A0A060KPY0_PANTA Loading...

3-hydroxyacyl-CoA dehydrogenase type-2

AlphaFold DB , UniProt , Accession A0A060KPY0, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene HSD17B10, Length 261 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
1M47.6Very low80.2Confident245 Ų24584.5 Ų84.5100%1.20752%0.524SS*.  0134.90-71.9-175.8-170.300107.5
2A53.5Low81.7Confident61 Ų6177.9 Ų77.950%0.50448%0.483SS..  trans-59.615117200000110.1A4A2-A4 PolarHBondContact O-N 3.25Å
3A61.3Low83.1Confident86 Ų8672 Ų7271%0.71145%0.447SS*.  trans-59.2132.5172.400000109.5C5A3-C5 WeakPolarHBondContact CB-O 3.45Å; A3-C5 PolarHBondContact O-N 3.35Å
4A74.8Confident84.2Confident86 Ų8666.9 Ų66.971%0.71142%0.415SS*.SBendtrans-64.9-21.217900000112.8A2 P244A2-A4 PolarHBondContact O-N 3.25Å; A4-P244 VanDerWaalsContact O-CD 3.31Å; A4-P244 WeakPolarHBondContact O-CD 3.37Å; A4-P244 WeakPolarHBondContact O-CG 3.31Å
5C78.4Confident85.2Confident73 Ų7362.5 Ų62.549%0.49339%0.387SS..SBendtrans-114.2138.2173.3-61.20000109.9A3 E242A3-C5 WeakPolarHBondContact CB-O 3.45Å; A3-C5 PolarHBondContact O-N 3.35Å; C5-E242 VanDerWaalsContact CA-O 3.29Å; C5-E242 WeakPolarHBondContact CA-O 3.23Å; C5-E242 WeakPolarHBondContact CB-O 3.48Å
6R84Confident86Confident52 Ų5258.8 Ų58.820%0.19636%0.364CS..  trans-86.9157175.769.8175.7-178.3166.90.4111.1I241 E242R6-I241 PolarHBondContact NE-O 2.99Å; R6-E242 PolarHBondContact N-O 3.2Å; R6-E242 WeakPolarHBondContact O-CA 3.48Å; R6-E242 VanDerWaalsContact O-CB 3.3Å; R6-E242 WeakPolarHBondContact O-CB 3.24Å; R6-E242 WeakPolarHBondContact O-CG 3.2Å
7T92.3Very high86.8Confident90 Ų9055.8 Ų55.855%0.55235%0.348SS*.  trans-89.4153169.3178.90000110.6K9T7-K9 VanDerWaalsContact C-N 3.29Å; T7-K9 HydrophobicContact CG2-CB 4.17Å; T7-K9 PolarHBondContact OG1-N 2.76Å
8V96.9Very high87.4Confident1 Ų152.7 Ų52.71%0.00633%0.328CS..  trans-78.2-12.5171.8-57.80000113.8G10 L11 L30 Q33 A35 Q238 I241 E242V8-G10 PolarHBondContact O-N 3.24Å; V8-L11 WeakPolarHBondContact O-CB 3.38Å; V8-L11 WeakPolarHBondContact O-CG 3.4Å; V8-L11 PolarHBondContact O-N 3.23Å; V8-L11 VanDerWaalsContact O-N 3.08Å; V8-L30 HydrophobicContact CB-CD2 4.25Å; V8-L30 HydrophobicContact CG1-CD2 4.03Å; V8-L30 HydrophobicContact CG2-CD2 4.4Å; V8-Q33 HydrophobicContact CG2-CB 3.35Å; V8-Q33 HydrophobicContact CG2-CG 4.28Å; V8-A35 WeakPolarHBondContact O-CB 3.32Å; V8-Q238 HydrophobicContact CG1-CG 3.86Å; V8-I241 HydrophobicContact CG1-CB 4.22Å; V8-I241 HydrophobicContact CG1-CD1 4.47Å; V8-I241 HydrophobicContact CG1-CG2 3.76Å; V8-E242 HydrophobicContact CG1-CG 4.01Å
9K97.9Very high87.9Confident155 Ų15550.2 Ų50.267%0.67431%0.313SS*.THydrogen-bonded Turntrans-59.3126.4-178.7-176.8178.5178.7-179.80110.7T7 L11T7-K9 VanDerWaalsContact C-N 3.29Å; T7-K9 HydrophobicContact CG2-CB 4.17Å; T7-K9 PolarHBondContact OG1-N 2.76Å; K9-L11 VanDerWaalsContact C-N 3.28Å; K9-L11 PolarHBondContact O-N 2.95Å
10G97.1Very high88.4Confident57 Ų5750.6 Ų50.659%0.58832%0.318SS*.THydrogen-bonded Turntrans81.2-3.2-179.900000115.2V8 G34V8-G10 PolarHBondContact O-N 3.24Å; G10-G34 PolarHBondContact N-O 2.85Å
11L98.3Very high88.8Confident24 Ų2448.9 Ų48.913%0.12631%0.31CS..  trans-74.6149.3173.4-60.1-172.5000110.9V8 K9 A35 T36 D86 V87 I241V8-L11 WeakPolarHBondContact O-CB 3.38Å; V8-L11 WeakPolarHBondContact O-CG 3.4Å; V8-L11 PolarHBondContact O-N 3.23Å; V8-L11 VanDerWaalsContact O-N 3.08Å; K9-L11 VanDerWaalsContact C-N 3.28Å; K9-L11 PolarHBondContact O-N 2.95Å; L11-A35 CarbonylContact O-C 3.52Å; L11-A35 WeakPolarHBondContact O-CA 3.49Å; L11-A35 WeakPolarHBondContact O-CB 3.36Å; L11-T36 PolarHBondContact O-N 3.5Å; L11-D86 WeakPolarHBondContact CA-OD2 3.31Å; L11-D86 HydrophobicContact CB-CB 4.11Å; L11-D86 HydrophobicContact CD2-CB 4.02Å; L11-D86 HydrophobicContact CG-CB 4.49Å; L11-V87 HydrophobicContact CD1-CG2 4.18Å; L11-I241 HydrophobicContact CD1-CG2 3.68Å
12V98.8Very high91.2Very high5 Ų538.3 Ų38.33%0.0326%0.259CS..EExtended strand (participates in β ladder)trans-104119.6174.4-171.10000110.2F82 R84 D86 V87V12-F82 HydrophobicContact CB-CB 4.34Å; V12-F82 HydrophobicContact CG1-CB 3.77Å; V12-F82 HydrophobicContact CG1-CD2 3.74Å; V12-F82 HydrophobicContact CG1-CG 4.12Å; V12-F82 HydrophobicContact CG2-CB 3.58Å; V12-F82 HydrophobicContact CG2-CG 4.47Å; V12-R84 VanDerWaalsContact CB-O 3.3Å; V12-R84 WeakPolarHBondContact CB-O 3.35Å; V12-R84 VanDerWaalsContact CG1-O 3.24Å; V12-R84 WeakPolarHBondContact CG1-O 3.44Å; V12-R84 HydrophobicContact CG2-CG 3.81Å; V12-D86 PolarHBondContact N-OD2 3.05Å; V12-D86 PolarHBondContact O-N 3.13Å; V12-V87 PolarHBondContact O-N 2.9Å; V12-V87 VanDerWaalsContact O-N 3.07Å
13A98.9Very high93.4Very high1 Ų135.5 Ų35.51%0.00824%0.235CC..EExtended strand (participates in β ladder)trans-109.9121.7-17900000112.5I15 L30 T36 A37 V38 V87A13-I15 HydrophobicContact CB-CD1 4.27Å; A13-I15 HydrophobicContact CB-CG1 4.21Å; A13-L30 HydrophobicContact CB-CD1 3.82Å; A13-T36 PolarHBondContact N-O 3.38Å; A13-A37 CarbonylContact O-C 3.54Å; A13-A37 WeakPolarHBondContact O-CA 3.44Å; A13-V38 PolarHBondContact O-N 3.48Å; A13-V87 CarbonylContact C-O 3.48Å; A13-V87 WeakPolarHBondContact CA-O 3.35Å; A13-V87 HydrophobicContact CB-CB 3.96Å; A13-V87 HydrophobicContact CB-CG1 4.33Å
14L98.9Very high95.2Very high1 Ų132.4 Ų32.41%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-87.7121.8164.6-177.572.3000109.1V38 L40 L75 V85 V87 A88 V89 V128L14-V38 HydrophobicContact CD1-CB 3.8Å; L14-V38 HydrophobicContact CD1-CG1 3.63Å; L14-L40 HydrophobicContact CD1-CB 4.07Å; L14-L40 HydrophobicContact CD1-CD1 4.21Å; L14-L40 HydrophobicContact CD2-CD1 4.36Å; L14-L75 HydrophobicContact CD2-CD2 3.75Å; L14-L75 HydrophobicContact CD2-CG 4.49Å; L14-V85 HydrophobicContact CB-CG1 4.25Å; L14-V87 PolarHBondContact N-O 2.79Å; L14-A88 CarbonylContact O-C 3.58Å; L14-A88 WeakPolarHBondContact O-CA 3.33Å; L14-V89 PolarHBondContact O-N 2.95Å; L14-V128 HydrophobicContact CD2-CG1 4.23Å
15I98.9Very high96.3Very high0 Ų028.7 Ų28.70%018%0.176CC..EExtended strand (participates in β ladder)trans-125110.7-174.9-56.7167000109.2A13 G23 T26 A27 L30 A37 V38 L40 V89A13-I15 HydrophobicContact CB-CD1 4.27Å; A13-I15 HydrophobicContact CB-CG1 4.21Å; I15-G23 WeakPolarHBondContact CG2-O 3.42Å; I15-T26 HydrophobicContact CD1-CG2 3.96Å; I15-T26 HydrophobicContact CG1-CG2 4.49Å; I15-A27 HydrophobicContact CD1-CB 3.69Å; I15-L30 HydrophobicContact CD1-CD1 4.34Å; I15-A37 HydrophobicContact CD1-CB 4.26Å; I15-V38 PolarHBondContact N-O 2.96Å; I15-L40 PolarHBondContact O-N 2.94Å; I15-V89 WeakPolarHBondContact CA-O 3.48Å; I15-V89 HydrophobicContact CG1-CB 4.24Å; I15-V89 HydrophobicContact CG1-CG2 4.28Å; I15-V89 HydrophobicContact CG2-CB 4.34Å
16T98.9Very high97.3Very high3 Ų325.3 Ų25.32%0.01815%0.153CC..EExtended strand (participates in β ladder)trans-81.9146.7177.178.70000110.9G18 L40 V65 V89 N90 C91 A92 V128T16-G18 PolarHBondContact O-N 3.18Å; T16-L40 CarbonylContact C-O 3.55Å; T16-L40 WeakPolarHBondContact CA-O 3.37Å; T16-L40 HydrophobicContact CG2-CB 4.3Å; T16-L40 HydrophobicContact CG2-CD1 4.28Å; T16-L40 HydrophobicContact CG2-CD2 4.31Å; T16-V65 HydrophobicContact CG2-CG1 4.07Å; T16-V89 PolarHBondContact N-O 3.25Å; T16-N90 WeakPolarHBondContact OG1-CA 3.29Å; T16-C91 CarbonylContact O-C 3.54Å; T16-C91 WeakPolarHBondContact O-CA 3.27Å; T16-C91 WeakPolarHBondContact O-CB 3.24Å; T16-C91 PolarHBondContact O-N 3.39Å; T16-C91 PolarHBondContact OG1-N 2.78Å; T16-C91 VanDerWaalsContact OG1-N 3.14Å; T16-A92 PolarHBondContact O-N 3.11Å; T16-A92 WeakPolarHBondContact OG1-CB 3.39Å; T16-A92 PolarHBondContact OG1-N 2.91Å; T16-A92 VanDerWaalsContact OG1-N 3.11Å; T16-V128 HydrophobicContact CG2-CG1 4.02Å; T16-V128 HydrophobicContact CG2-CG2 3.94Å
17G98.4Very high98Very high8 Ų822.8 Ų22.88%0.08214%0.144CC..THydrogen-bonded Turntrans65.924.7-168.400000111.5A19 S20 L40 D41G17-A19 PolarHBondContact O-N 3.48Å; G17-S20 PolarHBondContact O-N 3.08Å; G17-S20 VanDerWaalsContact O-O 3.13Å; G17-L40 PolarHBondContact N-O 2.84Å; G17-D41 WeakPolarHBondContact CA-OD2 3.29Å
18G98.1Very high98.3Very high0 Ų023.1 Ų23.10%014%0.139CC..THydrogen-bonded Turntrans-71-10.4-171.400000114.4T16 S20 L24 L40 D41T16-G18 PolarHBondContact O-N 3.18Å; G18-S20 VanDerWaalsContact C-N 3.35Å; G18-L24 WeakPolarHBondContact O-CA 3.33Å; G18-L24 WeakPolarHBondContact O-CB 3.19Å; G18-L40 PolarHBondContact N-O 3.31Å; G18-D41 PolarHBondContact N-OD2 3.33Å
19A97.9Very high98.4Very high5 Ų526.5 Ų26.54%0.04115%0.152CC..THydrogen-bonded Turntrans-82.8-11.1179.800000113.4G17 D41 S45G17-A19 PolarHBondContact O-N 3.48Å; A19-D41 HydrophobicContact CB-CB 3.8Å; A19-D41 WeakPolarHBondContact CB-OD2 3.21Å; A19-D41 PolarHBondContact N-OD2 3.27Å; A19-S45 WeakPolarHBondContact CB-OG 3.31Å
20S97.3Very high98.4Very high59 Ų5919.2 Ų19.241%0.41312%0.12SC..SBendtrans-152.2166.9-17675.60000114.6G17 G18 L22 G23 L24G17-S20 PolarHBondContact O-N 3.08Å; G17-S20 VanDerWaalsContact O-O 3.13Å; G18-S20 VanDerWaalsContact C-N 3.35Å; S20-L22 PolarHBondContact O-N 3.41Å; S20-G23 PolarHBondContact O-N 3.26Å; S20-L24 PolarHBondContact O-N 3.2Å; S20-L24 VanDerWaalsContact O-N 3.07Å
21G96.9Very high98.5Very high14 Ų1417.6 Ų17.614%0.14410%0.098CC..Hα-helixtrans51.9-127.9166.700000114.4A25G21-A25 PolarHBondContact O-N 3.42Å; G21-A25 VanDerWaalsContact O-N 3.13Å
22L98.6Very high98.5Very high24 Ų2419.4 Ų19.413%0.12612%0.123CC..Hα-helixtrans-66.4-36.8-176-55.8-177.6000112.7S20 T26 T153 P198 F201 T203 P230 Y233S20-L22 PolarHBondContact O-N 3.41Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.15Å; L22-T26 PolarHBondContact O-OG1 3.11Å; L22-T153 HydrophobicContact CD1-CG2 4.19Å; L22-P198 HydrophobicContact CD1-CB 4.45Å; L22-P198 HydrophobicContact CD1-CG 3.99Å; L22-F201 HydrophobicContact CD2-CB 4.05Å; L22-F201 HydrophobicContact CD2-CD1 3.75Å; L22-F201 HydrophobicContact CD2-CE1 4.47Å; L22-F201 HydrophobicContact CD2-CG 3.96Å; L22-T203 HydrophobicContact CD2-CG2 3.91Å; L22-T203 HydrophobicContact CG-CG2 3.95Å; L22-P230 HydrophobicContact CD2-CB 4.1Å; L22-P230 HydrophobicContact CD2-CG 4.37Å; L22-Y233 HydrophobicContact CB-CD1 3.85Å; L22-Y233 HydrophobicContact CB-CE1 4.08Å; L22-Y233 HydrophobicContact CB-CG 4.18Å; L22-Y233 HydrophobicContact CD1-CD2 3.94Å; L22-Y233 HydrophobicContact CD1-CE2 4.12Å; L22-Y233 HydrophobicContact CD1-CG 4.2Å; L22-Y233 HydrophobicContact CD2-CD1 4.44Å; L22-Y233 HydrophobicContact CD2-CD2 4.45Å; L22-Y233 HydrophobicContact CD2-CG 4Å; L22-Y233 HydrophobicContact CG-CG 4.35Å
23G98.7Very high98.5Very high1 Ų123.9 Ų23.91%0.0114%0.143CC..Hα-helixtrans-66.8-48178.500000111.6I15 S20 A25 T26 A27I15-G23 WeakPolarHBondContact CG2-O 3.42Å; S20-G23 PolarHBondContact O-N 3.26Å; G23-A25 PolarHBondContact O-N 3.05Å; G23-T26 WeakPolarHBondContact O-CB 3.49Å; G23-T26 PolarHBondContact O-N 3.01Å; G23-A27 PolarHBondContact O-N 3.33Å
24L98.7Very high98.5Very high21 Ų2125.5 Ų25.511%0.1116%0.16CC..Hα-helixtrans-61.1-47177.4179.459.3000112.2G18 S20 T26 A27 E28 Q50G18-L24 WeakPolarHBondContact O-CA 3.33Å; G18-L24 WeakPolarHBondContact O-CB 3.19Å; S20-L24 PolarHBondContact O-N 3.2Å; S20-L24 VanDerWaalsContact O-N 3.07Å; L24-T26 PolarHBondContact O-N 3.47Å; L24-A27 WeakPolarHBondContact O-CB 3.3Å; L24-A27 PolarHBondContact O-N 3.04Å; L24-E28 HydrophobicContact CD1-CG 4.31Å; L24-E28 HydrophobicContact CG-CG 4.43Å; L24-E28 WeakPolarHBondContact O-CG 3.28Å; L24-E28 PolarHBondContact O-N 3.42Å; L24-Q50 HydrophobicContact CD1-CB 3.73Å; L24-Q50 HydrophobicContact CD1-CG 3.92Å; L24-Q50 HydrophobicContact CD2-CG 3.96Å
25A98.8Very high98.5Very high9 Ų925.5 Ų25.57%0.07416%0.161CC..Hα-helixtrans-61.3-33.8177.700000112.3G21 G23 R29 P230 A234G21-A25 PolarHBondContact O-N 3.42Å; G21-A25 VanDerWaalsContact O-N 3.13Å; G23-A25 PolarHBondContact O-N 3.05Å; A25-R29 WeakPolarHBondContact O-CB 3.41Å; A25-R29 PolarHBondContact O-N 3.13Å; A25-P230 HydrophobicContact CB-CB 3.42Å; A25-P230 VanDerWaalsContact CB-CB 3.42Å; A25-A234 HydrophobicContact CB-CB 4.39Å; A25-A234 VanDerWaalsContact O-CB 3.29Å; A25-A234 WeakPolarHBondContact O-CB 3.49Å
26T98.9Very high98.5Very high1 Ų126.7 Ų26.71%0.00617%0.168CC..Hα-helixtrans-64-45.9172.7-59.80000111I15 L22 G23 L24 R29 L30 V89 V237I15-T26 HydrophobicContact CD1-CG2 3.96Å; I15-T26 HydrophobicContact CG1-CG2 4.49Å; L22-T26 WeakPolarHBondContact O-CB 3.49Å; L22-T26 PolarHBondContact O-N 3.15Å; L22-T26 PolarHBondContact O-OG1 3.11Å; G23-T26 WeakPolarHBondContact O-CB 3.49Å; G23-T26 PolarHBondContact O-N 3.01Å; L24-T26 PolarHBondContact O-N 3.47Å; T26-R29 PolarHBondContact O-N 2.66Å; T26-L30 HydrophobicContact CG2-CD1 3.93Å; T26-L30 HydrophobicContact CG2-CG 4.34Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 VanDerWaalsContact O-CG 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.34Å; T26-L30 PolarHBondContact O-N 2.95Å; T26-V89 HydrophobicContact CG2-CG1 4.36Å; T26-V89 HydrophobicContact CG2-CG2 4.16Å; T26-V237 HydrophobicContact CG2-CB 4.2Å; T26-V237 HydrophobicContact CG2-CG1 3.67Å; T26-V237 HydrophobicContact CG2-CG2 4.33Å
27A98.9Very high98.5Very high0 Ų026.6 Ų26.60%017%0.167CC..Hα-helixtrans-63.4-47.1177.900000112.3I15 G23 L24 R29 L30 V31 A37 L39 L54I15-A27 HydrophobicContact CD1-CB 3.69Å; G23-A27 PolarHBondContact O-N 3.33Å; L24-A27 WeakPolarHBondContact O-CB 3.3Å; L24-A27 PolarHBondContact O-N 3.04Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.21Å; A27-L30 PolarHBondContact O-N 3.46Å; A27-V31 VanDerWaalsContact O-CB 3.32Å; A27-V31 WeakPolarHBondContact O-CB 3.29Å; A27-V31 VanDerWaalsContact O-CG2 3.31Å; A27-V31 WeakPolarHBondContact O-CG2 3.39Å; A27-V31 PolarHBondContact O-N 3.24Å; A27-A37 HydrophobicContact CB-CB 4.17Å; A27-L39 HydrophobicContact CB-CD2 3.37Å; A27-L54 HydrophobicContact CB-CD1 3.92Å
28E98.8Very high98.5Very high97 Ų9726.2 Ų26.245%0.45316%0.163SC..Hα-helixtrans-53.8-48.2176.1-75.7171.7164.100111.4L24 G32 L54L24-E28 HydrophobicContact CD1-CG 4.31Å; L24-E28 HydrophobicContact CG-CG 4.43Å; L24-E28 WeakPolarHBondContact O-CG 3.28Å; L24-E28 PolarHBondContact O-N 3.42Å; E28-G32 PolarHBondContact O-N 3.24Å; E28-L54 HydrophobicContact CB-CD2 4.37Å; E28-L54 HydrophobicContact CG-CD2 3.84Å
29R98.8Very high98.5Very high72 Ų7226.2 Ų26.227%0.27216%0.163SC..Hα-helixtrans-64.5-52.3179.4-174.3-179176.482.79.8112A25 T26 A27 V31 G32 Q33 A234 H235A25-R29 WeakPolarHBondContact O-CB 3.41Å; A25-R29 PolarHBondContact O-N 3.13Å; T26-R29 PolarHBondContact O-N 2.66Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.21Å; R29-V31 PolarHBondContact O-N 3.26Å; R29-G32 PolarHBondContact O-N 2.97Å; R29-Q33 VanDerWaalsContact O-CG 3.31Å; R29-Q33 WeakPolarHBondContact O-CG 3.31Å; R29-Q33 PolarHBondContact O-N 3.47Å; R29-A234 HydrophobicContact CB-CB 3.85Å; R29-A234 VanDerWaalsContact CD-O 3.28Å; R29-A234 WeakPolarHBondContact CD-O 3.37Å; R29-A234 HydrophobicContact CG-CB 4.42Å; R29-H235 PolarHBondContact NH2-CD2 2.87Å
30L98.8Very high98.6Very high2 Ų226 Ų261%0.0116%0.161CC..Hα-helixtrans-64-43-175.4-67.5-178.7000111.4V8 A13 I15 T26 A27 G32 Q33 G34 A35 Q238 I241V8-L30 HydrophobicContact CB-CD2 4.25Å; V8-L30 HydrophobicContact CG1-CD2 4.03Å; V8-L30 HydrophobicContact CG2-CD2 4.4Å; A13-L30 HydrophobicContact CB-CD1 3.82Å; I15-L30 HydrophobicContact CD1-CD1 4.34Å; T26-L30 HydrophobicContact CG2-CD1 3.93Å; T26-L30 HydrophobicContact CG2-CG 4.34Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 VanDerWaalsContact O-CG 3.31Å; T26-L30 WeakPolarHBondContact O-CG 3.34Å; T26-L30 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 3.46Å; L30-G32 PolarHBondContact O-N 2.97Å; L30-Q33 CarbonylContact O-C 3.54Å; L30-Q33 PolarHBondContact O-N 3.2Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; L30-G34 PolarHBondContact O-N 2.85Å; L30-A35 HydrophobicContact CB-CB 3.94Å; L30-A35 VanDerWaalsContact O-CB 3.23Å; L30-A35 WeakPolarHBondContact O-CB 3.44Å; L30-A35 PolarHBondContact O-N 3Å; L30-Q238 HydrophobicContact CD2-CB 4.4Å; L30-I241 HydrophobicContact CD1-CD1 4.08Å; L30-I241 HydrophobicContact CD2-CD1 3.85Å
31V98.8Very high98.6Very high22 Ų2224.4 Ų24.413%0.13315%0.148CC..Hα-helixtrans-61.9-43.6174.4170.10000111A27 R29 Q33 G34 A37 C58A27-V31 VanDerWaalsContact O-CB 3.32Å; A27-V31 WeakPolarHBondContact O-CB 3.29Å; A27-V31 VanDerWaalsContact O-CG2 3.31Å; A27-V31 WeakPolarHBondContact O-CG2 3.39Å; A27-V31 PolarHBondContact O-N 3.24Å; R29-V31 PolarHBondContact O-N 3.26Å; V31-Q33 PolarHBondContact O-N 3.49Å; V31-G34 PolarHBondContact O-N 3.1Å; V31-A37 HydrophobicContact CG2-CB 3.74Å; V31-C58 HydrophobicContact CG2-CB 4.45Å
32G98.5Very high98.7Very high62 Ų6227.2 Ų27.264%0.63916%0.16SC*.Hα-helixtrans-61.1-22.6175.200000114.2E28 R29 L30E28-G32 PolarHBondContact O-N 3.24Å; R29-G32 PolarHBondContact O-N 2.97Å; L30-G32 PolarHBondContact O-N 2.97Å
33Q98.5Very high98.7Very high99 Ų9930.4 Ų30.446%0.46318%0.182SC..THydrogen-bonded Turntrans-95.86.9174.7-62.4-63.2-54.400113.3V8 R29 L30 V31V8-Q33 HydrophobicContact CG2-CB 3.35Å; V8-Q33 HydrophobicContact CG2-CG 4.28Å; R29-Q33 VanDerWaalsContact O-CG 3.31Å; R29-Q33 WeakPolarHBondContact O-CG 3.31Å; R29-Q33 PolarHBondContact O-N 3.47Å; L30-Q33 CarbonylContact O-C 3.54Å; L30-Q33 PolarHBondContact O-N 3.2Å; L30-Q33 VanDerWaalsContact O-N 3.11Å; V31-Q33 PolarHBondContact O-N 3.49Å
34G98.3Very high98.6Very high35 Ų3537.1 Ų37.136%0.36122%0.217SC..THydrogen-bonded Turntrans88.813.9174.400000115.3G10 L30 V31G10-G34 PolarHBondContact N-O 2.85Å; L30-G34 PolarHBondContact O-N 2.85Å; V31-G34 PolarHBondContact O-N 3.1Å
35A98.7Very high98.5Very high2 Ų237.7 Ų37.72%0.01722%0.223CC..  trans-76.8171.8164.800000110.8V8 L11 L30V8-A35 WeakPolarHBondContact O-CB 3.32Å; L11-A35 CarbonylContact O-C 3.52Å; L11-A35 WeakPolarHBondContact O-CA 3.49Å; L11-A35 WeakPolarHBondContact O-CB 3.36Å; L30-A35 HydrophobicContact CB-CB 3.94Å; L30-A35 VanDerWaalsContact O-CB 3.23Å; L30-A35 WeakPolarHBondContact O-CB 3.44Å; L30-A35 PolarHBondContact O-N 3Å
36T98.8Very high98.5Very high25 Ų2542.3 Ų42.315%0.15325%0.246CC..EExtended strand (participates in β ladder)trans-110.7151.9162.960.40000110.5L11 A13 S57 F82L11-T36 PolarHBondContact O-N 3.5Å; A13-T36 PolarHBondContact N-O 3.38Å; T36-S57 CarbonylContact C-O 3.53Å; T36-S57 WeakPolarHBondContact CA-O 3.47Å; T36-S57 WeakPolarHBondContact CB-O 3.45Å; T36-F82 HydrophobicContact CG2-CD1 3.91Å; T36-F82 HydrophobicContact CG2-CE1 3.83Å; T36-F82 HydrophobicContact CG2-CG 4.49Å; T36-F82 HydrophobicContact CG2-CZ 4.33Å
