 WeakPolarHBondContact CB-OH 3.45Å; H193-Y371 PolarHBondContact N-OH 2.95Å
194D92.9Very high91.8Very high11 Ų1146.6 Ų46.66%0.05927%0.274CS..Hα-helixtrans-62.8-12.4-17486.5-16.1000114.9W197 K198 P313 S322 K323D194-W197 WeakPolarHBondContact O-CB 3.45Å; D194-W197 PolarHBondContact O-N 3.32Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 3.15Å; D194-K198 IonicContact OD1-NZ 2.9Å; D194-K198 PolarHBondContact OD1-NZ 2.87Å; D194-K198 VanDerWaalsContact OD1-NZ 3.11Å; D194-K198 VanDerWaalsContact OD2-CE 3.26Å; D194-K198 WeakPolarHBondContact OD2-CE 3.05Å; D194-K198 IonicContact OD2-NZ 2.76Å; D194-K198 PolarHBondContact OD2-NZ 3.37Å; D194-P313 HydrophobicContact CB-CB 4.31Å; D194-P313 HydrophobicContact CB-CG 4.15Å; D194-S322 PolarHBondContact N-O 3.27Å; D194-K323 HydrophobicContact CB-CG 4.36Å
195G89.8Confident91.3Very high27 Ų2744.6 Ų44.628%0.27827%0.274SS..Hα-helixtrans-60.5-44.9174.900000112.2H193 W197 K198 S199H193-G195 PolarHBondContact ND1-N 2.78Å; H193-G195 VanDerWaalsContact ND1-N 3.2Å; H193-G195 PolarHBondContact O-N 2.86Å; G195-W197 VanDerWaalsContact C-N 3.34Å; G195-K198 PolarHBondContact O-N 3.01Å; G195-S199 PolarHBondContact O-N 3.02Å; G195-S199 VanDerWaalsContact O-N 3.11Å; G195-S199 PolarHBondContact O-OG 3.33Å
196T90.1Very high90.8Very high61 Ų6142.8 Ų42.837%0.37426%0.259SS..Hα-helixtrans-66.5-39175.7-53.90000110.7I192 H193 S199 A200 F321I192-T196 HydrophobicContact CG2-CG2 4.29Å; H193-T196 PolarHBondContact O-N 3.41Å; T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.11Å; T196-A200 PolarHBondContact O-N 3.31Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å
197W92.9Very high90.3Very high20 Ų2047.6 Ų47.68%0.07628%0.278CS..Hα-helixtrans-60.6-47.2176.2-174.9-120.4000112.7D194 G195 S199 A200 I201 F296 L309 P313 F316 F321D194-W197 WeakPolarHBondContact O-CB 3.45Å; D194-W197 PolarHBondContact O-N 3.32Å; G195-W197 VanDerWaalsContact C-N 3.34Å; W197-S199 VanDerWaalsContact C-N 3.31Å; W197-S199 PolarHBondContact O-N 2.84Å; W197-A200 WeakPolarHBondContact O-CB 3.45Å; W197-A200 PolarHBondContact O-N 2.97Å; W197-I201 HydrophobicContact CD2-CD1 4.31Å; W197-I201 HydrophobicContact CG-CD1 4.11Å; W197-I201 VanDerWaalsContact O-CG1 3.3Å; W197-I201 WeakPolarHBondContact O-CG1 3.46Å; W197-I201 PolarHBondContact O-N 2.86Å; W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.26Å; W197-F296 HydrophobicContact CH2-CD2 3.26Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.31Å; W197-F296 AromaticContact CZ2-CD2 3.75Å; W197-F296 HydrophobicContact CZ2-CD2 3.75Å; W197-F296 AromaticContact CZ2-CE2 3.85Å; W197-F296 HydrophobicContact CZ2-CE2 3.85Å; W197-F296 AromaticContact CZ3-CD2 3.86Å; W197-F296 HydrophobicContact CZ3-CD2 3.86Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.01Å; W197-L309 PolarHBondContact NE1-O 3.39Å; W197-P313 HydrophobicContact CG-CB 4.39Å; W197-F316 HydrophobicContact CZ2-CB 4.21Å; W197-F321 HydrophobicContact CB-CB 4.01Å; W197-F321 HydrophobicContact CB-CD1 3.63Å; W197-F321 HydrophobicContact CB-CD2 4.49Å; W197-F321 HydrophobicContact CB-CE1 4.18Å; W197-F321 HydrophobicContact CB-CG 3.79Å; W197-F321 HydrophobicContact CD2-CB 4.39Å; W197-F321 HydrophobicContact CD2-CD2 4.07Å; W197-F321 HydrophobicContact CD2-CG 4.15Å; W197-F321 HydrophobicContact CE3-CD1 4.44Å; W197-F321 AromaticContact CE3-CD2 3.43Å; W197-F321 HydrophobicContact CE3-CD2 3.43Å; W197-F321 VanDerWaalsContact CE3-CD2 3.43Å; W197-F321 AromaticContact CE3-CE2 3.53Å; W197-F321 HydrophobicContact CE3-CE2 3.53Å; W197-F321 AromaticContact CE3-CG 3.91Å; W197-F321 HydrophobicContact CE3-CG 3.91Å; W197-F321 HydrophobicContact CE3-CZ 4.09Å; W197-F321 HydrophobicContact CG-CB 4.18Å; W197-F321 HydrophobicContact CG-CD1 4.45Å; W197-F321 HydrophobicContact CG-CG 4.16Å; W197-F321 AromaticContact CZ3-CD2 3.91Å; W197-F321 HydrophobicContact CZ3-CD2 3.91Å; W197-F321 AromaticContact CZ3-CE2 3.9Å; W197-F321 HydrophobicContact CZ3-CE2 3.9Å
198K92.3Very high90Very high55 Ų5544.6 Ų44.624%0.23926%0.26CS..Hα-helixtrans-58.6-45.1175.1-74.1162.7-179.2154.60111P101 D194 G195 A200 I201 Y202 I310P101-K198 HydrophobicContact CG-CB 4.25Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 3.15Å; D194-K198 IonicContact OD1-NZ 2.9Å; D194-K198 PolarHBondContact OD1-NZ 2.87Å; D194-K198 VanDerWaalsContact OD1-NZ 3.11Å; D194-K198 VanDerWaalsContact OD2-CE 3.26Å; D194-K198 WeakPolarHBondContact OD2-CE 3.05Å; D194-K198 IonicContact OD2-NZ 2.76Å; D194-K198 PolarHBondContact OD2-NZ 3.37Å; G195-K198 PolarHBondContact O-N 3.01Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.47Å; K198-I201 PolarHBondContact O-N 3.44Å; K198-Y202 HydrophobicContact CB-CD2 4.42Å; K198-Y202 HydrophobicContact CB-CE2 4.32Å; K198-Y202 WeakPolarHBondContact O-CD2 3.04Å; K198-Y202 PolarHBondContact O-N 3.31Å; K198-I310 HydrophobicContact CG-CG1 4.33Å; K198-I310 HydrophobicContact CG-CG2 4.39Å
199S89.7Confident89.8Confident27 Ų2741.6 Ų41.619%0.18925%0.248CC..Hα-helixtrans-59.9-42.5178.4-53.20000111.3G195 T196 W197 G203G195-S199 PolarHBondContact O-N 3.02Å; G195-S199 VanDerWaalsContact O-N 3.11Å; G195-S199 PolarHBondContact O-OG 3.33Å; T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.11Å; W197-S199 VanDerWaalsContact C-N 3.31Å; W197-S199 PolarHBondContact O-N 2.84Å; S199-G203 PolarHBondContact O-N 3.46Å
200A91.4Very high89.6Confident31 Ų3141.6 Ų41.626%0.25624%0.242SC..Hα-helixtrans-62.2-50.6172.900000111.9T196 W197 K198 Y202 G203 F204 F296T196-A200 PolarHBondContact O-N 3.31Å; W197-A200 WeakPolarHBondContact O-CB 3.45Å; W197-A200 PolarHBondContact O-N 2.97Å; K198-A200 VanDerWaalsContact C-N 3.31Å; K198-A200 PolarHBondContact O-N 3.47Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 3.47Å; A200-G203 PolarHBondContact O-N 3.12Å; A200-G203 VanDerWaalsContact O-N 3.16Å; A200-F204 HydrophobicContact CB-CD2 4.5Å; A200-F204 VanDerWaalsContact O-CD2 3.25Å; A200-F204 WeakPolarHBondContact O-CD2 3.47Å; A200-F204 PolarHBondContact O-N 3.5Å; A200-F296 HydrophobicContact CB-CZ 4.32Å
201I92.5Very high89.5Confident0 Ų047.8 Ų47.80%026%0.262CS..Hα-helixtrans-54.4-49.4179.9-68.6164000111.4W197 K198 G205 F296 V300 R306 L309 I310W197-I201 HydrophobicContact CD2-CD1 4.31Å; W197-I201 HydrophobicContact CG-CD1 4.11Å; W197-I201 VanDerWaalsContact O-CG1 3.3Å; W197-I201 WeakPolarHBondContact O-CG1 3.46Å; W197-I201 PolarHBondContact O-N 2.86Å; K198-I201 PolarHBondContact O-N 3.44Å; I201-G205 PolarHBondContact O-N 3.06Å; I201-F296 HydrophobicContact CG1-CE2 3.68Å; I201-F296 HydrophobicContact CG1-CZ 4.07Å; I201-V300 HydrophobicContact CG2-CG2 4.42Å; I201-R306 HydrophobicContact CG2-CB 3.94Å; I201-R306 HydrophobicContact CG2-CG 3.78Å; I201-L309 HydrophobicContact CD1-CB 3.48Å; I201-L309 VanDerWaalsContact CD1-CB 3.48Å; I201-L309 HydrophobicContact CD1-CD1 4.41Å; I201-L309 HydrophobicContact CG1-CB 4.11Å; I201-L309 HydrophobicContact CG1-CD1 4.13Å; I201-I310 HydrophobicContact CD1-CG1 3.7Å
202Y91.4Very high89.4Confident68 Ų6853.4 Ų53.427%0.26728%0.284SS..Hα-helixtrans-70.2-37.9179.8-68.3-62.8000111.9F104 K198 A200 G205 D206 I310F104-Y202 HydrophobicContact CE2-CD1 4.01Å; F104-Y202 AromaticContact CE2-CD2 3.63Å; F104-Y202 HydrophobicContact CE2-CD2 3.63Å; F104-Y202 HydrophobicContact CE2-CE1 4.16Å; F104-Y202 AromaticContact CE2-CE2 3.81Å; F104-Y202 HydrophobicContact CE2-CE2 3.81Å; F104-Y202 AromaticContact CE2-CG 3.74Å; F104-Y202 HydrophobicContact CE2-CG 3.74Å; F104-Y202 AromaticContact CZ-CD1 3.78Å; F104-Y202 HydrophobicContact CZ-CD1 3.78Å; F104-Y202 HydrophobicContact CZ-CD2 4.25Å; F104-Y202 HydrophobicContact CZ-CE1 4.03Å; F104-Y202 HydrophobicContact CZ-CE2 4.49Å; F104-Y202 AromaticContact CZ-CG 3.9Å; F104-Y202 HydrophobicContact CZ-CG 3.9Å; K198-Y202 HydrophobicContact CB-CD2 4.42Å; K198-Y202 HydrophobicContact CB-CE2 4.32Å; K198-Y202 WeakPolarHBondContact O-CD2 3.04Å; K198-Y202 PolarHBondContact O-N 3.31Å; A200-Y202 VanDerWaalsContact C-N 3.33Å; A200-Y202 PolarHBondContact O-N 3.47Å; Y202-G205 PolarHBondContact O-N 3.04Å; Y202-D206 WeakPolarHBondContact O-CB 3.22Å; Y202-D206 PolarHBondContact O-N 3.47Å; Y202-D206 VanDerWaalsContact O-N 3.11Å; Y202-I310 HydrophobicContact CE1-CD1 4.45Å; Y202-I310 HydrophobicContact CE2-CD1 4.1Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.34Å
203G88Confident89.3Confident25 Ų2551.7 Ų51.726%0.25828%0.275SS..Hα-helixtrans-61.6-47.2176.300000113.3S199 A200 G205 D206S199-G203 PolarHBondContact O-N 3.46Å; A200-G203 PolarHBondContact O-N 3.12Å; A200-G203 VanDerWaalsContact O-N 3.16Å; G203-G205 VanDerWaalsContact C-N 3.35Å; G203-D206 PolarHBondContact O-N 3.2Å
204F87.4Confident89.1Confident44 Ų4455.2 Ų55.219%0.19329%0.287CS..Hα-helixtrans-70.1-31.8176.1-79.8-84000112.5A200 D206 Q207 M249 F296 L297 V300A200-F204 HydrophobicContact CB-CD2 4.5Å; A200-F204 VanDerWaalsContact O-CD2 3.25Å; A200-F204 WeakPolarHBondContact O-CD2 3.47Å; A200-F204 PolarHBondContact O-N 3.5Å; F204-D206 PolarHBondContact O-N 3.19Å; F204-Q207 VanDerWaalsContact CD1-NE2 3.26Å; F204-M249 HydrophobicContact CE1-CE 3.61Å; F204-M249 HydrophobicContact CE1-SD 3.82Å; F204-M249 HydrophobicContact CE2-CE 4.3Å; F204-M249 HydrophobicContact CZ-CB 3.8Å; F204-M249 HydrophobicContact CZ-CE 3.3Å; F204-M249 HydrophobicContact CZ-CG 4.48Å; F204-M249 HydrophobicContact CZ-SD 3.85Å; F204-F296 HydrophobicContact CB-CE1 4.09Å; F204-F296 AromaticContact CD2-CE1 3.7Å; F204-F296 HydrophobicContact CD2-CE1 3.7Å; F204-F296 HydrophobicContact CD2-CZ 4.18Å; F204-F296 HydrophobicContact CE2-CE1 4.38Å; F204-F296 AromaticContact CG-CE1 3.88Å; F204-F296 HydrophobicContact CG-CE1 3.88Å; F204-L297 HydrophobicContact CD1-CD2 3.9Å; F204-L297 HydrophobicContact CE1-CD2 4.43Å; F204-V300 HydrophobicContact CB-CG1 3.85Å
205G85.8Confident88.9Confident36 Ų3660 Ų6037%0.37131%0.313SS..Hα-helixtrans-68.4-19.5174.300000114.2I201 Y202 G203I201-G205 PolarHBondContact O-N 3.06Å; Y202-G205 PolarHBondContact O-N 3.04Å; G203-G205 VanDerWaalsContact C-N 3.35Å
206D83.4Confident88.8Confident29 Ų2961.8 Ų61.816%0.15533%0.325CS..THydrogen-bonded Turntrans-119.118.9-168.2-161.439.8000114R103 Q128 Y202 G203 F204 S208 N209 L210R103-D206 IonicContact CZ-OD2 3.01Å; R103-D206 VanDerWaalsContact NH1-CB 3.3Å; R103-D206 IonicContact NH1-OD2 3Å; R103-D206 PolarHBondContact NH1-OD2 3.43Å; Q128-D206 PolarHBondContact NE2-OD2 3.32Å; Y202-D206 WeakPolarHBondContact O-CB 3.22Å; Y202-D206 PolarHBondContact O-N 3.47Å; Y202-D206 VanDerWaalsContact O-N 3.11Å; G203-D206 PolarHBondContact O-N 3.2Å; F204-D206 PolarHBondContact O-N 3.19Å; D206-S208 PolarHBondContact O-N 2.93Å; D206-S208 VanDerWaalsContact O-N 3.14Å; D206-N209 PolarHBondContact O-N 2.87Å; D206-N209 VanDerWaalsContact O-N 3.13Å; D206-N209 WeakPolarHBondContact OD1-CB 3.21Å; D206-N209 PolarHBondContact OD1-ND2 2.94Å; D206-L210 PolarHBondContact O-N 3.19Å
207Q81.8Confident88.5Confident114 Ų11460.2 Ų60.253%0.53332%0.316SS..Hα-helixtrans-58-29.7-178.4-70.5-173-3.800113.7F204 L210 R211F204-Q207 VanDerWaalsContact CD1-NE2 3.26Å; Q207-L210 PolarHBondContact O-N 3Å; Q207-R211 PolarHBondContact O-N 3.27Å; Q207-R211 VanDerWaalsContact O-N 3.08Å
208S85.6Confident88Confident71 Ų7166.2 Ų66.250%0.49735%0.35SS..Hα-helixtrans-64.9-39.5178.660.70000111.9D206 R211 K212D206-S208 PolarHBondContact O-N 2.93Å; D206-S208 VanDerWaalsContact O-N 3.14Å; S208-R211 PolarHBondContact O-N 2.99Å; S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.39Å
209N86.4Confident87.7Confident63 Ų6368 Ų6834%0.33736%0.362SS..Hα-helixtrans-72.6-36.2178.1-73.9-30.1000111.9D206 R211 K212 L213D206-N209 PolarHBondContact O-N 2.87Å; D206-N209 VanDerWaalsContact O-N 3.13Å; D206-N209 WeakPolarHBondContact OD1-CB 3.21Å; D206-N209 PolarHBondContact OD1-ND2 2.94Å; N209-R211 VanDerWaalsContact C-N 3.3Å; N209-R211 PolarHBondContact O-N 3.17Å; N209-K212 PolarHBondContact O-N 3.31Å; N209-L213 WeakPolarHBondContact O-CB 3.49Å; N209-L213 PolarHBondContact O-N 3.08Å
210L87.8Confident87.5Confident27 Ų2774.8 Ų74.814%0.14139%0.388CS..Hα-helixtrans-58.7-42.4170178.259.7000111.7P127 Q128 D206 Q207 L213 R214P127-L210 HydrophobicContact CB-CD1 4.3Å; P127-L210 HydrophobicContact CB-CD2 4.07Å; Q128-L210 HydrophobicContact CB-CB 4.14Å; Q128-L210 HydrophobicContact CB-CD1 4.1Å; Q128-L210 HydrophobicContact CG-CB 4.36Å; D206-L210 PolarHBondContact O-N 3.19Å; Q207-L210 PolarHBondContact O-N 3Å; L210-L213 PolarHBondContact O-N 3.46Å; L210-R214 HydrophobicContact CD1-CG 4.48Å; L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 3.33Å
211R88.7Confident87.4Confident183 Ų18378.6 Ų78.669%0.69141%0.41SS*.Hα-helixtrans-64.1-43.8176.1-173.6178.2179.8-176.8-1.6111.8Q207 S208 N209 R214 N215Q207-R211 PolarHBondContact O-N 3.27Å; Q207-R211 VanDerWaalsContact O-N 3.08Å; S208-R211 PolarHBondContact O-N 2.99Å; N209-R211 VanDerWaalsContact C-N 3.3Å; N209-R211 PolarHBondContact O-N 3.17Å; R211-R214 PolarHBondContact O-N 2.9Å; R211-N215 VanDerWaalsContact O-CG 3.3Å; R211-N215 PolarHBondContact O-N 2.92Å
212K91Very high87.3Confident133 Ų13379.8 Ų79.858%0.57842%0.417SS*.Hα-helixtrans-59.9-45.7175.8-72174.7-175.7174.70111.6S208 N209 R214 N215 A216S208-K212 WeakPolarHBondContact O-CG 3.32Å; S208-K212 PolarHBondContact O-N 3.39Å; N209-K212 PolarHBondContact O-N 3.31Å; K212-R214 PolarHBondContact O-N 2.76Å; K212-N215 PolarHBondContact O-N 3.11Å; K212-A216 WeakPolarHBondContact O-CB 3.21Å; K212-A216 PolarHBondContact O-N 3.45Å
213L91.6Very high87.3Confident23 Ų2378.9 Ų78.912%0.1242%0.42CS..Hα-helixtrans-57.5-47.3177.1177.666.5000111.8E131 L132 L135 N209 L210 N215 A216 S217E131-L213 HydrophobicContact CB-CD2 3.71Å; L132-L213 HydrophobicContact CB-CD1 4.44Å; L132-L213 HydrophobicContact CB-CD2 3.95Å; L132-L213 HydrophobicContact CD1-CD1 3.91Å; L135-L213 HydrophobicContact CD2-CD1 3.56Å; N209-L213 WeakPolarHBondContact O-CB 3.49Å; N209-L213 PolarHBondContact O-N 3.08Å; L210-L213 PolarHBondContact O-N 3.46Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 2.99Å; L213-A216 PolarHBondContact O-N 2.69Å; L213-S217 PolarHBondContact O-N 3.05Å
214R91.3Very high87.5Confident112 Ų11283 Ų8342%0.42344%0.435SS..Hα-helixtrans-63.6-36.1178.3-75.2173.8175.9169.7-0.2113.1E131 L210 R211 K212 S217E131-R214 IonicContact OE1-CZ 3.87Å; E131-R214 IonicContact OE1-NE 3.79Å; E131-R214 PolarHBondContact OE1-NE 2.92Å; E131-R214 IonicContact OE1-NH2 3.28Å; E131-R214 PolarHBondContact OE1-NH2 3.25Å; E131-R214 WeakPolarHBondContact OE2-CG 3.33Å; E131-R214 IonicContact OE2-CZ 3.35Å; E131-R214 IonicContact OE2-NE 2.64Å; E131-R214 PolarHBondContact OE2-NE 3.43Å; E131-R214 IonicContact OE2-NH2 3Å; L210-R214 HydrophobicContact CD1-CG 4.48Å; L210-R214 WeakPolarHBondContact O-CG 3.43Å; L210-R214 PolarHBondContact O-N 3.33Å; R211-R214 PolarHBondContact O-N 2.9Å; K212-R214 PolarHBondContact O-N 2.76Å; R214-S217 PolarHBondContact O-OG 3.15Å; R214-S217 VanDerWaalsContact O-OG 3.05Å
215N88.1Confident87.6Confident110 Ų11082.6 Ų82.659%0.58844%0.435SS*.Hα-helixtrans-70.8-37.6174.9-68.5-8.5000111.6R211 K212 L213R211-N215 VanDerWaalsContact O-CG 3.3Å; R211-N215 PolarHBondContact O-N 2.92Å; K212-N215 PolarHBondContact O-N 3.11Å; L213-N215 VanDerWaalsContact C-N 3.31Å; L213-N215 PolarHBondContact O-N 2.99Å
216A88.5Confident87.7Confident66 Ų6682 Ų8255%0.54543%0.429SS..Hα-helixtrans-74.5-23.7-179.100000113.7K212 L213 N218K212-A216 WeakPolarHBondContact O-CB 3.21Å; K212-A216 PolarHBondContact O-N 3.45Å; L213-A216 PolarHBondContact O-N 2.69Å; A216-N218 PolarHBondContact O-N 3.41Å
217S83.8Confident88Confident27 Ų2783.6 Ų83.619%0.18944%0.44CS..THydrogen-bonded Turntrans-68.8-16.6-177.4720000113.9L213 R214 L219L213-S217 PolarHBondContact O-N 3.05Å; R214-S217 PolarHBondContact O-OG 3.15Å; R214-S217 VanDerWaalsContact O-OG 3.05Å; S217-L219 PolarHBondContact O-N 3.17Å; S217-L219 WeakPolarHBondContact OG-CD1 3.41Å; S217-L219 WeakPolarHBondContact OG-CG 3.31Å
218N81.6Confident88.5Confident147 Ų14786 Ų8679%0.78645%0.449SS*.  trans51.220-178.1-65.4-36000114.6A216 K220A216-N218 PolarHBondContact O-N 3.41Å; N218-K220 PolarHBondContact O-N 2.93Å
219L85.4Confident88.9Confident91 Ų9183.9 Ų83.948%0.47643%0.432SS..PPolyproline II helixtrans-73127.4-176.2-65.2165.8000110.5S217 R261S217-L219 PolarHBondContact O-N 3.17Å; S217-L219 WeakPolarHBondContact OG-CD1 3.41Å; S217-L219 WeakPolarHBondContact OG-CG 3.31Å; L219-R261 VanDerWaalsContact CB-NH1 3.27Å
220K86.9Confident89.1Confident170 Ų17089.7 Ų89.774%0.73946%0.455SS*.PPolyproline II helixtrans-59.7141.1176.3-67.8-178.3-177.7175.40110.8N218 V222 R261N218-K220 PolarHBondContact O-N 2.93Å; K220-V222 PolarHBondContact O-N 3.45Å; K220-R261 PolarHBondContact O-NH2 3.07Å
221P88Confident89.2Confident112 Ų11298 Ų9873%0.72748%0.484SS*.PPolyproline II helixtrans-56.1139173.2-23.834000111.2
222V91.3Very high89.4Confident24 Ų2492.7 Ų92.715%0.14546%0.464CS..PPolyproline II helixtrans-61.3132.2170.2-178.60000108.1K220 R261 P271K220-V222 PolarHBondContact O-N 3.45Å; V222-R261 HydrophobicContact CG2-CB 3.7Å; V222-R261 HydrophobicContact CG2-CG 4.27Å; V222-P271 HydrophobicContact CG1-CB 3.36Å; V222-P271 HydrophobicContact CG1-CG 3.79Å
223P91.7Very high89.4Confident49 Ų4995.6 Ų95.632%0.31847%0.472SS..PPolyproline II helixtrans-56.2147.1179.8-27.836.9000112.6Y264 P271P223-Y264 HydrophobicContact CG-CD1 4.19Å; P223-Y264 HydrophobicContact CG-CE1 3.57Å; P223-Y264 HydrophobicContact CG-CE2 4.07Å; P223-P271 WeakPolarHBondContact O-CG 3.31Å
224L91.1Very high89.2Confident112 Ų11298.1 Ų98.159%0.58649%0.489SS*.PPolyproline II helixtrans-95.7118.5175.4-64.3175.4000108.6Q273L224-Q273 HydrophobicContact CD2-CG 3.99Å
