A0A077ZIK5_TRITR Loading...

Sepiapterin reductase

AlphaFold DB , UniProt , Accession A0A077ZIK5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M82.9Confident95.3Very high206 Ų20636.7 Ų36.7100%1.01521%0.209SC*.  0145.20-75.1-173-110.700108.9N250M1-N250 PolarHBondContact O-ND2 2.93Å
2T93.2Very high95.6Very high57 Ų5733.7 Ų33.735%0.3519%0.191SC..  trans-55.9149177.3174.80000112L4 K6 K248T2-L4 PolarHBondContact OG1-N 2.99Å; T2-K6 WeakPolarHBondContact O-CE 3.4Å; T2-K6 PolarHBondContact O-NZ 3.42Å; T2-K248 WeakPolarHBondContact CA-O 3.45Å; T2-K248 WeakPolarHBondContact CB-O 3.07Å; T2-K248 PolarHBondContact OG1-O 3.07Å
3L95.7Very high95.8Very high3 Ų331.2 Ų31.22%0.01618%0.177CC..SBendtrans-85.3-16.1169.8-64.6172.1000112.7L96 V153 L247 N250 F252L3-L96 HydrophobicContact CB-CD2 4.22Å; L3-L96 HydrophobicContact CD2-CD1 4.41Å; L3-L96 WeakPolarHBondContact O-CD2 3.49Å; L3-V153 HydrophobicContact CD1-CG1 4.31Å; L3-V153 HydrophobicContact CD1-CG2 3.79Å; L3-V153 HydrophobicContact CD2-CG2 3.8Å; L3-V153 HydrophobicContact CG-CG2 4.44Å; L3-L247 HydrophobicContact CB-CB 4.43Å; L3-L247 WeakPolarHBondContact CB-O 3.45Å; L3-L247 HydrophobicContact CD1-CB 4.47Å; L3-L247 HydrophobicContact CD1-CD2 3.87Å; L3-L247 PolarHBondContact N-O 3.06Å; L3-N250 HydrophobicContact CD1-CB 4.49Å; L3-N250 WeakPolarHBondContact CD1-OD1 3.47Å; L3-N250 HydrophobicContact CG-CB 4.15Å; L3-F252 HydrophobicContact CD1-CE1 4.45Å
4L96.8Very high96Very high19 Ų1930.2 Ų30.210%0.09918%0.177CC..THydrogen-bonded Turntrans-82.2158.2-178.7-54179.4000112.2T2 K6 L27 H30 V244 L247 K248T2-L4 PolarHBondContact OG1-N 2.99Å; L4-K6 PolarHBondContact O-N 3.37Å; L4-L27 HydrophobicContact CD2-CD1 4Å; L4-H30 HydrophobicContact CB-CB 4.42Å; L4-H30 HydrophobicContact CD1-CB 4.06Å; L4-H30 HydrophobicContact CD2-CB 4.05Å; L4-H30 HydrophobicContact CG-CB 4.4Å; L4-V244 HydrophobicContact CD1-CG1 3.64Å; L4-L247 HydrophobicContact CD2-CB 4.02Å; L4-L247 HydrophobicContact CD2-CD1 4.41Å; L4-L247 HydrophobicContact CG-CB 4.43Å; L4-K248 HydrophobicContact CD1-CB 3.61Å; L4-K248 HydrophobicContact CD1-CG 4.07Å; L4-K248 HydrophobicContact CG-CB 4.38Å
5G96Very high96.2Very high50 Ų5028.2 Ų28.252%0.51517%0.166SC..THydrogen-bonded Turntrans78.9-0.6179.700000115.1H30 G32G5-H30 PolarHBondContact N-O 3.42Å; G5-G32 VanDerWaalsContact C-CA 3.46Å; G5-G32 WeakPolarHBondContact O-CA 3.41Å
6K95.8Very high96.3Very high32 Ų3227.6 Ų27.614%0.13916%0.163CC..SBendtrans-86.5150.3178.6-63.6-176.4-172.4179.10111.4T2 L4 T8 G32 S35 D95 L96 E151T2-K6 WeakPolarHBondContact O-CE 3.4Å; T2-K6 PolarHBondContact O-NZ 3.42Å; L4-K6 PolarHBondContact O-N 3.37Å; K6-T8 PolarHBondContact O-N 3Å; K6-T8 PolarHBondContact O-OG1 2.85Å; K6-G32 WeakPolarHBondContact O-CA 3.41Å; K6-G32 PolarHBondContact O-N 3.14Å; K6-S35 PolarHBondContact O-OG 3.03Å; K6-D95 HydrophobicContact CB-CB 4.02Å; K6-L96 HydrophobicContact CB-CB 4.31Å; K6-L96 HydrophobicContact CD-CB 4.47Å; K6-E151 IonicContact NZ-OE1 2.99Å; K6-E151 PolarHBondContact NZ-OE1 2.95Å; K6-E151 IonicContact NZ-OE2 3.28Å; K6-E151 PolarHBondContact NZ-OE2 3.22Å
7K95.9Very high96.4Very high37 Ų3733.8 Ų33.816%0.16118%0.183CC..  trans-65.4108.1169.2-171-166173.4-157.20108.3K34 T91 R93 F94 D95 L96K7-K34 HydrophobicContact CD-CB 4.2Å; K7-K34 WeakPolarHBondContact CE-O 3.46Å; K7-K34 HydrophobicContact CG-CB 4.25Å; K7-K34 WeakPolarHBondContact CG-O 3.39Å; K7-T91 PolarHBondContact NZ-OG1 3.03Å; K7-T91 VanDerWaalsContact NZ-OG1 3.09Å; K7-R93 PolarHBondContact NZ-O 3.18Å; K7-F94 HydrophobicContact CD-CD1 4.17Å; K7-F94 HydrophobicContact CG-CD1 3.85Å; K7-F94 HydrophobicContact CG-CE1 4.27Å; K7-D95 WeakPolarHBondContact CB-OD2 3.22Å; K7-D95 PolarHBondContact N-OD2 3.25Å; K7-D95 PolarHBondContact O-N 2.9Å; K7-L96 PolarHBondContact O-N 3.19Å
8T97.1Very high96.5Very high0 Ų033.4 Ų33.40%019%0.189CC..EExtended strand (participates in β ladder)trans-118.4134.6-165.8-570000111.6K6 C10 L31 S35 H36 L96 L98K6-T8 PolarHBondContact O-N 3Å; K6-T8 PolarHBondContact O-OG1 2.85Å; T8-C10 HydrophobicContact CG2-CB 4.14Å; T8-L31 HydrophobicContact CG2-CD2 4.24Å; T8-S35 PolarHBondContact N-OG 3.34Å; T8-S35 CarbonylContact O-C 3.49Å; T8-S35 WeakPolarHBondContact O-CA 3.26Å; T8-S35 WeakPolarHBondContact O-CB 3.5Å; T8-H36 PolarHBondContact O-N 3.1Å; T8-L96 CarbonylContact C-O 3.42Å; T8-L96 VanDerWaalsContact CA-O 3.26Å; T8-L96 WeakPolarHBondContact CA-O 3.41Å; T8-L96 HydrophobicContact CG2-CB 4.1Å; T8-L96 HydrophobicContact CG2-CD2 3.88Å; T8-L96 HydrophobicContact CG2-CG 3.88Å; T8-L98 HydrophobicContact CG2-CB 3.99Å
9L97.7Very high96.6Very high0 Ų032.9 Ų32.90%019%0.185CC..EExtended strand (participates in β ladder)trans-92.8116157.417768.5000107.5H36 I38 I86 F94 L96 A97 L98 F140 C144 F148L9-H36 WeakPolarHBondContact CA-O 3.33Å; L9-H36 HydrophobicContact CD1-CB 4.08Å; L9-I38 HydrophobicContact CD1-CD1 4.04Å; L9-I38 HydrophobicContact CD1-CG1 4.43Å; L9-I86 HydrophobicContact CD1-CG1 4.39Å; L9-I86 HydrophobicContact CD2-CD1 3.85Å; L9-I86 HydrophobicContact CD2-CG1 3.79Å; L9-I86 HydrophobicContact CD2-CG2 4.29Å; L9-F94 HydrophobicContact CB-CB 4.47Å; L9-F94 HydrophobicContact CB-CD1 3.99Å; L9-F94 HydrophobicContact CB-CD2 3.85Å; L9-F94 HydrophobicContact CB-CE1 4.14Å; L9-F94 HydrophobicContact CB-CE2 4Å; L9-F94 HydrophobicContact CB-CG 3.83Å; L9-F94 HydrophobicContact CB-CZ 4.14Å; L9-F94 HydrophobicContact CD1-CZ 4.41Å; L9-F94 VanDerWaalsContact N-CD1 3.26Å; L9-L96 PolarHBondContact N-O 3.43Å; L9-A97 CarbonylContact O-C 3.56Å; L9-A97 WeakPolarHBondContact O-CA 3.48Å; L9-L98 PolarHBondContact O-N 3.39Å; L9-F140 HydrophobicContact CD2-CE2 4.41Å; L9-C144 VanDerWaalsContact CD2-SG 3.57Å; L9-F148 HydrophobicContact CB-CE1 4.21Å; L9-F148 HydrophobicContact CD2-CE1 3.46Å; L9-F148 VanDerWaalsContact CD2-CE1 3.46Å; L9-F148 HydrophobicContact CD2-CZ 3.7Å; L9-F148 HydrophobicContact CG-CE1 4.46Å
10C98.3Very high96.7Very high0 Ų031.3 Ų31.30%018%0.176CC..EExtended strand (participates in β ladder)trans-118130.2-178.4-174.20000110.8T8 H36 V37 I38 L98T8-C10 HydrophobicContact CG2-CB 4.14Å; C10-H36 PolarHBondContact N-O 3.3Å; C10-V37 HydrophobicContact CB-CG1 4.35Å; C10-V37 HydrophobicContact CB-CG2 4.15Å; C10-V37 CarbonylContact O-C 3.52Å; C10-V37 WeakPolarHBondContact O-CA 3.31Å; C10-I38 PolarHBondContact O-N 3.39Å; C10-L98 CarbonylContact C-O 3.53Å; C10-L98 VanDerWaalsContact CA-O 3.25Å; C10-L98 WeakPolarHBondContact CA-O 3.46Å; C10-L98 HydrophobicContact CB-CB 4.42Å
11V98.7Very high96.8Very high0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-114.2127.1170177.40000108.7I38 L82 L98 L99 I100 F136 F140V11-I38 HydrophobicContact CG2-CB 4.05Å; V11-I38 HydrophobicContact CG2-CD1 3.91Å; V11-I38 HydrophobicContact CG2-CG1 4.38Å; V11-L82 HydrophobicContact CG1-CD2 4.33Å; V11-L82 HydrophobicContact CG2-CD2 3.99Å; V11-L98 PolarHBondContact N-O 2.99Å; V11-L99 HydrophobicContact CB-CD1 3.92Å; V11-L99 HydrophobicContact CG1-CD1 3.97Å; V11-I100 PolarHBondContact O-N 3.45Å; V11-F136 HydrophobicContact CG1-CE1 3.93Å; V11-F136 HydrophobicContact CG1-CZ 4.07Å; V11-F140 HydrophobicContact CB-CD2 4.38Å; V11-F140 HydrophobicContact CB-CE2 4.15Å; V11-F140 HydrophobicContact CG2-CD2 3.8Å; V11-F140 HydrophobicContact CG2-CE2 3.47Å; V11-F140 VanDerWaalsContact CG2-CE2 3.47Å
12I98.9Very high97.6Very high0 Ų023.1 Ų23.10%013%0.134CC..EExtended strand (participates in β ladder)trans-121.6114.8178.9-51.3175.8000108.9A15 I23 S24 L27 V37 I38 L39 L40 I100I12-A15 HydrophobicContact CB-CB 4.28Å; I12-A15 HydrophobicContact CG2-CB 4.17Å; I12-A15 WeakPolarHBondContact O-CB 3.38Å; I12-I23 HydrophobicContact CD1-CG2 4.32Å; I12-S24 WeakPolarHBondContact CD1-OG 3.43Å; I12-L27 HydrophobicContact CD1-CD2 4.4Å; I12-V37 HydrophobicContact CD1-CG1 4.08Å; I12-V37 HydrophobicContact CG1-CG1 4.48Å; I12-I38 PolarHBondContact N-O 3.44Å; I12-L39 HydrophobicContact CD1-CD2 4.48Å; I12-L40 PolarHBondContact O-N 2.99Å; I12-I100 HydrophobicContact CD1-CD1 4.38Å; I12-I100 HydrophobicContact CG1-CB 4.27Å; I12-I100 HydrophobicContact CG1-CD1 4.13Å; I12-I100 HydrophobicContact CG2-CB 4.38Å; I12-I100 HydrophobicContact CG2-CG2 4.39Å
13T98.9Very high97.8Very high2 Ų220.4 Ų20.41%0.01212%0.117CC..EExtended strand (participates in β ladder)trans-86.7145.5176.5740000111.5A15 L40 L70 I100 Q101 N102 A103 F136T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 2.97Å; T13-L40 CarbonylContact C-O 3.52Å; T13-L40 HydrophobicContact CG2-CD1 4.24Å; T13-L40 HydrophobicContact CG2-CD2 4.35Å; T13-L70 HydrophobicContact CG2-CD1 4.17Å; T13-I100 PolarHBondContact N-O 3.3Å; T13-Q101 WeakPolarHBondContact OG1-CA 3.47Å; T13-N102 WeakPolarHBondContact O-CB 3.44Å; T13-N102 PolarHBondContact O-ND2 2.86Å; T13-N102 PolarHBondContact OG1-N 3.2Å; T13-A103 PolarHBondContact O-N 3.42Å; T13-A103 WeakPolarHBondContact OG1-CB 3.49Å; T13-A103 PolarHBondContact OG1-N 3.32Å; T13-F136 HydrophobicContact CG2-CD1 4.36Å; T13-F136 HydrophobicContact CG2-CE1 3.94Å; T13-F136 HydrophobicContact CG2-CZ 4.44Å
14G98.6Very high98Very high17 Ų1720.2 Ų20.218%0.17512%0.116CC..THydrogen-bonded Turntrans66.231.6-173.800000112.6S16 L40 N102G14-S16 PolarHBondContact O-N 2.87Å; G14-L40 PolarHBondContact N-O 3.48Å; G14-N102 PolarHBondContact O-ND2 2.94Å
15A98.7Very high98Very high0 Ų020.1 Ų20.10%012%0.116CC..THydrogen-bonded Turntrans-71.9-10-174.800000114.4I12 T13 K21 L39 L40 L47I12-A15 HydrophobicContact CB-CB 4.28Å; I12-A15 HydrophobicContact CG2-CB 4.17Å; I12-A15 WeakPolarHBondContact O-CB 3.38Å; T13-A15 VanDerWaalsContact C-N 3.27Å; T13-A15 PolarHBondContact O-N 2.97Å; A15-K21 VanDerWaalsContact O-CA 3.28Å; A15-K21 WeakPolarHBondContact O-CA 3.23Å; A15-K21 PolarHBondContact O-N 3.33Å; A15-L39 HydrophobicContact CB-CB 3.83Å; A15-L39 HydrophobicContact CB-CD2 3.98Å; A15-L39 HydrophobicContact CB-CG 4.45Å; A15-L40 PolarHBondContact N-O 3.47Å; A15-L40 VanDerWaalsContact N-O 3.09Å; A15-L47 HydrophobicContact CB-CD2 4.06Å
16S98.5Very high98.1Very high18 Ų1821.1 Ų21.113%0.12611%0.106CC..THydrogen-bonded Turntrans-75.5-23.6-173.658.20000114.7G14 A41G14-S16 PolarHBondContact O-N 2.87Å; S16-A41 WeakPolarHBondContact OG-CB 3.23Å
17R97.9Very high98.2Very high133 Ų13319.6 Ų19.650%0.50210%0.099SC..SBendtrans-149.5168.1-174.1-65.2-173.6-66.8116.32.4112.4G20 K21 D206R17-G20 PolarHBondContact O-N 3.48Å; R17-K21 PolarHBondContact O-N 3.08Å; R17-D206 IonicContact CZ-OD2 3.05Å; R17-D206 IonicContact NH1-OD2 2.71Å; R17-D206 PolarHBondContact NH1-OD2 2.99Å
18G97.8Very high98.3Very high28 Ų2817.9 Ų17.929%0.2899%0.092SC..Hα-helixtrans53.3-136.2171.100000113.9G20 K21 A22G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.96Å; G18-K21 PolarHBondContact O-N 3.3Å; G18-A22 PolarHBondContact O-N 2.88Å
19I98.3Very high98.3Very high23 Ų2321 Ų2112%0.11811%0.113CC..Hα-helixtrans-57-44.8-177.7-61.9166.6000111.5K21 A22 I23 I157 P200 V203 T205 V239I19-K21 PolarHBondContact O-N 2.7Å; I19-A22 PolarHBondContact O-N 2.89Å; I19-I23 HydrophobicContact CG2-CD1 3.6Å; I19-I23 HydrophobicContact CG2-CG1 4.12Å; I19-I23 WeakPolarHBondContact O-CB 3.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.87Å; I19-I157 HydrophobicContact CG2-CG2 4.49Å; I19-P200 HydrophobicContact CD1-CB 3.89Å; I19-P200 HydrophobicContact CD1-CG 3.79Å; I19-V203 HydrophobicContact CD1-CB 4.26Å; I19-V203 HydrophobicContact CD1-CG2 3.8Å; I19-V203 HydrophobicContact CG1-CB 4.4Å; I19-V203 HydrophobicContact CG1-CG1 4.15Å; I19-V203 HydrophobicContact CG1-CG2 4.24Å; I19-T205 HydrophobicContact CG1-CG2 4.39Å; I19-V239 HydrophobicContact CG2-CG1 4.06Å