37A98.8Very high98.4Very high0 Ų042.2 Ų42.20%025%0.246CC..EExtended strand (participates in β ladder)trans-128.9136.3-176.400000112A13 I15 A27 V31 L39 S57 C58 V59A13-A37 CarbonylContact O-C 3.54Å; A13-A37 WeakPolarHBondContact O-CA 3.44Å; I15-A37 HydrophobicContact CD1-CB 4.26Å; A27-A37 HydrophobicContact CB-CB 4.17Å; V31-A37 HydrophobicContact CG2-CB 3.74Å; A37-L39 HydrophobicContact CB-CD2 4.49Å; A37-S57 PolarHBondContact N-O 2.83Å; A37-C58 VanDerWaalsContact O-CA 3.22Å; A37-C58 WeakPolarHBondContact O-CA 3.48Å; A37-C58 PolarHBondContact O-SG 2.87Å; A37-V59 PolarHBondContact O-N 3.32Å
38V98.9Very high98.4Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-107.9109.9166.1-178.30000106.9A13 L14 I15 L40 V59 A61 A78 F82A13-V38 PolarHBondContact O-N 3.48Å; L14-V38 HydrophobicContact CD1-CB 3.8Å; L14-V38 HydrophobicContact CD1-CG1 3.63Å; I15-V38 PolarHBondContact N-O 2.96Å; V38-L40 PolarHBondContact O-N 2.9Å; V38-V59 WeakPolarHBondContact CA-O 3.4Å; V38-V59 HydrophobicContact CB-CG2 4.43Å; V38-V59 HydrophobicContact CG1-CG2 4.29Å; V38-V59 HydrophobicContact CG2-CG2 3.9Å; V38-A61 HydrophobicContact CG1-CB 3.82Å; V38-A78 HydrophobicContact CG2-CB 3.71Å; V38-F82 HydrophobicContact CG2-CD2 3.88Å; V38-F82 HydrophobicContact CG2-CE2 3.75Å
39L98.9Very high98.4Very high0 Ų048.3 Ų48.30%028%0.28CS..EExtended strand (participates in β ladder)trans-79114.1175.1-50.9-175.2000107.9A27 A37 Q50 A51 C58 V59 F60 A61A27-L39 HydrophobicContact CB-CD2 3.37Å; A37-L39 HydrophobicContact CB-CD2 4.49Å; L39-Q50 HydrophobicContact CD1-CB 3.99Å; L39-A51 HydrophobicContact CD1-CB 4.09Å; L39-C58 VanDerWaalsContact CG-SG 3.56Å; L39-V59 PolarHBondContact N-O 3.4Å; L39-F60 HydrophobicContact CB-CD2 4.16Å; L39-F60 VanDerWaalsContact O-CD2 3.27Å; L39-F60 WeakPolarHBondContact O-CD2 3.32Å; L39-A61 PolarHBondContact O-N 3.49Å
40L98.9Very high98.4Very high1 Ų146.1 Ų46.11%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-101.4114.7172.3-169.6166.9000107.8L14 I15 T16 G17 G18 V38 A61 A63 V65 V71 A74L14-L40 HydrophobicContact CD1-CB 4.07Å; L14-L40 HydrophobicContact CD1-CD1 4.21Å; L14-L40 HydrophobicContact CD2-CD1 4.36Å; I15-L40 PolarHBondContact O-N 2.94Å; T16-L40 CarbonylContact C-O 3.55Å; T16-L40 WeakPolarHBondContact CA-O 3.37Å; T16-L40 HydrophobicContact CG2-CB 4.3Å; T16-L40 HydrophobicContact CG2-CD1 4.28Å; T16-L40 HydrophobicContact CG2-CD2 4.31Å; G17-L40 PolarHBondContact N-O 2.84Å; G18-L40 PolarHBondContact N-O 3.31Å; V38-L40 PolarHBondContact O-N 2.9Å; L40-A61 WeakPolarHBondContact CA-O 3.15Å; L40-A63 HydrophobicContact CD1-CB 4.27Å; L40-A63 HydrophobicContact CD2-CB 3.71Å; L40-A63 HydrophobicContact CG-CB 3.78Å; L40-V65 HydrophobicContact CD2-CG1 3.66Å; L40-V71 HydrophobicContact CD1-CG2 4.44Å; L40-A74 HydrophobicContact CD1-CB 3.63Å; L40-A74 HydrophobicContact CG-CB 4.16Å
41D98.8Very high98.4Very high25 Ų2546.3 Ų46.313%0.13428%0.275CS..EExtended strand (participates in β ladder)trans-155.8170.3178.4-145.2-43.7000110G17 G18 A19 S45 F60 A61 P62 A63G17-D41 WeakPolarHBondContact CA-OD2 3.29Å; G18-D41 PolarHBondContact N-OD2 3.33Å; A19-D41 HydrophobicContact CB-CB 3.8Å; A19-D41 WeakPolarHBondContact CB-OD2 3.21Å; A19-D41 PolarHBondContact N-OD2 3.27Å; D41-S45 WeakPolarHBondContact CB-OG 3.24Å; D41-F60 HydrophobicContact CB-CE2 3.92Å; D41-A61 PolarHBondContact N-O 3.35Å; D41-P62 CarbonylContact O-C 3.52Å; D41-P62 WeakPolarHBondContact O-CA 3.3Å; D41-A63 CarbonylContact C-O 3.52Å; D41-A63 PolarHBondContact O-N 3.01Å
42L98.5Very high98.3Very high74 Ų7453.9 Ų53.939%0.38731%0.305SS..  trans-60.7147.7-177.4-68.2172.9000111.4N44 S45 D64L42-N44 VanDerWaalsContact CB-OD1 3.24Å; L42-N44 WeakPolarHBondContact CB-OD1 3.45Å; L42-N44 PolarHBondContact O-N 3.36Å; L42-S45 VanDerWaalsContact O-CB 3.22Å; L42-S45 WeakPolarHBondContact O-CB 3.43Å; L42-S45 PolarHBondContact O-N 3.06Å; L42-S45 PolarHBondContact O-OG 2.98Å; L42-D64 HydrophobicContact CD2-CB 4.01Å
43P97.5Very high98.3Very high90 Ų9057.9 Ų57.958%0.58431%0.305SS*.THydrogen-bonded Turntrans-56.7-27.7-178.3-23.930.9000114.8P62P43-P62 HydrophobicContact CB-CB 4.02Å; P43-P62 HydrophobicContact CG-CB 4.03Å
44N96.7Very high98.3Very high143 Ų14354.8 Ų54.877%0.76529%0.292SS*.THydrogen-bonded Turntrans-91.68179.465.9-30.9000113.8L42L42-N44 VanDerWaalsContact CB-OD1 3.24Å; L42-N44 WeakPolarHBondContact CB-OD1 3.45Å; L42-N44 PolarHBondContact O-N 3.36Å
45S97.6Very high98.3Very high33 Ų3354.8 Ų54.823%0.23129%0.292CS..SBendtrans-81171.9172.972.40000111.7A19 D41 L42 G47A19-S45 WeakPolarHBondContact CB-OG 3.31Å; D41-S45 WeakPolarHBondContact CB-OG 3.24Å; L42-S45 VanDerWaalsContact O-CB 3.22Å; L42-S45 WeakPolarHBondContact O-CB 3.43Å; L42-S45 PolarHBondContact O-N 3.06Å; L42-S45 PolarHBondContact O-OG 2.98Å; S45-G47 PolarHBondContact O-N 3.43Å; S45-G47 VanDerWaalsContact O-N 3.12Å; S45-G47 PolarHBondContact OG-N 3.37Å
46D97.4Very high98.2Very high105 Ų10564.8 Ų64.856%0.56134%0.335SS*.SBendtrans-76.314173-69.4-34.8000113.5E48 V49 Q50D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.35Å; D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.91Å; D46-Q50 HydrophobicContact CB-CG 4.37Å; D46-Q50 WeakPolarHBondContact O-CG 3.22Å; D46-Q50 PolarHBondContact O-N 2.87Å
47G98.3Very high98.2Very high0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-55.8-40.2-169.600000114.2S45 Q50 A51 F60S45-G47 PolarHBondContact O-N 3.43Å; S45-G47 VanDerWaalsContact O-N 3.12Å; S45-G47 PolarHBondContact OG-N 3.37Å; G47-Q50 PolarHBondContact O-N 3.36Å; G47-A51 WeakPolarHBondContact O-CB 3.09Å; G47-A51 PolarHBondContact O-N 2.87Å; G47-F60 VanDerWaalsContact C-CG 3.42Å
48E98.3Very high98.2Very high149 Ų14966.2 Ų66.270%0.69635%0.346SS*.Hα-helixtrans-65.1-41.8176.3-171.9173.8-170.900112.1D46 K52 F60D46-E48 VanDerWaalsContact C-N 3.31Å; D46-E48 PolarHBondContact O-N 3.35Å; E48-K52 WeakPolarHBondContact O-CB 3.42Å; E48-K52 PolarHBondContact O-N 2.99Å; E48-F60 HydrophobicContact CB-CD1 3.86Å; E48-F60 HydrophobicContact CB-CE1 4.48Å
49V98.5Very high98.1Very high76 Ų7667.6 Ų67.646%0.46135%0.354SS..Hα-helixtrans-63.7-44.1177.61760000110.4D46 K52 K53D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.91Å; V49-K52 PolarHBondContact O-N 2.86Å; V49-K53 WeakPolarHBondContact O-CG 3.31Å; V49-K53 PolarHBondContact O-N 2.86Å; V49-K53 VanDerWaalsContact O-N 3.15Å
50Q98.6Very high98.1Very high25 Ų2569.2 Ų69.212%0.11736%0.361CS..Hα-helixtrans-69.2-44.1179.9-56.6-53.5-10.300112L24 L39 D46 G47 K52 K53 L54L24-Q50 HydrophobicContact CD1-CB 3.73Å; L24-Q50 HydrophobicContact CD1-CG 3.92Å; L24-Q50 HydrophobicContact CD2-CG 3.96Å; L39-Q50 HydrophobicContact CD1-CB 3.99Å; D46-Q50 HydrophobicContact CB-CG 4.37Å; D46-Q50 WeakPolarHBondContact O-CG 3.22Å; D46-Q50 PolarHBondContact O-N 2.87Å; G47-Q50 PolarHBondContact O-N 3.36Å; Q50-K52 VanDerWaalsContact C-N 3.27Å; Q50-K52 PolarHBondContact O-N 2.75Å; Q50-K53 WeakPolarHBondContact O-CB 3.36Å; Q50-K53 PolarHBondContact O-N 2.73Å; Q50-K53 VanDerWaalsContact O-N 3.11Å; Q50-L54 PolarHBondContact O-N 3.45Å
51A98.5Very high98.1Very high7 Ų769.3 Ų69.36%0.05836%0.362CS..Hα-helixtrans-58.2-41.6175.600000111.4L39 G47 K53 L54 G55 F60L39-A51 HydrophobicContact CD1-CB 4.09Å; G47-A51 WeakPolarHBondContact O-CB 3.09Å; G47-A51 PolarHBondContact O-N 2.87Å; A51-K53 PolarHBondContact O-N 3.04Å; A51-L54 PolarHBondContact O-N 2.91Å; A51-G55 PolarHBondContact O-N 3.33Å; A51-G55 VanDerWaalsContact O-N 3.11Å; A51-F60 HydrophobicContact CB-CB 3.9Å
52K98.4Very high98.1Very high180 Ų18071.6 Ų71.678%0.78338%0.379SS*.Hα-helixtrans-61.8-39.2175.9-172.4175.9-179.7177.10112.9E48 V49 Q50 L54 G55E48-K52 WeakPolarHBondContact O-CB 3.42Å; E48-K52 PolarHBondContact O-N 2.99Å; V49-K52 PolarHBondContact O-N 2.86Å; Q50-K52 VanDerWaalsContact C-N 3.27Å; Q50-K52 PolarHBondContact O-N 2.75Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-G55 PolarHBondContact O-N 3.11Å
53K98.3Very high98.1Very high147 Ų14768.2 Ų68.264%0.63936%0.361SS*.Hα-helixtrans-66-36.3175.2-71.7174.3-173.8168.30112.5V49 Q50 A51 G55V49-K53 WeakPolarHBondContact O-CG 3.31Å; V49-K53 PolarHBondContact O-N 2.86Å; V49-K53 VanDerWaalsContact O-N 3.15Å; Q50-K53 WeakPolarHBondContact O-CB 3.36Å; Q50-K53 PolarHBondContact O-N 2.73Å; Q50-K53 VanDerWaalsContact O-N 3.11Å; A51-K53 PolarHBondContact O-N 3.04Å; K53-G55 PolarHBondContact O-N 3.32Å
54L98.1Very high98.2Very high34 Ų3466.4 Ų66.418%0.17835%0.347CS..Hα-helixtrans-76.2-7.5176.4-68.1176.9000113.5A27 E28 Q50 A51 K52 C58A27-L54 HydrophobicContact CB-CD1 3.92Å; E28-L54 HydrophobicContact CB-CD2 4.37Å; E28-L54 HydrophobicContact CG-CD2 3.84Å; Q50-L54 PolarHBondContact O-N 3.45Å; A51-L54 PolarHBondContact O-N 2.91Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-C58 HydrophobicContact CB-CB 3.43Å; L54-C58 VanDerWaalsContact CB-CB 3.43Å; L54-C58 HydrophobicContact CD1-CB 4.17Å; L54-C58 HydrophobicContact CG-CB 4.45Å
55G97.8Very high98.3Very high35 Ų3560.1 Ų60.136%0.36131%0.313SS..G310 helixtrans73.6-155.8171.200000113.7A51 K52 K53 S57 C58A51-G55 PolarHBondContact O-N 3.33Å; A51-G55 VanDerWaalsContact O-N 3.11Å; K52-G55 PolarHBondContact O-N 3.11Å; K53-G55 PolarHBondContact O-N 3.32Å; G55-S57 PolarHBondContact O-N 2.86Å; G55-S57 VanDerWaalsContact O-N 3.13Å; G55-C58 PolarHBondContact O-N 3.02Å; G55-C58 VanDerWaalsContact O-O 3.12Å
56K96.6Very high98.3Very high211 Ų21161.6 Ų61.692%0.91732%0.321SS*.G310 helixtrans-65.7-18.9-170.2-64.2-177.3-179.4179.30114.5C58K56-C58 PolarHBondContact O-N 2.82Å
57S97.9Very high98.4Very high48 Ų4858.2 Ų58.234%0.33631%0.305SS..G310 helixtrans-81.82.5177.2-58.30000112.5T36 A37 G55T36-S57 CarbonylContact C-O 3.53Å; T36-S57 WeakPolarHBondContact CA-O 3.47Å; T36-S57 WeakPolarHBondContact CB-O 3.45Å; A37-S57 PolarHBondContact N-O 2.83Å; G55-S57 PolarHBondContact O-N 2.86Å; G55-S57 VanDerWaalsContact O-N 3.13Å
58C98.8Very high98.4Very high8 Ų863.3 Ų63.35%0.05433%0.329CS..EExtended strand (participates in β ladder)trans-136139.1-179.2-166.40000112V31 A37 L39 L54 G55 K56V31-C58 HydrophobicContact CG2-CB 4.45Å; A37-C58 VanDerWaalsContact O-CA 3.22Å; A37-C58 WeakPolarHBondContact O-CA 3.48Å; A37-C58 PolarHBondContact O-SG 2.87Å; L39-C58 VanDerWaalsContact CG-SG 3.56Å; L54-C58 HydrophobicContact CB-CB 3.43Å; L54-C58 VanDerWaalsContact CB-CB 3.43Å; L54-C58 HydrophobicContact CD1-CB 4.17Å; L54-C58 HydrophobicContact CG-CB 4.45Å; G55-C58 PolarHBondContact O-N 3.02Å; G55-C58 VanDerWaalsContact O-O 3.12Å; K56-C58 PolarHBondContact O-N 2.82Å
59V98.8Very high98.4Very high28 Ų2864.2 Ų64.217%0.1733%0.331CS..EExtended strand (participates in β ladder)trans-132.3154.5170.6-62.50000110.7A37 V38 L39 L77 K81 F82A37-V59 PolarHBondContact O-N 3.32Å; V38-V59 WeakPolarHBondContact CA-O 3.4Å; V38-V59 HydrophobicContact CB-CG2 4.43Å; V38-V59 HydrophobicContact CG1-CG2 4.29Å; V38-V59 HydrophobicContact CG2-CG2 3.9Å; L39-V59 PolarHBondContact N-O 3.4Å; V59-L77 HydrophobicContact CG2-CD2 4.35Å; V59-L77 HydrophobicContact CG2-CG 4.45Å; V59-K81 HydrophobicContact CG1-CG 4.03Å; V59-F82 HydrophobicContact CG1-CZ 4.17Å; V59-F82 HydrophobicContact CG2-CE2 3.81Å; V59-F82 HydrophobicContact CG2-CZ 4.2Å
60F98.9Very high98.5Very high35 Ų3563 Ų6315%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-101.4132176.1176.8-128.1000110.7L39 D41 G47 E48 A51 P62L39-F60 HydrophobicContact CB-CD2 4.16Å; L39-F60 VanDerWaalsContact O-CD2 3.27Å; L39-F60 WeakPolarHBondContact O-CD2 3.32Å; D41-F60 HydrophobicContact CB-CE2 3.92Å; G47-F60 VanDerWaalsContact C-CG 3.42Å; E48-F60 HydrophobicContact CB-CD1 3.86Å; E48-F60 HydrophobicContact CB-CE1 4.48Å; A51-F60 HydrophobicContact CB-CB 3.9Å; F60-P62 HydrophobicContact CD1-CB 4.49Å; F60-P62 HydrophobicContact CE1-CB 3.71Å; F60-P62 HydrophobicContact CE1-CG 4.3Å; F60-P62 HydrophobicContact CZ-CB 3.82Å
61A98.8Very high98.5Very high3 Ų361.8 Ų61.83%0.02532%0.316CS..EExtended strand (participates in β ladder)trans-114.398.1172.700000108.7V38 L39 L40 D41 A63 A74 L77V38-A61 HydrophobicContact CG1-CB 3.82Å; L39-A61 PolarHBondContact O-N 3.49Å; L40-A61 WeakPolarHBondContact CA-O 3.15Å; D41-A61 PolarHBondContact N-O 3.35Å; A61-A63 PolarHBondContact O-N 2.96Å; A61-A74 HydrophobicContact CB-CB 3.59Å; A61-L77 HydrophobicContact CB-CD2 3.96Å
62P98.6Very high98.5Very high73 Ų7365.1 Ų65.147%0.47433%0.331SS..EExtended strand (participates in β ladder)trans-67.6115.9177.827.2-33000109.9D41 P43 F60D41-P62 CarbonylContact O-C 3.52Å; D41-P62 WeakPolarHBondContact O-CA 3.3Å; P43-P62 HydrophobicContact CB-CB 4.02Å; P43-P62 HydrophobicContact CG-CB 4.03Å; F60-P62 HydrophobicContact CD1-CB 4.49Å; F60-P62 HydrophobicContact CE1-CB 3.71Å; F60-P62 HydrophobicContact CE1-CG 4.3Å; F60-P62 HydrophobicContact CZ-CB 3.82Å
63A98.3Very high98.5Very high2 Ų259.3 Ų59.32%0.01732%0.316CS..  trans-159.2144.5-17300000112.8L40 D41 A61 D70L40-A63 HydrophobicContact CD1-CB 4.27Å; L40-A63 HydrophobicContact CD2-CB 3.71Å; L40-A63 HydrophobicContact CG-CB 3.78Å; D41-A63 CarbonylContact C-O 3.52Å; D41-A63 PolarHBondContact O-N 3.01Å; A61-A63 PolarHBondContact O-N 2.96Å; A63-D70 HydrophobicContact CB-CB 3.63Å
64D98.7Very high98.5Very high53 Ų5352.5 Ų52.528%0.28329%0.287SS..  trans-90123.1162.9-170.3-31000109.8L42 T66 S67 D70L42-D64 HydrophobicContact CD2-CB 4.01Å; D64-T66 PolarHBondContact O-N 2.96Å; D64-T66 VanDerWaalsContact O-N 3.08Å; D64-T66 WeakPolarHBondContact OD1-CB 3.32Å; D64-T66 WeakPolarHBondContact OD1-CG2 3.22Å; D64-T66 PolarHBondContact OD1-N 3.07Å; D64-T66 PolarHBondContact OD1-OG1 3.28Å; D64-T66 PolarHBondContact OD2-OG1 2.84Å; D64-S67 WeakPolarHBondContact O-CB 3.34Å; D64-S67 PolarHBondContact O-N 3.41Å; D64-D70 PolarHBondContact N-OD2 3.01Å
65V98.8Very high98.5Very high10 Ų1050.9 Ų50.96%0.06128%0.278CS..THydrogen-bonded Turntrans-60.4-19.2178-66.50000113.3T16 L40 A92 G124 N127 V128T16-V65 HydrophobicContact CG2-CG1 4.07Å; L40-V65 HydrophobicContact CD2-CG1 3.66Å; V65-A92 HydrophobicContact CG1-CB 3.95Å; V65-A92 HydrophobicContact CG2-CB 4.27Å; V65-G124 WeakPolarHBondContact O-CA 3.44Å; V65-N127 WeakPolarHBondContact O-CB 3.34Å; V65-N127 PolarHBondContact O-ND2 3Å; V65-V128 HydrophobicContact CB-CG2 4.2Å; V65-V128 HydrophobicContact CG1-CG2 4.02Å
66T98.7Very high98.6Very high64 Ų6450.9 Ų50.939%0.39327%0.272SS..THydrogen-bonded Turntrans-81.4-14175.670.70000113.2D64 N119 V120D64-T66 PolarHBondContact O-N 2.96Å; D64-T66 VanDerWaalsContact O-N 3.08Å; D64-T66 WeakPolarHBondContact OD1-CB 3.32Å; D64-T66 WeakPolarHBondContact OD1-CG2 3.22Å; D64-T66 PolarHBondContact OD1-N 3.07Å; D64-T66 PolarHBondContact OD1-OG1 3.28Å; D64-T66 PolarHBondContact OD2-OG1 2.84Å; T66-N119 WeakPolarHBondContact CG2-O 3.27Å; T66-V120 HydrophobicContact CG2-CG2 4.16Å
67S98.8Very high98.7Very high34 Ų3443.4 Ų43.424%0.23824%0.242CC..  trans-93.7116176.8173.40000110.6D64 K69 D70 V71 N127D64-S67 WeakPolarHBondContact O-CB 3.34Å; D64-S67 PolarHBondContact O-N 3.41Å; S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 2.74Å; S67-D70 VanDerWaalsContact CB-CG 3.42Å; S67-D70 PolarHBondContact O-N 2.81Å; S67-D70 PolarHBondContact OG-N 3.09Å; S67-D70 PolarHBondContact OG-OD1 2.98Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 3.48Å; S67-N127 PolarHBondContact O-ND2 3.3Å
68E98.8Very high98.7Very high107 Ų10741.1 Ų41.150%0.523%0.226SC..Hα-helixtrans-55.3-44.6171.9173.5173.6-109.400111.5D70 V71 Q72 R130 L131E68-D70 VanDerWaalsContact C-N 3.33Å; E68-D70 PolarHBondContact O-N 3.07Å; E68-V71 PolarHBondContact O-N 3.37Å; E68-Q72 WeakPolarHBondContact O-CB 3.22Å; E68-Q72 PolarHBondContact O-N 2.87Å; E68-R130 VanDerWaalsContact CD-NH2 3.29Å; E68-R130 IonicContact OE1-CZ 3.53Å; E68-R130 IonicContact OE1-NH1 3.18Å; E68-R130 PolarHBondContact OE1-NH1 3.27Å; E68-R130 IonicContact OE1-NH2 2.75Å; E68-R130 PolarHBondContact OE1-NH2 3.14Å; E68-L131 HydrophobicContact CG-CD1 4.26Å
69K98.8Very high98.6Very high169 Ų16944.9 Ų44.974%0.73524%0.239SC*.Hα-helixtrans-60.6-43.8-178.2-178.2-175.3173.6-173.40111.5S67 Q72 A73S67-K69 VanDerWaalsContact C-N 3.26Å; S67-K69 PolarHBondContact O-N 2.74Å; K69-Q72 PolarHBondContact O-N 2.91Å; K69-A73 WeakPolarHBondContact O-CB 3.47Å; K69-A73 PolarHBondContact O-N 3Å
70D98.8Very high98.5Very high50 Ų5050.5 Ų50.527%0.26726%0.263SS..Hα-helixtrans-69.4-44-176.3-64.316.2000110.7A63 D64 S67 E68 Q72 A73 A74A63-D70 HydrophobicContact CB-CB 3.63Å; D64-D70 PolarHBondContact N-OD2 3.01Å; S67-D70 VanDerWaalsContact CB-CG 3.42Å; S67-D70 PolarHBondContact O-N 2.81Å; S67-D70 PolarHBondContact OG-N 3.09Å; S67-D70 PolarHBondContact OG-OD1 2.98Å; E68-D70 VanDerWaalsContact C-N 3.33Å; E68-D70 PolarHBondContact O-N 3.07Å; D70-Q72 VanDerWaalsContact C-N 3.34Å; D70-Q72 PolarHBondContact O-N 3.27Å; D70-A73 WeakPolarHBondContact O-CB 3.36Å; D70-A73 PolarHBondContact O-N 3.32Å; D70-A74 PolarHBondContact O-N 2.8Å
71V98.8Very high98.5Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-63.9-40.7176.8178.20000110.9L40 S67 E68 A73 A74 L75 V128 L131L40-V71 HydrophobicContact CD1-CG2 4.44Å; S67-V71 WeakPolarHBondContact O-CG2 3.33Å; S67-V71 PolarHBondContact O-N 3.48Å; E68-V71 PolarHBondContact O-N 3.37Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.28Å; V71-A74 WeakPolarHBondContact O-CB 3.3Å; V71-A74 PolarHBondContact O-N 2.92Å; V71-L75 HydrophobicContact CG1-CD1 4.43Å; V71-L75 WeakPolarHBondContact O-CG 3.38Å; V71-L75 PolarHBondContact O-N 3.01Å; V71-V128 HydrophobicContact CG1-CB 4.49Å; V71-V128 HydrophobicContact CG1-CG2 4.06Å; V71-V128 HydrophobicContact CG2-CG2 3.97Å; V71-L131 HydrophobicContact CB-CD1 3.78Å; V71-L131 HydrophobicContact CG1-CB 4.32Å; V71-L131 HydrophobicContact CG1-CD1 3.62Å
72Q98.7Very high98.5Very high77 Ų7757.4 Ų57.436%0.3629%0.292SS..Hα-helixtrans-63.6-37.3175.6-169.76463.500112.3E68 K69 D70 T76E68-Q72 WeakPolarHBondContact O-CB 3.22Å; E68-Q72 PolarHBondContact O-N 2.87Å; K69-Q72 PolarHBondContact O-N 2.91Å; D70-Q72 VanDerWaalsContact C-N 3.34Å; D70-Q72 PolarHBondContact O-N 3.27Å; Q72-T76 WeakPolarHBondContact O-CB 3.32Å; Q72-T76 PolarHBondContact O-N 2.94Å; Q72-T76 PolarHBondContact O-OG1 3.04Å