225I89.4Confident89.3Confident35 Ų3594.8 Ų94.818%0.17948%0.479CS..PPolyproline II helixtrans-99.4128.2171.8-51.5-57.6000108.8T175 P271 Q273 T351T175-I225 HydrophobicContact CG2-CB 4.24Å; T175-I225 HydrophobicContact CG2-CG2 3.7Å; I225-P271 HydrophobicContact CG1-CG 4.03Å; I225-Q273 PolarHBondContact O-NE2 3.11Å; I225-T351 HydrophobicContact CG2-CG2 3.63Å
226G88.4Confident89.6Confident24 Ų2490.4 Ų90.425%0.24746%0.457CS..SBendtrans70.9-166.8-176.300000113.8
227P89.8Confident89.9Confident62 Ų6292.6 Ų92.640%0.40345%0.452SS..SBendtrans-66.2145.1-179.627.6-34.8000111.4L229 Q273 Y345 P356P227-L229 PolarHBondContact O-N 3.17Å; P227-Q273 PolarHBondContact O-NE2 2.87Å; P227-Y345 WeakPolarHBondContact CD-OH 3.48Å; P227-P356 HydrophobicContact CG-CG 3.88Å
228K92Very high90.3Very high165 Ų16591.3 Ų91.372%0.71744%0.443SS*.  trans-57.1125.4175.5-174.5175-178.8176.40110.7K230K228-K230 PolarHBondContact O-N 3.07Å; K228-K230 VanDerWaalsContact O-N 3.1Å
229L93.3Very high90.8Very high27 Ų2794.1 Ų94.114%0.14144%0.443CS..  trans-59.7114.3174179.360.5000109.1A176 E178 P227 R231 Q273 A275A176-L229 HydrophobicContact CB-CB 4.24Å; A176-L229 HydrophobicContact CB-CD1 4.11Å; A176-L229 HydrophobicContact CB-CD2 4.35Å; A176-L229 HydrophobicContact CB-CG 4.46Å; E178-L229 HydrophobicContact CG-CD1 4.05Å; E178-L229 HydrophobicContact CG-CD2 4.44Å; P227-L229 PolarHBondContact O-N 3.17Å; L229-R231 PolarHBondContact O-N 2.84Å; L229-Q273 HydrophobicContact CB-CB 4Å; L229-Q273 HydrophobicContact CD2-CB 4.35Å; L229-A275 HydrophobicContact CD2-CB 3.8Å
230K90.8Very high91.2Very high185 Ų18595.6 Ų95.680%0.80445%0.447SS*.PPolyproline II helixtrans-76.8116.8177.1-67.8-175.5179.6-178.10108.4K228K228-K230 PolarHBondContact O-N 3.07Å; K228-K230 VanDerWaalsContact O-N 3.1Å
231R90.6Very high91.5Very high202 Ų20289.6 Ų89.676%0.76242%0.423SS*.PPolyproline II helixtrans-63.6138.3172.1-68.6-173.9176.8-179.4-3109.7L229L229-R231 PolarHBondContact O-N 2.84Å
232R92.4Very high91.9Very high70 Ų7092.6 Ų92.626%0.26443%0.425SS..PPolyproline II helixtrans-65.5155173.1-66173.7179.3-109.71.9110E178 S236 Y277E178-R232 WeakPolarHBondContact OE1-CD 3.36Å; E178-R232 IonicContact OE1-NE 3.36Å; E178-R232 PolarHBondContact OE1-NE 2.91Å; E178-R232 IonicContact OE2-CZ 3.34Å; E178-R232 IonicContact OE2-NE 3.85Å; E178-R232 PolarHBondContact OE2-NE 3.19Å; E178-R232 IonicContact OE2-NH2 2.92Å; E178-R232 PolarHBondContact OE2-NH2 3.01Å; R232-S236 WeakPolarHBondContact CD-OG 3.32Å; R232-Y277 HydrophobicContact CB-CE1 3.78Å; R232-Y277 HydrophobicContact CG-CE1 4.24Å; R232-Y277 WeakPolarHBondContact CG-OH 3.4Å; R232-Y277 PolarHBondContact N-OH 3.41Å
233W90.7Very high92Very high195 Ų19591.6 Ų91.674%0.73942%0.419SS*.PPolyproline II helixtrans-58.3145.2169.1-15470.3000109.2I235W233-I235 HydrophobicContact CE3-CB 4.23Å; W233-I235 HydrophobicContact CZ3-CB 4.2Å; W233-I235 CarbonylContact O-C 3.43Å; W233-I235 PolarHBondContact O-N 3.29Å
234P88.6Confident92.3Very high76 Ų7692.5 Ų92.549%0.49442%0.417SS..SBendtrans-55.4-21-170.3-29.936.5000115.6I246 P247P234-I246 WeakPolarHBondContact O-CA 3.36Å; P234-I246 WeakPolarHBondContact O-CG2 3.3Å; P234-P247 HydrophobicContact CB-CG 4.49Å; P234-P247 WeakPolarHBondContact O-CD 3.49Å
235I93Very high92.5Very high41 Ų4187.2 Ų87.221%0.2139%0.389CS..SBendtrans-124.9110.4169.3-60.3164.5000106.4W233 Y244 I246 V286 M290W233-I235 HydrophobicContact CE3-CB 4.23Å; W233-I235 HydrophobicContact CZ3-CB 4.2Å; W233-I235 CarbonylContact O-C 3.43Å; W233-I235 PolarHBondContact O-N 3.29Å; I235-Y244 HydrophobicContact CG2-CD1 3.91Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; I235-I246 HydrophobicContact CG1-CG2 4.31Å; I235-V286 HydrophobicContact CD1-CG1 3.87Å; I235-V286 HydrophobicContact CG1-CG1 4.05Å; I235-V286 HydrophobicContact CG2-CG1 3.77Å; I235-V286 HydrophobicContact CG2-CG2 4.43Å; I235-M290 HydrophobicContact CD1-CE 4.02Å; I235-M290 HydrophobicContact CD1-CG 4.32Å; I235-M290 HydrophobicContact CD1-SD 3.36Å; I235-M290 WeakPolarHBondContact CD1-SD 3.42Å
236S93.6Very high92.7Very high18 Ų1887.5 Ų87.513%0.12639%0.39CS..EExtended strand (participates in β ladder)trans-136135.7-177.472.50000111.7R232 C238 Y244 S245R232-S236 WeakPolarHBondContact CD-OG 3.32Å; S236-C238 PolarHBondContact O-N 3.1Å; S236-Y244 CarbonylContact O-C 3.49Å; S236-S245 PolarHBondContact N-O 2.78Å; S236-S245 PolarHBondContact O-N 3.28Å; S236-S245 PolarHBondContact O-OG 2.71Å; S236-S245 PolarHBondContact OG-OG 2.8Å
237Y94.5Very high93Very high112 Ų11288.9 Ų88.944%0.43940%0.395SS..EExtended strand (participates in β ladder)trans-79.1119.4174-169.7-99.2000109.6R239 K242 Y244Y237-R239 HydrophobicContact CD1-CG 4.12Å; Y237-R239 HydrophobicContact CE1-CG 4.29Å; Y237-K242 VanDerWaalsContact OH-C 3.26Å; Y237-K242 VanDerWaalsContact OH-CA 3.28Å; Y237-K242 WeakPolarHBondContact OH-CA 2.99Å; Y237-K242 PolarHBondContact OH-O 3.31Å; Y237-Y244 HydrophobicContact CD2-CD1 4.37Å; Y237-Y244 AromaticContact CD2-CD2 3.89Å; Y237-Y244 HydrophobicContact CD2-CD2 3.89Å; Y237-Y244 HydrophobicContact CD2-CE1 4.3Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.17Å; Y237-Y244 HydrophobicContact CE2-CD2 4.44Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å
238C93.2Very high93.1Very high0 Ų088.2 Ų88.20%039%0.386CS..EExtended strand (participates in β ladder)trans-90.3114.6170.9176.80000108.2F180 S236 E240 L241 K242 G243F180-C238 HydrophobicContact CE1-CB 4.16Å; S236-C238 PolarHBondContact O-N 3.1Å; C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.4Å; C238-L241 HydrophobicContact CB-CB 4.28Å; C238-L241 PolarHBondContact O-N 3.49Å; C238-K242 PolarHBondContact O-N 3.06Å; C238-G243 PolarHBondContact N-O 3.39Å; C238-G243 PolarHBondContact O-N 2.82Å
239R92.7Very high92.8Very high206 Ų20686.8 Ų86.878%0.77738%0.383SS*.THydrogen-bonded Turntrans-68.6-38.5-176.4-67.6-178.6179.5-179.6-1111Y237 L241 K242Y237-R239 HydrophobicContact CD1-CG 4.12Å; Y237-R239 HydrophobicContact CE1-CG 4.29Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 3.27Å; R239-K242 PolarHBondContact O-N 2.95Å
240E93Very high92.5Very high122 Ų12287 Ų8757%0.5739%0.392SS*.THydrogen-bonded Turntrans-62.8-35.9-179.6-60.480.4-179.700111.6C238 F341C238-E240 VanDerWaalsContact C-N 3.34Å; C238-E240 PolarHBondContact SG-OE2 3.4Å; E240-F341 HydrophobicContact CB-CE1 3.98Å; E240-F341 HydrophobicContact CB-CE2 4.35Å; E240-F341 HydrophobicContact CB-CZ 3.53Å; E240-F341 HydrophobicContact CG-CE1 4.07Å; E240-F341 HydrophobicContact CG-CZ 4.05Å
241L94.2Very high92.6Very high44 Ų4478.2 Ų78.223%0.2335%0.354CS..THydrogen-bonded Turntrans-99.60.7178.8-59.1179.1000113.5F180 C238 R239 G243 T339 F341F180-L241 HydrophobicContact CB-CD1 3.32Å; F180-L241 HydrophobicContact CD1-CD1 3.92Å; F180-L241 HydrophobicContact CD2-CD1 4.38Å; F180-L241 HydrophobicContact CG-CD1 3.63Å; C238-L241 HydrophobicContact CB-CB 4.28Å; C238-L241 PolarHBondContact O-N 3.49Å; R239-L241 VanDerWaalsContact C-N 3.28Å; R239-L241 PolarHBondContact O-N 3.27Å; L241-G243 PolarHBondContact O-N 3.38Å; L241-G243 VanDerWaalsContact O-N 3.14Å; L241-T339 HydrophobicContact CD2-CG2 4.31Å; L241-F341 HydrophobicContact CD1-CE2 4.32Å; L241-F341 HydrophobicContact CD2-CZ 4.39Å; L241-F341 HydrophobicContact CG-CE2 4.29Å; L241-F341 HydrophobicContact CG-CZ 4.39Å
242K94.8Very high92.8Very high175 Ų17569.1 Ų69.176%0.76132%0.321SS*.THydrogen-bonded Turntrans5035.6-178.5-59-179.8179.9177.50113.9Y237 C238 R239Y237-K242 VanDerWaalsContact OH-C 3.26Å; Y237-K242 VanDerWaalsContact OH-CA 3.28Å; Y237-K242 WeakPolarHBondContact OH-CA 2.99Å; Y237-K242 PolarHBondContact OH-O 3.31Å; C238-K242 PolarHBondContact O-N 3.06Å; R239-K242 PolarHBondContact O-N 2.95Å
243G95.1Very high93Very high3 Ų368 Ų683%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-149.5158.1-173.500000113.6C238 L241C238-G243 PolarHBondContact N-O 3.39Å; C238-G243 PolarHBondContact O-N 2.82Å; L241-G243 PolarHBondContact O-N 3.38Å; L241-G243 VanDerWaalsContact O-N 3.14Å
244Y96.3Very high93.2Very high69 Ų6959.2 Ų59.227%0.27129%0.29SS..EExtended strand (participates in β ladder)trans-74.1142.9169-73.4-87.6000110.4I235 S236 Y237 T279 V280 G281 I283 V286I235-Y244 HydrophobicContact CG2-CD1 3.91Å; I235-Y244 HydrophobicContact CG2-CE1 4.48Å; S236-Y244 CarbonylContact O-C 3.49Å; Y237-Y244 HydrophobicContact CD2-CD1 4.37Å; Y237-Y244 AromaticContact CD2-CD2 3.89Å; Y237-Y244 HydrophobicContact CD2-CD2 3.89Å; Y237-Y244 HydrophobicContact CD2-CE1 4.3Å; Y237-Y244 AromaticContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CE2 3.81Å; Y237-Y244 HydrophobicContact CD2-CG 4.17Å; Y237-Y244 HydrophobicContact CE2-CD2 4.44Å; Y237-Y244 HydrophobicContact CE2-CE2 4.35Å; Y244-T279 CarbonylContact O-C 3.49Å; Y244-T279 WeakPolarHBondContact O-CA 3.49Å; Y244-V280 WeakPolarHBondContact O-CG2 3.38Å; Y244-V280 PolarHBondContact O-N 3.44Å; Y244-G281 WeakPolarHBondContact CB-O 3.39Å; Y244-G281 WeakPolarHBondContact CD2-O 3.45Å; Y244-G281 PolarHBondContact N-O 3.04Å; Y244-I283 HydrophobicContact CD1-CD1 4.44Å; Y244-I283 HydrophobicContact CD2-CB 4.36Å; Y244-I283 HydrophobicContact CE1-CD1 4.02Å; Y244-I283 HydrophobicContact CE2-CB 3.85Å; Y244-I283 HydrophobicContact CE2-CD1 4.23Å; Y244-V286 HydrophobicContact CD1-CG2 4.34Å; Y244-V286 HydrophobicContact CD2-CG2 4.4Å; Y244-V286 HydrophobicContact CG-CG2 3.81Å
245S95.3Very high93.6Very high0 Ų055.7 Ų55.70%027%0.267CS..EExtended strand (participates in β ladder)trans-127.8146.6179.162.90000110.6S236 V278S236-S245 PolarHBondContact N-O 2.78Å; S236-S245 PolarHBondContact O-N 3.28Å; S236-S245 PolarHBondContact O-OG 2.71Å; S236-S245 PolarHBondContact OG-OG 2.8Å; S245-V278 CarbonylContact C-O 3.58Å; S245-V278 WeakPolarHBondContact CA-O 3.5Å
246I94.3Very high93.9Very high41 Ų4153.7 Ų53.721%0.2126%0.257CS..EExtended strand (participates in β ladder)trans-126.6154.9173.761.9158.7000109.9P234 I235 F248 Y277 V278 V280 L289P234-I246 WeakPolarHBondContact O-CA 3.36Å; P234-I246 WeakPolarHBondContact O-CG2 3.3Å; I235-I246 HydrophobicContact CG1-CG2 4.31Å; I246-F248 PolarHBondContact O-N 3.42Å; I246-Y277 CarbonylContact O-C 3.26Å; I246-Y277 WeakPolarHBondContact O-CA 3.27Å; I246-Y277 WeakPolarHBondContact O-CB 3.08Å; I246-V278 HydrophobicContact CG1-CB 4.44Å; I246-V278 PolarHBondContact N-O 2.67Å; I246-V278 PolarHBondContact O-N 3.06Å; I246-V280 HydrophobicContact CD1-CG1 4.3Å; I246-V280 HydrophobicContact CG1-CG1 3.99Å; I246-L289 HydrophobicContact CD1-CD2 3.4Å; I246-L289 HydrophobicContact CD1-CG 4.43Å; I246-L289 HydrophobicContact CG1-CD2 4.41Å
247P94.2Very high94Very high53 Ų5358.4 Ų58.434%0.34428%0.275SS..EExtended strand (participates in β ladder)trans-53.9132.2173.4-27.434.1000112P234 M249P234-P247 HydrophobicContact CB-CG 4.49Å; P234-P247 WeakPolarHBondContact O-CD 3.49Å; P247-M249 PolarHBondContact O-N 3.44Å
248F91.9Very high94.1Very high48 Ų4854.1 Ų54.121%0.21126%0.258CS..  trans-74.2124.7170-179.1-118000109.2I246 G250 D252 A276 V278I246-F248 PolarHBondContact O-N 3.42Å; F248-G250 VanDerWaalsContact CE1-CA 3.43Å; F248-D252 HydrophobicContact CD1-CB 4.08Å; F248-D252 HydrophobicContact CE1-CB 4.07Å; F248-D252 WeakPolarHBondContact CE1-OD1 3.13Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.2Å; F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.27Å; F248-A276 PolarHBondContact N-O 2.89Å; F248-V278 HydrophobicContact CB-CG2 3.93Å; F248-V278 HydrophobicContact CD2-CG2 3.43Å; F248-V278 VanDerWaalsContact CD2-CG2 3.43Å; F248-V278 HydrophobicContact CE2-CG2 4.35Å; F248-V278 HydrophobicContact CG-CG2 4.1Å
249M85.8Confident94.4Very high135 Ų13554.1 Ų54.167%0.66526%0.258SS*.  trans-100.523.1-176.8-55.5-163.4-63.500113.5F204 P247F204-M249 HydrophobicContact CE1-CE 3.61Å; F204-M249 HydrophobicContact CE1-SD 3.82Å; F204-M249 HydrophobicContact CE2-CE 4.3Å; F204-M249 HydrophobicContact CZ-CB 3.8Å; F204-M249 HydrophobicContact CZ-CE 3.3Å; F204-M249 HydrophobicContact CZ-CG 4.48Å; F204-M249 HydrophobicContact CZ-SD 3.85Å; P247-M249 PolarHBondContact O-N 3.44Å
250G87.4Confident94.6Very high31 Ų3144.5 Ų44.532%0.3222%0.222SC..SBendtrans-92.1-158.7176.400000114F248F248-G250 VanDerWaalsContact CE1-CA 3.43Å
251S93Very high94.8Very high1 Ų140.1 Ų40.11%0.00720%0.2CC..SBendtrans-79-22.3-174.828.50000115.4G125 D155 V253 S254 V255G125-S251 WeakPolarHBondContact CA-OG 3.35Å; D155-S251 PolarHBondContact O-OG 3.38Å; S251-V253 VanDerWaalsContact C-N 3.32Å; S251-V253 PolarHBondContact O-N 2.85Å; S251-V253 VanDerWaalsContact O-N 3.11Å; S251-S254 WeakPolarHBondContact O-CA 3.34Å; S251-S254 WeakPolarHBondContact O-CB 3.44Å; S251-S254 PolarHBondContact O-N 3.26Å; S251-V255 PolarHBondContact O-N 2.91Å
252D96Very high94.9Very high12 Ų1239.8 Ų39.86%0.06420%0.196CC..Hα-helixtrans-48.3-48.4-169.6-646.8000113.8A159 F248 S254 V255 V256 Y274 A276A159-D252 HydrophobicContact CB-CB 3.88Å; A159-D252 VanDerWaalsContact CB-CG 3.4Å; A159-D252 VanDerWaalsContact CB-OD2 3.27Å; A159-D252 WeakPolarHBondContact CB-OD2 3.32Å; F248-D252 HydrophobicContact CD1-CB 4.08Å; F248-D252 HydrophobicContact CE1-CB 4.07Å; F248-D252 WeakPolarHBondContact CE1-OD1 3.13Å; F248-D252 WeakPolarHBondContact CE1-OD2 3.2Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.21Å; D252-V255 PolarHBondContact O-N 2.97Å; D252-V256 VanDerWaalsContact O-CB 3.32Å; D252-V256 WeakPolarHBondContact O-CB 3Å; D252-V256 VanDerWaalsContact O-CG2 3.25Å; D252-V256 WeakPolarHBondContact O-CG2 3.34Å; D252-V256 PolarHBondContact O-N 3.26Å; D252-Y274 HydrophobicContact CB-CE1 4.01Å; D252-A276 HydrophobicContact CB-CB 4.33Å
253V95.5Very high95Very high47 Ų4731.4 Ų31.429%0.28516%0.159SC..Hα-helixtrans-65-35.1-178.5176.50000111.8S251 K257 Y274 A276S251-V253 VanDerWaalsContact C-N 3.32Å; S251-V253 PolarHBondContact O-N 2.85Å; S251-V253 VanDerWaalsContact O-N 3.11Å; V253-K257 WeakPolarHBondContact O-CB 3.41Å; V253-K257 PolarHBondContact O-N 3.37Å; V253-Y274 HydrophobicContact CG2-CD1 4.18Å; V253-Y274 HydrophobicContact CG2-CE1 4.22Å; V253-A276 HydrophobicContact CG2-CB 3.96Å
254S95.1Very high95.1Very high10 Ų1036.3 Ų36.37%0.0718%0.178CC..Hα-helixtrans-68.9-47.7174.9174.20000110.6E131 S251 D252 K257 R258E131-S254 PolarHBondContact OE1-OG 3.22Å; S251-S254 WeakPolarHBondContact O-CA 3.34Å; S251-S254 WeakPolarHBondContact O-CB 3.44Å; S251-S254 PolarHBondContact O-N 3.26Å; D252-S254 VanDerWaalsContact C-N 3.29Å; D252-S254 PolarHBondContact O-N 3.21Å; S254-K257 PolarHBondContact O-N 2.99Å; S254-R258 WeakPolarHBondContact O-CD 3.24Å; S254-R258 VanDerWaalsContact O-CG 3.27Å; S254-R258 WeakPolarHBondContact O-CG 3.43Å; S254-R258 PolarHBondContact O-N 3.36Å; S254-R258 VanDerWaalsContact O-N 3.1Å
255V97.9Very high95Very high1 Ų138.1 Ų38.11%0.00619%0.189CC..Hα-helixtrans-66.6-52.9-176.7175.90000111.2L130 S156 D160 S251 D252 K257 R258 T259 T400L130-V255 HydrophobicContact CD1-CG2 4.12Å; S156-V255 WeakPolarHBondContact OG-CB 3.45Å; S156-V255 VanDerWaalsContact OG-CG2 3.3Å; S156-V255 WeakPolarHBondContact OG-CG2 3.27Å; D160-V255 HydrophobicContact CB-CG1 4.18Å; D160-V255 WeakPolarHBondContact OD2-CG1 3.27Å; S251-V255 PolarHBondContact O-N 2.91Å; D252-V255 PolarHBondContact O-N 2.97Å; V255-K257 VanDerWaalsContact C-N 3.29Å; V255-K257 PolarHBondContact O-N 3.48Å; V255-R258 WeakPolarHBondContact O-CB 3.49Å; V255-R258 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.49Å; V255-T400 HydrophobicContact CB-CG2 4.35Å; V255-T400 HydrophobicContact CG1-CG2 3.69Å
256V97.9Very high95.1Very high0 Ų042.7 Ų42.70%021%0.213CC..Hα-helixtrans-56.2-45.2177.1175.50000110.7D160 V163 D252 R258 T259 Q260 Y274D160-V256 HydrophobicContact CB-CG2 4.34Å; D160-V256 WeakPolarHBondContact OD1-CA 3.29Å; V163-V256 HydrophobicContact CG2-CG1 4.18Å; D252-V256 VanDerWaalsContact O-CB 3.32Å; D252-V256 WeakPolarHBondContact O-CB 3Å; D252-V256 VanDerWaalsContact O-CG2 3.25Å; D252-V256 WeakPolarHBondContact O-CG2 3.34Å; D252-V256 PolarHBondContact O-N 3.26Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.92Å; V256-T259 WeakPolarHBondContact O-CB 3.13Å; V256-T259 PolarHBondContact O-N 3.3Å; V256-Q260 HydrophobicContact CG1-CG 4.06Å; V256-Q260 VanDerWaalsContact O-CG 3.24Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 3.39Å; V256-Y274 HydrophobicContact CB-CD1 3.61Å; V256-Y274 HydrophobicContact CB-CE1 3.98Å; V256-Y274 HydrophobicContact CB-CG 4.05Å; V256-Y274 HydrophobicContact CG1-CD1 3.73Å; V256-Y274 HydrophobicContact CG1-CD2 4.19Å; V256-Y274 HydrophobicContact CG1-CE1 4.39Å; V256-Y274 HydrophobicContact CG1-CG 3.6Å; V256-Y274 HydrophobicContact CG2-CD1 3.75Å; V256-Y274 HydrophobicContact CG2-CE1 3.57Å; V256-Y274 HydrophobicContact CG2-CE2 4.47Å; V256-Y274 HydrophobicContact CG2-CG 4.27Å
257K96.4Very high95.1Very high117 Ų11742.8 Ų42.851%0.50921%0.214SC..Hα-helixtrans-60.9-36.8179-174.9179.4178.9-173.70112.6V253 S254 V255 R261V253-K257 WeakPolarHBondContact O-CB 3.41Å; V253-K257 PolarHBondContact O-N 3.37Å; S254-K257 PolarHBondContact O-N 2.99Å; V255-K257 VanDerWaalsContact C-N 3.29Å; V255-K257 PolarHBondContact O-N 3.48Å; K257-R261 PolarHBondContact O-N 3.2Å; K257-R261 VanDerWaalsContact O-N 3.07Å
258R97Very high95.1Very high22 Ų2249 Ų498%0.08324%0.238CC..Hα-helixtrans-70.6-40.6176.4-71.3164.565.6-148.2-4.4111.4S254 V255 V256 R261 Y262 T400S254-R258 WeakPolarHBondContact O-CD 3.24Å; S254-R258 VanDerWaalsContact O-CG 3.27Å; S254-R258 WeakPolarHBondContact O-CG 3.43Å; S254-R258 PolarHBondContact O-N 3.36Å; S254-R258 VanDerWaalsContact O-N 3.1Å; V255-R258 WeakPolarHBondContact O-CB 3.49Å; V255-R258 PolarHBondContact O-N 2.78Å; V256-R258 VanDerWaalsContact C-N 3.27Å; V256-R258 PolarHBondContact O-N 2.92Å; R258-R261 WeakPolarHBondContact O-CB 3.41Å; R258-R261 PolarHBondContact O-N 3.3Å; R258-Y262 PolarHBondContact O-N 3.05Å; R258-Y262 VanDerWaalsContact O-N 3.07Å; R258-T400 HydrophobicContact CB-CG2 3.66Å
