A0A096NBK4_PAPAN Loading...

3-hydroxyacyl-CoA dehydrogenase type-2

AlphaFold DB (A0A2K5ZGZ9), UniProt , Accession A0A096NBK4, Species PAPAN (Papio anubis, Olive baboon), 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
1M47.4Very low80.2Confident244 Ų24483.9 Ų83.9100%1.20253%0.525SS*.  0129.20-69.2-177.9-166.500107.1
2A53.5Low81.8Confident65 Ų6577.3 Ų77.354%0.53748%0.483SS..  trans-61.9148.617100000109.5A4A2-A4 PolarHBondContact O-N 3.5Å
3A61.5Low83.1Confident85 Ų8571.4 Ų71.470%0.70245%0.447SS*.  trans-59.1133.8178.800000109.8C5A3-C5 WeakPolarHBondContact CB-O 3.48Å; A3-C5 PolarHBondContact O-N 3.36Å
4A74.3Confident84.2Confident87 Ų8766.4 Ų66.472%0.71942%0.415SS*.SBendtrans-64.2-22.4179.400000112.8A2 P244A2-A4 PolarHBondContact O-N 3.5Å; A4-P244 WeakPolarHBondContact O-CD 3.31Å; A4-P244 VanDerWaalsContact O-CG 3.27Å; A4-P244 WeakPolarHBondContact O-CG 3.46Å
5C79.4Confident85.2Confident70 Ų7061.9 Ų61.947%0.47339%0.388SS..SBendtrans-110.4134.8172.4-60.90000109.7A3 E242A3-C5 WeakPolarHBondContact CB-O 3.48Å; A3-C5 PolarHBondContact O-N 3.36Å; C5-E242 VanDerWaalsContact CA-O 3.31Å; C5-E242 WeakPolarHBondContact CA-O 3.5Å; C5-E242 WeakPolarHBondContact CB-O 3.26Å
6R84.4Confident86.1Confident55 Ų5558.3 Ų58.321%0.20837%0.365CS..  trans-88.3153.717870-177.9-172.5163.412.2111.3D142 I241 E242R6-D142 IonicContact NH1-OD2 3.66Å; R6-I241 PolarHBondContact NE-O 3.28Å; R6-I241 VanDerWaalsContact NE-O 3.11Å; R6-E242 PolarHBondContact N-O 3.23Å; R6-E242 WeakPolarHBondContact O-CB 3.21Å; R6-E242 WeakPolarHBondContact O-CG 3.49Å
7S92.1Very high86.8Confident78 Ų7855.4 Ų55.455%0.54535%0.349SS..  trans-82.1151.4169.5179.60000110.8K9S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact OG-N 3.14Å
8V96.8Very high87.4Confident2 Ų252.3 Ų52.31%0.01233%0.329CS..  trans-77.5-10.7171.7-58.20000114G10 L11 L30 Q33 A35 Q238 I241 E242V8-G10 PolarHBondContact O-N 3.24Å; V8-L11 HydrophobicContact CB-CD1 4.45Å; V8-L11 WeakPolarHBondContact O-CB 3.46Å; V8-L11 WeakPolarHBondContact O-CG 3.37Å; V8-L11 PolarHBondContact O-N 3.39Å; V8-L11 VanDerWaalsContact O-N 3.1Å; V8-L30 HydrophobicContact CB-CD2 4.37Å; V8-L30 HydrophobicContact CG1-CD2 4.18Å; V8-L30 HydrophobicContact CG2-CD2 4.44Å; V8-Q33 HydrophobicContact CG2-CB 3.35Å; V8-Q33 HydrophobicContact CG2-CG 4.26Å; V8-A35 WeakPolarHBondContact O-CB 3.37Å; V8-Q238 HydrophobicContact CG1-CG 3.91Å; V8-I241 HydrophobicContact CG1-CB 4.19Å; V8-I241 HydrophobicContact CG1-CD1 4.47Å; V8-I241 HydrophobicContact CG1-CG2 3.78Å; V8-E242 HydrophobicContact CG1-CG 3.98Å
9K97.8Very high87.9Confident159 Ų15949.8 Ų49.869%0.69131%0.314SS*.THydrogen-bonded Turntrans-59127.3-178.6-176.1179.1179.7-179.80110.9S7 L11S7-K9 VanDerWaalsContact C-N 3.28Å; S7-K9 PolarHBondContact OG-N 3.14Å; K9-L11 VanDerWaalsContact C-N 3.27Å; K9-L11 PolarHBondContact O-N 3.29Å
10G97.1Very high88.4Confident55 Ų5550.3 Ų50.357%0.56732%0.319SS*.THydrogen-bonded Turntrans80.3-2.7-179.900000115.2V8 G34V8-G10 PolarHBondContact O-N 3.24Å; G10-G34 PolarHBondContact N-O 2.85Å
11L98.3Very high88.8Confident23 Ų2348.4 Ų48.412%0.1231%0.31CS..  trans-74.4150.8173-60.6-173.3000111V8 K9 A35 S36 D86 V87 I241V8-L11 HydrophobicContact CB-CD1 4.45Å; V8-L11 WeakPolarHBondContact O-CB 3.46Å; V8-L11 WeakPolarHBondContact O-CG 3.37Å; V8-L11 PolarHBondContact O-N 3.39Å; V8-L11 VanDerWaalsContact O-N 3.1Å; K9-L11 VanDerWaalsContact C-N 3.27Å; K9-L11 PolarHBondContact O-N 3.29Å; L11-A35 CarbonylContact O-C 3.4Å; L11-A35 WeakPolarHBondContact O-CA 3.31Å; L11-A35 WeakPolarHBondContact O-CB 3.49Å; L11-S36 PolarHBondContact O-N 2.76Å; L11-D86 HydrophobicContact CB-CB 4.15Å; L11-D86 HydrophobicContact CD2-CB 4.03Å; L11-V87 HydrophobicContact CD1-CG2 4.25Å; L11-I241 HydrophobicContact CD1-CG2 3.62Å
12V98.8Very high91.2Very high4 Ų438 Ų382%0.02426%0.258CS..EExtended strand (participates in β ladder)trans-107.2118.9175.1-172.40000110.3F82 R84 D86 V87V12-F82 HydrophobicContact CB-CB 4.3Å; V12-F82 HydrophobicContact CG1-CB 3.77Å; V12-F82 HydrophobicContact CG1-CD2 3.7Å; V12-F82 HydrophobicContact CG1-CG 4.08Å; V12-F82 HydrophobicContact CG2-CB 3.5Å; V12-F82 HydrophobicContact CG2-CG 4.33Å; V12-R84 WeakPolarHBondContact CB-O 3.38Å; V12-R84 VanDerWaalsContact CG1-O 3.29Å; V12-R84 WeakPolarHBondContact CG1-O 3.45Å; V12-R84 HydrophobicContact CG2-CG 3.88Å; V12-D86 PolarHBondContact N-OD2 3.23Å; V12-D86 PolarHBondContact O-N 3.32Å; V12-V87 PolarHBondContact O-N 3.47Å
13A98.9Very high93.3Very high1 Ų134.9 Ų34.91%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-108.9126.7-179.600000112.2I15 L30 S36 A37 V38 V87A13-I15 HydrophobicContact CB-CD1 4.28Å; A13-I15 HydrophobicContact CB-CG1 4.21Å; A13-L30 HydrophobicContact CB-CD1 3.86Å; A13-S36 PolarHBondContact N-O 2.84Å; A13-A37 CarbonylContact O-C 3.32Å; A13-A37 VanDerWaalsContact O-CA 3.31Å; A13-A37 WeakPolarHBondContact O-CA 3.35Å; A13-V38 PolarHBondContact O-N 2.89Å; A13-V87 CarbonylContact C-O 3.5Å; A13-V87 WeakPolarHBondContact CA-O 3.41Å; A13-V87 HydrophobicContact CB-CB 3.93Å; A13-V87 HydrophobicContact CB-CG1 4.29Å
14V98.9Very high95.1Very high1 Ų131.7 Ų31.71%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-95.5123.2165.7176.80000108.1V38 L40 L75 A78 V85 V87 A88 V89V14-V38 HydrophobicContact CG2-CB 4.18Å; V14-V38 HydrophobicContact CG2-CG2 4.5Å; V14-L40 HydrophobicContact CG1-CB 4.4Å; V14-L40 HydrophobicContact CG1-CD1 4.25Å; V14-L75 HydrophobicContact CG1-CD2 4.46Å; V14-L75 HydrophobicContact CG2-CD2 4.05Å; V14-A78 HydrophobicContact CG2-CB 4.06Å; V14-V85 HydrophobicContact CB-CG1 4.5Å; V14-V85 HydrophobicContact CG2-CG1 3.8Å; V14-V85 HydrophobicContact CG2-CG2 4.11Å; V14-V87 PolarHBondContact N-O 3.32Å; V14-A88 CarbonylContact O-C 3.54Å; V14-A88 WeakPolarHBondContact O-CA 3.26Å; V14-V89 PolarHBondContact O-N 3Å
15I98.9Very high96.2Very high0 Ų029 Ų290%018%0.178CC..EExtended strand (participates in β ladder)trans-124.9110.1-172.5-57168.5000109A13 G18 G23 T26 A27 L30 A37 V38 L40 V89A13-I15 HydrophobicContact CB-CD1 4.28Å; A13-I15 HydrophobicContact CB-CG1 4.21Å; I15-G18 PolarHBondContact O-N 2.98Å; I15-G23 WeakPolarHBondContact CG2-O 3.31Å; I15-T26 HydrophobicContact CD1-CG2 4.11Å; I15-A27 HydrophobicContact CD1-CB 3.64Å; I15-L30 HydrophobicContact CD1-CD1 4.27Å; I15-A37 HydrophobicContact CD1-CB 4.31Å; I15-V38 PolarHBondContact N-O 3.27Å; I15-L40 PolarHBondContact O-N 2.95Å; I15-V89 WeakPolarHBondContact CA-O 3.36Å; I15-V89 HydrophobicContact CG1-CB 4.2Å; I15-V89 HydrophobicContact CG1-CG2 4.24Å; I15-V89 HydrophobicContact CG2-CB 4.3Å
16T98.9Very high97.2Very high3 Ų325.6 Ų25.62%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-81.3145.8177.577.60000111.1G18 L40 V65 V89 N90 C91 A92 V128T16-G18 PolarHBondContact O-N 2.93Å; T16-L40 CarbonylContact C-O 3.47Å; T16-L40 WeakPolarHBondContact CA-O 3.19Å; T16-L40 HydrophobicContact CG2-CB 4.28Å; T16-L40 HydrophobicContact CG2-CD1 4.22Å; T16-L40 HydrophobicContact CG2-CD2 4.19Å; T16-L40 HydrophobicContact CG2-CG 4.47Å; T16-V65 HydrophobicContact CG2-CG1 4.03Å; T16-V89 PolarHBondContact N-O 2.85Å; T16-N90 WeakPolarHBondContact OG1-CA 3.31Å; T16-C91 CarbonylContact O-C 3.57Å; T16-C91 WeakPolarHBondContact O-CA 3.44Å; T16-C91 WeakPolarHBondContact O-CB 3.42Å; T16-C91 PolarHBondContact O-N 2.88Å; T16-C91 PolarHBondContact OG1-N 2.85Å; T16-C91 VanDerWaalsContact OG1-N 3.17Å; T16-A92 PolarHBondContact O-N 2.98Å; T16-A92 WeakPolarHBondContact OG1-CB 3.4Å; T16-A92 PolarHBondContact OG1-N 2.69Å; T16-A92 VanDerWaalsContact OG1-N 3.12Å; T16-V128 HydrophobicContact CG2-CG1 4.04Å; T16-V128 HydrophobicContact CG2-CG2 3.91Å
17G98.3Very high97.8Very high9 Ų923 Ų239%0.09315%0.146CC..THydrogen-bonded Turntrans6723.9-167.700000111.5A19 S20 L40 D41G17-A19 PolarHBondContact O-N 3.07Å; G17-S20 PolarHBondContact O-N 2.91Å; G17-S20 VanDerWaalsContact O-O 3.09Å; G17-L40 PolarHBondContact N-O 3.49Å; G17-D41 WeakPolarHBondContact CA-OD2 3.47Å
18G98Very high98.2Very high0 Ų023.3 Ų23.30%014%0.139CC..THydrogen-bonded Turntrans-71-8.4-171.600000114.5I15 T16 L24 L40 D41I15-G18 PolarHBondContact O-N 2.98Å; T16-G18 PolarHBondContact O-N 2.93Å; G18-L24 VanDerWaalsContact O-CA 3.31Å; G18-L24 WeakPolarHBondContact O-CA 3.33Å; G18-L24 WeakPolarHBondContact O-CB 3.27Å; G18-L40 PolarHBondContact N-O 3.27Å; G18-D41 PolarHBondContact N-OD2 3.19Å
19A97.7Very high98.3Very high5 Ų526.7 Ų26.74%0.04115%0.151CC..THydrogen-bonded Turntrans-86.4-10.818000000113.5G17 D41 S45G17-A19 PolarHBondContact O-N 3.07Å; A19-D41 HydrophobicContact CB-CB 3.79Å; A19-D41 VanDerWaalsContact CB-OD2 3.23Å; A19-D41 WeakPolarHBondContact CB-OD2 3.23Å; A19-D41 PolarHBondContact N-OD2 3.1Å; A19-S45 VanDerWaalsContact CB-OG 3.31Å; A19-S45 WeakPolarHBondContact CB-OG 3.43Å
20S96.6Very high98.3Very high60 Ų6019.2 Ų19.242%0.4212%0.119SC..SBendtrans-151.8168.1-177.675.40000114.3G17 L22 G23 L24G17-S20 PolarHBondContact O-N 2.91Å; G17-S20 VanDerWaalsContact O-O 3.09Å; S20-L22 PolarHBondContact O-N 2.84Å; S20-G23 PolarHBondContact O-N 3.46Å; S20-L24 PolarHBondContact O-N 2.82Å; S20-L24 VanDerWaalsContact O-N 3.12Å
21G96.2Very high98.4Very high11 Ų1117.4 Ų17.411%0.11310%0.097CC..Hα-helixtrans53.1-131.6167.200000114.3G23 V25G21-G23 PolarHBondContact O-N 3.3Å; G21-V25 WeakPolarHBondContact O-CG2 3.42Å; G21-V25 PolarHBondContact O-N 3.07Å
22L98.3Very high98.4Very high24 Ų2419.3 Ų19.313%0.12612%0.122CC..Hα-helixtrans-64.3-37.8-176.1-57.7-179.1000112.7S20 T26 T153 P198 F201 T203 P230 Y233S20-L22 PolarHBondContact O-N 2.84Å; L22-T26 WeakPolarHBondContact O-CB 3.47Å; L22-T26 PolarHBondContact O-N 3.37Å; L22-T26 PolarHBondContact O-OG1 3.1Å; L22-T153 HydrophobicContact CD1-CG2 4.25Å; L22-P198 HydrophobicContact CD1-CG 4.08Å; L22-F201 HydrophobicContact CD2-CB 4.12Å; L22-F201 HydrophobicContact CD2-CD1 3.85Å; L22-F201 HydrophobicContact CD2-CG 4.06Å; L22-T203 HydrophobicContact CD2-CG2 3.95Å; L22-T203 HydrophobicContact CG-CG2 3.94Å; L22-P230 HydrophobicContact CD2-CB 4.02Å; L22-P230 HydrophobicContact CD2-CG 4.33Å; L22-Y233 HydrophobicContact CB-CD1 3.87Å; L22-Y233 HydrophobicContact CB-CE1 4.07Å; L22-Y233 HydrophobicContact CB-CG 4.27Å; L22-Y233 HydrophobicContact CD1-CD2 3.98Å; L22-Y233 HydrophobicContact CD1-CE2 4.15Å; L22-Y233 HydrophobicContact CD1-CG 4.2Å; L22-Y233 HydrophobicContact CD2-CD1 4.37Å; L22-Y233 HydrophobicContact CD2-CD2 4.5Å; L22-Y233 HydrophobicContact CD2-CG 4Å; L22-Y233 HydrophobicContact CG-CD1 4.47Å; L22-Y233 HydrophobicContact CG-CG 4.38Å
23G98.5Very high98.4Very high1 Ų123.8 Ų23.81%0.0114%0.143CC..Hα-helixtrans-67-47.8-179.400000111.8I15 S20 G21 V25 T26 A27I15-G23 WeakPolarHBondContact CG2-O 3.31Å; S20-G23 PolarHBondContact O-N 3.46Å; G21-G23 PolarHBondContact O-N 3.3Å; G23-V25 PolarHBondContact O-N 3.24Å; G23-T26 WeakPolarHBondContact O-CB 3.48Å; G23-T26 PolarHBondContact O-N 3.08Å; G23-A27 PolarHBondContact O-N 3.12Å
24L98.6Very high98.3Very high17 Ų1725.1 Ų25.19%0.08916%0.157CC..Hα-helixtrans-60.4-47.9178.1177.259.9000112.3G18 S20 T26 A27 E28 Q50 L54G18-L24 VanDerWaalsContact O-CA 3.31Å; G18-L24 WeakPolarHBondContact O-CA 3.33Å; G18-L24 WeakPolarHBondContact O-CB 3.27Å; S20-L24 PolarHBondContact O-N 2.82Å; S20-L24 VanDerWaalsContact O-N 3.12Å; L24-T26 PolarHBondContact O-N 3.32Å; L24-A27 WeakPolarHBondContact O-CA 3.19Å; L24-A27 WeakPolarHBondContact O-CB 3.36Å; L24-A27 PolarHBondContact O-N 3.01Å; L24-E28 HydrophobicContact CD1-CG 4.46Å; L24-E28 PolarHBondContact O-N 3.43Å; L24-Q50 HydrophobicContact CD1-CB 3.75Å; L24-Q50 HydrophobicContact CD1-CG 4Å; L24-Q50 HydrophobicContact CD2-CG 4.07Å; L24-L54 HydrophobicContact CD1-CD1 4.48Å
25V98.6Very high98.3Very high30 Ų3025.1 Ų25.118%0.18216%0.157CC..Hα-helixtrans-68.7-28-178.8179.50000111.5G21 G23 R29 P230 A231 A234G21-V25 WeakPolarHBondContact O-CG2 3.42Å; G21-V25 PolarHBondContact O-N 3.07Å; G23-V25 PolarHBondContact O-N 3.24Å; V25-R29 WeakPolarHBondContact O-CB 3.32Å; V25-R29 PolarHBondContact O-N 2.98Å; V25-R29 VanDerWaalsContact O-N 3.07Å; V25-P230 HydrophobicContact CB-CB 3.78Å; V25-P230 HydrophobicContact CG1-CB 3.98Å; V25-P230 HydrophobicContact CG2-CB 3.72Å; V25-A231 HydrophobicContact CG1-CB 4.17Å; V25-A234 HydrophobicContact CG1-CB 4.19Å
26T98.9Very high98.3Very high0 Ų026 Ų260%016%0.163CC..Hα-helixtrans-63.8-45.5168.1-60.50000111.3I15 L22 G23 L24 R29 L30 V89 V237I15-T26 HydrophobicContact CD1-CG2 4.11Å; L22-T26 WeakPolarHBondContact O-CB 3.47Å; L22-T26 PolarHBondContact O-N 3.37Å; L22-T26 PolarHBondContact O-OG1 3.1Å; G23-T26 WeakPolarHBondContact O-CB 3.48Å; G23-T26 PolarHBondContact O-N 3.08Å; L24-T26 PolarHBondContact O-N 3.32Å; T26-R29 PolarHBondContact O-N 3.11Å; T26-L30 HydrophobicContact CG2-CD1 4.03Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CG 3.32Å; T26-L30 PolarHBondContact O-N 2.92Å; T26-V89 HydrophobicContact CG2-CG1 4.42Å; T26-V89 HydrophobicContact CG2-CG2 4.29Å; T26-V237 HydrophobicContact CG2-CB 4.13Å; T26-V237 HydrophobicContact CG2-CG1 3.66Å; T26-V237 HydrophobicContact CG2-CG2 4.25Å
27A98.8Very high98.3Very high0 Ų025.9 Ų25.90%016%0.162CC..Hα-helixtrans-63.2-46.6177.600000112.2I15 G23 L24 R29 L30 V31 A37 L39 L54I15-A27 HydrophobicContact CD1-CB 3.64Å; G23-A27 PolarHBondContact O-N 3.12Å; L24-A27 WeakPolarHBondContact O-CA 3.19Å; L24-A27 WeakPolarHBondContact O-CB 3.36Å; L24-A27 PolarHBondContact O-N 3.01Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.2Å; A27-L30 PolarHBondContact O-N 3.29Å; A27-V31 WeakPolarHBondContact O-CB 3.34Å; A27-V31 VanDerWaalsContact O-CG2 3.31Å; A27-V31 WeakPolarHBondContact O-CG2 3.32Å; A27-V31 PolarHBondContact O-N 3.46Å; A27-A37 HydrophobicContact CB-CB 4.17Å; A27-L39 HydrophobicContact CB-CD2 3.34Å; A27-L54 HydrophobicContact CB-CD1 4.03Å
28E98.8Very high98.3Very high85 Ų8525.4 Ų25.440%0.39716%0.158SC..Hα-helixtrans-52.4-48.9174.7-76.9168.7177.600111.4L24 G32 L54L24-E28 HydrophobicContact CD1-CG 4.46Å; L24-E28 PolarHBondContact O-N 3.43Å; E28-G32 PolarHBondContact O-N 3.22Å; E28-L54 HydrophobicContact CB-CD2 4.26Å; E28-L54 HydrophobicContact CG-CD2 3.7Å
29R98.8Very high98.4Very high72 Ų7225.4 Ų25.427%0.27216%0.158SC..Hα-helixtrans-63.3-51.4179.5-174.8-179.4177.782.112.8111.9V25 T26 A27 G32 Q33 A234 H235V25-R29 WeakPolarHBondContact O-CB 3.32Å; V25-R29 PolarHBondContact O-N 2.98Å; V25-R29 VanDerWaalsContact O-N 3.07Å; T26-R29 PolarHBondContact O-N 3.11Å; A27-R29 VanDerWaalsContact C-N 3.3Å; A27-R29 PolarHBondContact O-N 3.2Å; R29-G32 PolarHBondContact O-N 2.96Å; R29-Q33 VanDerWaalsContact O-CG 3.31Å; R29-Q33 WeakPolarHBondContact O-CG 3.43Å; R29-Q33 PolarHBondContact O-N 3.47Å; R29-Q33 VanDerWaalsContact O-N 3.07Å; R29-A234 HydrophobicContact CB-CB 3.91Å; R29-A234 WeakPolarHBondContact CD-O 3.38Å; R29-A234 HydrophobicContact CG-CB 4.42Å; R29-H235 PolarHBondContact NH2-CD2 3.25Å; R29-H235 VanDerWaalsContact NH2-CD2 3.29Å
30L98.8Very high98.4Very high2 Ų225.2 Ų25.21%0.0116%0.156CC..Hα-helixtrans-64.3-43.1-175.9-67.5-179000111.4V8 A13 I15 T26 A27 G32 Q33 G34 A35 Q238 I241V8-L30 HydrophobicContact CB-CD2 4.37Å; V8-L30 HydrophobicContact CG1-CD2 4.18Å; V8-L30 HydrophobicContact CG2-CD2 4.44Å; A13-L30 HydrophobicContact CB-CD1 3.86Å; I15-L30 HydrophobicContact CD1-CD1 4.27Å; T26-L30 HydrophobicContact CG2-CD1 4.03Å; T26-L30 HydrophobicContact CG2-CG 4.4Å; T26-L30 WeakPolarHBondContact O-CG 3.32Å; T26-L30 PolarHBondContact O-N 2.92Å; A27-L30 PolarHBondContact O-N 3.29Å; L30-G32 VanDerWaalsContact C-N 3.35Å; L30-G32 PolarHBondContact O-N 2.98Å; L30-Q33 CarbonylContact O-C 3.46Å; L30-Q33 PolarHBondContact O-N 3.26Å; L30-Q33 VanDerWaalsContact O-N 3.1Å; L30-G34 PolarHBondContact O-N 2.86Å; L30-A35 HydrophobicContact CB-CB 3.99Å; L30-A35 VanDerWaalsContact O-CB 3.26Å; L30-A35 WeakPolarHBondContact O-CB 3.46Å; L30-A35 PolarHBondContact O-N 3.37Å; L30-Q238 HydrophobicContact CD2-CB 4.42Å; L30-I241 HydrophobicContact CD1-CD1 4.1Å; L30-I241 HydrophobicContact CD2-CD1 3.84Å
31V98.8Very high98.6Very high18 Ų1823.6 Ų23.611%0.10914%0.142CC..Hα-helixtrans-62-43.1174.9172.10000111.1A27 Q33 G34 A35 A37 N57 C58A27-V31 WeakPolarHBondContact O-CB 3.34Å; A27-V31 VanDerWaalsContact O-CG2 3.31Å; A27-V31 WeakPolarHBondContact O-CG2 3.32Å; A27-V31 PolarHBondContact O-N 3.46Å; V31-Q33 PolarHBondContact O-N 3.49Å; V31-G34 PolarHBondContact O-N 3.1Å; V31-A35 WeakPolarHBondContact CA-O 3.42Å; V31-A37 HydrophobicContact CG2-CB 3.68Å; V31-N57 HydrophobicContact CG1-CB 4.18Å; V31-C58 HydrophobicContact CG2-CB 4.38Å
32G98.4Very high98.7Very high63 Ų6326.8 Ų26.865%0.64916%0.157SC*.Hα-helixtrans-61.7-21.9174.900000114.3E28 R29 L30E28-G32 PolarHBondContact O-N 3.22Å; R29-G32 PolarHBondContact O-N 2.96Å; L30-G32 VanDerWaalsContact C-N 3.35Å; L30-G32 PolarHBondContact O-N 2.98Å
33Q98.4Very high98.6Very high97 Ų9730 Ų3045%0.45318%0.179SC..THydrogen-bonded Turntrans-956.4174-62.4-63.7-5100113.1V8 R29 L30 V31V8-Q33 HydrophobicContact CG2-CB 3.35Å; V8-Q33 HydrophobicContact CG2-CG 4.26Å; R29-Q33 VanDerWaalsContact O-CG 3.31Å; R29-Q33 WeakPolarHBondContact O-CG 3.43Å; R29-Q33 PolarHBondContact O-N 3.47Å; R29-Q33 VanDerWaalsContact O-N 3.07Å; L30-Q33 CarbonylContact O-C 3.46Å; L30-Q33 PolarHBondContact O-N 3.26Å; L30-Q33 VanDerWaalsContact O-N 3.1Å; V31-Q33 PolarHBondContact O-N 3.49Å
34G98.2Very high98.5Very high29 Ų2936.6 Ų36.630%0.29921%0.214SC..THydrogen-bonded Turntrans88.51617500000115.2G10 L30 V31G10-G34 PolarHBondContact N-O 2.85Å; L30-G34 PolarHBondContact O-N 2.86Å; V31-G34 PolarHBondContact O-N 3.1Å
35A98.7Very high98.3Very high2 Ų237.7 Ų37.72%0.01722%0.223CC..  trans-80168166.200000111.1V8 L11 L30 V31V8-A35 WeakPolarHBondContact O-CB 3.37Å; L11-A35 CarbonylContact O-C 3.4Å; L11-A35 WeakPolarHBondContact O-CA 3.31Å; L11-A35 WeakPolarHBondContact O-CB 3.49Å; L30-A35 HydrophobicContact CB-CB 3.99Å; L30-A35 VanDerWaalsContact O-CB 3.26Å; L30-A35 WeakPolarHBondContact O-CB 3.46Å; L30-A35 PolarHBondContact O-N 3.37Å; V31-A35 WeakPolarHBondContact CA-O 3.42Å
36S98.8Very high98.3Very high18 Ų1838.1 Ų38.113%0.12623%0.234CC..EExtended strand (participates in β ladder)trans-103.3146.7164.5-650000110.4L11 A13 N57L11-S36 PolarHBondContact O-N 2.76Å; A13-S36 PolarHBondContact N-O 2.84Å; S36-N57 CarbonylContact C-O 3.53Å; S36-N57 WeakPolarHBondContact CA-O 3.45Å