73A98.7Very high98.4Very high57 Ų5756.6 Ų56.647%0.47130%0.297SS..Hα-helixtrans-66.7-40.8174.200000111.6K69 D70 V71 L75 T76 L77K69-A73 WeakPolarHBondContact O-CB 3.47Å; K69-A73 PolarHBondContact O-N 3Å; D70-A73 WeakPolarHBondContact O-CB 3.36Å; D70-A73 PolarHBondContact O-N 3.32Å; V71-A73 VanDerWaalsContact C-N 3.31Å; V71-A73 PolarHBondContact O-N 3.28Å; A73-L75 PolarHBondContact O-N 3.26Å; A73-T76 WeakPolarHBondContact O-CB 3.31Å; A73-T76 PolarHBondContact O-N 2.89Å; A73-L77 PolarHBondContact O-N 2.89Å
74A98.7Very high98.4Very high4 Ų460.7 Ų60.73%0.03331%0.312CS..Hα-helixtrans-62.3-41.517500000112.5L40 A61 D70 V71 L77 A78L40-A74 HydrophobicContact CD1-CB 3.63Å; L40-A74 HydrophobicContact CG-CB 4.16Å; A61-A74 HydrophobicContact CB-CB 3.59Å; D70-A74 PolarHBondContact O-N 2.8Å; V71-A74 WeakPolarHBondContact O-CB 3.3Å; V71-A74 PolarHBondContact O-N 2.92Å; A74-L77 PolarHBondContact O-N 2.81Å; A74-A78 PolarHBondContact O-N 3.28Å
75L98.7Very high98.4Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-64.8-40.1173.9-69.9171.2000112L14 V71 A73 A78 R79 V85 L131 V132 E135L14-L75 HydrophobicContact CD2-CD2 3.75Å; L14-L75 HydrophobicContact CD2-CG 4.49Å; V71-L75 HydrophobicContact CG1-CD1 4.43Å; V71-L75 WeakPolarHBondContact O-CG 3.38Å; V71-L75 PolarHBondContact O-N 3.01Å; A73-L75 PolarHBondContact O-N 3.26Å; L75-A78 WeakPolarHBondContact O-CB 3.45Å; L75-A78 PolarHBondContact O-N 3.19Å; L75-R79 PolarHBondContact O-N 2.84Å; L75-V85 HydrophobicContact CD2-CG2 4.23Å; L75-L131 HydrophobicContact CD1-CB 3.58Å; L75-V132 HydrophobicContact CD2-CB 4.11Å; L75-V132 HydrophobicContact CD2-CG2 3.8Å; L75-E135 HydrophobicContact CD2-CB 4.48Å
76T98.6Very high98.4Very high36 Ų3657.8 Ų57.822%0.22130%0.297CS..Hα-helixtrans-62-44.9175.4-61.20000111.1Q72 A73 A78 R79 E80Q72-T76 WeakPolarHBondContact O-CB 3.32Å; Q72-T76 PolarHBondContact O-N 2.94Å; Q72-T76 PolarHBondContact O-OG1 3.04Å; A73-T76 WeakPolarHBondContact O-CB 3.31Å; A73-T76 PolarHBondContact O-N 2.89Å; T76-A78 VanDerWaalsContact C-N 3.34Å; T76-A78 PolarHBondContact O-N 2.72Å; T76-R79 PolarHBondContact O-N 3.07Å; T76-R79 PolarHBondContact OG1-NH2 2.82Å; T76-E80 HydrophobicContact CG2-CG 4.38Å; T76-E80 WeakPolarHBondContact O-CB 3.49Å; T76-E80 WeakPolarHBondContact O-CG 3.3Å; T76-E80 PolarHBondContact O-N 2.88Å
77L98.5Very high98.4Very high54 Ų5454.8 Ų54.828%0.28328%0.278SS..Hα-helixtrans-59.7-43.2174.1177.663.2000111.9V59 A61 A73 A74 R79 E80 K81V59-L77 HydrophobicContact CG2-CD2 4.35Å; V59-L77 HydrophobicContact CG2-CG 4.45Å; A61-L77 HydrophobicContact CB-CD2 3.96Å; A73-L77 PolarHBondContact O-N 2.89Å; A74-L77 PolarHBondContact O-N 2.81Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.86Å; L77-E80 PolarHBondContact O-N 3.07Å; L77-K81 VanDerWaalsContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CB 3.24Å; L77-K81 PolarHBondContact O-N 2.64Å
78A98.1Very high98.4Very high0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-58.1-47.2176.900000111.5V38 A74 L75 T76 K81 F82 V85V38-A78 HydrophobicContact CG2-CB 3.71Å; A74-A78 PolarHBondContact O-N 3.28Å; L75-A78 WeakPolarHBondContact O-CB 3.45Å; L75-A78 PolarHBondContact O-N 3.19Å; T76-A78 VanDerWaalsContact C-N 3.34Å; T76-A78 PolarHBondContact O-N 2.72Å; A78-K81 PolarHBondContact O-N 3.35Å; A78-F82 PolarHBondContact O-N 3.01Å; A78-V85 HydrophobicContact CB-CG2 3.71Å
79R96.8Very high98.4Very high87 Ų8748.1 Ų48.133%0.32824%0.243SC..Hα-helixtrans-64.5-46.1177.2-176.118054.2-111-2.1112.2L75 T76 L77 K81 G83 E135L75-R79 PolarHBondContact O-N 2.84Å; T76-R79 PolarHBondContact O-N 3.07Å; T76-R79 PolarHBondContact OG1-NH2 2.82Å; L77-R79 VanDerWaalsContact C-N 3.34Å; L77-R79 PolarHBondContact O-N 2.86Å; R79-K81 PolarHBondContact O-N 2.81Å; R79-G83 WeakPolarHBondContact O-CA 3.33Å; R79-G83 PolarHBondContact O-N 2.83Å; R79-E135 WeakPolarHBondContact CD-OE1 3.19Å; R79-E135 IonicContact NH1-OE1 2.79Å; R79-E135 PolarHBondContact NH1-OE1 2.86Å; R79-E135 IonicContact NH1-OE2 3.17Å; R79-E135 PolarHBondContact NH1-OE2 2.82Å
80E97.9Very high98.4Very high146 Ų14640.1 Ų40.168%0.68221%0.209SC*.Hα-helixtrans-63.2-32.9179.1-74.6176.8178.400112.4T76 L77T76-E80 HydrophobicContact CG2-CG 4.38Å; T76-E80 WeakPolarHBondContact O-CB 3.49Å; T76-E80 WeakPolarHBondContact O-CG 3.3Å; T76-E80 PolarHBondContact O-N 2.88Å; L77-E80 PolarHBondContact O-N 3.07Å
81K98Very high98.4Very high136 Ų13638.9 Ų38.959%0.59120%0.203SC*.Hα-helixtrans-92.7-34.2-174.4-148.251.2159.7-176.90114.8V59 L77 A78 R79V59-K81 HydrophobicContact CG1-CG 4.03Å; L77-K81 VanDerWaalsContact O-CB 3.31Å; L77-K81 WeakPolarHBondContact O-CB 3.24Å; L77-K81 PolarHBondContact O-N 2.64Å; A78-K81 PolarHBondContact O-N 3.35Å; R79-K81 PolarHBondContact O-N 2.81Å
82F98.2Very high98.4Very high46 Ų4639.7 Ų39.720%0.20221%0.21CC..Hα-helixtrans-128.9-3.2-173.3-54-54.2000113.9V12 T36 V38 V59 A78 R84V12-F82 HydrophobicContact CB-CB 4.34Å; V12-F82 HydrophobicContact CG1-CB 3.77Å; V12-F82 HydrophobicContact CG1-CD2 3.74Å; V12-F82 HydrophobicContact CG1-CG 4.12Å; V12-F82 HydrophobicContact CG2-CB 3.58Å; V12-F82 HydrophobicContact CG2-CG 4.47Å; T36-F82 HydrophobicContact CG2-CD1 3.91Å; T36-F82 HydrophobicContact CG2-CE1 3.83Å; T36-F82 HydrophobicContact CG2-CG 4.49Å; T36-F82 HydrophobicContact CG2-CZ 4.33Å; V38-F82 HydrophobicContact CG2-CD2 3.88Å; V38-F82 HydrophobicContact CG2-CE2 3.75Å; V59-F82 HydrophobicContact CG1-CZ 4.17Å; V59-F82 HydrophobicContact CG2-CE2 3.81Å; V59-F82 HydrophobicContact CG2-CZ 4.2Å; A78-F82 PolarHBondContact O-N 3.01Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.79Å
83G97.9Very high98.2Very high56 Ų5638.1 Ų38.158%0.57721%0.214SC*.SBendtrans85-14.9170.900000116R79R79-G83 WeakPolarHBondContact O-CA 3.33Å; R79-G83 PolarHBondContact O-N 2.83Å
84R97.8Very high98.1Very high88 Ų8838.3 Ų38.333%0.33221%0.207SC..  trans-163.7175.3-175.660.5-169.3-68.3151-1112.1V12 F82 D86 N139V12-R84 VanDerWaalsContact CB-O 3.3Å; V12-R84 WeakPolarHBondContact CB-O 3.35Å; V12-R84 VanDerWaalsContact CG1-O 3.24Å; V12-R84 WeakPolarHBondContact CG1-O 3.44Å; V12-R84 HydrophobicContact CG2-CG 3.81Å; F82-R84 VanDerWaalsContact C-N 3.3Å; F82-R84 PolarHBondContact O-N 2.79Å; R84-D86 IonicContact CZ-OD1 3.22Å; R84-D86 IonicContact NE-OD1 2.89Å; R84-D86 PolarHBondContact NE-OD1 3.5Å; R84-D86 IonicContact NE-OD2 3.87Å; R84-D86 PolarHBondContact NE-OD2 3.26Å; R84-D86 IonicContact NH2-OD1 2.76Å; R84-D86 PolarHBondContact NH2-OD1 3.07Å; R84-N139 WeakPolarHBondContact CB-OD1 3.24Å
85V98.6Very high97.7Very high0 Ų040.5 Ų40.50%023%0.225CC..  trans-132.8123.3166.5-179.20000108.9L14 L75 A78 V132 E135 M136 N139L14-V85 HydrophobicContact CB-CG1 4.25Å; L75-V85 HydrophobicContact CD2-CG2 4.23Å; A78-V85 HydrophobicContact CB-CG2 3.71Å; V85-V132 HydrophobicContact CB-CG2 4.39Å; V85-V132 HydrophobicContact CG1-CG2 3.65Å; V85-E135 HydrophobicContact CB-CG 4.16Å; V85-E135 HydrophobicContact CG2-CG 3.99Å; V85-M136 HydrophobicContact CG1-CE 4.25Å; V85-M136 WeakPolarHBondContact O-CG 3.39Å; V85-N139 PolarHBondContact O-ND2 3.5Å
86D98.8Very high97.3Very high3 Ų342 Ų422%0.01623%0.234CC..  trans-108.8-27.2-177.2-60.3-65.1000113.1L11 V12 R84 G148 V149L11-D86 WeakPolarHBondContact CA-OD2 3.31Å; L11-D86 HydrophobicContact CB-CB 4.11Å; L11-D86 HydrophobicContact CD2-CB 4.02Å; L11-D86 HydrophobicContact CG-CB 4.49Å; V12-D86 PolarHBondContact N-OD2 3.05Å; V12-D86 PolarHBondContact O-N 3.13Å; R84-D86 IonicContact CZ-OD1 3.22Å; R84-D86 IonicContact NE-OD1 2.89Å; R84-D86 PolarHBondContact NE-OD1 3.5Å; R84-D86 IonicContact NE-OD2 3.87Å; R84-D86 PolarHBondContact NE-OD2 3.26Å; R84-D86 IonicContact NH2-OD1 2.76Å; R84-D86 PolarHBondContact NH2-OD1 3.07Å; D86-G148 CarbonylContact O-C 3.33Å; D86-G148 VanDerWaalsContact O-CA 3.24Å; D86-G148 WeakPolarHBondContact O-CA 3.43Å; D86-V149 PolarHBondContact O-N 3.24Å
87V98.9Very high96.9Very high1 Ų144.9 Ų44.91%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-134.1135.6-175.6-177.10000109.1L11 V12 A13 L14 V89 V149 I241L11-V87 HydrophobicContact CD1-CG2 4.18Å; V12-V87 PolarHBondContact O-N 2.9Å; V12-V87 VanDerWaalsContact O-N 3.07Å; A13-V87 CarbonylContact C-O 3.48Å; A13-V87 WeakPolarHBondContact CA-O 3.35Å; A13-V87 HydrophobicContact CB-CB 3.96Å; A13-V87 HydrophobicContact CB-CG1 4.33Å; L14-V87 PolarHBondContact N-O 2.79Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V87-V149 WeakPolarHBondContact CA-O 3.35Å; V87-V149 HydrophobicContact CB-CG1 4.29Å; V87-V149 HydrophobicContact CG1-CG1 4.12Å; V87-V149 HydrophobicContact CG2-CG1 3.82Å; V87-I241 HydrophobicContact CG1-CD1 3.76Å; V87-I241 HydrophobicContact CG1-CG1 4.05Å; V87-I241 HydrophobicContact CG2-CD1 4.05Å; V87-I241 HydrophobicContact CG2-CG1 4.14Å; V87-I241 HydrophobicContact CG2-CG2 4.13Å
88A98.9Very high96.8Very high0 Ų044.5 Ų44.50%026%0.259CS..EExtended strand (participates in β ladder)trans-120.7128.5165.500000109.3L14 V132 M136 V149 I150 I151L14-A88 CarbonylContact O-C 3.58Å; L14-A88 WeakPolarHBondContact O-CA 3.33Å; A88-V132 HydrophobicContact CB-CB 4.39Å; A88-V132 HydrophobicContact CB-CG1 3.75Å; A88-V132 HydrophobicContact CB-CG2 4.03Å; A88-M136 HydrophobicContact CB-CE 3.92Å; A88-V149 PolarHBondContact N-O 3.22Å; A88-I150 HydrophobicContact CB-CG1 4.33Å; A88-I150 CarbonylContact O-C 3.57Å; A88-I150 WeakPolarHBondContact O-CA 3.39Å; A88-I151 PolarHBondContact O-N 3.47Å
89V98.9Very high96.7Very high0 Ų049.7 Ų49.70%028%0.282CS..EExtended strand (participates in β ladder)trans-121110.6175.9-166.60000109.1L14 I15 T16 T26 V87 C91 I151 V237L14-V89 PolarHBondContact O-N 2.95Å; I15-V89 WeakPolarHBondContact CA-O 3.48Å; I15-V89 HydrophobicContact CG1-CB 4.24Å; I15-V89 HydrophobicContact CG1-CG2 4.28Å; I15-V89 HydrophobicContact CG2-CB 4.34Å; T16-V89 PolarHBondContact N-O 3.25Å; T26-V89 HydrophobicContact CG2-CG1 4.36Å; T26-V89 HydrophobicContact CG2-CG2 4.16Å; V87-V89 HydrophobicContact CG1-CG2 3.79Å; V89-C91 PolarHBondContact O-N 2.97Å; V89-I151 CarbonylContact C-O 3.55Å; V89-I151 VanDerWaalsContact CA-O 3.31Å; V89-I151 WeakPolarHBondContact CA-O 3.33Å; V89-I151 HydrophobicContact CG1-CB 4.41Å; V89-V237 HydrophobicContact CG1-CG1 4.49Å; V89-V237 HydrophobicContact CG1-CG2 4.23Å; V89-V237 HydrophobicContact CG2-CG1 3.93Å
90N98.9Very high96.8Very high2 Ų250.5 Ų50.51%0.01130%0.296CS..EExtended strand (participates in β ladder)trans-88.495.3-179.9-68.1-57000110.4T16 T125 V128 I151 N152 T153T16-N90 WeakPolarHBondContact OG1-CA 3.29Å; N90-T125 HydrophobicContact CB-CG2 3.89Å; N90-V128 WeakPolarHBondContact OD1-CB 3.24Å; N90-V128 VanDerWaalsContact OD1-CG1 3.24Å; N90-V128 WeakPolarHBondContact OD1-CG1 3.46Å; N90-I151 PolarHBondContact N-O 2.88Å; N90-N152 PolarHBondContact ND2-OD1 3.39Å; N90-T153 WeakPolarHBondContact O-CB 3.44Å; N90-T153 PolarHBondContact O-N 2.98Å; N90-T153 PolarHBondContact O-OG1 3.18Å
91C98.6Very high96.8Very high23 Ų2348.9 Ų48.916%0.15529%0.285CS..  trans-109.8-13.7175.5-60.80000113.8T16 V89 G93 T153T16-C91 CarbonylContact O-C 3.54Å; T16-C91 WeakPolarHBondContact O-CA 3.27Å; T16-C91 WeakPolarHBondContact O-CB 3.24Å; T16-C91 PolarHBondContact O-N 3.39Å; T16-C91 PolarHBondContact OG1-N 2.78Å; T16-C91 VanDerWaalsContact OG1-N 3.14Å; V89-C91 PolarHBondContact O-N 2.97Å; C91-G93 PolarHBondContact O-N 3.44Å; C91-T153 PolarHBondContact SG-OG1 3.2Å
92A97.5Very high96.8Very high17 Ų1744.3 Ų44.314%0.1427%0.266CS..  trans-56.6134.2176.600000111.1T16 V65T16-A92 PolarHBondContact O-N 3.11Å; T16-A92 WeakPolarHBondContact OG1-CB 3.39Å; T16-A92 PolarHBondContact OG1-N 2.91Å; T16-A92 VanDerWaalsContact OG1-N 3.11Å; V65-A92 HydrophobicContact CG1-CB 3.95Å; V65-A92 HydrophobicContact CG2-CB 4.27Å
93G96.2Very high96.8Very high44 Ų4448.8 Ų48.845%0.45429%0.292SS..  trans177.7159.1176.400000114C91 N121C91-G93 PolarHBondContact O-N 3.44Å; G93-N121 WeakPolarHBondContact CA-OD1 3.36Å
94I95.7Very high96.7Very high62 Ų6255.9 Ų55.932%0.31831%0.307SS..  trans-123.8159176.860.5171.9000110.4R116 V117 V120 N121 Y168I94-R116 HydrophobicContact CD1-CG 3.95Å; I94-V117 HydrophobicContact CD1-CG2 4.26Å; I94-V117 HydrophobicContact CG1-CG2 4.4Å; I94-V120 HydrophobicContact CD1-CB 4.11Å; I94-V120 HydrophobicContact CD1-CG2 3.93Å; I94-V120 HydrophobicContact CG1-CB 4.03Å; I94-V120 HydrophobicContact CG1-CG1 4.18Å; I94-V120 HydrophobicContact CG1-CG2 4.38Å; I94-V120 HydrophobicContact CG2-CG1 4.31Å; I94-N121 PolarHBondContact N-OD1 3.35Å; I94-N121 PolarHBondContact O-ND2 3.28Å; I94-N121 PolarHBondContact O-OD1 3.11Å; I94-Y168 WeakPolarHBondContact O-CD2 3.37Å; I94-Y168 WeakPolarHBondContact O-CE2 3.42Å
95A90.1Very high96.7Very high49 Ų4958.6 Ų58.641%0.40532%0.321SS..  trans-133.2143.7174.700000110.1Y168 L205A95-Y168 HydrophobicContact CB-CD2 3.79Å; A95-Y168 HydrophobicContact CB-CE2 3.86Å; A95-Y168 HydrophobicContact CB-CG 4.38Å; A95-L205 HydrophobicContact CB-CD2 4.49Å
96V89.4Confident96.6Very high33 Ų3364.4 Ų64.420%0.235%0.352CS..  trans-129.3148.2171.1-570000108.6V117 A167V96-V117 HydrophobicContact CB-CG2 4.34Å; V96-V117 HydrophobicContact CG1-CG2 3.81Å; V96-V117 HydrophobicContact CG2-CG2 3.68Å; V96-A167 HydrophobicContact CG2-CB 4.2Å
97A91.8Very high96.6Very high96 Ų9668.6 Ų68.679%0.79337%0.372SS*.  trans-117.796.5175.200000109.2G164A97-G164 WeakPolarHBondContact CA-O 3.22Å
98M94.9Very high96.5Very high45 Ų4571.5 Ų71.522%0.22240%0.395CS..  trans-143.9126.4-177.7-173.6175.6-143.600110.2H109 T110 G164M98-H109 HydrophobicContact CG-CB 4.31Å; M98-H109 PolarHBondContact O-CD2 3.25Å; M98-H109 HydrophobicContact SD-CB 4.2Å; M98-T110 HydrophobicContact CE-CG2 4.45Å; M98-G164 CarbonylContact C-O 3.58Å; M98-G164 PolarHBondContact N-O 3.16Å; M98-G164 CarbonylContact O-C 3.56Å; M98-G164 VanDerWaalsContact O-CA 3.23Å; M98-G164 WeakPolarHBondContact O-CA 3.41Å; M98-G164 VanDerWaalsContact O-O 3.04Å
99K97.1Very high96.5Very high110 Ų11072.8 Ų72.848%0.47840%0.401SS..  trans-65.5141.2176.6-63.7-171179-166.90109.6Y101 V163K99-Y101 PolarHBondContact O-N 3.39Å; K99-Y101 VanDerWaalsContact O-N 3.14Å; K99-V163 HydrophobicContact CD-CG1 4.2Å; K99-V163 HydrophobicContact CG-CG1 4.05Å
100T98.3Very high96.4Very high103 Ų10375.2 Ų75.263%0.63242%0.416SS*.SBendtrans-47.8-43.3172.8-53.50000111.5H109T100-H109 PolarHBondContact O-N 3.4Å
101Y98.4Very high96.4Very high113 Ų11381.4 Ų81.444%0.44345%0.449SS..EExtended strand (participates in β ladder)trans-144.1132.5167.5-179-98000109.2K99 L103 N106 A108K99-Y101 PolarHBondContact O-N 3.39Å; K99-Y101 VanDerWaalsContact O-N 3.14Å; Y101-L103 HydrophobicContact CE1-CB 4.35Å; Y101-L103 HydrophobicContact CE1-CD1 4.1Å; Y101-N106 PolarHBondContact OH-OD1 2.91Å; Y101-A108 HydrophobicContact CD2-CB 4.18Å
102N97.5Very high96.4Very high39 Ų3987.7 Ų87.721%0.20948%0.476CS..EExtended strand (participates in β ladder)trans-102.6101177.2-172.6-30.6000109.6K104 K105 N106 Q107N102-K104 VanDerWaalsContact C-N 3.33Å; N102-K104 PolarHBondContact O-N 3.47Å; N102-K104 PolarHBondContact OD1-N 3.12Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å; N102-K105 HydrophobicContact CB-CB 4.24Å; N102-K105 CarbonylContact O-C 3.58Å; N102-K105 PolarHBondContact O-N 3.26Å; N102-K105 PolarHBondContact OD1-N 3.2Å; N102-N106 WeakPolarHBondContact O-CA 3.43Å; N102-N106 PolarHBondContact O-N 3.18Å; N102-Q107 PolarHBondContact N-O 2.93Å; N102-Q107 PolarHBondContact O-N 2.98Å; N102-Q107 VanDerWaalsContact O-N 3.14Å
103L97.4Very high96.4Very high141 Ų14188.8 Ų88.874%0.73848%0.479SS*.G310 helixtrans-58.4-40.2-179.1-175.864000113.2Y101 K105 N106Y101-L103 HydrophobicContact CE1-CB 4.35Å; Y101-L103 HydrophobicContact CE1-CD1 4.1Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.39Å; L103-N106 PolarHBondContact O-N 3.27Å
104K97.1Very high96.5Very high204 Ų20489.7 Ų89.789%0.88747%0.471SS*.G310 helixtrans-67.3-33.4-178.7-67.2-172.9177.7-175.40112.7N102N102-K104 VanDerWaalsContact C-N 3.33Å; N102-K104 PolarHBondContact O-N 3.47Å; N102-K104 PolarHBondContact OD1-N 3.12Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å
105K96.7Very high96.6Very high146 Ų14691 Ų9164%0.63548%0.476SS*.G310 helixtrans-94.1-3.5177.4-63.9-172.1177.5-174.40112.9N102 L103 Q107N102-K105 HydrophobicContact CB-CB 4.24Å; N102-K105 CarbonylContact O-C 3.58Å; N102-K105 PolarHBondContact O-N 3.26Å; N102-K105 PolarHBondContact OD1-N 3.2Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.39Å; K105-Q107 HydrophobicContact CB-CB 4.02Å; K105-Q107 PolarHBondContact O-N 2.87Å
106N97.1Very high97Very high122 Ų12294.6 Ų94.665%0.65248%0.479SS*.THydrogen-bonded Turntrans44.749.9-169.8-172.922.9000112.3Y101 N102 L103Y101-N106 PolarHBondContact OH-OD1 2.91Å; N102-N106 WeakPolarHBondContact O-CA 3.43Å; N102-N106 PolarHBondContact O-N 3.18Å; L103-N106 PolarHBondContact O-N 3.27Å
107Q98.1Very high97.5Very high91 Ų9193 Ų9343%0.42547%0.469SS..EExtended strand (participates in β ladder)trans-134.9126.8-168.7-175.9178.150.200111.2N102 K105N102-Q107 PolarHBondContact N-O 2.93Å; N102-Q107 PolarHBondContact O-N 2.98Å; N102-Q107 VanDerWaalsContact O-N 3.14Å; K105-Q107 HydrophobicContact CB-CB 4.02Å; K105-Q107 PolarHBondContact O-N 2.87Å
108A98.4Very high97.8Very high61 Ų6190.1 Ų90.150%0.50444%0.44SS..EExtended strand (participates in β ladder)trans-77.9153170.300000111.4Y101 T110Y101-A108 HydrophobicContact CD2-CB 4.18Å; A108-T110 PolarHBondContact O-N 3.2Å
109H98.1Very high98Very high28 Ų2891 Ų9113%0.1345%0.446CS..PPolyproline II helixtrans-58.4134.5166.6-166.7-54.9000109.6M98 T100M98-H109 HydrophobicContact CG-CB 4.31Å; M98-H109 PolarHBondContact O-CD2 3.25Å; M98-H109 HydrophobicContact SD-CB 4.2Å; T100-H109 PolarHBondContact O-N 3.4Å
110T98Very high98.1Very high50 Ų5087.2 Ų87.231%0.30743%0.432SS..PPolyproline II helixtrans-69.5141.3177.774.80000109.7M98 A108 E112 D113 F114M98-T110 HydrophobicContact CE-CG2 4.45Å; A108-T110 PolarHBondContact O-N 3.2Å; T110-E112 PolarHBondContact O-N 2.93Å; T110-D113 WeakPolarHBondContact OG1-CB 3.49Å; T110-D113 PolarHBondContact OG1-N 3.37Å; T110-D113 PolarHBondContact OG1-OD2 2.91Å; T110-F114 PolarHBondContact O-N 3.22Å