20G98.6Very high98.3Very high0 Ų024.1 Ų24.10%013%0.128CC..Hα-helixtrans-61.7-42-179.500000112.8R17 G18 S24 N102R17-G20 PolarHBondContact O-N 3.48Å; G18-G20 VanDerWaalsContact C-N 3.34Å; G18-G20 PolarHBondContact O-N 2.96Å; G20-S24 WeakPolarHBondContact O-CB 3.42Å; G20-S24 PolarHBondContact O-N 2.93Å; G20-S24 PolarHBondContact O-OG 2.91Å; G20-N102 WeakPolarHBondContact CA-ND2 3.5Å
21K98.7Very high98.2Very high61 Ų6125 Ų2527%0.26513%0.133SC..Hα-helixtrans-59.8-52.7172171.6175.2178.2175.50110.6A15 R17 G18 I19 I23 S24 L25 V50 E53A15-K21 VanDerWaalsContact O-CA 3.28Å; A15-K21 WeakPolarHBondContact O-CA 3.23Å; A15-K21 PolarHBondContact O-N 3.33Å; R17-K21 PolarHBondContact O-N 3.08Å; G18-K21 PolarHBondContact O-N 3.3Å; I19-K21 PolarHBondContact O-N 2.7Å; K21-I23 PolarHBondContact O-N 2.6Å; K21-S24 WeakPolarHBondContact O-CB 3.4Å; K21-S24 PolarHBondContact O-N 2.97Å; K21-S24 VanDerWaalsContact O-N 3.13Å; K21-L25 HydrophobicContact CD-CD1 4.45Å; K21-L25 HydrophobicContact CG-CD1 3.94Å; K21-L25 HydrophobicContact CG-CG 4.33Å; K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 3Å; K21-V50 HydrophobicContact CB-CG2 4.2Å; K21-V50 HydrophobicContact CD-CG2 3.75Å; K21-V50 HydrophobicContact CG-CG1 4.27Å; K21-V50 HydrophobicContact CG-CG2 3.7Å; K21-E53 WeakPolarHBondContact CE-OE2 3.35Å; K21-E53 IonicContact NZ-OE2 2.74Å; K21-E53 PolarHBondContact NZ-OE2 3.17Å
22A98.6Very high98Very high5 Ų525.2 Ų25.24%0.04113%0.134CC..Hα-helixtrans-62.8-41.6-176.100000112.6G18 I19 S24 L25 K26 S236 A240G18-A22 PolarHBondContact O-N 2.88Å; I19-A22 PolarHBondContact O-N 2.89Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 2.9Å; A22-L25 PolarHBondContact O-N 3.42Å; A22-K26 WeakPolarHBondContact O-CB 3.42Å; A22-K26 PolarHBondContact O-N 2.83Å; A22-S236 VanDerWaalsContact CB-C 3.41Å; A22-S236 WeakPolarHBondContact CB-O 3.35Å; A22-A240 VanDerWaalsContact C-CB 3.44Å; A22-A240 HydrophobicContact CB-CB 3.91Å; A22-A240 WeakPolarHBondContact O-CB 3.5Å
23I98.7Very high97.8Very high0 Ų029.1 Ų29.10%016%0.16CC..Hα-helixtrans-59.3-46.8172.9-71.9176.3000110.2I12 I19 K21 L25 K26 L27 I100 I157 A240 F243I12-I23 HydrophobicContact CD1-CG2 4.32Å; I19-I23 HydrophobicContact CG2-CD1 3.6Å; I19-I23 HydrophobicContact CG2-CG1 4.12Å; I19-I23 WeakPolarHBondContact O-CB 3.02Å; I19-I23 WeakPolarHBondContact O-CG1 3.4Å; I19-I23 PolarHBondContact O-N 2.87Å; K21-I23 PolarHBondContact O-N 2.6Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 2.8Å; I23-K26 PolarHBondContact O-N 2.75Å; I23-L27 WeakPolarHBondContact O-CB 3.27Å; I23-L27 PolarHBondContact O-N 3.3Å; I23-I100 HydrophobicContact CG2-CD1 3.93Å; I23-I157 HydrophobicContact CD1-CD1 4.02Å; I23-A240 HydrophobicContact CG1-CB 4.13Å; I23-F243 HydrophobicContact CD1-CB 4.47Å; I23-F243 HydrophobicContact CD1-CD1 4.12Å; I23-F243 HydrophobicContact CD1-CD2 4.49Å; I23-F243 HydrophobicContact CD1-CG 4.07Å; I23-F243 HydrophobicContact CG1-CB 4.47Å; I23-F243 HydrophobicContact CG1-CD1 4.11Å; I23-F243 HydrophobicContact CG1-CG 4.34Å; I23-F243 HydrophobicContact CG2-CD1 3.82Å; I23-F243 HydrophobicContact CG2-CE1 3.81Å
24S98.6Very high97.5Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-57.3-47.5179.4-56.60000111.6I12 G20 K21 A22 V28 L39I12-S24 WeakPolarHBondContact CD1-OG 3.43Å; G20-S24 WeakPolarHBondContact O-CB 3.42Å; G20-S24 PolarHBondContact O-N 2.93Å; G20-S24 PolarHBondContact O-OG 2.91Å; K21-S24 WeakPolarHBondContact O-CB 3.4Å; K21-S24 PolarHBondContact O-N 2.97Å; K21-S24 VanDerWaalsContact O-N 3.13Å; A22-S24 VanDerWaalsContact C-N 3.34Å; A22-S24 PolarHBondContact O-N 2.9Å; S24-V28 VanDerWaalsContact O-CG1 3.31Å; S24-V28 WeakPolarHBondContact O-CG1 3.33Å; S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.16Å; S24-L39 WeakPolarHBondContact OG-CD2 3.48Å
25L98.3Very high97.4Very high16 Ų1635.6 Ų35.68%0.08418%0.183CC..Hα-helixtrans-67.4-37.9-179.3-66.4177.8000113.4K21 A22 I23 V28 V50 E53 A54 K57K21-L25 HydrophobicContact CD-CD1 4.45Å; K21-L25 HydrophobicContact CG-CD1 3.94Å; K21-L25 HydrophobicContact CG-CG 4.33Å; K21-L25 WeakPolarHBondContact O-CG 3.33Å; K21-L25 PolarHBondContact O-N 3Å; A22-L25 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 2.8Å; L25-V28 WeakPolarHBondContact O-CG2 3.25Å; L25-V50 HydrophobicContact CD2-CG1 4.32Å; L25-E53 VanDerWaalsContact CD1-CD 3.49Å; L25-E53 HydrophobicContact CD1-CG 4.33Å; L25-E53 WeakPolarHBondContact CD1-OE1 3.28Å; L25-E53 HydrophobicContact CD2-CB 3.75Å; L25-E53 HydrophobicContact CD2-CG 3.65Å; L25-A54 HydrophobicContact CD2-CB 3.96Å; L25-K57 HydrophobicContact CB-CD 4.24Å; L25-K57 WeakPolarHBondContact O-CD 3.24Å
26K98Very high97.3Very high71 Ų7136 Ų3631%0.30919%0.185SC..Hα-helixtrans-77.3-44.5-179.8-172.573178.2-165.40111.1A22 I23 V28 S29 H30 A240 V244A22-K26 WeakPolarHBondContact O-CB 3.42Å; A22-K26 PolarHBondContact O-N 2.83Å; I23-K26 PolarHBondContact O-N 2.75Å; K26-V28 PolarHBondContact O-N 2.94Å; K26-S29 PolarHBondContact O-OG 3.2Å; K26-S29 VanDerWaalsContact O-OG 3.13Å; K26-H30 PolarHBondContact O-CD2 3.03Å; K26-H30 VanDerWaalsContact O-CD2 3.22Å; K26-A240 HydrophobicContact CB-CB 3.82Å; K26-A240 HydrophobicContact CG-CB 4.34Å; K26-V244 HydrophobicContact CB-CG2 4.48Å; K26-V244 HydrophobicContact CG-CG2 3.84Å
27L98.2Very high97.3Very high1 Ų135.2 Ų35.21%0.00518%0.179CC..Hα-helixtrans-65.4-38.2-170.7-178.962.6000112.6L4 I12 I23 S29 H30 L31 L98 I100 V244 L247L4-L27 HydrophobicContact CD2-CD1 4Å; I12-L27 HydrophobicContact CD1-CD2 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.27Å; I23-L27 PolarHBondContact O-N 3.3Å; L27-S29 VanDerWaalsContact C-N 3.27Å; L27-S29 PolarHBondContact O-N 3.48Å; L27-H30 WeakPolarHBondContact O-CA 3.23Å; L27-H30 WeakPolarHBondContact O-CB 3.36Å; L27-H30 PolarHBondContact O-N 3.41Å; L27-L31 HydrophobicContact CD1-CD2 4.02Å; L27-L31 HydrophobicContact CG-CD2 3.99Å; L27-L31 HydrophobicContact CG-CG 4.32Å; L27-L31 PolarHBondContact O-N 3.2Å; L27-L98 HydrophobicContact CD2-CD2 4Å; L27-I100 HydrophobicContact CD2-CD1 3.82Å; L27-V244 HydrophobicContact CD1-CG2 4.26Å; L27-L247 HydrophobicContact CD1-CD1 4.06Å
28V97.6Very high97.3Very high1 Ų128.9 Ų28.91%0.00616%0.155CC..G310 helixtrans-56.3-36.3-173.8-72.60000113.9S24 L25 K26 H30 L31 V37 A54 K57 A58 I63S24-V28 VanDerWaalsContact O-CG1 3.31Å; S24-V28 WeakPolarHBondContact O-CG1 3.33Å; S24-V28 WeakPolarHBondContact O-CG2 3.41Å; S24-V28 PolarHBondContact O-N 3.16Å; L25-V28 WeakPolarHBondContact O-CG2 3.25Å; K26-V28 PolarHBondContact O-N 2.94Å; V28-H30 PolarHBondContact O-N 3Å; V28-L31 PolarHBondContact O-N 3.04Å; V28-V37 HydrophobicContact CG1-CG2 3.95Å; V28-A54 HydrophobicContact CG1-CB 4.32Å; V28-A54 HydrophobicContact CG2-CB 4.19Å; V28-K57 HydrophobicContact CG2-CB 4.13Å; V28-A58 HydrophobicContact CB-CB 4.3Å; V28-I63 HydrophobicContact CG1-CD1 3.82Å
29S96.3Very high97.3Very high64 Ų6427.5 Ų27.545%0.44814%0.142SC..G310 helixtrans-74.6-6.2178.461.10000113.9K26 L27K26-S29 PolarHBondContact O-OG 3.2Å; K26-S29 VanDerWaalsContact O-OG 3.13Å; L27-S29 VanDerWaalsContact C-N 3.27Å; L27-S29 PolarHBondContact O-N 3.48Å
30H97.2Very high97.3Very high67 Ų6726.5 Ų26.531%0.3114%0.136SC..G310 helixtrans-109.9-0.4178.5-64.3-74.8000113.1L4 G5 K26 L27 V28 V244L4-H30 HydrophobicContact CB-CB 4.42Å; L4-H30 HydrophobicContact CD1-CB 4.06Å; L4-H30 HydrophobicContact CD2-CB 4.05Å; L4-H30 HydrophobicContact CG-CB 4.4Å; G5-H30 PolarHBondContact N-O 3.42Å; K26-H30 PolarHBondContact O-CD2 3.03Å; K26-H30 VanDerWaalsContact O-CD2 3.22Å; L27-H30 WeakPolarHBondContact O-CA 3.23Å; L27-H30 WeakPolarHBondContact O-CB 3.36Å; L27-H30 PolarHBondContact O-N 3.41Å; V28-H30 PolarHBondContact O-N 3Å; H30-V244 HydrophobicContact CB-CG1 4.45Å
31L96.8Very high97.3Very high19 Ų1926.9 Ų26.910%0.09914%0.139CC..SBendtrans-82.6154.5176.1-59.2-177000111T8 L27 V28 V37 V61T8-L31 HydrophobicContact CG2-CD2 4.24Å; L27-L31 HydrophobicContact CD1-CD2 4.02Å; L27-L31 HydrophobicContact CG-CD2 3.99Å; L27-L31 HydrophobicContact CG-CG 4.32Å; L27-L31 PolarHBondContact O-N 3.2Å; V28-L31 PolarHBondContact O-N 3.04Å; L31-V37 HydrophobicContact CD1-CG2 3.45Å; L31-V37 VanDerWaalsContact CD1-CG2 3.45Å; L31-V61 HydrophobicContact CB-CG2 4.18Å; L31-V61 HydrophobicContact CD1-CG1 4.42Å
32G94.9Very high97.3Very high3 Ų331.3 Ų31.33%0.03115%0.154CC..PPolyproline II helixtrans-72165.1175.500000112.6G5 K6 S35G5-G32 VanDerWaalsContact C-CA 3.46Å; G5-G32 WeakPolarHBondContact O-CA 3.41Å; K6-G32 WeakPolarHBondContact O-CA 3.41Å; K6-G32 PolarHBondContact O-N 3.14Å; G32-S35 PolarHBondContact N-OG 3.22Å; G32-S35 VanDerWaalsContact O-CB 3.29Å; G32-S35 WeakPolarHBondContact O-CB 3.4Å; G32-S35 PolarHBondContact O-N 3.44Å; G32-S35 PolarHBondContact O-OG 3.48Å
33P94Very high97.3Very high83 Ų8334.9 Ų34.954%0.53917%0.173SC..THydrogen-bonded Turntrans-59.7146.9177.226.7-35.1000111.4S35 D60P33-S35 PolarHBondContact O-N 2.95Å; P33-D60 HydrophobicContact CB-CB 4.09Å
34K93.9Very high97.3Very high155 Ų15540.7 Ų40.767%0.67420%0.2SC*.THydrogen-bonded Turntrans6320.2-176.2-50.5178.8179.6179.90114.2K7 D60K7-K34 HydrophobicContact CD-CB 4.2Å; K7-K34 WeakPolarHBondContact CE-O 3.46Å; K7-K34 HydrophobicContact CG-CB 4.25Å; K7-K34 WeakPolarHBondContact CG-O 3.39Å; K34-D60 WeakPolarHBondContact CA-O 3.47Å; K34-D60 PolarHBondContact N-O 3.18Å
35S96Very high97.3Very high0 Ų049 Ų490%024%0.236CC..EExtended strand (participates in β ladder)trans-67.5156168-61.90000110.6K6 T8 G32 P33 V61 S62K6-S35 PolarHBondContact O-OG 3.03Å; T8-S35 PolarHBondContact N-OG 3.34Å; T8-S35 CarbonylContact O-C 3.49Å; T8-S35 WeakPolarHBondContact O-CA 3.26Å; T8-S35 WeakPolarHBondContact O-CB 3.5Å; G32-S35 PolarHBondContact N-OG 3.22Å; G32-S35 VanDerWaalsContact O-CB 3.29Å; G32-S35 WeakPolarHBondContact O-CB 3.4Å; G32-S35 PolarHBondContact O-N 3.44Å; G32-S35 PolarHBondContact O-OG 3.48Å; P33-S35 PolarHBondContact O-N 2.95Å; S35-V61 WeakPolarHBondContact O-CA 3.4Å; S35-S62 PolarHBondContact O-N 3.49Å; S35-S62 PolarHBondContact O-OG 2.97Å
36H96.5Very high97.3Very high8 Ų849.2 Ų49.24%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-126.9134173.4-170.668.8000110.7T8 L9 C10 S62 S64 T89 F94T8-H36 PolarHBondContact O-N 3.1Å; L9-H36 WeakPolarHBondContact CA-O 3.33Å; L9-H36 HydrophobicContact CD1-CB 4.08Å; C10-H36 PolarHBondContact N-O 3.3Å; H36-S62 CarbonylContact C-O 3.43Å; H36-S62 VanDerWaalsContact CA-O 3.31Å; H36-S62 WeakPolarHBondContact CA-O 3.44Å; H36-S62 PolarHBondContact ND1-O 3.4Å; H36-S62 PolarHBondContact ND1-OG 3.46Å; H36-S64 PolarHBondContact CE1-OG 2.8Å; H36-S64 WeakPolarHBondContact NE2-CB 3.26Å; H36-S64 PolarHBondContact NE2-OG 2.89Å; H36-T89 HydrophobicContact CB-CG2 3.62Å; H36-T89 WeakPolarHBondContact CD2-CG2 3.25Å; H36-F94 HydrophobicContact CB-CE1 4.21Å; H36-F94 HydrophobicContact CB-CZ 4.08Å