37A98.8Very high98.2Very high0 Ų038.1 Ų38.10%023%0.234CC..EExtended strand (participates in β ladder)trans-128.4135.6-178.800000112.5A13 I15 A27 V31 N57 C58 V59A13-A37 CarbonylContact O-C 3.32Å; A13-A37 VanDerWaalsContact O-CA 3.31Å; A13-A37 WeakPolarHBondContact O-CA 3.35Å; I15-A37 HydrophobicContact CD1-CB 4.31Å; A27-A37 HydrophobicContact CB-CB 4.17Å; V31-A37 HydrophobicContact CG2-CB 3.68Å; A37-N57 PolarHBondContact N-O 3.21Å; A37-C58 VanDerWaalsContact O-CA 3.23Å; A37-C58 WeakPolarHBondContact O-CA 3.31Å; A37-C58 PolarHBondContact O-SG 3.47Å; A37-V59 PolarHBondContact O-N 3.44Å
38V98.9Very high98.2Very high0 Ų045.3 Ų45.30%027%0.267CS..EExtended strand (participates in β ladder)trans-107.1111.4166.3-178.20000107.5A13 V14 I15 L40 V59 A61 A78 F82A13-V38 PolarHBondContact O-N 2.89Å; V14-V38 HydrophobicContact CG2-CB 4.18Å; V14-V38 HydrophobicContact CG2-CG2 4.5Å; I15-V38 PolarHBondContact N-O 3.27Å; V38-L40 PolarHBondContact O-N 3.32Å; V38-V59 CarbonylContact C-O 3.6Å; V38-V59 WeakPolarHBondContact CA-O 3.33Å; V38-V59 HydrophobicContact CB-CG2 4.39Å; V38-V59 HydrophobicContact CG1-CG2 4.29Å; V38-V59 HydrophobicContact CG2-CG2 3.84Å; V38-A61 HydrophobicContact CG1-CB 3.72Å; V38-A78 HydrophobicContact CG2-CB 3.66Å; V38-F82 HydrophobicContact CG2-CD2 3.99Å; V38-F82 HydrophobicContact CG2-CE2 3.79Å
39L98.9Very high98.2Very high0 Ų043.9 Ų43.90%027%0.27CS..EExtended strand (participates in β ladder)trans-79111.3174.7-50.7-174.8000107.9A27 Q50 A51 L54 C58 V59 F60 A61A27-L39 HydrophobicContact CB-CD2 3.34Å; L39-Q50 HydrophobicContact CD1-CB 3.94Å; L39-A51 HydrophobicContact CD1-CB 4.05Å; L39-L54 HydrophobicContact CD1-CD1 4.48Å; L39-C58 VanDerWaalsContact CG-SG 3.58Å; L39-V59 PolarHBondContact N-O 2.86Å; L39-F60 HydrophobicContact CB-CD2 4.11Å; L39-F60 VanDerWaalsContact O-CD2 3.22Å; L39-F60 WeakPolarHBondContact O-CD2 3.38Å; L39-A61 PolarHBondContact O-N 2.97Å
40L98.8Very high98.2Very high1 Ų142.4 Ų42.41%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-101.2113.5174.6-168.5166.5000108.1V14 I15 T16 G17 G18 V38 A61 A63 V65 A74V14-L40 HydrophobicContact CG1-CB 4.4Å; V14-L40 HydrophobicContact CG1-CD1 4.25Å; I15-L40 PolarHBondContact O-N 2.95Å; T16-L40 CarbonylContact C-O 3.47Å; T16-L40 WeakPolarHBondContact CA-O 3.19Å; T16-L40 HydrophobicContact CG2-CB 4.28Å; T16-L40 HydrophobicContact CG2-CD1 4.22Å; T16-L40 HydrophobicContact CG2-CD2 4.19Å; T16-L40 HydrophobicContact CG2-CG 4.47Å; G17-L40 PolarHBondContact N-O 3.49Å; G18-L40 PolarHBondContact N-O 3.27Å; V38-L40 PolarHBondContact O-N 3.32Å; L40-A61 WeakPolarHBondContact CA-O 3.45Å; L40-A63 HydrophobicContact CD1-CB 4.35Å; L40-A63 HydrophobicContact CD2-CB 3.64Å; L40-A63 HydrophobicContact CG-CB 3.79Å; L40-V65 HydrophobicContact CD2-CG1 3.71Å; L40-A74 HydrophobicContact CD1-CB 3.61Å; L40-A74 HydrophobicContact CG-CB 4.08Å
41D98.8Very high98.1Very high25 Ų2542.6 Ų42.613%0.13427%0.268CS..EExtended strand (participates in β ladder)trans-157.3170.3-179.5-146.7-45000110G17 G18 A19 S45 F60 A61 P62 A63G17-D41 WeakPolarHBondContact CA-OD2 3.47Å; G18-D41 PolarHBondContact N-OD2 3.19Å; A19-D41 HydrophobicContact CB-CB 3.79Å; A19-D41 VanDerWaalsContact CB-OD2 3.23Å; A19-D41 WeakPolarHBondContact CB-OD2 3.23Å; A19-D41 PolarHBondContact N-OD2 3.1Å; D41-S45 WeakPolarHBondContact CB-OG 3.31Å; D41-S45 WeakPolarHBondContact OD1-CB 3.29Å; D41-F60 HydrophobicContact CB-CE2 3.92Å; D41-A61 PolarHBondContact N-O 3.36Å; D41-P62 CarbonylContact O-C 3.55Å; D41-P62 WeakPolarHBondContact O-CA 3.3Å; D41-A63 CarbonylContact C-O 3.52Å; D41-A63 VanDerWaalsContact C-O 3.32Å; D41-A63 PolarHBondContact O-N 2.83Å
42L98.4Very high98.1Very high78 Ų7850.3 Ų50.341%0.40830%0.3SS..  trans-60.1148.2-179.1-67.3174.2000111.1N44 S45 D64L42-N44 WeakPolarHBondContact CB-OD1 3.34Å; L42-N44 PolarHBondContact O-N 3.01Å; L42-S45 WeakPolarHBondContact O-CB 3.39Å; L42-S45 PolarHBondContact O-N 3.24Å; L42-S45 PolarHBondContact O-OG 3.49Å; L42-D64 HydrophobicContact CD2-CB 4.05Å
43P97.3Very high98.1Very high92 Ų9254.9 Ų54.960%0.59730%0.302SS*.THydrogen-bonded Turntrans-53.4-31-177.3-25.931.3000114.8P62P43-P62 HydrophobicContact CB-CB 4.1Å; P43-P62 HydrophobicContact CG-CB 4.03Å
44N95.6Very high98.1Very high140 Ų14051.9 Ų51.975%0.74929%0.289SS*.THydrogen-bonded Turntrans-95.311.5-178.162.9-22.7000114.3L42 G46L42-N44 WeakPolarHBondContact CB-OD1 3.34Å; L42-N44 PolarHBondContact O-N 3.01Å; N44-G46 VanDerWaalsContact C-N 3.34Å; N44-G46 PolarHBondContact O-N 2.9Å
45S95.9Very high98Very high39 Ų3952 Ų5227%0.27329%0.29SS..SBendtrans-78.5-10.8-174.363.10000115.2A19 D41 L42 G47A19-S45 VanDerWaalsContact CB-OG 3.31Å; A19-S45 WeakPolarHBondContact CB-OG 3.43Å; D41-S45 WeakPolarHBondContact CB-OG 3.31Å; D41-S45 WeakPolarHBondContact OD1-CB 3.29Å; L42-S45 WeakPolarHBondContact O-CB 3.39Å; L42-S45 PolarHBondContact O-N 3.24Å; L42-S45 PolarHBondContact O-OG 3.49Å; S45-G47 VanDerWaalsContact C-N 3.3Å; S45-G47 PolarHBondContact OG-N 3Å
46G96.9Very high97.9Very high40 Ų4059.3 Ų59.341%0.41233%0.329SS..SBendtrans7910-169.600000114.1N44 E48 A49 Q50N44-G46 VanDerWaalsContact C-N 3.34Å; N44-G46 PolarHBondContact O-N 2.9Å; G46-E48 VanDerWaalsContact C-N 3.27Å; G46-E48 PolarHBondContact O-N 3.3Å; G46-A49 PolarHBondContact O-N 3.38Å; G46-A49 VanDerWaalsContact O-N 3.11Å; G46-Q50 PolarHBondContact O-N 3.07Å
47G98Very high97.9Very high0 Ų062.1 Ų62.10%034%0.342CS..Hα-helixtrans-56.6-34.4-178.700000114.6S45 A49 Q50 A51 F60S45-G47 VanDerWaalsContact C-N 3.3Å; S45-G47 PolarHBondContact OG-N 3Å; G47-A49 PolarHBondContact O-N 3.36Å; G47-Q50 PolarHBondContact O-N 2.89Å; G47-A51 PolarHBondContact O-N 3.02Å; G47-F60 VanDerWaalsContact C-CG 3.46Å
48E98.2Very high97.9Very high150 Ų15062.5 Ų62.570%0.70135%0.345SS*.Hα-helixtrans-60.8-43.3175.8-172.4175.8-174.200112.2G46 Q50 A51 K52 F60G46-E48 VanDerWaalsContact C-N 3.27Å; G46-E48 PolarHBondContact O-N 3.3Å; E48-Q50 VanDerWaalsContact C-N 3.31Å; E48-Q50 PolarHBondContact O-N 2.97Å; E48-A51 PolarHBondContact O-N 3.34Å; E48-K52 WeakPolarHBondContact O-CB 3.1Å; E48-K52 PolarHBondContact O-N 2.91Å; E48-F60 HydrophobicContact CB-CD1 3.84Å; E48-F60 HydrophobicContact CB-CG 4.46Å
49A98.3Very high97.9Very high55 Ų5564 Ų6446%0.45535%0.354SS..Hα-helixtrans-65.8-35.7177.800000111.7G46 G47 K53G46-A49 PolarHBondContact O-N 3.38Å; G46-A49 VanDerWaalsContact O-N 3.11Å; G47-A49 PolarHBondContact O-N 3.36Å; A49-K53 WeakPolarHBondContact O-CG 3.43Å; A49-K53 PolarHBondContact O-N 2.85Å
50Q98.4Very high97.8Very high42 Ų4265.6 Ų65.620%0.19636%0.361CS..Hα-helixtrans-71.8-45.2177.1-57-58.84.200112L24 L39 G46 G47 E48 K52 K53 L54L24-Q50 HydrophobicContact CD1-CB 3.75Å; L24-Q50 HydrophobicContact CD1-CG 4Å; L24-Q50 HydrophobicContact CD2-CG 4.07Å; L39-Q50 HydrophobicContact CD1-CB 3.94Å; G46-Q50 PolarHBondContact O-N 3.07Å; G47-Q50 PolarHBondContact O-N 2.89Å; E48-Q50 VanDerWaalsContact C-N 3.31Å; E48-Q50 PolarHBondContact O-N 2.97Å; Q50-K52 VanDerWaalsContact C-N 3.26Å; Q50-K52 PolarHBondContact O-N 3.03Å; Q50-K53 WeakPolarHBondContact O-CB 3.5Å; Q50-K53 PolarHBondContact O-N 3.34Å; Q50-L54 PolarHBondContact O-N 3.25Å; Q50-L54 VanDerWaalsContact O-N 3.08Å
51A98.4Very high97.8Very high5 Ų565.7 Ų65.74%0.04136%0.362CS..Hα-helixtrans-56.9-42.6175.100000111.2L39 G47 E48 K53 L54 G55 F60L39-A51 HydrophobicContact CD1-CB 4.05Å; G47-A51 PolarHBondContact O-N 3.02Å; E48-A51 PolarHBondContact O-N 3.34Å; A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 PolarHBondContact O-N 2.76Å; A51-L54 PolarHBondContact O-N 2.78Å; A51-L54 VanDerWaalsContact O-N 3.12Å; A51-G55 PolarHBondContact O-N 2.84Å; A51-G55 VanDerWaalsContact O-N 3.14Å; A51-F60 HydrophobicContact CB-CB 3.92Å
52K98.3Very high97.8Very high181 Ų18168 Ų6879%0.78738%0.378SS*.Hα-helixtrans-60.4-38.4175.9-170.8176.7-178.3176.60113.3E48 Q50 L54 G55E48-K52 WeakPolarHBondContact O-CB 3.1Å; E48-K52 PolarHBondContact O-N 2.91Å; Q50-K52 VanDerWaalsContact C-N 3.26Å; Q50-K52 PolarHBondContact O-N 3.03Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-G55 PolarHBondContact O-N 3.3Å
53K98.2Very high97.8Very high158 Ų15864.4 Ų64.469%0.68736%0.36SS*.Hα-helixtrans-68-33.2175.8-71.7173.4-172.5171.30112.5A49 Q50 A51 G55A49-K53 WeakPolarHBondContact O-CG 3.43Å; A49-K53 PolarHBondContact O-N 2.85Å; Q50-K53 WeakPolarHBondContact O-CB 3.5Å; Q50-K53 PolarHBondContact O-N 3.34Å; A51-K53 VanDerWaalsContact C-N 3.33Å; A51-K53 PolarHBondContact O-N 2.76Å; K53-G55 VanDerWaalsContact C-N 3.26Å; K53-G55 PolarHBondContact O-N 2.76Å
54L97.9Very high97.9Very high34 Ų3462.6 Ų62.618%0.17835%0.345CS..Hα-helixtrans-78.1-9.5177.5-69.1177.9000113.5L24 A27 E28 L39 Q50 A51 K52 C58L24-L54 HydrophobicContact CD1-CD1 4.48Å; A27-L54 HydrophobicContact CB-CD1 4.03Å; E28-L54 HydrophobicContact CB-CD2 4.26Å; E28-L54 HydrophobicContact CG-CD2 3.7Å; L39-L54 HydrophobicContact CD1-CD1 4.48Å; Q50-L54 PolarHBondContact O-N 3.25Å; Q50-L54 VanDerWaalsContact O-N 3.08Å; A51-L54 PolarHBondContact O-N 2.78Å; A51-L54 VanDerWaalsContact O-N 3.12Å; K52-L54 VanDerWaalsContact C-N 3.33Å; L54-C58 HydrophobicContact CB-CB 3.42Å; L54-C58 VanDerWaalsContact CB-CB 3.42Å; L54-C58 HydrophobicContact CD1-CB 4.2Å; L54-C58 HydrophobicContact CG-CB 4.45Å
55G97.4Very high98Very high31 Ų3156.4 Ų56.432%0.3231%0.313SS..G310 helixtrans77.2-159.9172.300000113.8A51 K52 K53 N57 C58A51-G55 PolarHBondContact O-N 2.84Å; A51-G55 VanDerWaalsContact O-N 3.14Å; K52-G55 PolarHBondContact O-N 3.3Å; K53-G55 VanDerWaalsContact C-N 3.26Å; K53-G55 PolarHBondContact O-N 2.76Å; G55-N57 PolarHBondContact O-N 3.44Å; G55-N57 VanDerWaalsContact O-N 3.11Å; G55-C58 PolarHBondContact O-N 3.48Å
56N95.9Very high98.2Very high157 Ų15757.6 Ų57.684%0.8432%0.318SS*.G310 helixtrans-65.4-19.7-166.6-64.7-14.2000114.9C58N56-C58 PolarHBondContact O-N 2.88Å
57N97.8Very high98.3Very high76 Ų7657.3 Ų57.341%0.40631%0.31SS..G310 helixtrans-86.39.4176.7-66.6-14.2000112V31 S36 A37 G55V31-N57 HydrophobicContact CG1-CB 4.18Å; S36-N57 CarbonylContact C-O 3.53Å; S36-N57 WeakPolarHBondContact CA-O 3.45Å; A37-N57 PolarHBondContact N-O 3.21Å; G55-N57 PolarHBondContact O-N 3.44Å; G55-N57 VanDerWaalsContact O-N 3.11Å
58C98.8Very high98.3Very high8 Ų861.6 Ų61.65%0.05433%0.33CS..EExtended strand (participates in β ladder)trans-135.3133.7178.3-165.30000112V31 A37 L39 L54 G55 N56V31-C58 HydrophobicContact CG2-CB 4.38Å; A37-C58 VanDerWaalsContact O-CA 3.23Å; A37-C58 WeakPolarHBondContact O-CA 3.31Å; A37-C58 PolarHBondContact O-SG 3.47Å; L39-C58 VanDerWaalsContact CG-SG 3.58Å; L54-C58 HydrophobicContact CB-CB 3.42Å; L54-C58 VanDerWaalsContact CB-CB 3.42Å; L54-C58 HydrophobicContact CD1-CB 4.2Å; L54-C58 HydrophobicContact CG-CB 4.45Å; G55-C58 PolarHBondContact O-N 3.48Å; N56-C58 PolarHBondContact O-N 2.88Å
59V98.7Very high98.3Very high32 Ų3261.7 Ų61.719%0.19433%0.328CS..EExtended strand (participates in β ladder)trans-130.8152.4173.6-60.80000110.4A37 V38 L39 L77 K81 F82A37-V59 PolarHBondContact O-N 3.44Å; V38-V59 CarbonylContact C-O 3.6Å; V38-V59 WeakPolarHBondContact CA-O 3.33Å; V38-V59 HydrophobicContact CB-CG2 4.39Å; V38-V59 HydrophobicContact CG1-CG2 4.29Å; V38-V59 HydrophobicContact CG2-CG2 3.84Å; L39-V59 PolarHBondContact N-O 2.86Å; V59-L77 HydrophobicContact CG2-CD2 4.37Å; V59-L77 HydrophobicContact CG2-CG 4.47Å; V59-K81 HydrophobicContact CG1-CG 4.31Å; V59-K81 HydrophobicContact CG2-CG 4.5Å; V59-F82 HydrophobicContact CG1-CZ 4.19Å; V59-F82 HydrophobicContact CG2-CE2 3.84Å; V59-F82 HydrophobicContact CG2-CZ 4.23Å
60F98.8Very high98.3Very high33 Ų3361.6 Ų61.615%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-100.3131.4176.3176.6-124000110.5L39 D41 G47 E48 A51 P62L39-F60 HydrophobicContact CB-CD2 4.11Å; L39-F60 VanDerWaalsContact O-CD2 3.22Å; L39-F60 WeakPolarHBondContact O-CD2 3.38Å; D41-F60 HydrophobicContact CB-CE2 3.92Å; G47-F60 VanDerWaalsContact C-CG 3.46Å; E48-F60 HydrophobicContact CB-CD1 3.84Å; E48-F60 HydrophobicContact CB-CG 4.46Å; A51-F60 HydrophobicContact CB-CB 3.92Å; F60-P62 HydrophobicContact CE1-CB 3.73Å; F60-P62 HydrophobicContact CE1-CG 4.29Å; F60-P62 HydrophobicContact CZ-CB 3.88Å
61A98.7Very high98.4Very high3 Ų359.6 Ų59.63%0.02531%0.31CS..EExtended strand (participates in β ladder)trans-114.699.117300000108.9V38 L39 L40 D41 A63 A74 L77V38-A61 HydrophobicContact CG1-CB 3.72Å; L39-A61 PolarHBondContact O-N 2.97Å; L40-A61 WeakPolarHBondContact CA-O 3.45Å; D41-A61 PolarHBondContact N-O 3.36Å; A61-A63 PolarHBondContact O-N 3.02Å; A61-A74 HydrophobicContact CB-CB 3.56Å; A61-L77 HydrophobicContact CB-CD2 4.01Å
62P98.6Very high98.4Very high74 Ų7463.7 Ų63.748%0.48133%0.329SS..EExtended strand (participates in β ladder)trans-66.5116.8177.327-32.7000109.8D41 P43 F60D41-P62 CarbonylContact O-C 3.55Å; D41-P62 WeakPolarHBondContact O-CA 3.3Å; P43-P62 HydrophobicContact CB-CB 4.1Å; P43-P62 HydrophobicContact CG-CB 4.03Å; F60-P62 HydrophobicContact CE1-CB 3.73Å; F60-P62 HydrophobicContact CE1-CG 4.29Å; F60-P62 HydrophobicContact CZ-CB 3.88Å
63A98.3Very high98.4Very high2 Ų259.2 Ų59.22%0.01732%0.316CS..  trans-158.4142.7-174.800000112.7L40 D41 A61 D70 A74L40-A63 HydrophobicContact CD1-CB 4.35Å; L40-A63 HydrophobicContact CD2-CB 3.64Å; L40-A63 HydrophobicContact CG-CB 3.79Å; D41-A63 CarbonylContact C-O 3.52Å; D41-A63 VanDerWaalsContact C-O 3.32Å; D41-A63 PolarHBondContact O-N 2.83Å; A61-A63 PolarHBondContact O-N 3.02Å; A63-D70 HydrophobicContact CB-CB 3.67Å; A63-A74 HydrophobicContact CB-CB 4.43Å
64D98.7Very high98.4Very high55 Ų5551.8 Ų51.829%0.29429%0.285SS..  trans-88.3122.7161.8-170.3-31.1000109.6L42 T66 S67 D70L42-D64 HydrophobicContact CD2-CB 4.05Å; D64-T66 PolarHBondContact O-N 3.4Å; D64-T66 VanDerWaalsContact O-N 3.08Å; D64-T66 WeakPolarHBondContact OD1-CB 3.48Å; D64-T66 WeakPolarHBondContact OD1-CG2 3.3Å; D64-T66 PolarHBondContact OD1-N 3.11Å; D64-T66 PolarHBondContact OD1-OG1 3.47Å; D64-T66 PolarHBondContact OD2-OG1 3.02Å; D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 3.24Å; D64-D70 PolarHBondContact N-OD2 2.89Å
65V98.8Very high98.4Very high10 Ų1050.5 Ų50.56%0.06128%0.278CS..THydrogen-bonded Turntrans-60.7-19178.3-66.20000113.3T16 L40 A92 G124 N127 V128T16-V65 HydrophobicContact CG2-CG1 4.03Å; L40-V65 HydrophobicContact CD2-CG1 3.71Å; V65-A92 HydrophobicContact CG1-CB 3.92Å; V65-A92 HydrophobicContact CG2-CB 4.24Å; V65-G124 WeakPolarHBondContact O-CA 3.32Å; V65-N127 WeakPolarHBondContact O-CB 3.38Å; V65-N127 PolarHBondContact O-ND2 3.31Å; V65-V128 HydrophobicContact CB-CG2 4.23Å; V65-V128 HydrophobicContact CG1-CG2 4.06Å
66T98.7Very high98.5Very high64 Ų6451.8 Ų51.839%0.39329%0.286SS..THydrogen-bonded Turntrans-81.6-14.6175.670.40000113.3D64 N119 V120D64-T66 PolarHBondContact O-N 3.4Å; D64-T66 VanDerWaalsContact O-N 3.08Å; D64-T66 WeakPolarHBondContact OD1-CB 3.48Å; D64-T66 WeakPolarHBondContact OD1-CG2 3.3Å; D64-T66 PolarHBondContact OD1-N 3.11Å; D64-T66 PolarHBondContact OD1-OG1 3.47Å; D64-T66 PolarHBondContact OD2-OG1 3.02Å; T66-N119 WeakPolarHBondContact CG2-O 3.45Å; T66-V120 HydrophobicContact CG2-CG2 4.17Å
67S98.8Very high98.6Very high33 Ų3346.3 Ų46.323%0.23126%0.256CS..  trans-92.8117176.4172.90000110.6D64 K69 D70 V71 N127D64-S67 WeakPolarHBondContact O-CB 3.39Å; D64-S67 PolarHBondContact O-N 3.24Å; S67-K69 VanDerWaalsContact C-N 3.29Å; S67-K69 PolarHBondContact O-N 2.96Å; S67-D70 VanDerWaalsContact CB-CG 3.41Å; S67-D70 PolarHBondContact O-N 3.29Å; S67-D70 PolarHBondContact OG-N 3Å; S67-D70 PolarHBondContact OG-OD1 3.26Å; S67-V71 WeakPolarHBondContact O-CG2 3.31Å; S67-V71 PolarHBondContact O-N 2.86Å; S67-N127 PolarHBondContact O-ND2 2.8Å
68E98.7Very high98.6Very high90 Ų9042.7 Ų42.742%0.42124%0.237SC..Hα-helixtrans-55.7-45.8172.5174.1173.3-106.700111.4D70 V71 Q72 R130 L131E68-D70 VanDerWaalsContact C-N 3.34Å; E68-D70 PolarHBondContact O-N 2.74Å; E68-V71 PolarHBondContact O-N 2.81Å; E68-Q72 HydrophobicContact CG-CG 4.33Å; E68-Q72 WeakPolarHBondContact O-CB 3.3Å; E68-Q72 WeakPolarHBondContact O-CG 3.34Å; E68-Q72 PolarHBondContact O-N 3.41Å; E68-R130 VanDerWaalsContact CD-NH2 3.33Å; E68-R130 IonicContact OE1-CZ 3.62Å; E68-R130 IonicContact OE1-NH1 2.96Å; E68-R130 PolarHBondContact OE1-NH1 3.23Å; E68-R130 IonicContact OE1-NH2 2.67Å; E68-R130 PolarHBondContact OE1-NH2 3.01Å; E68-L131 HydrophobicContact CG-CD1 4.28Å
69K98.8Very high98.5Very high152 Ų15246.3 Ų46.366%0.66125%0.252SS*.Hα-helixtrans-62.3-41.8-177.1-177.7-176.1176.2-174.70112S67 T73S67-K69 VanDerWaalsContact C-N 3.29Å; S67-K69 PolarHBondContact O-N 2.96Å; K69-T73 WeakPolarHBondContact O-CB 3.44Å; K69-T73 PolarHBondContact O-N 3.1Å; K69-T73 PolarHBondContact O-OG1 3.31Å
70D98.7Very high98.5Very high53 Ų5351.4 Ų51.428%0.28327%0.273SS..Hα-helixtrans-67.3-45.8-178.5-66.721.5000110A63 D64 S67 E68 Q72 T73 A74A63-D70 HydrophobicContact CB-CB 3.67Å; D64-D70 PolarHBondContact N-OD2 2.89Å; S67-D70 VanDerWaalsContact CB-CG 3.41Å; S67-D70 PolarHBondContact O-N 3.29Å; S67-D70 PolarHBondContact OG-N 3Å; S67-D70 PolarHBondContact OG-OD1 3.26Å; E68-D70 VanDerWaalsContact C-N 3.34Å; E68-D70 PolarHBondContact O-N 2.74Å; D70-Q72 PolarHBondContact O-N 3.04Å; D70-T73 WeakPolarHBondContact O-CB 3.49Å; D70-T73 PolarHBondContact O-N 2.98Å; D70-A74 PolarHBondContact O-N 3Å
71V98.8Very high98.4Very high0 Ų054.9 Ų54.90%029%0.288CS..Hα-helixtrans-63.6-43177.6177.90000111.2S67 E68 T73 A74 L75 V128 L131S67-V71 WeakPolarHBondContact O-CG2 3.31Å; S67-V71 PolarHBondContact O-N 2.86Å; E68-V71 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact C-N 3.29Å; V71-T73 PolarHBondContact O-N 2.67Å; V71-A74 WeakPolarHBondContact O-CB 3.32Å; V71-A74 PolarHBondContact O-N 2.8Å; V71-L75 HydrophobicContact CG1-CD1 4.34Å; V71-L75 HydrophobicContact CG1-CG 4.47Å; V71-L75 WeakPolarHBondContact O-CG 3.23Å; V71-L75 PolarHBondContact O-N 3.49Å; V71-V128 HydrophobicContact CG1-CG2 4.12Å; V71-V128 HydrophobicContact CG2-CG2 4.03Å; V71-L131 HydrophobicContact CB-CD1 3.73Å; V71-L131 HydrophobicContact CG1-CB 4.29Å; V71-L131 HydrophobicContact CG1-CD1 3.54Å
72Q98.7Very high98.4Very high92 Ų9256.9 Ų56.943%0.4330%0.297SS..Hα-helixtrans-58.7-42.2174.1-76.6176.2-23.200112.1E68 D70 L75 A76 L131E68-Q72 HydrophobicContact CG-CG 4.33Å; E68-Q72 WeakPolarHBondContact O-CB 3.3Å; E68-Q72 WeakPolarHBondContact O-CG 3.34Å; E68-Q72 PolarHBondContact O-N 3.41Å; D70-Q72 PolarHBondContact O-N 3.04Å; Q72-L75 PolarHBondContact O-N 3.39Å; Q72-A76 WeakPolarHBondContact O-CB 3.36Å; Q72-A76 PolarHBondContact O-N 3.11Å; Q72-L131 HydrophobicContact CG-CD1 3.96Å; Q72-L131 HydrophobicContact CG-CD2 3.94Å