111L98.4Very high98.1Very high133 Ų13382.3 Ų82.370%0.69640%0.402SS*.Hα-helixtrans-66.2-32.5173.8-177.859.8000111.1F114 Q115L111-F114 PolarHBondContact O-N 3.06Å; L111-Q115 WeakPolarHBondContact O-CB 3.35Å; L111-Q115 PolarHBondContact O-N 3.23Å
112E98.3Very high98.1Very high155 Ų15578.6 Ų78.672%0.72439%0.389SS*.Hα-helixtrans-60-47.2177.7-174.4-179.6176.500112.3T110 F114 Q115 R116T110-E112 PolarHBondContact O-N 2.93Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 3.44Å; E112-Q115 PolarHBondContact O-N 2.89Å; E112-R116 VanDerWaalsContact O-CB 3.29Å; E112-R116 WeakPolarHBondContact O-CB 3.5Å; E112-R116 PolarHBondContact O-N 3.07Å
113D96.9Very high98.2Very high39 Ų3981.6 Ų81.621%0.20940%0.403CS..Hα-helixtrans-64.5-38.3177.6-76.4-49.9000111.8T110 R116 V117T110-D113 WeakPolarHBondContact OG1-CB 3.49Å; T110-D113 PolarHBondContact OG1-N 3.37Å; T110-D113 PolarHBondContact OG1-OD2 2.91Å; D113-R116 IonicContact OD1-CZ 2.81Å; D113-R116 IonicContact OD1-NE 3.75Å; D113-R116 IonicContact OD1-NH2 3.98Å; D113-R116 PolarHBondContact OD1-NH2 2.8Å; D113-V117 WeakPolarHBondContact O-CG2 3.46Å; D113-V117 PolarHBondContact O-N 3.09Å
114F98.6Very high98.2Very high64 Ų6474.9 Ų74.928%0.28137%0.368SS..Hα-helixtrans-62.7-51.6175.6-171.5-87.4000110.4T110 L111 E112 R116 V117 L118 A167 A170T110-F114 PolarHBondContact O-N 3.22Å; L111-F114 PolarHBondContact O-N 3.06Å; E112-F114 VanDerWaalsContact C-N 3.31Å; E112-F114 PolarHBondContact O-N 3.44Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.27Å; F114-V117 PolarHBondContact O-N 2.97Å; F114-L118 HydrophobicContact CD1-CD1 3.72Å; F114-L118 HydrophobicContact CD1-CD2 4.18Å; F114-L118 HydrophobicContact CD2-CD1 4.49Å; F114-L118 HydrophobicContact CE1-CD1 3.45Å; F114-L118 VanDerWaalsContact CE1-CD1 3.45Å; F114-L118 HydrophobicContact CE1-CD2 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.15Å; F114-L118 HydrophobicContact CE2-CD1 4.26Å; F114-L118 HydrophobicContact CG-CD1 4.24Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.25Å; F114-L118 WeakPolarHBondContact O-CD1 3.2Å; F114-L118 PolarHBondContact O-N 3.44Å; F114-L118 VanDerWaalsContact O-N 3.1Å; F114-A167 HydrophobicContact CB-CB 4.42Å; F114-A167 HydrophobicContact CD2-CB 3.57Å; F114-A167 HydrophobicContact CE2-CB 4.11Å; F114-A167 HydrophobicContact CG-CB 4.2Å; F114-A170 HydrophobicContact CE2-CB 4.2Å; F114-A170 HydrophobicContact CZ-CB 3.89Å
115Q98.7Very high98.3Very high89 Ų8965.4 Ų65.442%0.41633%0.327SS..Hα-helixtrans-60.2-41.4179.6-170.465.960.700111.8L111 E112 V117 L118 N119L111-Q115 WeakPolarHBondContact O-CB 3.35Å; L111-Q115 PolarHBondContact O-N 3.23Å; E112-Q115 PolarHBondContact O-N 2.89Å; Q115-V117 PolarHBondContact O-N 3.32Å; Q115-L118 PolarHBondContact O-N 3.48Å; Q115-N119 PolarHBondContact NE2-OD1 2.84Å; Q115-N119 VanDerWaalsContact O-CB 3.3Å; Q115-N119 WeakPolarHBondContact O-CB 3.47Å; Q115-N119 PolarHBondContact O-N 2.87Å; Q115-N119 PolarHBondContact O-OD1 2.8Å
116R98.4Very high98.4Very high125 Ų12562.7 Ų62.747%0.47232%0.316SS..Hα-helixtrans-59.9-45.1178.2-178.5171.160.4145.3-5.2112I94 E112 D113 F114 N119 V120I94-R116 HydrophobicContact CD1-CG 3.95Å; E112-R116 VanDerWaalsContact O-CB 3.29Å; E112-R116 WeakPolarHBondContact O-CB 3.5Å; E112-R116 PolarHBondContact O-N 3.07Å; D113-R116 IonicContact OD1-CZ 2.81Å; D113-R116 IonicContact OD1-NE 3.75Å; D113-R116 IonicContact OD1-NH2 3.98Å; D113-R116 PolarHBondContact OD1-NH2 2.8Å; F114-R116 VanDerWaalsContact C-N 3.32Å; F114-R116 PolarHBondContact O-N 3.27Å; R116-N119 PolarHBondContact O-N 3.31Å; R116-V120 PolarHBondContact O-N 2.83Å; R116-V120 VanDerWaalsContact O-N 3.07Å
117V98.5Very high98.5Very high0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-64.4-43.6177.5174.20000111.3I94 V96 D113 F114 Q115 N121 A167I94-V117 HydrophobicContact CD1-CG2 4.26Å; I94-V117 HydrophobicContact CG1-CG2 4.4Å; V96-V117 HydrophobicContact CB-CG2 4.34Å; V96-V117 HydrophobicContact CG1-CG2 3.81Å; V96-V117 HydrophobicContact CG2-CG2 3.68Å; D113-V117 WeakPolarHBondContact O-CG2 3.46Å; D113-V117 PolarHBondContact O-N 3.09Å; F114-V117 PolarHBondContact O-N 2.97Å; Q115-V117 PolarHBondContact O-N 3.32Å; V117-N121 VanDerWaalsContact O-CB 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.36Å; V117-N121 PolarHBondContact O-N 3.11Å; V117-A167 HydrophobicContact CB-CB 4Å; V117-A167 HydrophobicContact CG1-CB 4.11Å; V117-A167 HydrophobicContact CG2-CB 4.18Å
118L98.8Very high98.6Very high34 Ų3453.1 Ų53.118%0.17827%0.267CS..Hα-helixtrans-64.3-42.1176.1-88.670.1000111.7F114 Q115 L122 M123 A170F114-L118 HydrophobicContact CD1-CD1 3.72Å; F114-L118 HydrophobicContact CD1-CD2 4.18Å; F114-L118 HydrophobicContact CD2-CD1 4.49Å; F114-L118 HydrophobicContact CE1-CD1 3.45Å; F114-L118 VanDerWaalsContact CE1-CD1 3.45Å; F114-L118 HydrophobicContact CE1-CD2 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.15Å; F114-L118 HydrophobicContact CE2-CD1 4.26Å; F114-L118 HydrophobicContact CG-CD1 4.24Å; F114-L118 HydrophobicContact CZ-CD1 3.74Å; F114-L118 HydrophobicContact CZ-CD2 4.25Å; F114-L118 WeakPolarHBondContact O-CD1 3.2Å; F114-L118 PolarHBondContact O-N 3.44Å; F114-L118 VanDerWaalsContact O-N 3.1Å; Q115-L118 PolarHBondContact O-N 3.48Å; L118-L122 WeakPolarHBondContact O-CA 3.36Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 PolarHBondContact O-N 3.08Å; L118-M123 PolarHBondContact O-N 2.86Å; L118-A170 HydrophobicContact CD1-CB 4.41Å
119N98.8Very high98.6Very high64 Ų6450.3 Ų50.334%0.34224%0.244SC..Iπ-helixtrans-61-49.7-179.9-76.4-5000111.4T66 Q115 R116 M123 G124T66-N119 WeakPolarHBondContact CG2-O 3.27Å; Q115-N119 PolarHBondContact NE2-OD1 2.84Å; Q115-N119 VanDerWaalsContact O-CB 3.3Å; Q115-N119 WeakPolarHBondContact O-CB 3.47Å; Q115-N119 PolarHBondContact O-N 2.87Å; Q115-N119 PolarHBondContact O-OD1 2.8Å; R116-N119 PolarHBondContact O-N 3.31Å; N119-M123 CarbonylContact O-C 3.42Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 3.26Å; N119-G124 PolarHBondContact O-N 3.16Å
120V98.6Very high98.6Very high31 Ų3153.7 Ų53.719%0.18826%0.256CS..Iπ-helixtrans-70.5-53.6-179.61770000111.1T66 I94 R116 G124T66-V120 HydrophobicContact CG2-CG2 4.16Å; I94-V120 HydrophobicContact CD1-CB 4.11Å; I94-V120 HydrophobicContact CD1-CG2 3.93Å; I94-V120 HydrophobicContact CG1-CB 4.03Å; I94-V120 HydrophobicContact CG1-CG1 4.18Å; I94-V120 HydrophobicContact CG1-CG2 4.38Å; I94-V120 HydrophobicContact CG2-CG1 4.31Å; R116-V120 PolarHBondContact O-N 2.83Å; R116-V120 VanDerWaalsContact O-N 3.07Å; V120-G124 WeakPolarHBondContact O-CA 3.41Å; V120-G124 PolarHBondContact O-N 3Å
121N98.8Very high98.7Very high0 Ų052.3 Ų52.30%025%0.246CC..Iπ-helixtrans-76.2-44-168.7-67.6-1.5000112.7G93 I94 V117 T125 S171 I175G93-N121 WeakPolarHBondContact CA-OD1 3.36Å; I94-N121 PolarHBondContact N-OD1 3.35Å; I94-N121 PolarHBondContact O-ND2 3.28Å; I94-N121 PolarHBondContact O-OD1 3.11Å; V117-N121 VanDerWaalsContact O-CB 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.36Å; V117-N121 PolarHBondContact O-N 3.11Å; N121-T125 VanDerWaalsContact O-CB 3.3Å; N121-T125 WeakPolarHBondContact O-CB 3.21Å; N121-T125 PolarHBondContact O-OG1 2.82Å; N121-S171 WeakPolarHBondContact CB-OG 3.22Å; N121-S171 PolarHBondContact ND2-OG 2.96Å; N121-I175 WeakPolarHBondContact O-CD1 3.49Å
122L98.9Very high98.7Very high34 Ų3446 Ų4618%0.17821%0.213CC..Iπ-helixtrans-96.3-57-173.1179.160.4000111.1L118 G124 T125 F126 I175 M178L118-L122 WeakPolarHBondContact O-CA 3.36Å; L118-L122 VanDerWaalsContact O-CB 3.31Å; L118-L122 WeakPolarHBondContact O-CB 3.38Å; L118-L122 PolarHBondContact O-N 3.08Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.81Å; L122-T125 PolarHBondContact O-N 3.44Å; L122-F126 PolarHBondContact O-N 2.84Å; L122-I175 HydrophobicContact CD1-CG1 4.05Å; L122-M178 HydrophobicContact CD1-CE 4.17Å; L122-M178 HydrophobicContact CD1-SD 3.84Å
123M98.9Very high98.7Very high102 Ų10239 Ų3950%0.50218%0.182SC..Iπ-helixtrans-66.2-39.2-178.2-56.5-58.6-63.100111.3L118 N119 F126 N127L118-M123 PolarHBondContact O-N 2.86Å; N119-M123 CarbonylContact O-C 3.42Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 3.26Å; M123-F126 PolarHBondContact O-N 2.96Å; M123-N127 VanDerWaalsContact O-CB 3.26Å; M123-N127 WeakPolarHBondContact O-CB 3.26Å; M123-N127 PolarHBondContact O-N 2.88Å
124G98.9Very high98.8Very high1 Ų139 Ų391%0.0119%0.191CC..Hα-helixtrans-62.3-44.8174.700000112.8V65 N119 V120 L122 F126 N127 V128V65-G124 WeakPolarHBondContact O-CA 3.44Å; N119-G124 PolarHBondContact O-N 3.16Å; V120-G124 WeakPolarHBondContact O-CA 3.41Å; V120-G124 PolarHBondContact O-N 3Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.81Å; G124-F126 PolarHBondContact O-N 3.12Å; G124-N127 WeakPolarHBondContact O-CB 3.5Å; G124-N127 PolarHBondContact O-N 2.65Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.9Å
125T98.9Very high98.7Very high4 Ų436.5 Ų36.53%0.02518%0.18CC..Hα-helixtrans-58.6-49.1173.1-64.30000110.8N90 N121 L122 N127 V128 I129 N152 M178N90-T125 HydrophobicContact CB-CG2 3.89Å; N121-T125 VanDerWaalsContact O-CB 3.3Å; N121-T125 WeakPolarHBondContact O-CB 3.21Å; N121-T125 PolarHBondContact O-OG1 2.82Å; L122-T125 PolarHBondContact O-N 3.44Å; T125-N127 VanDerWaalsContact C-N 3.34Å; T125-N127 PolarHBondContact O-N 2.78Å; T125-V128 PolarHBondContact O-N 3.13Å; T125-I129 HydrophobicContact CG2-CD1 3.84Å; T125-I129 HydrophobicContact CG2-CG1 4.42Å; T125-I129 VanDerWaalsContact O-CG1 3.23Å; T125-I129 WeakPolarHBondContact O-CG1 3.36Å; T125-I129 PolarHBondContact O-N 3.36Å; T125-N152 HydrophobicContact CG2-CB 4.32Å; T125-M178 HydrophobicContact CG2-CE 3.41Å; T125-M178 VanDerWaalsContact CG2-CE 3.41Å
126F98.9Very high98.7Very high89 Ų8932.2 Ų32.239%0.3916%0.16SC..Hα-helixtrans-63.3-38.1178.7-177.4-104.6000112.9L122 M123 G124 V128 I129 R130 M178 I182L122-F126 PolarHBondContact O-N 2.84Å; M123-F126 PolarHBondContact O-N 2.96Å; G124-F126 PolarHBondContact O-N 3.12Å; F126-V128 VanDerWaalsContact C-N 3.33Å; F126-V128 PolarHBondContact O-N 3.49Å; F126-I129 PolarHBondContact O-N 3.31Å; F126-R130 PolarHBondContact O-N 3.06Å; F126-M178 HydrophobicContact CB-SD 4.36Å; F126-M178 HydrophobicContact CD2-SD 4.35Å; F126-I182 HydrophobicContact CD2-CD1 4.1Å; F126-I182 HydrophobicContact CE2-CD1 4.28Å
127N98.9Very high98.7Very high12 Ų1227.2 Ų27.26%0.06415%0.147CC..Hα-helixtrans-60-43.4176.3-174.843.2000111.5V65 S67 M123 G124 T125 R130 L131V65-N127 WeakPolarHBondContact O-CB 3.34Å; V65-N127 PolarHBondContact O-ND2 3Å; S67-N127 PolarHBondContact O-ND2 3.3Å; M123-N127 VanDerWaalsContact O-CB 3.26Å; M123-N127 WeakPolarHBondContact O-CB 3.26Å; M123-N127 PolarHBondContact O-N 2.88Å; G124-N127 WeakPolarHBondContact O-CB 3.5Å; G124-N127 PolarHBondContact O-N 2.65Å; T125-N127 VanDerWaalsContact C-N 3.34Å; T125-N127 PolarHBondContact O-N 2.78Å; N127-R130 WeakPolarHBondContact O-CG 3.32Å; N127-R130 VanDerWaalsContact OD1-CZ 3.31Å; N127-R130 PolarHBondContact OD1-NE 3.48Å; N127-R130 PolarHBondContact OD1-NH2 3.2Å; N127-L131 VanDerWaalsContact O-CG 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.43Å; N127-L131 PolarHBondContact O-N 3.36Å
128V98.9Very high98.7Very high0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-66.7-45.2175.2177.30000110.9L14 T16 V65 V71 N90 G124 T125 F126 R130 L131 V132L14-V128 HydrophobicContact CD2-CG1 4.23Å; T16-V128 HydrophobicContact CG2-CG1 4.02Å; T16-V128 HydrophobicContact CG2-CG2 3.94Å; V65-V128 HydrophobicContact CB-CG2 4.2Å; V65-V128 HydrophobicContact CG1-CG2 4.02Å; V71-V128 HydrophobicContact CG1-CB 4.49Å; V71-V128 HydrophobicContact CG1-CG2 4.06Å; V71-V128 HydrophobicContact CG2-CG2 3.97Å; N90-V128 WeakPolarHBondContact OD1-CB 3.24Å; N90-V128 VanDerWaalsContact OD1-CG1 3.24Å; N90-V128 WeakPolarHBondContact OD1-CG1 3.46Å; G124-V128 WeakPolarHBondContact O-CG2 3.41Å; G124-V128 PolarHBondContact O-N 2.9Å; T125-V128 PolarHBondContact O-N 3.13Å; F126-V128 VanDerWaalsContact C-N 3.33Å; F126-V128 PolarHBondContact O-N 3.49Å; V128-R130 PolarHBondContact O-N 3.15Å; V128-L131 PolarHBondContact O-N 3.28Å; V128-V132 WeakPolarHBondContact O-CB 3.38Å; V128-V132 VanDerWaalsContact O-CG1 3.26Å; V128-V132 WeakPolarHBondContact O-CG1 3.48Å; V128-V132 PolarHBondContact O-N 2.97Å
129I98.9Very high98.7Very high3 Ų332.2 Ų32.22%0.01517%0.17CC..Hα-helixtrans-55.4-54.4179-70.3171.4000111.6T125 F126 L131 V132 A133 I150 M178 I182T125-I129 HydrophobicContact CG2-CD1 3.84Å; T125-I129 HydrophobicContact CG2-CG1 4.42Å; T125-I129 VanDerWaalsContact O-CG1 3.23Å; T125-I129 WeakPolarHBondContact O-CG1 3.36Å; T125-I129 PolarHBondContact O-N 3.36Å; F126-I129 PolarHBondContact O-N 3.31Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 2.84Å; I129-V132 PolarHBondContact O-N 3.47Å; I129-A133 VanDerWaalsContact O-CB 3.27Å; I129-A133 WeakPolarHBondContact O-CB 3.4Å; I129-A133 PolarHBondContact O-N 3.01Å; I129-I150 HydrophobicContact CD1-CG2 4.44Å; I129-I150 HydrophobicContact CG1-CG2 3.88Å; I129-I150 HydrophobicContact CG2-CD1 3.98Å; I129-M178 HydrophobicContact CD1-CE 3.7Å; I129-I182 HydrophobicContact CD1-CD1 4.06Å; I129-I182 HydrophobicContact CG2-CD1 4.28Å; I129-I182 HydrophobicContact CG2-CG2 3.8Å
130R98.8Very high98.6Very high99 Ų9936.1 Ų36.137%0.37419%0.186SC..Hα-helixtrans-64-34.7-172.971.7-178179.989.6-0.8112.2E68 F126 N127 V128E68-R130 VanDerWaalsContact CD-NH2 3.29Å; E68-R130 IonicContact OE1-CZ 3.53Å; E68-R130 IonicContact OE1-NH1 3.18Å; E68-R130 PolarHBondContact OE1-NH1 3.27Å; E68-R130 IonicContact OE1-NH2 2.75Å; E68-R130 PolarHBondContact OE1-NH2 3.14Å; F126-R130 PolarHBondContact O-N 3.06Å; N127-R130 WeakPolarHBondContact O-CG 3.32Å; N127-R130 VanDerWaalsContact OD1-CZ 3.31Å; N127-R130 PolarHBondContact OD1-NE 3.48Å; N127-R130 PolarHBondContact OD1-NH2 3.2Å; V128-R130 PolarHBondContact O-N 3.15Å
131L98.9Very high98.5Very high21 Ų2137.1 Ų37.111%0.1119%0.193CC..Hα-helixtrans-79-44.2-179.2-64.1174.8000111E68 V71 L75 N127 V128 I129 A133 G134 E135E68-L131 HydrophobicContact CG-CD1 4.26Å; V71-L131 HydrophobicContact CB-CD1 3.78Å; V71-L131 HydrophobicContact CG1-CB 4.32Å; V71-L131 HydrophobicContact CG1-CD1 3.62Å; L75-L131 HydrophobicContact CD1-CB 3.58Å; N127-L131 VanDerWaalsContact O-CG 3.32Å; N127-L131 WeakPolarHBondContact O-CG 3.43Å; N127-L131 PolarHBondContact O-N 3.36Å; V128-L131 PolarHBondContact O-N 3.28Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 2.84Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.11Å; L131-G134 PolarHBondContact O-N 3.22Å; L131-E135 PolarHBondContact O-N 3.4Å
132V98.8Very high98.3Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-69.4-28.9179.479.90000112.5L75 V85 A88 V128 I129 G134 E135 M136 I150L75-V132 HydrophobicContact CD2-CB 4.11Å; L75-V132 HydrophobicContact CD2-CG2 3.8Å; V85-V132 HydrophobicContact CB-CG2 4.39Å; V85-V132 HydrophobicContact CG1-CG2 3.65Å; A88-V132 HydrophobicContact CB-CB 4.39Å; A88-V132 HydrophobicContact CB-CG1 3.75Å; A88-V132 HydrophobicContact CB-CG2 4.03Å; V128-V132 WeakPolarHBondContact O-CB 3.38Å; V128-V132 VanDerWaalsContact O-CG1 3.26Å; V128-V132 WeakPolarHBondContact O-CG1 3.48Å; V128-V132 PolarHBondContact O-N 2.97Å; I129-V132 PolarHBondContact O-N 3.47Å; V132-G134 VanDerWaalsContact C-N 3.29Å; V132-G134 PolarHBondContact O-N 2.82Å; V132-E135 PolarHBondContact O-N 2.92Å; V132-M136 HydrophobicContact CG1-CE 4.48Å; V132-M136 HydrophobicContact CG2-CE 3.92Å; V132-M136 HydrophobicContact CG2-CG 4.34Å; V132-M136 HydrophobicContact CG2-SD 4.45Å; V132-M136 WeakPolarHBondContact O-CB 3.46Å; V132-M136 WeakPolarHBondContact O-CG 3.42Å; V132-M136 PolarHBondContact O-N 3.19Å; V132-I150 HydrophobicContact CG1-CD1 3.86Å; V132-I150 HydrophobicContact CG1-CG1 4.21Å
133A98.8Very high97.9Very high7 Ų746.9 Ų46.96%0.05824%0.24CC..Hα-helixtrans-60.8-38.917400000112.1I129 L131 G137 L186 M189 I191I129-A133 VanDerWaalsContact O-CB 3.27Å; I129-A133 WeakPolarHBondContact O-CB 3.4Å; I129-A133 PolarHBondContact O-N 3.01Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.11Å; A133-G137 PolarHBondContact O-N 3.42Å; A133-L186 HydrophobicContact CB-CD1 3.88Å; A133-L186 HydrophobicContact CB-CD2 3.9Å; A133-M189 WeakPolarHBondContact O-CE 3.27Å; A133-I191 HydrophobicContact CB-CD1 4.5Å
134G98.1Very high97.6Very high39 Ų3945.6 Ų45.640%0.40225%0.253SS..Hα-helixtrans-67.4-36.1174.400000113.2L131 V132 Q138L131-G134 PolarHBondContact O-N 3.22Å; V132-G134 VanDerWaalsContact C-N 3.29Å; V132-G134 PolarHBondContact O-N 2.82Å; G134-Q138 PolarHBondContact O-NE2 3.44Å
135E98.3Very high97.5Very high12 Ų1247.3 Ų47.36%0.05627%0.271CS..Hα-helixtrans-69.7-48.5174.7-167.368.3-168.400111.2L75 R79 V85 L131 V132 G137 Q138L75-E135 HydrophobicContact CD2-CB 4.48Å; R79-E135 WeakPolarHBondContact CD-OE1 3.19Å; R79-E135 IonicContact NH1-OE1 2.79Å; R79-E135 PolarHBondContact NH1-OE1 2.86Å; R79-E135 IonicContact NH1-OE2 3.17Å; R79-E135 PolarHBondContact NH1-OE2 2.82Å; V85-E135 HydrophobicContact CB-CG 4.16Å; V85-E135 HydrophobicContact CG2-CG 3.99Å; L131-E135 PolarHBondContact O-N 3.4Å; V132-E135 PolarHBondContact O-N 2.92Å; E135-G137 PolarHBondContact O-N 3.18Å; E135-Q138 WeakPolarHBondContact O-CB 3.39Å; E135-Q138 PolarHBondContact O-N 3.29Å; E135-Q138 VanDerWaalsContact O-N 3.1Å
136M98.8Very high97.5Very high0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-59.6-36175.5-73.4175.2176.600111.8V85 A88 V132 Q138 N139 R147 V149 I150 I191V85-M136 HydrophobicContact CG1-CE 4.25Å; V85-M136 WeakPolarHBondContact O-CG 3.39Å; A88-M136 HydrophobicContact CB-CE 3.92Å; V132-M136 HydrophobicContact CG1-CE 4.48Å; V132-M136 HydrophobicContact CG2-CE 3.92Å; V132-M136 HydrophobicContact CG2-CG 4.34Å; V132-M136 HydrophobicContact CG2-SD 4.45Å; V132-M136 WeakPolarHBondContact O-CB 3.46Å; V132-M136 WeakPolarHBondContact O-CG 3.42Å; V132-M136 PolarHBondContact O-N 3.19Å; M136-Q138 PolarHBondContact O-N 3.35Å; M136-Q138 VanDerWaalsContact O-N 3.13Å; M136-N139 VanDerWaalsContact O-CB 3.27Å; M136-N139 WeakPolarHBondContact O-CB 3.46Å; M136-N139 PolarHBondContact O-N 3.43Å; M136-R147 WeakPolarHBondContact O-CB 3.31Å; M136-V149 WeakPolarHBondContact CE-O 3.32Å; M136-I150 HydrophobicContact CE-CG1 4.2Å; M136-I150 HydrophobicContact SD-CG1 4.02Å; M136-I191 HydrophobicContact CB-CD1 3.62Å; M136-I191 HydrophobicContact CB-CG1 4.08Å; M136-I191 HydrophobicContact SD-CG2 3.91Å