259T98.3Very high95.2Very high0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-56.1-53.3169.8-65.50000110.9D160 I164 V255 V256 R261 Y262 L263 T400D160-T259 WeakPolarHBondContact OD1-CB 3.39Å; D160-T259 WeakPolarHBondContact OD1-CG2 3.39Å; D160-T259 PolarHBondContact OD1-OG1 3.02Å; D160-T259 PolarHBondContact OD2-OG1 2.91Å; I164-T259 HydrophobicContact CD1-CG2 4.11Å; V255-T259 PolarHBondContact O-N 2.78Å; V255-T259 PolarHBondContact O-OG1 3.49Å; V256-T259 WeakPolarHBondContact O-CB 3.13Å; V256-T259 PolarHBondContact O-N 3.3Å; T259-R261 PolarHBondContact O-N 3.11Å; T259-Y262 PolarHBondContact O-N 2.92Å; T259-L263 HydrophobicContact CG2-CD1 3.71Å; T259-L263 HydrophobicContact CG2-CG 4.18Å; T259-L263 VanDerWaalsContact O-CG 3.29Å; T259-L263 WeakPolarHBondContact O-CG 3.45Å; T259-L263 PolarHBondContact O-N 3.08Å; T259-T400 WeakPolarHBondContact OG1-CB 3.46Å; T259-T400 PolarHBondContact OG1-OG1 2.87Å
260Q98Very high95.5Very high4 Ų445.4 Ų45.42%0.01923%0.227CC..Hα-helixtrans-61.3-31.7-178.8-63.1-54.7-55.600112.9V256 Y264 P271V256-Q260 HydrophobicContact CG1-CG 4.06Å; V256-Q260 VanDerWaalsContact O-CG 3.24Å; V256-Q260 WeakPolarHBondContact O-CG 3.3Å; V256-Q260 PolarHBondContact O-N 3.39Å; Q260-Y264 WeakPolarHBondContact O-CB 3.22Å; Q260-Y264 PolarHBondContact O-N 3.26Å; Q260-Y264 VanDerWaalsContact O-N 3.16Å; Q260-P271 HydrophobicContact CB-CB 4.37Å
261R96.8Very high95.8Very high30 Ų3044.1 Ų44.111%0.11321%0.212CC..Hα-helixtrans-64-52170.7-179.6174-72.4151.6-5.7111.6L219 K220 V222 K257 R258 T259 L263 Y264 E265L219-R261 VanDerWaalsContact CB-NH1 3.27Å; K220-R261 PolarHBondContact O-NH2 3.07Å; V222-R261 HydrophobicContact CG2-CB 3.7Å; V222-R261 HydrophobicContact CG2-CG 4.27Å; K257-R261 PolarHBondContact O-N 3.2Å; K257-R261 VanDerWaalsContact O-N 3.07Å; R258-R261 WeakPolarHBondContact O-CB 3.41Å; R258-R261 PolarHBondContact O-N 3.3Å; T259-R261 PolarHBondContact O-N 3.11Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.23Å; R261-Y264 PolarHBondContact O-N 2.95Å; R261-Y264 VanDerWaalsContact O-N 3.16Å; R261-E265 WeakPolarHBondContact CD-OE1 3.21Å; R261-E265 HydrophobicContact CG-CG 4.04Å; R261-E265 VanDerWaalsContact CG-OE1 3.27Å; R261-E265 WeakPolarHBondContact CG-OE1 3.49Å; R261-E265 WeakPolarHBondContact CG-OE2 3.39Å; R261-E265 IonicContact NE-OE1 3.5Å; R261-E265 WeakPolarHBondContact O-CB 3.39Å; R261-E265 WeakPolarHBondContact O-CG 3.42Å; R261-E265 PolarHBondContact O-N 2.87Å
262Y97.1Very high96Very high36 Ų3644.4 Ų44.414%0.14121%0.214CC..Hα-helixtrans-58.1-45.1-179.6174.5-96.4000111.5R258 T259 Y264 E265 N266 L267 P393 F399 A403R258-Y262 PolarHBondContact O-N 3.05Å; R258-Y262 VanDerWaalsContact O-N 3.07Å; T259-Y262 PolarHBondContact O-N 2.92Å; Y262-Y264 VanDerWaalsContact C-N 3.28Å; Y262-Y264 PolarHBondContact O-N 3.1Å; Y262-E265 PolarHBondContact O-N 3.47Å; Y262-N266 HydrophobicContact CD2-CB 4.03Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.4Å; Y262-N266 HydrophobicContact CE2-CB 3.75Å; Y262-N266 VanDerWaalsContact O-CB 3.26Å; Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.85Å; Y262-N266 PolarHBondContact O-OD1 3.04Å; Y262-L267 HydrophobicContact CE1-CD1 4.1Å; Y262-L267 HydrophobicContact CE1-CG 4.18Å; Y262-P393 VanDerWaalsContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CB 3.22Å; Y262-P393 WeakPolarHBondContact OH-CG 3.39Å; Y262-F399 HydrophobicContact CD2-CD1 4.43Å; Y262-F399 HydrophobicContact CD2-CE1 4.22Å; Y262-F399 HydrophobicContact CE2-CD1 4.27Å; Y262-F399 AromaticContact CE2-CE1 3.73Å; Y262-F399 HydrophobicContact CE2-CE1 3.73Å; Y262-A403 HydrophobicContact CD1-CB 3.54Å; Y262-A403 HydrophobicContact CD2-CB 4.47Å; Y262-A403 HydrophobicContact CE1-CB 4.22Å; Y262-A403 WeakPolarHBondContact CE1-O 3.37Å; Y262-A403 HydrophobicContact CG-CB 3.68Å
263L97Very high96.1Very high0 Ų045 Ų450%022%0.216CC..Hα-helixtrans-62-37.7178.5-60.3174.5000112.1I164 T259 R261 L267 E268 E269I164-L263 HydrophobicContact CD1-CD1 3.43Å; I164-L263 VanDerWaalsContact CD1-CD1 3.43Å; T259-L263 HydrophobicContact CG2-CD1 3.71Å; T259-L263 HydrophobicContact CG2-CG 4.18Å; T259-L263 VanDerWaalsContact O-CG 3.29Å; T259-L263 WeakPolarHBondContact O-CG 3.45Å; T259-L263 PolarHBondContact O-N 3.08Å; R261-L263 VanDerWaalsContact C-N 3.31Å; R261-L263 PolarHBondContact O-N 3.23Å; L263-L267 HydrophobicContact CD2-CD1 3.43Å; L263-L267 VanDerWaalsContact CD2-CD1 3.43Å; L263-L267 HydrophobicContact CD2-CG 4.33Å; L263-L267 CarbonylContact O-C 3.59Å; L263-L267 VanDerWaalsContact O-C 3.28Å; L263-L267 WeakPolarHBondContact O-CA 3.24Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 2.76Å; L263-L267 VanDerWaalsContact O-N 3.12Å; L263-E268 PolarHBondContact O-N 3.38Å; L263-E268 VanDerWaalsContact O-N 3.09Å; L263-E269 HydrophobicContact CB-CB 4.12Å; L263-E269 PolarHBondContact O-N 2.7Å
264Y96.3Very high96.2Very high106 Ų10644 Ų4442%0.41621%0.208SC..Hα-helixtrans-70.6-48.7175.7175.9-105.8000112.9P223 Q260 R261 Y262 E269 P271P223-Y264 HydrophobicContact CG-CD1 4.19Å; P223-Y264 HydrophobicContact CG-CE1 3.57Å; P223-Y264 HydrophobicContact CG-CE2 4.07Å; Q260-Y264 WeakPolarHBondContact O-CB 3.22Å; Q260-Y264 PolarHBondContact O-N 3.26Å; Q260-Y264 VanDerWaalsContact O-N 3.16Å; R261-Y264 PolarHBondContact O-N 2.95Å; R261-Y264 VanDerWaalsContact O-N 3.16Å; Y262-Y264 VanDerWaalsContact C-N 3.28Å; Y262-Y264 PolarHBondContact O-N 3.1Å; Y264-E269 WeakPolarHBondContact CA-O 3.27Å; Y264-P271 HydrophobicContact CD2-CG 4.31Å
265E95.1Very high96.3Very high107 Ų10743.9 Ų43.950%0.521%0.207SC..Hα-helixtrans-78.1-29.1-172.7-68176.5176.800113R261 Y262R261-E265 WeakPolarHBondContact CD-OE1 3.21Å; R261-E265 HydrophobicContact CG-CG 4.04Å; R261-E265 VanDerWaalsContact CG-OE1 3.27Å; R261-E265 WeakPolarHBondContact CG-OE1 3.49Å; R261-E265 WeakPolarHBondContact CG-OE2 3.39Å; R261-E265 IonicContact NE-OE1 3.5Å; R261-E265 WeakPolarHBondContact O-CB 3.39Å; R261-E265 WeakPolarHBondContact O-CG 3.42Å; R261-E265 PolarHBondContact O-N 2.87Å; Y262-E265 PolarHBondContact O-N 3.47Å
266N95.6Very high96.3Very high95 Ų9544.1 Ų44.151%0.50821%0.21SC..Hα-helixtrans-115.7-25.2-171.8-59.890.1000114Y262Y262-N266 HydrophobicContact CD2-CB 4.03Å; Y262-N266 VanDerWaalsContact CD2-OD1 3.24Å; Y262-N266 WeakPolarHBondContact CD2-OD1 3.4Å; Y262-N266 HydrophobicContact CE2-CB 3.75Å; Y262-N266 VanDerWaalsContact O-CB 3.26Å; Y262-N266 WeakPolarHBondContact O-CB 3.36Å; Y262-N266 PolarHBondContact O-N 2.85Å; Y262-N266 PolarHBondContact O-OD1 3.04Å
267L95.4Very high96.2Very high43 Ų4344.4 Ų44.423%0.22521%0.211CC..Hα-helixtrans-118.43.3-176.8-51.5-174.1000113.5Y262 L263 E269 K407Y262-L267 HydrophobicContact CE1-CD1 4.1Å; Y262-L267 HydrophobicContact CE1-CG 4.18Å; L263-L267 HydrophobicContact CD2-CD1 3.43Å; L263-L267 VanDerWaalsContact CD2-CD1 3.43Å; L263-L267 HydrophobicContact CD2-CG 4.33Å; L263-L267 CarbonylContact O-C 3.59Å; L263-L267 VanDerWaalsContact O-C 3.28Å; L263-L267 WeakPolarHBondContact O-CA 3.24Å; L263-L267 WeakPolarHBondContact O-CB 3.47Å; L263-L267 PolarHBondContact O-N 2.76Å; L263-L267 VanDerWaalsContact O-N 3.12Å; L267-E269 HydrophobicContact CB-CG 4.13Å; L267-E269 PolarHBondContact O-N 3.1Å; L267-E269 VanDerWaalsContact O-N 3.16Å; L267-K407 HydrophobicContact CD1-CD 4.44Å
268E93.9Very high96.2Very high183 Ų18340.3 Ų40.386%0.85520%0.195SC*.  trans56.526.5179.6-57.2-179.1175.900113.9L263L263-E268 PolarHBondContact O-N 3.38Å; L263-E268 VanDerWaalsContact O-N 3.09Å
269E93.9Very high96.1Very high54 Ų5440 Ų4025%0.25220%0.196SC..PPolyproline II helixtrans-87.3147.8179.1-64.4-175.9-173.400112.1R167 L263 Y264 L267R167-E269 IonicContact CZ-OE2 2.71Å; R167-E269 IonicContact NH1-OE2 2.83Å; R167-E269 PolarHBondContact NH1-OE2 3.48Å; R167-E269 IonicContact NH2-OE2 3.11Å; L263-E269 HydrophobicContact CB-CB 4.12Å; L263-E269 PolarHBondContact O-N 2.7Å; Y264-E269 WeakPolarHBondContact CA-O 3.27Å; L267-E269 HydrophobicContact CB-CG 4.13Å; L267-E269 PolarHBondContact O-N 3.1Å; L267-E269 VanDerWaalsContact O-N 3.16Å
270S91.8Very high95.8Very high55 Ų5541.5 Ų41.539%0.38521%0.205SC..PPolyproline II helixtrans-66.4125.8174.8-71.20000111.3R167R167-S270 PolarHBondContact NH2-O 2.83Å
271P94.8Very high95.4Very high3 Ų342.8 Ų42.82%0.01922%0.22CC..PPolyproline II helixtrans-73.2140.4-179.229-34.5000111.4V222 P223 I225 Q260 Y264V222-P271 HydrophobicContact CG1-CB 3.36Å; V222-P271 HydrophobicContact CG1-CG 3.79Å; P223-P271 WeakPolarHBondContact O-CG 3.31Å; I225-P271 HydrophobicContact CG1-CG 4.03Å; Q260-P271 HydrophobicContact CB-CB 4.37Å; Y264-P271 HydrophobicContact CD2-CG 4.31Å
272V97.1Very high95.2Very high8 Ų843.1 Ų43.15%0.04823%0.232CC..PPolyproline II helixtrans-98.4127.4177.8-178.20000109.7V163 L174 V177V163-V272 HydrophobicContact CG1-CB 4.12Å; V163-V272 HydrophobicContact CG1-CG1 4.07Å; V163-V272 HydrophobicContact CG1-CG2 4.41Å; L174-V272 HydrophobicContact CB-CG2 4.34Å; L174-V272 HydrophobicContact CD2-CG1 4.15Å; L174-V272 HydrophobicContact CD2-CG2 4.04Å; L174-V272 HydrophobicContact CG-CG1 4.11Å; L174-V272 HydrophobicContact CG-CG2 4.09Å; V177-V272 HydrophobicContact CB-CG1 4.14Å; V177-V272 HydrophobicContact CG2-CG1 3.66Å
273Q97.5Very high94.7Very high23 Ų2345.3 Ų45.311%0.10725%0.246CC..EExtended strand (participates in β ladder)trans-71.6135.5171.1-59.8177.967.300110T175 A176 V177 L224 I225 P227 L229T175-Q273 WeakPolarHBondContact O-CB 3.48Å; T175-Q273 PolarHBondContact O-N 2.77Å; A176-Q273 CarbonylContact C-O 3.55Å; A176-Q273 VanDerWaalsContact CA-O 3.22Å; A176-Q273 WeakPolarHBondContact CA-O 3.48Å; A176-Q273 HydrophobicContact CB-CB 3.98Å; V177-Q273 PolarHBondContact N-O 2.77Å; L224-Q273 HydrophobicContact CD2-CG 3.99Å; I225-Q273 PolarHBondContact O-NE2 3.11Å; P227-Q273 PolarHBondContact O-NE2 2.87Å; L229-Q273 HydrophobicContact CB-CB 4Å; L229-Q273 HydrophobicContact CD2-CB 4.35Å
274Y97.6Very high94.3Very high27 Ų2749.6 Ų49.611%0.10627%0.272CS..EExtended strand (participates in β ladder)trans-129.4138.9-173.4-177.1-112.5000113.4A159 V163 V177 S179 D252 V253 V256 A276 F340A159-Y274 WeakPolarHBondContact CB-OH 3.17Å; V163-Y274 HydrophobicContact CG2-CD2 3.66Å; V163-Y274 HydrophobicContact CG2-CE2 3.67Å; V177-Y274 HydrophobicContact CB-CD2 4.24Å; V177-Y274 HydrophobicContact CG1-CD2 4.15Å; V177-Y274 HydrophobicContact CG1-CE2 4.29Å; V177-Y274 WeakPolarHBondContact O-CA 3.11Å; S179-Y274 WeakPolarHBondContact CB-OH 3.31Å; S179-Y274 VanDerWaalsContact OG-CZ 3.28Å; S179-Y274 PolarHBondContact OG-OH 3.42Å; D252-Y274 HydrophobicContact CB-CE1 4.01Å; V253-Y274 HydrophobicContact CG2-CD1 4.18Å; V253-Y274 HydrophobicContact CG2-CE1 4.22Å; V256-Y274 HydrophobicContact CB-CD1 3.61Å; V256-Y274 HydrophobicContact CB-CE1 3.98Å; V256-Y274 HydrophobicContact CB-CG 4.05Å; V256-Y274 HydrophobicContact CG1-CD1 3.73Å; V256-Y274 HydrophobicContact CG1-CD2 4.19Å; V256-Y274 HydrophobicContact CG1-CE1 4.39Å; V256-Y274 HydrophobicContact CG1-CG 3.6Å; V256-Y274 HydrophobicContact CG2-CD1 3.75Å; V256-Y274 HydrophobicContact CG2-CE1 3.57Å; V256-Y274 HydrophobicContact CG2-CE2 4.47Å; V256-Y274 HydrophobicContact CG2-CG 4.27Å; Y274-A276 HydrophobicContact CE1-CB 3.84Å; Y274-F340 HydrophobicContact CE2-CE1 4.45Å
275A97.4Very high93.9Very high7 Ų746.9 Ų46.96%0.05827%0.269CS..EExtended strand (participates in β ladder)trans-135.5141.4167.600000110V177 E178 S179 L229 Y277V177-A275 PolarHBondContact O-N 2.73Å; E178-A275 CarbonylContact C-O 3.49Å; E178-A275 VanDerWaalsContact CA-O 3.32Å; E178-A275 WeakPolarHBondContact CA-O 3.31Å; E178-A275 HydrophobicContact CG-CB 4.44Å; S179-A275 PolarHBondContact N-O 3.19Å; L229-A275 HydrophobicContact CD2-CB 3.8Å; A275-Y277 HydrophobicContact CB-CE2 3.74Å
276A97.2Very high93.5Very high7 Ų742 Ų426%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-121.4137.9-177.900000111.2S179 F248 D252 V253 Y274S179-A276 WeakPolarHBondContact OG-CA 3.46Å; F248-A276 HydrophobicContact CB-CB 3.93Å; F248-A276 HydrophobicContact CD1-CB 4.27Å; F248-A276 PolarHBondContact N-O 2.89Å; D252-A276 HydrophobicContact CB-CB 4.33Å; V253-A276 HydrophobicContact CG2-CB 3.96Å; Y274-A276 HydrophobicContact CE1-CB 3.84Å
277Y97.2Very high93.1Very high6 Ų641.4 Ų41.42%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-136.5158-178.7-53.5-86.1000110.9E178 S179 F180 L181 R232 I246 A275E178-Y277 HydrophobicContact CB-CD2 4.46Å; E178-Y277 HydrophobicContact CB-CE2 4.07Å; E178-Y277 HydrophobicContact CG-CE2 4.1Å; E178-Y277 WeakPolarHBondContact OE1-CE2 3.29Å; E178-Y277 PolarHBondContact OE1-OH 3.45Å; S179-Y277 WeakPolarHBondContact O-CD2 3.4Å; S179-Y277 PolarHBondContact O-N 3.22Å; F180-Y277 CarbonylContact C-O 3.13Å; F180-Y277 WeakPolarHBondContact CA-O 3.49Å; F180-Y277 HydrophobicContact CD1-CD2 4.38Å; F180-Y277 HydrophobicContact CD1-CG 4.4Å; F180-Y277 AromaticContact CE1-CD2 3.85Å; F180-Y277 HydrophobicContact CE1-CD2 3.85Å; F180-Y277 AromaticContact CE1-CG 3.99Å; F180-Y277 HydrophobicContact CE1-CG 3.99Å; F180-Y277 HydrophobicContact CE2-CD2 4.16Å; F180-Y277 AromaticContact CZ-CD2 3.72Å; F180-Y277 HydrophobicContact CZ-CD2 3.72Å; F180-Y277 HydrophobicContact CZ-CE2 4.2Å; F180-Y277 HydrophobicContact CZ-CG 4.32Å; L181-Y277 PolarHBondContact N-O 3.23Å; R232-Y277 HydrophobicContact CB-CE1 3.78Å; R232-Y277 HydrophobicContact CG-CE1 4.24Å; R232-Y277 WeakPolarHBondContact CG-OH 3.4Å; R232-Y277 PolarHBondContact N-OH 3.41Å; I246-Y277 CarbonylContact O-C 3.26Å; I246-Y277 WeakPolarHBondContact O-CA 3.27Å; I246-Y277 WeakPolarHBondContact O-CB 3.08Å; A275-Y277 HydrophobicContact CB-CE2 3.74Å
278V95.5Very high92.7Very high30 Ų3046.8 Ų46.818%0.18226%0.263CS..EExtended strand (participates in β ladder)trans-114.2130169.6-175.40000108.7L181 S245 I246 F248 V280L181-V278 HydrophobicContact CB-CG2 4.4Å; L181-V278 CarbonylContact O-C 3.59Å; L181-V278 WeakPolarHBondContact O-CA 3.14Å; S245-V278 CarbonylContact C-O 3.58Å; S245-V278 WeakPolarHBondContact CA-O 3.5Å; I246-V278 HydrophobicContact CG1-CB 4.44Å; I246-V278 PolarHBondContact N-O 2.67Å; I246-V278 PolarHBondContact O-N 3.06Å; F248-V278 HydrophobicContact CB-CG2 3.93Å; F248-V278 HydrophobicContact CD2-CG2 3.43Å; F248-V278 VanDerWaalsContact CD2-CG2 3.43Å; F248-V278 HydrophobicContact CE2-CG2 4.35Å; F248-V278 HydrophobicContact CG-CG2 4.1Å; V278-V280 HydrophobicContact CG1-CG1 4.23Å
279T95.8Very high92.4Very high17 Ų1741.6 Ų41.610%0.10424%0.241CC..EExtended strand (participates in β ladder)trans-82.2116.4171.6-52.90000108.8L181 T182 Y244L181-T279 PolarHBondContact O-N 3.37Å; T182-T279 WeakPolarHBondContact OG1-CB 3.25Å; T182-T279 PolarHBondContact OG1-OG1 3.05Å; Y244-T279 CarbonylContact O-C 3.49Å; Y244-T279 WeakPolarHBondContact O-CA 3.49Å
280V91.1Very high92Very high30 Ų3043.5 Ų43.518%0.18225%0.251CS..EExtended strand (participates in β ladder)trans-105.30.2-174.3-62.20000113.1Y244 I246 V278 S285 V286 L289Y244-V280 WeakPolarHBondContact O-CG2 3.38Å; Y244-V280 PolarHBondContact O-N 3.44Å; I246-V280 HydrophobicContact CD1-CG1 4.3Å; I246-V280 HydrophobicContact CG1-CG1 3.99Å; V278-V280 HydrophobicContact CG1-CG1 4.23Å; V280-S285 WeakPolarHBondContact O-CB 3.45Å; V280-S285 PolarHBondContact O-OG 2.87Å; V280-V286 HydrophobicContact CG2-CG2 3.54Å; V280-L289 HydrophobicContact CG1-CD2 3.7Å
281G90Very high91.8Very high32 Ų3247.9 Ų47.933%0.3326%0.264SS..EExtended strand (participates in β ladder)trans88.2-128.9177.900000112.8Y244Y244-G281 WeakPolarHBondContact CB-O 3.39Å; Y244-G281 WeakPolarHBondContact CD2-O 3.45Å; Y244-G281 PolarHBondContact N-O 3.04Å
282G91.1Very high91.4Very high37 Ų3748.9 Ų48.938%0.38127%0.272SS..SBendtrans-78.1170.6-175.300000114.6T284 S285 V286G282-T284 PolarHBondContact O-N 3.44Å; G282-S285 WeakPolarHBondContact O-CB 3.43Å; G282-S285 PolarHBondContact O-N 3.35Å; G282-S285 VanDerWaalsContact O-N 3.13Å; G282-V286 PolarHBondContact O-N 3.41Å
283I88.4Confident90.9Very high82 Ų8249.9 Ų49.942%0.42128%0.284SS..Hα-helixtrans-61.6-30.3179.5-167.362.9000112.6Y244 S285 V286 I287Y244-I283 HydrophobicContact CD1-CD1 4.44Å; Y244-I283 HydrophobicContact CD2-CB 4.36Å; Y244-I283 HydrophobicContact CE1-CD1 4.02Å; Y244-I283 HydrophobicContact CE2-CB 3.85Å; Y244-I283 HydrophobicContact CE2-CD1 4.23Å; I283-S285 PolarHBondContact O-N 3.25Å; I283-V286 HydrophobicContact CD1-CB 4.35Å; I283-V286 WeakPolarHBondContact O-CB 3.25Å; I283-V286 PolarHBondContact O-N 2.67Å; I283-I287 HydrophobicContact CG1-CD1 4.35Å; I283-I287 WeakPolarHBondContact O-CG1 3.18Å; I283-I287 PolarHBondContact O-N 3.18Å
284T87.6Confident90.5Very high90 Ų9054.1 Ų54.155%0.55231%0.307SS*.Hα-helixtrans-64-40.1176.251.20000111.9G282 I287 K288G282-T284 PolarHBondContact O-N 3.44Å; T284-I287 PolarHBondContact O-N 2.64Å; T284-K288 WeakPolarHBondContact O-CG 3.48Å; T284-K288 PolarHBondContact O-N 2.74Å; T284-K288 VanDerWaalsContact O-N 3.1Å
285S87.4Confident90.1Very high49 Ų4956.5 Ų56.534%0.34332%0.318SS..Hα-helixtrans-64.9-40.7174-58.10000111.7V280 G282 I283 I287 K288 L289V280-S285 WeakPolarHBondContact O-CB 3.45Å; V280-S285 PolarHBondContact O-OG 2.87Å; G282-S285 WeakPolarHBondContact O-CB 3.43Å; G282-S285 PolarHBondContact O-N 3.35Å; G282-S285 VanDerWaalsContact O-N 3.13Å; I283-S285 PolarHBondContact O-N 3.25Å; S285-I287 PolarHBondContact O-N 3.09Å; S285-K288 PolarHBondContact O-N 3.5Å; S285-L289 WeakPolarHBondContact O-CB 3.43Å; S285-L289 PolarHBondContact O-N 3.35Å