37V97.7Very high97.3Very high1 Ų145.9 Ų45.91%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-118.1125.1175.6-1740000110C10 I12 V28 L31 L39 V61 S62 I63 S64C10-V37 HydrophobicContact CB-CG1 4.35Å; C10-V37 HydrophobicContact CB-CG2 4.15Å; C10-V37 CarbonylContact O-C 3.52Å; C10-V37 WeakPolarHBondContact O-CA 3.31Å; I12-V37 HydrophobicContact CD1-CG1 4.08Å; I12-V37 HydrophobicContact CG1-CG1 4.48Å; V28-V37 HydrophobicContact CG1-CG2 3.95Å; L31-V37 HydrophobicContact CD1-CG2 3.45Å; L31-V37 VanDerWaalsContact CD1-CG2 3.45Å; V37-L39 HydrophobicContact CG1-CD2 3.69Å; V37-L39 HydrophobicContact CG1-CG 4.47Å; V37-V61 HydrophobicContact CG2-CG1 3.98Å; V37-S62 PolarHBondContact N-O 3.31Å; V37-I63 HydrophobicContact CB-CG1 4.32Å; V37-I63 HydrophobicContact CB-CG2 4.46Å; V37-I63 CarbonylContact O-C 3.59Å; V37-I63 VanDerWaalsContact O-CA 3.26Å; V37-I63 WeakPolarHBondContact O-CA 3.46Å; V37-S64 PolarHBondContact O-N 3.27Å
38I98.2Very high97.3Very high0 Ų048.7 Ų48.70%024%0.239CC..EExtended strand (participates in β ladder)trans-101.8111.7174.8-55172.7000107.7L9 C10 V11 I12 L66 A85 I86L9-I38 HydrophobicContact CD1-CD1 4.04Å; L9-I38 HydrophobicContact CD1-CG1 4.43Å; C10-I38 PolarHBondContact O-N 3.39Å; V11-I38 HydrophobicContact CG2-CB 4.05Å; V11-I38 HydrophobicContact CG2-CD1 3.91Å; V11-I38 HydrophobicContact CG2-CG1 4.38Å; I12-I38 PolarHBondContact N-O 3.44Å; I38-L66 HydrophobicContact CG2-CB 3.81Å; I38-L66 HydrophobicContact CG2-CD2 4.25Å; I38-A85 HydrophobicContact CD1-CB 3.81Å; I38-A85 HydrophobicContact CG1-CB 4.35Å; I38-A85 HydrophobicContact CG2-CB 4.2Å; I38-I86 HydrophobicContact CD1-CG1 3.92Å
39L98.8Very high97.4Very high0 Ų052.9 Ų52.90%026%0.264CS..EExtended strand (participates in β ladder)trans-90.5112.1177.4-54.5-179.5000109.7I12 A15 S24 V37 L47 V50 R51 I63 S64 I65 L66I12-L39 HydrophobicContact CD1-CD2 4.48Å; A15-L39 HydrophobicContact CB-CB 3.83Å; A15-L39 HydrophobicContact CB-CD2 3.98Å; A15-L39 HydrophobicContact CB-CG 4.45Å; S24-L39 WeakPolarHBondContact OG-CD2 3.48Å; V37-L39 HydrophobicContact CG1-CD2 3.69Å; V37-L39 HydrophobicContact CG1-CG 4.47Å; L39-L47 HydrophobicContact CB-CD2 3.81Å; L39-V50 HydrophobicContact CD1-CB 4.21Å; L39-V50 HydrophobicContact CD1-CG1 3.83Å; L39-R51 HydrophobicContact CD1-CB 4.21Å; L39-I63 HydrophobicContact CD1-CG2 3.65Å; L39-I63 HydrophobicContact CD2-CG2 4.5Å; L39-I63 HydrophobicContact CG-CG2 3.74Å; L39-S64 PolarHBondContact N-O 2.82Å; L39-I65 HydrophobicContact CB-CG2 4.43Å; L39-I65 CarbonylContact O-C 3.56Å; L39-I65 WeakPolarHBondContact O-CA 3.49Å; L39-L66 PolarHBondContact O-N 3.32Å
40L98.8Very high97.5Very high2 Ų250 Ų501%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-109.5126-175.7-173167.4000111.1I12 T13 G14 A15 L66 L68 L70 F136I12-L40 PolarHBondContact O-N 2.99Å; T13-L40 CarbonylContact C-O 3.52Å; T13-L40 HydrophobicContact CG2-CD1 4.24Å; T13-L40 HydrophobicContact CG2-CD2 4.35Å; G14-L40 PolarHBondContact N-O 3.48Å; A15-L40 PolarHBondContact N-O 3.47Å; A15-L40 VanDerWaalsContact N-O 3.09Å; L40-L66 WeakPolarHBondContact CA-O 3.33Å; L40-L66 HydrophobicContact CB-CB 4.33Å; L40-L66 HydrophobicContact CD1-CD2 3.97Å; L40-L66 HydrophobicContact CD1-CG 4.47Å; L40-L66 HydrophobicContact CG-CB 4.37Å; L40-L66 HydrophobicContact CG-CD2 4.42Å; L40-L66 HydrophobicContact CG-CG 4.42Å; L40-L68 HydrophobicContact CD1-CD2 4.27Å; L40-L68 HydrophobicContact CD2-CB 4.44Å; L40-L68 HydrophobicContact CG-CB 4.37Å; L40-L70 HydrophobicContact CD1-CD2 4.42Å; L40-L70 HydrophobicContact CD2-CD1 3.91Å; L40-L70 HydrophobicContact CD2-CD2 4.21Å; L40-L70 HydrophobicContact CD2-CG 3.95Å; L40-F136 HydrophobicContact CD1-CE1 4.25Å; L40-F136 HydrophobicContact CD1-CE2 3.57Å; L40-F136 HydrophobicContact CD1-CZ 3.29Å
41A98.7Very high97.5Very high7 Ų750.3 Ų50.36%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-164.3178168.200000109.5S16 L47 L66 P67 L68S16-A41 WeakPolarHBondContact OG-CB 3.23Å; A41-L47 HydrophobicContact CB-CD1 4.1Å; A41-L47 HydrophobicContact CB-CD2 3.74Å; A41-L47 HydrophobicContact CB-CG 3.96Å; A41-L66 PolarHBondContact N-O 3.42Å; A41-P67 CarbonylContact O-C 3.53Å; A41-P67 WeakPolarHBondContact O-CA 3.43Å; A41-L68 CarbonylContact C-O 3.57Å; A41-L68 PolarHBondContact O-N 3.21Å
42R98.1Very high97.6Very high154 Ų15453.6 Ų53.658%0.58126%0.263SS*.SBendtrans-75.6-38.8175.7-66.2174.9-63.7174.1-0.6113.4Q44 D69R42-Q44 PolarHBondContact O-N 3Å; R42-D69 VanDerWaalsContact CD-OD2 3.25Å; R42-D69 WeakPolarHBondContact CD-OD2 3.35Å; R42-D69 HydrophobicContact CG-CB 3.88Å
43D98.2Very high97.8Very high81 Ų8156.7 Ų56.743%0.43328%0.276SS..  trans-85.3100.4-171.8-174.4-21.2000111.2K45 A46 L47D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 2.84Å; D43-K45 PolarHBondContact OD1-N 2.92Å; D43-A46 HydrophobicContact CB-CB 3.92Å; D43-A46 PolarHBondContact O-N 2.76Å; D43-A46 PolarHBondContact OD1-N 3.09Å; D43-L47 VanDerWaalsContact O-CG 3.31Å; D43-L47 WeakPolarHBondContact O-CG 3.26Å; D43-L47 PolarHBondContact O-N 2.82Å
44Q98.4Very high97.9Very high122 Ų12252.7 Ų52.757%0.5725%0.251SS*.Hα-helixtrans-59.1-39.2178.5-177.9173.7-18.800113.1R42 L47 E48 I65 P67R42-Q44 PolarHBondContact O-N 3Å; Q44-L47 PolarHBondContact O-N 2.85Å; Q44-E48 PolarHBondContact O-N 2.85Å; Q44-I65 HydrophobicContact CG-CD1 3.95Å; Q44-P67 HydrophobicContact CB-CB 4.09Å; Q44-P67 HydrophobicContact CB-CG 3.75Å; Q44-P67 HydrophobicContact CG-CG 3.74Å
45K98.6Very high98Very high174 Ų17448.8 Ų48.876%0.75724%0.237SC*.Hα-helixtrans-69.3-42.8-177.9-68-178.2-179.3178.40110.6D43 L47 E48 V49D43-K45 VanDerWaalsContact C-N 3.32Å; D43-K45 PolarHBondContact O-N 2.84Å; D43-K45 PolarHBondContact OD1-N 2.92Å; K45-L47 VanDerWaalsContact C-N 3.35Å; K45-E48 WeakPolarHBondContact O-CB 3.03Å; K45-E48 PolarHBondContact O-N 3.2Å; K45-V49 WeakPolarHBondContact O-CG2 3.47Å; K45-V49 PolarHBondContact O-N 2.8Å; K45-V49 VanDerWaalsContact O-N 3.16Å
46A98.5Very high98.1Very high21 Ų2153.3 Ų53.317%0.17427%0.269CS..Hα-helixtrans-65.3-39.1176.200000111.9D43 E48 V49 V50D43-A46 HydrophobicContact CB-CB 3.92Å; D43-A46 PolarHBondContact O-N 2.76Å; D43-A46 PolarHBondContact OD1-N 3.09Å; A46-E48 VanDerWaalsContact C-N 3.33Å; A46-E48 PolarHBondContact O-N 2.87Å; A46-V49 PolarHBondContact O-N 3.02Å; A46-V50 WeakPolarHBondContact O-CG2 3.35Å; A46-V50 PolarHBondContact O-N 3.19Å; A46-V50 VanDerWaalsContact O-N 3.13Å
47L98.8Very high98Very high0 Ų057.8 Ų57.80%029%0.288CS..Hα-helixtrans-60.9-41.4173.4-73.1173.1000112.4A15 L39 A41 D43 Q44 K45 V49 V50 R51 I65 P67A15-L47 HydrophobicContact CB-CD2 4.06Å; L39-L47 HydrophobicContact CB-CD2 3.81Å; A41-L47 HydrophobicContact CB-CD1 4.1Å; A41-L47 HydrophobicContact CB-CD2 3.74Å; A41-L47 HydrophobicContact CB-CG 3.96Å; D43-L47 VanDerWaalsContact O-CG 3.31Å; D43-L47 WeakPolarHBondContact O-CG 3.26Å; D43-L47 PolarHBondContact O-N 2.82Å; Q44-L47 PolarHBondContact O-N 2.85Å; K45-L47 VanDerWaalsContact C-N 3.35Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.92Å; L47-V50 PolarHBondContact O-N 2.85Å; L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 PolarHBondContact O-N 2.83Å; L47-I65 HydrophobicContact CB-CB 3.97Å; L47-I65 HydrophobicContact CB-CD1 4.45Å; L47-I65 HydrophobicContact CB-CG2 3.74Å; L47-I65 HydrophobicContact CD1-CB 4.23Å; L47-P67 HydrophobicContact CD1-CG 4.4Å
48E98.6Very high97.7Very high61 Ų6158.5 Ų58.529%0.28529%0.294SS..Hα-helixtrans-60.8-43.1177.7-173.456.5-135.700112Q44 K45 A46 V50 R51 V52Q44-E48 PolarHBondContact O-N 2.85Å; K45-E48 WeakPolarHBondContact O-CB 3.03Å; K45-E48 PolarHBondContact O-N 3.2Å; A46-E48 VanDerWaalsContact C-N 3.33Å; A46-E48 PolarHBondContact O-N 2.87Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 3.36Å; E48-R51 WeakPolarHBondContact O-CB 3.22Å; E48-R51 PolarHBondContact O-N 3.45Å; E48-R51 IonicContact OE1-CZ 3.06Å; E48-R51 IonicContact OE1-NE 3.68Å; E48-R51 PolarHBondContact OE1-NE 2.61Å; E48-R51 IonicContact OE1-NH2 2.6Å; E48-R51 PolarHBondContact OE1-NH2 2.96Å; E48-R51 IonicContact OE2-CZ 3.84Å; E48-R51 IonicContact OE2-NE 3.5Å; E48-R51 PolarHBondContact OE2-NE 3.15Å; E48-R51 IonicContact OE2-NH1 3.48Å; E48-R51 PolarHBondContact OE2-NH1 3.13Å; E48-R51 IonicContact OE2-NH2 2.7Å; E48-R51 PolarHBondContact OE2-NH2 3.46Å; E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.74Å
49V98.6Very high96.9Very high89 Ų8964.9 Ų64.954%0.53933%0.333SS..Hα-helixtrans-59.1-46.9174.6172.60000110.9K45 A46 L47 R51 V52 E53K45-V49 WeakPolarHBondContact O-CG2 3.47Å; K45-V49 PolarHBondContact O-N 2.8Å; K45-V49 VanDerWaalsContact O-N 3.16Å; A46-V49 PolarHBondContact O-N 3.02Å; L47-V49 VanDerWaalsContact C-N 3.34Å; L47-V49 PolarHBondContact O-N 2.92Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.24Å; V49-V52 PolarHBondContact O-N 3.08Å; V49-E53 WeakPolarHBondContact O-CB 3.5Å; V49-E53 PolarHBondContact O-N 3.04Å
50V98.6Very high96.6Very high2 Ų269.8 Ų69.81%0.01236%0.359CS..Hα-helixtrans-64.8-39178.3179.80000111.3K21 L25 L39 A46 L47 E48 E53 A54K21-V50 HydrophobicContact CB-CG2 4.2Å; K21-V50 HydrophobicContact CD-CG2 3.75Å; K21-V50 HydrophobicContact CG-CG1 4.27Å; K21-V50 HydrophobicContact CG-CG2 3.7Å; L25-V50 HydrophobicContact CD2-CG1 4.32Å; L39-V50 HydrophobicContact CD1-CB 4.21Å; L39-V50 HydrophobicContact CD1-CG1 3.83Å; A46-V50 WeakPolarHBondContact O-CG2 3.35Å; A46-V50 PolarHBondContact O-N 3.19Å; A46-V50 VanDerWaalsContact O-N 3.13Å; L47-V50 PolarHBondContact O-N 2.85Å; E48-V50 VanDerWaalsContact C-N 3.35Å; E48-V50 PolarHBondContact O-N 3.36Å; V50-E53 PolarHBondContact O-N 2.8Å; V50-A54 WeakPolarHBondContact O-CB 3.47Å; V50-A54 PolarHBondContact O-N 2.9Å
51R98Very high96.4Very high74 Ų7470.3 Ų70.328%0.27936%0.362SS..Hα-helixtrans-58.5-52.4176.6179.3179.573.6-179.215.4111.4L39 L47 E48 V49 E53 A54 L55 I63 I65L39-R51 HydrophobicContact CD1-CB 4.21Å; L47-R51 WeakPolarHBondContact O-CB 3.48Å; L47-R51 PolarHBondContact O-N 2.83Å; E48-R51 WeakPolarHBondContact O-CB 3.22Å; E48-R51 PolarHBondContact O-N 3.45Å; E48-R51 IonicContact OE1-CZ 3.06Å; E48-R51 IonicContact OE1-NE 3.68Å; E48-R51 PolarHBondContact OE1-NE 2.61Å; E48-R51 IonicContact OE1-NH2 2.6Å; E48-R51 PolarHBondContact OE1-NH2 2.96Å; E48-R51 IonicContact OE2-CZ 3.84Å; E48-R51 IonicContact OE2-NE 3.5Å; E48-R51 PolarHBondContact OE2-NE 3.15Å; E48-R51 IonicContact OE2-NH1 3.48Å; E48-R51 PolarHBondContact OE2-NH1 3.13Å; E48-R51 IonicContact OE2-NH2 2.7Å; E48-R51 PolarHBondContact OE2-NH2 3.46Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.24Å; R51-E53 VanDerWaalsContact C-N 3.34Å; R51-E53 PolarHBondContact O-N 3.41Å; R51-A54 PolarHBondContact O-N 3.33Å; R51-L55 HydrophobicContact CG-CD1 3.93Å; R51-L55 HydrophobicContact CG-CG 4.43Å; R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 3.27Å; R51-I63 HydrophobicContact CB-CG2 4.32Å; R51-I63 WeakPolarHBondContact CD-O 3.42Å; R51-I63 HydrophobicContact CG-CB 4.06Å; R51-I63 HydrophobicContact CG-CG2 3.85Å; R51-I65 HydrophobicContact CB-CG2 3.99Å
52V98Very high96.2Very high88 Ų8872.6 Ų72.653%0.53338%0.378SS..Hα-helixtrans-61-45.3-179.6172.20000110.7E48 V49 A54 L55 S56E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.74Å; V49-V52 PolarHBondContact O-N 3.08Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 2.97Å; V52-L55 PolarHBondContact O-N 3.3Å; V52-S56 PolarHBondContact O-N 2.86Å