137G98.4Very high97.4Very high19 Ų1947 Ų4720%0.19627%0.267CS..THydrogen-bonded Turntrans-58-24176.800000114.4A133 E135 R147 M189A133-G137 PolarHBondContact O-N 3.42Å; E135-G137 PolarHBondContact O-N 3.18Å; G137-R147 PolarHBondContact O-NH1 3.1Å; G137-R147 VanDerWaalsContact O-NH1 3.12Å; G137-M189 VanDerWaalsContact CA-CE 3.45Å
138Q97.8Very high97.4Very high128 Ų12846.4 Ų46.460%0.59826%0.264SS*.THydrogen-bonded Turntrans-82.4-14.6177.7-63.6166.954.800113.1G134 E135 M136G134-Q138 PolarHBondContact O-NE2 3.44Å; E135-Q138 WeakPolarHBondContact O-CB 3.39Å; E135-Q138 PolarHBondContact O-N 3.29Å; E135-Q138 VanDerWaalsContact O-N 3.1Å; M136-Q138 PolarHBondContact O-N 3.35Å; M136-Q138 VanDerWaalsContact O-N 3.13Å
139N98.1Very high97.4Very high11 Ų1146.4 Ų46.46%0.05926%0.264CS..SBendtrans-67.2137.9177.1-67.6-23.2000110.6R84 V85 M136 R147R84-N139 WeakPolarHBondContact CB-OD1 3.24Å; V85-N139 PolarHBondContact O-ND2 3.5Å; M136-N139 VanDerWaalsContact O-CB 3.27Å; M136-N139 WeakPolarHBondContact O-CB 3.46Å; M136-N139 PolarHBondContact O-N 3.43Å; N139-R147 HydrophobicContact CB-CB 4.31Å; N139-R147 PolarHBondContact ND2-O 2.91Å; N139-R147 VanDerWaalsContact O-CD 3.29Å; N139-R147 WeakPolarHBondContact O-CD 3.35Å; N139-R147 WeakPolarHBondContact O-CG 3.45Å; N139-R147 PolarHBondContact O-NH1 2.98Å
140E97.1Very high97.4Very high146 Ų14646.3 Ų46.368%0.68226%0.263SS*.PPolyproline II helixtrans-57.2133.1163.5-70.8-58.4144.100110.1
141P96.6Very high97.4Very high52 Ų5241.6 Ų41.634%0.33825%0.246SC..PPolyproline II helixtrans-65.6142.4178.928.2-31.4000109.9R147P141-R147 HydrophobicContact CB-CG 4.07Å
142D94.3Very high97.4Very high63 Ų6340.6 Ų40.634%0.33724%0.24SC..  trans-69.9-177.8170.172.221.2000111.5G144 G145 Q146D142-G144 PolarHBondContact O-N 3.44Å; D142-G144 VanDerWaalsContact O-N 3.1Å; D142-G144 WeakPolarHBondContact OD1-CA 3.4Å; D142-G144 PolarHBondContact OD1-N 2.99Å; D142-G145 PolarHBondContact O-N 2.71Å; D142-G145 PolarHBondContact OD1-N 2.94Å; D142-Q146 PolarHBondContact N-O 2.85Å; D142-Q146 WeakPolarHBondContact OD1-CB 3.38Å; D142-Q146 PolarHBondContact OD1-N 3.07Å; D142-Q146 PolarHBondContact OD2-NE2 3.24Å
143Q91.4Very high97.4Very high177 Ų17741 Ų4183%0.82724%0.243SC*.THydrogen-bonded Turntrans-61.4-21.4-177.9-61-176.311.600113.6
144G92.9Very high97.4Very high75 Ų7540.8 Ų40.877%0.77324%0.241SC*.THydrogen-bonded Turntrans-92.65.9174.600000113.7D142 Q146D142-G144 PolarHBondContact O-N 3.44Å; D142-G144 VanDerWaalsContact O-N 3.1Å; D142-G144 WeakPolarHBondContact OD1-CA 3.4Å; D142-G144 PolarHBondContact OD1-N 2.99Å; G144-Q146 VanDerWaalsContact C-N 3.3Å
145G96.3Very high97.5Very high37 Ų3739.5 Ų39.538%0.38123%0.226SC..SBendtrans82.63.3-176.500000113.9D142D142-G145 PolarHBondContact O-N 2.71Å; D142-G145 PolarHBondContact OD1-N 2.94Å
146Q97.8Very high97.5Very high17 Ų1739.1 Ų39.18%0.07923%0.225CC..  trans-85.5134-171.5-172.6-171.6-110.400111.3D142 G144 G190D142-Q146 PolarHBondContact N-O 2.85Å; D142-Q146 WeakPolarHBondContact OD1-CB 3.38Å; D142-Q146 PolarHBondContact OD1-N 3.07Å; D142-Q146 PolarHBondContact OD2-NE2 3.24Å; G144-Q146 VanDerWaalsContact C-N 3.3Å; Q146-G190 CarbonylContact C-O 3.51Å; Q146-G190 VanDerWaalsContact CA-O 3.24Å; Q146-G190 WeakPolarHBondContact CA-O 3.45Å; Q146-G190 WeakPolarHBondContact CG-O 3.33Å
147R98.5Very high97.4Very high69 Ų6939.3 Ų39.326%0.2623%0.226SC..  trans-107.2-22.9176.7-64.4-171.9-172.5-115.6-1113.6M136 G137 N139 P141 M189 G190 I191M136-R147 WeakPolarHBondContact O-CB 3.31Å; G137-R147 PolarHBondContact O-NH1 3.1Å; G137-R147 VanDerWaalsContact O-NH1 3.12Å; N139-R147 HydrophobicContact CB-CB 4.31Å; N139-R147 PolarHBondContact ND2-O 2.91Å; N139-R147 VanDerWaalsContact O-CD 3.29Å; N139-R147 WeakPolarHBondContact O-CD 3.35Å; N139-R147 WeakPolarHBondContact O-CG 3.45Å; N139-R147 PolarHBondContact O-NH1 2.98Å; P141-R147 HydrophobicContact CB-CG 4.07Å; R147-M189 WeakPolarHBondContact CD-O 3.32Å; R147-M189 VanDerWaalsContact CG-O 3.27Å; R147-M189 WeakPolarHBondContact CG-O 3.42Å; R147-G190 PolarHBondContact N-O 3.2Å; R147-I191 HydrophobicContact CB-CG1 4.24Å
148G98.4Very high97.4Very high0 Ų039.6 Ų39.60%023%0.226CC..EExtended strand (participates in β ladder)trans-174.3175.6178.600000114.5D86 I191 R192D86-G148 CarbonylContact O-C 3.33Å; D86-G148 VanDerWaalsContact O-CA 3.24Å; D86-G148 WeakPolarHBondContact O-CA 3.43Å; G148-I191 WeakPolarHBondContact O-CA 3.49Å; G148-R192 PolarHBondContact O-N 3.36Å; G148-R192 VanDerWaalsContact O-N 3.11Å
149V98.9Very high97.4Very high0 Ų037.9 Ų37.90%022%0.217CC..EExtended strand (participates in β ladder)trans-141.2133.2173.661.60000110.8D86 V87 A88 M136 I151 R192 I240 I241D86-V149 PolarHBondContact O-N 3.24Å; V87-V149 WeakPolarHBondContact CA-O 3.35Å; V87-V149 HydrophobicContact CB-CG1 4.29Å; V87-V149 HydrophobicContact CG1-CG1 4.12Å; V87-V149 HydrophobicContact CG2-CG1 3.82Å; A88-V149 PolarHBondContact N-O 3.22Å; M136-V149 WeakPolarHBondContact CE-O 3.32Å; V149-I151 HydrophobicContact CG2-CD1 4.44Å; V149-I151 HydrophobicContact CG2-CG1 4.08Å; V149-R192 WeakPolarHBondContact CA-O 3.4Å; V149-R192 HydrophobicContact CB-CB 4.46Å; V149-R192 HydrophobicContact CG2-CB 4.07Å; V149-I240 HydrophobicContact CG2-CG2 4.36Å; V149-I241 HydrophobicContact CG1-CG1 4Å; V149-I241 HydrophobicContact CG1-CG2 4.48Å
150I98.9Very high97.4Very high0 Ų039.7 Ų39.70%023%0.225CC..EExtended strand (participates in β ladder)trans-110.5129.4176.4-59.6-179.1000107.9A88 I129 V132 M136 L186 I191 R192 V193 M194A88-I150 HydrophobicContact CB-CG1 4.33Å; A88-I150 CarbonylContact O-C 3.57Å; A88-I150 WeakPolarHBondContact O-CA 3.39Å; I129-I150 HydrophobicContact CD1-CG2 4.44Å; I129-I150 HydrophobicContact CG1-CG2 3.88Å; I129-I150 HydrophobicContact CG2-CD1 3.98Å; V132-I150 HydrophobicContact CG1-CD1 3.86Å; V132-I150 HydrophobicContact CG1-CG1 4.21Å; M136-I150 HydrophobicContact CE-CG1 4.2Å; M136-I150 HydrophobicContact SD-CG1 4.02Å; I150-L186 HydrophobicContact CD1-CD1 4.03Å; I150-I191 HydrophobicContact CD1-CG2 4.16Å; I150-I191 HydrophobicContact CG1-CG2 4.1Å; I150-R192 PolarHBondContact N-O 3.31Å; I150-V193 HydrophobicContact CB-CG1 4.5Å; I150-V193 HydrophobicContact CB-CG2 4.32Å; I150-V193 HydrophobicContact CG2-CG1 4.44Å; I150-V193 CarbonylContact O-C 3.5Å; I150-V193 WeakPolarHBondContact O-CA 3.37Å; I150-M194 PolarHBondContact O-N 2.98Å
151I99Very high97.4Very high0 Ų034.6 Ų34.60%021%0.212CC..EExtended strand (participates in β ladder)trans-124.5119.5178.9-57.7170000108.4A88 V89 N90 V149 M194 I196 V237 I240 I241A88-I151 PolarHBondContact O-N 3.47Å; V89-I151 CarbonylContact C-O 3.55Å; V89-I151 VanDerWaalsContact CA-O 3.31Å; V89-I151 WeakPolarHBondContact CA-O 3.33Å; V89-I151 HydrophobicContact CG1-CB 4.41Å; N90-I151 PolarHBondContact N-O 2.88Å; V149-I151 HydrophobicContact CG2-CD1 4.44Å; V149-I151 HydrophobicContact CG2-CG1 4.08Å; I151-M194 CarbonylContact C-O 3.58Å; I151-M194 WeakPolarHBondContact CA-O 3.43Å; I151-M194 HydrophobicContact CG1-CB 4.45Å; I151-I196 HydrophobicContact CG2-CD1 3.94Å; I151-I196 HydrophobicContact CG2-CG1 4.16Å; I151-V237 HydrophobicContact CD1-CB 4.49Å; I151-V237 HydrophobicContact CD1-CG1 3.83Å; I151-V237 HydrophobicContact CG2-CG2 4.37Å; I151-I240 HydrophobicContact CD1-CB 3.92Å; I151-I240 HydrophobicContact CD1-CG2 3.66Å; I151-I240 HydrophobicContact CG1-CG2 3.84Å; I151-I240 HydrophobicContact CG2-CD1 4.38Å; I151-I241 HydrophobicContact CD1-CD1 4.44Å; I151-I241 HydrophobicContact CD1-CG1 3.84Å
152N98.9Very high97.3Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-103152-179.4-46.9-55.6000111.7N90 T125 I175 M194 T195 I196N90-N152 PolarHBondContact ND2-OD1 3.39Å; T125-N152 HydrophobicContact CG2-CB 4.32Å; N152-I175 HydrophobicContact CB-CG2 3.62Å; N152-M194 PolarHBondContact N-O 3.09Å; N152-M194 PolarHBondContact ND2-O 3.11Å; N152-T195 HydrophobicContact CB-CG2 4.42Å; N152-T195 WeakPolarHBondContact CB-OG1 3.16Å; N152-T195 PolarHBondContact ND2-OG1 3.16Å; N152-T195 CarbonylContact O-C 3.59Å; N152-T195 WeakPolarHBondContact O-CA 3.43Å; N152-I196 PolarHBondContact O-N 3.05Å
153T98.9Very high97.4Very high10 Ų1036.2 Ų36.26%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-105.5102.5173.6-500000110.7L22 N90 C91 K172 I175 P198 Y233L22-T153 HydrophobicContact CD1-CG2 4.19Å; N90-T153 WeakPolarHBondContact O-CB 3.44Å; N90-T153 PolarHBondContact O-N 2.98Å; N90-T153 PolarHBondContact O-OG1 3.18Å; C91-T153 PolarHBondContact SG-OG1 3.2Å; T153-K172 PolarHBondContact O-NZ 3.44Å; T153-I175 WeakPolarHBondContact O-CD1 3.18Å; T153-P198 HydrophobicContact CG2-CG 3.72Å; T153-Y233 HydrophobicContact CG2-CE2 4.07Å; T153-Y233 PolarHBondContact OG1-OH 2.77Å
154A98.7Very high97.6Very high1 Ų128.4 Ų28.41%0.00819%0.186CC..  trans-80.5-139.3166.700000110.4I175 V176 T195 I196 A197A154-I175 HydrophobicContact CB-CB 4.46Å; A154-I175 HydrophobicContact CB-CG2 4.25Å; A154-V176 HydrophobicContact CB-CG2 3.9Å; A154-T195 HydrophobicContact CB-CG2 3.43Å; A154-T195 VanDerWaalsContact CB-CG2 3.43Å; A154-I196 PolarHBondContact N-O 3.3Å; A154-A197 HydrophobicContact CB-CB 4.28Å
155S98.6Very high97.8Very high12 Ų1226.8 Ų26.88%0.08416%0.158CC..  trans-167.5156.5172.5177.60000108.6A157 A158S155-A157 PolarHBondContact O-N 3.36Å; S155-A157 VanDerWaalsContact O-N 3.16Å; S155-A157 PolarHBondContact OG-N 2.81Å; S155-A157 VanDerWaalsContact OG-N 3.11Å; S155-A158 WeakPolarHBondContact O-CB 3.4Å; S155-A158 PolarHBondContact O-N 2.81Å
156V98.4Very high97.9Very high5 Ų526.9 Ų26.93%0.0316%0.155CC..G310 helixtrans-56.3-23.6164.8-62.90000112.8A158 F159 E160 P198 R252 D254 M259V156-A158 PolarHBondContact O-N 2.75Å; V156-A158 VanDerWaalsContact O-N 3.14Å; V156-F159 PolarHBondContact O-N 3.39Å; V156-E160 PolarHBondContact O-N 3.2Å; V156-P198 PolarHBondContact N-O 3.26Å; V156-R252 VanDerWaalsContact CG1-NH2 3.28Å; V156-D254 HydrophobicContact CG1-CB 3.64Å; V156-D254 WeakPolarHBondContact CG1-OD2 3.3Å; V156-M259 HydrophobicContact CG2-CG 3.87Å; V156-M259 HydrophobicContact CG2-SD 4.24Å
157A97.6Very high98Very high3 Ų326 Ų263%0.02515%0.151CC..G310 helixtrans-62.2-17.4172.500000113.5S155 F159 G161 Y168 S169S155-A157 PolarHBondContact O-N 3.36Å; S155-A157 VanDerWaalsContact O-N 3.16Å; S155-A157 PolarHBondContact OG-N 2.81Å; S155-A157 VanDerWaalsContact OG-N 3.11Å; A157-F159 PolarHBondContact O-N 2.87Å; A157-G161 PolarHBondContact O-N 3.28Å; A157-Y168 HydrophobicContact CB-CD1 3.7Å; A157-Y168 HydrophobicContact CB-CE1 3.83Å; A157-S169 WeakPolarHBondContact O-CB 3.49Å; A157-S169 PolarHBondContact O-OG 3.38Å; A157-S169 VanDerWaalsContact O-OG 3.14Å
158A98.4Very high98Very high25 Ų2524.7 Ų24.721%0.20715%0.146CC..G310 helixtrans-64.7-21.2170.700000112.8S155 V156 K172 V176S155-A158 WeakPolarHBondContact O-CB 3.4Å; S155-A158 PolarHBondContact O-N 2.81Å; V156-A158 PolarHBondContact O-N 2.75Å; V156-A158 VanDerWaalsContact O-N 3.14Å; A158-K172 HydrophobicContact CB-CB 4.05Å; A158-V176 HydrophobicContact CB-CG2 3.78Å
159F98.4Very high98Very high92 Ų9225.9 Ų25.940%0.40416%0.155SC..THydrogen-bonded Turntrans-115.1-43-176.2-47.4-69.8000111.7V156 A157 V176 A197 V250 R252V156-F159 PolarHBondContact O-N 3.39Å; A157-F159 PolarHBondContact O-N 2.87Å; F159-V176 HydrophobicContact CE1-CG1 4.2Å; F159-V176 HydrophobicContact CE1-CG2 4.29Å; F159-V176 HydrophobicContact CZ-CG2 3.98Å; F159-A197 HydrophobicContact CE2-CB 3.77Å; F159-V250 HydrophobicContact CE2-CG1 4.42Å; F159-V250 HydrophobicContact CZ-CG1 3.91Å; F159-R252 HydrophobicContact CE2-CG 4.14Å
160E98.1Very high98Very high49 Ų4928 Ų2823%0.22917%0.172CC..SBendtrans-126.762.7-178.9-53.589.4-156.100111.4V156 Q162 R252 R258 M259V156-E160 PolarHBondContact O-N 3.2Å; E160-Q162 PolarHBondContact O-N 3.02Å; E160-R252 IonicContact OE1-CZ 3.6Å; E160-R252 IonicContact OE1-NH1 3.74Å; E160-R252 PolarHBondContact OE1-NH1 2.81Å; E160-R252 IonicContact OE1-NH2 2.73Å; E160-R252 IonicContact OE2-CZ 3.61Å; E160-R252 VanDerWaalsContact OE2-CZ 3.22Å; E160-R252 IonicContact OE2-NH1 2.99Å; E160-R252 PolarHBondContact OE2-NH1 3.29Å; E160-R252 IonicContact OE2-NH2 3.18Å; E160-R252 PolarHBondContact OE2-NH2 3.14Å; E160-R258 IonicContact OE1-NE 2.74Å; E160-M259 HydrophobicContact CB-CB 4.05Å; E160-M259 VanDerWaalsContact O-CB 3.32Å; E160-M259 WeakPolarHBondContact O-CB 3.22Å
161G95.8Very high98Very high40 Ų4028 Ų2841%0.41217%0.172SC..PPolyproline II helixtrans-61.7129.2175.900000112.9A157 S169A157-G161 PolarHBondContact O-N 3.28Å; G161-S169 VanDerWaalsContact CA-OG 3.32Å; G161-S169 WeakPolarHBondContact CA-OG 3.43Å
162Q95.4Very high97.9Very high60 Ų6028.3 Ų28.328%0.2817%0.173SC..PPolyproline II helixtrans-79.7170.4177.3-54.3-169.9-87.400112.6E160 G164 Q165 M259 Q260E160-Q162 PolarHBondContact O-N 3.02Å; Q162-G164 PolarHBondContact O-N 2.86Å; Q162-G164 VanDerWaalsContact O-N 3.16Å; Q162-Q165 HydrophobicContact CB-CG 4.21Å; Q162-Q165 VanDerWaalsContact CB-OE1 3.26Å; Q162-Q165 WeakPolarHBondContact O-CB 3.15Å; Q162-Q165 PolarHBondContact O-N 3.17Å; Q162-M259 HydrophobicContact CG-CB 3.83Å; Q162-M259 HydrophobicContact CG-CE 4.07Å; Q162-Q260 WeakPolarHBondContact CG-O 3.22Å; Q162-Q260 PolarHBondContact NE2-O 3.24Å
163V96.7Very high97.9Very high89 Ų8929.5 Ų29.554%0.53919%0.186SC..THydrogen-bonded Turntrans-55.6123.5175172.70000110.7K99 P261K99-V163 HydrophobicContact CD-CG1 4.2Å; K99-V163 HydrophobicContact CG-CG1 4.05Å; V163-P261 VanDerWaalsContact CB-OXT 3.32Å; V163-P261 WeakPolarHBondContact CB-OXT 3.39Å; V163-P261 HydrophobicContact CG2-CB 4.28Å; V163-P261 WeakPolarHBondContact CG2-OXT 3.42Å; V163-P261 PolarHBondContact N-OXT 2.58Å
164G95.4Very high97.9Very high12 Ų1230.1 Ų30.112%0.12419%0.194CC..THydrogen-bonded Turntrans90.41.9179.800000115A97 M98 Q162A97-G164 WeakPolarHBondContact CA-O 3.22Å; M98-G164 CarbonylContact C-O 3.58Å; M98-G164 PolarHBondContact N-O 3.16Å; M98-G164 CarbonylContact O-C 3.56Å; M98-G164 VanDerWaalsContact O-CA 3.23Å; M98-G164 WeakPolarHBondContact O-CA 3.41Å; M98-G164 VanDerWaalsContact O-O 3.04Å; Q162-G164 PolarHBondContact O-N 2.86Å; Q162-G164 VanDerWaalsContact O-N 3.16Å
165Q97.5Very high97.9Very high42 Ų4230.1 Ų30.120%0.19619%0.194CC..  trans-97.923.1178.8-61.1-168.6-61.300113.5Q162 A167 Y168 S169Q162-Q165 HydrophobicContact CB-CG 4.21Å; Q162-Q165 VanDerWaalsContact CB-OE1 3.26Å; Q162-Q165 WeakPolarHBondContact O-CB 3.15Å; Q162-Q165 PolarHBondContact O-N 3.17Å; Q165-A167 PolarHBondContact O-N 2.97Å; Q165-Y168 PolarHBondContact O-N 2.91Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 3.01Å; Q165-S169 PolarHBondContact O-OG 2.63Å
166A98.4Very high98Very high38 Ų3831.2 Ų31.231%0.31420%0.2SC..Hα-helixtrans-56.5-51.3-175.300000112.7A170A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.26Å; A166-A170 PolarHBondContact O-N 3.44Å
167A98.3Very high98Very high0 Ų033.5 Ų33.50%023%0.225CC..Hα-helixtrans-63.3-43.817800000112.6V96 F114 V117 Q165 S171V96-A167 HydrophobicContact CG2-CB 4.2Å; F114-A167 HydrophobicContact CB-CB 4.42Å; F114-A167 HydrophobicContact CD2-CB 3.57Å; F114-A167 HydrophobicContact CE2-CB 4.11Å; F114-A167 HydrophobicContact CG-CB 4.2Å; V117-A167 HydrophobicContact CB-CB 4Å; V117-A167 HydrophobicContact CG1-CB 4.11Å; V117-A167 HydrophobicContact CG2-CB 4.18Å; Q165-A167 PolarHBondContact O-N 2.97Å; A167-S171 WeakPolarHBondContact O-CB 3.5Å; A167-S171 PolarHBondContact O-N 3.04Å
168Y98.2Very high98Very high40 Ų4034.5 Ų34.516%0.15723%0.229CC..Hα-helixtrans-65-48.7-179.7-171.7-111.5000111.6I94 A95 A157 Q165 A170 S171 K172I94-Y168 WeakPolarHBondContact O-CD2 3.37Å; I94-Y168 WeakPolarHBondContact O-CE2 3.42Å; A95-Y168 HydrophobicContact CB-CD2 3.79Å; A95-Y168 HydrophobicContact CB-CE2 3.86Å; A95-Y168 HydrophobicContact CB-CG 4.38Å; A157-Y168 HydrophobicContact CB-CD1 3.7Å; A157-Y168 HydrophobicContact CB-CE1 3.83Å; Q165-Y168 PolarHBondContact O-N 2.91Å; Y168-A170 PolarHBondContact O-N 2.81Å; Y168-S171 PolarHBondContact O-N 2.81Å; Y168-S171 PolarHBondContact O-OG 2.92Å; Y168-K172 HydrophobicContact CD1-CG 4.45Å; Y168-K172 HydrophobicContact CD2-CG 4.46Å; Y168-K172 HydrophobicContact CE1-CG 4.13Å; Y168-K172 HydrophobicContact CE2-CD 4.45Å; Y168-K172 HydrophobicContact CE2-CG 4.16Å; Y168-K172 WeakPolarHBondContact O-CG 3.24Å; Y168-K172 PolarHBondContact O-N 3.4Å
169S98.6Very high98.1Very high25 Ų2533.4 Ų33.418%0.17522%0.22CC..Hα-helixtrans-61.6-43.2178.1-51.30000111.5A157 G161 Q165 S171 K172 G173A157-S169 WeakPolarHBondContact O-CB 3.49Å; A157-S169 PolarHBondContact O-OG 3.38Å; A157-S169 VanDerWaalsContact O-OG 3.14Å; G161-S169 VanDerWaalsContact CA-OG 3.32Å; G161-S169 WeakPolarHBondContact CA-OG 3.43Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 3.01Å; Q165-S169 PolarHBondContact O-OG 2.63Å; S169-S171 PolarHBondContact O-N 2.78Å; S169-K172 PolarHBondContact O-N 2.82Å; S169-G173 PolarHBondContact O-N 3.31Å
170A98.8Very high98.1Very high44 Ų4432.8 Ų32.836%0.36422%0.22SC..Hα-helixtrans-59.7-45.7174.200000111.6F114 L118 A166 Y168 K172 G173 G174F114-A170 HydrophobicContact CE2-CB 4.2Å; F114-A170 HydrophobicContact CZ-CB 3.89Å; L118-A170 HydrophobicContact CD1-CB 4.41Å; A166-A170 VanDerWaalsContact O-CB 3.28Å; A166-A170 WeakPolarHBondContact O-CB 3.26Å; A166-A170 PolarHBondContact O-N 3.44Å; Y168-A170 PolarHBondContact O-N 2.81Å; A170-K172 PolarHBondContact O-N 2.94Å; A170-G173 PolarHBondContact O-N 3.25Å; A170-G174 PolarHBondContact O-N 3.48Å
171S98.8Very high98.1Very high0 Ų033.3 Ų33.30%023%0.228CC..Hα-helixtrans-63.7-41.717977.50000113N121 A167 Y168 S169 G174 I175N121-S171 WeakPolarHBondContact CB-OG 3.22Å; N121-S171 PolarHBondContact ND2-OG 2.96Å; A167-S171 WeakPolarHBondContact O-CB 3.5Å; A167-S171 PolarHBondContact O-N 3.04Å; Y168-S171 PolarHBondContact O-N 2.81Å; Y168-S171 PolarHBondContact O-OG 2.92Å; S169-S171 PolarHBondContact O-N 2.78Å; S171-G174 PolarHBondContact O-N 2.91Å; S171-I175 WeakPolarHBondContact O-CG1 3.37Å; S171-I175 PolarHBondContact O-N 3.42Å