286V87.8Confident89.8Confident3 Ų357.2 Ų57.22%0.01832%0.32CS..Hα-helixtrans-57.9-50.3174.7177.40000110.5I235 Y244 V280 G282 I283 K288 L289 M290I235-V286 HydrophobicContact CD1-CG1 3.87Å; I235-V286 HydrophobicContact CG1-CG1 4.05Å; I235-V286 HydrophobicContact CG2-CG1 3.77Å; I235-V286 HydrophobicContact CG2-CG2 4.43Å; Y244-V286 HydrophobicContact CD1-CG2 4.34Å; Y244-V286 HydrophobicContact CD2-CG2 4.4Å; Y244-V286 HydrophobicContact CG-CG2 3.81Å; V280-V286 HydrophobicContact CG2-CG2 3.54Å; G282-V286 PolarHBondContact O-N 3.41Å; I283-V286 HydrophobicContact CD1-CB 4.35Å; I283-V286 WeakPolarHBondContact O-CB 3.25Å; I283-V286 PolarHBondContact O-N 2.67Å; V286-K288 PolarHBondContact O-N 3.34Å; V286-L289 PolarHBondContact O-N 2.71Å; V286-M290 HydrophobicContact CG1-CG 4.27Å; V286-M290 HydrophobicContact CG1-SD 4.17Å; V286-M290 WeakPolarHBondContact O-CG 3.08Å; V286-M290 PolarHBondContact O-N 2.9Å
287I87.3Confident89.5Confident84 Ų8460 Ų6043%0.43133%0.333SS..Hα-helixtrans-59.2-48.3-178.8-68.3166.1000110.5I283 T284 S285 L289 M290 F291I283-I287 HydrophobicContact CG1-CD1 4.35Å; I283-I287 WeakPolarHBondContact O-CG1 3.18Å; I283-I287 PolarHBondContact O-N 3.18Å; T284-I287 PolarHBondContact O-N 2.64Å; S285-I287 PolarHBondContact O-N 3.09Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 2.85Å; I287-M290 PolarHBondContact O-N 2.86Å; I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.59Å; I287-F291 VanDerWaalsContact O-CD2 3.24Å; I287-F291 WeakPolarHBondContact O-CD2 3.48Å; I287-F291 PolarHBondContact O-N 2.9Å
288K86.4Confident89.3Confident155 Ų15565.4 Ų65.467%0.67436%0.357SS*.Hα-helixtrans-56.8-45.7177-72.1177.2-176.8-178.90111.8T284 S285 V286 F291 A292T284-K288 WeakPolarHBondContact O-CG 3.48Å; T284-K288 PolarHBondContact O-N 2.74Å; T284-K288 VanDerWaalsContact O-N 3.1Å; S285-K288 PolarHBondContact O-N 3.5Å; V286-K288 PolarHBondContact O-N 3.34Å; K288-F291 PolarHBondContact O-N 3.12Å; K288-A292 WeakPolarHBondContact O-CB 3.42Å; K288-A292 PolarHBondContact O-N 3.25Å
289L86.6Confident89.1Confident75 Ų7565.7 Ų65.739%0.39336%0.356SS..Hα-helixtrans-69.1-35.5-178.8-170.363.1000112.4I246 V280 S285 V286 I287 A292 G293I246-L289 HydrophobicContact CD1-CD2 3.4Å; I246-L289 HydrophobicContact CD1-CG 4.43Å; I246-L289 HydrophobicContact CG1-CD2 4.41Å; V280-L289 HydrophobicContact CG1-CD2 3.7Å; S285-L289 WeakPolarHBondContact O-CB 3.43Å; S285-L289 PolarHBondContact O-N 3.35Å; V286-L289 PolarHBondContact O-N 2.71Å; I287-L289 VanDerWaalsContact C-N 3.31Å; I287-L289 PolarHBondContact O-N 2.85Å; L289-A292 PolarHBondContact O-N 2.83Å; L289-G293 PolarHBondContact O-N 3.11Å
290M86.6Confident89Confident94 Ų9465.1 Ų65.146%0.46335%0.352SS..Hα-helixtrans-62.6-47.2173.5-74.7-17575.600111.6I235 V286 I287 G293 L294I235-M290 HydrophobicContact CD1-CE 4.02Å; I235-M290 HydrophobicContact CD1-CG 4.32Å; I235-M290 HydrophobicContact CD1-SD 3.36Å; I235-M290 WeakPolarHBondContact CD1-SD 3.42Å; V286-M290 HydrophobicContact CG1-CG 4.27Å; V286-M290 HydrophobicContact CG1-SD 4.17Å; V286-M290 WeakPolarHBondContact O-CG 3.08Å; V286-M290 PolarHBondContact O-N 2.9Å; I287-M290 PolarHBondContact O-N 2.86Å; M290-G293 PolarHBondContact O-N 2.79Å; M290-L294 WeakPolarHBondContact O-CB 3.38Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 3.43Å
291F86.9Confident88.8Confident146 Ų14672.3 Ų72.364%0.6438%0.376SS*.Hα-helixtrans-60.9-46.5176.4-82.3-70.1000111.4I287 K288 G293 L294 F295I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.59Å; I287-F291 VanDerWaalsContact O-CD2 3.24Å; I287-F291 WeakPolarHBondContact O-CD2 3.48Å; I287-F291 PolarHBondContact O-N 2.9Å; K288-F291 PolarHBondContact O-N 3.12Å; F291-G293 VanDerWaalsContact C-N 3.34Å; F291-G293 PolarHBondContact O-N 2.86Å; F291-L294 PolarHBondContact O-N 3.25Å; F291-F295 WeakPolarHBondContact O-CB 3.13Å; F291-F295 PolarHBondContact O-N 3.47Å
292A86.6Confident88.8Confident25 Ų2576.7 Ų76.721%0.20739%0.386CS..Hα-helixtrans-60.8-41.8176.100000112.3K288 L289 F295 F296 F318K288-A292 WeakPolarHBondContact O-CB 3.42Å; K288-A292 PolarHBondContact O-N 3.25Å; L289-A292 PolarHBondContact O-N 2.83Å; A292-F295 PolarHBondContact O-N 2.98Å; A292-F296 VanDerWaalsContact O-CB 3.31Å; A292-F296 WeakPolarHBondContact O-CB 3.32Å; A292-F296 PolarHBondContact O-N 3.28Å; A292-F318 HydrophobicContact CB-CD2 3.91Å; A292-F318 HydrophobicContact CB-CE2 3.67Å
293G87.9Confident88.7Confident28 Ų2876.8 Ų76.829%0.28939%0.388SS..Hα-helixtrans-67.3-43.9179.100000113.3L289 M290 F291 F295 F296 L297L289-G293 PolarHBondContact O-N 3.11Å; M290-G293 PolarHBondContact O-N 2.79Å; F291-G293 VanDerWaalsContact C-N 3.34Å; F291-G293 PolarHBondContact O-N 2.86Å; G293-F295 VanDerWaalsContact C-N 3.34Å; G293-F296 PolarHBondContact O-N 3.11Å; G293-L297 WeakPolarHBondContact O-CB 3.35Å; G293-L297 VanDerWaalsContact O-CG 3.25Å; G293-L297 WeakPolarHBondContact O-CG 3.05Å; G293-L297 PolarHBondContact O-N 3.11Å
294L88.8Confident88.9Confident113 Ų11379.4 Ų79.459%0.59240%0.401SS*.Hα-helixtrans-63.1-43175.4-71.6174.8000111.2M290 F291 L297 F298M290-L294 WeakPolarHBondContact O-CB 3.38Å; M290-L294 WeakPolarHBondContact O-CG 3.42Å; M290-L294 PolarHBondContact O-N 3.43Å; F291-L294 PolarHBondContact O-N 3.25Å; L294-L297 PolarHBondContact O-N 3.21Å; L294-F298 WeakPolarHBondContact O-CB 3.5Å; L294-F298 PolarHBondContact O-N 2.94Å
295F88.8Confident89.2Confident77 Ų7775.4 Ų75.434%0.33838%0.378SS..Hα-helixtrans-60.5-49.6175.3-167.6-109.5000110.8F291 A292 G293 L297 F298 F299 F316F291-F295 WeakPolarHBondContact O-CB 3.13Å; F291-F295 PolarHBondContact O-N 3.47Å; A292-F295 PolarHBondContact O-N 2.98Å; G293-F295 VanDerWaalsContact C-N 3.34Å; F295-L297 PolarHBondContact O-N 2.94Å; F295-F298 WeakPolarHBondContact O-CB 3.36Å; F295-F298 PolarHBondContact O-N 2.92Å; F295-F299 HydrophobicContact CD1-CD2 4.24Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.88Å; F295-F299 HydrophobicContact CD2-CE2 3.88Å; F295-F299 HydrophobicContact CE1-CD2 4.13Å; F295-F299 AromaticContact CE1-CE2 3.84Å; F295-F299 HydrophobicContact CE1-CE2 3.84Å; F295-F299 HydrophobicContact CE2-CD2 4.2Å; F295-F299 AromaticContact CE2-CE2 3.38Å; F295-F299 HydrophobicContact CE2-CE2 3.38Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.34Å; F295-F299 HydrophobicContact CG-CE2 4.3Å; F295-F299 HydrophobicContact CZ-CD2 4.09Å; F295-F299 AromaticContact CZ-CE2 3.34Å; F295-F299 HydrophobicContact CZ-CE2 3.34Å; F295-F299 AromaticContact CZ-CZ 3.93Å; F295-F299 HydrophobicContact CZ-CZ 3.93Å; F295-F299 WeakPolarHBondContact O-CD2 3.42Å; F295-F299 PolarHBondContact O-N 2.91Å; F295-F299 VanDerWaalsContact O-N 3.16Å; F295-F316 HydrophobicContact CD1-CD1 4.12Å; F295-F316 AromaticContact CE1-CD1 3.35Å; F295-F316 HydrophobicContact CE1-CD1 3.35Å; F295-F316 AromaticContact CE1-CE1 3.51Å; F295-F316 HydrophobicContact CE1-CE1 3.51Å; F295-F316 HydrophobicContact CE1-CG 4.49Å; F295-F316 HydrophobicContact CZ-CD1 4.16Å; F295-F316 AromaticContact CZ-CE1 3.84Å; F295-F316 HydrophobicContact CZ-CE1 3.84Å
296F91.8Very high89.5Confident21 Ų2176.4 Ų76.49%0.09237%0.374CS..Hα-helixtrans-56.2-51.5175.6176.7-99.2000112.5W197 A200 I201 F204 A292 G293 F298 F299 V300 L309W197-F296 HydrophobicContact CE3-CE2 4.31Å; W197-F296 AromaticContact CH2-CD2 3.26Å; W197-F296 HydrophobicContact CH2-CD2 3.26Å; W197-F296 AromaticContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CE2 3.52Å; W197-F296 HydrophobicContact CH2-CG 4.31Å; W197-F296 AromaticContact CZ2-CD2 3.75Å; W197-F296 HydrophobicContact CZ2-CD2 3.75Å; W197-F296 AromaticContact CZ2-CE2 3.85Å; W197-F296 HydrophobicContact CZ2-CE2 3.85Å; W197-F296 AromaticContact CZ3-CD2 3.86Å; W197-F296 HydrophobicContact CZ3-CD2 3.86Å; W197-F296 AromaticContact CZ3-CE2 3.76Å; W197-F296 HydrophobicContact CZ3-CE2 3.76Å; A200-F296 HydrophobicContact CB-CZ 4.32Å; I201-F296 HydrophobicContact CG1-CE2 3.68Å; I201-F296 HydrophobicContact CG1-CZ 4.07Å; F204-F296 HydrophobicContact CB-CE1 4.09Å; F204-F296 AromaticContact CD2-CE1 3.7Å; F204-F296 HydrophobicContact CD2-CE1 3.7Å; F204-F296 HydrophobicContact CD2-CZ 4.18Å; F204-F296 HydrophobicContact CE2-CE1 4.38Å; F204-F296 AromaticContact CG-CE1 3.88Å; F204-F296 HydrophobicContact CG-CE1 3.88Å; A292-F296 VanDerWaalsContact O-CB 3.31Å; A292-F296 WeakPolarHBondContact O-CB 3.32Å; A292-F296 PolarHBondContact O-N 3.28Å; G293-F296 PolarHBondContact O-N 3.11Å; F296-F298 PolarHBondContact O-N 2.66Å; F296-F299 PolarHBondContact O-N 2.71Å; F296-V300 HydrophobicContact CD1-CG2 3.99Å; F296-V300 HydrophobicContact CD2-CG2 4.06Å; F296-V300 HydrophobicContact CE1-CG2 3.63Å; F296-V300 HydrophobicContact CE2-CG2 3.73Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.5Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 3.2Å; F296-L309 HydrophobicContact CD2-CD1 4.09Å; F296-L309 HydrophobicContact CD2-CD2 4.31Å; F296-L309 HydrophobicContact CE2-CD1 4.16Å
297L90.3Very high89.8Confident66 Ų6682.1 Ų82.135%0.34640%0.4SS..Hα-helixtrans-62-31.5-179.4-71.6173.6000112.7F204 G293 L294 F295 R301F204-L297 HydrophobicContact CD1-CD2 3.9Å; F204-L297 HydrophobicContact CE1-CD2 4.43Å; G293-L297 WeakPolarHBondContact O-CB 3.35Å; G293-L297 VanDerWaalsContact O-CG 3.25Å; G293-L297 WeakPolarHBondContact O-CG 3.05Å; G293-L297 PolarHBondContact O-N 3.11Å; L294-L297 PolarHBondContact O-N 3.21Å; F295-L297 PolarHBondContact O-N 2.94Å; L297-R301 WeakPolarHBondContact O-CG 3.48Å
298F91.7Very high90.2Very high119 Ų11981 Ų8152%0.52240%0.395SS..Hα-helixtrans-65-51173.5177.6-97.5000111.5L294 F295 F296 R301L294-F298 WeakPolarHBondContact O-CB 3.5Å; L294-F298 PolarHBondContact O-N 2.94Å; F295-F298 WeakPolarHBondContact O-CB 3.36Å; F295-F298 PolarHBondContact O-N 2.92Å; F296-F298 PolarHBondContact O-N 2.66Å; F298-R301 PolarHBondContact O-N 3.28Å
299F92.3Very high90.5Very high37 Ų3773.6 Ų73.616%0.16236%0.363CS..Hα-helixtrans-70-34-177.6-82.1-93.2000113.3F295 F296 R301 F302 G305 R306 L308 L309 F316F295-F299 HydrophobicContact CD1-CD2 4.24Å; F295-F299 HydrophobicContact CD1-CE2 4.28Å; F295-F299 HydrophobicContact CD2-CD2 4.32Å; F295-F299 AromaticContact CD2-CE2 3.88Å; F295-F299 HydrophobicContact CD2-CE2 3.88Å; F295-F299 HydrophobicContact CE1-CD2 4.13Å; F295-F299 AromaticContact CE1-CE2 3.84Å; F295-F299 HydrophobicContact CE1-CE2 3.84Å; F295-F299 HydrophobicContact CE2-CD2 4.2Å; F295-F299 AromaticContact CE2-CE2 3.38Å; F295-F299 HydrophobicContact CE2-CE2 3.38Å; F295-F299 HydrophobicContact CE2-CZ 4.19Å; F295-F299 HydrophobicContact CG-CD2 4.34Å; F295-F299 HydrophobicContact CG-CE2 4.3Å; F295-F299 HydrophobicContact CZ-CD2 4.09Å; F295-F299 AromaticContact CZ-CE2 3.34Å; F295-F299 HydrophobicContact CZ-CE2 3.34Å; F295-F299 AromaticContact CZ-CZ 3.93Å; F295-F299 HydrophobicContact CZ-CZ 3.93Å; F295-F299 WeakPolarHBondContact O-CD2 3.42Å; F295-F299 PolarHBondContact O-N 2.91Å; F295-F299 VanDerWaalsContact O-N 3.16Å; F296-F299 PolarHBondContact O-N 2.71Å; F299-R301 PolarHBondContact O-N 2.73Å; F299-F302 PolarHBondContact O-N 3.1Å; F299-G305 CarbonylContact O-C 3.13Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.25Å; F299-R306 PolarHBondContact O-N 3.26Å; F299-L308 HydrophobicContact CD1-CD1 4.26Å; F299-L308 HydrophobicContact CE1-CD1 3.86Å; F299-L309 HydrophobicContact CB-CD1 3.68Å; F299-L309 HydrophobicContact CB-CD2 3.9Å; F299-L309 HydrophobicContact CB-CG 3.77Å; F299-L309 HydrophobicContact CG-CD2 4.43Å; F299-F316 HydrophobicContact CD1-CE1 4.03Å; F299-F316 HydrophobicContact CD2-CE1 4.24Å; F299-F316 AromaticContact CE1-CE1 3.84Å; F299-F316 HydrophobicContact CE1-CE1 3.84Å; F299-F316 HydrophobicContact CE1-CZ 4.23Å; F299-F316 HydrophobicContact CE2-CE1 4.08Å; F299-F316 HydrophobicContact CG-CE1 4.25Å; F299-F316 AromaticContact CZ-CE1 3.88Å; F299-F316 HydrophobicContact CZ-CE1 3.88Å
300V92.7Very high90.9Very high4 Ų471.2 Ų71.22%0.02435%0.35CS..Hα-helixtrans-62.4-27.5-179.3167.60000112.9I201 F204 F296 F302 R306 L309I201-V300 HydrophobicContact CG2-CG2 4.42Å; F204-V300 HydrophobicContact CB-CG1 3.85Å; F296-V300 HydrophobicContact CD1-CG2 3.99Å; F296-V300 HydrophobicContact CD2-CG2 4.06Å; F296-V300 HydrophobicContact CE1-CG2 3.63Å; F296-V300 HydrophobicContact CE2-CG2 3.73Å; F296-V300 HydrophobicContact CG-CG2 4.21Å; F296-V300 HydrophobicContact CZ-CG2 3.5Å; F296-V300 WeakPolarHBondContact O-CG2 3.35Å; F296-V300 PolarHBondContact O-N 3.2Å; V300-F302 VanDerWaalsContact C-N 3.32Å; V300-F302 PolarHBondContact O-N 2.99Å; V300-R306 WeakPolarHBondContact O-CD 3.38Å; V300-R306 VanDerWaalsContact O-CG 3.24Å; V300-R306 WeakPolarHBondContact O-CG 3.32Å; V300-R306 PolarHBondContact O-NH1 2.84Å; V300-L309 HydrophobicContact CB-CD1 4.42Å; V300-L309 HydrophobicContact CG2-CD1 3.46Å; V300-L309 VanDerWaalsContact CG2-CD1 3.46Å
301R88.3Confident91.3Very high181 Ų18173 Ų7368%0.68336%0.356SS*.THydrogen-bonded Turntrans-63.4-33.8-176.7-77175169.6138.9-0.5113.6L297 F298 F299 R306L297-R301 WeakPolarHBondContact O-CG 3.48Å; F298-R301 PolarHBondContact O-N 3.28Å; F299-R301 PolarHBondContact O-N 2.73Å; R301-R306 PolarHBondContact O-NH1 2.87Å
302F88.8Confident91.6Very high124 Ų12470.7 Ų70.754%0.54435%0.345SS..SBendtrans-111.8148.1-172.7-51.2-80.8000111.7F299 V300 I304 G305 R306F299-F302 PolarHBondContact O-N 3.1Å; V300-F302 VanDerWaalsContact C-N 3.32Å; V300-F302 PolarHBondContact O-N 2.99Å; F302-I304 PolarHBondContact O-N 2.82Å; F302-G305 PolarHBondContact O-N 2.83Å; F302-G305 VanDerWaalsContact O-N 3.14Å; F302-R306 PolarHBondContact O-N 2.88Å
303G89.8Confident92Very high40 Ų4069.8 Ų69.841%0.41234%0.337SS..Hα-helixtrans-57.8-46.8-177.300000113.4G305 R306 Q307G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 2.77Å; G303-R306 PolarHBondContact O-N 3.39Å; G303-Q307 WeakPolarHBondContact O-CG 3.28Å; G303-Q307 PolarHBondContact O-N 3.28Å; G303-Q307 VanDerWaalsContact O-N 3.11Å
304I93.5Very high92.2Very high136 Ų13676.6 Ų76.670%0.69735%0.354SS*.Hα-helixtrans-62.6-41176.7-63.4170.4000110.8F302 R306 Q307 L308F302-I304 PolarHBondContact O-N 2.82Å; I304-R306 PolarHBondContact O-N 3.01Å; I304-Q307 WeakPolarHBondContact O-CB 3.26Å; I304-Q307 PolarHBondContact O-N 3.12Å; I304-Q307 VanDerWaalsContact O-N 3.15Å; I304-L308 HydrophobicContact CG2-CD1 4.47Å; I304-L308 PolarHBondContact O-N 3.03Å
305G93.5Very high92.3Very high6 Ų677.6 Ų77.66%0.06235%0.354CS..Hα-helixtrans-63.1-43179.100000112.3F299 F302 G303 Q307 L308 L309F299-G305 CarbonylContact O-C 3.13Å; F299-G305 VanDerWaalsContact O-C 3.26Å; F299-G305 VanDerWaalsContact O-CA 3.26Å; F299-G305 WeakPolarHBondContact O-CA 3.25Å; F302-G305 PolarHBondContact O-N 2.83Å; F302-G305 VanDerWaalsContact O-N 3.14Å; G303-G305 VanDerWaalsContact C-N 3.32Å; G303-G305 PolarHBondContact O-N 2.77Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 3.31Å; G305-L308 WeakPolarHBondContact O-CB 3.39Å; G305-L308 PolarHBondContact O-N 3.04Å; G305-L309 WeakPolarHBondContact O-CG 3.33Å; G305-L309 PolarHBondContact O-N 3.11Å
306R94.2Very high92.4Very high71 Ų7174.9 Ų74.927%0.26834%0.342SS..Hα-helixtrans-58.3-42.2171.6-67.8-170.4-66.7-90.46.5112.4I201 F299 V300 R301 F302 G303 I304 L308 L309 I310I201-R306 HydrophobicContact CG2-CB 3.94Å; I201-R306 HydrophobicContact CG2-CG 3.78Å; F299-R306 PolarHBondContact O-N 3.26Å; V300-R306 WeakPolarHBondContact O-CD 3.38Å; V300-R306 VanDerWaalsContact O-CG 3.24Å; V300-R306 WeakPolarHBondContact O-CG 3.32Å; V300-R306 PolarHBondContact O-NH1 2.84Å; R301-R306 PolarHBondContact O-NH1 2.87Å; F302-R306 PolarHBondContact O-N 2.88Å; G303-R306 PolarHBondContact O-N 3.39Å; I304-R306 PolarHBondContact O-N 3.01Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.18Å; R306-L309 PolarHBondContact O-N 3.26Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.29Å; R306-I310 PolarHBondContact O-N 3.27Å
307Q93.8Very high92.3Very high122 Ų12274.2 Ų74.257%0.5734%0.34SS*.Hα-helixtrans-62.8-38.8177.2-67.9-66.8-4.100112.3G303 I304 G305 I310 K311G303-Q307 WeakPolarHBondContact O-CG 3.28Å; G303-Q307 PolarHBondContact O-N 3.28Å; G303-Q307 VanDerWaalsContact O-N 3.11Å; I304-Q307 WeakPolarHBondContact O-CB 3.26Å; I304-Q307 PolarHBondContact O-N 3.12Å; I304-Q307 VanDerWaalsContact O-N 3.15Å; G305-Q307 VanDerWaalsContact C-N 3.32Å; G305-Q307 PolarHBondContact O-N 3.31Å; Q307-I310 PolarHBondContact O-N 2.82Å; Q307-K311 VanDerWaalsContact O-CB 3.24Å; Q307-K311 WeakPolarHBondContact O-CB 3.44Å; Q307-K311 PolarHBondContact O-N 3.14Å
308L94.6Very high92.3Very high61 Ų6177.3 Ų77.332%0.31935%0.351SS..Hα-helixtrans-64.2-47.1175-70.4173.1000112F299 I304 G305 R306 I310 K311 F312 F316F299-L308 HydrophobicContact CD1-CD1 4.26Å; F299-L308 HydrophobicContact CE1-CD1 3.86Å; I304-L308 HydrophobicContact CG2-CD1 4.47Å; I304-L308 PolarHBondContact O-N 3.03Å; G305-L308 WeakPolarHBondContact O-CB 3.39Å; G305-L308 PolarHBondContact O-N 3.04Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 3.18Å; L308-I310 VanDerWaalsContact C-N 3.27Å; L308-I310 PolarHBondContact O-N 3.3Å; L308-K311 PolarHBondContact O-N 3.11Å; L308-F312 HydrophobicContact CD2-CD2 4.34Å; L308-F312 HydrophobicContact CD2-CE2 4.14Å; L308-F312 PolarHBondContact O-N 3Å; L308-F316 HydrophobicContact CB-CE2 3.99Å; L308-F316 HydrophobicContact CB-CZ 3.94Å
309L94.2Very high92.1Very high0 Ų072.6 Ų72.60%034%0.336CS..Hα-helixtrans-57.2-41.4176.6-64.5172.7000111.5W197 I201 F296 F299 V300 G305 R306 F316W197-L309 HydrophobicContact CZ2-CB 4.45Å; W197-L309 HydrophobicContact CZ2-CD2 4.01Å; W197-L309 PolarHBondContact NE1-O 3.39Å; I201-L309 HydrophobicContact CD1-CB 3.48Å; I201-L309 VanDerWaalsContact CD1-CB 3.48Å; I201-L309 HydrophobicContact CD1-CD1 4.41Å; I201-L309 HydrophobicContact CG1-CB 4.11Å; I201-L309 HydrophobicContact CG1-CD1 4.13Å; F296-L309 HydrophobicContact CD2-CD1 4.09Å; F296-L309 HydrophobicContact CD2-CD2 4.31Å; F296-L309 HydrophobicContact CE2-CD1 4.16Å; F299-L309 HydrophobicContact CB-CD1 3.68Å; F299-L309 HydrophobicContact CB-CD2 3.9Å; F299-L309 HydrophobicContact CB-CG 3.77Å; F299-L309 HydrophobicContact CG-CD2 4.43Å; V300-L309 HydrophobicContact CB-CD1 4.42Å; V300-L309 HydrophobicContact CG2-CD1 3.46Å; V300-L309 VanDerWaalsContact CG2-CD1 3.46Å; G305-L309 WeakPolarHBondContact O-CG 3.33Å; G305-L309 PolarHBondContact O-N 3.11Å; R306-L309 PolarHBondContact O-N 3.26Å; L309-F316 HydrophobicContact CD2-CB 3.64Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.39Å; L309-F316 HydrophobicContact CD2-CG 3.7Å