53E98Very high96.1Very high68 Ų6866.1 Ų66.132%0.31836%0.355SS..Hα-helixtrans-63.4-40.3178.3-167.6-174.716200111.7K21 L25 V49 V50 R51 S56K21-E53 WeakPolarHBondContact CE-OE2 3.35Å; K21-E53 IonicContact NZ-OE2 2.74Å; K21-E53 PolarHBondContact NZ-OE2 3.17Å; L25-E53 VanDerWaalsContact CD1-CD 3.49Å; L25-E53 HydrophobicContact CD1-CG 4.33Å; L25-E53 WeakPolarHBondContact CD1-OE1 3.28Å; L25-E53 HydrophobicContact CD2-CB 3.75Å; L25-E53 HydrophobicContact CD2-CG 3.65Å; V49-E53 WeakPolarHBondContact O-CB 3.5Å; V49-E53 PolarHBondContact O-N 3.04Å; V50-E53 PolarHBondContact O-N 2.8Å; R51-E53 VanDerWaalsContact C-N 3.34Å; R51-E53 PolarHBondContact O-N 3.41Å; E53-S56 PolarHBondContact O-N 3.23Å; E53-S56 PolarHBondContact O-OG 3.42Å
54A97.7Very high96.1Very high0 Ų062.7 Ų62.70%034%0.337CS..Hα-helixtrans-68.6-41.9177.800000112.7L25 V28 V50 R51 V52 S56 K57 I63L25-A54 HydrophobicContact CD2-CB 3.96Å; V28-A54 HydrophobicContact CG1-CB 4.32Å; V28-A54 HydrophobicContact CG2-CB 4.19Å; V50-A54 WeakPolarHBondContact O-CB 3.47Å; V50-A54 PolarHBondContact O-N 2.9Å; R51-A54 PolarHBondContact O-N 3.33Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 2.97Å; A54-S56 PolarHBondContact O-N 3.41Å; A54-K57 WeakPolarHBondContact O-CB 3.41Å; A54-K57 PolarHBondContact O-N 2.83Å; A54-I63 HydrophobicContact CB-CD1 3.35Å
55L96.4Very high96Very high73 Ų7358.3 Ų58.338%0.38232%0.317SS..Hα-helixtrans-61.4-28.8175.2-75170.4000112.2R51 V52 K57 I63R51-L55 HydrophobicContact CG-CD1 3.93Å; R51-L55 HydrophobicContact CG-CG 4.43Å; R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 WeakPolarHBondContact O-CG 3.45Å; R51-L55 PolarHBondContact O-N 3.27Å; V52-L55 PolarHBondContact O-N 3.3Å; L55-K57 PolarHBondContact O-N 3.37Å; L55-I63 HydrophobicContact CD2-CB 4.24Å; L55-I63 HydrophobicContact CD2-CD1 4.07Å; L55-I63 HydrophobicContact CD2-CG1 3.92Å; L55-I63 HydrophobicContact CG-CB 4.37Å; L55-I63 HydrophobicContact CG-CD1 4.06Å; L55-I63 HydrophobicContact CG-CG1 4.29Å
56S96.3Very high96Very high95 Ų9551 Ų5166%0.66429%0.286SS*.THydrogen-bonded Turntrans-68-14.8174.280.60000113.9V52 E53 A54V52-S56 PolarHBondContact O-N 2.86Å; E53-S56 PolarHBondContact O-N 3.23Å; E53-S56 PolarHBondContact O-OG 3.42Å; A54-S56 PolarHBondContact O-N 3.41Å
57K94.8Very high96Very high102 Ų10252.7 Ų52.744%0.44330%0.296SS..THydrogen-bonded Turntrans-101.2-12-176.3-62.7177.8-176.2-66.40113.8L25 V28 A54 L55L25-K57 HydrophobicContact CB-CD 4.24Å; L25-K57 WeakPolarHBondContact O-CD 3.24Å; V28-K57 HydrophobicContact CG2-CB 4.13Å; A54-K57 WeakPolarHBondContact O-CB 3.41Å; A54-K57 PolarHBondContact O-N 2.83Å; L55-K57 PolarHBondContact O-N 3.37Å
58A90.8Very high96Very high15 Ų1553.7 Ų53.712%0.12430%0.301CS..  trans-150.1129.7-179.500000110.9V28 V61V28-A58 HydrophobicContact CB-CB 4.3Å; A58-V61 HydrophobicContact CB-CB 4.24Å; A58-V61 HydrophobicContact CB-CG2 4.12Å
59T83.3Confident96Very high134 Ų13452.9 Ų52.982%0.82230%0.298SS*.SBendtrans-89-25.8-177.755.50000113.7
60D91.2Very high96Very high103 Ų10349 Ų4955%0.55128%0.275SS*.SBendtrans-108.617.4-169-60-10.5000112.8P33 K34P33-D60 HydrophobicContact CB-CB 4.09Å; K34-D60 WeakPolarHBondContact CA-O 3.47Å; K34-D60 PolarHBondContact N-O 3.18Å
61V94.6Very high95.9Very high13 Ų1351.2 Ų51.28%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-120.2133.8179.7178.70000108.6L31 S35 V37 A58 I63L31-V61 HydrophobicContact CB-CG2 4.18Å; L31-V61 HydrophobicContact CD1-CG1 4.42Å; S35-V61 WeakPolarHBondContact O-CA 3.4Å; V37-V61 HydrophobicContact CG2-CG1 3.98Å; A58-V61 HydrophobicContact CB-CB 4.24Å; A58-V61 HydrophobicContact CB-CG2 4.12Å; V61-I63 HydrophobicContact CG1-CG1 4.34Å
62S95.2Very high95.8Very high56 Ų5652.3 Ų52.339%0.39230%0.301SS..EExtended strand (participates in β ladder)trans-94147.517156.40000110.6S35 H36 V37S35-S62 PolarHBondContact O-N 3.49Å; S35-S62 PolarHBondContact O-OG 2.97Å; H36-S62 CarbonylContact C-O 3.43Å; H36-S62 VanDerWaalsContact CA-O 3.31Å; H36-S62 WeakPolarHBondContact CA-O 3.44Å; H36-S62 PolarHBondContact ND1-O 3.4Å; H36-S62 PolarHBondContact ND1-OG 3.46Å; V37-S62 PolarHBondContact N-O 3.31Å
63I96.3Very high95.8Very high17 Ų1750.4 Ų50.49%0.08729%0.29CS..EExtended strand (participates in β ladder)trans-134.3122.9-177.3-53-176.6000109V28 V37 L39 R51 A54 L55 V61V28-I63 HydrophobicContact CG1-CD1 3.82Å; V37-I63 HydrophobicContact CB-CG1 4.32Å; V37-I63 HydrophobicContact CB-CG2 4.46Å; V37-I63 CarbonylContact O-C 3.59Å; V37-I63 VanDerWaalsContact O-CA 3.26Å; V37-I63 WeakPolarHBondContact O-CA 3.46Å; L39-I63 HydrophobicContact CD1-CG2 3.65Å; L39-I63 HydrophobicContact CD2-CG2 4.5Å; L39-I63 HydrophobicContact CG-CG2 3.74Å; R51-I63 HydrophobicContact CB-CG2 4.32Å; R51-I63 WeakPolarHBondContact CD-O 3.42Å; R51-I63 HydrophobicContact CG-CB 4.06Å; R51-I63 HydrophobicContact CG-CG2 3.85Å; A54-I63 HydrophobicContact CB-CD1 3.35Å; L55-I63 HydrophobicContact CD2-CB 4.24Å; L55-I63 HydrophobicContact CD2-CD1 4.07Å; L55-I63 HydrophobicContact CD2-CG1 3.92Å; L55-I63 HydrophobicContact CG-CB 4.37Å; L55-I63 HydrophobicContact CG-CD1 4.06Å; L55-I63 HydrophobicContact CG-CG1 4.29Å; V61-I63 HydrophobicContact CG1-CG1 4.34Å
64S96.5Very high95.8Very high9 Ų951 Ų516%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-108.8162.8171.3640000110.4H36 V37 L39H36-S64 PolarHBondContact CE1-OG 2.8Å; H36-S64 WeakPolarHBondContact NE2-CB 3.26Å; H36-S64 PolarHBondContact NE2-OG 2.89Å; V37-S64 PolarHBondContact O-N 3.27Å; L39-S64 PolarHBondContact N-O 2.82Å
65I98Very high95.9Very high30 Ų3056.8 Ų56.815%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-115.7142.817461.9173.2000108.8L39 Q44 L47 R51L39-I65 HydrophobicContact CB-CG2 4.43Å; L39-I65 CarbonylContact O-C 3.56Å; L39-I65 WeakPolarHBondContact O-CA 3.49Å; Q44-I65 HydrophobicContact CG-CD1 3.95Å; L47-I65 HydrophobicContact CB-CB 3.97Å; L47-I65 HydrophobicContact CB-CD1 4.45Å; L47-I65 HydrophobicContact CB-CG2 3.74Å; L47-I65 HydrophobicContact CD1-CB 4.23Å; R51-I65 HydrophobicContact CB-CG2 3.99Å
66L98.3Very high96Very high21 Ų2158.4 Ų58.411%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-126.388.4176.5-172.956.3000109.9I38 L39 L40 A41 L68 A81 L82I38-L66 HydrophobicContact CG2-CB 3.81Å; I38-L66 HydrophobicContact CG2-CD2 4.25Å; L39-L66 PolarHBondContact O-N 3.32Å; L40-L66 WeakPolarHBondContact CA-O 3.33Å; L40-L66 HydrophobicContact CB-CB 4.33Å; L40-L66 HydrophobicContact CD1-CD2 3.97Å; L40-L66 HydrophobicContact CD1-CG 4.47Å; L40-L66 HydrophobicContact CG-CB 4.37Å; L40-L66 HydrophobicContact CG-CD2 4.42Å; L40-L66 HydrophobicContact CG-CG 4.42Å; A41-L66 PolarHBondContact N-O 3.42Å; L66-L68 HydrophobicContact CG-CB 4.38Å; L66-L68 PolarHBondContact O-N 3.07Å; L66-L68 VanDerWaalsContact O-N 3.07Å; L66-A81 HydrophobicContact CD1-CB 4.13Å; L66-A81 HydrophobicContact CD2-CB 4.28Å; L66-L82 HydrophobicContact CD2-CD2 4.22Å
67P98.2Very high96Very high57 Ų5757.2 Ų57.237%0.3731%0.312SS..EExtended strand (participates in β ladder)trans-64.7104.1172.2-19.733.7000110.3A41 Q44 L47A41-P67 CarbonylContact O-C 3.53Å; A41-P67 WeakPolarHBondContact O-CA 3.43Å; Q44-P67 HydrophobicContact CB-CB 4.09Å; Q44-P67 HydrophobicContact CB-CG 3.75Å; Q44-P67 HydrophobicContact CG-CG 3.74Å; L47-P67 HydrophobicContact CD1-CG 4.4Å
68L98.4Very high96.2Very high20 Ų2052.4 Ų52.411%0.10529%0.291CS..  trans-148134.2-177-178.462.3000110.9L40 A41 L66 L70 L77 Y78 A81 F136L40-L68 HydrophobicContact CD1-CD2 4.27Å; L40-L68 HydrophobicContact CD2-CB 4.44Å; L40-L68 HydrophobicContact CG-CB 4.37Å; A41-L68 CarbonylContact C-O 3.57Å; A41-L68 PolarHBondContact O-N 3.21Å; L66-L68 HydrophobicContact CG-CB 4.38Å; L66-L68 PolarHBondContact O-N 3.07Å; L66-L68 VanDerWaalsContact O-N 3.07Å; L68-L70 HydrophobicContact CD2-CD2 4.15Å; L68-L70 HydrophobicContact CG-CD2 4.49Å; L68-L77 HydrophobicContact CD1-CD2 4.04Å; L68-L77 HydrophobicContact CD1-CG 4.15Å; L68-Y78 HydrophobicContact CD2-CD1 3.9Å; L68-Y78 HydrophobicContact CD2-CE1 4.26Å; L68-A81 HydrophobicContact CD2-CB 4.25Å; L68-F136 HydrophobicContact CD2-CE2 4.45Å
69D98.2Very high96.6Very high44 Ų4454.9 Ų54.924%0.23530%0.3CS..  trans-89.5111.9168.5-162.7-22.9000110.3R42 S71 N72R42-D69 VanDerWaalsContact CD-OD2 3.25Å; R42-D69 WeakPolarHBondContact CD-OD2 3.35Å; R42-D69 HydrophobicContact CG-CB 3.88Å; D69-S71 PolarHBondContact O-N 3.3Å; D69-S71 WeakPolarHBondContact OD1-CB 3.42Å; D69-S71 PolarHBondContact OD1-N 2.97Å; D69-S71 PolarHBondContact OD1-OG 3.45Å; D69-S71 PolarHBondContact OD2-OG 3.1Å; D69-N72 PolarHBondContact O-N 3.46Å
70L98.4Very high97.3Very high9 Ų952.9 Ų52.95%0.04729%0.288CS..THydrogen-bonded Turntrans-73.2-11.1178.1-66.6177.3000112.8T13 L40 L68 N72 Y78 A103 L128 S132 F136T13-L70 HydrophobicContact CG2-CD1 4.17Å; L40-L70 HydrophobicContact CD1-CD2 4.42Å; L40-L70 HydrophobicContact CD2-CD1 3.91Å; L40-L70 HydrophobicContact CD2-CD2 4.21Å; L40-L70 HydrophobicContact CD2-CG 3.95Å; L68-L70 HydrophobicContact CD2-CD2 4.15Å; L68-L70 HydrophobicContact CG-CD2 4.49Å; L70-N72 PolarHBondContact O-N 3.17Å; L70-Y78 HydrophobicContact CD2-CE1 4.04Å; L70-Y78 PolarHBondContact O-OH 2.59Å; L70-A103 HydrophobicContact CD1-CB 3.89Å; L70-L128 HydrophobicContact CB-CD1 3.8Å; L70-S132 WeakPolarHBondContact O-CB 3.47Å; L70-F136 HydrophobicContact CD2-CD2 3.78Å; L70-F136 HydrophobicContact CD2-CE2 4.07Å; L70-F136 HydrophobicContact CD2-CG 4.41Å
71S97.2Very high97.6Very high47 Ų4748.9 Ų48.933%0.32927%0.269SS..THydrogen-bonded Turntrans-69.5-22.7172.465.80000112.3D69 V73D69-S71 PolarHBondContact O-N 3.3Å; D69-S71 WeakPolarHBondContact OD1-CB 3.42Å; D69-S71 PolarHBondContact OD1-N 2.97Å; D69-S71 PolarHBondContact OD1-OG 3.45Å; D69-S71 PolarHBondContact OD2-OG 3.1Å; S71-V73 VanDerWaalsContact C-N 3.27Å; S71-V73 PolarHBondContact O-N 3.05Å
72N96.7Very high97.7Very high97 Ų9748.3 Ų48.352%0.51927%0.265SS..SBendtrans-79.674.6172-67.3-32.5000110.2D69 L70 N74 L77 Y78D69-N72 PolarHBondContact O-N 3.46Å; L70-N72 PolarHBondContact O-N 3.17Å; N72-N74 PolarHBondContact O-N 2.94Å; N72-L77 HydrophobicContact CB-CD2 4.2Å; N72-Y78 WeakPolarHBondContact O-CE1 3.26Å; N72-Y78 PolarHBondContact O-OH 3.42Å
73V97.9Very high97.7Very high48 Ų4847.9 Ų47.929%0.29126%0.258SS..  trans-65.8101.9-175.7-174.20000111S71 Y78 D127 T131 I135S71-V73 VanDerWaalsContact C-N 3.27Å; S71-V73 PolarHBondContact O-N 3.05Å; V73-Y78 WeakPolarHBondContact CA-OH 3.4Å; V73-D127 HydrophobicContact CG2-CB 3.98Å; V73-D127 WeakPolarHBondContact CG2-O 3.22Å; V73-T131 HydrophobicContact CG1-CG2 3.77Å; V73-I135 HydrophobicContact CG1-CB 4.49Å; V73-I135 HydrophobicContact CG1-CG1 4.06Å
74N98.2Very high97.7Very high80 Ų8055.1 Ų55.143%0.42829%0.285SS..  trans-151.1117.7178.4-177.4-50.7000110N72 E76 L77 Y78N72-N74 PolarHBondContact O-N 2.94Å; N74-E76 PolarHBondContact O-N 2.98Å; N74-E76 PolarHBondContact OD1-N 2.95Å; N74-L77 HydrophobicContact CB-CB 3.79Å; N74-L77 PolarHBondContact O-N 3.05Å; N74-L77 PolarHBondContact OD1-N 3.36Å; N74-Y78 WeakPolarHBondContact O-CD1 3.46Å; N74-Y78 VanDerWaalsContact O-CG 3.28Å; N74-Y78 PolarHBondContact O-N 3.49Å