172K98.7Very high98.3Very high7 Ų732 Ų323%0.0321%0.212CC..Hα-helixtrans-77.7-32.9-179.5-61.5-50.2-162.5173.10112.1T153 A158 Y168 S169 A170 G174 I175 V176T153-K172 PolarHBondContact O-NZ 3.44Å; A158-K172 HydrophobicContact CB-CB 4.05Å; Y168-K172 HydrophobicContact CD1-CG 4.45Å; Y168-K172 HydrophobicContact CD2-CG 4.46Å; Y168-K172 HydrophobicContact CE1-CG 4.13Å; Y168-K172 HydrophobicContact CE2-CD 4.45Å; Y168-K172 HydrophobicContact CE2-CG 4.16Å; Y168-K172 WeakPolarHBondContact O-CG 3.24Å; Y168-K172 PolarHBondContact O-N 3.4Å; S169-K172 PolarHBondContact O-N 2.82Å; A170-K172 PolarHBondContact O-N 2.94Å; K172-G174 VanDerWaalsContact C-N 3.33Å; K172-I175 HydrophobicContact CD-CD1 3.79Å; K172-I175 PolarHBondContact O-N 3.46Å; K172-V176 PolarHBondContact O-N 3.26Å
173G98.9Very high98.5Very high25 Ų2529.3 Ų29.326%0.25820%0.199SC..Hα-helixtrans-63.7-36.8169.200000112.4S169 A170 I175 V176 G177S169-G173 PolarHBondContact O-N 3.31Å; A170-G173 PolarHBondContact O-N 3.25Å; G173-I175 PolarHBondContact O-N 3.29Å; G173-V176 WeakPolarHBondContact O-CB 3.49Å; G173-V176 PolarHBondContact O-N 3.42Å; G173-G177 PolarHBondContact O-N 2.97Å
174G98.9Very high98.6Very high24 Ų2433.3 Ų33.325%0.24721%0.205CC..Hα-helixtrans-60.4-42.5170.800000112.7A170 S171 K172 G177 M178A170-G174 PolarHBondContact O-N 3.48Å; S171-G174 PolarHBondContact O-N 2.91Å; K172-G174 VanDerWaalsContact C-N 3.33Å; G174-G177 PolarHBondContact O-N 3.17Å; G174-M178 WeakPolarHBondContact O-CG 3.47Å; G174-M178 PolarHBondContact O-N 3.35Å
175I98.9Very high98.7Very high0 Ų038.5 Ų38.50%023%0.229CC..Hα-helixtrans-62.7-43.6175.8-62.1170000110.9N121 L122 N152 T153 A154 S171 K172 G173 M178 T179 T195N121-I175 WeakPolarHBondContact O-CD1 3.49Å; L122-I175 HydrophobicContact CD1-CG1 4.05Å; N152-I175 HydrophobicContact CB-CG2 3.62Å; T153-I175 WeakPolarHBondContact O-CD1 3.18Å; A154-I175 HydrophobicContact CB-CB 4.46Å; A154-I175 HydrophobicContact CB-CG2 4.25Å; S171-I175 WeakPolarHBondContact O-CG1 3.37Å; S171-I175 PolarHBondContact O-N 3.42Å; K172-I175 HydrophobicContact CD-CD1 3.79Å; K172-I175 PolarHBondContact O-N 3.46Å; G173-I175 PolarHBondContact O-N 3.29Å; I175-M178 HydrophobicContact CB-CE 4.33Å; I175-M178 HydrophobicContact CG1-CE 4.08Å; I175-M178 HydrophobicContact CG2-CE 4.3Å; I175-M178 WeakPolarHBondContact O-CG 3.44Å; I175-M178 PolarHBondContact O-N 3.06Å; I175-T179 PolarHBondContact O-N 2.94Å; I175-T179 PolarHBondContact O-OG1 3.45Å; I175-T195 HydrophobicContact CG2-CG2 4.01Å
176V98.9Very high98.8Very high36 Ų3637.5 Ų37.522%0.21823%0.225CC..Hα-helixtrans-57.3-52.6172.7165.90000110.5A154 A158 F159 K172 G173 M178 T179 V250A154-V176 HydrophobicContact CB-CG2 3.9Å; A158-V176 HydrophobicContact CB-CG2 3.78Å; F159-V176 HydrophobicContact CE1-CG1 4.2Å; F159-V176 HydrophobicContact CE1-CG2 4.29Å; F159-V176 HydrophobicContact CZ-CG2 3.98Å; K172-V176 PolarHBondContact O-N 3.26Å; G173-V176 WeakPolarHBondContact O-CB 3.49Å; G173-V176 PolarHBondContact O-N 3.42Å; V176-M178 VanDerWaalsContact C-N 3.29Å; V176-M178 PolarHBondContact O-N 3.44Å; V176-T179 WeakPolarHBondContact O-CB 3.44Å; V176-T179 PolarHBondContact O-N 3.07Å; V176-T179 VanDerWaalsContact O-N 3.14Å; V176-T179 PolarHBondContact O-OG1 3.38Å; V176-V250 HydrophobicContact CB-CG2 4.37Å; V176-V250 HydrophobicContact CG1-CG2 4.06Å; V176-V250 HydrophobicContact CG2-CG1 4.21Å; V176-V250 HydrophobicContact CG2-CG2 4.14Å
177G98.9Very high98.8Very high52 Ų5238.3 Ų38.354%0.53623%0.232SC..Hα-helixtrans-61.4-32.6-176.800000114G173 G174 P181G173-G177 PolarHBondContact O-N 2.97Å; G174-G177 PolarHBondContact O-N 3.17Å; G177-P181 VanDerWaalsContact O-CD 3.24Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; G177-P181 WeakPolarHBondContact O-CG 3.48Å
178M98.9Very high98.8Very high25 Ų2544 Ų4412%0.12327%0.269CS..Hα-helixtrans-85.9-8179.275.8-177.6-174.700114.4L122 T125 F126 I129 G174 I175 V176 P181 I182L122-M178 HydrophobicContact CD1-CE 4.17Å; L122-M178 HydrophobicContact CD1-SD 3.84Å; T125-M178 HydrophobicContact CG2-CE 3.41Å; T125-M178 VanDerWaalsContact CG2-CE 3.41Å; F126-M178 HydrophobicContact CB-SD 4.36Å; F126-M178 HydrophobicContact CD2-SD 4.35Å; I129-M178 HydrophobicContact CD1-CE 3.7Å; G174-M178 WeakPolarHBondContact O-CG 3.47Å; G174-M178 PolarHBondContact O-N 3.35Å; I175-M178 HydrophobicContact CB-CE 4.33Å; I175-M178 HydrophobicContact CG1-CE 4.08Å; I175-M178 HydrophobicContact CG2-CE 4.3Å; I175-M178 WeakPolarHBondContact O-CG 3.44Å; I175-M178 PolarHBondContact O-N 3.06Å; V176-M178 VanDerWaalsContact C-N 3.29Å; V176-M178 PolarHBondContact O-N 3.44Å; M178-P181 WeakPolarHBondContact O-CD 3.44Å; M178-P181 WeakPolarHBondContact O-CG 3.35Å; M178-I182 HydrophobicContact CB-CD1 3.79Å; M178-I182 HydrophobicContact CB-CG1 4.36Å; M178-I182 HydrophobicContact CG-CD1 3.74Å; M178-I182 WeakPolarHBondContact O-CB 3.26Å; M178-I182 WeakPolarHBondContact O-CD1 3.4Å; M178-I182 WeakPolarHBondContact O-CG1 3.46Å; M178-I182 PolarHBondContact O-N 3.42Å; M178-I182 HydrophobicContact SD-CD1 3.95Å
179T98.9Very high98.8Very high2 Ų245.3 Ų45.31%0.01228%0.278CS..Hα-helixtrans-63.2-55.4-175.3-61.60000112.4I175 V176 A183 V193 T195I175-T179 PolarHBondContact O-N 2.94Å; I175-T179 PolarHBondContact O-OG1 3.45Å; V176-T179 WeakPolarHBondContact O-CB 3.44Å; V176-T179 PolarHBondContact O-N 3.07Å; V176-T179 VanDerWaalsContact O-N 3.14Å; V176-T179 PolarHBondContact O-OG1 3.38Å; T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 3.19Å; T179-V193 HydrophobicContact CG2-CG1 4.5Å; T179-T195 WeakPolarHBondContact OG1-CB 3.5Å; T179-T195 PolarHBondContact OG1-OG1 2.96Å
180L98.9Very high98.8Very high79 Ų7945.1 Ų45.141%0.41428%0.279SS..Hα-helixtrans-65.5-46.8-179.3-17862.8000114.2A183 R184L180-A183 PolarHBondContact O-N 2.94Å; L180-R184 WeakPolarHBondContact O-CG 3.45Å; L180-R184 PolarHBondContact O-N 3.44Å; L180-R184 VanDerWaalsContact O-N 3.09Å
181P98.9Very high98.8Very high59 Ų5943 Ų4338%0.38326%0.262SS..Hα-helixtrans-63.5-42.4179.222.9-32.9000112.1G177 M178 A183 R184 D185G177-P181 VanDerWaalsContact O-CD 3.24Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; G177-P181 WeakPolarHBondContact O-CG 3.48Å; M178-P181 WeakPolarHBondContact O-CD 3.44Å; M178-P181 WeakPolarHBondContact O-CG 3.35Å; P181-A183 VanDerWaalsContact C-N 3.34Å; P181-A183 PolarHBondContact O-N 3.25Å; P181-R184 WeakPolarHBondContact O-CB 3.44Å; P181-R184 PolarHBondContact O-N 2.89Å; P181-R184 VanDerWaalsContact O-N 3.09Å; P181-D185 PolarHBondContact O-N 2.94Å
182I98.9Very high98.8Very high14 Ų1443.7 Ų43.77%0.07226%0.264CS..Hα-helixtrans-66.1-38.2177.6-59.8172.3000110.7F126 I129 M178 R184 D185 L186 V193F126-I182 HydrophobicContact CD2-CD1 4.1Å; F126-I182 HydrophobicContact CE2-CD1 4.28Å; I129-I182 HydrophobicContact CD1-CD1 4.06Å; I129-I182 HydrophobicContact CG2-CD1 4.28Å; I129-I182 HydrophobicContact CG2-CG2 3.8Å; M178-I182 HydrophobicContact CB-CD1 3.79Å; M178-I182 HydrophobicContact CB-CG1 4.36Å; M178-I182 HydrophobicContact CG-CD1 3.74Å; M178-I182 WeakPolarHBondContact O-CB 3.26Å; M178-I182 WeakPolarHBondContact O-CD1 3.4Å; M178-I182 WeakPolarHBondContact O-CG1 3.46Å; M178-I182 PolarHBondContact O-N 3.42Å; M178-I182 HydrophobicContact SD-CD1 3.95Å; I182-R184 PolarHBondContact O-N 2.76Å; I182-D185 PolarHBondContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 3.8Å; I182-L186 HydrophobicContact CG2-CG 4.13Å; I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.27Å; I182-V193 HydrophobicContact CB-CG2 4.45Å; I182-V193 HydrophobicContact CG2-CG1 4.49Å; I182-V193 HydrophobicContact CG2-CG2 3.85Å
183A98.9Very high98.8Very high3 Ų343.3 Ų43.33%0.02526%0.263CS..Hα-helixtrans-57.6-37.4173.100000112.5T179 L180 P181 A187 V193T179-A183 WeakPolarHBondContact O-CB 3.31Å; T179-A183 PolarHBondContact O-N 3.19Å; L180-A183 PolarHBondContact O-N 2.94Å; P181-A183 VanDerWaalsContact C-N 3.34Å; P181-A183 PolarHBondContact O-N 3.25Å; A183-A187 WeakPolarHBondContact O-CB 3.37Å; A183-A187 PolarHBondContact O-N 3.4Å; A183-A187 VanDerWaalsContact O-N 3.17Å; A183-V193 HydrophobicContact CB-CB 3.98Å; A183-V193 HydrophobicContact CB-CG2 4.43Å
184R98.9Very high98.8Very high173 Ų17342.1 Ų42.165%0.65325%0.251SS*.Hα-helixtrans-72.1-42.7176.4-72.3174.1172.4168.6-1.7112L180 P181 I182 L186 A187L180-R184 WeakPolarHBondContact O-CG 3.45Å; L180-R184 PolarHBondContact O-N 3.44Å; L180-R184 VanDerWaalsContact O-N 3.09Å; P181-R184 WeakPolarHBondContact O-CB 3.44Å; P181-R184 PolarHBondContact O-N 2.89Å; P181-R184 VanDerWaalsContact O-N 3.09Å; I182-R184 PolarHBondContact O-N 2.76Å; R184-L186 VanDerWaalsContact C-N 3.29Å; R184-L186 PolarHBondContact O-N 2.79Å; R184-A187 WeakPolarHBondContact O-CB 3.31Å; R184-A187 PolarHBondContact O-N 2.93Å
185D98.9Very high98.8Very high120 Ų12041 Ų4164%0.64224%0.239SC*.Hα-helixtrans-60.1-40.8178.5-70.5-13.6000111.7P181 I182 P188P181-D185 PolarHBondContact O-N 2.94Å; I182-D185 PolarHBondContact O-N 3.14Å; D185-P188 WeakPolarHBondContact O-CD 3.47Å
186L98.9Very high98.8Very high21 Ų2141 Ų4111%0.1124%0.239CC..THydrogen-bonded Turntrans-92.4-3.5-176.1-55.4-177.2000114.1A133 I150 I182 R184 M189 G190 I191 V193A133-L186 HydrophobicContact CB-CD1 3.88Å; A133-L186 HydrophobicContact CB-CD2 3.9Å; I150-L186 HydrophobicContact CD1-CD1 4.03Å; I182-L186 HydrophobicContact CG2-CD1 3.8Å; I182-L186 HydrophobicContact CG2-CG 4.13Å; I182-L186 WeakPolarHBondContact O-CG 3.49Å; I182-L186 PolarHBondContact O-N 3.27Å; R184-L186 VanDerWaalsContact C-N 3.29Å; R184-L186 PolarHBondContact O-N 2.79Å; L186-M189 HydrophobicContact CD2-SD 4.1Å; L186-M189 WeakPolarHBondContact O-CB 3.33Å; L186-M189 PolarHBondContact O-N 3.35Å; L186-G190 PolarHBondContact O-N 3.09Å; L186-I191 HydrophobicContact CB-CB 4Å; L186-I191 HydrophobicContact CB-CG2 4.46Å; L186-I191 HydrophobicContact CD1-CB 4.39Å; L186-I191 HydrophobicContact CD1-CG2 4.01Å; L186-I191 PolarHBondContact O-N 3.4Å; L186-V193 HydrophobicContact CD1-CG2 4.03Å
187A98.8Very high98.8Very high55 Ų5539.3 Ų39.346%0.45523%0.228SC..G310 helixtrans-57.4-42.6179.100000113.6A183 R184 M189 G190A183-A187 WeakPolarHBondContact O-CB 3.37Å; A183-A187 PolarHBondContact O-N 3.4Å; A183-A187 VanDerWaalsContact O-N 3.17Å; R184-A187 WeakPolarHBondContact O-CB 3.31Å; R184-A187 PolarHBondContact O-N 2.93Å; A187-M189 PolarHBondContact O-N 3.37Å; A187-M189 VanDerWaalsContact O-N 3.16Å; A187-G190 PolarHBondContact O-N 3.14Å
188P98.6Very high98.8Very high120 Ų12037.2 Ų37.278%0.77921%0.206SC*.G310 helixtrans-61.9-22.6176.2-23.235.3000113.8D185D185-P188 WeakPolarHBondContact O-CD 3.47Å
189M98.3Very high98.7Very high68 Ų6836.7 Ų36.734%0.33521%0.206SC..G310 helixtrans-88.3-5.2176.7-59.4175.964.200112.7A133 G137 R147 L186 A187 I191A133-M189 WeakPolarHBondContact O-CE 3.27Å; G137-M189 VanDerWaalsContact CA-CE 3.45Å; R147-M189 WeakPolarHBondContact CD-O 3.32Å; R147-M189 VanDerWaalsContact CG-O 3.27Å; R147-M189 WeakPolarHBondContact CG-O 3.42Å; L186-M189 HydrophobicContact CD2-SD 4.1Å; L186-M189 WeakPolarHBondContact O-CB 3.33Å; L186-M189 PolarHBondContact O-N 3.35Å; A187-M189 PolarHBondContact O-N 3.37Å; A187-M189 VanDerWaalsContact O-N 3.16Å; M189-I191 HydrophobicContact CB-CD1 4.01Å; M189-I191 HydrophobicContact CB-CG1 4.22Å; M189-I191 HydrophobicContact CE-CD1 3.91Å; M189-I191 HydrophobicContact SD-CD1 4.48Å
190G98.4Very high98.6Very high20 Ų2037.8 Ų37.821%0.20621%0.212CC..THydrogen-bonded Turntrans67.933.2-174.700000113.1Q146 R147 L186 A187Q146-G190 CarbonylContact C-O 3.51Å; Q146-G190 VanDerWaalsContact CA-O 3.24Å; Q146-G190 WeakPolarHBondContact CA-O 3.45Å; Q146-G190 WeakPolarHBondContact CG-O 3.33Å; R147-G190 PolarHBondContact N-O 3.2Å; L186-G190 PolarHBondContact O-N 3.09Å; A187-G190 PolarHBondContact O-N 3.14Å
191I98.9Very high98.5Very high1 Ų134.6 Ų34.61%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-108.8122.4176.3-59.4164.5000108.8A133 M136 R147 G148 I150 L186 M189A133-I191 HydrophobicContact CB-CD1 4.5Å; M136-I191 HydrophobicContact CB-CD1 3.62Å; M136-I191 HydrophobicContact CB-CG1 4.08Å; M136-I191 HydrophobicContact SD-CG2 3.91Å; R147-I191 HydrophobicContact CB-CG1 4.24Å; G148-I191 WeakPolarHBondContact O-CA 3.49Å; I150-I191 HydrophobicContact CD1-CG2 4.16Å; I150-I191 HydrophobicContact CG1-CG2 4.1Å; L186-I191 HydrophobicContact CB-CB 4Å; L186-I191 HydrophobicContact CB-CG2 4.46Å; L186-I191 HydrophobicContact CD1-CB 4.39Å; L186-I191 HydrophobicContact CD1-CG2 4.01Å; L186-I191 PolarHBondContact O-N 3.4Å; M189-I191 HydrophobicContact CB-CD1 4.01Å; M189-I191 HydrophobicContact CB-CG1 4.22Å; M189-I191 HydrophobicContact CE-CD1 3.91Å; M189-I191 HydrophobicContact SD-CD1 4.48Å
192R98.9Very high98.2Very high13 Ų1333 Ų335%0.04919%0.188CC..EExtended strand (participates in β ladder)trans-85150.5175.9-66.1-172.4-63.6116.7-4.1111.2G148 V149 I150 I240 I241 N243 P244 I246 N247G148-R192 PolarHBondContact O-N 3.36Å; G148-R192 VanDerWaalsContact O-N 3.11Å; V149-R192 WeakPolarHBondContact CA-O 3.4Å; V149-R192 HydrophobicContact CB-CB 4.46Å; V149-R192 HydrophobicContact CG2-CB 4.07Å; I150-R192 PolarHBondContact N-O 3.31Å; R192-I240 PolarHBondContact NH1-O 3.3Å; R192-I240 PolarHBondContact NH2-O 2.79Å; R192-I241 PolarHBondContact NH2-O 3.48Å; R192-N243 PolarHBondContact NH1-O 2.85Å; R192-P244 WeakPolarHBondContact CD-O 3.32Å; R192-I246 WeakPolarHBondContact CD-O 3.22Å; R192-I246 PolarHBondContact NH1-O 3.26Å; R192-N247 VanDerWaalsContact CA-OD1 3.31Å; R192-N247 WeakPolarHBondContact CA-OD1 3.41Å; R192-N247 HydrophobicContact CB-CB 4.42Å; R192-N247 HydrophobicContact CG-CB 4.14Å
193V98.9Very high97.7Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-130.7124.3173.7-173.40000109I150 T179 I182 A183 L186 N247 G248I150-V193 HydrophobicContact CB-CG1 4.5Å; I150-V193 HydrophobicContact CB-CG2 4.32Å; I150-V193 HydrophobicContact CG2-CG1 4.44Å; I150-V193 CarbonylContact O-C 3.5Å; I150-V193 WeakPolarHBondContact O-CA 3.37Å; T179-V193 HydrophobicContact CG2-CG1 4.5Å; I182-V193 HydrophobicContact CB-CG2 4.45Å; I182-V193 HydrophobicContact CG2-CG1 4.49Å; I182-V193 HydrophobicContact CG2-CG2 3.85Å; A183-V193 HydrophobicContact CB-CB 3.98Å; A183-V193 HydrophobicContact CB-CG2 4.43Å; L186-V193 HydrophobicContact CD1-CG2 4.03Å; V193-N247 PolarHBondContact N-OD1 2.76Å; V193-N247 PolarHBondContact O-OD1 3.02Å; V193-G248 WeakPolarHBondContact O-CA 3.49Å; V193-G248 PolarHBondContact O-N 3.4Å
194M98.9Very high97Very high0 Ų036.8 Ų36.80%021%0.213CC..EExtended strand (participates in β ladder)trans-130.4157.4-179.8-78.4-60.8-59.200110.2I150 I151 N152 I240 I246 N247 E249 I251I150-M194 PolarHBondContact O-N 2.98Å; I151-M194 CarbonylContact C-O 3.58Å; I151-M194 WeakPolarHBondContact CA-O 3.43Å; I151-M194 HydrophobicContact CG1-CB 4.45Å; N152-M194 PolarHBondContact N-O 3.09Å; N152-M194 PolarHBondContact ND2-O 3.11Å; M194-I240 HydrophobicContact CB-CD1 4.42Å; M194-I240 HydrophobicContact CB-CG2 3.78Å; M194-I240 HydrophobicContact CE-CD1 4.49Å; M194-I240 HydrophobicContact CG-CG2 3.66Å; M194-I246 HydrophobicContact CE-CB 4.49Å; M194-I246 HydrophobicContact CE-CG2 3.27Å; M194-I246 HydrophobicContact CG-CG2 4.31Å; M194-I246 HydrophobicContact SD-CB 4.34Å; M194-I246 HydrophobicContact SD-CG2 3.52Å; M194-I246 VanDerWaalsContact SD-CG2 3.52Å; M194-N247 VanDerWaalsContact SD-CA 3.57Å; M194-E249 HydrophobicContact CE-CB 3.88Å; M194-E249 VanDerWaalsContact CE-O 3.24Å; M194-E249 WeakPolarHBondContact CE-O 3.44Å; M194-E249 HydrophobicContact SD-CB 3.99Å; M194-I251 HydrophobicContact CE-CD1 3.8Å; M194-I251 HydrophobicContact CE-CG1 3.94Å
195T98.9Very high96Very high0 Ų033.8 Ų33.80%021%0.21CC..EExtended strand (participates in β ladder)trans-133.1136.8173.9-68.60000110N152 A154 I175 T179 E249 V250 I251N152-T195 HydrophobicContact CB-CG2 4.42Å; N152-T195 WeakPolarHBondContact CB-OG1 3.16Å; N152-T195 PolarHBondContact ND2-OG1 3.16Å; N152-T195 CarbonylContact O-C 3.59Å; N152-T195 WeakPolarHBondContact O-CA 3.43Å; A154-T195 HydrophobicContact CB-CG2 3.43Å; A154-T195 VanDerWaalsContact CB-CG2 3.43Å; I175-T195 HydrophobicContact CG2-CG2 4.01Å; T179-T195 WeakPolarHBondContact OG1-CB 3.5Å; T179-T195 PolarHBondContact OG1-OG1 2.96Å; T195-E249 PolarHBondContact N-O 3.46Å; T195-V250 HydrophobicContact CG2-CG1 3.98Å; T195-V250 HydrophobicContact CG2-CG2 4.25Å; T195-V250 CarbonylContact O-C 3.56Å; T195-V250 VanDerWaalsContact O-CA 3.26Å; T195-V250 WeakPolarHBondContact O-CA 3.45Å; T195-I251 PolarHBondContact O-N 3.33Å
196I98.9Very high95.1Very high0 Ų029.4 Ų29.40%019%0.186CC..EExtended strand (participates in β ladder)trans-103.1135.6168.7-59.3170.3000107I151 N152 A154 P198 Y233 L236 V237 I240 I251 L253I151-I196 HydrophobicContact CG2-CD1 3.94Å; I151-I196 HydrophobicContact CG2-CG1 4.16Å; N152-I196 PolarHBondContact O-N 3.05Å; A154-I196 PolarHBondContact N-O 3.3Å; I196-P198 HydrophobicContact CG2-CG 4.19Å; I196-P198 WeakPolarHBondContact O-CD 3.23Å; I196-Y233 HydrophobicContact CB-CE2 3.81Å; I196-Y233 HydrophobicContact CD1-CD2 4.3Å; I196-Y233 HydrophobicContact CD1-CE2 3.79Å; I196-Y233 HydrophobicContact CG1-CE2 4.41Å; I196-Y233 HydrophobicContact CG2-CD2 3.89Å; I196-Y233 HydrophobicContact CG2-CE2 3.64Å; I196-L236 HydrophobicContact CB-CD2 4.47Å; I196-L236 HydrophobicContact CD1-CB 4.26Å; I196-L236 HydrophobicContact CD1-CD2 3.88Å; I196-L236 HydrophobicContact CD1-CG 3.84Å; I196-L236 HydrophobicContact CG1-CD2 3.86Å; I196-L236 HydrophobicContact CG1-CG 4.21Å; I196-L236 HydrophobicContact CG2-CD2 3.81Å; I196-V237 HydrophobicContact CD1-CG2 3.69Å; I196-I240 HydrophobicContact CD1-CD1 3.83Å; I196-I240 HydrophobicContact CG1-CD1 3.71Å; I196-I251 CarbonylContact C-O 3.39Å; I196-I251 WeakPolarHBondContact CA-O 3.47Å; I196-L253 HydrophobicContact CG2-CB 4.15Å
197A98.8Very high94.2Very high0 Ų031.2 Ų31.20%020%0.198CC..EExtended strand (participates in β ladder)trans-110.989.8172.500000109.4A154 F159 V250 I251 R252 L253A154-A197 HydrophobicContact CB-CB 4.28Å; F159-A197 HydrophobicContact CE2-CB 3.77Å; A197-V250 HydrophobicContact CB-CG1 3.82Å; A197-I251 PolarHBondContact N-O 2.86Å; A197-R252 HydrophobicContact CB-CG 4.41Å; A197-R252 WeakPolarHBondContact O-CA 3.31Å; A197-L253 PolarHBondContact O-N 3.42Å; A197-L253 VanDerWaalsContact O-N 3.07Å