310I94.1Very high92Very high25 Ų2577.2 Ų77.213%0.12835%0.354CS..Hα-helixtrans-72.1-40.7179-67.2168.1000111.8K198 I201 Y202 R306 Q307 L308K198-I310 HydrophobicContact CG-CG1 4.33Å; K198-I310 HydrophobicContact CG-CG2 4.39Å; I201-I310 HydrophobicContact CD1-CG1 3.7Å; Y202-I310 HydrophobicContact CE1-CD1 4.45Å; Y202-I310 HydrophobicContact CE2-CD1 4.1Å; Y202-I310 WeakPolarHBondContact OH-CD1 3.34Å; R306-I310 VanDerWaalsContact O-CG1 3.25Å; R306-I310 WeakPolarHBondContact O-CG1 3.29Å; R306-I310 PolarHBondContact O-N 3.27Å; Q307-I310 PolarHBondContact O-N 2.82Å; L308-I310 VanDerWaalsContact C-N 3.27Å; L308-I310 PolarHBondContact O-N 3.3Å
311K94.6Very high92Very high132 Ų13278.6 Ų78.657%0.57436%0.359SS*.Hα-helixtrans-70.3-38.7-175.1-172.5171.4178.6178.80111.7Q307 L308 P313 K323Q307-K311 VanDerWaalsContact O-CB 3.24Å; Q307-K311 WeakPolarHBondContact O-CB 3.44Å; Q307-K311 PolarHBondContact O-N 3.14Å; L308-K311 PolarHBondContact O-N 3.11Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.05Å; K311-K323 PolarHBondContact O-NZ 3.31Å; K311-K323 VanDerWaalsContact O-NZ 3.14Å
312F94Very high92.3Very high97 Ų9770.4 Ų70.443%0.42533%0.33SS..  trans-123.259.7-173.6-53.1-73000112.6L308 W314 F315 F316L308-F312 HydrophobicContact CD2-CD2 4.34Å; L308-F312 HydrophobicContact CD2-CE2 4.14Å; L308-F312 PolarHBondContact O-N 3Å; F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 3.14Å; F312-F315 HydrophobicContact CB-CB 4.32Å; F312-F315 PolarHBondContact O-N 3.11Å; F312-F316 HydrophobicContact CB-CD2 3.88Å; F312-F316 HydrophobicContact CB-CE2 4.09Å; F312-F316 HydrophobicContact CD2-CE2 4.31Å; F312-F316 WeakPolarHBondContact O-CD2 3.42Å; F312-F316 PolarHBondContact O-N 3.34Å; F312-F316 VanDerWaalsContact O-N 3.12Å
313P93.5Very high92.5Very high6 Ų669.6 Ų69.64%0.03933%0.326CS..Hα-helixtrans-59.6-41.1-17324.7-33.9000112.1D194 W197 K311 F315 F316 S317 F321 K323D194-P313 HydrophobicContact CB-CB 4.31Å; D194-P313 HydrophobicContact CB-CG 4.15Å; W197-P313 HydrophobicContact CG-CB 4.39Å; K311-P313 VanDerWaalsContact C-CD 3.42Å; K311-P313 WeakPolarHBondContact O-CD 3.05Å; P313-F315 PolarHBondContact O-N 3.08Å; P313-F316 PolarHBondContact O-N 3.13Å; P313-S317 WeakPolarHBondContact O-CB 3.49Å; P313-S317 PolarHBondContact O-N 3.32Å; P313-S317 PolarHBondContact O-OG 3.24Å; P313-F321 CarbonylContact C-O 3.21Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.33Å; P313-K323 HydrophobicContact CG-CG 4.03Å
314W92.2Very high92.6Very high170 Ų17075 Ų7564%0.64434%0.341SS*.Hα-helixtrans-60-44.9-179-174.592000112.4F312 F318 G319 F321F312-W314 VanDerWaalsContact C-N 3.31Å; F312-W314 PolarHBondContact O-N 3.14Å; W314-F318 PolarHBondContact O-N 3.31Å; W314-G319 PolarHBondContact O-N 3.38Å; W314-F321 WeakPolarHBondContact CA-O 3.27Å; W314-F321 PolarHBondContact N-O 3.22Å; W314-F321 VanDerWaalsContact N-O 3.07Å
315F91.7Very high92.6Very high135 Ų13569 Ų6959%0.59231%0.311SS*.Hα-helixtrans-68.2-50.9179.7179.2-97.4000111.6F312 P313 S317 F318F312-F315 HydrophobicContact CB-CB 4.32Å; F312-F315 PolarHBondContact O-N 3.11Å; P313-F315 PolarHBondContact O-N 3.08Å; F315-S317 PolarHBondContact O-N 2.99Å; F315-F318 PolarHBondContact O-N 3.32Å
316F91.1Very high92.7Very high19 Ų1969.4 Ų69.48%0.08331%0.313CS..Hα-helixtrans-74.5-12.7-175.6-78.7-85.7000114.3W197 F295 F299 L308 L309 F312 P313W197-F316 HydrophobicContact CZ2-CB 4.21Å; F295-F316 HydrophobicContact CD1-CD1 4.12Å; F295-F316 AromaticContact CE1-CD1 3.35Å; F295-F316 HydrophobicContact CE1-CD1 3.35Å; F295-F316 AromaticContact CE1-CE1 3.51Å; F295-F316 HydrophobicContact CE1-CE1 3.51Å; F295-F316 HydrophobicContact CE1-CG 4.49Å; F295-F316 HydrophobicContact CZ-CD1 4.16Å; F295-F316 AromaticContact CZ-CE1 3.84Å; F295-F316 HydrophobicContact CZ-CE1 3.84Å; F299-F316 HydrophobicContact CD1-CE1 4.03Å; F299-F316 HydrophobicContact CD2-CE1 4.24Å; F299-F316 AromaticContact CE1-CE1 3.84Å; F299-F316 HydrophobicContact CE1-CE1 3.84Å; F299-F316 HydrophobicContact CE1-CZ 4.23Å; F299-F316 HydrophobicContact CE2-CE1 4.08Å; F299-F316 HydrophobicContact CG-CE1 4.25Å; F299-F316 AromaticContact CZ-CE1 3.88Å; F299-F316 HydrophobicContact CZ-CE1 3.88Å; L308-F316 HydrophobicContact CB-CE2 3.99Å; L308-F316 HydrophobicContact CB-CZ 3.94Å; L309-F316 HydrophobicContact CD2-CB 3.64Å; L309-F316 HydrophobicContact CD2-CD1 3.52Å; L309-F316 HydrophobicContact CD2-CE1 4.39Å; L309-F316 HydrophobicContact CD2-CG 3.7Å; F312-F316 HydrophobicContact CB-CD2 3.88Å; F312-F316 HydrophobicContact CB-CE2 4.09Å; F312-F316 HydrophobicContact CD2-CE2 4.31Å; F312-F316 WeakPolarHBondContact O-CD2 3.42Å; F312-F316 PolarHBondContact O-N 3.34Å; F312-F316 VanDerWaalsContact O-N 3.12Å; P313-F316 PolarHBondContact O-N 3.13Å
317S89.8Confident92.7Very high7 Ų769.6 Ų69.65%0.04932%0.323CS..THydrogen-bonded Turntrans-105.77.4172.867.60000113.9P313 F315 G319 Y320 F321P313-S317 WeakPolarHBondContact O-CB 3.49Å; P313-S317 PolarHBondContact O-N 3.32Å; P313-S317 PolarHBondContact O-OG 3.24Å; F315-S317 PolarHBondContact O-N 2.99Å; S317-G319 PolarHBondContact O-N 3.07Å; S317-Y320 WeakPolarHBondContact O-CD2 3.4Å; S317-Y320 PolarHBondContact O-N 2.94Å; S317-Y320 PolarHBondContact OG-N 2.87Å; S317-F321 PolarHBondContact OG-N 3.16Å; S317-F321 PolarHBondContact OG-O 2.92Å
318F89.4Confident92.8Very high132 Ų13268 Ų6858%0.57932%0.315SS*.THydrogen-bonded Turntrans54.738.2-178-54.5-87.7000113.3A292 W314 F315A292-F318 HydrophobicContact CB-CD2 3.91Å; A292-F318 HydrophobicContact CB-CE2 3.67Å; W314-F318 PolarHBondContact O-N 3.31Å; F315-F318 PolarHBondContact O-N 3.32Å
319G88.1Confident92.8Very high20 Ų2072.2 Ų72.221%0.20633%0.331CS..THydrogen-bonded Turntrans90.3-8.7177.100000116W314 S317W314-G319 PolarHBondContact O-N 3.38Å; S317-G319 PolarHBondContact O-N 3.07Å
320Y89.8Confident92.9Very high134 Ų13473.7 Ų73.753%0.52534%0.338SS..SBendtrans-72.5-28.4-177.7-73.3-71000114.1S191 I192 S317S191-Y320 CarbonylContact C-O 3.52Å; S191-Y320 WeakPolarHBondContact CA-O 3.43Å; I192-Y320 PolarHBondContact N-O 2.97Å; S317-Y320 WeakPolarHBondContact O-CD2 3.4Å; S317-Y320 PolarHBondContact O-N 2.94Å; S317-Y320 PolarHBondContact OG-N 2.87Å
321F93.3Very high93Very high32 Ų3272.8 Ų72.814%0.1433%0.333CS..EExtended strand (participates in β ladder)trans-120.5132179.5-66.1-91.1000112.5I192 T196 W197 P313 W314 S317I192-F321 HydrophobicContact CB-CD1 3.64Å; I192-F321 HydrophobicContact CB-CE1 3.63Å; I192-F321 HydrophobicContact CB-CG 4.49Å; I192-F321 HydrophobicContact CB-CZ 4.44Å; I192-F321 HydrophobicContact CD1-CE1 4.02Å; I192-F321 HydrophobicContact CD1-CZ 4.07Å; I192-F321 HydrophobicContact CG1-CE1 4.4Å; I192-F321 HydrophobicContact CG2-CD1 3.84Å; I192-F321 HydrophobicContact CG2-CE1 3.57Å; I192-F321 CarbonylContact O-C 3.55Å; I192-F321 WeakPolarHBondContact O-CA 3.45Å; T196-F321 HydrophobicContact CG2-CE1 4.02Å; W197-F321 HydrophobicContact CB-CB 4.01Å; W197-F321 HydrophobicContact CB-CD1 3.63Å; W197-F321 HydrophobicContact CB-CD2 4.49Å; W197-F321 HydrophobicContact CB-CE1 4.18Å; W197-F321 HydrophobicContact CB-CG 3.79Å; W197-F321 HydrophobicContact CD2-CB 4.39Å; W197-F321 HydrophobicContact CD2-CD2 4.07Å; W197-F321 HydrophobicContact CD2-CG 4.15Å; W197-F321 HydrophobicContact CE3-CD1 4.44Å; W197-F321 AromaticContact CE3-CD2 3.43Å; W197-F321 HydrophobicContact CE3-CD2 3.43Å; W197-F321 VanDerWaalsContact CE3-CD2 3.43Å; W197-F321 AromaticContact CE3-CE2 3.53Å; W197-F321 HydrophobicContact CE3-CE2 3.53Å; W197-F321 AromaticContact CE3-CG 3.91Å; W197-F321 HydrophobicContact CE3-CG 3.91Å; W197-F321 HydrophobicContact CE3-CZ 4.09Å; W197-F321 HydrophobicContact CG-CB 4.18Å; W197-F321 HydrophobicContact CG-CD1 4.45Å; W197-F321 HydrophobicContact CG-CG 4.16Å; W197-F321 AromaticContact CZ3-CD2 3.91Å; W197-F321 HydrophobicContact CZ3-CD2 3.91Å; W197-F321 AromaticContact CZ3-CE2 3.9Å; W197-F321 HydrophobicContact CZ3-CE2 3.9Å; P313-F321 CarbonylContact C-O 3.21Å; P313-F321 VanDerWaalsContact C-O 3.29Å; P313-F321 HydrophobicContact CB-CB 4.33Å; W314-F321 WeakPolarHBondContact CA-O 3.27Å; W314-F321 PolarHBondContact N-O 3.22Å; W314-F321 VanDerWaalsContact N-O 3.07Å; S317-F321 PolarHBondContact OG-N 3.16Å; S317-F321 PolarHBondContact OG-O 2.92Å
322S93.8Very high93.1Very high9 Ų972 Ų726%0.06334%0.335CS..EExtended strand (participates in β ladder)trans-137.6156.9-178.380.70000112.2I192 H193 D194 Q324 G325I192-S322 PolarHBondContact O-N 3.42Å; H193-S322 CarbonylContact C-O 3.58Å; H193-S322 WeakPolarHBondContact CA-O 3.36Å; D194-S322 PolarHBondContact N-O 3.27Å; S322-Q324 VanDerWaalsContact C-N 3.27Å; S322-G325 WeakPolarHBondContact OG-CA 3.41Å; S322-G325 PolarHBondContact OG-N 3.14Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.13Å
323K93.3Very high93.2Very high108 Ų10869.6 Ų69.647%0.4733%0.333SS..SBendtrans-74.3-23.3174.9-66.2-175.8-179.2169.90112.2H193 D194 K311 P313H193-K323 PolarHBondContact CD2-O 2.98Å; H193-K323 PolarHBondContact NE2-O 3.41Å; D194-K323 HydrophobicContact CB-CG 4.36Å; K311-K323 PolarHBondContact O-NZ 3.31Å; K311-K323 VanDerWaalsContact O-NZ 3.14Å; P313-K323 HydrophobicContact CG-CG 4.03Å
324Q92.6Very high93.4Very high154 Ų15469.7 Ų69.772%0.7233%0.334SS*.SBendtrans-81.4-22.9177.6-65.278.88.600111.9F18 S322F18-Q324 WeakPolarHBondContact CE2-O 3.31Å; S322-Q324 VanDerWaalsContact C-N 3.27Å
325G93.4Very high93.7Very high8 Ų863.7 Ų63.78%0.08232%0.318CS..  trans75.9-174.1-168.800000112.7S322S322-G325 WeakPolarHBondContact OG-CA 3.41Å; S322-G325 PolarHBondContact OG-N 3.14Å; S322-G325 PolarHBondContact OG-O 2.68Å; S322-G325 VanDerWaalsContact OG-O 3.13Å
326P95.2Very high94Very high15 Ų1557.3 Ų57.310%0.09729%0.29CS..  trans-70.4155.4175.427.1-32.9000113.1S191 Q330 I331 Y371S191-P326 WeakPolarHBondContact O-CB 3.46Å; S191-P326 WeakPolarHBondContact O-CG 3.07Å; P326-Q330 HydrophobicContact CB-CB 4.18Å; P326-I331 HydrophobicContact CB-CG1 3.98Å; P326-I331 HydrophobicContact CG-CD1 4.01Å; P326-I331 HydrophobicContact CG-CG1 3.78Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.4Å
327T95.2Very high94.3Very high76 Ų7657.3 Ų57.347%0.46629%0.292SS..  trans-75.8159.3168.165.30000111.1K329 Q330 I331T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 2.8Å; T327-Q330 WeakPolarHBondContact O-CB 3.46Å; T327-Q330 PolarHBondContact O-N 3.05Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.38Å; T327-Q330 PolarHBondContact OG1-N 3.47Å; T327-Q330 PolarHBondContact OG1-OE1 3.14Å; T327-Q330 VanDerWaalsContact OG1-OE1 3.11Å; T327-I331 WeakPolarHBondContact O-CG1 3.41Å; T327-I331 PolarHBondContact O-N 3.25Å
328Q94.3Very high94.7Very high88 Ų8857.1 Ų57.141%0.41129%0.29SS..Hα-helixtrans-58.2-39.7176.7-168.46255.800112Q330 I331 D332Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.24Å; Q328-I331 WeakPolarHBondContact O-CB 3.47Å; Q328-I331 PolarHBondContact O-N 3.26Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; Q328-D332 PolarHBondContact NE2-OD1 3.03Å; Q328-D332 WeakPolarHBondContact O-CB 3.4Å; Q328-D332 PolarHBondContact O-N 3Å
329K95.6Very high95.1Very high150 Ų15051 Ų5165%0.65226%0.264SS*.Hα-helixtrans-61.2-39.6175.9-67.7-172-176.9-176.90113.2T327 I331 A333T327-K329 VanDerWaalsContact C-N 3.28Å; T327-K329 PolarHBondContact O-N 2.8Å; K329-I331 VanDerWaalsContact C-N 3.34Å; K329-A333 VanDerWaalsContact O-CB 3.3Å; K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.21Å; K329-A333 VanDerWaalsContact O-N 3.12Å
330Q96.3Very high95.6Very high31 Ų3150 Ų5015%0.14525%0.254CS..Hα-helixtrans-66.6-39175.7-74.4169.2-43.900111.1E188 P326 T327 Q328 A334E188-Q330 HydrophobicContact CB-CG 3.7Å; E188-Q330 PolarHBondContact O-NE2 2.94Å; P326-Q330 HydrophobicContact CB-CB 4.18Å; T327-Q330 WeakPolarHBondContact O-CB 3.46Å; T327-Q330 PolarHBondContact O-N 3.05Å; T327-Q330 VanDerWaalsContact O-N 3.11Å; T327-Q330 WeakPolarHBondContact OG1-CG 3.38Å; T327-Q330 PolarHBondContact OG1-N 3.47Å; T327-Q330 PolarHBondContact OG1-OE1 3.14Å; T327-Q330 VanDerWaalsContact OG1-OE1 3.11Å; Q328-Q330 VanDerWaalsContact C-N 3.34Å; Q328-Q330 PolarHBondContact O-N 3.24Å; Q330-A334 WeakPolarHBondContact O-CB 3.44Å; Q330-A334 PolarHBondContact O-N 2.83Å
331I96.4Very high96Very high6 Ų646 Ų463%0.03124%0.239CC..Hα-helixtrans-64-51.6175.2-63.8171.2000110.3F22 P326 T327 Q328 K329 A333 A334 E368 Y371 V372F22-I331 HydrophobicContact CE1-CD1 3.98Å; F22-I331 HydrophobicContact CZ-CD1 3.86Å; P326-I331 HydrophobicContact CB-CG1 3.98Å; P326-I331 HydrophobicContact CG-CD1 4.01Å; P326-I331 HydrophobicContact CG-CG1 3.78Å; T327-I331 WeakPolarHBondContact O-CG1 3.41Å; T327-I331 PolarHBondContact O-N 3.25Å; Q328-I331 WeakPolarHBondContact O-CB 3.47Å; Q328-I331 PolarHBondContact O-N 3.26Å; Q328-I331 VanDerWaalsContact O-N 3.14Å; K329-I331 VanDerWaalsContact C-N 3.34Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.86Å; I331-A334 PolarHBondContact O-N 2.87Å; I331-E368 HydrophobicContact CG2-CB 4.07Å; I331-E368 HydrophobicContact CG2-CG 4.37Å; I331-E368 WeakPolarHBondContact O-CB 3.36Å; I331-Y371 HydrophobicContact CD1-CD2 4.46Å; I331-Y371 HydrophobicContact CG1-CD2 4.49Å; I331-V372 HydrophobicContact CG2-CG2 3.49Å; I331-V372 VanDerWaalsContact CG2-CG2 3.49Å
332D95.7Very high96.2Very high115 Ų11544.6 Ų44.662%0.61523%0.234SC*.Hα-helixtrans-63.7-31.8-175-63.2-19.2000112.9Q328Q328-D332 PolarHBondContact NE2-OD1 3.03Å; Q328-D332 WeakPolarHBondContact O-CB 3.4Å; Q328-D332 PolarHBondContact O-N 3Å
333A96.9Very high96.3Very high47 Ų4746.9 Ų46.939%0.38824%0.244SC..THydrogen-bonded Turntrans-91.4-5.3-17900000113.9G186 K329 I331G186-A333 PolarHBondContact N-O 2.99Å; K329-A333 VanDerWaalsContact O-CB 3.3Å; K329-A333 WeakPolarHBondContact O-CB 3.46Å; K329-A333 PolarHBondContact O-N 3.21Å; K329-A333 VanDerWaalsContact O-N 3.12Å; I331-A333 VanDerWaalsContact C-N 3.26Å; I331-A333 PolarHBondContact O-N 2.86Å
334A97.3Very high96.4Very high7 Ų741.8 Ų41.86%0.05822%0.221CC..  trans-96.2148-178.900000112.1H184 L190 Q330 I331 E368H184-A334 VanDerWaalsContact O-CA 3.29Å; H184-A334 WeakPolarHBondContact O-CA 3.32Å; L190-A334 HydrophobicContact CD2-CB 3.83Å; Q330-A334 WeakPolarHBondContact O-CB 3.44Å; Q330-A334 PolarHBondContact O-N 2.83Å; I331-A334 PolarHBondContact O-N 2.87Å; A334-E368 HydrophobicContact CB-CB 3.92Å; A334-E368 HydrophobicContact CB-CG 3.66Å; A334-E368 PolarHBondContact O-N 3.11Å; A334-E368 VanDerWaalsContact O-N 3.11Å
335S97.9Very high96.5Very high44 Ų4434.4 Ų34.431%0.30819%0.187SC..EExtended strand (participates in β ladder)trans-152.5170.1174.356.70000110.4H184 G366H184-S335 PolarHBondContact N-O 2.85Å; H184-S335 PolarHBondContact O-N 2.84Å; S335-G366 WeakPolarHBondContact CA-O 3.21Å; S335-G366 VanDerWaalsContact CB-O 3.25Å; S335-G366 WeakPolarHBondContact CB-O 3.22Å
336F97.8Very high96.4Very high2 Ų235.7 Ų35.71%0.00920%0.195CC..EExtended strand (participates in β ladder)trans-128159.7172.475.3-93.5000112.3F154 P158 L181 T182 I183 L338 V364 G366 P367 A369 A373 V419F154-F336 AromaticContact CD2-CD1 3.92Å; F154-F336 HydrophobicContact CD2-CD1 3.92Å; F154-F336 AromaticContact CD2-CE1 3.73Å; F154-F336 HydrophobicContact CD2-CE1 3.73Å; F154-F336 HydrophobicContact CD2-CE2 4.4Å; F154-F336 HydrophobicContact CD2-CG 4.36Å; F154-F336 AromaticContact CD2-CZ 3.99Å; F154-F336 HydrophobicContact CD2-CZ 3.99Å; F154-F336 HydrophobicContact CE2-CB 4.22Å; F154-F336 AromaticContact CE2-CD1 3.5Å; F154-F336 HydrophobicContact CE2-CD1 3.5Å; F154-F336 VanDerWaalsContact CE2-CD1 3.5Å; F154-F336 AromaticContact CE2-CD2 3.61Å; F154-F336 HydrophobicContact CE2-CD2 3.61Å; F154-F336 AromaticContact CE2-CE1 3.66Å; F154-F336 HydrophobicContact CE2-CE1 3.66Å; F154-F336 AromaticContact CE2-CE2 3.75Å; F154-F336 HydrophobicContact CE2-CE2 3.75Å; F154-F336 AromaticContact CE2-CG 3.49Å; F154-F336 HydrophobicContact CE2-CG 3.49Å; F154-F336 VanDerWaalsContact CE2-CG 3.49Å; F154-F336 AromaticContact CE2-CZ 3.78Å; F154-F336 HydrophobicContact CE2-CZ 3.78Å; F154-F336 HydrophobicContact CZ-CB 4.47Å; F154-F336 HydrophobicContact CZ-CD1 4.47Å; F154-F336 HydrophobicContact CZ-CD2 4.36Å; F154-F336 HydrophobicContact CZ-CG 4.19Å; P158-F336 HydrophobicContact CB-CE2 4.36Å; P158-F336 HydrophobicContact CG-CZ 4.23Å; L181-F336 HydrophobicContact CD1-CB 4.1Å; L181-F336 HydrophobicContact CD1-CD2 4.42Å; T182-F336 CarbonylContact O-C 3.29Å; T182-F336 WeakPolarHBondContact O-CA 3.38Å; I183-F336 HydrophobicContact CD1-CB 3.81Å; F336-L338 HydrophobicContact CD2-CB 4.47Å; F336-V364 HydrophobicContact CE2-CG1 4.08Å; F336-V364 HydrophobicContact CZ-CG1 4.35Å; F336-G366 PolarHBondContact N-O 3.41Å; F336-G366 PolarHBondContact O-N 3.14Å; F336-P367 WeakPolarHBondContact CD1-O 3.39Å; F336-A369 HydrophobicContact CD1-CB 4.28Å; F336-A373 HydrophobicContact CE1-CB 3.72Å; F336-V419 HydrophobicContact CZ-CG1 4.28Å
337T98.1Very high95.9Very high18 Ų1842.5 Ų42.511%0.1123%0.225CC..EExtended strand (participates in β ladder)trans-136.3123.9165.1-56.40000108.6T182 H184 V364 K365T182-T337 PolarHBondContact N-O 3.11Å; T182-T337 PolarHBondContact O-N 3.45Å; H184-T337 PolarHBondContact NE2-OG1 3.07Å; H184-T337 VanDerWaalsContact NE2-OG1 3.07Å; T337-V364 CarbonylContact C-O 3.54Å; T337-V364 WeakPolarHBondContact CA-O 3.26Å; T337-K365 HydrophobicContact CG2-CG 3.95Å