75K98.2Very high97.6Very high123 Ų12355 Ų5554%0.53528%0.284SS..Hα-helixtrans-56.3-47.6-179.3-178.4-162.4169-160.10112.1Y78 H79 I135 V139K75-Y78 PolarHBondContact O-N 3.42Å; K75-H79 VanDerWaalsContact O-CB 3.32Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 2.84Å; K75-I135 HydrophobicContact CB-CG2 4.02Å; K75-V139 HydrophobicContact CG-CG2 3.69Å
76E98.5Very high97.4Very high107 Ų10754 Ų5450%0.528%0.279SS..Hα-helixtrans-68.1-40.4-176.5-59.9-52.7135.700111.1N74 Y78 H79 T80N74-E76 PolarHBondContact O-N 2.98Å; N74-E76 PolarHBondContact OD1-N 2.95Å; E76-Y78 PolarHBondContact O-N 2.96Å; E76-H79 PolarHBondContact O-N 2.7Å; E76-T80 WeakPolarHBondContact O-CB 3.43Å; E76-T80 PolarHBondContact O-N 3.48Å; E76-T80 PolarHBondContact O-OG1 3.08Å; E76-T80 VanDerWaalsContact O-OG1 3.11Å
77L98.2Very high97Very high70 Ų7059.1 Ų59.137%0.36630%0.302SS..Hα-helixtrans-57.1-49.2172.8177.563.8000111.2L68 N72 N74 A81L68-L77 HydrophobicContact CD1-CD2 4.04Å; L68-L77 HydrophobicContact CD1-CG 4.15Å; N72-L77 HydrophobicContact CB-CD2 4.2Å; N74-L77 HydrophobicContact CB-CB 3.79Å; N74-L77 PolarHBondContact O-N 3.05Å; N74-L77 PolarHBondContact OD1-N 3.36Å; L77-A81 WeakPolarHBondContact O-CB 3.28Å; L77-A81 PolarHBondContact O-N 3.41Å
78Y98.5Very high96.3Very high0 Ų061.9 Ų61.90%031%0.31CS..Hα-helixtrans-64.5-42.1179.4-63.3-10.2000111.7L68 L70 N72 V73 N74 K75 E76 A81 L82 S132 I135 F136L68-Y78 HydrophobicContact CD2-CD1 3.9Å; L68-Y78 HydrophobicContact CD2-CE1 4.26Å; L70-Y78 HydrophobicContact CD2-CE1 4.04Å; L70-Y78 PolarHBondContact O-OH 2.59Å; N72-Y78 WeakPolarHBondContact O-CE1 3.26Å; N72-Y78 PolarHBondContact O-OH 3.42Å; V73-Y78 WeakPolarHBondContact CA-OH 3.4Å; N74-Y78 WeakPolarHBondContact O-CD1 3.46Å; N74-Y78 VanDerWaalsContact O-CG 3.28Å; N74-Y78 PolarHBondContact O-N 3.49Å; K75-Y78 PolarHBondContact O-N 3.42Å; E76-Y78 PolarHBondContact O-N 2.96Å; Y78-A81 PolarHBondContact O-N 2.94Å; Y78-L82 WeakPolarHBondContact O-CB 3.35Å; Y78-L82 PolarHBondContact O-N 2.63Å; Y78-S132 WeakPolarHBondContact OH-CB 3.21Å; Y78-I135 HydrophobicContact CD2-CB 4.49Å; Y78-I135 HydrophobicContact CD2-CG2 3.94Å; Y78-I135 HydrophobicContact CE2-CB 4.32Å; Y78-I135 HydrophobicContact CE2-CG2 4.15Å; Y78-F136 HydrophobicContact CD1-CD2 4.39Å; Y78-F136 HydrophobicContact CD2-CB 4.03Å; Y78-F136 AromaticContact CD2-CD2 3.78Å; Y78-F136 HydrophobicContact CD2-CD2 3.78Å; Y78-F136 HydrophobicContact CD2-CG 4.41Å; Y78-F136 HydrophobicContact CE2-CB 4.15Å; Y78-F136 HydrophobicContact CE2-CD2 4.27Å; Y78-F136 AromaticContact CG-CD2 3.84Å; Y78-F136 HydrophobicContact CG-CD2 3.84Å
79H98.3Very high95.4Very high67 Ų6761.9 Ų61.931%0.3131%0.311SS..Hα-helixtrans-62.6-51.7179.1178.8-82.1000111K75 E76 A81 L82 N83 V139 L143K75-H79 VanDerWaalsContact O-CB 3.32Å; K75-H79 WeakPolarHBondContact O-CB 3.33Å; K75-H79 PolarHBondContact O-N 2.84Å; E76-H79 PolarHBondContact O-N 2.7Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 2.84Å; H79-L82 PolarHBondContact O-N 3.07Å; H79-N83 WeakPolarHBondContact O-CB 3.48Å; H79-N83 PolarHBondContact O-N 2.82Å; H79-V139 VanDerWaalsContact CA-CG1 3.49Å; H79-V139 HydrophobicContact CB-CG1 3.9Å; H79-L143 WeakPolarHBondContact NE2-CD2 3.37Å
80T98Very high94Very high93 Ų9365.7 Ų65.757%0.57134%0.34SS*.Hα-helixtrans-59.4-43.9177.7-61.30000111.6E76 R84E76-T80 WeakPolarHBondContact O-CB 3.43Å; E76-T80 PolarHBondContact O-N 3.48Å; E76-T80 PolarHBondContact O-OG1 3.08Å; E76-T80 VanDerWaalsContact O-OG1 3.11Å; T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 PolarHBondContact O-N 2.77Å; T80-R84 VanDerWaalsContact O-N 3.13Å
81A97.6Very high92.8Very high19 Ų1967.4 Ų67.416%0.15735%0.351CS..Hα-helixtrans-63-48.8179.700000112.3L66 L68 L77 Y78 H79 A85L66-A81 HydrophobicContact CD1-CB 4.13Å; L66-A81 HydrophobicContact CD2-CB 4.28Å; L68-A81 HydrophobicContact CD2-CB 4.25Å; L77-A81 WeakPolarHBondContact O-CB 3.28Å; L77-A81 PolarHBondContact O-N 3.41Å; Y78-A81 PolarHBondContact O-N 2.94Å; H79-A81 VanDerWaalsContact C-N 3.32Å; H79-A81 PolarHBondContact O-N 2.84Å; A81-A85 PolarHBondContact O-N 2.88Å
82L97Very high91.8Very high0 Ų069.2 Ų69.20%037%0.368CS..Hα-helixtrans-68.6-46.5178.6-82.8172.9000112.3V11 L66 Y78 H79 R84 A85 I86 F136 V139 F140 L143V11-L82 HydrophobicContact CG1-CD2 4.33Å; V11-L82 HydrophobicContact CG2-CD2 3.99Å; L66-L82 HydrophobicContact CD2-CD2 4.22Å; Y78-L82 WeakPolarHBondContact O-CB 3.35Å; Y78-L82 PolarHBondContact O-N 2.63Å; H79-L82 PolarHBondContact O-N 3.07Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 2.8Å; L82-A85 PolarHBondContact O-N 2.84Å; L82-A85 VanDerWaalsContact O-N 3.11Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.04Å; L82-I86 PolarHBondContact O-N 2.87Å; L82-F136 HydrophobicContact CD1-CD2 4.35Å; L82-F136 HydrophobicContact CD1-CE1 4.13Å; L82-F136 HydrophobicContact CD1-CE2 3.72Å; L82-F136 HydrophobicContact CD1-CZ 3.6Å; L82-F136 HydrophobicContact CD2-CE2 4.4Å; L82-F136 HydrophobicContact CD2-CZ 3.79Å; L82-F136 HydrophobicContact CG-CE2 4.01Å; L82-F136 HydrophobicContact CG-CZ 3.87Å; L82-V139 HydrophobicContact CD1-CG1 3.92Å; L82-F140 HydrophobicContact CD1-CB 4.27Å; L82-L143 HydrophobicContact CB-CD1 3.65Å; L82-L143 HydrophobicContact CD1-CD1 4.48Å
83N95.7Very high91.5Very high47 Ų4772.8 Ų72.825%0.25138%0.375SS..Hα-helixtrans-58.2-44.8-178.3-171.363.5000110.9H79 A85 I86 E87 L143H79-N83 WeakPolarHBondContact O-CB 3.48Å; H79-N83 PolarHBondContact O-N 2.82Å; N83-A85 PolarHBondContact O-N 2.81Å; N83-I86 PolarHBondContact O-N 2.79Å; N83-E87 VanDerWaalsContact ND2-CD 3.29Å; N83-E87 PolarHBondContact ND2-OE1 2.95Å; N83-E87 WeakPolarHBondContact O-CB 3.21Å; N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.47Å; N83-L143 HydrophobicContact CB-CD1 4.32Å; N83-L143 HydrophobicContact CB-CD2 4.1Å
84R95.1Very high91.4Very high170 Ų17070.9 Ų70.964%0.64236%0.362SS*.Hα-helixtrans-58.3-48.1174.6179.1-179.2169.6175.41.8112.2T80 L82 I86 E87 E88T80-R84 WeakPolarHBondContact O-CB 3.42Å; T80-R84 PolarHBondContact O-N 2.77Å; T80-R84 VanDerWaalsContact O-N 3.13Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 2.8Å; R84-I86 VanDerWaalsContact C-N 3.26Å; R84-I86 PolarHBondContact O-N 2.76Å; R84-E87 PolarHBondContact O-N 2.95Å; R84-E88 IonicContact NE-OE1 2.67Å; R84-E88 WeakPolarHBondContact O-CG 3.38Å; R84-E88 PolarHBondContact O-N 3.44Å
85A94.4Very high91.4Very high5 Ų569.9 Ų69.94%0.04136%0.357CS..Hα-helixtrans-64.6-30.6-179.900000112.6I38 A81 L82 N83I38-A85 HydrophobicContact CD1-CB 3.81Å; I38-A85 HydrophobicContact CG1-CB 4.35Å; I38-A85 HydrophobicContact CG2-CB 4.2Å; A81-A85 PolarHBondContact O-N 2.88Å; L82-A85 PolarHBondContact O-N 2.84Å; L82-A85 VanDerWaalsContact O-N 3.11Å; N83-A85 PolarHBondContact O-N 2.81Å
86I94Very high91.3Very high11 Ų1164.1 Ų64.16%0.05633%0.332CS..Hα-helixtrans-76.2-41.8176.5-66.8169.1000111.3L9 I38 L82 N83 R84 E88 T89 L143 F148L9-I86 HydrophobicContact CD1-CG1 4.39Å; L9-I86 HydrophobicContact CD2-CD1 3.85Å; L9-I86 HydrophobicContact CD2-CG1 3.79Å; L9-I86 HydrophobicContact CD2-CG2 4.29Å; I38-I86 HydrophobicContact CD1-CG1 3.92Å; L82-I86 VanDerWaalsContact O-CG1 3.28Å; L82-I86 WeakPolarHBondContact O-CG1 3.04Å; L82-I86 PolarHBondContact O-N 2.87Å; N83-I86 PolarHBondContact O-N 2.79Å; R84-I86 VanDerWaalsContact C-N 3.26Å; R84-I86 PolarHBondContact O-N 2.76Å; I86-E88 VanDerWaalsContact C-N 3.25Å; I86-E88 PolarHBondContact O-N 3.44Å; I86-T89 WeakPolarHBondContact O-CB 3.39Å; I86-T89 VanDerWaalsContact O-CG2 3.26Å; I86-T89 WeakPolarHBondContact O-CG2 3.45Å; I86-T89 PolarHBondContact O-N 2.97Å; I86-T89 VanDerWaalsContact O-N 3.08Å; I86-T89 PolarHBondContact O-OG1 2.91Å; I86-L143 HydrophobicContact CD1-CB 4.32Å; I86-L143 HydrophobicContact CD1-CD1 4.34Å; I86-F148 HydrophobicContact CG2-CE2 3.85Å; I86-F148 HydrophobicContact CG2-CZ 3.68Å
87E90.4Very high91.3Very high128 Ų12859 Ų5960%0.59831%0.308SS*.Hα-helixtrans-62.3-32.3178.9-77175.3174.300112.5N83 R84 T89 C90N83-E87 VanDerWaalsContact ND2-CD 3.29Å; N83-E87 PolarHBondContact ND2-OE1 2.95Å; N83-E87 WeakPolarHBondContact O-CB 3.21Å; N83-E87 WeakPolarHBondContact O-CG 3.38Å; N83-E87 PolarHBondContact O-N 3.47Å; R84-E87 PolarHBondContact O-N 2.95Å; E87-T89 PolarHBondContact O-N 3.47Å; E87-C90 PolarHBondContact O-N 3.13Å
88E83.3Confident91.3Very high114 Ų11455.8 Ų55.853%0.53329%0.292SS..THydrogen-bonded Turntrans-59.2-17.1174.4-74.6175.8-169.700113.5R84 I86 C90R84-E88 IonicContact NE-OE1 2.67Å; R84-E88 WeakPolarHBondContact O-CG 3.38Å; R84-E88 PolarHBondContact O-N 3.44Å; I86-E88 VanDerWaalsContact C-N 3.25Å; I86-E88 PolarHBondContact O-N 3.44Å; E88-C90 VanDerWaalsContact C-N 3.29Å; E88-C90 PolarHBondContact O-N 3.33Å
89T79.9Confident91.4Very high20 Ų2055.8 Ų55.812%0.12329%0.292CS..THydrogen-bonded Turntrans-74.4-15.617970.40000114.2H36 I86 E87 T91 F94H36-T89 HydrophobicContact CB-CG2 3.62Å; H36-T89 WeakPolarHBondContact CD2-CG2 3.25Å; I86-T89 WeakPolarHBondContact O-CB 3.39Å; I86-T89 VanDerWaalsContact O-CG2 3.26Å; I86-T89 WeakPolarHBondContact O-CG2 3.45Å; I86-T89 PolarHBondContact O-N 2.97Å; I86-T89 VanDerWaalsContact O-N 3.08Å; I86-T89 PolarHBondContact O-OG1 2.91Å; E87-T89 PolarHBondContact O-N 3.47Å; T89-T91 PolarHBondContact O-N 3.5Å; T89-T91 PolarHBondContact OG1-N 2.86Å; T89-F94 HydrophobicContact CG2-CZ 4.44Å
90C69.1Low91.4Very high125 Ų12552.6 Ų52.685%0.84528%0.277SS*.  trans53.321.4-174.6-63.60000114.5E87 E88E87-C90 PolarHBondContact O-N 3.13Å; E88-C90 VanDerWaalsContact C-N 3.29Å; E88-C90 PolarHBondContact O-N 3.33Å
91T73.9Confident91.4Very high45 Ų4548.3 Ų48.328%0.27625%0.25SS..  trans-125.4134.6178.969.20000112.4K7 T89 F94K7-T91 PolarHBondContact NZ-OG1 3.03Å; K7-T91 VanDerWaalsContact NZ-OG1 3.09Å; T89-T91 PolarHBondContact O-N 3.5Å; T89-T91 PolarHBondContact OG1-N 2.86Å; T91-F94 WeakPolarHBondContact OG1-CE2 3.22Å; T91-F94 VanDerWaalsContact OG1-CZ 3.26Å; T91-F94 WeakPolarHBondContact OG1-CZ 3.31Å
92A74.4Confident91.5Very high84 Ų8448.5 Ų48.569%0.69425%0.248SC*.SBendtrans-83-16.8-174.800000114.5
93R91.7Very high91.5Very high173 Ų17349.5 Ų49.565%0.65326%0.257SS*.  trans-148.9144.9-173.2-66.2-169.4179.5-177.6-1.3113.5K7 F148K7-R93 PolarHBondContact NZ-O 3.18Å; R93-F148 WeakPolarHBondContact CA-O 3.13Å
94F95.9Very high91.7Very high7 Ų748.4 Ų48.43%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-123.2160.5171.8-70.6-92.8000109.9K7 L9 H36 T89 T91 F148 A149K7-F94 HydrophobicContact CD-CD1 4.17Å; K7-F94 HydrophobicContact CG-CD1 3.85Å; K7-F94 HydrophobicContact CG-CE1 4.27Å; L9-F94 HydrophobicContact CB-CB 4.47Å; L9-F94 HydrophobicContact CB-CD1 3.99Å; L9-F94 HydrophobicContact CB-CD2 3.85Å; L9-F94 HydrophobicContact CB-CE1 4.14Å; L9-F94 HydrophobicContact CB-CE2 4Å; L9-F94 HydrophobicContact CB-CG 3.83Å; L9-F94 HydrophobicContact CB-CZ 4.14Å; L9-F94 HydrophobicContact CD1-CZ 4.41Å; L9-F94 VanDerWaalsContact N-CD1 3.26Å; H36-F94 HydrophobicContact CB-CE1 4.21Å; H36-F94 HydrophobicContact CB-CZ 4.08Å; T89-F94 HydrophobicContact CG2-CZ 4.44Å; T91-F94 WeakPolarHBondContact OG1-CE2 3.22Å; T91-F94 VanDerWaalsContact OG1-CZ 3.26Å; T91-F94 WeakPolarHBondContact OG1-CZ 3.31Å; F94-F148 HydrophobicContact CD2-CD1 4.45Å; F94-F148 AromaticContact CD2-CE1 3.49Å; F94-F148 HydrophobicContact CD2-CE1 3.49Å; F94-F148 VanDerWaalsContact CD2-CE1 3.49Å; F94-F148 AromaticContact CD2-CZ 3.55Å; F94-F148 HydrophobicContact CD2-CZ 3.55Å; F94-F148 HydrophobicContact CE2-CE1 4.12Å; F94-F148 AromaticContact CE2-CZ 3.76Å; F94-F148 HydrophobicContact CE2-CZ 3.76Å; F94-F148 HydrophobicContact CG-CE1 4.38Å; F94-F148 PolarHBondContact N-O 3.32Å; F94-A149 HydrophobicContact CB-CB 4.45Å; F94-A149 WeakPolarHBondContact O-CA 3.37Å