198P98.4Very high93.2Very high9 Ų933.2 Ų33.26%0.05821%0.209CC..EExtended strand (participates in β ladder)trans-68.5145180-17.431.6000111.7L22 T153 V156 I196 F201 Y233 L253L22-P198 HydrophobicContact CD1-CB 4.45Å; L22-P198 HydrophobicContact CD1-CG 3.99Å; T153-P198 HydrophobicContact CG2-CG 3.72Å; V156-P198 PolarHBondContact N-O 3.26Å; I196-P198 HydrophobicContact CG2-CG 4.19Å; I196-P198 WeakPolarHBondContact O-CD 3.23Å; P198-F201 HydrophobicContact CB-CD2 3.7Å; P198-F201 HydrophobicContact CB-CE2 3.63Å; P198-Y233 HydrophobicContact CG-CD2 3.86Å; P198-Y233 HydrophobicContact CG-CE2 3.82Å; P198-L253 WeakPolarHBondContact CA-O 3.35Å
199G97.3Very high92.4Very high13 Ų1330.4 Ų30.413%0.13419%0.187CC..  trans-76.3-137.4161.600000111.9L253G199-L253 PolarHBondContact N-O 3.19Å
200L95.9Very high92Very high25 Ų2531.3 Ų31.313%0.13120%0.198CC..SBendtrans-87.5119178.8-58.3175000110.4L206 L217 V221 L227 G228 I257 M259L200-L206 HydrophobicContact CB-CD1 4.28Å; L200-L206 HydrophobicContact CD2-CD1 4.19Å; L200-L217 HydrophobicContact CD1-CB 4.12Å; L200-L217 HydrophobicContact CD1-CD2 4.22Å; L200-V221 HydrophobicContact CD1-CG2 4.47Å; L200-L227 HydrophobicContact CB-CD2 3.73Å; L200-G228 PolarHBondContact O-N 2.82Å; L200-I257 HydrophobicContact CD1-CD1 3.81Å; L200-I257 HydrophobicContact CG-CD1 4.35Å; L200-M259 HydrophobicContact CD2-CE 4.18Å
201F97.1Very high91.6Very high13 Ų1336.2 Ų36.26%0.05722%0.216CC..BIsolated β-bridgetrans-120.6146.3-179.3-84.2-104.1000112.3L22 P198 T203 L206 G228 D229 E232 L253L22-F201 HydrophobicContact CD2-CB 4.05Å; L22-F201 HydrophobicContact CD2-CD1 3.75Å; L22-F201 HydrophobicContact CD2-CE1 4.47Å; L22-F201 HydrophobicContact CD2-CG 3.96Å; P198-F201 HydrophobicContact CB-CD2 3.7Å; P198-F201 HydrophobicContact CB-CE2 3.63Å; F201-T203 HydrophobicContact CB-CG2 4.09Å; F201-T203 PolarHBondContact O-N 3.49Å; F201-L206 WeakPolarHBondContact O-CD1 3.07Å; F201-G228 CarbonylContact C-O 3.59Å; F201-G228 WeakPolarHBondContact CA-O 3.49Å; F201-G228 VanDerWaalsContact CD1-C 3.4Å; F201-G228 WeakPolarHBondContact CD1-O 3.47Å; F201-D229 VanDerWaalsContact CE1-O 3.3Å; F201-D229 WeakPolarHBondContact CE1-O 3.3Å; F201-E232 HydrophobicContact CE1-CB 4.49Å; F201-L253 HydrophobicContact CE1-CD2 4.35Å; F201-L253 HydrophobicContact CE2-CD2 4.48Å; F201-L253 HydrophobicContact CE2-CG 4.43Å; F201-L253 WeakPolarHBondContact CE2-O 3.35Å; F201-L253 HydrophobicContact CZ-CD2 3.61Å; F201-L253 HydrophobicContact CZ-CG 3.83Å
202G92.2Very high91.2Very high24 Ų2444.9 Ų44.925%0.24725%0.253CS..  trans-71.462.4175.500000113.3G228G202-G228 PolarHBondContact N-O 2.82Å
203T88.5Confident90.7Very high23 Ų2347.2 Ų47.214%0.14127%0.269CS..SBendtrans-92.4167174.263.60000111L22 F201 L205 L206 T207 P230L22-T203 HydrophobicContact CD2-CG2 3.91Å; L22-T203 HydrophobicContact CG-CG2 3.95Å; F201-T203 HydrophobicContact CB-CG2 4.09Å; F201-T203 PolarHBondContact O-N 3.49Å; T203-L205 PolarHBondContact O-N 3.29Å; T203-L206 PolarHBondContact O-N 2.82Å; T203-T207 WeakPolarHBondContact O-CB 3.35Å; T203-T207 WeakPolarHBondContact O-CG2 3.24Å; T203-T207 PolarHBondContact O-N 3.48Å; T203-T207 PolarHBondContact O-OG1 3.03Å; T203-P230 HydrophobicContact CG2-CG 4.48Å
204P84.7Confident90.2Very high74 Ų7451 Ų5148%0.48128%0.283SS..Hα-helixtrans-49.6-32.8173-31.839.1000114.1L206 T207 S208P204-L206 PolarHBondContact O-N 3.32Å; P204-T207 VanDerWaalsContact CA-OG1 3.24Å; P204-T207 WeakPolarHBondContact CA-OG1 3.38Å; P204-S208 WeakPolarHBondContact O-CB 3.41Å; P204-S208 PolarHBondContact O-N 3.43Å; P204-S208 PolarHBondContact O-OG 3Å
205L77.1Confident89.9Confident110 Ų11055.3 Ų55.358%0.57631%0.306SS*.Hα-helixtrans-58.6-45175.8-178.963.9000113.1A95 T203 S208A95-L205 HydrophobicContact CB-CD2 4.49Å; T203-L205 PolarHBondContact O-N 3.29Å; L205-S208 PolarHBondContact O-OG 3.26Å
206L81Confident89.5Confident29 Ų2961.2 Ų61.215%0.15233%0.332CS..Hα-helixtrans-94.4-29.7-179.4-67.9-170.2000113.1L200 F201 T203 P204 S208 L209 R214 L217 L227L200-L206 HydrophobicContact CB-CD1 4.28Å; L200-L206 HydrophobicContact CD2-CD1 4.19Å; F201-L206 WeakPolarHBondContact O-CD1 3.07Å; T203-L206 PolarHBondContact O-N 2.82Å; P204-L206 PolarHBondContact O-N 3.32Å; L206-S208 VanDerWaalsContact C-N 3.25Å; L206-S208 PolarHBondContact O-N 3.19Å; L206-L209 HydrophobicContact CD2-CD1 3.81Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 2.92Å; L206-L209 VanDerWaalsContact O-N 3.15Å; L206-R214 WeakPolarHBondContact O-CD 3.45Å; L206-R214 WeakPolarHBondContact O-CG 3.32Å; L206-L217 HydrophobicContact CD2-CD1 4.32Å; L206-L227 HydrophobicContact CD1-CD2 4.38Å
207T80.1Confident89.2Confident59 Ų5962.7 Ų62.736%0.36234%0.34SS..Hα-helixtrans-71.3-21-177.652.60000113T203 P204 L209 R214T203-T207 WeakPolarHBondContact O-CB 3.35Å; T203-T207 WeakPolarHBondContact O-CG2 3.24Å; T203-T207 PolarHBondContact O-N 3.48Å; T203-T207 PolarHBondContact O-OG1 3.03Å; P204-T207 VanDerWaalsContact CA-OG1 3.24Å; P204-T207 WeakPolarHBondContact CA-OG1 3.38Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.35Å; T207-R214 PolarHBondContact O-NH1 3.49Å
208S78.2Confident88.9Confident96 Ų9663.4 Ų63.467%0.67135%0.346SS*.THydrogen-bonded Turntrans-74.3-13171.757.10000114.1P204 L205 L206P204-S208 WeakPolarHBondContact O-CB 3.41Å; P204-S208 PolarHBondContact O-N 3.43Å; P204-S208 PolarHBondContact O-OG 3Å; L205-S208 PolarHBondContact O-OG 3.26Å; L206-S208 VanDerWaalsContact C-N 3.25Å; L206-S208 PolarHBondContact O-N 3.19Å
209L81.8Confident88.7Confident61 Ų6166.4 Ų66.432%0.31937%0.367SS..SBendtrans-71.6152.7175.5-62174.9000111.3L206 T207 V213 R214 L217L206-L209 HydrophobicContact CD2-CD1 3.81Å; L206-L209 WeakPolarHBondContact O-CB 3.27Å; L206-L209 PolarHBondContact O-N 2.92Å; L206-L209 VanDerWaalsContact O-N 3.15Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-L209 PolarHBondContact O-N 3.35Å; L209-V213 HydrophobicContact CB-CB 4.4Å; L209-V213 HydrophobicContact CB-CG1 4.4Å; L209-V213 HydrophobicContact CD1-CG1 4.1Å; L209-R214 HydrophobicContact CB-CG 4.07Å; L209-R214 WeakPolarHBondContact O-CD 3.41Å; L209-L217 HydrophobicContact CD1-CD1 4.01Å
210P88.3Confident88.6Confident87 Ų8769.6 Ų69.657%0.56538%0.378SS*.  trans-54.9144.7175.1-24.833.7000112.2K212 V213 R214P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 2.8Å; P210-K212 VanDerWaalsContact O-N 3.16Å; P210-V213 HydrophobicContact CB-CG2 4.28Å; P210-V213 HydrophobicContact CG-CG2 4.4Å; P210-V213 WeakPolarHBondContact O-CA 3.41Å; P210-V213 WeakPolarHBondContact O-CB 3.47Å; P210-V213 PolarHBondContact O-N 2.87Å; P210-R214 PolarHBondContact O-N 2.92Å; P210-R214 VanDerWaalsContact O-N 3.08Å
211E90.6Very high88.7Confident124 Ų12468.7 Ų68.758%0.57937%0.374SS*.Hα-helixtrans-52.8-43.5-175.1-169.6-174.1160.900113.2V213 R214 N215E211-V213 PolarHBondContact O-N 2.65Å; E211-R214 PolarHBondContact O-N 2.98Å; E211-R214 VanDerWaalsContact O-N 3.11Å; E211-N215 VanDerWaalsContact O-CG 3.31Å; E211-N215 PolarHBondContact O-N 3.32Å
212K90.6Very high88.8Confident183 Ų18371.9 Ų71.980%0.79640%0.396SS*.Hα-helixtrans-57.1-38.2177-170.5177.3-178.5179.10112.7P210 F216P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 2.8Å; P210-K212 VanDerWaalsContact O-N 3.16Å; K212-F216 WeakPolarHBondContact O-CB 3.34Å; K212-F216 PolarHBondContact O-N 3.33Å; K212-F216 VanDerWaalsContact O-N 3.09Å
213V87.7Confident89.1Confident62 Ų6278.9 Ų78.938%0.37642%0.42SS..Hα-helixtrans-71.3-43.1177.5-178.50000110.1L209 P210 E211 N215 F216 L217L209-V213 HydrophobicContact CB-CB 4.4Å; L209-V213 HydrophobicContact CB-CG1 4.4Å; L209-V213 HydrophobicContact CD1-CG1 4.1Å; P210-V213 HydrophobicContact CB-CG2 4.28Å; P210-V213 HydrophobicContact CG-CG2 4.4Å; P210-V213 WeakPolarHBondContact O-CA 3.41Å; P210-V213 WeakPolarHBondContact O-CB 3.47Å; P210-V213 PolarHBondContact O-N 2.87Å; E211-V213 PolarHBondContact O-N 2.65Å; V213-N215 PolarHBondContact O-N 2.94Å; V213-F216 PolarHBondContact O-N 3.3Å; V213-L217 HydrophobicContact CG1-CD1 4.15Å; V213-L217 HydrophobicContact CG1-CG 4.42Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.47Å
214R89.8Confident89.5Confident78 Ų7880 Ų8029%0.29443%0.427SS..Hα-helixtrans-60.9-44.1176.6-61.6-176.2-53.2-171.74.3111.9L206 T207 L209 P210 E211 L217 A218L206-R214 WeakPolarHBondContact O-CD 3.45Å; L206-R214 WeakPolarHBondContact O-CG 3.32Å; T207-R214 PolarHBondContact O-NH1 3.49Å; L209-R214 HydrophobicContact CB-CG 4.07Å; L209-R214 WeakPolarHBondContact O-CD 3.41Å; P210-R214 PolarHBondContact O-N 2.92Å; P210-R214 VanDerWaalsContact O-N 3.08Å; E211-R214 PolarHBondContact O-N 2.98Å; E211-R214 VanDerWaalsContact O-N 3.11Å; R214-L217 PolarHBondContact O-N 3.49Å; R214-A218 WeakPolarHBondContact O-CB 3.18Å; R214-A218 PolarHBondContact O-N 2.83Å
215N91.6Very high90.1Very high91 Ų9180 Ų8049%0.48743%0.429SS..Hα-helixtrans-65.7-39.6178.5-67.4-8.6000111.6E211 V213 A218 S219E211-N215 VanDerWaalsContact O-CG 3.31Å; E211-N215 PolarHBondContact O-N 3.32Å; V213-N215 PolarHBondContact O-N 2.94Å; N215-A218 PolarHBondContact O-N 3.42Å; N215-S219 PolarHBondContact O-N 2.94Å
216F92.1Very high91Very high125 Ų12579.4 Ų79.455%0.54842%0.419SS..Hα-helixtrans-64.2-44.2173.7174.5-101.3000112.2K212 V213 A218 S219 Q220K212-F216 WeakPolarHBondContact O-CB 3.34Å; K212-F216 PolarHBondContact O-N 3.33Å; K212-F216 VanDerWaalsContact O-N 3.09Å; V213-F216 PolarHBondContact O-N 3.3Å; F216-A218 VanDerWaalsContact C-N 3.35Å; F216-S219 PolarHBondContact O-N 3.07Å; F216-S219 PolarHBondContact O-OG 2.8Å; F216-Q220 HydrophobicContact CE1-CG 4.49Å; F216-Q220 WeakPolarHBondContact O-CG 3.12Å; F216-Q220 PolarHBondContact O-N 2.8Å
217L91.4Very high91.8Very high31 Ų3179.4 Ų79.416%0.16242%0.419CS..Hα-helixtrans-61.9-43.2175.7-74175.5000111.6L200 L206 L209 V213 R214 S219 Q220 L227L200-L217 HydrophobicContact CD1-CB 4.12Å; L200-L217 HydrophobicContact CD1-CD2 4.22Å; L206-L217 HydrophobicContact CD2-CD1 4.32Å; L209-L217 HydrophobicContact CD1-CD1 4.01Å; V213-L217 HydrophobicContact CG1-CD1 4.15Å; V213-L217 HydrophobicContact CG1-CG 4.42Å; V213-L217 WeakPolarHBondContact O-CB 3.47Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.47Å; R214-L217 PolarHBondContact O-N 3.49Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 3.08Å; L217-Q220 WeakPolarHBondContact O-CB 3.43Å; L217-Q220 PolarHBondContact O-N 2.71Å; L217-L227 HydrophobicContact CB-CD2 4.31Å
218A93Very high92.6Very high15 Ų1577.1 Ų77.112%0.12441%0.407CS..Hα-helixtrans-58.8-41.7174.400000112.3R214 N215 F216 Q220 V221 L227R214-A218 WeakPolarHBondContact O-CB 3.18Å; R214-A218 PolarHBondContact O-N 2.83Å; N215-A218 PolarHBondContact O-N 3.42Å; F216-A218 VanDerWaalsContact C-N 3.35Å; A218-Q220 PolarHBondContact O-N 2.8Å; A218-V221 WeakPolarHBondContact O-CB 3.45Å; A218-V221 PolarHBondContact O-N 2.66Å; A218-L227 HydrophobicContact CB-CG 4.41Å
219S95Very high93.6Very high71 Ų7176.5 Ų76.550%0.49740%0.397SS..Hα-helixtrans-70.2-13-179.978.60000113.9N215 F216 L217 V221N215-S219 PolarHBondContact O-N 2.94Å; F216-S219 PolarHBondContact O-N 3.07Å; F216-S219 PolarHBondContact O-OG 2.8Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 3.08Å; S219-V221 VanDerWaalsContact C-N 3.29Å
220Q95.3Very high94.4Very high81 Ų8174.6 Ų74.638%0.37939%0.388SS..THydrogen-bonded Turntrans-76.5-18.2171.6-60.7-59-57.900112.3F216 L217 A218 P222 I257F216-Q220 HydrophobicContact CE1-CG 4.49Å; F216-Q220 WeakPolarHBondContact O-CG 3.12Å; F216-Q220 PolarHBondContact O-N 2.8Å; L217-Q220 WeakPolarHBondContact O-CB 3.43Å; L217-Q220 PolarHBondContact O-N 2.71Å; A218-Q220 PolarHBondContact O-N 2.8Å; Q220-P222 WeakPolarHBondContact O-CD 3.49Å; Q220-I257 HydrophobicContact CB-CD1 3.8Å
221V97.8Very high94.8Very high6 Ų672.8 Ų72.84%0.03638%0.38CS..  trans-81.2121.9178.8-175.60000109.1L200 A218 S219 P224 S225 R226 I257L200-V221 HydrophobicContact CD1-CG2 4.47Å; A218-V221 WeakPolarHBondContact O-CB 3.45Å; A218-V221 PolarHBondContact O-N 2.66Å; S219-V221 VanDerWaalsContact C-N 3.29Å; V221-P224 WeakPolarHBondContact CG1-O 3.48Å; V221-S225 WeakPolarHBondContact O-CA 3.35Å; V221-S225 WeakPolarHBondContact O-CB 3.4Å; V221-S225 PolarHBondContact O-OG 3.23Å; V221-R226 WeakPolarHBondContact CG2-O 3.41Å; V221-I257 HydrophobicContact CG2-CD1 3.98Å
222P98.3Very high95.2Very high80 Ų8070.1 Ų70.152%0.51937%0.368SS..SBendtrans-59-63.1180-27.634.8000114.1Q220 G255 A256Q220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-G255 VanDerWaalsContact CD-O 3.26Å; P222-G255 WeakPolarHBondContact CD-O 3.23Å; P222-A256 HydrophobicContact CB-CB 4.44Å; P222-A256 HydrophobicContact CG-CB 4.36Å
223F97.6Very high95.6Very high170 Ų17061.4 Ų61.475%0.74633%0.33SS*.SBendtrans-159.7132.9177.5-174.7-96.2000111.7G255F223-G255 PolarHBondContact N-O 3.16Å; F223-G255 CarbonylContact O-C 3.39Å; F223-G255 VanDerWaalsContact O-CA 3.26Å; F223-G255 WeakPolarHBondContact O-CA 3.36Å; F223-G255 VanDerWaalsContact O-O 3.13Å
224P97.6Very high96.2Very high46 Ų4658.5 Ų58.530%0.29931%0.312SS..SBendcis-66.3134.7-728.8-35.2000111.4V221 R226V221-P224 WeakPolarHBondContact CG1-O 3.48Å; P224-R226 HydrophobicContact CB-CG 4.23Å; P224-R226 PolarHBondContact O-N 3.34Å
225S97.2Very high96.6Very high74 Ų7459.6 Ų59.652%0.51732%0.321SS..  trans-7971.1-173.8-160.60000112.1V221V221-S225 WeakPolarHBondContact O-CA 3.35Å; V221-S225 WeakPolarHBondContact O-CB 3.4Å; V221-S225 PolarHBondContact O-OG 3.23Å
226R96.7Very high96.9Very high98 Ų9856.7 Ų56.737%0.3731%0.305SS..SBendtrans-156.4172.3178.556.9165.4173.476.32.1109.9V221 P224 E232V221-R226 WeakPolarHBondContact CG2-O 3.41Å; P224-R226 HydrophobicContact CB-CG 4.23Å; P224-R226 PolarHBondContact O-N 3.34Å; R226-E232 IonicContact CZ-OE1 2.75Å; R226-E232 IonicContact CZ-OE2 3.36Å; R226-E232 IonicContact NH1-OE1 2.73Å; R226-E232 IonicContact NH1-OE2 3.13Å; R226-E232 PolarHBondContact NH1-OE2 2.77Å; R226-E232 VanDerWaalsContact NH2-CD 3.29Å; R226-E232 IonicContact NH2-OE1 2.66Å; R226-E232 PolarHBondContact NH2-OE1 3.27Å; R226-E232 IonicContact NH2-OE2 3.33Å; R226-E232 PolarHBondContact NH2-OE2 2.72Å
227L96.9Very high97.3Very high29 Ų2950.7 Ų50.715%0.15228%0.278CS..PPolyproline II helixtrans-65.1143.2161.2-57.4179.3000109.6L200 L206 L217 A218L200-L227 HydrophobicContact CB-CD2 3.73Å; L206-L227 HydrophobicContact CD1-CD2 4.38Å; L217-L227 HydrophobicContact CB-CD2 4.31Å; A218-L227 HydrophobicContact CB-CG 4.41Å
228G97.9Very high97.6Very high11 Ų1149.7 Ų49.711%0.11327%0.273CS..BIsolated β-bridgetrans-59.9140.1169.900000110.9L200 F201 G202L200-G228 PolarHBondContact O-N 2.82Å; F201-G228 CarbonylContact C-O 3.59Å; F201-G228 WeakPolarHBondContact CA-O 3.49Å; F201-G228 VanDerWaalsContact CD1-C 3.4Å; F201-G228 WeakPolarHBondContact CD1-O 3.47Å; G202-G228 PolarHBondContact N-O 2.82Å
229D97.8Very high97.9Very high84 Ų8450.6 Ų50.645%0.44928%0.28SS..PPolyproline II helixtrans-83.5128.6171.9-174.2-38.6000108.3F201 A231 E232F201-D229 VanDerWaalsContact CE1-O 3.3Å; F201-D229 WeakPolarHBondContact CE1-O 3.3Å; D229-A231 PolarHBondContact O-N 3.35Å; D229-A231 WeakPolarHBondContact OD1-CB 3.25Å; D229-A231 PolarHBondContact OD1-N 3.41Å; D229-E232 HydrophobicContact CB-CG 4.13Å; D229-E232 PolarHBondContact N-OE2 3.14Å; D229-E232 VanDerWaalsContact O-CB 3.31Å; D229-E232 WeakPolarHBondContact O-CB 3.42Å; D229-E232 PolarHBondContact O-N 3.16Å
230P98.5Very high98.1Very high20 Ų2047.2 Ų47.213%0.1326%0.257CS..Hα-helixtrans-47.6-29.2174.3-30.938.2000115L22 A25 T203 E232 Y233 A234L22-P230 HydrophobicContact CD2-CB 4.1Å; L22-P230 HydrophobicContact CD2-CG 4.37Å; A25-P230 HydrophobicContact CB-CB 3.42Å; A25-P230 VanDerWaalsContact CB-CB 3.42Å; T203-P230 HydrophobicContact CG2-CG 4.48Å; P230-E232 VanDerWaalsContact C-N 3.28Å; P230-E232 PolarHBondContact O-N 3Å; P230-Y233 WeakPolarHBondContact O-CB 3.45Å; P230-Y233 PolarHBondContact O-N 2.71Å; P230-A234 PolarHBondContact O-N 3.49Å
231A98.5Very high98.2Very high50 Ų5043.4 Ų43.441%0.41324%0.239SC..Hα-helixtrans-64.9-27174.600000113.6D229 A234 H235D229-A231 PolarHBondContact O-N 3.35Å; D229-A231 WeakPolarHBondContact OD1-CB 3.25Å; D229-A231 PolarHBondContact OD1-N 3.41Å; A231-A234 PolarHBondContact O-N 3.31Å; A231-H235 WeakPolarHBondContact O-CB 3.38Å; A231-H235 PolarHBondContact O-N 2.94Å
232E98.8Very high98.2Very high68 Ų6845.6 Ų45.632%0.31825%0.249SC..Hα-helixtrans-72.1-38.6174.3-62.1174.511800111.4F201 R226 D229 P230 H235 L236F201-E232 HydrophobicContact CE1-CB 4.49Å; R226-E232 IonicContact CZ-OE1 2.75Å; R226-E232 IonicContact CZ-OE2 3.36Å; R226-E232 IonicContact NH1-OE1 2.73Å; R226-E232 IonicContact NH1-OE2 3.13Å; R226-E232 PolarHBondContact NH1-OE2 2.77Å; R226-E232 VanDerWaalsContact NH2-CD 3.29Å; R226-E232 IonicContact NH2-OE1 2.66Å; R226-E232 PolarHBondContact NH2-OE1 3.27Å; R226-E232 IonicContact NH2-OE2 3.33Å; R226-E232 PolarHBondContact NH2-OE2 2.72Å; D229-E232 HydrophobicContact CB-CG 4.13Å; D229-E232 PolarHBondContact N-OE2 3.14Å; D229-E232 VanDerWaalsContact O-CB 3.31Å; D229-E232 WeakPolarHBondContact O-CB 3.42Å; D229-E232 PolarHBondContact O-N 3.16Å; P230-E232 VanDerWaalsContact C-N 3.28Å; P230-E232 PolarHBondContact O-N 3Å; E232-H235 WeakPolarHBondContact O-CB 3.32Å; E232-H235 PolarHBondContact O-N 3.45Å; E232-L236 PolarHBondContact O-N 2.79Å
233Y98.9Very high98.2Very high0 Ų044.8 Ų44.80%024%0.24CC..Hα-helixtrans-62.1-48170.8175.1-82.6000110.2L22 T153 I196 P198 P230 H235 L236 V237L22-Y233 HydrophobicContact CB-CD1 3.85Å; L22-Y233 HydrophobicContact CB-CE1 4.08Å; L22-Y233 HydrophobicContact CB-CG 4.18Å; L22-Y233 HydrophobicContact CD1-CD2 3.94Å; L22-Y233 HydrophobicContact CD1-CE2 4.12Å; L22-Y233 HydrophobicContact CD1-CG 4.2Å; L22-Y233 HydrophobicContact CD2-CD1 4.44Å; L22-Y233 HydrophobicContact CD2-CD2 4.45Å; L22-Y233 HydrophobicContact CD2-CG 4Å; L22-Y233 HydrophobicContact CG-CG 4.35Å; T153-Y233 HydrophobicContact CG2-CE2 4.07Å; T153-Y233 PolarHBondContact OG1-OH 2.77Å; I196-Y233 HydrophobicContact CB-CE2 3.81Å; I196-Y233 HydrophobicContact CD1-CD2 4.3Å; I196-Y233 HydrophobicContact CD1-CE2 3.79Å; I196-Y233 HydrophobicContact CG1-CE2 4.41Å; I196-Y233 HydrophobicContact CG2-CD2 3.89Å; I196-Y233 HydrophobicContact CG2-CE2 3.64Å; P198-Y233 HydrophobicContact CG-CD2 3.86Å; P198-Y233 HydrophobicContact CG-CE2 3.82Å; P230-Y233 WeakPolarHBondContact O-CB 3.45Å; P230-Y233 PolarHBondContact O-N 2.71Å; Y233-H235 VanDerWaalsContact C-N 3.25Å; Y233-H235 PolarHBondContact O-N 2.92Å; Y233-L236 PolarHBondContact O-N 3.28Å; Y233-L236 VanDerWaalsContact O-N 3.09Å; Y233-V237 HydrophobicContact CD1-CG2 3.93Å; Y233-V237 HydrophobicContact CE1-CG2 3.38Å; Y233-V237 WeakPolarHBondContact O-CG2 3.4Å; Y233-V237 PolarHBondContact O-N 3.48Å