73T98.5Very high98.4Very high86 Ų8655.9 Ų55.953%0.52830%0.3SS..Hα-helixtrans-65.2-40.7177.9-58.80000111.1K69 D70 V71 A76 L77K69-T73 WeakPolarHBondContact O-CB 3.44Å; K69-T73 PolarHBondContact O-N 3.1Å; K69-T73 PolarHBondContact O-OG1 3.31Å; D70-T73 WeakPolarHBondContact O-CB 3.49Å; D70-T73 PolarHBondContact O-N 2.98Å; V71-T73 VanDerWaalsContact C-N 3.29Å; V71-T73 PolarHBondContact O-N 2.67Å; T73-A76 PolarHBondContact O-N 3.24Å; T73-L77 PolarHBondContact O-N 3.07Å
74A98.5Very high98.4Very high3 Ų360.2 Ų60.23%0.02532%0.316CS..Hα-helixtrans-63.1-41.117500000112.5L40 A61 A63 D70 V71 L77 A78L40-A74 HydrophobicContact CD1-CB 3.61Å; L40-A74 HydrophobicContact CG-CB 4.08Å; A61-A74 HydrophobicContact CB-CB 3.56Å; A63-A74 HydrophobicContact CB-CB 4.43Å; D70-A74 PolarHBondContact O-N 3Å; V71-A74 WeakPolarHBondContact O-CB 3.32Å; V71-A74 PolarHBondContact O-N 2.8Å; A74-L77 PolarHBondContact O-N 3.5Å; A74-A78 PolarHBondContact O-N 2.97Å
75L98.5Very high98.4Very high7 Ų757.7 Ų57.74%0.03730%0.303CS..Hα-helixtrans-68.1-39.1175.5-66.3178.7000112.1V14 V71 Q72 L77 A78 K79 V85 L131 V132 E135V14-L75 HydrophobicContact CG1-CD2 4.46Å; V14-L75 HydrophobicContact CG2-CD2 4.05Å; V71-L75 HydrophobicContact CG1-CD1 4.34Å; V71-L75 HydrophobicContact CG1-CG 4.47Å; V71-L75 WeakPolarHBondContact O-CG 3.23Å; V71-L75 PolarHBondContact O-N 3.49Å; Q72-L75 PolarHBondContact O-N 3.39Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 PolarHBondContact O-N 3.23Å; L75-A78 WeakPolarHBondContact O-CB 3.42Å; L75-A78 PolarHBondContact O-N 3.33Å; L75-K79 PolarHBondContact O-N 2.91Å; L75-V85 HydrophobicContact CD2-CG2 4.47Å; L75-L131 HydrophobicContact CD1-CB 3.65Å; L75-V132 HydrophobicContact CD1-CB 4.39Å; L75-V132 HydrophobicContact CD2-CB 4.22Å; L75-V132 HydrophobicContact CD2-CG2 3.95Å; L75-E135 HydrophobicContact CB-CG 4.39Å; L75-E135 HydrophobicContact CD1-CG 4.34Å
76A98.4Very high98.4Very high58 Ų5857.4 Ų57.448%0.47930%0.301SS..Hα-helixtrans-60.8-41.4173.200000111.7Q72 T73 K79 E80Q72-A76 WeakPolarHBondContact O-CB 3.36Å; Q72-A76 PolarHBondContact O-N 3.11Å; T73-A76 PolarHBondContact O-N 3.24Å; A76-K79 PolarHBondContact O-N 2.83Å; A76-E80 WeakPolarHBondContact O-CB 3.32Å; A76-E80 PolarHBondContact O-N 2.93Å
77L98.3Very high98.4Very high42 Ų4254.4 Ų54.422%0.2228%0.282CS..Hα-helixtrans-62.5-42.6173.7179.164.8000111.9V59 A61 T73 A74 L75 K79 E80 K81V59-L77 HydrophobicContact CG2-CD2 4.37Å; V59-L77 HydrophobicContact CG2-CG 4.47Å; A61-L77 HydrophobicContact CB-CD2 4.01Å; T73-L77 PolarHBondContact O-N 3.07Å; A74-L77 PolarHBondContact O-N 3.5Å; L75-L77 VanDerWaalsContact C-N 3.32Å; L75-L77 PolarHBondContact O-N 3.23Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 3.22Å; L77-E80 PolarHBondContact O-N 2.87Å; L77-K81 HydrophobicContact CD1-CD 4.48Å; L77-K81 HydrophobicContact CD1-CG 3.83Å; L77-K81 HydrophobicContact CG-CG 4.4Å; L77-K81 WeakPolarHBondContact O-CG 3.38Å; L77-K81 PolarHBondContact O-N 2.95Å
78A98Very high98.4Very high0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-56.8-45.217600000111.5V14 V38 A74 L75 F82 V85V14-A78 HydrophobicContact CG2-CB 4.06Å; V38-A78 HydrophobicContact CG2-CB 3.66Å; A74-A78 PolarHBondContact O-N 2.97Å; L75-A78 WeakPolarHBondContact O-CB 3.42Å; L75-A78 PolarHBondContact O-N 3.33Å; A78-F82 WeakPolarHBondContact O-CB 3.33Å; A78-F82 PolarHBondContact O-N 3Å; A78-V85 HydrophobicContact CB-CG2 3.8Å
79K97Very high98.4Very high84 Ų8448.6 Ų48.637%0.36525%0.251SS..Hα-helixtrans-67.4-42.2177.3-170.5174.4-164.5156.30112.6L75 A76 L77 K81 G83 E135L75-K79 PolarHBondContact O-N 2.91Å; A76-K79 PolarHBondContact O-N 2.83Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 3.22Å; K79-K81 VanDerWaalsContact C-N 3.34Å; K79-K81 PolarHBondContact O-N 2.99Å; K79-G83 WeakPolarHBondContact O-CA 3.32Å; K79-G83 PolarHBondContact O-N 2.79Å; K79-E135 IonicContact NZ-OE2 2.75Å; K79-E135 PolarHBondContact NZ-OE2 2.8Å
80E97.9Very high98.4Very high138 Ų13841.4 Ų41.465%0.64522%0.22SC*.Hα-helixtrans-61.6-42.9177-170.3-158.513000111.6A76 L77A76-E80 WeakPolarHBondContact O-CB 3.32Å; A76-E80 PolarHBondContact O-N 2.93Å; L77-E80 PolarHBondContact O-N 2.87Å
81K98.1Very high98.4Very high106 Ų10639.9 Ų39.946%0.46121%0.214SC..Hα-helixtrans-84-34.8-175-63.5-50-175.4-153.40114.1V59 L77 K79V59-K81 HydrophobicContact CG1-CG 4.31Å; V59-K81 HydrophobicContact CG2-CG 4.5Å; L77-K81 HydrophobicContact CD1-CD 4.48Å; L77-K81 HydrophobicContact CD1-CG 3.83Å; L77-K81 HydrophobicContact CG-CG 4.4Å; L77-K81 WeakPolarHBondContact O-CG 3.38Å; L77-K81 PolarHBondContact O-N 2.95Å; K79-K81 VanDerWaalsContact C-N 3.34Å; K79-K81 PolarHBondContact O-N 2.99Å
82F98.3Very high98.3Very high45 Ų4540.7 Ų40.720%0.19722%0.221CC..Hα-helixtrans-128.6-1.5-170.6-51.9-57000114.3V12 V38 V59 A78 R84V12-F82 HydrophobicContact CB-CB 4.3Å; V12-F82 HydrophobicContact CG1-CB 3.77Å; V12-F82 HydrophobicContact CG1-CD2 3.7Å; V12-F82 HydrophobicContact CG1-CG 4.08Å; V12-F82 HydrophobicContact CG2-CB 3.5Å; V12-F82 HydrophobicContact CG2-CG 4.33Å; V38-F82 HydrophobicContact CG2-CD2 3.99Å; V38-F82 HydrophobicContact CG2-CE2 3.79Å; V59-F82 HydrophobicContact CG1-CZ 4.19Å; V59-F82 HydrophobicContact CG2-CE2 3.84Å; V59-F82 HydrophobicContact CG2-CZ 4.23Å; A78-F82 WeakPolarHBondContact O-CB 3.33Å; A78-F82 PolarHBondContact O-N 3Å; F82-R84 VanDerWaalsContact C-N 3.25Å; F82-R84 PolarHBondContact O-N 3.34Å
83G97.9Very high98.2Very high54 Ų5438.4 Ų38.456%0.55722%0.222SC*.SBendtrans81.6-16.3171.500000116.1K79K79-G83 WeakPolarHBondContact O-CA 3.32Å; K79-G83 PolarHBondContact O-N 2.79Å
84R97.9Very high98.1Very high93 Ų9336.9 Ų36.935%0.35121%0.209SC..  trans-160.2174.7-175.262.5-170.4-67.1146.9-0.7112.3V12 F82 D86V12-R84 WeakPolarHBondContact CB-O 3.38Å; V12-R84 VanDerWaalsContact CG1-O 3.29Å; V12-R84 WeakPolarHBondContact CG1-O 3.45Å; V12-R84 HydrophobicContact CG2-CG 3.88Å; F82-R84 VanDerWaalsContact C-N 3.25Å; F82-R84 PolarHBondContact O-N 3.34Å; R84-D86 IonicContact CZ-OD1 3.95Å; R84-D86 IonicContact NE-OD1 3.22Å; R84-D86 PolarHBondContact NE-OD1 3.16Å; R84-D86 IonicContact NE-OD2 2.8Å; R84-D86 PolarHBondContact NE-OD2 3.48Å; R84-D86 IonicContact NH2-OD1 3.75Å; R84-D86 PolarHBondContact NH2-OD1 2.78Å
85V98.6Very high97.7Very high2 Ų239.1 Ų39.11%0.01223%0.228CC..  trans-133.4123.8167.9-177.60000108.9V14 L75 A78 V132 M136 N139V14-V85 HydrophobicContact CB-CG1 4.5Å; V14-V85 HydrophobicContact CG2-CG1 3.8Å; V14-V85 HydrophobicContact CG2-CG2 4.11Å; L75-V85 HydrophobicContact CD2-CG2 4.47Å; A78-V85 HydrophobicContact CB-CG2 3.8Å; V85-V132 HydrophobicContact CB-CG2 4.38Å; V85-V132 HydrophobicContact CG1-CG2 3.58Å; V85-M136 HydrophobicContact CG1-CE 4.29Å; V85-M136 WeakPolarHBondContact O-CG 3.29Å; V85-N139 PolarHBondContact O-ND2 3.41Å
86D98.8Very high97.4Very high3 Ų340.1 Ų40.12%0.01623%0.234CC..  trans-111-27.1-177-59.4-66.2000113.1L11 V12 R84 G148 V149L11-D86 HydrophobicContact CB-CB 4.15Å; L11-D86 HydrophobicContact CD2-CB 4.03Å; V12-D86 PolarHBondContact N-OD2 3.23Å; V12-D86 PolarHBondContact O-N 3.32Å; R84-D86 IonicContact CZ-OD1 3.95Å; R84-D86 IonicContact NE-OD1 3.22Å; R84-D86 PolarHBondContact NE-OD1 3.16Å; R84-D86 IonicContact NE-OD2 2.8Å; R84-D86 PolarHBondContact NE-OD2 3.48Å; R84-D86 IonicContact NH2-OD1 3.75Å; R84-D86 PolarHBondContact NH2-OD1 2.78Å; D86-G148 CarbonylContact O-C 3.57Å; D86-G148 VanDerWaalsContact O-CA 3.26Å; D86-G148 WeakPolarHBondContact O-CA 3.32Å; D86-V149 PolarHBondContact O-N 2.89Å
87V98.9Very high97.1Very high1 Ų141.6 Ų41.61%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-135136.2-174.9-176.90000109.5L11 V12 A13 V14 V89 M136 V149 I241L11-V87 HydrophobicContact CD1-CG2 4.25Å; V12-V87 PolarHBondContact O-N 3.47Å; A13-V87 CarbonylContact C-O 3.5Å; A13-V87 WeakPolarHBondContact CA-O 3.41Å; A13-V87 HydrophobicContact CB-CB 3.93Å; A13-V87 HydrophobicContact CB-CG1 4.29Å; V14-V87 PolarHBondContact N-O 3.32Å; V87-V89 HydrophobicContact CG1-CG2 3.84Å; V87-M136 VanDerWaalsContact C-CE 3.49Å; V87-V149 WeakPolarHBondContact CA-O 3.26Å; V87-V149 HydrophobicContact CB-CG1 4.34Å; V87-V149 HydrophobicContact CG1-CG1 4.22Å; V87-V149 HydrophobicContact CG2-CG1 3.81Å; V87-I241 HydrophobicContact CG1-CD1 3.81Å; V87-I241 HydrophobicContact CG1-CG1 4.06Å; V87-I241 HydrophobicContact CG2-CD1 4.08Å; V87-I241 HydrophobicContact CG2-CG1 4.14Å; V87-I241 HydrophobicContact CG2-CG2 4.09Å
88A98.9Very high97Very high1 Ų142 Ų421%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-121.4128.1165.100000109.4V14 V132 M136 V149 I150 I151V14-A88 CarbonylContact O-C 3.54Å; V14-A88 WeakPolarHBondContact O-CA 3.26Å; A88-V132 HydrophobicContact CB-CB 4.37Å; A88-V132 HydrophobicContact CB-CG1 3.73Å; A88-V132 HydrophobicContact CB-CG2 4.02Å; A88-M136 HydrophobicContact CB-CE 3.94Å; A88-V149 PolarHBondContact N-O 2.7Å; A88-I150 HydrophobicContact CB-CG1 4.27Å; A88-I150 HydrophobicContact CB-CG2 4.26Å; A88-I150 CarbonylContact O-C 3.56Å; A88-I150 WeakPolarHBondContact O-CA 3.32Å; A88-I151 PolarHBondContact O-N 3.41Å
89V98.9Very high97Very high0 Ų047.2 Ų47.20%027%0.271CS..EExtended strand (participates in β ladder)trans-118.7110.7175.1-167.50000109V14 I15 T16 T26 V87 C91 I151 V237V14-V89 PolarHBondContact O-N 3Å; I15-V89 WeakPolarHBondContact CA-O 3.36Å; I15-V89 HydrophobicContact CG1-CB 4.2Å; I15-V89 HydrophobicContact CG1-CG2 4.24Å; I15-V89 HydrophobicContact CG2-CB 4.3Å; T16-V89 PolarHBondContact N-O 2.85Å; T26-V89 HydrophobicContact CG2-CG1 4.42Å; T26-V89 HydrophobicContact CG2-CG2 4.29Å; V87-V89 HydrophobicContact CG1-CG2 3.84Å; V89-C91 PolarHBondContact O-N 2.79Å; V89-I151 CarbonylContact C-O 3.57Å; V89-I151 WeakPolarHBondContact CA-O 3.15Å; V89-I151 HydrophobicContact CG1-CB 4.45Å; V89-V237 HydrophobicContact CG1-CG2 4.24Å; V89-V237 HydrophobicContact CG2-CG1 3.93Å
90N98.9Very high97.1Very high1 Ų148.1 Ų48.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-88.695.1179.8-68.7-56.7000110.4T16 T125 V128 I151 N152 T153T16-N90 WeakPolarHBondContact OG1-CA 3.31Å; N90-T125 HydrophobicContact CB-CG2 3.88Å; N90-V128 WeakPolarHBondContact OD1-CB 3.18Å; N90-V128 VanDerWaalsContact OD1-CG1 3.24Å; N90-V128 WeakPolarHBondContact OD1-CG1 3.35Å; N90-I151 PolarHBondContact N-O 2.94Å; N90-N152 PolarHBondContact ND2-OD1 3.34Å; N90-T153 WeakPolarHBondContact O-CB 3.5Å; N90-T153 PolarHBondContact O-N 3.04Å; N90-T153 PolarHBondContact O-OG1 3.23Å
91C98.4Very high97.1Very high22 Ų2247 Ų4715%0.14928%0.275CS..  trans-110.5-11.9175-600000114T16 V89 G93 T153 Y233T16-C91 CarbonylContact O-C 3.57Å; T16-C91 WeakPolarHBondContact O-CA 3.44Å; T16-C91 WeakPolarHBondContact O-CB 3.42Å; T16-C91 PolarHBondContact O-N 2.88Å; T16-C91 PolarHBondContact OG1-N 2.85Å; T16-C91 VanDerWaalsContact OG1-N 3.17Å; V89-C91 PolarHBondContact O-N 2.79Å; C91-G93 PolarHBondContact O-N 3.14Å; C91-T153 PolarHBondContact SG-OG1 3.39Å; C91-T153 VanDerWaalsContact SG-OG1 3.37Å; C91-Y233 PolarHBondContact SG-OH 3.42Å
92A97.3Very high97.1Very high17 Ų1743.8 Ų43.814%0.1426%0.263CS..  trans-56.9134.8175.700000111.1T16 V65T16-A92 PolarHBondContact O-N 2.98Å; T16-A92 WeakPolarHBondContact OG1-CB 3.4Å; T16-A92 PolarHBondContact OG1-N 2.69Å; T16-A92 VanDerWaalsContact OG1-N 3.12Å; V65-A92 HydrophobicContact CG1-CB 3.92Å; V65-A92 HydrophobicContact CG2-CB 4.24Å
93G96Very high97Very high44 Ų4448.3 Ų48.345%0.45429%0.288SS..  trans176.6160.317600000114.2C91 N121C91-G93 PolarHBondContact O-N 3.14Å; G93-N121 WeakPolarHBondContact CA-OD1 3.23Å
94I95.6Very high97Very high53 Ų5355.7 Ų55.727%0.27231%0.305SS..  trans-122.9156.4176.460.9172.7000110.5R116 V117 V120 N121 Y168I94-R116 HydrophobicContact CD1-CG 4.04Å; I94-V117 HydrophobicContact CD1-CG2 4.26Å; I94-V117 HydrophobicContact CG1-CG2 4.42Å; I94-V120 HydrophobicContact CD1-CB 4.15Å; I94-V120 HydrophobicContact CD1-CG2 4.01Å; I94-V120 HydrophobicContact CG1-CB 4.07Å; I94-V120 HydrophobicContact CG1-CG1 4.22Å; I94-V120 HydrophobicContact CG1-CG2 4.44Å; I94-V120 HydrophobicContact CG2-CG1 4.3Å; I94-N121 PolarHBondContact N-OD1 3Å; I94-N121 PolarHBondContact O-ND2 3.36Å; I94-N121 PolarHBondContact O-OD1 2.97Å; I94-Y168 WeakPolarHBondContact O-CD2 3.49Å; I94-Y168 WeakPolarHBondContact O-CE2 3.44Å
95A90.9Very high97Very high51 Ų5158.3 Ų58.342%0.42132%0.319SS..  trans-131.4145.5175.700000110.2Y168 L205A95-Y168 HydrophobicContact CB-CD2 3.84Å; A95-Y168 HydrophobicContact CB-CE2 3.84Å; A95-Y168 HydrophobicContact CB-CG 4.43Å; A95-L205 HydrophobicContact CB-CD2 4.49Å
96V91.6Very high96.9Very high27 Ų2764 Ų6416%0.16435%0.35CS..  trans-134.4154.9173.6-58.30000109.1I98 V117 A167V96-I98 HydrophobicContact CB-CD1 4.13Å; V96-I98 HydrophobicContact CB-CG1 4.28Å; V96-I98 HydrophobicContact CG2-CD1 4.15Å; V96-I98 HydrophobicContact CG2-CG1 4.36Å; V96-V117 HydrophobicContact CB-CG2 4.45Å; V96-V117 HydrophobicContact CG1-CG2 3.91Å; V96-V117 HydrophobicContact CG2-CG2 3.72Å; V96-A167 HydrophobicContact CG2-CB 4.26Å
97A93.9Very high96.9Very high90 Ų9069.1 Ų69.174%0.74437%0.373SS*.  trans-12489.4174.600000109.6G164A97-G164 CarbonylContact C-O 3.55Å; A97-G164 WeakPolarHBondContact CA-O 3.31Å
98I96.1Very high96.8Very high49 Ų4972 Ų7225%0.25140%0.397SS..  trans-133.7119.3-174.6-54.4171.3000108.6V96 H109 D113 G164V96-I98 HydrophobicContact CB-CD1 4.13Å; V96-I98 HydrophobicContact CB-CG1 4.28Å; V96-I98 HydrophobicContact CG2-CD1 4.15Å; V96-I98 HydrophobicContact CG2-CG1 4.36Å; I98-H109 HydrophobicContact CG2-CB 3.96Å; I98-H109 VanDerWaalsContact CG2-CD2 3.43Å; I98-H109 WeakPolarHBondContact CG2-CD2 3.46Å; I98-H109 PolarHBondContact O-CD2 3.12Å; I98-D113 HydrophobicContact CD1-CB 3.95Å; I98-G164 CarbonylContact C-O 3.54Å; I98-G164 PolarHBondContact N-O 3.17Å; I98-G164 CarbonylContact O-C 3.54Å; I98-G164 VanDerWaalsContact O-CA 3.29Å; I98-G164 WeakPolarHBondContact O-CA 3.24Å; I98-G164 VanDerWaalsContact O-O 3.08Å
99K97.5Very high96.8Very high110 Ų11073.3 Ų73.348%0.47840%0.403SS..  trans-63.4138.5175.4-64-169.8-179.7-166.70109.7Y101 V163K99-Y101 PolarHBondContact O-N 3.49Å; K99-Y101 VanDerWaalsContact O-N 3.12Å; K99-V163 HydrophobicContact CD-CG1 4.18Å; K99-V163 HydrophobicContact CG-CG1 4.03Å
100T98.4Very high96.8Very high104 Ų10476.1 Ų76.164%0.63842%0.42SS*.SBendtrans-47.4-43.4173.6-53.70000111.8H109T100-H109 PolarHBondContact O-N 2.79Å
101Y98.5Very high96.8Very high113 Ų11381.7 Ų81.744%0.44345%0.449SS..EExtended strand (participates in β ladder)trans-143.3133.6168.1-177.7-98.3000109.4K99 L103 N106 A108K99-Y101 PolarHBondContact O-N 3.49Å; K99-Y101 VanDerWaalsContact O-N 3.12Å; Y101-L103 HydrophobicContact CE1-CB 4.26Å; Y101-L103 HydrophobicContact CE1-CD1 4.02Å; Y101-N106 PolarHBondContact OH-OD1 3.33Å; Y101-A108 HydrophobicContact CD2-CB 4.16Å
102N97.5Very high96.8Very high39 Ų3987.9 Ų87.921%0.20948%0.476CS..EExtended strand (participates in β ladder)trans-106.7100.5177.1-172.9-29.6000109.6K104 K105 N106 Q107N102-K104 VanDerWaalsContact C-N 3.32Å; N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 PolarHBondContact OD1-N 3.42Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å; N102-K105 HydrophobicContact CB-CB 4.28Å; N102-K105 CarbonylContact O-C 3.54Å; N102-K105 PolarHBondContact O-N 3.44Å; N102-K105 PolarHBondContact OD1-N 3.31Å; N102-N106 WeakPolarHBondContact O-CA 3.46Å; N102-N106 PolarHBondContact O-N 2.9Å; N102-Q107 PolarHBondContact N-O 3.24Å; N102-Q107 PolarHBondContact O-N 2.96Å; N102-Q107 VanDerWaalsContact O-N 3.13Å
103L97.4Very high96.8Very high141 Ų14189 Ų8974%0.73848%0.48SS*.G310 helixtrans-59.4-39-178.8-175.364.5000113Y101 K105 N106Y101-L103 HydrophobicContact CE1-CB 4.26Å; Y101-L103 HydrophobicContact CE1-CD1 4.02Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.88Å; L103-N106 PolarHBondContact O-N 3.1Å
104K97.1Very high96.9Very high209 Ų20990 Ų9091%0.90947%0.472SS*.G310 helixtrans-66-33.1-179.5-67.7-173.1177.5-175.20112.7N102N102-K104 VanDerWaalsContact C-N 3.32Å; N102-K104 PolarHBondContact O-N 3.45Å; N102-K104 PolarHBondContact OD1-N 3.42Å; N102-K104 VanDerWaalsContact OD1-N 3.16Å
105K96.8Very high97.1Very high147 Ų14792 Ų9264%0.63948%0.48SS*.G310 helixtrans-95-3.1176.9-63.8-172.1177.8-173.90112.9N102 L103 Q107N102-K105 HydrophobicContact CB-CB 4.28Å; N102-K105 CarbonylContact O-C 3.54Å; N102-K105 PolarHBondContact O-N 3.44Å; N102-K105 PolarHBondContact OD1-N 3.31Å; L103-K105 VanDerWaalsContact C-N 3.3Å; L103-K105 PolarHBondContact O-N 2.88Å; K105-Q107 HydrophobicContact CB-CB 4.04Å; K105-Q107 PolarHBondContact O-N 3.36Å
106N97.2Very high97.4Very high123 Ų12395 Ų9566%0.65848%0.48SS*.THydrogen-bonded Turntrans44.749-169.7-171.925000112.4Y101 N102 L103Y101-N106 PolarHBondContact OH-OD1 3.33Å; N102-N106 WeakPolarHBondContact O-CA 3.46Å; N102-N106 PolarHBondContact O-N 2.9Å; L103-N106 PolarHBondContact O-N 3.1Å
107Q98.3Very high97.8Very high110 Ų11093.7 Ų93.751%0.51447%0.472SS..EExtended strand (participates in β ladder)trans-134.4127.9-168.9-174.1177.944.200111.3N102 K105N102-Q107 PolarHBondContact N-O 3.24Å; N102-Q107 PolarHBondContact O-N 2.96Å; N102-Q107 VanDerWaalsContact O-N 3.13Å; K105-Q107 HydrophobicContact CB-CB 4.04Å; K105-Q107 PolarHBondContact O-N 3.36Å
108A98.6Very high98Very high61 Ų6191.3 Ų91.350%0.50445%0.447SS..EExtended strand (participates in β ladder)trans-79.6151.5169.500000111.2Y101 T110Y101-A108 HydrophobicContact CD2-CB 4.16Å; A108-T110 PolarHBondContact O-N 3.02Å
109H98.3Very high98.1Very high28 Ų2892.8 Ų92.813%0.1346%0.455CS..PPolyproline II helixtrans-58.3129.9167.5-169.6-39.7000109.3I98 T100 D113I98-H109 HydrophobicContact CG2-CB 3.96Å; I98-H109 VanDerWaalsContact CG2-CD2 3.43Å; I98-H109 WeakPolarHBondContact CG2-CD2 3.46Å; I98-H109 PolarHBondContact O-CD2 3.12Å; T100-H109 PolarHBondContact O-N 2.79Å; H109-D113 VanDerWaalsContact CE1-CB 3.49Å; H109-D113 WeakPolarHBondContact CE1-CB 3.22Å
110T98.4Very high98.2Very high60 Ų6089 Ų8937%0.36844%0.442SS..PPolyproline II helixtrans-64.7141177.772.60000109.8A108 E112 D113 F114A108-T110 PolarHBondContact O-N 3.02Å; T110-E112 PolarHBondContact O-N 3.21Å; T110-D113 VanDerWaalsContact OG1-CB 3.25Å; T110-D113 WeakPolarHBondContact OG1-CB 3.15Å; T110-D113 VanDerWaalsContact OG1-CG 3.27Å; T110-D113 PolarHBondContact OG1-N 3.47Å; T110-D113 VanDerWaalsContact OG1-N 3.08Å; T110-D113 PolarHBondContact OG1-OD2 2.96Å; T110-F114 PolarHBondContact O-N 3.39Å