338L98.3Very high94.9Very high4 Ų443 Ų432%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-108.9107.6173.5-172.360.4000108.2P158 A159 F180 L181 F336 F340 Q363 V364P158-L338 HydrophobicContact CB-CD2 3.9Å; A159-L338 HydrophobicContact CB-CD2 4.1Å; F180-L338 WeakPolarHBondContact O-CA 3.36Å; L181-L338 HydrophobicContact CB-CD1 3.85Å; L181-L338 HydrophobicContact CD1-CD1 4.44Å; F336-L338 HydrophobicContact CD2-CB 4.47Å; L338-F340 HydrophobicContact CB-CE2 4.1Å; L338-F340 HydrophobicContact CB-CZ 4.48Å; L338-F340 HydrophobicContact CD2-CE1 4.32Å; L338-F340 HydrophobicContact CD2-CE2 3.85Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.43Å; L338-F340 HydrophobicContact CG-CE2 3.6Å; L338-F340 HydrophobicContact CG-CZ 3.57Å; L338-F340 WeakPolarHBondContact O-CD2 3.25Å; L338-F340 WeakPolarHBondContact O-CE2 3.47Å; L338-Q363 CarbonylContact O-C 3.28Å; L338-Q363 WeakPolarHBondContact O-CA 3.45Å; L338-V364 HydrophobicContact CB-CB 4.38Å; L338-V364 PolarHBondContact N-O 2.98Å; L338-V364 PolarHBondContact O-N 2.88Å
339T98.6Very high94Very high3 Ų341.8 Ų41.82%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-97.8131.6-178-58.50000110.4S179 F180 L241 F341 Q363S179-T339 CarbonylContact C-O 3.58Å; S179-T339 VanDerWaalsContact CA-O 3.27Å; S179-T339 WeakPolarHBondContact CA-O 3.13Å; F180-T339 PolarHBondContact N-O 3.12Å; F180-T339 PolarHBondContact O-N 2.97Å; L241-T339 HydrophobicContact CD2-CG2 4.31Å; T339-F341 HydrophobicContact CG2-CD2 4.39Å; T339-F341 HydrophobicContact CG2-CE1 4.24Å; T339-F341 HydrophobicContact CG2-CE2 3.79Å; T339-F341 HydrophobicContact CG2-CZ 3.7Å; T339-Q363 HydrophobicContact CG2-CG 4.14Å; T339-Q363 PolarHBondContact OG1-NE2 2.83Å
340F98.6Very high92.8Very high0 Ų037 Ų370%024%0.235CC..EExtended strand (participates in β ladder)trans-111.6121.5-179.2-61.3-97.5000110P158 V163 V177 E178 Y274 L338 C361 T362 V364P158-F340 VanDerWaalsContact O-CZ 3.31Å; P158-F340 WeakPolarHBondContact O-CZ 3.37Å; V163-F340 HydrophobicContact CG2-CD1 4.36Å; V163-F340 HydrophobicContact CG2-CE1 4.16Å; V177-F340 HydrophobicContact CG1-CB 4.08Å; V177-F340 HydrophobicContact CG1-CD1 3.69Å; V177-F340 HydrophobicContact CG1-CG 4.39Å; E178-F340 WeakPolarHBondContact O-CA 3.47Å; Y274-F340 HydrophobicContact CE2-CE1 4.45Å; L338-F340 HydrophobicContact CB-CE2 4.1Å; L338-F340 HydrophobicContact CB-CZ 4.48Å; L338-F340 HydrophobicContact CD2-CE1 4.32Å; L338-F340 HydrophobicContact CD2-CE2 3.85Å; L338-F340 HydrophobicContact CD2-CZ 3.4Å; L338-F340 HydrophobicContact CG-CE1 4.43Å; L338-F340 HydrophobicContact CG-CE2 3.6Å; L338-F340 HydrophobicContact CG-CZ 3.57Å; L338-F340 WeakPolarHBondContact O-CD2 3.25Å; L338-F340 WeakPolarHBondContact O-CE2 3.47Å; F340-C361 VanDerWaalsContact O-CA 3.28Å; F340-C361 WeakPolarHBondContact O-CA 3.14Å; F340-T362 PolarHBondContact N-O 2.86Å; F340-T362 PolarHBondContact O-N 2.81Å; F340-T362 VanDerWaalsContact O-N 3.12Å; F340-V364 HydrophobicContact CE2-CB 4.33Å; F340-V364 HydrophobicContact CE2-CG2 3.73Å; F340-V364 HydrophobicContact CZ-CG2 4.43Å
341F98.1Very high91.6Very high48 Ų4837.1 Ų37.121%0.21124%0.238CC..EExtended strand (participates in β ladder)trans-102.3104.3169.8-63.5-72.8000109.1V177 E178 F180 E240 L241 T339 C361V177-F341 WeakPolarHBondContact CA-O 3.38Å; E178-F341 PolarHBondContact N-O 2.93Å; E178-F341 PolarHBondContact O-N 3.42Å; F180-F341 AromaticContact CD2-CD2 3.59Å; F180-F341 HydrophobicContact CD2-CD2 3.59Å; F180-F341 AromaticContact CD2-CE2 3.79Å; F180-F341 HydrophobicContact CD2-CE2 3.79Å; F180-F341 AromaticContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CD2 3.57Å; F180-F341 HydrophobicContact CE2-CE2 4.03Å; E240-F341 HydrophobicContact CB-CE1 3.98Å; E240-F341 HydrophobicContact CB-CE2 4.35Å; E240-F341 HydrophobicContact CB-CZ 3.53Å; E240-F341 HydrophobicContact CG-CE1 4.07Å; E240-F341 HydrophobicContact CG-CZ 4.05Å; L241-F341 HydrophobicContact CD1-CE2 4.32Å; L241-F341 HydrophobicContact CD2-CZ 4.39Å; L241-F341 HydrophobicContact CG-CE2 4.29Å; L241-F341 HydrophobicContact CG-CZ 4.39Å; T339-F341 HydrophobicContact CG2-CD2 4.39Å; T339-F341 HydrophobicContact CG2-CE1 4.24Å; T339-F341 HydrophobicContact CG2-CE2 3.79Å; T339-F341 HydrophobicContact CG2-CZ 3.7Å; F341-C361 HydrophobicContact CD1-CB 4.3Å; F341-C361 HydrophobicContact CE1-CB 4.35Å
342G97.3Very high90.1Very high3 Ų343.9 Ų43.93%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-95.8144.4178.700000112.3A176 K359 I360A176-G342 CarbonylContact O-C 3.54Å; A176-G342 WeakPolarHBondContact O-CA 3.41Å; G342-K359 VanDerWaalsContact O-CA 3.27Å; G342-K359 WeakPolarHBondContact O-CA 3.3Å; G342-I360 PolarHBondContact N-O 3.21Å; G342-I360 PolarHBondContact O-N 3.49Å
343Q96Very high88.5Confident58 Ų5847.9 Ų47.927%0.27129%0.286SS..EExtended strand (participates in β ladder)trans-131.1144.6170.562.9176.819.100110.8T175 A176 P356 I358T175-Q343 PolarHBondContact N-O 3.2Å; T175-Q343 PolarHBondContact OG1-O 2.66Å; A176-Q343 HydrophobicContact CB-CG 3.77Å; A176-Q343 PolarHBondContact N-O 3.45Å; A176-Q343 VanDerWaalsContact N-O 3.12Å; A176-Q343 PolarHBondContact O-N 2.8Å; Q343-P356 HydrophobicContact CB-CB 4.18Å; Q343-I358 WeakPolarHBondContact CA-O 3.25Å
344G94.8Very high87.2Confident0 Ų049.6 Ų49.60%029%0.289CS..EExtended strand (participates in β ladder)trans-166-161.1-17500000113.9T173 P356 N357 I358T173-G344 CarbonylContact O-C 3.48Å; T173-G344 WeakPolarHBondContact O-CA 3.44Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.37Å; G344-P356 VanDerWaalsContact O-CB 3.3Å; G344-P356 WeakPolarHBondContact O-CB 3.44Å; G344-N357 PolarHBondContact O-N 2.88Å; G344-I358 PolarHBondContact N-O 3.24Å; G344-I358 VanDerWaalsContact O-CG1 3.29Å; G344-I358 WeakPolarHBondContact O-CG1 3.25Å; G344-I358 PolarHBondContact O-N 2.79Å
345Y94Very high86.6Confident0 Ų058 Ų580%032%0.324CS..EExtended strand (participates in β ladder)trans-121136.7-177.6-63.1-92.8000111.1G172 T173 T175 P227 L349 T351 N354 P356 N357 I358G172-Y345 CarbonylContact C-O 3.48Å; G172-Y345 VanDerWaalsContact CA-O 3.22Å; G172-Y345 WeakPolarHBondContact CA-O 3.25Å; T173-Y345 PolarHBondContact N-O 3.39Å; T173-Y345 PolarHBondContact O-N 3.13Å; T175-Y345 HydrophobicContact CG2-CD2 3.68Å; T175-Y345 HydrophobicContact CG2-CE2 3.73Å; P227-Y345 WeakPolarHBondContact CD-OH 3.48Å; Y345-L349 HydrophobicContact CD1-CD2 3.84Å; Y345-T351 HydrophobicContact CD2-CG2 3.83Å; Y345-T351 HydrophobicContact CE2-CG2 4.11Å; Y345-T351 HydrophobicContact CG-CG2 4.27Å; Y345-N354 HydrophobicContact CE1-CB 4.03Å; Y345-N354 WeakPolarHBondContact CE1-O 3.39Å; Y345-N354 PolarHBondContact OH-O 3.11Å; Y345-P356 HydrophobicContact CE2-CG 4.17Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.48Å; Y345-I358 VanDerWaalsContact C-CD1 3.44Å; Y345-I358 VanDerWaalsContact O-CD1 3.28Å; Y345-I358 WeakPolarHBondContact O-CD1 3.3Å
346S91.4Very high86.3Confident35 Ų3557.5 Ų57.525%0.24532%0.319CS..EExtended strand (participates in β ladder)trans-57.6151.7169.456.30000111.3G348 L349 N357S346-G348 PolarHBondContact O-N 2.86Å; S346-L349 WeakPolarHBondContact O-CB 3.5Å; S346-L349 PolarHBondContact O-N 2.84Å; S346-N357 PolarHBondContact N-OD1 2.92Å; S346-N357 PolarHBondContact OG-ND2 3.03Å
347Q85.3Confident86Confident157 Ų15761.6 Ų61.673%0.73434%0.341SS*.THydrogen-bonded Turntrans-51.9136.9179-163.4177.48.900112L349Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.07Å
348G75Confident85.8Confident88 Ų8862.6 Ų62.691%0.90735%0.346SS*.THydrogen-bonded Turntrans80.6-4.1178.800000115.9S346S346-G348 PolarHBondContact O-N 2.86Å
349L74.8Confident85.7Confident62 Ų6271.3 Ų71.333%0.32538%0.383SS..  trans-91.3125.9176.3-144.8108.4000110.9Y345 S346 Q347 N354Y345-L349 HydrophobicContact CD1-CD2 3.84Å; S346-L349 WeakPolarHBondContact O-CB 3.5Å; S346-L349 PolarHBondContact O-N 2.84Å; Q347-L349 VanDerWaalsContact C-N 3.3Å; Q347-L349 PolarHBondContact O-N 3.07Å; L349-N354 HydrophobicContact CD2-CB 3.63Å; L349-N354 VanDerWaalsContact CD2-ND2 3.26Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.2Å
350G71.1Confident85.6Confident49 Ų4972.8 Ų72.851%0.50539%0.391SS..  trans-64.8141.9176.300000113
351T70.8Confident85.6Confident34 Ų3476.3 Ų76.321%0.20941%0.414CS..THydrogen-bonded Turntrans-82.8-8.8-175.148.20000114I225 Y345I225-T351 HydrophobicContact CG2-CG2 3.63Å; Y345-T351 HydrophobicContact CD2-CG2 3.83Å; Y345-T351 HydrophobicContact CE2-CG2 4.11Å; Y345-T351 HydrophobicContact CG-CG2 4.27Å
352D65.2Low85.6Confident147 Ų14774.6 Ų74.679%0.78641%0.408SS*.THydrogen-bonded Turntrans-87-17.9-165-66-32.6000115.8
353K61.6Low85.6Confident200 Ų20077.6 Ų77.687%0.8742%0.421SS*.THydrogen-bonded Turntrans-137.6-14.3-174.1-65.7-173.5-178.3178.10115.9
354N70.1Confident85.7Confident83 Ų8374.9 Ų74.944%0.44441%0.408SS..SBendtrans-98.9150.6-173.9-67.5-33000111.3Y345 L349Y345-N354 HydrophobicContact CE1-CB 4.03Å; Y345-N354 WeakPolarHBondContact CE1-O 3.39Å; Y345-N354 PolarHBondContact OH-O 3.11Å; L349-N354 HydrophobicContact CD2-CB 3.63Å; L349-N354 VanDerWaalsContact CD2-ND2 3.26Å; L349-N354 WeakPolarHBondContact CD2-ND2 3.2Å
355K84.8Confident85.9Confident184 Ų18479.4 Ų79.480%0.843%0.428SS*.PPolyproline II helixtrans-70.8145.3166.4-69.8-179.4-178.9173.40108.8N357K355-N357 PolarHBondContact O-N 3.39Å
356P90.1Very high86.1Confident33 Ų3380 Ų8021%0.21443%0.434CS..PPolyproline II helixtrans-50.4128.1170.1-27.234.8000110.5P227 Q343 G344 Y345P227-P356 HydrophobicContact CG-CG 3.88Å; Q343-P356 HydrophobicContact CB-CB 4.18Å; G344-P356 CarbonylContact O-C 3.49Å; G344-P356 WeakPolarHBondContact O-CA 3.37Å; G344-P356 VanDerWaalsContact O-CB 3.3Å; G344-P356 WeakPolarHBondContact O-CB 3.44Å; Y345-P356 HydrophobicContact CE2-CG 4.17Å
357N91.3Very high86.3Confident87 Ų8780 Ų8047%0.46543%0.434SS..  trans-111.6-8.7-174.268.8-26.9000113.3G344 Y345 S346 K355G344-N357 PolarHBondContact O-N 2.88Å; Y345-N357 WeakPolarHBondContact CA-OD1 3.48Å; S346-N357 PolarHBondContact N-OD1 2.92Å; S346-N357 PolarHBondContact OG-ND2 3.03Å; K355-N357 PolarHBondContact O-N 3.39Å
358I94.3Very high86.9Confident40 Ų4073.5 Ų73.521%0.20540%0.403CS..EExtended strand (participates in β ladder)trans-117.814617560.4171.5000110.8M170 Q343 G344 Y345M170-I358 HydrophobicContact CE-CD1 3.82Å; M170-I358 HydrophobicContact CE-CG1 3.86Å; M170-I358 HydrophobicContact CG-CD1 3.46Å; M170-I358 VanDerWaalsContact CG-CD1 3.46Å; M170-I358 HydrophobicContact SD-CD1 3.42Å; M170-I358 WeakPolarHBondContact SD-CD1 3.28Å; M170-I358 HydrophobicContact SD-CG1 3.99Å; Q343-I358 WeakPolarHBondContact CA-O 3.25Å; G344-I358 PolarHBondContact N-O 3.24Å; G344-I358 VanDerWaalsContact O-CG1 3.29Å; G344-I358 WeakPolarHBondContact O-CG1 3.25Å; G344-I358 PolarHBondContact O-N 2.79Å; Y345-I358 VanDerWaalsContact C-CD1 3.44Å; Y345-I358 VanDerWaalsContact O-CD1 3.28Å; Y345-I358 WeakPolarHBondContact O-CD1 3.3Å
359K95.9Very high87.9Confident186 Ų18670 Ų7081%0.80937%0.365SS*.EExtended strand (participates in β ladder)trans-130.2148.1174.6-65.7-177.7-179.71800109.1G342G342-K359 VanDerWaalsContact O-CA 3.27Å; G342-K359 WeakPolarHBondContact O-CA 3.3Å
360I97.5Very high88.9Confident35 Ų3568.1 Ų68.118%0.17936%0.361CS..EExtended strand (participates in β ladder)trans-136.9148.3174.3-168170.5000109.1T166 K169 M170 L174 G342 T362T166-I360 HydrophobicContact CG2-CG2 3.41Å; T166-I360 VanDerWaalsContact CG2-CG2 3.41Å; K169-I360 HydrophobicContact CB-CD1 3.74Å; M170-I360 HydrophobicContact CB-CD1 4.35Å; M170-I360 HydrophobicContact CE-CB 3.89Å; M170-I360 HydrophobicContact CE-CG2 3.51Å; L174-I360 HydrophobicContact CD1-CG2 4.49Å; G342-I360 PolarHBondContact N-O 3.21Å; G342-I360 PolarHBondContact O-N 3.49Å; I360-T362 HydrophobicContact CD1-CG2 4Å; I360-T362 HydrophobicContact CG1-CG2 4.08Å
361C97.9Very high90.1Very high73 Ų7366.1 Ų66.149%0.49334%0.338SS..EExtended strand (participates in β ladder)trans-123.8121.5169.6-174.30000108.2F340 F341F340-C361 VanDerWaalsContact O-CA 3.28Å; F340-C361 WeakPolarHBondContact O-CA 3.14Å; F341-C361 HydrophobicContact CD1-CB 4.3Å; F341-C361 HydrophobicContact CE1-CB 4.35Å
362T98.4Very high91.3Very high13 Ų1366.8 Ų66.88%0.0834%0.342CS..EExtended strand (participates in β ladder)trans-124.1161.4172.561.30000109.7Y165 T166 F340 I360Y165-T362 HydrophobicContact CD1-CG2 4.07Å; Y165-T362 HydrophobicContact CE1-CG2 3.9Å; T166-T362 HydrophobicContact CG2-CG2 4.43Å; T166-T362 PolarHBondContact OG1-OG1 3.34Å; F340-T362 PolarHBondContact N-O 2.86Å; F340-T362 PolarHBondContact O-N 2.81Å; F340-T362 VanDerWaalsContact O-N 3.12Å; I360-T362 HydrophobicContact CD1-CG2 4Å; I360-T362 HydrophobicContact CG1-CG2 4.08Å
363Q98Very high92.9Very high66 Ų6659.9 Ų59.931%0.30831%0.305SS..EExtended strand (participates in β ladder)trans-142.9123.2-174.8-65.1-167.3-48.800111.7L338 T339 E421L338-Q363 CarbonylContact O-C 3.28Å; L338-Q363 WeakPolarHBondContact O-CA 3.45Å; T339-Q363 HydrophobicContact CG2-CG 4.14Å; T339-Q363 PolarHBondContact OG1-NE2 2.83Å; Q363-E421 CarbonylContact O-C 3.58Å; Q363-E421 WeakPolarHBondContact O-CA 3.41Å
364V98.1Very high94.7Very high0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-92123.7165.7-173.70000109.1P158 F336 T337 L338 F340 V419 H420 E421P158-V364 HydrophobicContact CB-CG1 4.09Å; F336-V364 HydrophobicContact CE2-CG1 4.08Å; F336-V364 HydrophobicContact CZ-CG1 4.35Å; T337-V364 CarbonylContact C-O 3.54Å; T337-V364 WeakPolarHBondContact CA-O 3.26Å; L338-V364 HydrophobicContact CB-CB 4.38Å; L338-V364 PolarHBondContact N-O 2.98Å; L338-V364 PolarHBondContact O-N 2.88Å; F340-V364 HydrophobicContact CE2-CB 4.33Å; F340-V364 HydrophobicContact CE2-CG2 3.73Å; F340-V364 HydrophobicContact CZ-CG2 4.43Å; V364-V419 HydrophobicContact CG1-CG1 3.84Å; V364-H420 CarbonylContact C-O 3.59Å; V364-H420 VanDerWaalsContact CA-O 3.25Å; V364-H420 WeakPolarHBondContact CA-O 3.47Å; V364-E421 HydrophobicContact CG1-CG 4.24Å; V364-E421 HydrophobicContact CG2-CB 4.12Å; V364-E421 HydrophobicContact CG2-CG 3.77Å
365K98.1Very high96Very high96 Ų9647 Ų4742%0.41725%0.246SC..EExtended strand (participates in β ladder)trans-122.3139.3178.6-66.3175.8-174.4166.90109.3T337 V419 H420T337-K365 HydrophobicContact CG2-CG 3.95Å; K365-V419 CarbonylContact O-C 3.55Å; K365-V419 WeakPolarHBondContact O-CA 3.24Å; K365-H420 PolarHBondContact N-O 3.5Å; K365-H420 PolarHBondContact O-N 3.26Å
366G97.6Very high96.6Very high11 Ų1138.7 Ų38.711%0.11321%0.211CC..EExtended strand (participates in β ladder)trans-157.2175.9177.600000112.8S335 F336 G418S335-G366 WeakPolarHBondContact CA-O 3.21Å; S335-G366 VanDerWaalsContact CB-O 3.25Å; S335-G366 WeakPolarHBondContact CB-O 3.22Å; F336-G366 PolarHBondContact N-O 3.41Å; F336-G366 PolarHBondContact O-N 3.14Å; G366-G418 WeakPolarHBondContact CA-O 3.19Å
367P97.5Very high97Very high37 Ų3737.3 Ų37.324%0.2420%0.202CC..EExtended strand (participates in β ladder)trans-68.1-167.3175.233.2-38.2000110.3F336 A369 V372 A373 I376 G418F336-P367 WeakPolarHBondContact CD1-O 3.39Å; P367-A369 PolarHBondContact O-N 3.45Å; P367-V372 HydrophobicContact CB-CB 4.02Å; P367-V372 HydrophobicContact CB-CG1 3.73Å; P367-V372 HydrophobicContact CG-CB 3.86Å; P367-V372 HydrophobicContact CG-CG1 3.41Å; P367-V372 VanDerWaalsContact CG-CG1 3.41Å; P367-A373 HydrophobicContact CG-CB 4.36Å; P367-I376 HydrophobicContact CG-CD1 4.35Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.49Å
368E97.2Very high97.4Very high20 Ų2033.2 Ų33.29%0.09318%0.18CC..  trans-50.1132.9177-167.8-75.5140.700112.3I331 A334 G370 Y371 V372 A373I331-E368 HydrophobicContact CG2-CB 4.07Å; I331-E368 HydrophobicContact CG2-CG 4.37Å; I331-E368 WeakPolarHBondContact O-CB 3.36Å; A334-E368 HydrophobicContact CB-CB 3.92Å; A334-E368 HydrophobicContact CB-CG 3.66Å; A334-E368 PolarHBondContact O-N 3.11Å; A334-E368 VanDerWaalsContact O-N 3.11Å; E368-G370 PolarHBondContact OE1-N 3.35Å; E368-G370 PolarHBondContact OE2-N 3.1Å; E368-G370 VanDerWaalsContact OE2-N 3.1Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.43Å; E368-Y371 WeakPolarHBondContact OE2-CB 3.3Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.37Å; E368-Y371 PolarHBondContact OE2-N 3.37Å; E368-V372 HydrophobicContact CB-CG2 4.23Å; E368-V372 PolarHBondContact O-N 3Å; E368-A373 WeakPolarHBondContact O-CB 3.32Å; E368-A373 PolarHBondContact O-N 3.34Å
369A96.1Very high97.6Very high14 Ų1431.3 Ų31.312%0.11617%0.17CC..Iπ-helixtrans-66.5-45.4-167.100000114.1F154 F336 P367 T374F154-A369 HydrophobicContact CB-CB 4.39Å; F154-A369 WeakPolarHBondContact CB-O 3.4Å; F154-A369 HydrophobicContact CD1-CB 3.68Å; F154-A369 HydrophobicContact CD2-CB 3.67Å; F154-A369 HydrophobicContact CE1-CB 3.79Å; F154-A369 HydrophobicContact CE2-CB 3.8Å; F154-A369 HydrophobicContact CG-CB 3.62Å; F154-A369 HydrophobicContact CZ-CB 3.85Å; F336-A369 HydrophobicContact CD1-CB 4.28Å; P367-A369 PolarHBondContact O-N 3.45Å; A369-T374 WeakPolarHBondContact O-CB 3.43Å; A369-T374 PolarHBondContact O-N 3.45Å; A369-T374 VanDerWaalsContact O-N 3.1Å; A369-T374 PolarHBondContact O-OG1 3.02Å
370G94.4Very high97.7Very high22 Ų2222.4 Ų22.423%0.22713%0.132CC..Iπ-helixtrans-85.1-31.5-166.400000115.8E368 T374E368-G370 PolarHBondContact OE1-N 3.35Å; E368-G370 PolarHBondContact OE2-N 3.1Å; E368-G370 VanDerWaalsContact OE2-N 3.1Å; G370-T374 VanDerWaalsContact O-CB 3.31Å; G370-T374 WeakPolarHBondContact O-CB 3.47Å