234A98.9Very high98.1Very high0 Ų040 Ų400%023%0.226CC..Hα-helixtrans-58.6-38.4176.800000112.1A25 R29 P230 A231 V237 Q238A25-A234 HydrophobicContact CB-CB 4.39Å; A25-A234 VanDerWaalsContact O-CB 3.29Å; A25-A234 WeakPolarHBondContact O-CB 3.49Å; R29-A234 HydrophobicContact CB-CB 3.85Å; R29-A234 VanDerWaalsContact CD-O 3.28Å; R29-A234 WeakPolarHBondContact CD-O 3.37Å; R29-A234 HydrophobicContact CG-CB 4.42Å; P230-A234 PolarHBondContact O-N 3.49Å; A231-A234 PolarHBondContact O-N 3.31Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 PolarHBondContact O-N 3.37Å; A234-Q238 PolarHBondContact O-N 3.47Å
235H98.9Very high98.1Very high102 Ų10246.8 Ų46.847%0.47225%0.251SS..Hα-helixtrans-61.5-45.4174.2-179.1-82.2000112.3R29 A231 E232 Y233 V237 Q238 A239R29-H235 PolarHBondContact NH2-CD2 2.87Å; A231-H235 WeakPolarHBondContact O-CB 3.38Å; A231-H235 PolarHBondContact O-N 2.94Å; E232-H235 WeakPolarHBondContact O-CB 3.32Å; E232-H235 PolarHBondContact O-N 3.45Å; Y233-H235 VanDerWaalsContact C-N 3.25Å; Y233-H235 PolarHBondContact O-N 2.92Å; H235-V237 VanDerWaalsContact C-N 3.32Å; H235-V237 PolarHBondContact O-N 2.84Å; H235-Q238 PolarHBondContact O-N 2.96Å; H235-A239 PolarHBondContact O-N 3.27Å
236L98.9Very high98.2Very high29 Ų2945.4 Ų45.415%0.15224%0.237CC..Hα-helixtrans-63.3-39175.7-179.358.9000111.8I196 E232 Y233 Q238 A239 I240 I251 L253I196-L236 HydrophobicContact CB-CD2 4.47Å; I196-L236 HydrophobicContact CD1-CB 4.26Å; I196-L236 HydrophobicContact CD1-CD2 3.88Å; I196-L236 HydrophobicContact CD1-CG 3.84Å; I196-L236 HydrophobicContact CG1-CD2 3.86Å; I196-L236 HydrophobicContact CG1-CG 4.21Å; I196-L236 HydrophobicContact CG2-CD2 3.81Å; E232-L236 PolarHBondContact O-N 2.79Å; Y233-L236 PolarHBondContact O-N 3.28Å; Y233-L236 VanDerWaalsContact O-N 3.09Å; L236-Q238 PolarHBondContact O-N 3.41Å; L236-A239 PolarHBondContact O-N 3Å; L236-I240 HydrophobicContact CD1-CD1 4.36Å; L236-I240 HydrophobicContact CD1-CG1 4.36Å; L236-I240 HydrophobicContact CG-CD1 4.13Å; L236-I240 WeakPolarHBondContact O-CG1 3.5Å; L236-I240 PolarHBondContact O-N 2.95Å; L236-I251 HydrophobicContact CD1-CD1 4.28Å; L236-I251 HydrophobicContact CD1-CG2 4.43Å; L236-I251 HydrophobicContact CD2-CB 4.35Å; L236-I251 HydrophobicContact CD2-CG2 3.88Å; L236-L253 HydrophobicContact CB-CD2 4.24Å; L236-L253 HydrophobicContact CD2-CB 3.98Å; L236-L253 HydrophobicContact CD2-CD1 4.38Å; L236-L253 HydrophobicContact CD2-CD2 3.95Å; L236-L253 HydrophobicContact CD2-CG 4.32Å
237V98.9Very high98.3Very high0 Ų043.8 Ų43.80%024%0.236CC..Hα-helixtrans-56.1-50.1172.71690000110.9T26 V89 I151 I196 Y233 A234 H235 A239 I240 I241T26-V237 HydrophobicContact CG2-CB 4.2Å; T26-V237 HydrophobicContact CG2-CG1 3.67Å; T26-V237 HydrophobicContact CG2-CG2 4.33Å; V89-V237 HydrophobicContact CG1-CG1 4.49Å; V89-V237 HydrophobicContact CG1-CG2 4.23Å; V89-V237 HydrophobicContact CG2-CG1 3.93Å; I151-V237 HydrophobicContact CD1-CB 4.49Å; I151-V237 HydrophobicContact CD1-CG1 3.83Å; I151-V237 HydrophobicContact CG2-CG2 4.37Å; I196-V237 HydrophobicContact CD1-CG2 3.69Å; Y233-V237 HydrophobicContact CD1-CG2 3.93Å; Y233-V237 HydrophobicContact CE1-CG2 3.38Å; Y233-V237 WeakPolarHBondContact O-CG2 3.4Å; Y233-V237 PolarHBondContact O-N 3.48Å; A234-V237 WeakPolarHBondContact O-CB 3.26Å; A234-V237 PolarHBondContact O-N 3.37Å; H235-V237 VanDerWaalsContact C-N 3.32Å; H235-V237 PolarHBondContact O-N 2.84Å; V237-A239 PolarHBondContact O-N 3.47Å; V237-I240 PolarHBondContact O-N 3.1Å; V237-I241 HydrophobicContact CG1-CD1 3.84Å; V237-I241 VanDerWaalsContact O-CG1 3.3Å; V237-I241 WeakPolarHBondContact O-CG1 3.32Å; V237-I241 PolarHBondContact O-N 3.38Å
238Q98.8Very high98.3Very high9 Ų943.1 Ų43.14%0.04224%0.236CC..Hα-helixtrans-58.6-47.4176177.1172.1-1.800111.6V8 L30 A234 H235 L236 I240 I241 E242V8-Q238 HydrophobicContact CG1-CG 3.86Å; L30-Q238 HydrophobicContact CD2-CB 4.4Å; A234-Q238 PolarHBondContact O-N 3.47Å; H235-Q238 PolarHBondContact O-N 2.96Å; L236-Q238 PolarHBondContact O-N 3.41Å; Q238-I240 PolarHBondContact O-N 2.72Å; Q238-I241 WeakPolarHBondContact O-CA 3.33Å; Q238-I241 WeakPolarHBondContact O-CB 3.5Å; Q238-I241 PolarHBondContact O-N 2.99Å; Q238-E242 HydrophobicContact CG-CG 4.04Å; Q238-E242 PolarHBondContact NE2-OE1 3.46Å; Q238-E242 WeakPolarHBondContact O-CG 3.32Å; Q238-E242 PolarHBondContact O-N 3.19Å
239A98.6Very high98.4Very high34 Ų3447.9 Ų47.928%0.28126%0.256SS..Hα-helixtrans-57.9-37.8179.900000112.6H235 L236 V237 E242 N243H235-A239 PolarHBondContact O-N 3.27Å; L236-A239 PolarHBondContact O-N 3Å; V237-A239 PolarHBondContact O-N 3.47Å; A239-E242 PolarHBondContact O-N 2.73Å; A239-N243 WeakPolarHBondContact O-CB 3.39Å; A239-N243 PolarHBondContact O-N 2.97Å
240I98.7Very high98.4Very high0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-67.4-38.4174.3-67.7167.3000111.7V149 I151 R192 M194 I196 L236 V237 Q238 E242 I251V149-I240 HydrophobicContact CG2-CG2 4.36Å; I151-I240 HydrophobicContact CD1-CB 3.92Å; I151-I240 HydrophobicContact CD1-CG2 3.66Å; I151-I240 HydrophobicContact CG1-CG2 3.84Å; I151-I240 HydrophobicContact CG2-CD1 4.38Å; R192-I240 PolarHBondContact NH1-O 3.3Å; R192-I240 PolarHBondContact NH2-O 2.79Å; M194-I240 HydrophobicContact CB-CD1 4.42Å; M194-I240 HydrophobicContact CB-CG2 3.78Å; M194-I240 HydrophobicContact CE-CD1 4.49Å; M194-I240 HydrophobicContact CG-CG2 3.66Å; I196-I240 HydrophobicContact CD1-CD1 3.83Å; I196-I240 HydrophobicContact CG1-CD1 3.71Å; L236-I240 HydrophobicContact CD1-CD1 4.36Å; L236-I240 HydrophobicContact CD1-CG1 4.36Å; L236-I240 HydrophobicContact CG-CD1 4.13Å; L236-I240 WeakPolarHBondContact O-CG1 3.5Å; L236-I240 PolarHBondContact O-N 2.95Å; V237-I240 PolarHBondContact O-N 3.1Å; Q238-I240 PolarHBondContact O-N 2.72Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-I251 HydrophobicContact CD1-CD1 4.26Å; I240-I251 HydrophobicContact CG1-CD1 4.33Å
241I98.6Very high98.5Very high1 Ų146.3 Ų46.31%0.00525%0.247CC..Hα-helixtrans-64.3-41.4177.8-66.8162.6000110.6R6 V8 L11 L30 V87 V149 I151 R192 V237 Q238R6-I241 PolarHBondContact NE-O 2.99Å; V8-I241 HydrophobicContact CG1-CB 4.22Å; V8-I241 HydrophobicContact CG1-CD1 4.47Å; V8-I241 HydrophobicContact CG1-CG2 3.76Å; L11-I241 HydrophobicContact CD1-CG2 3.68Å; L30-I241 HydrophobicContact CD1-CD1 4.08Å; L30-I241 HydrophobicContact CD2-CD1 3.85Å; V87-I241 HydrophobicContact CG1-CD1 3.76Å; V87-I241 HydrophobicContact CG1-CG1 4.05Å; V87-I241 HydrophobicContact CG2-CD1 4.05Å; V87-I241 HydrophobicContact CG2-CG1 4.14Å; V87-I241 HydrophobicContact CG2-CG2 4.13Å; V149-I241 HydrophobicContact CG1-CG1 4Å; V149-I241 HydrophobicContact CG1-CG2 4.48Å; I151-I241 HydrophobicContact CD1-CD1 4.44Å; I151-I241 HydrophobicContact CD1-CG1 3.84Å; R192-I241 PolarHBondContact NH2-O 3.48Å; V237-I241 HydrophobicContact CG1-CD1 3.84Å; V237-I241 VanDerWaalsContact O-CG1 3.3Å; V237-I241 WeakPolarHBondContact O-CG1 3.32Å; V237-I241 PolarHBondContact O-N 3.38Å; Q238-I241 WeakPolarHBondContact O-CA 3.33Å; Q238-I241 WeakPolarHBondContact O-CB 3.5Å; Q238-I241 PolarHBondContact O-N 2.99Å
242E97.9Very high98.5Very high52 Ų5246.7 Ų46.724%0.24324%0.237CC..Hα-helixtrans-81.6-33.7-172.7-63.2-176.1156.800113.3C5 R6 V8 Q238 A239 I240 P244C5-E242 VanDerWaalsContact CA-O 3.29Å; C5-E242 WeakPolarHBondContact CA-O 3.23Å; C5-E242 WeakPolarHBondContact CB-O 3.48Å; R6-E242 PolarHBondContact N-O 3.2Å; R6-E242 WeakPolarHBondContact O-CA 3.48Å; R6-E242 VanDerWaalsContact O-CB 3.3Å; R6-E242 WeakPolarHBondContact O-CB 3.24Å; R6-E242 WeakPolarHBondContact O-CG 3.2Å; V8-E242 HydrophobicContact CG1-CG 4.01Å; Q238-E242 HydrophobicContact CG-CG 4.04Å; Q238-E242 PolarHBondContact NE2-OE1 3.46Å; Q238-E242 WeakPolarHBondContact O-CG 3.32Å; Q238-E242 PolarHBondContact O-N 3.19Å; A239-E242 PolarHBondContact O-N 2.73Å; I240-E242 VanDerWaalsContact C-N 3.33Å; E242-P244 WeakPolarHBondContact O-CD 3.16Å
243N97.6Very high98.5Very high64 Ų6445.7 Ų45.734%0.34223%0.234SC..  trans-87.9108.8178.1-171.4-31.3000111R192 A239 F245 I246R192-N243 PolarHBondContact NH1-O 2.85Å; A239-N243 WeakPolarHBondContact O-CB 3.39Å; A239-N243 PolarHBondContact O-N 2.97Å; N243-F245 VanDerWaalsContact C-N 3.25Å; N243-F245 PolarHBondContact O-N 3.38Å; N243-F245 PolarHBondContact OD1-N 2.85Å; N243-I246 HydrophobicContact CB-CD1 3.85Å; N243-I246 HydrophobicContact CB-CG1 3.96Å
244P96.1Very high98.5Very high68 Ų6846.8 Ų46.844%0.44224%0.24SC..THydrogen-bonded Turntrans-74.7-12.7-173.332.6-37.8000113.6A4 R192 E242A4-P244 VanDerWaalsContact O-CD 3.31Å; A4-P244 WeakPolarHBondContact O-CD 3.37Å; A4-P244 WeakPolarHBondContact O-CG 3.31Å; R192-P244 WeakPolarHBondContact CD-O 3.32Å; E242-P244 WeakPolarHBondContact O-CD 3.16Å
245F97.3Very high98.4Very high189 Ų18947.9 Ų47.983%0.82925%0.251SS*.THydrogen-bonded Turntrans-90-12.1-173.9-151.3-110000113.5N243 N247N243-F245 VanDerWaalsContact C-N 3.25Å; N243-F245 PolarHBondContact O-N 3.38Å; N243-F245 PolarHBondContact OD1-N 2.85Å; F245-N247 PolarHBondContact O-N 3.35Å
246I98.1Very high98.4Very high45 Ų4546 Ų4623%0.23125%0.254CS..  trans-83.2110.6179-42.4-178.5000109R192 M194 N243 I251R192-I246 WeakPolarHBondContact CD-O 3.22Å; R192-I246 PolarHBondContact NH1-O 3.26Å; M194-I246 HydrophobicContact CE-CB 4.49Å; M194-I246 HydrophobicContact CE-CG2 3.27Å; M194-I246 HydrophobicContact CG-CG2 4.31Å; M194-I246 HydrophobicContact SD-CB 4.34Å; M194-I246 HydrophobicContact SD-CG2 3.52Å; M194-I246 VanDerWaalsContact SD-CG2 3.52Å; N243-I246 HydrophobicContact CB-CD1 3.85Å; N243-I246 HydrophobicContact CB-CG1 3.96Å; I246-I251 HydrophobicContact CG2-CD1 4.31Å
247N98.9Very high98.4Very high65 Ų6544.9 Ų44.935%0.34825%0.247SC..  trans-150.5144.3-179.7-167.322.5000111.3R192 V193 M194 F245 E249R192-N247 VanDerWaalsContact CA-OD1 3.31Å; R192-N247 WeakPolarHBondContact CA-OD1 3.41Å; R192-N247 HydrophobicContact CB-CB 4.42Å; R192-N247 HydrophobicContact CG-CB 4.14Å; V193-N247 PolarHBondContact N-OD1 2.76Å; V193-N247 PolarHBondContact O-OD1 3.02Å; M194-N247 VanDerWaalsContact SD-CA 3.57Å; F245-N247 PolarHBondContact O-N 3.35Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 3.38Å
248G98.8Very high98.3Very high15 Ų1551 Ų5116%0.15527%0.27CS..SBendtrans70.918.9173.200000115.5V193V193-G248 WeakPolarHBondContact O-CA 3.49Å; V193-G248 PolarHBondContact O-N 3.4Å
249E98.9Very high98.1Very high111 Ų11151.8 Ų51.852%0.51927%0.274SS..  trans-121.8158-172.1-177.857.2-100.400112.5M194 T195 N247M194-E249 HydrophobicContact CE-CB 3.88Å; M194-E249 VanDerWaalsContact CE-O 3.24Å; M194-E249 WeakPolarHBondContact CE-O 3.44Å; M194-E249 HydrophobicContact SD-CB 3.99Å; T195-E249 PolarHBondContact N-O 3.46Å; N247-E249 VanDerWaalsContact C-N 3.31Å; N247-E249 PolarHBondContact O-N 3.38Å
250V98.9Very high97.9Very high25 Ų2555.8 Ų55.815%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-111.8116.5172.9-173.20000110.7F159 V176 T195 A197F159-V250 HydrophobicContact CE2-CG1 4.42Å; F159-V250 HydrophobicContact CZ-CG1 3.91Å; V176-V250 HydrophobicContact CB-CG2 4.37Å; V176-V250 HydrophobicContact CG1-CG2 4.06Å; V176-V250 HydrophobicContact CG2-CG1 4.21Å; V176-V250 HydrophobicContact CG2-CG2 4.14Å; T195-V250 HydrophobicContact CG2-CG1 3.98Å; T195-V250 HydrophobicContact CG2-CG2 4.25Å; T195-V250 CarbonylContact O-C 3.56Å; T195-V250 VanDerWaalsContact O-CA 3.26Å; T195-V250 WeakPolarHBondContact O-CA 3.45Å; A197-V250 HydrophobicContact CB-CG1 3.82Å
251I98.9Very high97.5Very high46 Ų4662 Ų6224%0.23633%0.327CS..EExtended strand (participates in β ladder)trans-98.7118.4178.3-57.4175.5000109.8M194 T195 I196 A197 L236 I240 I246M194-I251 HydrophobicContact CE-CD1 3.8Å; M194-I251 HydrophobicContact CE-CG1 3.94Å; T195-I251 PolarHBondContact O-N 3.33Å; I196-I251 CarbonylContact C-O 3.39Å; I196-I251 WeakPolarHBondContact CA-O 3.47Å; A197-I251 PolarHBondContact N-O 2.86Å; L236-I251 HydrophobicContact CD1-CD1 4.28Å; L236-I251 HydrophobicContact CD1-CG2 4.43Å; L236-I251 HydrophobicContact CD2-CB 4.35Å; L236-I251 HydrophobicContact CD2-CG2 3.88Å; I240-I251 HydrophobicContact CD1-CD1 4.26Å; I240-I251 HydrophobicContact CG1-CD1 4.33Å; I246-I251 HydrophobicContact CG2-CD1 4.31Å
252R98.9Very high97.4Very high58 Ų5865 Ų6522%0.21934%0.344CS..EExtended strand (participates in β ladder)trans-71.8131.3168.1-65.3-178.469.4113.3-1.1110V156 F159 E160 A197 D254 I257V156-R252 VanDerWaalsContact CG1-NH2 3.28Å; F159-R252 HydrophobicContact CE2-CG 4.14Å; E160-R252 IonicContact OE1-CZ 3.6Å; E160-R252 IonicContact OE1-NH1 3.74Å; E160-R252 PolarHBondContact OE1-NH1 2.81Å; E160-R252 IonicContact OE1-NH2 2.73Å; E160-R252 IonicContact OE2-CZ 3.61Å; E160-R252 VanDerWaalsContact OE2-CZ 3.22Å; E160-R252 IonicContact OE2-NH1 2.99Å; E160-R252 PolarHBondContact OE2-NH1 3.29Å; E160-R252 IonicContact OE2-NH2 3.18Å; E160-R252 PolarHBondContact OE2-NH2 3.14Å; A197-R252 HydrophobicContact CB-CG 4.41Å; A197-R252 WeakPolarHBondContact O-CA 3.31Å; R252-D254 IonicContact CZ-OD2 2.66Å; R252-D254 IonicContact NE-OD2 3.58Å; R252-D254 PolarHBondContact NE-OD2 3.42Å; R252-D254 IonicContact NH2-OD2 2.77Å; R252-D254 PolarHBondContact NH2-OD2 3.24Å; R252-I257 PolarHBondContact NH2-O 2.9Å
253L98.8Very high97.4Very high46 Ų4665.7 Ų65.724%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-12888.9173.8-178.167.2000107.9I196 A197 P198 G199 F201 L236I196-L253 HydrophobicContact CG2-CB 4.15Å; A197-L253 PolarHBondContact O-N 3.42Å; A197-L253 VanDerWaalsContact O-N 3.07Å; P198-L253 WeakPolarHBondContact CA-O 3.35Å; G199-L253 PolarHBondContact N-O 3.19Å; F201-L253 HydrophobicContact CE1-CD2 4.35Å; F201-L253 HydrophobicContact CE2-CD2 4.48Å; F201-L253 HydrophobicContact CE2-CG 4.43Å; F201-L253 WeakPolarHBondContact CE2-O 3.35Å; F201-L253 HydrophobicContact CZ-CD2 3.61Å; F201-L253 HydrophobicContact CZ-CG 3.83Å; L236-L253 HydrophobicContact CB-CD2 4.24Å; L236-L253 HydrophobicContact CD2-CB 3.98Å; L236-L253 HydrophobicContact CD2-CD1 4.38Å; L236-L253 HydrophobicContact CD2-CD2 3.95Å; L236-L253 HydrophobicContact CD2-CG 4.32Å
254D98.5Very high97.4Very high23 Ų2365.8 Ų65.812%0.12335%0.349CS..SBendtrans-150.37.5-158.772.3-2.6000116V156 R252 A256 I257 R258V156-D254 HydrophobicContact CG1-CB 3.64Å; V156-D254 WeakPolarHBondContact CG1-OD2 3.3Å; R252-D254 IonicContact CZ-OD2 2.66Å; R252-D254 IonicContact NE-OD2 3.58Å; R252-D254 PolarHBondContact NE-OD2 3.42Å; R252-D254 IonicContact NH2-OD2 2.77Å; R252-D254 PolarHBondContact NH2-OD2 3.24Å; D254-A256 PolarHBondContact O-N 2.79Å; D254-A256 WeakPolarHBondContact OD1-CA 3.28Å; D254-A256 PolarHBondContact OD1-N 3.14Å; D254-I257 HydrophobicContact CB-CG2 3.78Å; D254-I257 WeakPolarHBondContact O-CG2 3.29Å; D254-I257 PolarHBondContact O-N 2.89Å; D254-R258 IonicContact OD2-NH1 3.48Å
255G98.4Very high97.5Very high24 Ų2465.6 Ų65.625%0.24734%0.344CS..THydrogen-bonded Turntrans60.427.8-178.400000113.7P222 F223 I257P222-G255 VanDerWaalsContact CD-O 3.26Å; P222-G255 WeakPolarHBondContact CD-O 3.23Å; F223-G255 PolarHBondContact N-O 3.16Å; F223-G255 CarbonylContact O-C 3.39Å; F223-G255 VanDerWaalsContact O-CA 3.26Å; F223-G255 WeakPolarHBondContact O-CA 3.36Å; F223-G255 VanDerWaalsContact O-O 3.13Å; G255-I257 VanDerWaalsContact C-N 3.29Å; G255-I257 PolarHBondContact O-N 3.34Å
256A98.5Very high97.5Very high63 Ų6357.9 Ų57.952%0.52131%0.313SS..THydrogen-bonded Turntrans6814.8-176.900000115.7P222 D254P222-A256 HydrophobicContact CB-CB 4.44Å; P222-A256 HydrophobicContact CG-CB 4.36Å; D254-A256 PolarHBondContact O-N 2.79Å; D254-A256 WeakPolarHBondContact OD1-CA 3.28Å; D254-A256 PolarHBondContact OD1-N 3.14Å
257I98.1Very high97.4Very high4 Ų458.8 Ų58.82%0.02132%0.319CS..  trans-62.6144.9178.1-164.8167.8000112L200 Q220 V221 R252 D254 G255 M259L200-I257 HydrophobicContact CD1-CD1 3.81Å; L200-I257 HydrophobicContact CG-CD1 4.35Å; Q220-I257 HydrophobicContact CB-CD1 3.8Å; V221-I257 HydrophobicContact CG2-CD1 3.98Å; R252-I257 PolarHBondContact NH2-O 2.9Å; D254-I257 HydrophobicContact CB-CG2 3.78Å; D254-I257 WeakPolarHBondContact O-CG2 3.29Å; D254-I257 PolarHBondContact O-N 2.89Å; G255-I257 VanDerWaalsContact C-N 3.29Å; G255-I257 PolarHBondContact O-N 3.34Å; I257-M259 HydrophobicContact CD1-SD 3.6Å; I257-M259 VanDerWaalsContact CD1-SD 3.6Å; I257-M259 HydrophobicContact CG1-SD 3.98Å; I257-M259 HydrophobicContact CG2-SD 4.32Å
258R98.1Very high97.3Very high128 Ų12858.4 Ų58.448%0.48332%0.317SS..  trans-127115.4163.8-65.5-64180-82.7-1.4108E160 D254 Q260E160-R258 IonicContact OE1-NE 2.74Å; D254-R258 IonicContact OD2-NH1 3.48Å; R258-Q260 PolarHBondContact O-N 3.48Å; R258-Q260 PolarHBondContact O-NE2 3.3Å
259M94.6Very high97.2Very high26 Ų2661.7 Ų61.713%0.12833%0.329CS..  trans-67.6128.5-170.4-56.9-59.6-6500110.5V156 E160 Q162 L200 I257V156-M259 HydrophobicContact CG2-CG 3.87Å; V156-M259 HydrophobicContact CG2-SD 4.24Å; E160-M259 HydrophobicContact CB-CB 4.05Å; E160-M259 VanDerWaalsContact O-CB 3.32Å; E160-M259 WeakPolarHBondContact O-CB 3.22Å; Q162-M259 HydrophobicContact CG-CB 3.83Å; Q162-M259 HydrophobicContact CG-CE 4.07Å; L200-M259 HydrophobicContact CD2-CE 4.18Å; I257-M259 HydrophobicContact CD1-SD 3.6Å; I257-M259 VanDerWaalsContact CD1-SD 3.6Å; I257-M259 HydrophobicContact CG1-SD 3.98Å; I257-M259 HydrophobicContact CG2-SD 4.32Å
260Q93.7Very high97.1Very high119 Ų11957.6 Ų57.656%0.55631%0.314SS*.  trans-83.7157.9174.7-59.1-58.4-6000110.5Q162 R258Q162-Q260 WeakPolarHBondContact CG-O 3.22Å; Q162-Q260 PolarHBondContact NE2-O 3.24Å; R258-Q260 PolarHBondContact O-N 3.48Å; R258-Q260 PolarHBondContact O-NE2 3.3Å
261P89.9Confident96.9Very high129 Ų12960.5 Ų60.584%0.83833%0.328SS*.  trans-51.40179.8-28.736.5000115.6V163V163-P261 VanDerWaalsContact CB-OXT 3.32Å; V163-P261 WeakPolarHBondContact CB-OXT 3.39Å; V163-P261 HydrophobicContact CG2-CB 4.28Å; V163-P261 WeakPolarHBondContact CG2-OXT 3.42Å; V163-P261 PolarHBondContact N-OXT 2.58Å

Retrieved 261 of 261 residues in 132.7 ms (Link to these results)

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