111L98.6Very high98.2Very high117 Ų11784 Ų8461%0.61341%0.411SS*.Hα-helixtrans-66.8-31.7175.2-178.262.2000111.1F114 Q115L111-F114 PolarHBondContact O-N 3.45Å; L111-Q115 HydrophobicContact CD1-CG 4.44Å; L111-Q115 HydrophobicContact CG-CG 4.37Å; L111-Q115 VanDerWaalsContact CG-NE2 3.27Å; L111-Q115 WeakPolarHBondContact O-CG 3.37Å; L111-Q115 PolarHBondContact O-N 2.97Å
112E98.4Very high98.2Very high152 Ų15280.4 Ų80.471%0.7140%0.399SS*.Hα-helixtrans-60.5-47.4177-175.2-179177.100112.4T110 F114 Q115 R116T110-E112 PolarHBondContact O-N 3.21Å; E112-F114 VanDerWaalsContact C-N 3.28Å; E112-F114 PolarHBondContact O-N 3.24Å; E112-Q115 PolarHBondContact O-N 3.36Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 PolarHBondContact O-N 2.9Å
113D97.6Very high98.3Very high42 Ų4283.4 Ų83.423%0.22541%0.413CS..Hα-helixtrans-63.9-37.2177.5-78.5-50.9000111.7I98 H109 T110 R116 V117I98-D113 HydrophobicContact CD1-CB 3.95Å; H109-D113 VanDerWaalsContact CE1-CB 3.49Å; H109-D113 WeakPolarHBondContact CE1-CB 3.22Å; T110-D113 VanDerWaalsContact OG1-CB 3.25Å; T110-D113 WeakPolarHBondContact OG1-CB 3.15Å; T110-D113 VanDerWaalsContact OG1-CG 3.27Å; T110-D113 PolarHBondContact OG1-N 3.47Å; T110-D113 VanDerWaalsContact OG1-N 3.08Å; T110-D113 PolarHBondContact OG1-OD2 2.96Å; D113-R116 IonicContact OD1-CZ 3.42Å; D113-R116 IonicContact OD1-NE 3.17Å; D113-R116 IonicContact OD1-NH2 2.74Å; D113-R116 PolarHBondContact OD1-NH2 2.95Å; D113-V117 WeakPolarHBondContact O-CG2 3.38Å; D113-V117 PolarHBondContact O-N 2.84Å
114F98.6Very high98.3Very high63 Ų6376.8 Ų76.828%0.27638%0.379SS..Hα-helixtrans-63.5-50.7175.8-171.4-85.7000110.6T110 L111 E112 R116 V117 L118 A167 A170T110-F114 PolarHBondContact O-N 3.39Å; L111-F114 PolarHBondContact O-N 3.45Å; E112-F114 VanDerWaalsContact C-N 3.28Å; E112-F114 PolarHBondContact O-N 3.24Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 2.69Å; F114-V117 PolarHBondContact O-N 2.98Å; F114-L118 HydrophobicContact CD1-CD1 3.75Å; F114-L118 HydrophobicContact CD1-CD2 4.16Å; F114-L118 HydrophobicContact CE1-CD1 3.46Å; F114-L118 VanDerWaalsContact CE1-CD1 3.46Å; F114-L118 HydrophobicContact CE1-CD2 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.15Å; F114-L118 HydrophobicContact CE2-CD1 4.35Å; F114-L118 HydrophobicContact CG-CD1 4.32Å; F114-L118 HydrophobicContact CZ-CD1 3.78Å; F114-L118 HydrophobicContact CZ-CD2 4.3Å; F114-L118 VanDerWaalsContact O-CD1 3.28Å; F114-L118 WeakPolarHBondContact O-CD1 3.36Å; F114-L118 PolarHBondContact O-N 3.2Å; F114-L118 VanDerWaalsContact O-N 3.11Å; F114-A167 HydrophobicContact CB-CB 4.43Å; F114-A167 HydrophobicContact CD2-CB 3.55Å; F114-A167 HydrophobicContact CE2-CB 4.07Å; F114-A167 HydrophobicContact CG-CB 4.17Å; F114-A170 HydrophobicContact CE2-CB 4.19Å; F114-A170 HydrophobicContact CZ-CB 3.8Å
115Q98.8Very high98.4Very high96 Ų9667 Ų6745%0.44934%0.337SS..Hα-helixtrans-59.5-42.6177.9-74.1177.229.600112.1L111 E112 V117 L118 N119L111-Q115 HydrophobicContact CD1-CG 4.44Å; L111-Q115 HydrophobicContact CG-CG 4.37Å; L111-Q115 VanDerWaalsContact CG-NE2 3.27Å; L111-Q115 WeakPolarHBondContact O-CG 3.37Å; L111-Q115 PolarHBondContact O-N 2.97Å; E112-Q115 PolarHBondContact O-N 3.36Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 3.21Å; Q115-L118 PolarHBondContact O-N 3.39Å; Q115-N119 VanDerWaalsContact O-CB 3.29Å; Q115-N119 WeakPolarHBondContact O-CB 3.24Å; Q115-N119 PolarHBondContact O-N 3.17Å; Q115-N119 PolarHBondContact O-ND2 3.29Å
116R98.6Very high98.5Very high113 Ų11364.3 Ų64.343%0.42633%0.325SS..Hα-helixtrans-58.6-44.2178.5-176.9170.659.9102.8-2.3112.1I94 E112 D113 F114 N119 V120I94-R116 HydrophobicContact CD1-CG 4.04Å; E112-R116 WeakPolarHBondContact O-CB 3.45Å; E112-R116 PolarHBondContact O-N 2.9Å; D113-R116 IonicContact OD1-CZ 3.42Å; D113-R116 IonicContact OD1-NE 3.17Å; D113-R116 IonicContact OD1-NH2 2.74Å; D113-R116 PolarHBondContact OD1-NH2 2.95Å; F114-R116 VanDerWaalsContact C-N 3.34Å; F114-R116 PolarHBondContact O-N 2.69Å; R116-N119 PolarHBondContact O-N 3.22Å; R116-V120 PolarHBondContact O-N 3.05Å; R116-V120 VanDerWaalsContact O-N 3.08Å
117V98.6Very high98.6Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-64.7-44.1177.21750000111.2I94 V96 D113 F114 Q115 N121 A167I94-V117 HydrophobicContact CD1-CG2 4.26Å; I94-V117 HydrophobicContact CG1-CG2 4.42Å; V96-V117 HydrophobicContact CB-CG2 4.45Å; V96-V117 HydrophobicContact CG1-CG2 3.91Å; V96-V117 HydrophobicContact CG2-CG2 3.72Å; D113-V117 WeakPolarHBondContact O-CG2 3.38Å; D113-V117 PolarHBondContact O-N 2.84Å; F114-V117 PolarHBondContact O-N 2.98Å; Q115-V117 VanDerWaalsContact C-N 3.34Å; Q115-V117 PolarHBondContact O-N 3.21Å; V117-N121 VanDerWaalsContact O-CB 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.4Å; V117-N121 PolarHBondContact O-N 2.92Å; V117-A167 HydrophobicContact CB-CB 3.99Å; V117-A167 HydrophobicContact CG1-CB 4.09Å; V117-A167 WeakPolarHBondContact CG1-O 3.41Å; V117-A167 HydrophobicContact CG2-CB 4.14Å
118L98.8Very high98.6Very high41 Ų4153.8 Ų53.822%0.21527%0.272CS..Hα-helixtrans-64.3-42.6176.4-9068.2000111.8F114 Q115 L122 M123 A170F114-L118 HydrophobicContact CD1-CD1 3.75Å; F114-L118 HydrophobicContact CD1-CD2 4.16Å; F114-L118 HydrophobicContact CE1-CD1 3.46Å; F114-L118 VanDerWaalsContact CE1-CD1 3.46Å; F114-L118 HydrophobicContact CE1-CD2 3.53Å; F114-L118 HydrophobicContact CE1-CG 4.15Å; F114-L118 HydrophobicContact CE2-CD1 4.35Å; F114-L118 HydrophobicContact CG-CD1 4.32Å; F114-L118 HydrophobicContact CZ-CD1 3.78Å; F114-L118 HydrophobicContact CZ-CD2 4.3Å; F114-L118 VanDerWaalsContact O-CD1 3.28Å; F114-L118 WeakPolarHBondContact O-CD1 3.36Å; F114-L118 PolarHBondContact O-N 3.2Å; F114-L118 VanDerWaalsContact O-N 3.11Å; Q115-L118 PolarHBondContact O-N 3.39Å; L118-L122 WeakPolarHBondContact O-CA 3.2Å; L118-L122 VanDerWaalsContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 PolarHBondContact O-N 3.46Å; L118-M123 PolarHBondContact O-N 3.28Å; L118-A170 HydrophobicContact CD1-CB 4.3Å
119N98.8Very high98.7Very high79 Ų7951 Ų5142%0.42225%0.249SC..Iπ-helixtrans-61.3-49.1-179.4-75.3-12000111.3T66 Q115 R116 M123 G124T66-N119 WeakPolarHBondContact CG2-O 3.45Å; Q115-N119 VanDerWaalsContact O-CB 3.29Å; Q115-N119 WeakPolarHBondContact O-CB 3.24Å; Q115-N119 PolarHBondContact O-N 3.17Å; Q115-N119 PolarHBondContact O-ND2 3.29Å; R116-N119 PolarHBondContact O-N 3.22Å; N119-M123 CarbonylContact O-C 3.58Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 3.41Å; N119-G124 PolarHBondContact O-N 2.89Å
120V98.6Very high98.7Very high31 Ų3154.5 Ų54.519%0.18826%0.261CS..Iπ-helixtrans-70-53.5179.6176.90000111.2T66 I94 R116 G124T66-V120 HydrophobicContact CG2-CG2 4.17Å; I94-V120 HydrophobicContact CD1-CB 4.15Å; I94-V120 HydrophobicContact CD1-CG2 4.01Å; I94-V120 HydrophobicContact CG1-CB 4.07Å; I94-V120 HydrophobicContact CG1-CG1 4.22Å; I94-V120 HydrophobicContact CG1-CG2 4.44Å; I94-V120 HydrophobicContact CG2-CG1 4.3Å; R116-V120 PolarHBondContact O-N 3.05Å; R116-V120 VanDerWaalsContact O-N 3.08Å; V120-G124 WeakPolarHBondContact O-CA 3.27Å
121N98.8Very high98.7Very high0 Ų052.8 Ų52.80%025%0.25CC..Iπ-helixtrans-76.2-45.9-169-68-2.2000112.6G93 I94 V117 T125 S171G93-N121 WeakPolarHBondContact CA-OD1 3.23Å; I94-N121 PolarHBondContact N-OD1 3Å; I94-N121 PolarHBondContact O-ND2 3.36Å; I94-N121 PolarHBondContact O-OD1 2.97Å; V117-N121 VanDerWaalsContact O-CB 3.25Å; V117-N121 WeakPolarHBondContact O-CB 3.4Å; V117-N121 PolarHBondContact O-N 2.92Å; N121-T125 VanDerWaalsContact O-CB 3.29Å; N121-T125 WeakPolarHBondContact O-CB 3.44Å; N121-T125 PolarHBondContact O-OG1 3.12Å; N121-S171 WeakPolarHBondContact CB-OG 3.39Å; N121-S171 PolarHBondContact ND2-OG 2.78Å
122L98.9Very high98.7Very high36 Ų3647.2 Ų47.219%0.18822%0.22CC..Iπ-helixtrans-94.1-57-172.8178.560.4000111L118 G124 T125 F126 I175 M178L118-L122 WeakPolarHBondContact O-CA 3.2Å; L118-L122 VanDerWaalsContact O-CB 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.49Å; L118-L122 PolarHBondContact O-N 3.46Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.89Å; L122-T125 PolarHBondContact O-N 3.27Å; L122-F126 PolarHBondContact O-N 3.49Å; L122-I175 HydrophobicContact CD1-CG1 4.07Å; L122-M178 HydrophobicContact CD1-CE 4.07Å; L122-M178 HydrophobicContact CD1-SD 3.89Å
123M98.9Very high98.7Very high103 Ų10340.4 Ų40.451%0.50719%0.19SC..Iπ-helixtrans-66.1-39.2-178.2-56.7-58.2-6300111.3L118 N119 F126 N127L118-M123 PolarHBondContact O-N 3.28Å; N119-M123 CarbonylContact O-C 3.58Å; N119-M123 WeakPolarHBondContact O-CB 3.26Å; N119-M123 PolarHBondContact O-N 3.41Å; M123-F126 PolarHBondContact O-N 3.05Å; M123-N127 VanDerWaalsContact O-CB 3.27Å; M123-N127 WeakPolarHBondContact O-CB 3.38Å; M123-N127 PolarHBondContact O-N 3.5Å
124G98.9Very high98.8Very high1 Ų140.5 Ų40.51%0.0120%0.201CC..Hα-helixtrans-61.7-44.7174.400000112.9V65 N119 V120 L122 F126 N127 V128V65-G124 WeakPolarHBondContact O-CA 3.32Å; N119-G124 PolarHBondContact O-N 2.89Å; V120-G124 WeakPolarHBondContact O-CA 3.27Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.89Å; G124-F126 PolarHBondContact O-N 3.08Å; G124-N127 WeakPolarHBondContact O-CB 3.49Å; G124-N127 PolarHBondContact O-N 3.44Å; G124-V128 WeakPolarHBondContact O-CG2 3.31Å; G124-V128 PolarHBondContact O-N 2.79Å; G124-V128 VanDerWaalsContact O-N 3.08Å
125T98.9Very high98.7Very high4 Ų439.8 Ų39.83%0.02520%0.198CC..Hα-helixtrans-59.6-47.5173.8-64.90000111N90 N121 L122 N127 V128 I129 N152 I175 M178N90-T125 HydrophobicContact CB-CG2 3.88Å; N121-T125 VanDerWaalsContact O-CB 3.29Å; N121-T125 WeakPolarHBondContact O-CB 3.44Å; N121-T125 PolarHBondContact O-OG1 3.12Å; L122-T125 PolarHBondContact O-N 3.27Å; T125-N127 PolarHBondContact O-N 2.89Å; T125-V128 PolarHBondContact O-N 3.18Å; T125-I129 HydrophobicContact CG2-CD1 3.8Å; T125-I129 HydrophobicContact CG2-CG1 4.43Å; T125-I129 VanDerWaalsContact O-CG1 3.23Å; T125-I129 WeakPolarHBondContact O-CG1 3.37Å; T125-I129 PolarHBondContact O-N 2.85Å; T125-N152 HydrophobicContact CG2-CB 4.32Å; T125-I175 HydrophobicContact CG2-CG1 4.48Å; T125-M178 HydrophobicContact CG2-CE 3.44Å; T125-M178 VanDerWaalsContact CG2-CE 3.44Å
126F98.9Very high98.7Very high90 Ų9035.2 Ų35.240%0.39518%0.177SC..Hα-helixtrans-64.3-38.3178.4-177.2-105.4000112.9L122 M123 G124 V128 I129 R130 M178 I182L122-F126 PolarHBondContact O-N 3.49Å; M123-F126 PolarHBondContact O-N 3.05Å; G124-F126 PolarHBondContact O-N 3.08Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.69Å; F126-I129 PolarHBondContact O-N 2.85Å; F126-R130 WeakPolarHBondContact O-CG 3.32Å; F126-R130 PolarHBondContact O-N 2.82Å; F126-M178 HydrophobicContact CB-SD 4.34Å; F126-M178 HydrophobicContact CD2-SD 4.3Å; F126-I182 HydrophobicContact CD2-CD1 4.11Å; F126-I182 HydrophobicContact CE2-CD1 4.29Å
127N98.9Very high98.7Very high13 Ų1331 Ų317%0.0717%0.168CC..Hα-helixtrans-59.3-43.6176.2-174.543.1000111.5V65 S67 M123 G124 T125 R130 L131V65-N127 WeakPolarHBondContact O-CB 3.38Å; V65-N127 PolarHBondContact O-ND2 3.31Å; S67-N127 PolarHBondContact O-ND2 2.8Å; M123-N127 VanDerWaalsContact O-CB 3.27Å; M123-N127 WeakPolarHBondContact O-CB 3.38Å; M123-N127 PolarHBondContact O-N 3.5Å; G124-N127 WeakPolarHBondContact O-CB 3.49Å; G124-N127 PolarHBondContact O-N 3.44Å; T125-N127 PolarHBondContact O-N 2.89Å; N127-R130 WeakPolarHBondContact O-CG 3.44Å; N127-R130 VanDerWaalsContact OD1-CZ 3.31Å; N127-R130 PolarHBondContact OD1-NE 3.46Å; N127-R130 PolarHBondContact OD1-NH2 3.29Å; N127-L131 WeakPolarHBondContact O-CD1 3.42Å; N127-L131 VanDerWaalsContact O-CG 3.31Å; N127-L131 WeakPolarHBondContact O-CG 3.44Å; N127-L131 PolarHBondContact O-N 3.17Å
128V98.9Very high98.7Very high0 Ų036.2 Ų36.20%019%0.193CC..Hα-helixtrans-67-46.3175.4177.60000111T16 V65 V71 N90 G124 T125 F126 R130 L131 V132T16-V128 HydrophobicContact CG2-CG1 4.04Å; T16-V128 HydrophobicContact CG2-CG2 3.91Å; V65-V128 HydrophobicContact CB-CG2 4.23Å; V65-V128 HydrophobicContact CG1-CG2 4.06Å; V71-V128 HydrophobicContact CG1-CG2 4.12Å; V71-V128 HydrophobicContact CG2-CG2 4.03Å; N90-V128 WeakPolarHBondContact OD1-CB 3.18Å; N90-V128 VanDerWaalsContact OD1-CG1 3.24Å; N90-V128 WeakPolarHBondContact OD1-CG1 3.35Å; G124-V128 WeakPolarHBondContact O-CG2 3.31Å; G124-V128 PolarHBondContact O-N 2.79Å; G124-V128 VanDerWaalsContact O-N 3.08Å; T125-V128 PolarHBondContact O-N 3.18Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.69Å; V128-R130 PolarHBondContact O-N 3.13Å; V128-L131 PolarHBondContact O-N 3.43Å; V128-V132 WeakPolarHBondContact O-CB 3.19Å; V128-V132 VanDerWaalsContact O-CG1 3.26Å; V128-V132 WeakPolarHBondContact O-CG1 3.3Å; V128-V132 PolarHBondContact O-N 3.06Å
129I98.9Very high98.7Very high3 Ų334.8 Ų34.82%0.01519%0.185CC..Hα-helixtrans-53.3-55.1178.7-71.4166000111.4T125 F126 L131 V132 A133 I150 M178 I182T125-I129 HydrophobicContact CG2-CD1 3.8Å; T125-I129 HydrophobicContact CG2-CG1 4.43Å; T125-I129 VanDerWaalsContact O-CG1 3.23Å; T125-I129 WeakPolarHBondContact O-CG1 3.37Å; T125-I129 PolarHBondContact O-N 2.85Å; F126-I129 PolarHBondContact O-N 2.85Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 3.38Å; I129-V132 WeakPolarHBondContact O-CG1 3.49Å; I129-V132 PolarHBondContact O-N 3.37Å; I129-A133 VanDerWaalsContact O-CB 3.26Å; I129-A133 WeakPolarHBondContact O-CB 3.38Å; I129-A133 PolarHBondContact O-N 3.18Å; I129-I150 HydrophobicContact CG1-CG2 3.99Å; I129-I150 HydrophobicContact CG2-CD1 4.06Å; I129-M178 HydrophobicContact CD1-CE 3.69Å; I129-M178 HydrophobicContact CD1-SD 4.49Å; I129-I182 HydrophobicContact CD1-CD1 4.02Å; I129-I182 HydrophobicContact CG2-CD1 4.28Å; I129-I182 HydrophobicContact CG2-CG2 3.79Å
130R98.8Very high98.6Very high101 Ų10138 Ų3838%0.38120%0.198SC..Hα-helixtrans-64.9-33.5-172.371.6-177.9179.588.6-0.5112.4E68 F126 N127 V128E68-R130 VanDerWaalsContact CD-NH2 3.33Å; E68-R130 IonicContact OE1-CZ 3.62Å; E68-R130 IonicContact OE1-NH1 2.96Å; E68-R130 PolarHBondContact OE1-NH1 3.23Å; E68-R130 IonicContact OE1-NH2 2.67Å; E68-R130 PolarHBondContact OE1-NH2 3.01Å; F126-R130 WeakPolarHBondContact O-CG 3.32Å; F126-R130 PolarHBondContact O-N 2.82Å; N127-R130 WeakPolarHBondContact O-CG 3.44Å; N127-R130 VanDerWaalsContact OD1-CZ 3.31Å; N127-R130 PolarHBondContact OD1-NE 3.46Å; N127-R130 PolarHBondContact OD1-NH2 3.29Å; V128-R130 PolarHBondContact O-N 3.13Å
131L98.9Very high98.5Very high24 Ų2439 Ų3913%0.12621%0.205CC..Hα-helixtrans-79.5-44.6-179.4-66.5172.9000111.1E68 V71 Q72 L75 N127 V128 I129 A133 G134 E135E68-L131 HydrophobicContact CG-CD1 4.28Å; V71-L131 HydrophobicContact CB-CD1 3.73Å; V71-L131 HydrophobicContact CG1-CB 4.29Å; V71-L131 HydrophobicContact CG1-CD1 3.54Å; Q72-L131 HydrophobicContact CG-CD1 3.96Å; Q72-L131 HydrophobicContact CG-CD2 3.94Å; L75-L131 HydrophobicContact CD1-CB 3.65Å; N127-L131 WeakPolarHBondContact O-CD1 3.42Å; N127-L131 VanDerWaalsContact O-CG 3.31Å; N127-L131 WeakPolarHBondContact O-CG 3.44Å; N127-L131 PolarHBondContact O-N 3.17Å; V128-L131 PolarHBondContact O-N 3.43Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 3.38Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.36Å; L131-G134 PolarHBondContact O-N 2.84Å; L131-E135 PolarHBondContact O-N 3.04Å
132V98.8Very high98.3Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-69.2-30179.978.50000112.4L75 V85 A88 V128 I129 G134 E135 M136 I150L75-V132 HydrophobicContact CD1-CB 4.39Å; L75-V132 HydrophobicContact CD2-CB 4.22Å; L75-V132 HydrophobicContact CD2-CG2 3.95Å; V85-V132 HydrophobicContact CB-CG2 4.38Å; V85-V132 HydrophobicContact CG1-CG2 3.58Å; A88-V132 HydrophobicContact CB-CB 4.37Å; A88-V132 HydrophobicContact CB-CG1 3.73Å; A88-V132 HydrophobicContact CB-CG2 4.02Å; V128-V132 WeakPolarHBondContact O-CB 3.19Å; V128-V132 VanDerWaalsContact O-CG1 3.26Å; V128-V132 WeakPolarHBondContact O-CG1 3.3Å; V128-V132 PolarHBondContact O-N 3.06Å; I129-V132 WeakPolarHBondContact O-CG1 3.49Å; I129-V132 PolarHBondContact O-N 3.37Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 2.72Å; V132-E135 PolarHBondContact O-N 3.17Å; V132-M136 HydrophobicContact CG1-CE 4.45Å; V132-M136 HydrophobicContact CG2-CE 3.91Å; V132-M136 HydrophobicContact CG2-CG 4.38Å; V132-M136 HydrophobicContact CG2-SD 4.39Å; V132-M136 WeakPolarHBondContact O-CB 3.35Å; V132-M136 WeakPolarHBondContact O-CG 3.39Å; V132-M136 PolarHBondContact O-N 3.27Å; V132-I150 HydrophobicContact CG1-CD1 3.87Å; V132-I150 HydrophobicContact CG1-CG1 4.17Å
133A98.8Very high97.9Very high9 Ų948.7 Ų48.77%0.07425%0.251CS..Hα-helixtrans-60-37.3174.100000112.1I129 L131 G137 L186 I191I129-A133 VanDerWaalsContact O-CB 3.26Å; I129-A133 WeakPolarHBondContact O-CB 3.38Å; I129-A133 PolarHBondContact O-N 3.18Å; L131-A133 VanDerWaalsContact C-N 3.31Å; L131-A133 PolarHBondContact O-N 3.36Å; A133-G137 PolarHBondContact O-N 3.12Å; A133-L186 HydrophobicContact CB-CD1 3.93Å; A133-L186 HydrophobicContact CB-CD2 3.95Å; A133-I191 HydrophobicContact CB-CD1 4.33Å
134G98.1Very high97.6Very high43 Ų4347.2 Ų47.244%0.44326%0.263SS..Hα-helixtrans-67-37.1175.600000113.5L131 V132 Q138L131-G134 PolarHBondContact O-N 2.84Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 2.72Å; G134-Q138 PolarHBondContact O-NE2 2.95Å
135E98.2Very high97.5Very high48 Ų4849 Ų4922%0.22428%0.28CS..Hα-helixtrans-73.1-44.8174.4-69.9-55.1127.500111.8L75 K79 L131 V132 G137 Q138L75-E135 HydrophobicContact CB-CG 4.39Å; L75-E135 HydrophobicContact CD1-CG 4.34Å; K79-E135 IonicContact NZ-OE2 2.75Å; K79-E135 PolarHBondContact NZ-OE2 2.8Å; L131-E135 PolarHBondContact O-N 3.04Å; V132-E135 PolarHBondContact O-N 3.17Å; E135-G137 VanDerWaalsContact C-N 3.26Å; E135-G137 PolarHBondContact O-N 2.82Å; E135-Q138 WeakPolarHBondContact O-CB 3.34Å; E135-Q138 PolarHBondContact O-N 2.86Å; E135-Q138 VanDerWaalsContact O-N 3.1Å; E135-Q138 PolarHBondContact OE1-NE2 3.17Å