95D96.8Very high91.8Very high60 Ų6042.6 Ų42.632%0.32124%0.238SC..EExtended strand (participates in β ladder)trans-82.4-29.9170.9-64.8-53.9000110.8K6 K7 K150 E151K6-D95 HydrophobicContact CB-CB 4.02Å; K7-D95 WeakPolarHBondContact CB-OD2 3.22Å; K7-D95 PolarHBondContact N-OD2 3.25Å; K7-D95 PolarHBondContact O-N 2.9Å; D95-K150 IonicContact OD1-NZ 3.76Å; D95-E151 PolarHBondContact O-N 3.13Å
96L97.8Very high92Very high1 Ų142.4 Ų42.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-135.8133.1-179.5175.161.9000111.4L3 K6 K7 T8 L9 L98 E151 V153L3-L96 HydrophobicContact CB-CD2 4.22Å; L3-L96 HydrophobicContact CD2-CD1 4.41Å; L3-L96 WeakPolarHBondContact O-CD2 3.49Å; K6-L96 HydrophobicContact CB-CB 4.31Å; K6-L96 HydrophobicContact CD-CB 4.47Å; K7-L96 PolarHBondContact O-N 3.19Å; T8-L96 CarbonylContact C-O 3.42Å; T8-L96 VanDerWaalsContact CA-O 3.26Å; T8-L96 WeakPolarHBondContact CA-O 3.41Å; T8-L96 HydrophobicContact CG2-CB 4.1Å; T8-L96 HydrophobicContact CG2-CD2 3.88Å; T8-L96 HydrophobicContact CG2-CG 3.88Å; L9-L96 PolarHBondContact N-O 3.43Å; L96-L98 HydrophobicContact CD2-CB 4.38Å; L96-L98 HydrophobicContact CG-CB 4.28Å; L96-E151 CarbonylContact C-O 3.54Å; L96-E151 VanDerWaalsContact CA-O 3.31Å; L96-E151 WeakPolarHBondContact CA-O 3.45Å; L96-E151 HydrophobicContact CD1-CB 3.92Å; L96-V153 HydrophobicContact CD1-CB 4.23Å; L96-V153 HydrophobicContact CD1-CG2 3.6Å
97A97.9Very high92.1Very high0 Ų043 Ų430%025%0.245CC..EExtended strand (participates in β ladder)trans-104.9122.3160.500000109.2L9 F140 C144 A149 E151 R152 V153L9-A97 CarbonylContact O-C 3.56Å; L9-A97 WeakPolarHBondContact O-CA 3.48Å; A97-F140 HydrophobicContact CB-CE1 4.09Å; A97-F140 HydrophobicContact CB-CZ 3.96Å; A97-C144 HydrophobicContact CB-CB 3.75Å; A97-A149 HydrophobicContact CB-CB 3.62Å; A97-E151 PolarHBondContact N-O 3.22Å; A97-R152 HydrophobicContact CB-CG 4.31Å; A97-R152 CarbonylContact O-C 3.53Å; A97-R152 WeakPolarHBondContact O-CA 3.27Å; A97-V153 PolarHBondContact O-N 2.95Å
98L98.6Very high92.4Very high3 Ų337.6 Ų37.62%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-124.7115.1-174.8175.659.8000110.4T8 L9 C10 V11 L27 L96 I100 V153 V155 L247T8-L98 HydrophobicContact CG2-CB 3.99Å; L9-L98 PolarHBondContact O-N 3.39Å; C10-L98 CarbonylContact C-O 3.53Å; C10-L98 VanDerWaalsContact CA-O 3.25Å; C10-L98 WeakPolarHBondContact CA-O 3.46Å; C10-L98 HydrophobicContact CB-CB 4.42Å; V11-L98 PolarHBondContact N-O 2.99Å; L27-L98 HydrophobicContact CD2-CD2 4Å; L96-L98 HydrophobicContact CD2-CB 4.38Å; L96-L98 HydrophobicContact CG-CB 4.28Å; L98-I100 HydrophobicContact CD1-CG1 4.14Å; L98-I100 HydrophobicContact CD2-CD1 4.09Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CD1 4.23Å; L98-I100 HydrophobicContact CG-CG1 4.03Å; L98-V153 WeakPolarHBondContact CA-O 3.34Å; L98-V153 HydrophobicContact CD1-CB 3.76Å; L98-V153 HydrophobicContact CD1-CG1 3.67Å; L98-V155 HydrophobicContact CD1-CG2 3.95Å; L98-L247 HydrophobicContact CD2-CD1 4.14Å
99L98.9Very high93Very high0 Ų032.2 Ų32.20%020%0.196CC..EExtended strand (participates in β ladder)trans-105.6117.1173.9176.162.4000110.1V11 Q101 F136 N137 F140 F141 V153 V155V11-L99 HydrophobicContact CB-CD1 3.92Å; V11-L99 HydrophobicContact CG1-CD1 3.97Å; L99-Q101 HydrophobicContact CD1-CG 4.05Å; L99-Q101 HydrophobicContact CD2-CG 3.79Å; L99-Q101 HydrophobicContact CG-CG 3.66Å; L99-F136 HydrophobicContact CD1-CD1 4.07Å; L99-F136 HydrophobicContact CD1-CE1 3.75Å; L99-N137 HydrophobicContact CD2-CB 4.42Å; L99-F140 HydrophobicContact CB-CD1 3.66Å; L99-F140 HydrophobicContact CB-CE1 3.67Å; L99-F140 HydrophobicContact CB-CG 4.18Å; L99-F140 HydrophobicContact CB-CZ 4.21Å; L99-F140 HydrophobicContact CD1-CG 4.32Å; L99-F140 HydrophobicContact CD2-CB 4.01Å; L99-F140 HydrophobicContact CD2-CD1 4.02Å; L99-F140 HydrophobicContact CD2-CG 4.11Å; L99-F140 HydrophobicContact CG-CD1 4.3Å; L99-F140 HydrophobicContact CG-CG 4.43Å; L99-F141 HydrophobicContact CB-CE2 4.46Å; L99-F141 HydrophobicContact CB-CZ 4.23Å; L99-F141 HydrophobicContact CD2-CE2 4.18Å; L99-V153 PolarHBondContact N-O 3.12Å; L99-V155 PolarHBondContact O-N 3.36Å
100I98.9Very high93.8Very high0 Ų035.8 Ų35.80%021%0.214CC..EExtended strand (participates in β ladder)trans-108.199.3175.1-56.1172.9000109.1V11 I12 T13 I23 L27 L98 N102 V155 I157 F243V11-I100 PolarHBondContact O-N 3.45Å; I12-I100 HydrophobicContact CD1-CD1 4.38Å; I12-I100 HydrophobicContact CG1-CB 4.27Å; I12-I100 HydrophobicContact CG1-CD1 4.13Å; I12-I100 HydrophobicContact CG2-CB 4.38Å; I12-I100 HydrophobicContact CG2-CG2 4.39Å; T13-I100 PolarHBondContact N-O 3.3Å; I23-I100 HydrophobicContact CG2-CD1 3.93Å; L27-I100 HydrophobicContact CD2-CD1 3.82Å; L98-I100 HydrophobicContact CD1-CG1 4.14Å; L98-I100 HydrophobicContact CD2-CD1 4.09Å; L98-I100 HydrophobicContact CD2-CG1 4.43Å; L98-I100 HydrophobicContact CG-CD1 4.23Å; L98-I100 HydrophobicContact CG-CG1 4.03Å; I100-N102 HydrophobicContact CG2-CB 4.45Å; I100-N102 PolarHBondContact O-N 3.11Å; I100-V155 HydrophobicContact CG1-CB 4.23Å; I100-V155 HydrophobicContact CG1-CG2 4.38Å; I100-V155 HydrophobicContact CG2-CG1 4.38Å; I100-I157 HydrophobicContact CG2-CD1 4.2Å; I100-I157 HydrophobicContact CG2-CG1 4.25Å; I100-F243 HydrophobicContact CD1-CE1 3.57Å; I100-F243 HydrophobicContact CD1-CZ 3.6Å; I100-F243 HydrophobicContact CG1-CZ 4.05Å
101Q98.8Very high95.1Very high3 Ų332.1 Ų32.11%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-87.192.1178.2-60-144.269.800110.6T13 L99 F133 V155 I157 R179 Y183T13-Q101 WeakPolarHBondContact OG1-CA 3.47Å; L99-Q101 HydrophobicContact CD1-CG 4.05Å; L99-Q101 HydrophobicContact CD2-CG 3.79Å; L99-Q101 HydrophobicContact CG-CG 3.66Å; Q101-F133 HydrophobicContact CB-CD2 3.68Å; Q101-F133 HydrophobicContact CB-CE2 3.64Å; Q101-F133 HydrophobicContact CG-CD2 4Å; Q101-F133 HydrophobicContact CG-CE2 4.02Å; Q101-F133 PolarHBondContact NE2-O 3.38Å; Q101-F133 PolarHBondContact OE1-O 3.24Å; Q101-V155 WeakPolarHBondContact CB-O 3.34Å; Q101-V155 PolarHBondContact N-O 3.15Å; Q101-I157 PolarHBondContact O-N 2.8Å; Q101-R179 PolarHBondContact O-NH2 3.25Å; Q101-Y183 PolarHBondContact NE2-OH 2.97Å
102N98.8Very high96.1Very high22 Ų2232.1 Ų32.112%0.11819%0.187CC..  trans-108.1-27.3-177.8159.685.9000113.7T13 G14 G20 I100 A104 I157T13-N102 WeakPolarHBondContact O-CB 3.44Å; T13-N102 PolarHBondContact O-ND2 2.86Å; T13-N102 PolarHBondContact OG1-N 3.2Å; G14-N102 PolarHBondContact O-ND2 2.94Å; G20-N102 WeakPolarHBondContact CA-ND2 3.5Å; I100-N102 HydrophobicContact CG2-CB 4.45Å; I100-N102 PolarHBondContact O-N 3.11Å; N102-A104 PolarHBondContact O-N 3.01Å; N102-I157 HydrophobicContact CB-CB 4.2Å; N102-I157 HydrophobicContact CB-CG1 3.59Å
103A98.4Very high97.1Very high21 Ų2131.2 Ų31.217%0.17418%0.179CC..  trans-55.6126.7179.200000111.7T13 L70T13-A103 PolarHBondContact O-N 3.42Å; T13-A103 WeakPolarHBondContact OG1-CB 3.49Å; T13-A103 PolarHBondContact OG1-N 3.32Å; L70-A103 HydrophobicContact CD1-CB 3.89Å
104A98.3Very high97.4Very high24 Ų2431.1 Ų31.120%0.19819%0.19CC..  trans-162.3163176.500000110.4N102 N129 M207N102-A104 PolarHBondContact O-N 3.01Å; A104-N129 VanDerWaalsContact CA-OD1 3.23Å; A104-N129 WeakPolarHBondContact CA-OD1 3.44Å; A104-N129 WeakPolarHBondContact CB-OD1 3.47Å; A104-M207 WeakPolarHBondContact O-CE 3.45Å
105T98.2Very high97.4Very high48 Ų4836 Ų3629%0.29421%0.213SC..  trans-122.3156.6168.356.20000110.2L128 N129 Y172T105-L128 HydrophobicContact CG2-CD2 3.54Å; T105-N129 PolarHBondContact N-OD1 3.3Å; T105-N129 PolarHBondContact O-OD1 3.05Å; T105-N129 PolarHBondContact OG1-ND2 2.89Å; T105-Y172 WeakPolarHBondContact O-CD2 3.5Å
106V97.6Very high97.3Very high2 Ų235 Ų351%0.01221%0.208CC..  trans-77.1-24.6176.274.70000112.6I109 Y172 M207 E210 I211V106-I109 HydrophobicContact CG1-CD1 4.12Å; V106-I109 HydrophobicContact CG1-CG1 4.45Å; V106-I109 HydrophobicContact CG1-CG2 4.29Å; V106-I109 HydrophobicContact CG2-CD1 4.34Å; V106-I109 HydrophobicContact CG2-CG2 3.69Å; V106-Y172 HydrophobicContact CB-CD2 4.48Å; V106-Y172 HydrophobicContact CG2-CD2 4.23Å; V106-Y172 HydrophobicContact CG2-CG 4.36Å; V106-M207 HydrophobicContact CB-CG 4.29Å; V106-E210 HydrophobicContact CG1-CG 4.11Å; V106-I211 HydrophobicContact CG2-CD1 4.03Å; V106-I211 HydrophobicContact CG2-CG1 3.73Å
107G96.5Very high97.3Very high23 Ų2340.3 Ų40.324%0.23724%0.241CC..  trans79.1-168.1-178.100000113.6I109G107-I109 PolarHBondContact O-N 3.44Å
108P96Very high97.3Very high14 Ų1444.5 Ų44.59%0.09126%0.263CS..  trans-75.880.4-17537-43.3000112.4D110 L111 L116 L121 H170 L171P108-D110 VanDerWaalsContact C-N 3.31Å; P108-L111 HydrophobicContact CB-CD1 4.32Å; P108-L116 HydrophobicContact CB-CD2 4.18Å; P108-L116 HydrophobicContact CG-CD2 3.55Å; P108-L121 HydrophobicContact CB-CD1 4.36Å; P108-L121 HydrophobicContact CB-CD2 3.78Å; P108-L121 HydrophobicContact CG-CD2 3.39Å; P108-H170 PolarHBondContact O-CE1 3.36Å; P108-L171 HydrophobicContact CG-CD1 3.71Å; P108-L171 HydrophobicContact CG-CG 4.32Å
109I97.2Very high97.2Very high2 Ų248.4 Ų48.41%0.0129%0.287CS..THydrogen-bonded Turntrans-86.9-0.8-179.762.3171.1000113.5V106 G107 L111 S168 I211 K214 T215 H216V106-I109 HydrophobicContact CG1-CD1 4.12Å; V106-I109 HydrophobicContact CG1-CG1 4.45Å; V106-I109 HydrophobicContact CG1-CG2 4.29Å; V106-I109 HydrophobicContact CG2-CD1 4.34Å; V106-I109 HydrophobicContact CG2-CG2 3.69Å; G107-I109 PolarHBondContact O-N 3.44Å; I109-L111 VanDerWaalsContact C-N 3.32Å; I109-S168 WeakPolarHBondContact CG2-O 3.28Å; I109-S168 PolarHBondContact O-OG 3.37Å; I109-I211 VanDerWaalsContact CD1-CA 3.47Å; I109-I211 HydrophobicContact CD1-CB 4.3Å; I109-I211 HydrophobicContact CD1-CG1 4.09Å; I109-K214 CarbonylContact C-O 3.59Å; I109-K214 HydrophobicContact CD1-CB 3.98Å; I109-K214 HydrophobicContact CG1-CB 3.82Å; I109-T215 CarbonylContact O-C 3.59Å; I109-T215 WeakPolarHBondContact O-CA 3.32Å; I109-H216 PolarHBondContact O-CD2 3.01Å; I109-H216 VanDerWaalsContact O-CD2 3.3Å; I109-H216 PolarHBondContact O-N 3.25Å
110D97Very high97.2Very high95 Ų9553.1 Ų53.151%0.50831%0.312SS..THydrogen-bonded Turntrans-84.6-10174.158.4-34.8000112.8P108 K214P108-D110 VanDerWaalsContact C-N 3.31Å; D110-K214 WeakPolarHBondContact CA-O 3.48Å; D110-K214 WeakPolarHBondContact CB-O 3.44Å; D110-K214 PolarHBondContact N-O 3.32Å
111L95.5Very high97.1Very high48 Ų4856.1 Ų56.125%0.25133%0.328SS..SBendtrans-105.9130.9-178-61.5178.3000112.3P108 I109 Q115 L116 H170 H216P108-L111 HydrophobicContact CB-CD1 4.32Å; I109-L111 VanDerWaalsContact C-N 3.32Å; L111-Q115 HydrophobicContact CB-CB 4.43Å; L111-L116 HydrophobicContact CB-CD2 4.11Å; L111-L116 HydrophobicContact CD1-CD2 4.24Å; L111-H170 PolarHBondContact O-CE1 3.3Å; L111-H170 VanDerWaalsContact O-CE1 3.23Å; L111-H170 PolarHBondContact O-NE2 2.93Å; L111-H216 PolarHBondContact O-CD2 3.5Å; L111-H216 PolarHBondContact O-NE2 2.86Å