371Y96.6Very high97.7Very high8 Ų820.8 Ų20.83%0.03112%0.123CC..Iπ-helixtrans-131.5-2.5-166-48.4-65.5000113.4F18 F22 I192 H193 P326 I331 E368 P375F18-Y371 AromaticContact CD1-CD1 3.82Å; F18-Y371 HydrophobicContact CD1-CD1 3.82Å; F18-Y371 AromaticContact CD1-CE1 3.35Å; F18-Y371 HydrophobicContact CD1-CE1 3.35Å; F18-Y371 AromaticContact CD1-CZ 3.99Å; F18-Y371 AromaticContact CE1-CD1 3.54Å; F18-Y371 HydrophobicContact CE1-CD1 3.54Å; F18-Y371 HydrophobicContact CE1-CD2 4.37Å; F18-Y371 AromaticContact CE1-CE1 3.26Å; F18-Y371 HydrophobicContact CE1-CE1 3.26Å; F18-Y371 HydrophobicContact CE1-CE2 4.14Å; F18-Y371 HydrophobicContact CE1-CG 4.1Å; F18-Y371 AromaticContact CE1-CZ 3.59Å; F22-Y371 WeakPolarHBondContact CD1-O 3.18Å; F22-Y371 AromaticContact CD2-CD1 3.97Å; F22-Y371 HydrophobicContact CD2-CD1 3.97Å; F22-Y371 HydrophobicContact CD2-CG 4.33Å; F22-Y371 AromaticContact CE2-CD1 3.93Å; F22-Y371 HydrophobicContact CE2-CD1 3.93Å; F22-Y371 HydrophobicContact CE2-CG 4.1Å; F22-Y371 HydrophobicContact CZ-CG 4.32Å; I192-Y371 WeakPolarHBondContact CG2-OH 3.41Å; H193-Y371 HydrophobicContact CB-CE1 4.44Å; H193-Y371 VanDerWaalsContact CB-OH 3.32Å; H193-Y371 WeakPolarHBondContact CB-OH 3.45Å; H193-Y371 PolarHBondContact N-OH 2.95Å; P326-Y371 HydrophobicContact CG-CD2 3.54Å; P326-Y371 HydrophobicContact CG-CE2 3.4Å; I331-Y371 HydrophobicContact CD1-CD2 4.46Å; I331-Y371 HydrophobicContact CG1-CD2 4.49Å; E368-Y371 WeakPolarHBondContact OE2-CA 3.43Å; E368-Y371 WeakPolarHBondContact OE2-CB 3.3Å; E368-Y371 WeakPolarHBondContact OE2-CD2 3.37Å; E368-Y371 PolarHBondContact OE2-N 3.37Å; Y371-P375 WeakPolarHBondContact O-CG 3.27Å
372V97.6Very high97.7Very high47 Ų4717.3 Ų17.329%0.28510%0.1SC..Iπ-helixtrans-117.8-62.4167-170.40000110I331 P367 E368 T374 P375 I376I331-V372 HydrophobicContact CG2-CG2 3.49Å; I331-V372 VanDerWaalsContact CG2-CG2 3.49Å; P367-V372 HydrophobicContact CB-CB 4.02Å; P367-V372 HydrophobicContact CB-CG1 3.73Å; P367-V372 HydrophobicContact CG-CB 3.86Å; P367-V372 HydrophobicContact CG-CG1 3.41Å; P367-V372 VanDerWaalsContact CG-CG1 3.41Å; E368-V372 HydrophobicContact CB-CG2 4.23Å; E368-V372 PolarHBondContact O-N 3Å; V372-T374 PolarHBondContact O-N 3.48Å; V372-P375 VanDerWaalsContact O-CD 3.32Å; V372-P375 WeakPolarHBondContact O-CD 3.36Å; V372-I376 HydrophobicContact CG1-CD1 3.81Å; V372-I376 WeakPolarHBondContact O-CD1 3.27Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.21Å; V372-I376 PolarHBondContact O-N 3.18Å; V372-I376 VanDerWaalsContact O-N 3.12Å
373A98.2Very high97.6Very high2 Ų216.7 Ų16.72%0.01710%0.096CC..Iπ-helixtrans-65.8-35.4-177.100000113.2F336 P367 E368 I376 A377 V419F336-A373 HydrophobicContact CE1-CB 3.72Å; P367-A373 HydrophobicContact CG-CB 4.36Å; E368-A373 WeakPolarHBondContact O-CB 3.32Å; E368-A373 PolarHBondContact O-N 3.34Å; A373-I376 PolarHBondContact O-N 3.39Å; A373-A377 VanDerWaalsContact O-CB 3.22Å; A373-A377 WeakPolarHBondContact O-CB 3.36Å; A373-A377 PolarHBondContact O-N 3.42Å; A373-V419 HydrophobicContact CB-CG2 4.27Å
374T98.1Very high97.5Very high11 Ų1113.5 Ų13.57%0.0678%0.081CC..Hα-helixtrans-64.7-52176.8-71.10000112.9T19 I123 F154 A369 G370 V372 I376 A377 M378T19-T374 HydrophobicContact CG2-CG2 4.37Å; I123-T374 HydrophobicContact CB-CG2 4.14Å; I123-T374 HydrophobicContact CD1-CG2 3.84Å; I123-T374 HydrophobicContact CG2-CG2 3.87Å; F154-T374 WeakPolarHBondContact CB-OG1 3.49Å; F154-T374 PolarHBondContact N-OG1 2.93Å; A369-T374 WeakPolarHBondContact O-CB 3.43Å; A369-T374 PolarHBondContact O-N 3.45Å; A369-T374 VanDerWaalsContact O-N 3.1Å; A369-T374 PolarHBondContact O-OG1 3.02Å; G370-T374 VanDerWaalsContact O-CB 3.31Å; G370-T374 WeakPolarHBondContact O-CB 3.47Å; V372-T374 PolarHBondContact O-N 3.48Å; T374-I376 PolarHBondContact O-N 3Å; T374-A377 PolarHBondContact O-N 2.88Å; T374-M378 WeakPolarHBondContact O-CB 3.33Å; T374-M378 PolarHBondContact O-N 2.97Å
375P98.4Very high97.5Very high2 Ų214.1 Ų14.11%0.0138%0.084CC..Hα-helixtrans-53.3-47.9170.6-29.434.2000113.6F22 V23 E26 Y371 V372 A377 M378 V379F22-P375 HydrophobicContact CB-CB 4.39Å; F22-P375 HydrophobicContact CB-CG 3.51Å; V23-P375 HydrophobicContact CG2-CB 4.25Å; V23-P375 HydrophobicContact CG2-CG 4.3Å; E26-P375 HydrophobicContact CB-CB 3.82Å; E26-P375 HydrophobicContact CG-CB 4.21Å; Y371-P375 WeakPolarHBondContact O-CG 3.27Å; V372-P375 VanDerWaalsContact O-CD 3.32Å; V372-P375 WeakPolarHBondContact O-CD 3.36Å; P375-A377 PolarHBondContact O-N 3.15Å; P375-M378 PolarHBondContact O-N 2.96Å; P375-V379 WeakPolarHBondContact O-CB 3.18Å; P375-V379 WeakPolarHBondContact O-CG2 3.29Å; P375-V379 PolarHBondContact O-N 2.84Å
376I98.3Very high97.3Very high10 Ų1011.4 Ų11.45%0.0517%0.074CC..Hα-helixtrans-55.7-52.9177.2-70160.4000109.5E26 P367 V372 A373 T374 M378 V379 Q380 L414 H417 V419E26-I376 HydrophobicContact CG-CG1 4.37Å; P367-I376 HydrophobicContact CG-CD1 4.35Å; V372-I376 HydrophobicContact CG1-CD1 3.81Å; V372-I376 WeakPolarHBondContact O-CD1 3.27Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.21Å; V372-I376 PolarHBondContact O-N 3.18Å; V372-I376 VanDerWaalsContact O-N 3.12Å; A373-I376 PolarHBondContact O-N 3.39Å; T374-I376 PolarHBondContact O-N 3Å; I376-M378 VanDerWaalsContact C-N 3.33Å; I376-M378 PolarHBondContact O-N 2.93Å; I376-V379 PolarHBondContact O-N 3.03Å; I376-Q380 HydrophobicContact CG2-CG 4.1Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.33Å; I376-Q380 WeakPolarHBondContact O-CG 3.12Å; I376-Q380 PolarHBondContact O-N 3.34Å; I376-L414 HydrophobicContact CG2-CD2 4.28Å; I376-H417 WeakPolarHBondContact CD1-O 3.28Å; I376-H417 HydrophobicContact CG2-CB 3.6Å; I376-V419 HydrophobicContact CG2-CG2 4.2Å
377A98.6Very high97.1Very high4 Ų414.5 Ų14.53%0.0339%0.088CC..Hα-helixtrans-60-42.3-177.300000112.6S152 I157 A373 T374 P375 A381 L414S152-A377 CarbonylContact O-C 3.59Å; I157-A377 HydrophobicContact CB-CB 4.25Å; I157-A377 HydrophobicContact CD1-CB 3.81Å; I157-A377 HydrophobicContact CG2-CB 4.18Å; A373-A377 VanDerWaalsContact O-CB 3.22Å; A373-A377 WeakPolarHBondContact O-CB 3.36Å; A373-A377 PolarHBondContact O-N 3.42Å; T374-A377 PolarHBondContact O-N 2.88Å; P375-A377 PolarHBondContact O-N 3.15Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.24Å; A377-A381 PolarHBondContact O-N 2.79Å; A377-L414 HydrophobicContact CB-CD2 4.21Å
378M98.6Very high96.9Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-67.7-46.2179.9-169-173-164.600112.2V23 L96 I121 I123 S152 T374 P375 I376 A381 A382V23-M378 HydrophobicContact CG1-SD 3.96Å; V23-M378 HydrophobicContact CG2-SD 3.93Å; L96-M378 HydrophobicContact CB-CE 3.56Å; L96-M378 HydrophobicContact CB-SD 4.2Å; L96-M378 HydrophobicContact CD2-CE 4.3Å; L96-M378 HydrophobicContact CG-CE 4.45Å; I121-M378 HydrophobicContact CG2-CE 4.29Å; I121-M378 HydrophobicContact CG2-CG 3.99Å; I121-M378 WeakPolarHBondContact O-CE 3.43Å; I123-M378 HydrophobicContact CG2-CB 3.87Å; I123-M378 HydrophobicContact CG2-CE 4.19Å; I123-M378 HydrophobicContact CG2-CG 3.81Å; I123-M378 HydrophobicContact CG2-SD 3.58Å; I123-M378 VanDerWaalsContact CG2-SD 3.58Å; S152-M378 WeakPolarHBondContact O-CA 3.4Å; S152-M378 WeakPolarHBondContact O-CB 3.29Å; S152-M378 PolarHBondContact O-N 3.33Å; S152-M378 VanDerWaalsContact O-N 3.11Å; T374-M378 WeakPolarHBondContact O-CB 3.33Å; T374-M378 PolarHBondContact O-N 2.97Å; P375-M378 PolarHBondContact O-N 2.96Å; I376-M378 VanDerWaalsContact C-N 3.33Å; I376-M378 PolarHBondContact O-N 2.93Å; M378-A381 PolarHBondContact O-N 3.35Å; M378-A382 PolarHBondContact O-N 2.83Å; M378-A382 VanDerWaalsContact O-N 3.09Å
379V98.3Very high96.5Very high0 Ų015.7 Ų15.70%010%0.102CC..Hα-helixtrans-66.8-47179.7174.20000109.6V23 E26 V27 E30 L96 P375 I376 A381 A382 M383V23-V379 HydrophobicContact CG1-CG2 4.3Å; E26-V379 HydrophobicContact CB-CG2 3.96Å; E26-V379 HydrophobicContact CG-CB 3.96Å; E26-V379 HydrophobicContact CG-CG1 4.37Å; E26-V379 HydrophobicContact CG-CG2 3.79Å; V27-V379 HydrophobicContact CG2-CG1 4.35Å; V27-V379 HydrophobicContact CG2-CG2 3.58Å; E30-V379 HydrophobicContact CB-CG1 4.04Å; E30-V379 HydrophobicContact CG-CG1 4.18Å; L96-V379 HydrophobicContact CD1-CG2 4.46Å; P375-V379 WeakPolarHBondContact O-CB 3.18Å; P375-V379 WeakPolarHBondContact O-CG2 3.29Å; P375-V379 PolarHBondContact O-N 2.84Å; I376-V379 PolarHBondContact O-N 3.03Å; V379-A381 VanDerWaalsContact C-N 3.3Å; V379-A381 PolarHBondContact O-N 3Å; V379-A382 WeakPolarHBondContact O-CA 3.32Å; V379-A382 WeakPolarHBondContact O-CB 3.36Å; V379-A382 PolarHBondContact O-N 3.24Å; V379-M383 HydrophobicContact CG1-CG 4.22Å; V379-M383 VanDerWaalsContact O-CG 3.27Å; V379-M383 WeakPolarHBondContact O-CG 3.5Å; V379-M383 PolarHBondContact O-N 3.24Å
380Q97.9Very high96.4Very high0 Ų020.1 Ų20.10%013%0.132CC..Hα-helixtrans-64.1-33.7178.9-63.2-47.6-42.700112.6E30 I376 M383 T384 L410 R413 L414 H417E30-Q380 PolarHBondContact OE2-NE2 3.49Å; I376-Q380 HydrophobicContact CG2-CG 4.1Å; I376-Q380 VanDerWaalsContact O-CB 3.31Å; I376-Q380 WeakPolarHBondContact O-CB 3.33Å; I376-Q380 WeakPolarHBondContact O-CG 3.12Å; I376-Q380 PolarHBondContact O-N 3.34Å; Q380-M383 PolarHBondContact O-N 2.58Å; Q380-T384 WeakPolarHBondContact O-CB 3.46Å; Q380-T384 PolarHBondContact O-N 2.87Å; Q380-T384 PolarHBondContact O-OG1 2.92Å; Q380-L410 HydrophobicContact CB-CD1 3.85Å; Q380-R413 HydrophobicContact CB-CB 4.37Å; Q380-L414 HydrophobicContact CB-CD2 4.24Å; Q380-H417 PolarHBondContact NE2-CE1 3.26Å; Q380-H417 PolarHBondContact NE2-NE2 3.38Å
381A98.4Very high96.6Very high0 Ų022.3 Ų22.30%014%0.139CC..Hα-helixtrans-61.9-43.2170.200000112I121 I157 A377 M378 V379 T384 L385 F405 L410I121-A381 HydrophobicContact CD1-CB 4.32Å; I157-A381 HydrophobicContact CD1-CB 4.22Å; A377-A381 VanDerWaalsContact O-CB 3.25Å; A377-A381 WeakPolarHBondContact O-CB 3.24Å; A377-A381 PolarHBondContact O-N 2.79Å; M378-A381 PolarHBondContact O-N 3.35Å; V379-A381 VanDerWaalsContact C-N 3.3Å; V379-A381 PolarHBondContact O-N 3Å; A381-T384 PolarHBondContact O-N 3.01Å; A381-L385 WeakPolarHBondContact O-CB 3.48Å; A381-L385 PolarHBondContact O-N 3.28Å; A381-F405 HydrophobicContact CB-CE2 3.72Å; A381-F405 HydrophobicContact CB-CZ 3.97Å; A381-F405 WeakPolarHBondContact O-CZ 3.37Å; A381-L410 HydrophobicContact CB-CD2 4.33Å
382A97.8Very high96.6Very high0 Ų022.7 Ų22.70%014%0.141CC..Hα-helixtrans-65-41.9176.600000112.6L10 L96 I121 M378 V379 T384 L385 L386L10-A382 HydrophobicContact CD2-CB 3.85Å; L96-A382 HydrophobicContact CD1-CB 4.45Å; L96-A382 HydrophobicContact CD2-CB 3.58Å; I121-A382 VanDerWaalsContact CD1-CA 3.48Å; I121-A382 HydrophobicContact CD1-CB 3.87Å; M378-A382 PolarHBondContact O-N 2.83Å; M378-A382 VanDerWaalsContact O-N 3.09Å; V379-A382 WeakPolarHBondContact O-CA 3.32Å; V379-A382 WeakPolarHBondContact O-CB 3.36Å; V379-A382 PolarHBondContact O-N 3.24Å; A382-T384 VanDerWaalsContact C-N 3.33Å; A382-L385 WeakPolarHBondContact O-CB 3.19Å; A382-L385 PolarHBondContact O-N 3.22Å; A382-L386 WeakPolarHBondContact O-CG 3.43Å; A382-L386 PolarHBondContact O-N 2.85Å
383M95.8Very high96.6Very high0 Ų020.9 Ų20.90%013%0.13CC..Hα-helixtrans-65.8-38.8176.4-61.7-51.9-71.300111.6L10 E30 L40 V379 Q380 L386 N387L10-M383 HydrophobicContact CD1-SD 4.03Å; E30-M383 HydrophobicContact CG-CE 3.81Å; E30-M383 HydrophobicContact CG-CG 3.85Å; E30-M383 HydrophobicContact CG-SD 3.93Å; E30-M383 WeakPolarHBondContact OE1-CE 3.24Å; L40-M383 HydrophobicContact CD1-CE 3.79Å; L40-M383 HydrophobicContact CD1-SD 4.03Å; V379-M383 HydrophobicContact CG1-CG 4.22Å; V379-M383 VanDerWaalsContact O-CG 3.27Å; V379-M383 WeakPolarHBondContact O-CG 3.5Å; V379-M383 PolarHBondContact O-N 3.24Å; Q380-M383 PolarHBondContact O-N 2.58Å; M383-L386 PolarHBondContact O-N 3.45Å; M383-N387 WeakPolarHBondContact O-CB 3.41Å; M383-N387 VanDerWaalsContact O-CG 3.28Å; M383-N387 PolarHBondContact O-N 3.25Å; M383-N387 PolarHBondContact O-ND2 3.27Å
384T96.7Very high96.4Very high0 Ų031.3 Ų31.30%018%0.175CC..Hα-helixtrans-62.3-46.2173.9-57.90000110.5Q380 A381 A382 L386 N387 D388 F405 T408 L410 R413Q380-T384 WeakPolarHBondContact O-CB 3.46Å; Q380-T384 PolarHBondContact O-N 2.87Å; Q380-T384 PolarHBondContact O-OG1 2.92Å; A381-T384 PolarHBondContact O-N 3.01Å; A382-T384 VanDerWaalsContact C-N 3.33Å; T384-L386 VanDerWaalsContact C-N 3.26Å; T384-L386 PolarHBondContact O-N 3.39Å; T384-N387 PolarHBondContact O-N 3.45Å; T384-D388 HydrophobicContact CG2-CB 4.13Å; T384-D388 WeakPolarHBondContact O-CB 3.2Å; T384-D388 PolarHBondContact O-N 3.28Å; T384-F405 HydrophobicContact CG2-CD1 3.6Å; T384-F405 HydrophobicContact CG2-CE1 3.86Å; T384-F405 HydrophobicContact CG2-CG 4.44Å; T384-T408 VanDerWaalsContact CG2-CB 3.46Å; T384-T408 HydrophobicContact CG2-CG2 3.97Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.45Å; T384-L410 HydrophobicContact CG2-CB 4.06Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.44Å; T384-R413 WeakPolarHBondContact OG1-CD 3.34Å
385L96.9Very high96.3Very high12 Ų1233.2 Ų33.26%0.06319%0.193CC..Hα-helixtrans-58.1-38.8177.2-172.3116.4000112.6V94 Y147 I149 A381 A382 L392 F405V94-L385 HydrophobicContact CG1-CD2 4.42Å; V94-L385 HydrophobicContact CG2-CD2 3.39Å; Y147-L385 HydrophobicContact CD2-CD1 4.14Å; Y147-L385 HydrophobicContact CG-CD1 3.9Å; I149-L385 HydrophobicContact CD1-CD1 3.47Å; I149-L385 VanDerWaalsContact CD1-CD1 3.47Å; I149-L385 HydrophobicContact CG1-CD1 4.48Å; A381-L385 WeakPolarHBondContact O-CB 3.48Å; A381-L385 PolarHBondContact O-N 3.28Å; A382-L385 WeakPolarHBondContact O-CB 3.19Å; A382-L385 PolarHBondContact O-N 3.22Å; L385-L392 HydrophobicContact CD1-CD1 4.2Å; L385-L392 HydrophobicContact CG-CD1 4.11Å; L385-F405 HydrophobicContact CB-CE1 4.28Å; L385-F405 HydrophobicContact CB-CZ 4.46Å
386L94.1Very high96.3Very high39 Ų3933.2 Ų33.220%0.20419%0.193CC..Hα-helixtrans-76.8-34.5-179.7-72174.2000113.7H9 L10 L40 T93 V94 A382 M383 T384H9-L386 HydrophobicContact CB-CD1 4.16Å; L10-L386 HydrophobicContact CD2-CD1 3.7Å; L10-L386 HydrophobicContact CG-CD1 4.06Å; L40-L386 HydrophobicContact CD1-CD1 3.84Å; T93-L386 HydrophobicContact CG2-CD2 3.79Å; V94-L386 HydrophobicContact CG2-CD2 3.82Å; V94-L386 HydrophobicContact CG2-CG 4.11Å; A382-L386 WeakPolarHBondContact O-CG 3.43Å; A382-L386 PolarHBondContact O-N 2.85Å; M383-L386 PolarHBondContact O-N 3.45Å; T384-L386 VanDerWaalsContact C-N 3.26Å; T384-L386 PolarHBondContact O-N 3.39Å
387N92.8Very high96.3Very high76 Ų7632.8 Ų32.841%0.40619%0.191SC..Hα-helixtrans-102.5-26.2-170.6-58.2-54.6000113.7R36 M383 T384R36-N387 PolarHBondContact NH2-OD1 3.12Å; R36-N387 VanDerWaalsContact NH2-OD1 3.11Å; M383-N387 WeakPolarHBondContact O-CB 3.41Å; M383-N387 VanDerWaalsContact O-CG 3.28Å; M383-N387 PolarHBondContact O-N 3.25Å; M383-N387 PolarHBondContact O-ND2 3.27Å; T384-N387 PolarHBondContact O-N 3.45Å
388D93.3Very high96.3Very high16 Ų1632.9 Ų32.99%0.08619%0.191CC..  trans-109.235.3-173.4-61.92000111.4T384 S390 D391 L392 T408 K409T384-D388 HydrophobicContact CG2-CB 4.13Å; T384-D388 WeakPolarHBondContact O-CB 3.2Å; T384-D388 PolarHBondContact O-N 3.28Å; D388-S390 PolarHBondContact O-N 2.77Å; D388-D391 PolarHBondContact O-N 3.31Å; D388-L392 PolarHBondContact O-N 2.99Å; D388-T408 HydrophobicContact CB-CG2 4.23Å; D388-K409 WeakPolarHBondContact OD2-CB 2.98Å; D388-K409 PolarHBondContact OD2-N 2.93Å
389A90.8Very high96.3Very high66 Ų6633.3 Ų33.355%0.54519%0.193SC..G310 helixtrans-57.5-27.2-17200000114.3D391A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.47Å
390S94.1Very high96.3Very high107 Ų10733.5 Ų33.575%0.74819%0.194SC*.G310 helixtrans-70.4-23.3176.452.60000114D388D388-S390 PolarHBondContact O-N 2.77Å
391D96.7Very high96.3Very high69 Ų6933.5 Ų33.537%0.36919%0.194SC..G310 helixtrans-102.6-0.9-174.5-61.3-39.5000112.5D388 A389 T408D388-D391 PolarHBondContact O-N 3.31Å; A389-D391 VanDerWaalsContact C-N 3.29Å; A389-D391 PolarHBondContact O-N 3.47Å; D391-T408 HydrophobicContact CB-CG2 3.87Å
392L97.4Very high96.3Very high15 Ų1533.5 Ų33.58%0.07919%0.194CC..SBendtrans-73.8165.5171.9-66.1-179.6000111.8Y147 L385 D388 K394 F405 T408Y147-L392 HydrophobicContact CE1-CB 4.19Å; Y147-L392 HydrophobicContact CE1-CD1 4.38Å; Y147-L392 HydrophobicContact CE2-CD1 4.14Å; L385-L392 HydrophobicContact CD1-CD1 4.2Å; L385-L392 HydrophobicContact CG-CD1 4.11Å; D388-L392 PolarHBondContact O-N 2.99Å; L392-K394 PolarHBondContact O-N 3.44Å; L392-F405 HydrophobicContact CD2-CD1 3.87Å; L392-F405 HydrophobicContact CD2-CE1 3.82Å; L392-T408 HydrophobicContact CD2-CG2 4.07Å
393P97.6Very high96.3Very high9 Ų933.7 Ų33.76%0.05820%0.195CC..  trans-47.5140.2166.8-29.836.8000112Y147 Y262 A395 F399 A404Y147-P393 HydrophobicContact CE1-CB 4.34Å; Y147-P393 PolarHBondContact OH-O 3.19Å; Y262-P393 VanDerWaalsContact OH-CB 3.29Å; Y262-P393 WeakPolarHBondContact OH-CB 3.22Å; Y262-P393 WeakPolarHBondContact OH-CG 3.39Å; P393-A395 PolarHBondContact O-N 3.29Å; P393-F399 HydrophobicContact CB-CE1 3.9Å; P393-F399 HydrophobicContact CB-CE2 4.16Å; P393-F399 HydrophobicContact CB-CZ 3.59Å; P393-F399 HydrophobicContact CG-CD1 4.13Å; P393-F399 HydrophobicContact CG-CD2 4.47Å; P393-F399 HydrophobicContact CG-CE1 3.8Å; P393-F399 HydrophobicContact CG-CE2 4.14Å; P393-F399 HydrophobicContact CG-CG 4.46Å; P393-F399 HydrophobicContact CG-CZ 3.81Å; P393-A404 WeakPolarHBondContact CD-O 3.17Å
394K93.9Very high96.4Very high221 Ų22133.7 Ų33.796%0.96120%0.196SC*.SBendtrans-57.8-26.2-174.4-69.4-177.1177.9177.40114.2L392L392-K394 PolarHBondContact O-N 3.44Å
395A95.8Very high96.5Very high52 Ų5233.9 Ų33.943%0.4320%0.196SC..SBendtrans-124.7158.7176.200000109.5A142 Y147 P393A142-A395 HydrophobicContact CB-CB 4.47Å; Y147-A395 WeakPolarHBondContact CE1-O 3.42Å; P393-A395 PolarHBondContact O-N 3.29Å
396G97.8Very high96.5Very high2 Ų234.3 Ų34.32%0.02120%0.2CC..  trans-58.5179.6166.600000111.8A142 V146A142-G396 WeakPolarHBondContact CA-O 3.44Å; A142-G396 WeakPolarHBondContact CB-O 3.26Å; V146-G396 CarbonylContact O-C 3.47Å; V146-G396 WeakPolarHBondContact O-CA 3.43Å
397G98.4Very high96.6Very high0 Ų038.1 Ų38.10%022%0.215CC..EExtended strand (participates in β ladder)trans152.5-174.7-177.600000112.6V146 I148 F399V146-G397 PolarHBondContact O-N 3.27Å; I148-G397 PolarHBondContact N-O 3.23Å; G397-F399 VanDerWaalsContact CA-CE2 3.45Å; G397-F399 WeakPolarHBondContact O-CD2 3.4Å