136M98.8Very high97.4Very high0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-59.3-38.1174.5-74.9172.517700111.5V85 V87 A88 V132 Q138 N139 R147 V149 I150 I191V85-M136 HydrophobicContact CG1-CE 4.29Å; V85-M136 WeakPolarHBondContact O-CG 3.29Å; V87-M136 VanDerWaalsContact C-CE 3.49Å; A88-M136 HydrophobicContact CB-CE 3.94Å; V132-M136 HydrophobicContact CG1-CE 4.45Å; V132-M136 HydrophobicContact CG2-CE 3.91Å; V132-M136 HydrophobicContact CG2-CG 4.38Å; V132-M136 HydrophobicContact CG2-SD 4.39Å; V132-M136 WeakPolarHBondContact O-CB 3.35Å; V132-M136 WeakPolarHBondContact O-CG 3.39Å; V132-M136 PolarHBondContact O-N 3.27Å; M136-Q138 PolarHBondContact O-N 3.08Å; M136-Q138 VanDerWaalsContact O-N 3.14Å; M136-N139 VanDerWaalsContact O-CB 3.26Å; M136-N139 WeakPolarHBondContact O-CB 3.21Å; M136-N139 PolarHBondContact O-N 3.16Å; M136-R147 WeakPolarHBondContact O-CB 3.36Å; M136-V149 WeakPolarHBondContact CE-O 3.37Å; M136-I150 HydrophobicContact CE-CG1 4.07Å; M136-I150 HydrophobicContact SD-CD1 4.4Å; M136-I150 HydrophobicContact SD-CG1 3.94Å; M136-I191 HydrophobicContact CB-CD1 3.53Å; M136-I191 HydrophobicContact CB-CG1 4.07Å; M136-I191 HydrophobicContact SD-CD1 4.38Å; M136-I191 HydrophobicContact SD-CG2 3.92Å
137G98.4Very high97.4Very high24 Ų2448.3 Ų48.325%0.24728%0.276CS..Hα-helixtrans-58.8-24.6177.100000114.1A133 E135 N139 R147A133-G137 PolarHBondContact O-N 3.12Å; E135-G137 VanDerWaalsContact C-N 3.26Å; E135-G137 PolarHBondContact O-N 2.82Å; G137-N139 VanDerWaalsContact C-N 3.34Å; G137-R147 PolarHBondContact O-NH1 3.23Å
138Q97.8Very high97.4Very high111 Ų11147.7 Ų47.752%0.51927%0.272SS..THydrogen-bonded Turntrans-79.9-14.1176.5-64.6166.848.900113.3G134 E135 M136G134-Q138 PolarHBondContact O-NE2 2.95Å; E135-Q138 WeakPolarHBondContact O-CB 3.34Å; E135-Q138 PolarHBondContact O-N 2.86Å; E135-Q138 VanDerWaalsContact O-N 3.1Å; E135-Q138 PolarHBondContact OE1-NE2 3.17Å; M136-Q138 PolarHBondContact O-N 3.08Å; M136-Q138 VanDerWaalsContact O-N 3.14Å
139N98.2Very high97.4Very high11 Ų1147.7 Ų47.76%0.05927%0.272CS..SBendtrans-67.8139.8177.5-67.9-23.9000110.7V85 M136 G137 R147V85-N139 PolarHBondContact O-ND2 3.41Å; M136-N139 VanDerWaalsContact O-CB 3.26Å; M136-N139 WeakPolarHBondContact O-CB 3.21Å; M136-N139 PolarHBondContact O-N 3.16Å; G137-N139 VanDerWaalsContact C-N 3.34Å; N139-R147 HydrophobicContact CB-CB 4.33Å; N139-R147 PolarHBondContact ND2-O 2.91Å; N139-R147 WeakPolarHBondContact O-CD 3.38Å; N139-R147 PolarHBondContact O-NH1 3.48Å
140E97.3Very high97.4Very high147 Ų14747.6 Ų47.669%0.68727%0.272SS*.PPolyproline II helixtrans-57.8132.7162.6-70.2-58.2145.200109.9
141P96.8Very high97.4Very high50 Ų5042.8 Ų42.833%0.32525%0.253SS..PPolyproline II helixtrans-65.7142.3179.128.1-30.8000109.7R147P141-R147 HydrophobicContact CB-CG 4.08Å
142D94Very high97.4Very high63 Ų6341.6 Ų41.634%0.33725%0.247SC..  trans-70.3-177170.372.718.7000111.6R6 G144 G145 Q146R6-D142 IonicContact NH1-OD2 3.66Å; D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 VanDerWaalsContact O-N 3.1Å; D142-G144 WeakPolarHBondContact OD1-CA 3.34Å; D142-G144 PolarHBondContact OD1-N 2.96Å; D142-G145 PolarHBondContact O-N 3.37Å; D142-G145 PolarHBondContact OD1-N 2.91Å; D142-Q146 PolarHBondContact N-O 2.83Å; D142-Q146 WeakPolarHBondContact OD1-CB 3.17Å; D142-Q146 PolarHBondContact OD1-N 2.85Å
143Q90.7Very high97.4Very high177 Ų17742 Ų4283%0.82725%0.25SS*.THydrogen-bonded Turntrans-59.5-24-178.5-62.8-176.78.900113.7
144G92.6Very high97.4Very high73 Ų7341.7 Ų41.775%0.75325%0.247SC*.THydrogen-bonded Turntrans-91.85.3176.100000113.7D142 Q146D142-G144 PolarHBondContact O-N 3.42Å; D142-G144 VanDerWaalsContact O-N 3.1Å; D142-G144 WeakPolarHBondContact OD1-CA 3.34Å; D142-G144 PolarHBondContact OD1-N 2.96Å; G144-Q146 VanDerWaalsContact C-N 3.28Å
145G96.3Very high97.4Very high37 Ų3740.1 Ų40.138%0.38123%0.229SC..SBendtrans82.22.2-174.800000113.8D142D142-G145 PolarHBondContact O-N 3.37Å; D142-G145 PolarHBondContact OD1-N 2.91Å
146Q97.9Very high97.4Very high15 Ų1538 Ų387%0.0722%0.22CC..  trans-81.6132.3-172.7-164.1-173.5-62.200110.9D142 G144 G148 G190D142-Q146 PolarHBondContact N-O 2.83Å; D142-Q146 WeakPolarHBondContact OD1-CB 3.17Å; D142-Q146 PolarHBondContact OD1-N 2.85Å; G144-Q146 VanDerWaalsContact C-N 3.28Å; Q146-G148 PolarHBondContact NE2-O 3.21Å; Q146-G190 CarbonylContact C-O 3.58Å; Q146-G190 VanDerWaalsContact CA-O 3.3Å; Q146-G190 WeakPolarHBondContact CA-O 3.33Å; Q146-G190 VanDerWaalsContact CG-O 3.31Å; Q146-G190 WeakPolarHBondContact CG-O 3.44Å
147R98.6Very high97.4Very high66 Ų6638.1 Ų38.125%0.24922%0.221CC..  trans-106.5-23.9175.3-63.1-170-174.8-118-6.5113.4M136 G137 N139 P141 I189 G190 I191M136-R147 WeakPolarHBondContact O-CB 3.36Å; G137-R147 PolarHBondContact O-NH1 3.23Å; N139-R147 HydrophobicContact CB-CB 4.33Å; N139-R147 PolarHBondContact ND2-O 2.91Å; N139-R147 WeakPolarHBondContact O-CD 3.38Å; N139-R147 PolarHBondContact O-NH1 3.48Å; P141-R147 HydrophobicContact CB-CG 4.08Å; R147-I189 WeakPolarHBondContact CB-O 3.23Å; R147-I189 WeakPolarHBondContact CD-O 3.34Å; R147-I189 VanDerWaalsContact CG-O 3.3Å; R147-I189 WeakPolarHBondContact CG-O 3.06Å; R147-G190 PolarHBondContact N-O 3.45Å; R147-I191 HydrophobicContact CB-CG1 4.31Å
148G98.6Very high97.4Very high0 Ų038.2 Ų38.20%022%0.219CC..EExtended strand (participates in β ladder)trans-172174.7179.200000114.3D86 Q146 I191 R192D86-G148 CarbonylContact O-C 3.57Å; D86-G148 VanDerWaalsContact O-CA 3.26Å; D86-G148 WeakPolarHBondContact O-CA 3.32Å; Q146-G148 PolarHBondContact NE2-O 3.21Å; G148-I191 WeakPolarHBondContact O-CA 3.39Å; G148-R192 PolarHBondContact O-N 3.41Å; G148-R192 VanDerWaalsContact O-N 3.13Å
149V98.9Very high97.4Very high0 Ų037.2 Ų37.20%021%0.213CC..EExtended strand (participates in β ladder)trans-142.1134.1172.457.40000110.3D86 V87 A88 M136 I151 R192 I240 I241D86-V149 PolarHBondContact O-N 2.89Å; V87-V149 WeakPolarHBondContact CA-O 3.26Å; V87-V149 HydrophobicContact CB-CG1 4.34Å; V87-V149 HydrophobicContact CG1-CG1 4.22Å; V87-V149 HydrophobicContact CG2-CG1 3.81Å; A88-V149 PolarHBondContact N-O 2.7Å; M136-V149 WeakPolarHBondContact CE-O 3.37Å; V149-I151 HydrophobicContact CG2-CD1 4.44Å; V149-I151 HydrophobicContact CG2-CG1 4.09Å; V149-R192 CarbonylContact C-O 3.56Å; V149-R192 WeakPolarHBondContact CA-O 3.42Å; V149-R192 HydrophobicContact CB-CB 4.42Å; V149-R192 HydrophobicContact CG2-CB 4.1Å; V149-I240 HydrophobicContact CG2-CG2 4.29Å; V149-I241 HydrophobicContact CG1-CG1 4.09Å; V149-I241 HydrophobicContact CG1-CG2 4.4Å
150I98.9Very high97.4Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-113.6130.8176.5-55.4172.5000108.8A88 I129 V132 M136 L186 I191 R192 V193 M194A88-I150 HydrophobicContact CB-CG1 4.27Å; A88-I150 HydrophobicContact CB-CG2 4.26Å; A88-I150 CarbonylContact O-C 3.56Å; A88-I150 WeakPolarHBondContact O-CA 3.32Å; I129-I150 HydrophobicContact CG1-CG2 3.99Å; I129-I150 HydrophobicContact CG2-CD1 4.06Å; V132-I150 HydrophobicContact CG1-CD1 3.87Å; V132-I150 HydrophobicContact CG1-CG1 4.17Å; M136-I150 HydrophobicContact CE-CG1 4.07Å; M136-I150 HydrophobicContact SD-CD1 4.4Å; M136-I150 HydrophobicContact SD-CG1 3.94Å; I150-L186 HydrophobicContact CD1-CD1 4.03Å; I150-I191 HydrophobicContact CD1-CG2 4.06Å; I150-I191 HydrophobicContact CG1-CG2 4.08Å; I150-R192 PolarHBondContact N-O 3.21Å; I150-V193 HydrophobicContact CB-CG2 4.43Å; I150-V193 CarbonylContact O-C 3.59Å; I150-V193 WeakPolarHBondContact O-CA 3.46Å; I150-M194 PolarHBondContact O-N 3.42Å
151I99Very high97.3Very high0 Ų033.9 Ų33.90%021%0.208CC..EExtended strand (participates in β ladder)trans-124.8118.5-178.2-57.6170.3000108.4A88 V89 N90 V149 M194 I196 V237 I240 I241A88-I151 PolarHBondContact O-N 3.41Å; V89-I151 CarbonylContact C-O 3.57Å; V89-I151 WeakPolarHBondContact CA-O 3.15Å; V89-I151 HydrophobicContact CG1-CB 4.45Å; N90-I151 PolarHBondContact N-O 2.94Å; V149-I151 HydrophobicContact CG2-CD1 4.44Å; V149-I151 HydrophobicContact CG2-CG1 4.09Å; I151-M194 CarbonylContact C-O 3.58Å; I151-M194 VanDerWaalsContact CA-O 3.31Å; I151-M194 WeakPolarHBondContact CA-O 3.43Å; I151-I196 HydrophobicContact CG2-CD1 3.96Å; I151-I196 HydrophobicContact CG2-CG1 4.18Å; I151-V237 HydrophobicContact CD1-CG1 3.85Å; I151-V237 HydrophobicContact CG2-CG2 4.36Å; I151-I240 HydrophobicContact CD1-CB 3.91Å; I151-I240 HydrophobicContact CD1-CG2 3.63Å; I151-I240 HydrophobicContact CG1-CG2 3.79Å; I151-I240 HydrophobicContact CG2-CD1 4.34Å; I151-I241 HydrophobicContact CD1-CD1 4.45Å; I151-I241 HydrophobicContact CD1-CG1 3.83Å
152N98.9Very high97.3Very high0 Ų034.5 Ų34.50%021%0.206CC..EExtended strand (participates in β ladder)trans-102.1151.1-179.4-47.9-56.1000111.8N90 T125 I175 M194 T195 I196N90-N152 PolarHBondContact ND2-OD1 3.34Å; T125-N152 HydrophobicContact CG2-CB 4.32Å; N152-I175 HydrophobicContact CB-CG2 3.63Å; N152-M194 PolarHBondContact N-O 3.38Å; N152-T195 HydrophobicContact CB-CG2 4.42Å; N152-T195 PolarHBondContact ND2-OG1 3.43Å; N152-T195 CarbonylContact O-C 3.58Å; N152-T195 WeakPolarHBondContact O-CA 3.41Å; N152-I196 PolarHBondContact O-N 3.41Å
153T98.9Very high97.4Very high9 Ų935.6 Ų35.66%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-104.4102173.1-47.50000110.6L22 N90 C91 K172 P198 Y233L22-T153 HydrophobicContact CD1-CG2 4.25Å; N90-T153 WeakPolarHBondContact O-CB 3.5Å; N90-T153 PolarHBondContact O-N 3.04Å; N90-T153 PolarHBondContact O-OG1 3.23Å; C91-T153 PolarHBondContact SG-OG1 3.39Å; C91-T153 VanDerWaalsContact SG-OG1 3.37Å; T153-K172 PolarHBondContact O-NZ 3.13Å; T153-P198 HydrophobicContact CG2-CG 3.74Å; T153-Y233 HydrophobicContact CG2-CE2 4.06Å; T153-Y233 PolarHBondContact OG1-OH 2.93Å
154A98.6Very high97.7Very high1 Ų127.7 Ų27.71%0.00818%0.181CC..  trans-80.8-138.916700000110.4I175 V176 T195 I196 A197A154-I175 HydrophobicContact CB-CB 4.46Å; A154-I175 HydrophobicContact CB-CG2 4.18Å; A154-V176 HydrophobicContact CB-CG2 3.91Å; A154-T195 HydrophobicContact CB-CG2 3.46Å; A154-T195 VanDerWaalsContact CB-CG2 3.46Å; A154-I196 PolarHBondContact N-O 2.76Å; A154-A197 HydrophobicContact CB-CB 4.3Å
155S98.6Very high97.9Very high11 Ų1126 Ų268%0.07715%0.154CC..  trans-167.8156.2172177.30000108.6A157 A158S155-A157 PolarHBondContact O-N 3.21Å; S155-A157 VanDerWaalsContact O-N 3.15Å; S155-A157 WeakPolarHBondContact OG-CB 3.26Å; S155-A157 PolarHBondContact OG-N 2.98Å; S155-A157 VanDerWaalsContact OG-N 3.1Å; S155-A158 WeakPolarHBondContact O-CB 3.22Å; S155-A158 PolarHBondContact O-N 3.5Å
156V98.4Very high98Very high4 Ų426.2 Ų26.22%0.02415%0.151CC..G310 helixtrans-56.2-23.7164.9-630000112.9A158 F159 E160 P198 R252 D254 M259V156-A158 PolarHBondContact O-N 3.02Å; V156-A158 VanDerWaalsContact O-N 3.12Å; V156-F159 PolarHBondContact O-N 2.86Å; V156-E160 PolarHBondContact O-N 2.89Å; V156-P198 PolarHBondContact N-O 3.2Å; V156-R252 VanDerWaalsContact CG1-NH2 3.28Å; V156-D254 HydrophobicContact CG1-CB 3.63Å; V156-D254 WeakPolarHBondContact CG1-OD2 3.3Å; V156-M259 HydrophobicContact CG2-CG 3.89Å; V156-M259 HydrophobicContact CG2-SD 4.25Å
157A97.6Very high98Very high2 Ų225.5 Ų25.52%0.01715%0.148CC..G310 helixtrans-62.8-15172.800000113.7S155 F159 G161 Y168 S169S155-A157 PolarHBondContact O-N 3.21Å; S155-A157 VanDerWaalsContact O-N 3.15Å; S155-A157 WeakPolarHBondContact OG-CB 3.26Å; S155-A157 PolarHBondContact OG-N 2.98Å; S155-A157 VanDerWaalsContact OG-N 3.1Å; A157-F159 PolarHBondContact O-N 2.92Å; A157-G161 PolarHBondContact O-N 3.23Å; A157-Y168 HydrophobicContact CB-CD1 3.71Å; A157-Y168 HydrophobicContact CB-CE1 3.82Å; A157-S169 WeakPolarHBondContact O-CA 3.48Å; A157-S169 WeakPolarHBondContact O-CB 3.39Å; A157-S169 PolarHBondContact O-OG 3Å
158A98.3Very high98Very high25 Ų2524.2 Ų24.221%0.20714%0.144CC..G310 helixtrans-66.9-22.2170.400000112.6S155 V156 K172 V176S155-A158 WeakPolarHBondContact O-CB 3.22Å; S155-A158 PolarHBondContact O-N 3.5Å; V156-A158 PolarHBondContact O-N 3.02Å; V156-A158 VanDerWaalsContact O-N 3.12Å; A158-K172 HydrophobicContact CB-CB 4.02Å; A158-V176 HydrophobicContact CB-CG2 3.82Å
159F98.4Very high98Very high90 Ų9025.3 Ų25.340%0.39515%0.151SC..THydrogen-bonded Turntrans-113.4-43.5-176.3-47.9-70.1000111.4V156 A157 V176 A197 V250 R252V156-F159 PolarHBondContact O-N 2.86Å; A157-F159 PolarHBondContact O-N 2.92Å; F159-V176 HydrophobicContact CE1-CG1 4.18Å; F159-V176 HydrophobicContact CE1-CG2 4.29Å; F159-V176 HydrophobicContact CZ-CG1 4.49Å; F159-V176 HydrophobicContact CZ-CG2 3.96Å; F159-A197 HydrophobicContact CE2-CB 3.76Å; F159-V250 HydrophobicContact CE2-CG1 4.37Å; F159-V250 HydrophobicContact CZ-CG1 3.86Å; F159-R252 HydrophobicContact CE2-CG 4.15Å
160E98Very high98Very high48 Ų4827.3 Ų27.322%0.22417%0.168CC..SBendtrans-126.366.7-179.6-53.289-156.500111.1V156 Q162 R252 R258 M259V156-E160 PolarHBondContact O-N 2.89Å; E160-Q162 PolarHBondContact O-N 2.79Å; E160-R252 IonicContact OE1-CZ 2.76Å; E160-R252 IonicContact OE1-NH1 2.74Å; E160-R252 PolarHBondContact OE1-NH1 2.9Å; E160-R252 IonicContact OE1-NH2 3.48Å; E160-R252 IonicContact OE2-CZ 2.76Å; E160-R252 VanDerWaalsContact OE2-CZ 3.22Å; E160-R252 IonicContact OE2-NH1 3.59Å; E160-R252 PolarHBondContact OE2-NH1 3.38Å; E160-R252 IonicContact OE2-NH2 3.31Å; E160-R252 PolarHBondContact OE2-NH2 3.29Å; E160-R258 IonicContact OE1-NE 3.16Å; E160-M259 HydrophobicContact CB-CB 4.04Å; E160-M259 WeakPolarHBondContact O-CB 3.43Å
161G95.8Very high98Very high40 Ų4027.3 Ų27.341%0.41217%0.168SC..PPolyproline II helixtrans-63.6130.8175.200000112.8A157 S169A157-G161 PolarHBondContact O-N 3.23Å; G161-S169 WeakPolarHBondContact CA-OG 3.49Å
162Q95.6Very high98Very high63 Ų6327.7 Ų27.729%0.29417%0.169SC..PPolyproline II helixtrans-81170.4176.1-54.3-168.8-85.700112.5E160 G164 Q165 M259 Q260E160-Q162 PolarHBondContact O-N 2.79Å; Q162-G164 PolarHBondContact O-N 3.38Å; Q162-Q165 HydrophobicContact CB-CG 4.19Å; Q162-Q165 WeakPolarHBondContact O-CB 3.4Å; Q162-Q165 PolarHBondContact O-N 3.23Å; Q162-M259 HydrophobicContact CG-CB 3.85Å; Q162-M259 HydrophobicContact CG-CE 4.01Å; Q162-Q260 WeakPolarHBondContact CG-O 3.49Å; Q162-Q260 PolarHBondContact NE2-O 3.07Å
163V96.9Very high98Very high87 Ų8728.9 Ų28.953%0.52718%0.182SC..THydrogen-bonded Turntrans-55.5123.8174.8172.10000110.8K99 P261K99-V163 HydrophobicContact CD-CG1 4.18Å; K99-V163 HydrophobicContact CG-CG1 4.03Å; V163-P261 WeakPolarHBondContact CB-OXT 3.37Å; V163-P261 HydrophobicContact CG2-CB 4.3Å; V163-P261 WeakPolarHBondContact CG2-OXT 3.43Å; V163-P261 PolarHBondContact N-OXT 2.61Å
164G96Very high98Very high10 Ų1029.6 Ų29.610%0.10319%0.191CC..THydrogen-bonded Turntrans90.30.8-179.800000115A97 I98 Q162A97-G164 CarbonylContact C-O 3.55Å; A97-G164 WeakPolarHBondContact CA-O 3.31Å; I98-G164 CarbonylContact C-O 3.54Å; I98-G164 PolarHBondContact N-O 3.17Å; I98-G164 CarbonylContact O-C 3.54Å; I98-G164 VanDerWaalsContact O-CA 3.29Å; I98-G164 WeakPolarHBondContact O-CA 3.24Å; I98-G164 VanDerWaalsContact O-O 3.08Å; Q162-G164 PolarHBondContact O-N 3.38Å
165Q97.7Very high98Very high39 Ų3929.5 Ų29.518%0.18219%0.19CC..  trans-94.614.3179.6-62.5-167.7-56.900114.1Q162 A167 Y168 S169Q162-Q165 HydrophobicContact CB-CG 4.19Å; Q162-Q165 WeakPolarHBondContact O-CB 3.4Å; Q162-Q165 PolarHBondContact O-N 3.23Å; Q165-A167 PolarHBondContact O-N 2.8Å; Q165-Y168 CarbonylContact O-C 3.59Å; Q165-Y168 PolarHBondContact O-N 3.42Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.74Å; Q165-S169 PolarHBondContact O-OG 3.43Å
166A98.6Very high98Very high40 Ų4030.7 Ų30.733%0.33120%0.197SC..Hα-helixtrans-50.7-49.7-174.100000113.7A170A166-A170 VanDerWaalsContact O-CB 3.24Å; A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 2.78Å
167A98.4Very high98.1Very high0 Ų033 Ų330%022%0.222CC..Hα-helixtrans-65.2-42.3177.300000112.7V96 F114 V117 Q165 S171V96-A167 HydrophobicContact CG2-CB 4.26Å; F114-A167 HydrophobicContact CB-CB 4.43Å; F114-A167 HydrophobicContact CD2-CB 3.55Å; F114-A167 HydrophobicContact CE2-CB 4.07Å; F114-A167 HydrophobicContact CG-CB 4.17Å; V117-A167 HydrophobicContact CB-CB 3.99Å; V117-A167 HydrophobicContact CG1-CB 4.09Å; V117-A167 WeakPolarHBondContact CG1-O 3.41Å; V117-A167 HydrophobicContact CG2-CB 4.14Å; Q165-A167 PolarHBondContact O-N 2.8Å; A167-S171 WeakPolarHBondContact O-CB 3.35Å; A167-S171 PolarHBondContact O-N 2.9Å
168Y98.3Very high98.1Very high40 Ų4034.1 Ų34.116%0.15723%0.227CC..Hα-helixtrans-66.6-50.6-179.7-172.5-111.2000111.3I94 A95 A157 Q165 A170 S171 K172I94-Y168 WeakPolarHBondContact O-CD2 3.49Å; I94-Y168 WeakPolarHBondContact O-CE2 3.44Å; A95-Y168 HydrophobicContact CB-CD2 3.84Å; A95-Y168 HydrophobicContact CB-CE2 3.84Å; A95-Y168 HydrophobicContact CB-CG 4.43Å; A157-Y168 HydrophobicContact CB-CD1 3.71Å; A157-Y168 HydrophobicContact CB-CE1 3.82Å; Q165-Y168 CarbonylContact O-C 3.59Å; Q165-Y168 PolarHBondContact O-N 3.42Å; Y168-A170 PolarHBondContact O-N 3.33Å; Y168-S171 PolarHBondContact O-N 2.92Å; Y168-S171 VanDerWaalsContact O-N 3.16Å; Y168-S171 PolarHBondContact O-OG 2.83Å; Y168-K172 HydrophobicContact CD1-CG 4.44Å; Y168-K172 HydrophobicContact CD2-CG 4.44Å; Y168-K172 HydrophobicContact CE1-CG 4.11Å; Y168-K172 HydrophobicContact CE2-CD 4.42Å; Y168-K172 HydrophobicContact CE2-CG 4.14Å; Y168-K172 WeakPolarHBondContact O-CG 3.45Å; Y168-K172 PolarHBondContact O-N 3.4Å
169S98.7Very high98.1Very high23 Ų2333 Ų3316%0.16122%0.217CC..Hα-helixtrans-57.5-43.9174.6-67.90000112.4A157 G161 Q165 S171 K172 G173A157-S169 WeakPolarHBondContact O-CA 3.48Å; A157-S169 WeakPolarHBondContact O-CB 3.39Å; A157-S169 PolarHBondContact O-OG 3Å; G161-S169 WeakPolarHBondContact CA-OG 3.49Å; Q165-S169 WeakPolarHBondContact O-CB 3.47Å; Q165-S169 PolarHBondContact O-N 2.74Å; Q165-S169 PolarHBondContact O-OG 3.43Å; S169-S171 PolarHBondContact O-N 3.33Å; S169-K172 PolarHBondContact O-N 2.8Å; S169-G173 WeakPolarHBondContact O-CA 3.5Å; S169-G173 PolarHBondContact O-N 2.86Å
170A98.8Very high98.2Very high42 Ų4232.4 Ų32.435%0.34722%0.218SC..Hα-helixtrans-60.2-45.5174.800000111.6F114 L118 A166 Y168 K172 G174F114-A170 HydrophobicContact CE2-CB 4.19Å; F114-A170 HydrophobicContact CZ-CB 3.8Å; L118-A170 HydrophobicContact CD1-CB 4.3Å; A166-A170 VanDerWaalsContact O-CB 3.24Å; A166-A170 WeakPolarHBondContact O-CB 3.35Å; A166-A170 PolarHBondContact O-N 2.78Å; Y168-A170 PolarHBondContact O-N 3.33Å; A170-K172 PolarHBondContact O-N 2.64Å; A170-G174 PolarHBondContact O-N 3.2Å
171S98.8Very high98.2Very high0 Ų033 Ų330%023%0.226CC..Hα-helixtrans-64.4-40.7179770000113.2N121 A167 Y168 S169 G174 I175N121-S171 WeakPolarHBondContact CB-OG 3.39Å; N121-S171 PolarHBondContact ND2-OG 2.78Å; A167-S171 WeakPolarHBondContact O-CB 3.35Å; A167-S171 PolarHBondContact O-N 2.9Å; Y168-S171 PolarHBondContact O-N 2.92Å; Y168-S171 VanDerWaalsContact O-N 3.16Å; Y168-S171 PolarHBondContact O-OG 2.83Å; S169-S171 PolarHBondContact O-N 3.33Å; S171-G174 PolarHBondContact O-N 3.4Å; S171-I175 PolarHBondContact O-N 2.86Å