112P95.6Very high97.1Very high45 Ų4557.7 Ų57.729%0.29234%0.337SS..  trans-57.7153.7164.1-2434.4000112.2L114 Q115P112-L114 VanDerWaalsContact C-N 3.28Å; P112-L114 PolarHBondContact O-N 3.44Å; P112-Q115 HydrophobicContact CB-CG 4.42Å; P112-Q115 WeakPolarHBondContact O-CB 3.35Å; P112-Q115 PolarHBondContact O-N 2.89Å
113A95.1Very high97.1Very high65 Ų6564 Ų6454%0.53736%0.359SS..G310 helixtrans-55-41-175.500000113.4Q115 L116A113-Q115 PolarHBondContact O-N 3.33Å; A113-L116 PolarHBondContact O-N 3.13Å
114L96.7Very high97Very high170 Ų17068 Ų6889%0.8938%0.378SS*.G310 helixtrans-67.9-12.1178.4-68.9177.2000114.1P112P112-L114 VanDerWaalsContact C-N 3.28Å; P112-L114 PolarHBondContact O-N 3.44Å
115Q97Very high97.1Very high110 Ų11067.3 Ų67.351%0.51437%0.371SS..G310 helixtrans-100-0.5179.4-60.8-175.812.700112.9L111 P112 A113 T117L111-Q115 HydrophobicContact CB-CB 4.43Å; P112-Q115 HydrophobicContact CB-CG 4.42Å; P112-Q115 WeakPolarHBondContact O-CB 3.35Å; P112-Q115 PolarHBondContact O-N 2.89Å; A113-Q115 PolarHBondContact O-N 3.33Å; Q115-T117 PolarHBondContact O-N 3.4Å
116L95Very high97.1Very high38 Ų3868.2 Ų68.220%0.19937%0.37CS..  trans-76.765.1174.1-66.1174.4000111.3P108 L111 A113 H170 L171P108-L116 HydrophobicContact CB-CD2 4.18Å; P108-L116 HydrophobicContact CG-CD2 3.55Å; L111-L116 HydrophobicContact CB-CD2 4.11Å; L111-L116 HydrophobicContact CD1-CD2 4.24Å; A113-L116 PolarHBondContact O-N 3.13Å; L116-H170 HydrophobicContact CD1-CB 4.47Å; L116-L171 HydrophobicContact CD1-CD2 4.18Å; L116-L171 HydrophobicContact CD1-CG 4.11Å
117T96.8Very high97.1Very high114 Ų11471 Ų7170%0.69939%0.385SS*.  trans-104.3-8.6-175.360.30000113.5Q115 V119Q115-T117 PolarHBondContact O-N 3.4Å; T117-V119 PolarHBondContact O-N 3.42Å
118N97.8Very high97.2Very high87 Ų8771 Ų7147%0.46538%0.38SS..  trans-78110.6176.8-176.9-28.6000110.1D120 L121 V122N118-D120 PolarHBondContact OD1-N 2.93Å; N118-L121 HydrophobicContact CB-CB 3.89Å; N118-L121 PolarHBondContact OD1-N 3.49Å; N118-L121 VanDerWaalsContact OD1-N 3.07Å; N118-V122 WeakPolarHBondContact O-CG2 3.33Å; N118-V122 PolarHBondContact O-N 2.82Å
119V98.1Very high97.3Very high85 Ų8570.5 Ų70.552%0.51538%0.376SS..Hα-helixtrans-63-45.1-177175.90000112.1T117 V122 R123T117-V119 PolarHBondContact O-N 3.42Å; V119-V122 PolarHBondContact O-N 3.08Å; V119-R123 HydrophobicContact CG1-CG 4.34Å; V119-R123 WeakPolarHBondContact O-CB 3.15Å; V119-R123 WeakPolarHBondContact O-CG 3.34Å; V119-R123 PolarHBondContact O-N 3.39Å
120D98.2Very high97.4Very high100 Ų10071.2 Ų71.254%0.53538%0.381SS..Hα-helixtrans-67.7-41-176.1-61.3-32000110.4N118 V122 R123 D124N118-D120 PolarHBondContact OD1-N 2.93Å; D120-V122 VanDerWaalsContact C-N 3.31Å; D120-V122 PolarHBondContact O-N 3.21Å; D120-R123 PolarHBondContact O-N 2.95Å; D120-D124 WeakPolarHBondContact O-CB 3.32Å; D120-D124 PolarHBondContact O-N 3.22Å
121L97.3Very high97.5Very high62 Ų6269.1 Ų69.133%0.32537%0.371SS..Hα-helixtrans-58.7-43.2175.2-172.6152.5000112.2P108 N118 Y125 L171P108-L121 HydrophobicContact CB-CD1 4.36Å; P108-L121 HydrophobicContact CB-CD2 3.78Å; P108-L121 HydrophobicContact CG-CD2 3.39Å; N118-L121 HydrophobicContact CB-CB 3.89Å; N118-L121 PolarHBondContact OD1-N 3.49Å; N118-L121 VanDerWaalsContact OD1-N 3.07Å; L121-Y125 PolarHBondContact O-N 3.11Å; L121-Y125 VanDerWaalsContact O-N 3.16Å; L121-L171 HydrophobicContact CD2-CD1 4.34Å
122V97.9Very high97.7Very high36 Ų3667 Ų6722%0.21836%0.36CS..Hα-helixtrans-68.5-43.3178174.80000110.4N118 V119 D120 Y125 F126 L171N118-V122 WeakPolarHBondContact O-CG2 3.33Å; N118-V122 PolarHBondContact O-N 2.82Å; V119-V122 PolarHBondContact O-N 3.08Å; D120-V122 VanDerWaalsContact C-N 3.31Å; D120-V122 PolarHBondContact O-N 3.21Å; V122-Y125 WeakPolarHBondContact O-CB 3.32Å; V122-Y125 PolarHBondContact O-N 2.81Å; V122-F126 HydrophobicContact CG1-CD2 3.81Å; V122-F126 HydrophobicContact CG1-CE2 3.81Å; V122-F126 VanDerWaalsContact O-CD2 3.27Å; V122-F126 WeakPolarHBondContact O-CD2 3.48Å; V122-F126 PolarHBondContact O-N 3.46Å; V122-F126 VanDerWaalsContact O-N 3.1Å; V122-L171 HydrophobicContact CG1-CD2 4.42Å; V122-L171 HydrophobicContact CG2-CD1 4.15Å
123R98.1Very high97.8Very high154 Ų15464.8 Ų64.858%0.58135%0.346SS*.Hα-helixtrans-61.3-50.3177-77.2178173.9163.5-3.4111.9V119 D120 Y125 F126 D127V119-R123 HydrophobicContact CG1-CG 4.34Å; V119-R123 WeakPolarHBondContact O-CB 3.15Å; V119-R123 WeakPolarHBondContact O-CG 3.34Å; V119-R123 PolarHBondContact O-N 3.39Å; D120-R123 PolarHBondContact O-N 2.95Å; R123-Y125 PolarHBondContact O-N 2.91Å; R123-F126 CarbonylContact O-C 3.51Å; R123-F126 PolarHBondContact O-N 3.36Å; R123-D127 WeakPolarHBondContact O-CB 3.44Å; R123-D127 PolarHBondContact O-N 3.46Å
124D98.1Very high98Very high107 Ų10764 Ų6457%0.57233%0.333SS*.Hα-helixtrans-57-39.1178.2-69.7-10.5000111.6D120 L128D120-D124 WeakPolarHBondContact O-CB 3.32Å; D120-D124 PolarHBondContact O-N 3.22Å; D124-L128 PolarHBondContact O-N 3.34Å; D124-L128 VanDerWaalsContact O-N 3.11Å
125Y98.4Very high98.1Very high9 Ų958.5 Ų58.54%0.03530%0.303CS..Hα-helixtrans-60.3-50.6174177.7-88000111.6L121 V122 R123 N129 L171 Y172L121-Y125 PolarHBondContact O-N 3.11Å; L121-Y125 VanDerWaalsContact O-N 3.16Å; V122-Y125 WeakPolarHBondContact O-CB 3.32Å; V122-Y125 PolarHBondContact O-N 2.81Å; R123-Y125 PolarHBondContact O-N 2.91Å; Y125-N129 WeakPolarHBondContact CD2-ND2 3.34Å; Y125-N129 HydrophobicContact CE1-CB 4.05Å; Y125-N129 HydrophobicContact CE2-CB 4.45Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.39Å; Y125-N129 VanDerWaalsContact O-CB 3.31Å; Y125-N129 WeakPolarHBondContact O-CB 3.37Å; Y125-N129 PolarHBondContact O-N 3.24Å; Y125-N129 PolarHBondContact O-ND2 3.26Å; Y125-L171 HydrophobicContact CD1-CB 3.81Å; Y125-L171 HydrophobicContact CD1-CD1 4.22Å; Y125-L171 HydrophobicContact CD2-CB 4.25Å; Y125-L171 HydrophobicContact CE1-CB 3.9Å; Y125-L171 WeakPolarHBondContact CE1-O 3.42Å; Y125-L171 HydrophobicContact CE2-CB 4.31Å; Y125-L171 HydrophobicContact CG-CB 4.04Å; Y125-L171 HydrophobicContact CG-CD1 3.96Å; Y125-L171 PolarHBondContact OH-O 3.36Å; Y125-Y172 VanDerWaalsContact OH-CA 3.28Å; Y125-Y172 WeakPolarHBondContact OH-CA 3.04Å
126F98.7Very high98.2Very high66 Ų6653.2 Ų53.229%0.28928%0.279SS..Hα-helixtrans-68.3-35.9-179.8-83.2-72.9000112.3V122 R123 N129 V130 T131 L171 A174V122-F126 HydrophobicContact CG1-CD2 3.81Å; V122-F126 HydrophobicContact CG1-CE2 3.81Å; V122-F126 VanDerWaalsContact O-CD2 3.27Å; V122-F126 WeakPolarHBondContact O-CD2 3.48Å; V122-F126 PolarHBondContact O-N 3.46Å; V122-F126 VanDerWaalsContact O-N 3.1Å; R123-F126 CarbonylContact O-C 3.51Å; R123-F126 PolarHBondContact O-N 3.36Å; F126-N129 PolarHBondContact O-N 3.34Å; F126-V130 HydrophobicContact CD1-CB 4.14Å; F126-V130 HydrophobicContact CD1-CG2 3.67Å; F126-V130 HydrophobicContact CE1-CG2 4.18Å; F126-V130 CarbonylContact O-C 3.58Å; F126-V130 WeakPolarHBondContact O-CA 3.49Å; F126-V130 WeakPolarHBondContact O-CB 3.5Å; F126-V130 PolarHBondContact O-N 3.47Å; F126-T131 PolarHBondContact O-N 2.87Å; F126-T131 PolarHBondContact O-OG1 2.86Å; F126-L171 HydrophobicContact CE2-CD2 4.34Å; F126-A174 HydrophobicContact CZ-CB 4.12Å
127D98.4Very high98.4Very high60 Ų6051.4 Ų51.432%0.32127%0.269SS..Iπ-helixtrans-61.9-48.4177.6-78.5-17.1000111.2V73 R123 T131 S132V73-D127 HydrophobicContact CG2-CB 3.98Å; V73-D127 WeakPolarHBondContact CG2-O 3.22Å; R123-D127 WeakPolarHBondContact O-CB 3.44Å; R123-D127 PolarHBondContact O-N 3.46Å; D127-T131 PolarHBondContact OD1-OG1 2.9Å; D127-S132 VanDerWaalsContact O-CB 3.31Å; D127-S132 WeakPolarHBondContact O-CB 3.25Å; D127-S132 PolarHBondContact O-N 3.47Å
128L98.5Very high98.4Very high25 Ų2549.4 Ų49.413%0.13125%0.254CS..Iπ-helixtrans-69-48175.4176.861.5000112.5L70 T105 D124 S132L70-L128 HydrophobicContact CB-CD1 3.8Å; T105-L128 HydrophobicContact CG2-CD2 3.54Å; D124-L128 PolarHBondContact O-N 3.34Å; D124-L128 VanDerWaalsContact O-N 3.11Å; L128-S132 PolarHBondContact O-OG 2.91Å
129N98.8Very high98.5Very high2 Ų245.6 Ų45.61%0.01123%0.234CC..Iπ-helixtrans-86.8-24.8-166.5-69.7-84.7000113.8A104 T105 Y125 F126 R179A104-N129 VanDerWaalsContact CA-OD1 3.23Å; A104-N129 WeakPolarHBondContact CA-OD1 3.44Å; A104-N129 WeakPolarHBondContact CB-OD1 3.47Å; T105-N129 PolarHBondContact N-OD1 3.3Å; T105-N129 PolarHBondContact O-OD1 3.05Å; T105-N129 PolarHBondContact OG1-ND2 2.89Å; Y125-N129 WeakPolarHBondContact CD2-ND2 3.34Å; Y125-N129 HydrophobicContact CE1-CB 4.05Å; Y125-N129 HydrophobicContact CE2-CB 4.45Å; Y125-N129 WeakPolarHBondContact CE2-ND2 3.39Å; Y125-N129 VanDerWaalsContact O-CB 3.31Å; Y125-N129 WeakPolarHBondContact O-CB 3.37Å; Y125-N129 PolarHBondContact O-N 3.24Å; Y125-N129 PolarHBondContact O-ND2 3.26Å; F126-N129 PolarHBondContact O-N 3.34Å; N129-R179 VanDerWaalsContact O-CD 3.28Å; N129-R179 WeakPolarHBondContact O-CD 3.28Å; N129-R179 PolarHBondContact O-NH1 3.35Å
130V98.8Very high98.5Very high18 Ų1841.5 Ų41.511%0.10921%0.209CC..Iπ-helixtrans-123.1-57.1-173.5-176.70000111.7F126 S132 F133 I134 A178F126-V130 HydrophobicContact CD1-CB 4.14Å; F126-V130 HydrophobicContact CD1-CG2 3.67Å; F126-V130 HydrophobicContact CE1-CG2 4.18Å; F126-V130 CarbonylContact O-C 3.58Å; F126-V130 WeakPolarHBondContact O-CA 3.49Å; F126-V130 WeakPolarHBondContact O-CB 3.5Å; F126-V130 PolarHBondContact O-N 3.47Å; V130-S132 PolarHBondContact O-N 2.85Å; V130-F133 WeakPolarHBondContact O-CB 3.25Å; V130-F133 PolarHBondContact O-N 3.39Å; V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 WeakPolarHBondContact O-CG1 3.29Å; V130-I134 PolarHBondContact O-N 2.86Å; V130-I134 VanDerWaalsContact O-N 3.08Å; V130-A178 HydrophobicContact CG1-CB 4.12Å; V130-A178 HydrophobicContact CG2-CB 4.07Å
131T98.8Very high98.5Very high50 Ų5037.5 Ų37.531%0.30719%0.187SC..Iπ-helixtrans-63.1-48.4-175.6-42.90000110.6V73 F126 D127 F133 I134 I135V73-T131 HydrophobicContact CG1-CG2 3.77Å; F126-T131 PolarHBondContact O-N 2.87Å; F126-T131 PolarHBondContact O-OG1 2.86Å; D127-T131 PolarHBondContact OD1-OG1 2.9Å; T131-F133 VanDerWaalsContact C-N 3.27Å; T131-F133 PolarHBondContact O-N 2.98Å; T131-I134 PolarHBondContact O-N 2.85Å; T131-I135 HydrophobicContact CG2-CG1 4.41Å; T131-I135 WeakPolarHBondContact O-CG1 3.26Å; T131-I135 PolarHBondContact O-N 3.1Å
132S98.8Very high98.5Very high3 Ų338.1 Ų38.12%0.02120%0.202CC..Hα-helixtrans-59.4-39.317787.70000112L70 Y78 D127 L128 V130 I134 I135 F136L70-S132 WeakPolarHBondContact O-CB 3.47Å; Y78-S132 WeakPolarHBondContact OH-CB 3.21Å; D127-S132 VanDerWaalsContact O-CB 3.31Å; D127-S132 WeakPolarHBondContact O-CB 3.25Å; D127-S132 PolarHBondContact O-N 3.47Å; L128-S132 PolarHBondContact O-OG 2.91Å; V130-S132 PolarHBondContact O-N 2.85Å; S132-I134 PolarHBondContact O-N 3.04Å; S132-I135 PolarHBondContact O-N 2.78Å; S132-F136 WeakPolarHBondContact O-CB 3.35Å; S132-F136 PolarHBondContact O-N 3.26Å