398V98.6Very high96.9Very high6 Ų635.4 Ų35.44%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-104118.2172.4-176.50000109.3M133 Q134 H138 A141 I148M133-V398 HydrophobicContact CB-CG1 4.49Å; Q134-V398 HydrophobicContact CB-CB 4.23Å; Q134-V398 HydrophobicContact CB-CG1 3.9Å; Q134-V398 HydrophobicContact CG-CB 4.37Å; Q134-V398 HydrophobicContact CG-CG1 4.48Å; H138-V398 HydrophobicContact CB-CB 4.41Å; H138-V398 HydrophobicContact CB-CG2 4.49Å; H138-V398 PolarHBondContact ND1-N 2.98Å; H138-V398 PolarHBondContact ND1-O 3.49Å; A141-V398 HydrophobicContact CB-CG2 4.48Å; I148-V398 HydrophobicContact CB-CB 4.38Å; I148-V398 HydrophobicContact CB-CG1 4.36Å; I148-V398 HydrophobicContact CB-CG2 3.95Å; I148-V398 HydrophobicContact CG1-CG2 4.23Å; I148-V398 HydrophobicContact CG2-CG1 4.35Å; I148-V398 HydrophobicContact CG2-CG2 4.41Å; I148-V398 CarbonylContact O-C 3.57Å; I148-V398 WeakPolarHBondContact O-CA 3.25Å
399F98.6Very high97Very high10 Ų1040.3 Ų40.34%0.04422%0.222CC..EExtended strand (participates in β ladder)trans-127.1156.6-170.9-59.8-77.2000112.4Y147 I148 G150 Y262 P393 G397 A403 A404Y147-F399 HydrophobicContact CD1-CD2 4.02Å; Y147-F399 AromaticContact CD1-CE2 3.74Å; Y147-F399 HydrophobicContact CD1-CE2 3.74Å; Y147-F399 HydrophobicContact CE1-CE2 4.15Å; I148-F399 PolarHBondContact O-N 3.45Å; G150-F399 PolarHBondContact N-O 3.44Å; Y262-F399 HydrophobicContact CD2-CD1 4.43Å; Y262-F399 HydrophobicContact CD2-CE1 4.22Å; Y262-F399 HydrophobicContact CE2-CD1 4.27Å; Y262-F399 AromaticContact CE2-CE1 3.73Å; Y262-F399 HydrophobicContact CE2-CE1 3.73Å; P393-F399 HydrophobicContact CB-CE1 3.9Å; P393-F399 HydrophobicContact CB-CE2 4.16Å; P393-F399 HydrophobicContact CB-CZ 3.59Å; P393-F399 HydrophobicContact CG-CD1 4.13Å; P393-F399 HydrophobicContact CG-CD2 4.47Å; P393-F399 HydrophobicContact CG-CE1 3.8Å; P393-F399 HydrophobicContact CG-CE2 4.14Å; P393-F399 HydrophobicContact CG-CG 4.46Å; P393-F399 HydrophobicContact CG-CZ 3.81Å; G397-F399 VanDerWaalsContact CA-CE2 3.45Å; G397-F399 WeakPolarHBondContact O-CD2 3.4Å; F399-A403 HydrophobicContact CB-CB 4.33Å; F399-A403 HydrophobicContact CD1-CB 4.2Å; F399-A404 HydrophobicContact CB-CB 3.92Å; F399-A404 HydrophobicContact CG-CB 4.44Å
400T98.6Very high97.3Very high3 Ų337.2 Ų37.22%0.01820%0.196CC..  trans-82.5162.7158.751.80000109.9V255 R258 T259 G402 A403 A404V255-T400 HydrophobicContact CB-CG2 4.35Å; V255-T400 HydrophobicContact CG1-CG2 3.69Å; R258-T400 HydrophobicContact CB-CG2 3.66Å; T259-T400 WeakPolarHBondContact OG1-CB 3.46Å; T259-T400 PolarHBondContact OG1-OG1 2.87Å; T400-G402 PolarHBondContact O-N 3.16Å; T400-A403 PolarHBondContact O-N 3.37Å; T400-A403 VanDerWaalsContact OG1-CB 3.22Å; T400-A403 WeakPolarHBondContact OG1-CB 3.18Å; T400-A403 PolarHBondContact OG1-N 3.29Å; T400-A404 PolarHBondContact O-N 3.43Å
401P98.3Very high97.5Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-58.3-45.2179.9-24.535.4000112.6I149 G150 I157 D160 A403 A404 F405I149-P401 HydrophobicContact CG2-CG 4.47Å; G150-P401 VanDerWaalsContact O-CD 3.31Å; G150-P401 WeakPolarHBondContact O-CD 3.35Å; G150-P401 WeakPolarHBondContact O-CG 3.47Å; I157-P401 HydrophobicContact CD1-CB 4.36Å; I157-P401 HydrophobicContact CG1-CB 3.62Å; I157-P401 HydrophobicContact CG1-CG 3.78Å; D160-P401 WeakPolarHBondContact OD2-CD 3.31Å; P401-A403 PolarHBondContact O-N 2.79Å; P401-A404 PolarHBondContact O-N 2.87Å; P401-F405 HydrophobicContact CB-CD2 4.29Å; P401-F405 VanDerWaalsContact O-CB 3.28Å; P401-F405 WeakPolarHBondContact O-CB 3.34Å; P401-F405 VanDerWaalsContact O-CD2 3.25Å; P401-F405 WeakPolarHBondContact O-CD2 3.02Å; P401-F405 PolarHBondContact O-N 3.48Å
402G98.1Very high97.4Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-67.5-32.6178.600000113.6D160 T400 S406D160-G402 WeakPolarHBondContact OD2-CA 3.42Å; D160-G402 PolarHBondContact OD2-N 3.17Å; T400-G402 PolarHBondContact O-N 3.16Å; G402-S406 WeakPolarHBondContact O-CB 3.47Å; G402-S406 PolarHBondContact O-N 2.9Å; G402-S406 VanDerWaalsContact O-N 3.11Å; G402-S406 PolarHBondContact O-OG 3.02Å; G402-S406 VanDerWaalsContact O-OG 3.05Å
403A98.3Very high97.3Very high4 Ų436 Ų363%0.03318%0.178CC..Hα-helixtrans-67.4-41.9173.400000111.7Y262 F399 T400 P401Y262-A403 HydrophobicContact CD1-CB 3.54Å; Y262-A403 HydrophobicContact CD2-CB 4.47Å; Y262-A403 HydrophobicContact CE1-CB 4.22Å; Y262-A403 WeakPolarHBondContact CE1-O 3.37Å; Y262-A403 HydrophobicContact CG-CB 3.68Å; F399-A403 HydrophobicContact CB-CB 4.33Å; F399-A403 HydrophobicContact CD1-CB 4.2Å; T400-A403 PolarHBondContact O-N 3.37Å; T400-A403 VanDerWaalsContact OG1-CB 3.22Å; T400-A403 WeakPolarHBondContact OG1-CB 3.18Å; T400-A403 PolarHBondContact OG1-N 3.29Å; P401-A403 PolarHBondContact O-N 2.79Å
404A98.4Very high97.3Very high1 Ų135.6 Ų35.61%0.00818%0.176CC..Hα-helixtrans-75.4-35.9-179.600000113.5I149 P393 F399 T400 P401I149-A404 HydrophobicContact CD1-CB 3.69Å; I149-A404 HydrophobicContact CG1-CB 4.23Å; I149-A404 HydrophobicContact CG2-CB 4.34Å; P393-A404 WeakPolarHBondContact CD-O 3.17Å; F399-A404 HydrophobicContact CB-CB 3.92Å; F399-A404 HydrophobicContact CG-CB 4.44Å; T400-A404 PolarHBondContact O-N 3.43Å; P401-A404 PolarHBondContact O-N 2.87Å
405F98.4Very high97.4Very high3 Ų327 Ų271%0.01314%0.14CC..Hα-helixtrans-120.16.8-164-56.8-56.6000114.8I149 A381 T384 L385 L392 P401 K407 T408 L410I149-F405 HydrophobicContact CD1-CE1 3.99Å; I149-F405 HydrophobicContact CD1-CE2 3.72Å; I149-F405 HydrophobicContact CD1-CZ 3.29Å; I149-F405 HydrophobicContact CG2-CE2 3.97Å; A381-F405 HydrophobicContact CB-CE2 3.72Å; A381-F405 HydrophobicContact CB-CZ 3.97Å; A381-F405 WeakPolarHBondContact O-CZ 3.37Å; T384-F405 HydrophobicContact CG2-CD1 3.6Å; T384-F405 HydrophobicContact CG2-CE1 3.86Å; T384-F405 HydrophobicContact CG2-CG 4.44Å; L385-F405 HydrophobicContact CB-CE1 4.28Å; L385-F405 HydrophobicContact CB-CZ 4.46Å; L392-F405 HydrophobicContact CD2-CD1 3.87Å; L392-F405 HydrophobicContact CD2-CE1 3.82Å; P401-F405 HydrophobicContact CB-CD2 4.29Å; P401-F405 VanDerWaalsContact O-CB 3.28Å; P401-F405 WeakPolarHBondContact O-CB 3.34Å; P401-F405 VanDerWaalsContact O-CD2 3.25Å; P401-F405 WeakPolarHBondContact O-CD2 3.02Å; P401-F405 PolarHBondContact O-N 3.48Å; F405-K407 PolarHBondContact O-N 2.83Å; F405-K407 VanDerWaalsContact O-N 3.09Å; F405-T408 WeakPolarHBondContact CA-OG1 3.46Å; F405-T408 HydrophobicContact CB-CG2 4.49Å; F405-T408 WeakPolarHBondContact CB-OG1 3.43Å; F405-T408 HydrophobicContact CD1-CG2 4.12Å; F405-T408 PolarHBondContact O-N 3.48Å; F405-T408 VanDerWaalsContact O-N 3.13Å; F405-T408 PolarHBondContact O-OG1 2.75Å; F405-L410 HydrophobicContact CB-CB 4.05Å; F405-L410 HydrophobicContact CB-CD2 3.69Å; F405-L410 HydrophobicContact CD1-CD2 4.42Å; F405-L410 HydrophobicContact CD2-CD2 3.3Å; F405-L410 HydrophobicContact CE2-CD2 3.93Å; F405-L410 HydrophobicContact CG-CB 4.43Å; F405-L410 HydrophobicContact CG-CD2 3.57Å
406S96.9Very high97.4Very high21 Ų2131.4 Ų31.415%0.14715%0.15CC..THydrogen-bonded Turntrans-58.2-24.3-179.943.90000114.7G402G402-S406 WeakPolarHBondContact O-CB 3.47Å; G402-S406 PolarHBondContact O-N 2.9Å; G402-S406 VanDerWaalsContact O-N 3.11Å; G402-S406 PolarHBondContact O-OG 3.02Å; G402-S406 VanDerWaalsContact O-OG 3.05Å
407K96.6Very high97.2Very high119 Ų11933.6 Ų33.652%0.51716%0.159SC..THydrogen-bonded Turntrans-108.43.9-179.7-66.4-174170.3175.30113.9L267 F405L267-K407 HydrophobicContact CD1-CD 4.44Å; F405-K407 PolarHBondContact O-N 2.83Å; F405-K407 VanDerWaalsContact O-N 3.09Å
408T97.4Very high96.9Very high20 Ų2034.7 Ų34.712%0.12317%0.171CC..SBendtrans-101.7-178.6-175.872.60000111.6T384 D388 D391 L392 F405 L410T384-T408 VanDerWaalsContact CG2-CB 3.46Å; T384-T408 HydrophobicContact CG2-CG2 3.97Å; T384-T408 WeakPolarHBondContact CG2-OG1 3.45Å; D388-T408 HydrophobicContact CB-CG2 4.23Å; D391-T408 HydrophobicContact CB-CG2 3.87Å; L392-T408 HydrophobicContact CD2-CG2 4.07Å; F405-T408 WeakPolarHBondContact CA-OG1 3.46Å; F405-T408 HydrophobicContact CB-CG2 4.49Å; F405-T408 WeakPolarHBondContact CB-OG1 3.43Å; F405-T408 HydrophobicContact CD1-CG2 4.12Å; F405-T408 PolarHBondContact O-N 3.48Å; F405-T408 VanDerWaalsContact O-N 3.13Å; F405-T408 PolarHBondContact O-OG1 2.75Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.85Å; T408-L410 PolarHBondContact OG1-N 2.97Å
409K96.2Very high96.7Very high119 Ų11934.6 Ų34.652%0.51717%0.17SC..SBendtrans-88.316.4178.7-60.1175.4-177.9169.10113.6D388 I411 D412 R413D388-K409 WeakPolarHBondContact OD2-CB 2.98Å; D388-K409 PolarHBondContact OD2-N 2.93Å; K409-I411 VanDerWaalsContact C-N 3.32Å; K409-I411 PolarHBondContact O-N 3.24Å; K409-D412 PolarHBondContact O-N 3.46Å; K409-D412 VanDerWaalsContact O-N 3.12Å; K409-R413 WeakPolarHBondContact O-CG 3.42Å; K409-R413 PolarHBondContact O-N 3.2Å
410L97.6Very high96.2Very high0 Ų039.1 Ų39.10%019%0.191CC..Hα-helixtrans-58.6-42.4-175.4-179.753.7000112.3L161 Q380 A381 T384 F405 T408 D412 R413 L414L161-L410 HydrophobicContact CD1-CB 4.29Å; L161-L410 HydrophobicContact CD1-CD2 3.57Å; L161-L410 HydrophobicContact CD1-CG 3.7Å; Q380-L410 HydrophobicContact CB-CD1 3.85Å; A381-L410 HydrophobicContact CB-CD2 4.33Å; T384-L410 HydrophobicContact CG2-CB 4.06Å; T384-L410 WeakPolarHBondContact OG1-CD1 3.44Å; F405-L410 HydrophobicContact CB-CB 4.05Å; F405-L410 HydrophobicContact CB-CD2 3.69Å; F405-L410 HydrophobicContact CD1-CD2 4.42Å; F405-L410 HydrophobicContact CD2-CD2 3.3Å; F405-L410 HydrophobicContact CE2-CD2 3.93Å; F405-L410 HydrophobicContact CG-CB 4.43Å; F405-L410 HydrophobicContact CG-CD2 3.57Å; T408-L410 VanDerWaalsContact C-N 3.28Å; T408-L410 PolarHBondContact O-N 2.85Å; T408-L410 PolarHBondContact OG1-N 2.97Å; L410-D412 VanDerWaalsContact C-N 3.35Å; L410-D412 PolarHBondContact O-N 2.83Å; L410-R413 PolarHBondContact O-N 2.81Å; L410-L414 HydrophobicContact CD1-CD1 4.22Å; L410-L414 HydrophobicContact CD1-CD2 4.44Å; L410-L414 HydrophobicContact CD1-CG 4.02Å; L410-L414 HydrophobicContact CG-CD1 4.04Å; L410-L414 HydrophobicContact CG-CG 4.33Å; L410-L414 VanDerWaalsContact O-CG 3.25Å; L410-L414 WeakPolarHBondContact O-CG 3.28Å; L410-L414 PolarHBondContact O-N 3.28Å
411I97.4Very high94.6Very high27 Ų2740.5 Ų40.514%0.13820%0.197CC..Hα-helixtrans-57.8-47.3176-71.4169.8000111L161 Y165 K409 R413 L414 N415 E421L161-I411 HydrophobicContact CB-CD1 4.36Å; L161-I411 HydrophobicContact CB-CG1 4.13Å; L161-I411 HydrophobicContact CD1-CG1 4.18Å; Y165-I411 HydrophobicContact CD2-CG2 4.3Å; K409-I411 VanDerWaalsContact C-N 3.32Å; K409-I411 PolarHBondContact O-N 3.24Å; I411-R413 VanDerWaalsContact C-N 3.31Å; I411-R413 PolarHBondContact O-N 3.3Å; I411-L414 PolarHBondContact O-N 3.47Å; I411-N415 VanDerWaalsContact O-CG 3.31Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 3.42Å; I411-E421 WeakPolarHBondContact CD1-OE2 3.32Å; I411-E421 WeakPolarHBondContact CG1-OE2 3.34Å; I411-E421 HydrophobicContact CG2-CG 4.33Å; I411-E421 WeakPolarHBondContact CG2-OE2 3.48Å
412D96.1Very high94.4Very high97 Ų9742.5 Ų42.552%0.51921%0.207SC..Hα-helixtrans-63.5-39.2179.1-63-30.7000111.8K409 L410 N415 K416K409-D412 PolarHBondContact O-N 3.46Å; K409-D412 VanDerWaalsContact O-N 3.12Å; L410-D412 VanDerWaalsContact C-N 3.35Å; L410-D412 PolarHBondContact O-N 2.83Å; D412-N415 PolarHBondContact O-N 3.14Å; D412-K416 WeakPolarHBondContact O-CG 3.36Å; D412-K416 PolarHBondContact O-N 3.24Å
413R95.2Very high94.3Very high41 Ų4144.7 Ų44.716%0.15522%0.218CC..Hα-helixtrans-65-43.4175.9-68.1-178.869.988.212.7111.7E30 Q380 T384 K409 L410 I411 N415 K416 H417E30-R413 IonicContact OE1-CZ 3.9Å; E30-R413 IonicContact OE1-NH2 2.71Å; E30-R413 PolarHBondContact OE1-NH2 2.87Å; E30-R413 IonicContact OE2-NH2 2.71Å; Q380-R413 HydrophobicContact CB-CB 4.37Å; T384-R413 WeakPolarHBondContact OG1-CD 3.34Å; K409-R413 WeakPolarHBondContact O-CG 3.42Å; K409-R413 PolarHBondContact O-N 3.2Å; L410-R413 PolarHBondContact O-N 2.81Å; I411-R413 VanDerWaalsContact C-N 3.31Å; I411-R413 PolarHBondContact O-N 3.3Å; R413-N415 VanDerWaalsContact C-N 3.35Å; R413-K416 PolarHBondContact O-N 2.98Å; R413-H417 PolarHBondContact O-N 3.47Å; R413-H417 PolarHBondContact O-ND1 3.05Å
414L96.9Very high94Very high1 Ų147 Ų471%0.00523%0.228CC..Hα-helixtrans-60.7-44.8175.3-70.8170.7000111.2I157 L161 I376 A377 Q380 L410 I411 K416 H417 G418 V419I157-L414 HydrophobicContact CG2-CD1 3.59Å; L161-L414 HydrophobicContact CD1-CD1 3.9Å; I376-L414 HydrophobicContact CG2-CD2 4.28Å; A377-L414 HydrophobicContact CB-CD2 4.21Å; Q380-L414 HydrophobicContact CB-CD2 4.24Å; L410-L414 HydrophobicContact CD1-CD1 4.22Å; L410-L414 HydrophobicContact CD1-CD2 4.44Å; L410-L414 HydrophobicContact CD1-CG 4.02Å; L410-L414 HydrophobicContact CG-CD1 4.04Å; L410-L414 HydrophobicContact CG-CG 4.33Å; L410-L414 VanDerWaalsContact O-CG 3.25Å; L410-L414 WeakPolarHBondContact O-CG 3.28Å; L410-L414 PolarHBondContact O-N 3.28Å; I411-L414 PolarHBondContact O-N 3.47Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 3.02Å; L414-H417 CarbonylContact O-C 3.59Å; L414-H417 PolarHBondContact O-N 3Å; L414-G418 PolarHBondContact O-N 3.5Å; L414-V419 CarbonylContact C-O 3.52Å; L414-V419 HydrophobicContact CB-CB 4.16Å; L414-V419 HydrophobicContact CB-CG1 4.49Å; L414-V419 PolarHBondContact O-N 2.99Å
415N96.3Very high93.8Very high42 Ų4249.7 Ų49.723%0.22524%0.241CC..Hα-helixtrans-58-43.7176.3-75-30.1000111.9I411 D412 R413 H417 G418 V419 H420 E421I411-N415 VanDerWaalsContact O-CG 3.31Å; I411-N415 PolarHBondContact O-N 3.41Å; I411-N415 PolarHBondContact O-ND2 3.42Å; D412-N415 PolarHBondContact O-N 3.14Å; R413-N415 VanDerWaalsContact C-N 3.35Å; N415-H417 PolarHBondContact O-N 3.41Å; N415-G418 PolarHBondContact O-N 2.97Å; N415-V419 VanDerWaalsContact CA-O 3.31Å; N415-V419 WeakPolarHBondContact CA-O 3.46Å; N415-V419 PolarHBondContact N-O 3.26Å; N415-V419 PolarHBondContact OD1-O 3.44Å; N415-H420 PolarHBondContact O-CE1 3.24Å; N415-H420 PolarHBondContact O-ND1 3.13Å; N415-H420 VanDerWaalsContact O-ND1 3.08Å; N415-H420 WeakPolarHBondContact OD1-CA 3.39Å; N415-E421 PolarHBondContact OD1-N 2.85Å
416K94.8Very high93.5Very high143 Ų14352.6 Ų52.662%0.62226%0.255SS*.Hα-helixtrans-63.2-26.3175.5-75.1-175.4173.1-164.90113.1E35 D412 R413 L414E35-K416 IonicContact OE2-NZ 2.76Å; E35-K416 PolarHBondContact OE2-NZ 3.2Å; D412-K416 WeakPolarHBondContact O-CG 3.36Å; D412-K416 PolarHBondContact O-N 3.24Å; R413-K416 PolarHBondContact O-N 2.98Å; L414-K416 VanDerWaalsContact C-N 3.33Å; L414-K416 PolarHBondContact O-N 3.02Å
417H94.6Very high93.3Very high49 Ų4954.7 Ų54.723%0.22726%0.263CS..THydrogen-bonded Turntrans-104.220.1-175.9-67.881.2000113.6E30 I376 Q380 R413 L414 N415E30-H417 IonicContact OE2-CE1 3.86Å; E30-H417 IonicContact OE2-NE2 2.74Å; E30-H417 PolarHBondContact OE2-NE2 2.92Å; I376-H417 WeakPolarHBondContact CD1-O 3.28Å; I376-H417 HydrophobicContact CG2-CB 3.6Å; Q380-H417 PolarHBondContact NE2-CE1 3.26Å; Q380-H417 PolarHBondContact NE2-NE2 3.38Å; R413-H417 PolarHBondContact O-N 3.47Å; R413-H417 PolarHBondContact O-ND1 3.05Å; L414-H417 CarbonylContact O-C 3.59Å; L414-H417 PolarHBondContact O-N 3Å; N415-H417 PolarHBondContact O-N 3.41Å
418G92Very high93Very high23 Ų2350.1 Ų50.124%0.23724%0.244CC..THydrogen-bonded Turntrans889.3171.200000115.4G366 P367 L414 N415G366-G418 WeakPolarHBondContact CA-O 3.19Å; P367-G418 VanDerWaalsContact CD-O 3.25Å; P367-G418 WeakPolarHBondContact CD-O 3.49Å; L414-G418 PolarHBondContact O-N 3.5Å; N415-G418 PolarHBondContact O-N 2.97Å
419V93.6Very high92.7Very high4 Ų452.5 Ų52.52%0.02425%0.254CS..  trans-107.591.4168.8-178.90000107.6F336 V364 K365 A373 I376 L414 N415F336-V419 HydrophobicContact CZ-CG1 4.28Å; V364-V419 HydrophobicContact CG1-CG1 3.84Å; K365-V419 CarbonylContact O-C 3.55Å; K365-V419 WeakPolarHBondContact O-CA 3.24Å; A373-V419 HydrophobicContact CB-CG2 4.27Å; I376-V419 HydrophobicContact CG2-CG2 4.2Å; L414-V419 CarbonylContact C-O 3.52Å; L414-V419 HydrophobicContact CB-CB 4.16Å; L414-V419 HydrophobicContact CB-CG1 4.49Å; L414-V419 PolarHBondContact O-N 2.99Å; N415-V419 VanDerWaalsContact CA-O 3.31Å; N415-V419 WeakPolarHBondContact CA-O 3.46Å; N415-V419 PolarHBondContact N-O 3.26Å; N415-V419 PolarHBondContact OD1-O 3.44Å
420H89.4Confident92.4Very high104 Ų10446.9 Ų46.948%0.48123%0.232SC..BIsolated β-bridgetrans-94.4129.3-168.3-55.2-60.7000112.4V364 K365 N415V364-H420 CarbonylContact C-O 3.59Å; V364-H420 VanDerWaalsContact CA-O 3.25Å; V364-H420 WeakPolarHBondContact CA-O 3.47Å; K365-H420 PolarHBondContact N-O 3.5Å; K365-H420 PolarHBondContact O-N 3.26Å; N415-H420 PolarHBondContact O-CE1 3.24Å; N415-H420 PolarHBondContact O-ND1 3.13Å; N415-H420 VanDerWaalsContact O-ND1 3.08Å; N415-H420 WeakPolarHBondContact OD1-CA 3.39Å
421E64.7Low91.9Very high32 Ų3251.2 Ų51.215%0.1525%0.253CS..  trans-1040179.3-50.2-160.6139.700116.7Y165 Q363 V364 I411 N415Y165-E421 VanDerWaalsContact CB-OE2 3.24Å; Y165-E421 WeakPolarHBondContact CB-OE2 3.29Å; Y165-E421 HydrophobicContact CD1-CB 4.06Å; Y165-E421 HydrophobicContact CD2-CB 4.05Å; Y165-E421 WeakPolarHBondContact CD2-OE2 3.41Å; Y165-E421 HydrophobicContact CE1-CB 4.03Å; Y165-E421 WeakPolarHBondContact CE1-OXT 3.35Å; Y165-E421 HydrophobicContact CE2-CB 4.03Å; Y165-E421 HydrophobicContact CG-CB 4.05Å; Y165-E421 PolarHBondContact OH-O 3.41Å; Y165-E421 PolarHBondContact OH-OXT 3.1Å; Q363-E421 CarbonylContact O-C 3.58Å; Q363-E421 WeakPolarHBondContact O-CA 3.41Å; V364-E421 HydrophobicContact CG1-CG 4.24Å; V364-E421 HydrophobicContact CG2-CB 4.12Å; V364-E421 HydrophobicContact CG2-CG 3.77Å; I411-E421 WeakPolarHBondContact CD1-OE2 3.32Å; I411-E421 WeakPolarHBondContact CG1-OE2 3.34Å; I411-E421 HydrophobicContact CG2-CG 4.33Å; I411-E421 WeakPolarHBondContact CG2-OE2 3.48Å; N415-E421 PolarHBondContact OD1-N 2.85Å

Retrieved 421 of 421 residues in 343 ms (Link to these results)

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