172K98.7Very high98.4Very high7 Ų731.7 Ų31.73%0.0321%0.209CC..Hα-helixtrans-78.2-32.8-179.8-61.4-48.4-1611730112.2T153 A158 Y168 S169 A170 G174 I175 V176T153-K172 PolarHBondContact O-NZ 3.13Å; A158-K172 HydrophobicContact CB-CB 4.02Å; Y168-K172 HydrophobicContact CD1-CG 4.44Å; Y168-K172 HydrophobicContact CD2-CG 4.44Å; Y168-K172 HydrophobicContact CE1-CG 4.11Å; Y168-K172 HydrophobicContact CE2-CD 4.42Å; Y168-K172 HydrophobicContact CE2-CG 4.14Å; Y168-K172 WeakPolarHBondContact O-CG 3.45Å; Y168-K172 PolarHBondContact O-N 3.4Å; S169-K172 PolarHBondContact O-N 2.8Å; A170-K172 PolarHBondContact O-N 2.64Å; K172-G174 VanDerWaalsContact C-N 3.34Å; K172-I175 HydrophobicContact CD-CD1 3.78Å; K172-I175 PolarHBondContact O-N 2.84Å; K172-V176 WeakPolarHBondContact O-CG2 3.46Å; K172-V176 PolarHBondContact O-N 3.16Å
173G98.9Very high98.5Very high26 Ų2628.9 Ų28.927%0.26820%0.197SC..Hα-helixtrans-63.9-37169.200000112.3S169 V176 G177S169-G173 WeakPolarHBondContact O-CA 3.5Å; S169-G173 PolarHBondContact O-N 2.86Å; G173-V176 WeakPolarHBondContact O-CB 3.45Å; G173-V176 PolarHBondContact O-N 2.92Å; G173-G177 PolarHBondContact O-N 3.38Å
174G98.9Very high98.6Very high23 Ų2332.9 Ų32.924%0.23720%0.202CC..Hα-helixtrans-60.4-43.217100000112.6A170 S171 K172 V176 G177 M178A170-G174 PolarHBondContact O-N 3.2Å; S171-G174 PolarHBondContact O-N 3.4Å; K172-G174 VanDerWaalsContact C-N 3.34Å; G174-V176 PolarHBondContact O-N 2.79Å; G174-G177 PolarHBondContact O-N 2.97Å; G174-M178 WeakPolarHBondContact O-CG 3.39Å; G174-M178 PolarHBondContact O-N 3.33Å
175I98.9Very high98.8Very high0 Ų038.3 Ų38.30%023%0.229CC..Hα-helixtrans-61.9-43.9175.5-65164.4000111L122 T125 N152 A154 S171 K172 M178 T179 T195L122-I175 HydrophobicContact CD1-CG1 4.07Å; T125-I175 HydrophobicContact CG2-CG1 4.48Å; N152-I175 HydrophobicContact CB-CG2 3.63Å; A154-I175 HydrophobicContact CB-CB 4.46Å; A154-I175 HydrophobicContact CB-CG2 4.18Å; S171-I175 PolarHBondContact O-N 2.86Å; K172-I175 HydrophobicContact CD-CD1 3.78Å; K172-I175 PolarHBondContact O-N 2.84Å; I175-M178 HydrophobicContact CB-CE 4.32Å; I175-M178 HydrophobicContact CG1-CE 3.99Å; I175-M178 HydrophobicContact CG2-CE 4.38Å; I175-M178 WeakPolarHBondContact O-CG 3.47Å; I175-M178 PolarHBondContact O-N 3.01Å; I175-T179 PolarHBondContact O-N 2.81Å; I175-T179 PolarHBondContact O-OG1 3.08Å; I175-T195 HydrophobicContact CG2-CG2 3.99Å
176V98.9Very high98.8Very high36 Ų3637.6 Ų37.622%0.21823%0.226CC..Hα-helixtrans-57.2-52.8173.1164.90000110.6A154 A158 F159 K172 G173 G174 M178 T179 V250A154-V176 HydrophobicContact CB-CG2 3.91Å; A158-V176 HydrophobicContact CB-CG2 3.82Å; F159-V176 HydrophobicContact CE1-CG1 4.18Å; F159-V176 HydrophobicContact CE1-CG2 4.29Å; F159-V176 HydrophobicContact CZ-CG1 4.49Å; F159-V176 HydrophobicContact CZ-CG2 3.96Å; K172-V176 WeakPolarHBondContact O-CG2 3.46Å; K172-V176 PolarHBondContact O-N 3.16Å; G173-V176 WeakPolarHBondContact O-CB 3.45Å; G173-V176 PolarHBondContact O-N 2.92Å; G174-V176 PolarHBondContact O-N 2.79Å; V176-M178 VanDerWaalsContact C-N 3.28Å; V176-M178 PolarHBondContact O-N 2.66Å; V176-T179 WeakPolarHBondContact O-CB 3.31Å; V176-T179 PolarHBondContact O-N 3.47Å; V176-T179 VanDerWaalsContact O-N 3.15Å; V176-T179 PolarHBondContact O-OG1 3.44Å; V176-V250 HydrophobicContact CB-CG2 4.37Å; V176-V250 HydrophobicContact CG1-CG2 4.09Å; V176-V250 HydrophobicContact CG2-CG1 4.16Å; V176-V250 HydrophobicContact CG2-CG2 4.13Å
177G98.9Very high98.8Very high53 Ų5338.3 Ų38.355%0.54623%0.232SC..Hα-helixtrans-61.3-32.4-176.900000114.1G173 G174 P181G173-G177 PolarHBondContact O-N 3.38Å; G174-G177 PolarHBondContact O-N 2.97Å; G177-P181 VanDerWaalsContact O-CD 3.26Å; G177-P181 WeakPolarHBondContact O-CD 3.37Å; G177-P181 WeakPolarHBondContact O-CG 3.49Å
178M98.9Very high98.8Very high25 Ų2543.8 Ų43.812%0.12327%0.268CS..Hα-helixtrans-86.4-7.5179.575.1-179.9-177.800114.5L122 T125 F126 I129 G174 I175 V176 P181 I182L122-M178 HydrophobicContact CD1-CE 4.07Å; L122-M178 HydrophobicContact CD1-SD 3.89Å; T125-M178 HydrophobicContact CG2-CE 3.44Å; T125-M178 VanDerWaalsContact CG2-CE 3.44Å; F126-M178 HydrophobicContact CB-SD 4.34Å; F126-M178 HydrophobicContact CD2-SD 4.3Å; I129-M178 HydrophobicContact CD1-CE 3.69Å; I129-M178 HydrophobicContact CD1-SD 4.49Å; G174-M178 WeakPolarHBondContact O-CG 3.39Å; G174-M178 PolarHBondContact O-N 3.33Å; I175-M178 HydrophobicContact CB-CE 4.32Å; I175-M178 HydrophobicContact CG1-CE 3.99Å; I175-M178 HydrophobicContact CG2-CE 4.38Å; I175-M178 WeakPolarHBondContact O-CG 3.47Å; I175-M178 PolarHBondContact O-N 3.01Å; V176-M178 VanDerWaalsContact C-N 3.28Å; V176-M178 PolarHBondContact O-N 2.66Å; M178-P181 WeakPolarHBondContact O-CD 3.44Å; M178-I182 HydrophobicContact CB-CD1 3.79Å; M178-I182 HydrophobicContact CB-CG1 4.38Å; M178-I182 HydrophobicContact CG-CD1 3.76Å; M178-I182 WeakPolarHBondContact O-CB 3.42Å; M178-I182 WeakPolarHBondContact O-CD1 3.48Å; M178-I182 WeakPolarHBondContact O-CG1 3.27Å; M178-I182 PolarHBondContact O-N 3.48Å; M178-I182 HydrophobicContact SD-CD1 3.9Å
179T98.9Very high98.9Very high1 Ų145.2 Ų45.21%0.00628%0.277CS..Hα-helixtrans-63-55.5-175.4-59.90000112.3I175 V176 A183 V193 T195I175-T179 PolarHBondContact O-N 2.81Å; I175-T179 PolarHBondContact O-OG1 3.08Å; V176-T179 WeakPolarHBondContact O-CB 3.31Å; V176-T179 PolarHBondContact O-N 3.47Å; V176-T179 VanDerWaalsContact O-N 3.15Å; V176-T179 PolarHBondContact O-OG1 3.44Å; T179-A183 WeakPolarHBondContact O-CB 3.3Å; T179-A183 PolarHBondContact O-N 3.32Å; T179-V193 HydrophobicContact CG2-CG1 4.44Å; T179-T195 WeakPolarHBondContact OG1-CB 3.29Å; T179-T195 PolarHBondContact OG1-OG1 3.32Å
180L98.9Very high98.8Very high78 Ų7845 Ų4541%0.40828%0.279SS..Hα-helixtrans-65.9-46.6-178.9-178.262.3000114.3A183 R184L180-A183 WeakPolarHBondContact O-CB 3.46Å; L180-A183 PolarHBondContact O-N 2.96Å; L180-R184 WeakPolarHBondContact O-CG 3.35Å; L180-R184 PolarHBondContact O-N 3.26Å; L180-R184 VanDerWaalsContact O-N 3.09Å
181P98.9Very high98.8Very high59 Ų5943.1 Ų43.138%0.38326%0.263SS..Hα-helixtrans-63.2-42.217922.8-32.9000112G177 M178 A183 R184 D185G177-P181 VanDerWaalsContact O-CD 3.26Å; G177-P181 WeakPolarHBondContact O-CD 3.37Å; G177-P181 WeakPolarHBondContact O-CG 3.49Å; M178-P181 WeakPolarHBondContact O-CD 3.44Å; P181-A183 VanDerWaalsContact C-N 3.35Å; P181-A183 PolarHBondContact O-N 3.31Å; P181-R184 WeakPolarHBondContact O-CB 3.33Å; P181-R184 PolarHBondContact O-N 3.08Å; P181-R184 VanDerWaalsContact O-N 3.09Å; P181-D185 PolarHBondContact O-N 3.37Å
182I98.9Very high98.9Very high13 Ų1343.7 Ų43.77%0.06727%0.265CS..Hα-helixtrans-66.3-38.6177.5-60.1172.2000110.8F126 I129 M178 R184 D185 L186 V193F126-I182 HydrophobicContact CD2-CD1 4.11Å; F126-I182 HydrophobicContact CE2-CD1 4.29Å; I129-I182 HydrophobicContact CD1-CD1 4.02Å; I129-I182 HydrophobicContact CG2-CD1 4.28Å; I129-I182 HydrophobicContact CG2-CG2 3.79Å; M178-I182 HydrophobicContact CB-CD1 3.79Å; M178-I182 HydrophobicContact CB-CG1 4.38Å; M178-I182 HydrophobicContact CG-CD1 3.76Å; M178-I182 WeakPolarHBondContact O-CB 3.42Å; M178-I182 WeakPolarHBondContact O-CD1 3.48Å; M178-I182 WeakPolarHBondContact O-CG1 3.27Å; M178-I182 PolarHBondContact O-N 3.48Å; M178-I182 HydrophobicContact SD-CD1 3.9Å; I182-R184 PolarHBondContact O-N 2.8Å; I182-D185 PolarHBondContact O-N 3.44Å; I182-L186 HydrophobicContact CG2-CD1 3.8Å; I182-L186 HydrophobicContact CG2-CG 4.14Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.8Å; I182-V193 HydrophobicContact CB-CG2 4.48Å; I182-V193 HydrophobicContact CG2-CG2 3.87Å
183A98.9Very high98.9Very high4 Ų443.4 Ų43.43%0.03326%0.264CS..Hα-helixtrans-57-37.4172.900000112.4T179 L180 P181 A187 V193T179-A183 WeakPolarHBondContact O-CB 3.3Å; T179-A183 PolarHBondContact O-N 3.32Å; L180-A183 WeakPolarHBondContact O-CB 3.46Å; L180-A183 PolarHBondContact O-N 2.96Å; P181-A183 VanDerWaalsContact C-N 3.35Å; P181-A183 PolarHBondContact O-N 3.31Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.44Å; A183-A187 VanDerWaalsContact O-N 3.16Å; A183-V193 HydrophobicContact CB-CB 4Å; A183-V193 HydrophobicContact CB-CG2 4.44Å
184R98.9Very high98.9Very high172 Ų17242.1 Ų42.165%0.64925%0.251SS*.Hα-helixtrans-72.7-42176.4-71.9173.7172.6169.1-1.6112.1L180 P181 I182 L186 A187L180-R184 WeakPolarHBondContact O-CG 3.35Å; L180-R184 PolarHBondContact O-N 3.26Å; L180-R184 VanDerWaalsContact O-N 3.09Å; P181-R184 WeakPolarHBondContact O-CB 3.33Å; P181-R184 PolarHBondContact O-N 3.08Å; P181-R184 VanDerWaalsContact O-N 3.09Å; I182-R184 PolarHBondContact O-N 2.8Å; R184-L186 VanDerWaalsContact C-N 3.28Å; R184-L186 PolarHBondContact O-N 3.31Å; R184-A187 PolarHBondContact O-N 2.71Å
185D98.9Very high98.9Very high123 Ų12341 Ų4166%0.65824%0.24SC*.Hα-helixtrans-60-40.3178.1-70.8-14.4000111.7P181 I182 P188P181-D185 PolarHBondContact O-N 3.37Å; I182-D185 PolarHBondContact O-N 3.44Å; D185-P188 WeakPolarHBondContact O-CD 3.21Å
186L98.9Very high98.9Very high24 Ų2441 Ų4113%0.12624%0.24CC..Hα-helixtrans-94.2-3.4-175.8-51.3-179.8000114.1A133 I150 I182 R184 P188 I189 G190 I191 V193A133-L186 HydrophobicContact CB-CD1 3.93Å; A133-L186 HydrophobicContact CB-CD2 3.95Å; I150-L186 HydrophobicContact CD1-CD1 4.03Å; I182-L186 HydrophobicContact CG2-CD1 3.8Å; I182-L186 HydrophobicContact CG2-CG 4.14Å; I182-L186 WeakPolarHBondContact O-CG 3.45Å; I182-L186 PolarHBondContact O-N 2.8Å; R184-L186 VanDerWaalsContact C-N 3.28Å; R184-L186 PolarHBondContact O-N 3.31Å; L186-P188 VanDerWaalsContact C-CD 3.49Å; L186-I189 HydrophobicContact CB-CG1 4.38Å; L186-I189 HydrophobicContact CD2-CD1 4.17Å; L186-I189 WeakPolarHBondContact O-CG1 3.42Å; L186-I189 PolarHBondContact O-N 3.28Å; L186-G190 PolarHBondContact O-N 2.77Å; L186-I191 HydrophobicContact CB-CB 3.93Å; L186-I191 HydrophobicContact CB-CG2 4.47Å; L186-I191 HydrophobicContact CD1-CB 4.31Å; L186-I191 HydrophobicContact CD1-CG2 4Å; L186-I191 PolarHBondContact O-N 3.2Å; L186-V193 HydrophobicContact CD1-CG2 4.05Å
187A98.8Very high98.9Very high55 Ų5539.3 Ų39.346%0.45523%0.229SC..G310 helixtrans-57.5-42.5177.800000113.6A183 R184 I189 G190A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.44Å; A183-A187 VanDerWaalsContact O-N 3.16Å; R184-A187 PolarHBondContact O-N 2.71Å; A187-I189 PolarHBondContact O-N 3.03Å; A187-I189 VanDerWaalsContact O-N 3.13Å; A187-G190 PolarHBondContact O-N 3.2Å
188P98.7Very high98.8Very high116 Ų11637.1 Ų37.175%0.75321%0.205SC*.G310 helixtrans-61-23.1179.1-24.735.9000114.3D185 L186D185-P188 WeakPolarHBondContact O-CD 3.21Å; L186-P188 VanDerWaalsContact C-CD 3.49Å
189I98.6Very high98.8Very high69 Ų6936.6 Ų36.635%0.35421%0.206SC..G310 helixtrans-105.312.3177.962.4171.8000112.7R147 L186 A187 I191R147-I189 WeakPolarHBondContact CB-O 3.23Å; R147-I189 WeakPolarHBondContact CD-O 3.34Å; R147-I189 VanDerWaalsContact CG-O 3.3Å; R147-I189 WeakPolarHBondContact CG-O 3.06Å; L186-I189 HydrophobicContact CB-CG1 4.38Å; L186-I189 HydrophobicContact CD2-CD1 4.17Å; L186-I189 WeakPolarHBondContact O-CG1 3.42Å; L186-I189 PolarHBondContact O-N 3.28Å; A187-I189 PolarHBondContact O-N 3.03Å; A187-I189 VanDerWaalsContact O-N 3.13Å; I189-I191 HydrophobicContact CD1-CD1 3.59Å; I189-I191 HydrophobicContact CD1-CG1 4.36Å; I189-I191 HydrophobicContact CG1-CD1 3.97Å; I189-I191 HydrophobicContact CG1-CG1 4.19Å; I189-I191 PolarHBondContact O-N 3.41Å
190G98.5Very high98.6Very high19 Ų1937.8 Ų37.820%0.19621%0.212CC..THydrogen-bonded Turntrans68.333.5171.800000114.4Q146 R147 L186 A187Q146-G190 CarbonylContact C-O 3.58Å; Q146-G190 VanDerWaalsContact CA-O 3.3Å; Q146-G190 WeakPolarHBondContact CA-O 3.33Å; Q146-G190 VanDerWaalsContact CG-O 3.31Å; Q146-G190 WeakPolarHBondContact CG-O 3.44Å; R147-G190 PolarHBondContact N-O 3.45Å; L186-G190 PolarHBondContact O-N 2.77Å; A187-G190 PolarHBondContact O-N 3.2Å
191I98.9Very high98.5Very high2 Ų234.6 Ų34.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-108.4123.3174.6-57.6169.3000109.2A133 M136 R147 G148 I150 L186 I189A133-I191 HydrophobicContact CB-CD1 4.33Å; M136-I191 HydrophobicContact CB-CD1 3.53Å; M136-I191 HydrophobicContact CB-CG1 4.07Å; M136-I191 HydrophobicContact SD-CD1 4.38Å; M136-I191 HydrophobicContact SD-CG2 3.92Å; R147-I191 HydrophobicContact CB-CG1 4.31Å; G148-I191 WeakPolarHBondContact O-CA 3.39Å; I150-I191 HydrophobicContact CD1-CG2 4.06Å; I150-I191 HydrophobicContact CG1-CG2 4.08Å; L186-I191 HydrophobicContact CB-CB 3.93Å; L186-I191 HydrophobicContact CB-CG2 4.47Å; L186-I191 HydrophobicContact CD1-CB 4.31Å; L186-I191 HydrophobicContact CD1-CG2 4Å; L186-I191 PolarHBondContact O-N 3.2Å; I189-I191 HydrophobicContact CD1-CD1 3.59Å; I189-I191 HydrophobicContact CD1-CG1 4.36Å; I189-I191 HydrophobicContact CG1-CD1 3.97Å; I189-I191 HydrophobicContact CG1-CG1 4.19Å; I189-I191 PolarHBondContact O-N 3.41Å
192R98.9Very high98.2Very high13 Ų1333 Ų335%0.04919%0.189CC..EExtended strand (participates in β ladder)trans-84.7149.8175.2-63.6-173.7-64.4110.5-7.1111G148 V149 I150 I240 I241 N243 P244 L246 N247G148-R192 PolarHBondContact O-N 3.41Å; G148-R192 VanDerWaalsContact O-N 3.13Å; V149-R192 CarbonylContact C-O 3.56Å; V149-R192 WeakPolarHBondContact CA-O 3.42Å; V149-R192 HydrophobicContact CB-CB 4.42Å; V149-R192 HydrophobicContact CG2-CB 4.1Å; I150-R192 PolarHBondContact N-O 3.21Å; R192-I240 PolarHBondContact NH1-O 2.96Å; R192-I240 PolarHBondContact NH2-O 3.16Å; R192-I241 PolarHBondContact NH2-O 3.41Å; R192-N243 PolarHBondContact NH1-O 3.21Å; R192-N243 PolarHBondContact NH2-O 3.39Å; R192-P244 WeakPolarHBondContact CD-O 3.49Å; R192-L246 WeakPolarHBondContact CD-O 3.26Å; R192-L246 PolarHBondContact NH1-O 2.77Å; R192-N247 VanDerWaalsContact CA-OD1 3.31Å; R192-N247 WeakPolarHBondContact CA-OD1 3.43Å; R192-N247 HydrophobicContact CB-CB 4.4Å; R192-N247 HydrophobicContact CG-CB 4.2Å
193V98.9Very high97.6Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-130.5124.1173.6-173.60000109I150 T179 I182 A183 L186 N247 G248I150-V193 HydrophobicContact CB-CG2 4.43Å; I150-V193 CarbonylContact O-C 3.59Å; I150-V193 WeakPolarHBondContact O-CA 3.46Å; T179-V193 HydrophobicContact CG2-CG1 4.44Å; I182-V193 HydrophobicContact CB-CG2 4.48Å; I182-V193 HydrophobicContact CG2-CG2 3.87Å; A183-V193 HydrophobicContact CB-CB 4Å; A183-V193 HydrophobicContact CB-CG2 4.44Å; L186-V193 HydrophobicContact CD1-CG2 4.05Å; V193-N247 PolarHBondContact N-OD1 2.82Å; V193-N247 PolarHBondContact O-OD1 2.95Å; V193-G248 WeakPolarHBondContact O-CA 3.29Å; V193-G248 PolarHBondContact O-N 3.08Å
194M98.9Very high96.9Very high0 Ų036.8 Ų36.80%021%0.214CC..EExtended strand (participates in β ladder)trans-129.5157.4178.8-76.9-66.2-63.200109.8I150 I151 N152 I240 L246 N247 E249 I251I150-M194 PolarHBondContact O-N 3.42Å; I151-M194 CarbonylContact C-O 3.58Å; I151-M194 VanDerWaalsContact CA-O 3.31Å; I151-M194 WeakPolarHBondContact CA-O 3.43Å; N152-M194 PolarHBondContact N-O 3.38Å; M194-I240 HydrophobicContact CB-CD1 4.37Å; M194-I240 HydrophobicContact CB-CG2 3.75Å; M194-I240 HydrophobicContact CE-CD1 4.46Å; M194-I240 HydrophobicContact CE-CG1 4.48Å; M194-I240 HydrophobicContact CG-CG2 3.65Å; M194-L246 HydrophobicContact CE-CB 4.05Å; M194-L246 HydrophobicContact CE-CD2 4.37Å; M194-L246 HydrophobicContact CG-CB 4.31Å; M194-L246 VanDerWaalsContact SD-C 3.5Å; M194-L246 HydrophobicContact SD-CB 3.98Å; M194-N247 PolarHBondContact SD-N 3.41Å; M194-N247 VanDerWaalsContact SD-N 3.44Å; M194-E249 HydrophobicContact CE-CB 3.91Å; M194-E249 HydrophobicContact SD-CB 3.92Å; M194-I251 HydrophobicContact CE-CD1 3.62Å; M194-I251 HydrophobicContact CE-CG1 3.88Å
195T99Very high95.9Very high0 Ų034 Ų340%021%0.211CC..EExtended strand (participates in β ladder)trans-132.4137174.6-69.20000109.7N152 A154 I175 T179 E249 V250 I251N152-T195 HydrophobicContact CB-CG2 4.42Å; N152-T195 PolarHBondContact ND2-OG1 3.43Å; N152-T195 CarbonylContact O-C 3.58Å; N152-T195 WeakPolarHBondContact O-CA 3.41Å; A154-T195 HydrophobicContact CB-CG2 3.46Å; A154-T195 VanDerWaalsContact CB-CG2 3.46Å; I175-T195 HydrophobicContact CG2-CG2 3.99Å; T179-T195 WeakPolarHBondContact OG1-CB 3.29Å; T179-T195 PolarHBondContact OG1-OG1 3.32Å; T195-E249 PolarHBondContact N-O 3.45Å; T195-V250 HydrophobicContact CG2-CG1 3.99Å; T195-V250 HydrophobicContact CG2-CG2 4.18Å; T195-V250 CarbonylContact O-C 3.59Å; T195-V250 VanDerWaalsContact O-CA 3.27Å; T195-V250 WeakPolarHBondContact O-CA 3.44Å; T195-I251 PolarHBondContact O-N 3.38Å
196I98.9Very high95Very high0 Ų029.6 Ų29.60%019%0.187CC..EExtended strand (participates in β ladder)trans-103.7135.2169.2-58.7170.5000107.1I151 N152 A154 P198 Y233 L236 V237 I240 I251 L253I151-I196 HydrophobicContact CG2-CD1 3.96Å; I151-I196 HydrophobicContact CG2-CG1 4.18Å; N152-I196 PolarHBondContact O-N 3.41Å; A154-I196 PolarHBondContact N-O 2.76Å; I196-P198 HydrophobicContact CG2-CG 4.18Å; I196-P198 WeakPolarHBondContact O-CD 3.26Å; I196-Y233 HydrophobicContact CB-CE2 3.83Å; I196-Y233 HydrophobicContact CD1-CD2 4.27Å; I196-Y233 HydrophobicContact CD1-CE2 3.76Å; I196-Y233 HydrophobicContact CG1-CE2 4.41Å; I196-Y233 HydrophobicContact CG2-CD2 3.88Å; I196-Y233 HydrophobicContact CG2-CE2 3.65Å; I196-L236 HydrophobicContact CB-CD2 4.46Å; I196-L236 HydrophobicContact CD1-CB 4.27Å; 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 4.2Å; I196-L236 HydrophobicContact CG2-CD2 3.79Å; I196-V237 HydrophobicContact CD1-CG2 3.69Å; I196-I240 HydrophobicContact CD1-CD1 3.81Å; I196-I240 HydrophobicContact CG1-CD1 3.7Å; I196-I251 CarbonylContact C-O 3.39Å; I196-I251 WeakPolarHBondContact CA-O 3.5Å; I196-L253 HydrophobicContact CG2-CB 4.17Å
197A98.8Very high94.2Very high0 Ų031.4 Ų31.40%020%0.2CC..EExtended strand (participates in β ladder)trans-110.690172.100000109.4A154 F159 V250 I251 R252 L253A154-A197 HydrophobicContact CB-CB 4.3Å; F159-A197 HydrophobicContact CE2-CB 3.76Å; A197-V250 HydrophobicContact CB-CG1 3.84Å; A197-I251 PolarHBondContact N-O 3.3Å; A197-R252 HydrophobicContact CB-CG 4.42Å; A197-R252 WeakPolarHBondContact O-CA 3.49Å; A197-L253 PolarHBondContact O-N 3.12Å; A197-L253 VanDerWaalsContact O-N 3.08Å
198P98.4Very high93.2Very high7 Ų733.3 Ų33.35%0.04521%0.209CC..EExtended strand (participates in β ladder)trans-68.6144.9179.8-17.331.5000111.7L22 T153 V156 I196 F201 Y233 L253L22-P198 HydrophobicContact CD1-CG 4.08Å; T153-P198 HydrophobicContact CG2-CG 3.74Å; V156-P198 PolarHBondContact N-O 3.2Å; I196-P198 HydrophobicContact CG2-CG 4.18Å; I196-P198 WeakPolarHBondContact O-CD 3.26Å; P198-F201 HydrophobicContact CB-CD2 3.7Å; P198-F201 HydrophobicContact CB-CE2 3.63Å; P198-Y233 HydrophobicContact CG-CD2 3.87Å; P198-Y233 HydrophobicContact CG-CE2 3.82Å; P198-L253 WeakPolarHBondContact CA-O 3.49Å
199G97.3Very high92.4Very high13 Ų1330.6 Ų30.613%0.13419%0.188CC..  trans-76-138.5161.500000112L253G199-L253 PolarHBondContact N-O 3.38Å
200L95.8Very high91.9Very high27 Ų2731.4 Ų31.414%0.14120%0.198CC..SBendtrans-87.2118.4178.8-59.4174000110.3L206 L217 L227 G228 I257 M259L200-L206 HydrophobicContact CB-CD1 4.3Å; L200-L206 HydrophobicContact CD2-CD1 4.22Å; L200-L217 HydrophobicContact CD1-CB 4.11Å; L200-L217 HydrophobicContact CD1-CD2 4.16Å; L200-L227 HydrophobicContact CB-CD2 3.75Å; L200-G228 PolarHBondContact O-N 3.32Å; L200-I257 HydrophobicContact CD1-CD1 3.8Å; L200-I257 HydrophobicContact CG-CD1 4.36Å; L200-M259 HydrophobicContact CD2-CE 4.22Å
201F96.6Very high91.6Very high11 Ų1136.4 Ų36.45%0.04822%0.216CC..BIsolated β-bridgetrans-120.5146.4-178.6-84.4-103.7000112.5L22 P198 T203 L206 G228 D229 E232 L253L22-F201 HydrophobicContact CD2-CB 4.12Å; L22-F201 HydrophobicContact CD2-CD1 3.85Å; L22-F201 HydrophobicContact CD2-CG 4.06Å; P198-F201 HydrophobicContact CB-CD2 3.7Å; P198-F201 HydrophobicContact CB-CE2 3.63Å; F201-T203 HydrophobicContact CB-CG2 4.12Å; F201-T203 PolarHBondContact O-N 2.89Å; F201-L206 WeakPolarHBondContact O-CD1 3.41Å; F201-G228 CarbonylContact C-O 3.47Å; F201-G228 WeakPolarHBondContact CA-O 3.4Å; F201-G228 VanDerWaalsContact CD1-C 3.43Å; F201-G228 WeakPolarHBondContact CD1-O 3.25Å; F201-D229 VanDerWaalsContact CE1-O 3.3Å; F201-D229 WeakPolarHBondContact CE1-O 3.4Å; F201-E232 HydrophobicContact CE1-CB 4.47Å; F201-L253 HydrophobicContact CE1-CD2 4.34Å; F201-L253 HydrophobicContact CE2-CG 4.46Å; F201-L253 WeakPolarHBondContact CE2-O 3.34Å; F201-L253 HydrophobicContact CZ-CD2 3.62Å; F201-L253 HydrophobicContact CZ-CG 3.84Å
202G91.7Very high91.2Very high24 Ų2445.1 Ų45.125%0.24725%0.254CS..  trans-70.761.4175.900000113.8G228G202-G228 PolarHBondContact N-O 2.96Å
203T87.9Confident90.7Very high22 Ų2247.4 Ų47.414%0.13527%0.27CS..  trans-89.6166.7174.663.50000111L22 F201 L205 L206 T207L22-T203 HydrophobicContact CD2-CG2 3.95Å; L22-T203 HydrophobicContact CG-CG2 3.94Å; F201-T203 HydrophobicContact CB-CG2 4.12Å; F201-T203 PolarHBondContact O-N 2.89Å; T203-L205 PolarHBondContact O-N 2.78Å; T203-L206 PolarHBondContact O-N 2.82Å; T203-T207 WeakPolarHBondContact O-CB 3.38Å; T203-T207 WeakPolarHBondContact O-CG2 3.49Å; T203-T207 PolarHBondContact O-N 3.12Å; T203-T207 PolarHBondContact O-OG1 3.02Å
204P84.3Confident90.2Very high75 Ų7551 Ų5149%0.48728%0.283SS..Hα-helixtrans-49.2-34173.2-31.438.3000113.8T207 S208P204-T207 VanDerWaalsContact CA-OG1 3.23Å; P204-T207 WeakPolarHBondContact CA-OG1 3.46Å; P204-T207 PolarHBondContact O-OG1 3.09Å; P204-S208 WeakPolarHBondContact O-CB 3.31Å; P204-S208 PolarHBondContact O-N 3.35Å; P204-S208 PolarHBondContact O-OG 2.96Å
205L77.3Confident89.9Confident114 Ų11455.4 Ų55.460%0.59731%0.307SS*.Hα-helixtrans-59.2-49.4176.2-179.764000112.6A95 T203 S208A95-L205 HydrophobicContact CB-CD2 4.49Å; T203-L205 PolarHBondContact O-N 2.78Å; L205-S208 PolarHBondContact O-OG 3.1Å; L205-S208 VanDerWaalsContact O-OG 3.08Å
206L80.8Confident89.5Confident30 Ų3061.3 Ų61.316%0.15733%0.333CS..Hα-helixtrans-87.5-29.8-178.8-66.8-168.6000113L200 F201 T203 S208 L209 R214 L217 L227L200-L206 HydrophobicContact CB-CD1 4.3Å; L200-L206 HydrophobicContact CD2-CD1 4.22Å; F201-L206 WeakPolarHBondContact O-CD1 3.41Å; T203-L206 PolarHBondContact O-N 2.82Å; L206-S208 VanDerWaalsContact C-N 3.26Å; L206-S208 PolarHBondContact O-N 2.93Å; L206-L209 HydrophobicContact CD2-CD1 3.79Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 2.94Å; L206-L209 VanDerWaalsContact O-N 3.17Å; L206-R214 VanDerWaalsContact O-CD 3.29Å; L206-R214 WeakPolarHBondContact O-CD 3.43Å; L206-R214 WeakPolarHBondContact O-CG 3.46Å; L206-L217 HydrophobicContact CD2-CD1 4.37Å; L206-L227 HydrophobicContact CD1-CD2 4.38Å
207T80.6Confident89.2Confident62 Ų6262.8 Ų62.838%0.3834%0.34SS..Hα-helixtrans-71.1-21.9-178.352.10000113.1T203 P204 L209 R214T203-T207 WeakPolarHBondContact O-CB 3.38Å; T203-T207 WeakPolarHBondContact O-CG2 3.49Å; T203-T207 PolarHBondContact O-N 3.12Å; T203-T207 PolarHBondContact O-OG1 3.02Å; P204-T207 VanDerWaalsContact CA-OG1 3.23Å; P204-T207 WeakPolarHBondContact CA-OG1 3.46Å; P204-T207 PolarHBondContact O-OG1 3.09Å; T207-L209 VanDerWaalsContact C-N 3.28Å; T207-R214 PolarHBondContact O-NH1 3.49Å
208S78.3Confident88.9Confident95 Ų9563.6 Ų63.666%0.66435%0.347SS*.THydrogen-bonded Turntrans-74.6-13.717263.50000114.1P204 L205 L206P204-S208 WeakPolarHBondContact O-CB 3.31Å; P204-S208 PolarHBondContact O-N 3.35Å; P204-S208 PolarHBondContact O-OG 2.96Å; L205-S208 PolarHBondContact O-OG 3.1Å; L205-S208 VanDerWaalsContact O-OG 3.08Å; L206-S208 VanDerWaalsContact C-N 3.26Å; L206-S208 PolarHBondContact O-N 2.93Å
209L82.3Confident88.7Confident59 Ų5966.7 Ų66.731%0.30937%0.369SS..SBendtrans-71151.9176.8-62.6175.6000111.3L206 T207 V213 R214 L217L206-L209 HydrophobicContact CD2-CD1 3.79Å; L206-L209 WeakPolarHBondContact O-CB 3.49Å; L206-L209 PolarHBondContact O-N 2.94Å; L206-L209 VanDerWaalsContact O-N 3.17Å; T207-L209 VanDerWaalsContact C-N 3.28Å; L209-V213 HydrophobicContact CB-CB 4.39Å; L209-V213 HydrophobicContact CB-CG1 4.37Å; L209-V213 HydrophobicContact CD1-CG1 4.07Å; L209-R214 HydrophobicContact CB-CG 4.03Å; L209-R214 WeakPolarHBondContact O-CD 3.49Å; L209-R214 PolarHBondContact O-NE 3.15Å; L209-R214 VanDerWaalsContact O-NE 3.16Å; L209-L217 HydrophobicContact CD1-CD1 4.03Å
210P88.8Confident88.6Confident86 Ų8669.8 Ų69.856%0.55838%0.38SS*.  trans-53.4143.2174.9-25.434000112.1K212 V213 R214P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 3.05Å; P210-V213 HydrophobicContact CB-CG2 4.22Å; P210-V213 HydrophobicContact CG-CG2 4.36Å; P210-V213 WeakPolarHBondContact O-CA 3.32Å; P210-V213 WeakPolarHBondContact O-CB 3.33Å; P210-V213 PolarHBondContact O-N 3.33Å; P210-R214 PolarHBondContact O-N 3.27Å
211E90.6Very high88.7Confident124 Ų12468.8 Ų68.858%0.57938%0.375SS*.Hα-helixtrans-52.4-42.7-176.6-169.5-173.1160.600113.3V213 R214 N215E211-V213 VanDerWaalsContact C-N 3.26Å; E211-V213 PolarHBondContact O-N 2.84Å; E211-R214 PolarHBondContact O-N 3.15Å; E211-R214 VanDerWaalsContact O-N 3.12Å; E211-N215 WeakPolarHBondContact O-CB 3.18Å; E211-N215 VanDerWaalsContact O-CG 3.29Å; E211-N215 PolarHBondContact O-N 3.29Å
212K90.6Very high88.8Confident185 Ų18572 Ų7280%0.80440%0.396SS*.Hα-helixtrans-57.3-39.2176-68.1-173.1179-177.60112.7P210 F216P210-K212 VanDerWaalsContact C-N 3.27Å; P210-K212 PolarHBondContact O-N 3.05Å; K212-F216 WeakPolarHBondContact O-CB 3.49Å; K212-F216 PolarHBondContact O-N 3.47Å
213V88.2Confident89.1Confident62 Ų6278.9 Ų78.938%0.37642%0.42SS..Hα-helixtrans-70.2-43177.7-178.80000110L209 P210 E211 N215 F216 L217L209-V213 HydrophobicContact CB-CB 4.39Å; L209-V213 HydrophobicContact CB-CG1 4.37Å; L209-V213 HydrophobicContact CD1-CG1 4.07Å; P210-V213 HydrophobicContact CB-CG2 4.22Å; P210-V213 HydrophobicContact CG-CG2 4.36Å; P210-V213 WeakPolarHBondContact O-CA 3.32Å; P210-V213 WeakPolarHBondContact O-CB 3.33Å; P210-V213 PolarHBondContact O-N 3.33Å; E211-V213 VanDerWaalsContact C-N 3.26Å; E211-V213 PolarHBondContact O-N 2.84Å; V213-N215 PolarHBondContact O-N 3.3Å; V213-F216 PolarHBondContact O-N 3.33Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 HydrophobicContact CG1-CG 4.46Å; V213-L217 WeakPolarHBondContact O-CB 3.45Å; V213-L217 VanDerWaalsContact O-CG 3.3Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å
214R89.7Confident89.5Confident76 Ų7680 Ų8029%0.28743%0.427SS..Hα-helixtrans-61.2-44.4176.7-64.3-174.8-65.7161.96112L206 T207 L209 P210 E211 L217 A218L206-R214 VanDerWaalsContact O-CD 3.29Å; L206-R214 WeakPolarHBondContact O-CD 3.43Å; L206-R214 WeakPolarHBondContact O-CG 3.46Å; T207-R214 PolarHBondContact O-NH1 3.49Å; L209-R214 HydrophobicContact CB-CG 4.03Å; L209-R214 WeakPolarHBondContact O-CD 3.49Å; L209-R214 PolarHBondContact O-NE 3.15Å; L209-R214 VanDerWaalsContact O-NE 3.16Å; P210-R214 PolarHBondContact O-N 3.27Å; E211-R214 PolarHBondContact O-N 3.15Å; E211-R214 VanDerWaalsContact O-N 3.12Å; R214-L217 PolarHBondContact O-N 3.21Å; R214-A218 WeakPolarHBondContact O-CB 3.46Å; R214-A218 PolarHBondContact O-N 3.29Å
215N91.8Very high90.1Very high92 Ų9280 Ų8049%0.49243%0.429SS..Hα-helixtrans-66.2-39.7178.6-67.5-8.9000111.8E211 V213 A218 S219E211-N215 WeakPolarHBondContact O-CB 3.18Å; E211-N215 VanDerWaalsContact O-CG 3.29Å; E211-N215 PolarHBondContact O-N 3.29Å; V213-N215 PolarHBondContact O-N 3.3Å; N215-A218 PolarHBondContact O-N 3.09Å; N215-S219 PolarHBondContact O-N 3.23Å
216F92.1Very high91Very high124 Ų12479 Ų7954%0.54442%0.418SS..Hα-helixtrans-63.6-44.3173.7174.8-101000112.1K212 V213 A218 S219 Q220K212-F216 WeakPolarHBondContact O-CB 3.49Å; K212-F216 PolarHBondContact O-N 3.47Å; V213-F216 PolarHBondContact O-N 3.33Å; F216-A218 VanDerWaalsContact C-N 3.34Å; F216-A218 PolarHBondContact O-N 3.44Å; F216-S219 PolarHBondContact O-N 2.91Å; F216-S219 PolarHBondContact O-OG 2.98Å; F216-Q220 HydrophobicContact CE1-CG 4.49Å; F216-Q220 WeakPolarHBondContact O-CG 3.49Å; F216-Q220 PolarHBondContact O-N 3.48Å
217L91.2Very high91.8Very high31 Ų3179 Ų7916%0.16242%0.417CS..Hα-helixtrans-61.9-42.9175.8-74.1175.1000111.6L200 L206 L209 V213 R214 S219 Q220 L227L200-L217 HydrophobicContact CD1-CB 4.11Å; L200-L217 HydrophobicContact CD1-CD2 4.16Å; L206-L217 HydrophobicContact CD2-CD1 4.37Å; L209-L217 HydrophobicContact CD1-CD1 4.03Å; V213-L217 HydrophobicContact CG1-CD1 4.16Å; V213-L217 HydrophobicContact CG1-CG 4.46Å; V213-L217 WeakPolarHBondContact O-CB 3.45Å; V213-L217 VanDerWaalsContact O-CG 3.3Å; V213-L217 WeakPolarHBondContact O-CG 3.43Å; V213-L217 PolarHBondContact O-N 3.02Å; R214-L217 PolarHBondContact O-N 3.21Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.72Å; L217-Q220 WeakPolarHBondContact O-CB 3.35Å; L217-Q220 PolarHBondContact O-N 2.94Å; L217-L227 HydrophobicContact CB-CD2 4.25Å
218A92.9Very high92.6Very high17 Ų1776.5 Ų76.514%0.1440%0.404CS..Hα-helixtrans-59.2-41.7174.700000112.4R214 N215 F216 Q220 V221 L227R214-A218 WeakPolarHBondContact O-CB 3.46Å; R214-A218 PolarHBondContact O-N 3.29Å; N215-A218 PolarHBondContact O-N 3.09Å; F216-A218 VanDerWaalsContact C-N 3.34Å; F216-A218 PolarHBondContact O-N 3.44Å; A218-Q220 PolarHBondContact O-N 3.29Å; A218-V221 WeakPolarHBondContact O-CB 3.35Å; A218-V221 PolarHBondContact O-N 3.37Å; A218-L227 HydrophobicContact CB-CG 4.43Å
219S94.8Very high93.5Very high71 Ų7176 Ų7650%0.49739%0.394SS..Hα-helixtrans-70-13.3-179.775.40000114N215 F216 L217 V221N215-S219 PolarHBondContact O-N 3.23Å; F216-S219 PolarHBondContact O-N 2.91Å; F216-S219 PolarHBondContact O-OG 2.98Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 2.72Å; S219-V221 VanDerWaalsContact C-N 3.29Å
220Q95.1Very high94.3Very high78 Ų7874 Ų7436%0.36439%0.385SS..THydrogen-bonded Turntrans-76.5-18.2172-60.7-61.3-52.900112.3F216 L217 A218 P222 I257F216-Q220 HydrophobicContact CE1-CG 4.49Å; F216-Q220 WeakPolarHBondContact O-CG 3.49Å; F216-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 WeakPolarHBondContact O-CB 3.35Å; L217-Q220 PolarHBondContact O-N 2.94Å; A218-Q220 PolarHBondContact O-N 3.29Å; Q220-P222 WeakPolarHBondContact O-CD 3.12Å; Q220-I257 HydrophobicContact CB-CD1 3.79Å; Q220-I257 WeakPolarHBondContact O-CG1 3.24Å
221V97.7Very high94.7Very high6 Ų671.9 Ų71.94%0.03637%0.374CS..  trans-81.8121.6178.8-176.10000109.1A218 S219 P224 S225 R226 I257A218-V221 WeakPolarHBondContact O-CB 3.35Å; A218-V221 PolarHBondContact O-N 3.37Å; S219-V221 VanDerWaalsContact C-N 3.29Å; V221-P224 VanDerWaalsContact CG1-O 3.24Å; V221-P224 WeakPolarHBondContact CG1-O 3.39Å; V221-S225 WeakPolarHBondContact O-CA 3.43Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-OG 2.89Å; V221-R226 WeakPolarHBondContact CG2-O 3.47Å; V221-I257 HydrophobicContact CG2-CD1 3.97Å
222P98.3Very high95.1Very high78 Ų7869.2 Ų69.251%0.50636%0.362SS..SBendtrans-59.1-62.7-179.6-27.935.2000114.4Q220 G255 A256Q220-P222 WeakPolarHBondContact O-CD 3.12Å; P222-G255 VanDerWaalsContact CD-O 3.26Å; P222-G255 WeakPolarHBondContact CD-O 3.35Å; P222-A256 HydrophobicContact CB-CB 4.45Å; P222-A256 HydrophobicContact CG-CB 4.37Å
223F97.4Very high95.5Very high170 Ų17060.4 Ų60.475%0.74632%0.323SS*.SBendtrans-159.7133.6177.1-174.8-95.7000111.7G255F223-G255 PolarHBondContact N-O 2.88Å; F223-G255 CarbonylContact O-C 3.53Å; F223-G255 VanDerWaalsContact O-CA 3.27Å; F223-G255 WeakPolarHBondContact O-CA 3.25Å; F223-G255 VanDerWaalsContact O-O 3.13Å
224P97.4Very high96Very high44 Ų4457.4 Ų57.429%0.28631%0.306SS..SBendcis-65.8134.2-7.628.5-35000111.5V221 R226V221-P224 VanDerWaalsContact CG1-O 3.24Å; V221-P224 WeakPolarHBondContact CG1-O 3.39Å; P224-R226 HydrophobicContact CB-CG 4.23Å; P224-R226 PolarHBondContact O-N 2.99Å
225S97.1Very high96.5Very high75 Ų7558.8 Ų58.852%0.52432%0.315SS..  trans-78.872.4-173.5-161.30000112.1V221V221-S225 WeakPolarHBondContact O-CA 3.43Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-OG 2.89Å
226R96.6Very high96.8Very high95 Ų9555.7 Ų55.736%0.35830%0.298SS..SBendtrans-157.2172.3178.956.7164.8173.7762.4110V221 P224 E232V221-R226 WeakPolarHBondContact CG2-O 3.47Å; P224-R226 HydrophobicContact CB-CG 4.23Å; P224-R226 PolarHBondContact O-N 2.99Å; R226-E232 IonicContact CZ-OE1 2.78Å; R226-E232 IonicContact CZ-OE2 3.87Å; R226-E232 IonicContact NH1-OE1 3.15Å; R226-E232 IonicContact NH1-OE2 2.89Å; R226-E232 PolarHBondContact NH1-OE2 3.26Å; R226-E232 VanDerWaalsContact NH2-CD 3.27Å; R226-E232 IonicContact NH2-OE1 2.65Å; R226-E232 PolarHBondContact NH2-OE1 2.65Å; R226-E232 IonicContact NH2-OE2 2.76Å; R226-E232 PolarHBondContact NH2-OE2 2.75Å
227L96.8Very high97.1Very high29 Ų2949.8 Ų49.815%0.15227%0.272CS..PPolyproline II helixtrans-64.8143.3160.7-57.7179.5000109.5L200 L206 L217 A218L200-L227 HydrophobicContact CB-CD2 3.75Å; L206-L227 HydrophobicContact CD1-CD2 4.38Å; L217-L227 HydrophobicContact CB-CD2 4.25Å; A218-L227 HydrophobicContact CB-CG 4.43Å
228G97.6Very high97.5Very high10 Ų1048.9 Ų48.910%0.10327%0.267CS..BIsolated β-bridgetrans-58.8138.3169.900000110.8L200 F201 G202L200-G228 PolarHBondContact O-N 3.32Å; F201-G228 CarbonylContact C-O 3.47Å; F201-G228 WeakPolarHBondContact CA-O 3.4Å; F201-G228 VanDerWaalsContact CD1-C 3.43Å; F201-G228 WeakPolarHBondContact CD1-O 3.25Å; G202-G228 PolarHBondContact N-O 2.96Å
229D97.4Very high97.8Very high85 Ų8549.7 Ų49.746%0.45527%0.274SS..PPolyproline II helixtrans-82127.2171.2-174.2-36.2000107.8F201 A231 E232F201-D229 VanDerWaalsContact CE1-O 3.3Å; F201-D229 WeakPolarHBondContact CE1-O 3.4Å; D229-A231 PolarHBondContact O-N 2.84Å; D229-A231 VanDerWaalsContact OD1-CB 3.32Å; D229-A231 WeakPolarHBondContact OD1-CB 3.46Å; D229-A231 PolarHBondContact OD1-N 3.31Å; D229-E232 HydrophobicContact CB-CG 4.16Å; D229-E232 PolarHBondContact N-OE2 3.4Å; D229-E232 VanDerWaalsContact O-CB 3.3Å; D229-E232 WeakPolarHBondContact O-CB 3.27Å; D229-E232 PolarHBondContact O-N 3Å
230P98.1Very high98Very high16 Ų1646.3 Ų46.310%0.10425%0.251CS..Hα-helixtrans-48.6-26.7174.7-30.337.7000114.9L22 V25 E232 Y233 A234L22-P230 HydrophobicContact CD2-CB 4.02Å; L22-P230 HydrophobicContact CD2-CG 4.33Å; V25-P230 HydrophobicContact CB-CB 3.78Å; V25-P230 HydrophobicContact CG1-CB 3.98Å; V25-P230 HydrophobicContact CG2-CB 3.72Å; P230-E232 VanDerWaalsContact C-N 3.26Å; P230-E232 PolarHBondContact O-N 3.48Å; P230-Y233 WeakPolarHBondContact O-CB 3.5Å; P230-Y233 PolarHBondContact O-N 3.47Å; P230-A234 PolarHBondContact O-N 3.47Å
231A98.4Very high98.1Very high42 Ų4242.7 Ų42.735%0.34723%0.234SC..Hα-helixtrans-64.2-28.2174.500000113.3V25 D229 H235V25-A231 HydrophobicContact CG1-CB 4.17Å; D229-A231 PolarHBondContact O-N 2.84Å; D229-A231 VanDerWaalsContact OD1-CB 3.32Å; D229-A231 WeakPolarHBondContact OD1-CB 3.46Å; D229-A231 PolarHBondContact OD1-N 3.31Å; A231-H235 WeakPolarHBondContact O-CB 3.35Å; A231-H235 PolarHBondContact O-N 2.8Å
232E98.8Very high98.1Very high67 Ų6744.9 Ų44.931%0.31324%0.243SC..Hα-helixtrans-71-38.6174.5-61174117.700111.3F201 R226 D229 P230 H235 L236F201-E232 HydrophobicContact CE1-CB 4.47Å; R226-E232 IonicContact CZ-OE1 2.78Å; R226-E232 IonicContact CZ-OE2 3.87Å; R226-E232 IonicContact NH1-OE1 3.15Å; R226-E232 IonicContact NH1-OE2 2.89Å; R226-E232 PolarHBondContact NH1-OE2 3.26Å; R226-E232 VanDerWaalsContact NH2-CD 3.27Å; R226-E232 IonicContact NH2-OE1 2.65Å; R226-E232 PolarHBondContact NH2-OE1 2.65Å; R226-E232 IonicContact NH2-OE2 2.76Å; R226-E232 PolarHBondContact NH2-OE2 2.75Å; D229-E232 HydrophobicContact CB-CG 4.16Å; D229-E232 PolarHBondContact N-OE2 3.4Å; D229-E232 VanDerWaalsContact O-CB 3.3Å; D229-E232 WeakPolarHBondContact O-CB 3.27Å; D229-E232 PolarHBondContact O-N 3Å; P230-E232 VanDerWaalsContact C-N 3.26Å; P230-E232 PolarHBondContact O-N 3.48Å; E232-H235 PolarHBondContact O-N 3.08Å; E232-L236 PolarHBondContact O-N 2.7Å
233Y98.8Very high98.1Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-63.5-48.4171.8175.9-83.5000110.6L22 C91 T153 I196 P198 P230 H235 L236 V237L22-Y233 HydrophobicContact CB-CD1 3.87Å; L22-Y233 HydrophobicContact CB-CE1 4.07Å; L22-Y233 HydrophobicContact CB-CG 4.27Å; L22-Y233 HydrophobicContact CD1-CD2 3.98Å; L22-Y233 HydrophobicContact CD1-CE2 4.15Å; L22-Y233 HydrophobicContact CD1-CG 4.2Å; L22-Y233 HydrophobicContact CD2-CD1 4.37Å; L22-Y233 HydrophobicContact CD2-CD2 4.5Å; L22-Y233 HydrophobicContact CD2-CG 4Å; L22-Y233 HydrophobicContact CG-CD1 4.47Å; L22-Y233 HydrophobicContact CG-CG 4.38Å; C91-Y233 PolarHBondContact SG-OH 3.42Å; T153-Y233 HydrophobicContact CG2-CE2 4.06Å; T153-Y233 PolarHBondContact OG1-OH 2.93Å; I196-Y233 HydrophobicContact CB-CE2 3.83Å; I196-Y233 HydrophobicContact CD1-CD2 4.27Å; I196-Y233 HydrophobicContact CD1-CE2 3.76Å; I196-Y233 HydrophobicContact CG1-CE2 4.41Å; I196-Y233 HydrophobicContact CG2-CD2 3.88Å; I196-Y233 HydrophobicContact CG2-CE2 3.65Å; P198-Y233 HydrophobicContact CG-CD2 3.87Å; P198-Y233 HydrophobicContact CG-CE2 3.82Å; P230-Y233 WeakPolarHBondContact O-CB 3.5Å; P230-Y233 PolarHBondContact O-N 3.47Å; Y233-H235 VanDerWaalsContact C-N 3.26Å; Y233-H235 PolarHBondContact O-N 2.68Å; Y233-L236 PolarHBondContact O-N 2.77Å; Y233-L236 VanDerWaalsContact O-N 3.1Å; Y233-V237 HydrophobicContact CD1-CG2 3.97Å; Y233-V237 HydrophobicContact CE1-CG2 3.43Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.43Å; Y233-V237 WeakPolarHBondContact O-CG2 3.32Å; Y233-V237 PolarHBondContact O-N 3.48Å
234A98.8Very high98.1Very high0 Ų039.2 Ų39.20%022%0.22CC..Hα-helixtrans-59-38.3176.900000112V25 R29 P230 V237 Q238V25-A234 HydrophobicContact CG1-CB 4.19Å; R29-A234 HydrophobicContact CB-CB 3.91Å; R29-A234 WeakPolarHBondContact CD-O 3.38Å; R29-A234 HydrophobicContact CG-CB 4.42Å; P230-A234 PolarHBondContact O-N 3.47Å; A234-V237 WeakPolarHBondContact O-CB 3.5Å; A234-V237 PolarHBondContact O-N 3.17Å; A234-Q238 PolarHBondContact O-N 3Å
235H98.8Very high98.1Very high105 Ų10546.3 Ų46.349%0.48625%0.247SC..Hα-helixtrans-62.4-45174-179.8-84.8000112.1R29 A231 E232 Y233 V237 Q238 A239R29-H235 PolarHBondContact NH2-CD2 3.25Å; R29-H235 VanDerWaalsContact NH2-CD2 3.29Å; A231-H235 WeakPolarHBondContact O-CB 3.35Å; A231-H235 PolarHBondContact O-N 2.8Å; E232-H235 PolarHBondContact O-N 3.08Å; Y233-H235 VanDerWaalsContact C-N 3.26Å; Y233-H235 PolarHBondContact O-N 2.68Å; H235-V237 VanDerWaalsContact C-N 3.32Å; H235-V237 PolarHBondContact O-N 3.26Å; H235-Q238 PolarHBondContact O-N 3.47Å; H235-A239 PolarHBondContact O-N 3.39Å
236L98.9Very high98.1Very high27 Ų2745.1 Ų45.114%0.14124%0.235CC..Hα-helixtrans-63.4-38.8175.8-179.359.2000111.9I196 E232 Y233 Q238 A239 I240 I251 L253I196-L236 HydrophobicContact CB-CD2 4.46Å; I196-L236 HydrophobicContact CD1-CB 4.27Å; 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 4.2Å; I196-L236 HydrophobicContact CG2-CD2 3.79Å; E232-L236 PolarHBondContact O-N 2.7Å; Y233-L236 PolarHBondContact O-N 2.77Å; Y233-L236 VanDerWaalsContact O-N 3.1Å; L236-Q238 PolarHBondContact O-N 2.92Å; L236-A239 PolarHBondContact O-N 3.22Å; L236-I240 HydrophobicContact CD1-CD1 4.36Å; L236-I240 HydrophobicContact CD1-CG1 4.39Å; L236-I240 HydrophobicContact CG-CD1 4.12Å; L236-I240 WeakPolarHBondContact O-CG1 3.42Å; L236-I240 PolarHBondContact O-N 2.84Å; L236-I251 HydrophobicContact CD1-CD1 4.2Å; L236-I251 HydrophobicContact CD1-CG2 4.42Å; L236-I251 HydrophobicContact CD2-CB 4.33Å; L236-I251 HydrophobicContact CD2-CG2 3.87Å; L236-L253 HydrophobicContact CB-CD2 4.24Å; L236-L253 HydrophobicContact CD2-CB 3.97Å; L236-L253 HydrophobicContact CD2-CD1 4.37Å; L236-L253 HydrophobicContact CD2-CD2 3.94Å; L236-L253 HydrophobicContact CD2-CG 4.31Å
237V98.9Very high98.3Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-56.3-50.6172.1168.20000110.8T26 V89 I151 I196 Y233 A234 H235 A239 I240 I241T26-V237 HydrophobicContact CG2-CB 4.13Å; T26-V237 HydrophobicContact CG2-CG1 3.66Å; T26-V237 HydrophobicContact CG2-CG2 4.25Å; V89-V237 HydrophobicContact CG1-CG2 4.24Å; V89-V237 HydrophobicContact CG2-CG1 3.93Å; I151-V237 HydrophobicContact CD1-CG1 3.85Å; I151-V237 HydrophobicContact CG2-CG2 4.36Å; I196-V237 HydrophobicContact CD1-CG2 3.69Å; Y233-V237 HydrophobicContact CD1-CG2 3.97Å; Y233-V237 HydrophobicContact CE1-CG2 3.43Å; Y233-V237 VanDerWaalsContact CE1-CG2 3.43Å; Y233-V237 WeakPolarHBondContact O-CG2 3.32Å; Y233-V237 PolarHBondContact O-N 3.48Å; A234-V237 WeakPolarHBondContact O-CB 3.5Å; A234-V237 PolarHBondContact O-N 3.17Å; H235-V237 VanDerWaalsContact C-N 3.32Å; H235-V237 PolarHBondContact O-N 3.26Å; V237-A239 PolarHBondContact O-N 2.76Å; V237-I240 PolarHBondContact O-N 3.44Å; V237-I241 HydrophobicContact CG1-CD1 3.89Å; V237-I241 WeakPolarHBondContact O-CG1 3.34Å; V237-I241 PolarHBondContact O-N 3.02Å; V237-I241 VanDerWaalsContact O-N 3.07Å
238Q98.8Very high98.3Very high11 Ų1143.1 Ų43.15%0.05123%0.234CC..Hα-helixtrans-58.2-48.3176.3177.5172.7-1.200111.5V8 L30 A234 H235 L236 I240 I241 E242V8-Q238 HydrophobicContact CG1-CG 3.91Å; L30-Q238 HydrophobicContact CD2-CB 4.42Å; A234-Q238 PolarHBondContact O-N 3Å; H235-Q238 PolarHBondContact O-N 3.47Å; L236-Q238 PolarHBondContact O-N 2.92Å; Q238-I240 PolarHBondContact O-N 2.84Å; Q238-I241 WeakPolarHBondContact O-CA 3.2Å; Q238-I241 WeakPolarHBondContact O-CB 3.33Å; Q238-I241 PolarHBondContact O-N 2.97Å; Q238-E242 HydrophobicContact CG-CG 4.06Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.15Å; Q238-E242 PolarHBondContact NE2-OE1 2.81Å; Q238-E242 WeakPolarHBondContact O-CG 3.38Å; Q238-E242 PolarHBondContact O-N 3.27Å
239A98.7Very high98.4Very high35 Ų3547.8 Ų47.829%0.28925%0.254SS..Hα-helixtrans-57-37.2179.200000112.7H235 L236 V237 E242 N243H235-A239 PolarHBondContact O-N 3.39Å; L236-A239 PolarHBondContact O-N 3.22Å; V237-A239 PolarHBondContact O-N 2.76Å; A239-E242 PolarHBondContact O-N 3.11Å; A239-N243 VanDerWaalsContact O-CB 3.31Å; A239-N243 WeakPolarHBondContact O-CB 3.35Å; A239-N243 PolarHBondContact O-N 3.02Å
240I98.8Very high98.5Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-67.6-38.4174.3-69164.8000112V149 I151 R192 M194 I196 L236 V237 Q238 E242 L246 I251V149-I240 HydrophobicContact CG2-CG2 4.29Å; I151-I240 HydrophobicContact CD1-CB 3.91Å; I151-I240 HydrophobicContact CD1-CG2 3.63Å; I151-I240 HydrophobicContact CG1-CG2 3.79Å; I151-I240 HydrophobicContact CG2-CD1 4.34Å; R192-I240 PolarHBondContact NH1-O 2.96Å; R192-I240 PolarHBondContact NH2-O 3.16Å; M194-I240 HydrophobicContact CB-CD1 4.37Å; M194-I240 HydrophobicContact CB-CG2 3.75Å; M194-I240 HydrophobicContact CE-CD1 4.46Å; M194-I240 HydrophobicContact CE-CG1 4.48Å; M194-I240 HydrophobicContact CG-CG2 3.65Å; I196-I240 HydrophobicContact CD1-CD1 3.81Å; I196-I240 HydrophobicContact CG1-CD1 3.7Å; L236-I240 HydrophobicContact CD1-CD1 4.36Å; L236-I240 HydrophobicContact CD1-CG1 4.39Å; L236-I240 HydrophobicContact CG-CD1 4.12Å; L236-I240 WeakPolarHBondContact O-CG1 3.42Å; L236-I240 PolarHBondContact O-N 2.84Å; V237-I240 PolarHBondContact O-N 3.44Å; Q238-I240 PolarHBondContact O-N 2.84Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-L246 HydrophobicContact CG1-CD1 4.02Å; I240-I251 HydrophobicContact CD1-CD1 4.34Å; I240-I251 HydrophobicContact CG1-CD1 4.38Å
241I98.6Very high98.5Very high1 Ų146.2 Ų46.21%0.00525%0.245CC..Hα-helixtrans-65.3-40177.8-64.7163.1000110.7R6 V8 L11 L30 V87 V149 I151 R192 V237 Q238R6-I241 PolarHBondContact NE-O 3.28Å; R6-I241 VanDerWaalsContact NE-O 3.11Å; V8-I241 HydrophobicContact CG1-CB 4.19Å; V8-I241 HydrophobicContact CG1-CD1 4.47Å; V8-I241 HydrophobicContact CG1-CG2 3.78Å; L11-I241 HydrophobicContact CD1-CG2 3.62Å; L30-I241 HydrophobicContact CD1-CD1 4.1Å; L30-I241 HydrophobicContact CD2-CD1 3.84Å; V87-I241 HydrophobicContact CG1-CD1 3.81Å; V87-I241 HydrophobicContact CG1-CG1 4.06Å; V87-I241 HydrophobicContact CG2-CD1 4.08Å; V87-I241 HydrophobicContact CG2-CG1 4.14Å; V87-I241 HydrophobicContact CG2-CG2 4.09Å; V149-I241 HydrophobicContact CG1-CG1 4.09Å; V149-I241 HydrophobicContact CG1-CG2 4.4Å; I151-I241 HydrophobicContact CD1-CD1 4.45Å; I151-I241 HydrophobicContact CD1-CG1 3.83Å; R192-I241 PolarHBondContact NH2-O 3.41Å; V237-I241 HydrophobicContact CG1-CD1 3.89Å; V237-I241 WeakPolarHBondContact O-CG1 3.34Å; V237-I241 PolarHBondContact O-N 3.02Å; V237-I241 VanDerWaalsContact O-N 3.07Å; Q238-I241 WeakPolarHBondContact O-CA 3.2Å; Q238-I241 WeakPolarHBondContact O-CB 3.33Å; Q238-I241 PolarHBondContact O-N 2.97Å
242E98Very high98.5Very high52 Ų5247 Ų4724%0.24324%0.239CC..Hα-helixtrans-81.6-34.2-173.5-62.3-176.8157.900113.2C5 R6 V8 Q238 A239 I240 P244C5-E242 VanDerWaalsContact CA-O 3.31Å; C5-E242 WeakPolarHBondContact CA-O 3.5Å; C5-E242 WeakPolarHBondContact CB-O 3.26Å; R6-E242 PolarHBondContact N-O 3.23Å; R6-E242 WeakPolarHBondContact O-CB 3.21Å; R6-E242 WeakPolarHBondContact O-CG 3.49Å; V8-E242 HydrophobicContact CG1-CG 3.98Å; Q238-E242 HydrophobicContact CG-CG 4.06Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.15Å; Q238-E242 PolarHBondContact NE2-OE1 2.81Å; Q238-E242 WeakPolarHBondContact O-CG 3.38Å; Q238-E242 PolarHBondContact O-N 3.27Å; A239-E242 PolarHBondContact O-N 3.11Å; I240-E242 VanDerWaalsContact C-N 3.33Å; E242-P244 WeakPolarHBondContact O-CD 3.42Å
243N97.6Very high98.5Very high63 Ų6346 Ų4634%0.33724%0.235SC..  trans-87.4109.4179.1-172.5-30.1000111R192 A239 F245 L246R192-N243 PolarHBondContact NH1-O 3.21Å; R192-N243 PolarHBondContact NH2-O 3.39Å; A239-N243 VanDerWaalsContact O-CB 3.31Å; A239-N243 WeakPolarHBondContact O-CB 3.35Å; A239-N243 PolarHBondContact O-N 3.02Å; N243-F245 PolarHBondContact O-N 2.85Å; N243-F245 PolarHBondContact OD1-N 3.43Å; N243-L246 HydrophobicContact CB-CD1 4.08Å; N243-L246 HydrophobicContact CB-CG 4.32Å
244P96.6Very high98.5Very high66 Ų6647 Ų4743%0.42924%0.24SC..THydrogen-bonded Turntrans-73.5-12.6-174.632.4-37.8000113.6A4 R192 E242A4-P244 WeakPolarHBondContact O-CD 3.31Å; A4-P244 VanDerWaalsContact O-CG 3.27Å; A4-P244 WeakPolarHBondContact O-CG 3.46Å; R192-P244 WeakPolarHBondContact CD-O 3.49Å; E242-P244 WeakPolarHBondContact O-CD 3.42Å
245F97.4Very high98.5Very high194 Ų19448 Ų4885%0.85125%0.25SS*.THydrogen-bonded Turntrans-90.4-11.6-175.1-149.2-110.7000113.6N243 N247N243-F245 PolarHBondContact O-N 2.85Å; N243-F245 PolarHBondContact OD1-N 3.43Å; F245-N247 PolarHBondContact O-N 3.48Å
246L98.7Very high98.5Very high50 Ų5045.9 Ų45.926%0.26225%0.252SS..  trans-77.4107.7174.5-70.2175.8000110.4R192 M194 I240 N243 I251R192-L246 WeakPolarHBondContact CD-O 3.26Å; R192-L246 PolarHBondContact NH1-O 2.77Å; M194-L246 HydrophobicContact CE-CB 4.05Å; M194-L246 HydrophobicContact CE-CD2 4.37Å; M194-L246 HydrophobicContact CG-CB 4.31Å; M194-L246 VanDerWaalsContact SD-C 3.5Å; M194-L246 HydrophobicContact SD-CB 3.98Å; I240-L246 HydrophobicContact CG1-CD1 4.02Å; N243-L246 HydrophobicContact CB-CD1 4.08Å; N243-L246 HydrophobicContact CB-CG 4.32Å; L246-I251 HydrophobicContact CD1-CD1 4.47Å
247N98.9Very high98.5Very high67 Ų6744.8 Ų44.836%0.35825%0.246SC..  trans-150.6141.6176.6-165.421.5000111.5R192 V193 M194 F245 E249R192-N247 VanDerWaalsContact CA-OD1 3.31Å; R192-N247 WeakPolarHBondContact CA-OD1 3.43Å; R192-N247 HydrophobicContact CB-CB 4.4Å; R192-N247 HydrophobicContact CG-CB 4.2Å; V193-N247 PolarHBondContact N-OD1 2.82Å; V193-N247 PolarHBondContact O-OD1 2.95Å; M194-N247 PolarHBondContact SD-N 3.41Å; M194-N247 VanDerWaalsContact SD-N 3.44Å; F245-N247 PolarHBondContact O-N 3.48Å; N247-E249 VanDerWaalsContact C-N 3.33Å; N247-E249 PolarHBondContact O-N 3.43Å
248G98.8Very high98.4Very high14 Ų1450.9 Ų50.914%0.14427%0.269CS..SBendtrans72.916.6173.200000115.8V193V193-G248 WeakPolarHBondContact O-CA 3.29Å; V193-G248 PolarHBondContact O-N 3.08Å
249E98.9Very high98.2Very high109 Ų10951.6 Ų51.651%0.50927%0.273SS..  trans-120.3156.8-170.6-177.852.6-11900113M194 T195 N247M194-E249 HydrophobicContact CE-CB 3.91Å; M194-E249 HydrophobicContact SD-CB 3.92Å; T195-E249 PolarHBondContact N-O 3.45Å; N247-E249 VanDerWaalsContact C-N 3.33Å; N247-E249 PolarHBondContact O-N 3.43Å
250V98.9Very high97.9Very high24 Ų2455.6 Ų55.615%0.14529%0.285CS..EExtended strand (participates in β ladder)trans-113.4111.8174.6-175.40000110.9F159 V176 T195 A197F159-V250 HydrophobicContact CE2-CG1 4.37Å; F159-V250 HydrophobicContact CZ-CG1 3.86Å; V176-V250 HydrophobicContact CB-CG2 4.37Å; V176-V250 HydrophobicContact CG1-CG2 4.09Å; V176-V250 HydrophobicContact CG2-CG1 4.16Å; V176-V250 HydrophobicContact CG2-CG2 4.13Å; T195-V250 HydrophobicContact CG2-CG1 3.99Å; T195-V250 HydrophobicContact CG2-CG2 4.18Å; T195-V250 CarbonylContact O-C 3.59Å; T195-V250 VanDerWaalsContact O-CA 3.27Å; T195-V250 WeakPolarHBondContact O-CA 3.44Å; A197-V250 HydrophobicContact CB-CG1 3.84Å
251I98.9Very high97.4Very high44 Ų4461.8 Ų61.823%0.22633%0.325CS..EExtended strand (participates in β ladder)trans-94.3118.3179.2-57.2175.4000110.1M194 T195 I196 A197 L236 I240 L246M194-I251 HydrophobicContact CE-CD1 3.62Å; M194-I251 HydrophobicContact CE-CG1 3.88Å; T195-I251 PolarHBondContact O-N 3.38Å; I196-I251 CarbonylContact C-O 3.39Å; I196-I251 WeakPolarHBondContact CA-O 3.5Å; A197-I251 PolarHBondContact N-O 3.3Å; L236-I251 HydrophobicContact CD1-CD1 4.2Å; L236-I251 HydrophobicContact CD1-CG2 4.42Å; L236-I251 HydrophobicContact CD2-CB 4.33Å; L236-I251 HydrophobicContact CD2-CG2 3.87Å; I240-I251 HydrophobicContact CD1-CD1 4.34Å; I240-I251 HydrophobicContact CG1-CD1 4.38Å; L246-I251 HydrophobicContact CD1-CD1 4.47Å
252R98.9Very high97.4Very high59 Ų5964.8 Ų64.822%0.22334%0.341CS..EExtended strand (participates in β ladder)trans-71.7129.9167.1-65.1-178.369.7113.1-0.9109.9V156 F159 E160 A197 D254 I257V156-R252 VanDerWaalsContact CG1-NH2 3.28Å; F159-R252 HydrophobicContact CE2-CG 4.15Å; E160-R252 IonicContact OE1-CZ 2.76Å; E160-R252 IonicContact OE1-NH1 2.74Å; E160-R252 PolarHBondContact OE1-NH1 2.9Å; E160-R252 IonicContact OE1-NH2 3.48Å; E160-R252 IonicContact OE2-CZ 2.76Å; E160-R252 VanDerWaalsContact OE2-CZ 3.22Å; E160-R252 IonicContact OE2-NH1 3.59Å; E160-R252 PolarHBondContact OE2-NH1 3.38Å; E160-R252 IonicContact OE2-NH2 3.31Å; E160-R252 PolarHBondContact OE2-NH2 3.29Å; A197-R252 HydrophobicContact CB-CG 4.42Å; A197-R252 WeakPolarHBondContact O-CA 3.49Å; R252-D254 IonicContact CZ-OD2 2.81Å; R252-D254 IonicContact NE-OD2 3.66Å; R252-D254 PolarHBondContact NE-OD2 3.22Å; R252-D254 IonicContact NH2-OD2 3.65Å; R252-D254 PolarHBondContact NH2-OD2 3.16Å; R252-I257 PolarHBondContact NH2-O 2.89Å; R252-I257 VanDerWaalsContact NH2-O 3.17Å
253L98.8Very high97.4Very high45 Ų4565.5 Ų65.524%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-126.588.7173.3-177.567.5000107.8I196 A197 P198 G199 F201 L236I196-L253 HydrophobicContact CG2-CB 4.17Å; A197-L253 PolarHBondContact O-N 3.12Å; A197-L253 VanDerWaalsContact O-N 3.08Å; P198-L253 WeakPolarHBondContact CA-O 3.49Å; G199-L253 PolarHBondContact N-O 3.38Å; F201-L253 HydrophobicContact CE1-CD2 4.34Å; F201-L253 HydrophobicContact CE2-CG 4.46Å; F201-L253 WeakPolarHBondContact CE2-O 3.34Å; F201-L253 HydrophobicContact CZ-CD2 3.62Å; F201-L253 HydrophobicContact CZ-CG 3.84Å; L236-L253 HydrophobicContact CB-CD2 4.24Å; L236-L253 HydrophobicContact CD2-CB 3.97Å; L236-L253 HydrophobicContact CD2-CD1 4.37Å; L236-L253 HydrophobicContact CD2-CD2 3.94Å; L236-L253 HydrophobicContact CD2-CG 4.31Å
254D98.5Very high97.3Very high20 Ų2065.6 Ų65.611%0.10735%0.347CS..SBendtrans-149.97.5-158.773.1-3.6000116V156 R252 A256 I257 R258V156-D254 HydrophobicContact CG1-CB 3.63Å; V156-D254 WeakPolarHBondContact CG1-OD2 3.3Å; R252-D254 IonicContact CZ-OD2 2.81Å; R252-D254 IonicContact NE-OD2 3.66Å; R252-D254 PolarHBondContact NE-OD2 3.22Å; R252-D254 IonicContact NH2-OD2 3.65Å; R252-D254 PolarHBondContact NH2-OD2 3.16Å; D254-A256 PolarHBondContact O-N 3.13Å; D254-A256 WeakPolarHBondContact OD1-CA 3.29Å; D254-A256 PolarHBondContact OD1-N 3.29Å; D254-I257 HydrophobicContact CB-CG2 3.78Å; D254-I257 WeakPolarHBondContact O-CG2 3.28Å; D254-I257 PolarHBondContact O-N 3.21Å; D254-I257 VanDerWaalsContact O-N 3.17Å; D254-R258 IonicContact OD2-NH1 3.34Å; D254-R258 PolarHBondContact OD2-NH1 2.8Å
255G98.4Very high97.4Very high21 Ų2165.6 Ų65.622%0.21634%0.342CS..THydrogen-bonded Turntrans59.828.1-178.300000113.7P222 F223 I257P222-G255 VanDerWaalsContact CD-O 3.26Å; P222-G255 WeakPolarHBondContact CD-O 3.35Å; F223-G255 PolarHBondContact N-O 2.88Å; F223-G255 CarbonylContact O-C 3.53Å; F223-G255 VanDerWaalsContact O-CA 3.27Å; F223-G255 WeakPolarHBondContact O-CA 3.25Å; F223-G255 VanDerWaalsContact O-O 3.13Å; G255-I257 VanDerWaalsContact C-N 3.29Å; G255-I257 PolarHBondContact O-N 3.34Å
256A98.4Very high97.4Very high62 Ų6257.6 Ų57.651%0.51231%0.31SS..THydrogen-bonded Turntrans67.615-176.700000115.7P222 D254P222-A256 HydrophobicContact CB-CB 4.45Å; P222-A256 HydrophobicContact CG-CB 4.37Å; D254-A256 PolarHBondContact O-N 3.13Å; D254-A256 WeakPolarHBondContact OD1-CA 3.29Å; D254-A256 PolarHBondContact OD1-N 3.29Å
257I98Very high97.3Very high3 Ų358.1 Ų58.12%0.01531%0.313CS..  trans-62.6144.3177.7-165.6168.1000112.1L200 Q220 V221 R252 D254 G255 M259L200-I257 HydrophobicContact CD1-CD1 3.8Å; L200-I257 HydrophobicContact CG-CD1 4.36Å; Q220-I257 HydrophobicContact CB-CD1 3.79Å; Q220-I257 WeakPolarHBondContact O-CG1 3.24Å; V221-I257 HydrophobicContact CG2-CD1 3.97Å; R252-I257 PolarHBondContact NH2-O 2.89Å; R252-I257 VanDerWaalsContact NH2-O 3.17Å; D254-I257 HydrophobicContact CB-CG2 3.78Å; D254-I257 WeakPolarHBondContact O-CG2 3.28Å; D254-I257 PolarHBondContact O-N 3.21Å; D254-I257 VanDerWaalsContact O-N 3.17Å; G255-I257 VanDerWaalsContact C-N 3.29Å; G255-I257 PolarHBondContact O-N 3.34Å; I257-M259 HydrophobicContact CD1-SD 3.62Å; I257-M259 HydrophobicContact CG1-SD 4.02Å; I257-M259 HydrophobicContact CG2-SD 4.39Å
258R97.9Very high97.2Very high129 Ų12957.4 Ų57.449%0.48731%0.31SS..  trans-126.8115.5164-65.2-64179.7-83.8-0.6108.2E160 D254 Q260E160-R258 IonicContact OE1-NE 3.16Å; D254-R258 IonicContact OD2-NH1 3.34Å; D254-R258 PolarHBondContact OD2-NH1 2.8Å; R258-Q260 PolarHBondContact O-N 3.18Å; R258-Q260 PolarHBondContact O-NE2 2.91Å
259M94.4Very high97.1Very high26 Ų2660.8 Ų60.813%0.12832%0.323CS..  trans-67.9127.7-170.3-57.1-61.1-64.900110.6V156 E160 Q162 L200 I257V156-M259 HydrophobicContact CG2-CG 3.89Å; V156-M259 HydrophobicContact CG2-SD 4.25Å; E160-M259 HydrophobicContact CB-CB 4.04Å; E160-M259 WeakPolarHBondContact O-CB 3.43Å; Q162-M259 HydrophobicContact CG-CB 3.85Å; Q162-M259 HydrophobicContact CG-CE 4.01Å; L200-M259 HydrophobicContact CD2-CE 4.22Å; I257-M259 HydrophobicContact CD1-SD 3.62Å; I257-M259 HydrophobicContact CG1-SD 4.02Å; I257-M259 HydrophobicContact CG2-SD 4.39Å
260Q92.8Very high96.9Very high119 Ų11956.8 Ų56.856%0.55631%0.307SS*.  trans-82.7157.6174.3-59.7-58.4-57.800110.6Q162 R258Q162-Q260 WeakPolarHBondContact CG-O 3.49Å; Q162-Q260 PolarHBondContact NE2-O 3.07Å; R258-Q260 PolarHBondContact O-N 3.18Å; R258-Q260 PolarHBondContact O-NE2 2.91Å
261P88.9Confident96.7Very high129 Ų12959.7 Ų59.784%0.83832%0.322SS*.  trans-51.60179.8-28.636.5000115.5V163V163-P261 WeakPolarHBondContact CB-OXT 3.37Å; V163-P261 HydrophobicContact CG2-CB 4.3Å; V163-P261 WeakPolarHBondContact CG2-OXT 3.43Å; V163-P261 PolarHBondContact N-OXT 2.61Å

Retrieved 261 of 261 residues in 240.8 ms (Link to these results)

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