133F98.8Very high98.4Very high0 Ų037.8 Ų37.80%020%0.198CC..Hα-helixtrans-61.8-43.6179.7167.3-99.2000112Q101 V130 T131 N137 N156 R179 F182 Y183Q101-F133 HydrophobicContact CB-CD2 3.68Å; Q101-F133 HydrophobicContact CB-CE2 3.64Å; Q101-F133 HydrophobicContact CG-CD2 4Å; Q101-F133 HydrophobicContact CG-CE2 4.02Å; Q101-F133 PolarHBondContact NE2-O 3.38Å; Q101-F133 PolarHBondContact OE1-O 3.24Å; V130-F133 WeakPolarHBondContact O-CB 3.25Å; V130-F133 PolarHBondContact O-N 3.39Å; T131-F133 VanDerWaalsContact C-N 3.27Å; T131-F133 PolarHBondContact O-N 2.98Å; F133-N137 VanDerWaalsContact O-CB 3.22Å; F133-N137 WeakPolarHBondContact O-CB 3.48Å; F133-N137 PolarHBondContact O-N 2.99Å; F133-N137 VanDerWaalsContact O-N 3.1Å; F133-N156 HydrophobicContact CE2-CB 3.94Å; F133-N156 HydrophobicContact CZ-CB 3.91Å; F133-R179 HydrophobicContact CD1-CB 4.2Å; F133-R179 HydrophobicContact CD1-CG 3.73Å; F133-R179 HydrophobicContact CD2-CG 4.46Å; F133-R179 VanDerWaalsContact CD2-NH1 3.27Å; F133-R179 HydrophobicContact CE1-CB 3.73Å; F133-R179 HydrophobicContact CE1-CG 3.8Å; F133-R179 VanDerWaalsContact CE2-CZ 3.46Å; F133-R179 HydrophobicContact CG-CG 4.05Å; F133-R179 HydrophobicContact CZ-CB 3.98Å; F133-R179 HydrophobicContact CZ-CG 4.24Å; F133-F182 HydrophobicContact CD1-CD1 4.12Å; F133-F182 HydrophobicContact CE1-CB 4.43Å; F133-F182 AromaticContact CE1-CD1 3.54Å; F133-F182 HydrophobicContact CE1-CD1 3.54Å; F133-F182 HydrophobicContact CE1-CE1 4.28Å; F133-F182 HydrophobicContact CE1-CG 4.36Å; F133-F182 HydrophobicContact CZ-CD1 4.42Å; F133-Y183 AromaticContact CE1-CD1 3.85Å; F133-Y183 HydrophobicContact CE1-CD1 3.85Å; F133-Y183 AromaticContact CE1-CE1 3.68Å; F133-Y183 HydrophobicContact CE1-CE1 3.68Å; F133-Y183 AromaticContact CE2-CE1 3.86Å; F133-Y183 HydrophobicContact CE2-CE1 3.86Å; F133-Y183 HydrophobicContact CE2-CE2 4.23Å; F133-Y183 AromaticContact CE2-CZ 3.63Å; F133-Y183 AromaticContact CZ-CD1 3.51Å; F133-Y183 HydrophobicContact CZ-CD1 3.51Å; F133-Y183 HydrophobicContact CZ-CD2 4.13Å; F133-Y183 AromaticContact CZ-CE1 3.15Å; F133-Y183 HydrophobicContact CZ-CE1 3.15Å; F133-Y183 AromaticContact CZ-CE2 3.88Å; F133-Y183 HydrophobicContact CZ-CE2 3.88Å; F133-Y183 AromaticContact CZ-CG 3.96Å; F133-Y183 HydrophobicContact CZ-CG 3.96Å; F133-Y183 AromaticContact CZ-CZ 3.34Å
134I98.8Very high98.3Very high48 Ų4830.5 Ų30.525%0.24617%0.171CC..Hα-helixtrans-68.4-50.8178.1-65.7169.9000110.3V130 T131 S132 N137 N138 F182V130-I134 HydrophobicContact CG1-CD1 4.06Å; V130-I134 WeakPolarHBondContact O-CG1 3.29Å; V130-I134 PolarHBondContact O-N 2.86Å; V130-I134 VanDerWaalsContact O-N 3.08Å; T131-I134 PolarHBondContact O-N 2.85Å; S132-I134 PolarHBondContact O-N 3.04Å; I134-N137 WeakPolarHBondContact O-CB 3.26Å; I134-N137 PolarHBondContact O-N 3.14Å; I134-N138 PolarHBondContact O-N 3.01Å; I134-N138 PolarHBondContact O-ND2 2.91Å; I134-F182 HydrophobicContact CB-CE2 4.35Å; I134-F182 HydrophobicContact CB-CZ 4.28Å; I134-F182 HydrophobicContact CD1-CD2 4.03Å; I134-F182 HydrophobicContact CD1-CE2 4.39Å; I134-F182 HydrophobicContact CD1-CG 4.34Å; I134-F182 HydrophobicContact CG1-CD1 4.04Å; I134-F182 HydrophobicContact CG1-CD2 3.83Å; I134-F182 HydrophobicContact CG1-CE1 4.15Å; I134-F182 HydrophobicContact CG1-CE2 3.93Å; I134-F182 HydrophobicContact CG1-CG 3.9Å; I134-F182 HydrophobicContact CG1-CZ 4.1Å; I134-F182 HydrophobicContact CG2-CD2 4.44Å; I134-F182 HydrophobicContact CG2-CE2 3.74Å; I134-F182 HydrophobicContact CG2-CZ 3.83Å
135I98.8Very high98.2Very high54 Ų5428.2 Ų28.228%0.27716%0.159SC..Hα-helixtrans-65.7-44.3-176-59.9-58.1000110.8V73 K75 Y78 T131 S132 N137 N138 V139V73-I135 HydrophobicContact CG1-CB 4.49Å; V73-I135 HydrophobicContact CG1-CG1 4.06Å; K75-I135 HydrophobicContact CB-CG2 4.02Å; Y78-I135 HydrophobicContact CD2-CB 4.49Å; Y78-I135 HydrophobicContact CD2-CG2 3.94Å; Y78-I135 HydrophobicContact CE2-CB 4.32Å; Y78-I135 HydrophobicContact CE2-CG2 4.15Å; T131-I135 HydrophobicContact CG2-CG1 4.41Å; T131-I135 WeakPolarHBondContact O-CG1 3.26Å; T131-I135 PolarHBondContact O-N 3.1Å; S132-I135 PolarHBondContact O-N 2.78Å; I135-N137 PolarHBondContact O-N 2.74Å; I135-N138 PolarHBondContact O-N 3.07Å; I135-V139 HydrophobicContact CG2-CG2 4.35Å; I135-V139 VanDerWaalsContact O-CG2 3.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 2.91Å
136F98.8Very high97.9Very high0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-65.4-38.7179.3-165-90.6000112.1V11 T13 L40 L68 L70 Y78 L82 L99 S132 N138 V139 F140V11-F136 HydrophobicContact CG1-CE1 3.93Å; V11-F136 HydrophobicContact CG1-CZ 4.07Å; T13-F136 HydrophobicContact CG2-CD1 4.36Å; T13-F136 HydrophobicContact CG2-CE1 3.94Å; T13-F136 HydrophobicContact CG2-CZ 4.44Å; L40-F136 HydrophobicContact CD1-CE1 4.25Å; L40-F136 HydrophobicContact CD1-CE2 3.57Å; L40-F136 HydrophobicContact CD1-CZ 3.29Å; L68-F136 HydrophobicContact CD2-CE2 4.45Å; L70-F136 HydrophobicContact CD2-CD2 3.78Å; L70-F136 HydrophobicContact CD2-CE2 4.07Å; L70-F136 HydrophobicContact CD2-CG 4.41Å; Y78-F136 HydrophobicContact CD1-CD2 4.39Å; Y78-F136 HydrophobicContact CD2-CB 4.03Å; Y78-F136 AromaticContact CD2-CD2 3.78Å; Y78-F136 HydrophobicContact CD2-CD2 3.78Å; Y78-F136 HydrophobicContact CD2-CG 4.41Å; Y78-F136 HydrophobicContact CE2-CB 4.15Å; Y78-F136 HydrophobicContact CE2-CD2 4.27Å; Y78-F136 AromaticContact CG-CD2 3.84Å; Y78-F136 HydrophobicContact CG-CD2 3.84Å; L82-F136 HydrophobicContact CD1-CD2 4.35Å; L82-F136 HydrophobicContact CD1-CE1 4.13Å; L82-F136 HydrophobicContact CD1-CE2 3.72Å; L82-F136 HydrophobicContact CD1-CZ 3.6Å; L82-F136 HydrophobicContact CD2-CE2 4.4Å; L82-F136 HydrophobicContact CD2-CZ 3.79Å; L82-F136 HydrophobicContact CG-CE2 4.01Å; L82-F136 HydrophobicContact CG-CZ 3.87Å; L99-F136 HydrophobicContact CD1-CD1 4.07Å; L99-F136 HydrophobicContact CD1-CE1 3.75Å; S132-F136 WeakPolarHBondContact O-CB 3.35Å; S132-F136 PolarHBondContact O-N 3.26Å; F136-N138 VanDerWaalsContact C-N 3.34Å; F136-N138 PolarHBondContact O-N 2.77Å; F136-V139 PolarHBondContact O-N 2.79Å; F136-F140 WeakPolarHBondContact O-CB 3.44Å; F136-F140 PolarHBondContact O-N 3.44Å
137N98.8Very high97.6Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-52.7-53.4171.7-17682.6000111.4L99 F133 I134 I135 F140 F141 F182 Y183 F186L99-N137 HydrophobicContact CD2-CB 4.42Å; F133-N137 VanDerWaalsContact O-CB 3.22Å; F133-N137 WeakPolarHBondContact O-CB 3.48Å; F133-N137 PolarHBondContact O-N 2.99Å; F133-N137 VanDerWaalsContact O-N 3.1Å; I134-N137 WeakPolarHBondContact O-CB 3.26Å; I134-N137 PolarHBondContact O-N 3.14Å; I135-N137 PolarHBondContact O-N 2.74Å; N137-F140 PolarHBondContact O-N 3.29Å; N137-F141 VanDerWaalsContact O-CD2 3.27Å; N137-F141 WeakPolarHBondContact O-CD2 3.09Å; N137-F141 PolarHBondContact O-N 3.38Å; N137-F141 WeakPolarHBondContact OD1-CE2 3.46Å; N137-F182 HydrophobicContact CB-CE1 4.47Å; N137-Y183 PolarHBondContact OD1-OH 3.02Å; N137-F186 WeakPolarHBondContact ND2-CE2 3.35Å; N137-F186 VanDerWaalsContact ND2-CZ 3.28Å; N137-F186 WeakPolarHBondContact ND2-CZ 3.34Å
138N98.4Very high97.4Very high72 Ų7234.8 Ų34.839%0.38519%0.188SC..Hα-helixtrans-70.1-37.7-173.7-64.6-17.5000111.7I134 I135 F136 A142I134-N138 PolarHBondContact O-N 3.01Å; I134-N138 PolarHBondContact O-ND2 2.91Å; I135-N138 PolarHBondContact O-N 3.07Å; F136-N138 VanDerWaalsContact C-N 3.34Å; F136-N138 PolarHBondContact O-N 2.77Å; N138-A142 VanDerWaalsContact O-CB 3.25Å; N138-A142 WeakPolarHBondContact O-CB 3.49Å; N138-A142 PolarHBondContact O-N 2.98Å
139V98.6Very high97.3Very high6 Ų633.7 Ų33.74%0.03618%0.182CC..Hα-helixtrans-61.2-45.8173.3170.20000111K75 H79 L82 I135 F136 A142 L143K75-V139 HydrophobicContact CG-CG2 3.69Å; H79-V139 VanDerWaalsContact CA-CG1 3.49Å; H79-V139 HydrophobicContact CB-CG1 3.9Å; L82-V139 HydrophobicContact CD1-CG1 3.92Å; I135-V139 HydrophobicContact CG2-CG2 4.35Å; I135-V139 VanDerWaalsContact O-CG2 3.32Å; I135-V139 WeakPolarHBondContact O-CG2 3.36Å; I135-V139 PolarHBondContact O-N 2.91Å; F136-V139 PolarHBondContact O-N 2.79Å; V139-A142 PolarHBondContact O-N 3.36Å; V139-L143 HydrophobicContact CG1-CD1 4.18Å; V139-L143 WeakPolarHBondContact O-CG 3.31Å; V139-L143 PolarHBondContact O-N 3Å; V139-L143 VanDerWaalsContact O-N 3.14Å
140F98.5Very high97Very high0 Ų041.4 Ų41.40%022%0.216CC..Hα-helixtrans-60.9-49.1179.5175.9-95.9000111.9L9 V11 L82 A97 L99 F136 N137 A142 L143 C144L9-F140 HydrophobicContact CD2-CE2 4.41Å; V11-F140 HydrophobicContact CB-CD2 4.38Å; V11-F140 HydrophobicContact CB-CE2 4.15Å; V11-F140 HydrophobicContact CG2-CD2 3.8Å; V11-F140 HydrophobicContact CG2-CE2 3.47Å; V11-F140 VanDerWaalsContact CG2-CE2 3.47Å; L82-F140 HydrophobicContact CD1-CB 4.27Å; A97-F140 HydrophobicContact CB-CE1 4.09Å; A97-F140 HydrophobicContact CB-CZ 3.96Å; L99-F140 HydrophobicContact CB-CD1 3.66Å; L99-F140 HydrophobicContact CB-CE1 3.67Å; L99-F140 HydrophobicContact CB-CG 4.18Å; L99-F140 HydrophobicContact CB-CZ 4.21Å; L99-F140 HydrophobicContact CD1-CG 4.32Å; L99-F140 HydrophobicContact CD2-CB 4.01Å; L99-F140 HydrophobicContact CD2-CD1 4.02Å; L99-F140 HydrophobicContact CD2-CG 4.11Å; L99-F140 HydrophobicContact CG-CD1 4.3Å; L99-F140 HydrophobicContact CG-CG 4.43Å; F136-F140 WeakPolarHBondContact O-CB 3.44Å; F136-F140 PolarHBondContact O-N 3.44Å; N137-F140 PolarHBondContact O-N 3.29Å; F140-A142 VanDerWaalsContact C-N 3.34Å; F140-A142 PolarHBondContact O-N 3.13Å; F140-L143 PolarHBondContact O-N 3.5Å; F140-C144 HydrophobicContact CE1-CB 4.21Å; F140-C144 HydrophobicContact CZ-CB 4.24Å; F140-C144 WeakPolarHBondContact O-CB 3.5Å; F140-C144 PolarHBondContact O-N 3.47Å; F140-C144 PolarHBondContact O-SG 3.33Å
141F98Very high96.9Very high15 Ų1543.7 Ų43.77%0.06623%0.225CC..Hα-helixtrans-75.7-20.2-177.8-71.9-62.9000114.1L99 N137 C144 D145 R152 A154 F186 I193L99-F141 HydrophobicContact CB-CE2 4.46Å; L99-F141 HydrophobicContact CB-CZ 4.23Å; L99-F141 HydrophobicContact CD2-CE2 4.18Å; N137-F141 VanDerWaalsContact O-CD2 3.27Å; N137-F141 WeakPolarHBondContact O-CD2 3.09Å; N137-F141 PolarHBondContact O-N 3.38Å; N137-F141 WeakPolarHBondContact OD1-CE2 3.46Å; F141-C144 CarbonylContact O-C 3.55Å; F141-D145 PolarHBondContact O-N 2.9Å; F141-R152 HydrophobicContact CD1-CB 4.3Å; F141-R152 HydrophobicContact CE1-CB 3.92Å; F141-A154 HydrophobicContact CE2-CB 3.61Å; F141-A154 HydrophobicContact CZ-CB 3.65Å; F141-F186 HydrophobicContact CD2-CE1 4.42Å; F141-F186 HydrophobicContact CD2-CZ 4.05Å; F141-F186 HydrophobicContact CE2-CE1 4.36Å; F141-F186 HydrophobicContact CE2-CZ 4.44Å; F141-I193 HydrophobicContact CB-CD1 4.14Å; F141-I193 HydrophobicContact CD1-CD1 3.79Å; F141-I193 HydrophobicContact CD1-CG1 4.46Å; F141-I193 HydrophobicContact CD2-CD1 4.19Å; F141-I193 HydrophobicContact CE1-CD1 4.25Å; F141-I193 HydrophobicContact CE1-CG2 3.95Å; F141-I193 HydrophobicContact CE2-CG2 4.3Å; F141-I193 HydrophobicContact CG-CD1 3.77Å; F141-I193 HydrophobicContact CZ-CG2 3.82Å
142A96.8Very high96.9Very high76 Ų7642.9 Ų42.963%0.62822%0.217SC*.Hα-helixtrans-69.6-37.1167.100000112.1N138 V139 F140N138-A142 VanDerWaalsContact O-CB 3.25Å; N138-A142 WeakPolarHBondContact O-CB 3.49Å; N138-A142 PolarHBondContact O-N 2.98Å; V139-A142 PolarHBondContact O-N 3.36Å; F140-A142 VanDerWaalsContact C-N 3.34Å; F140-A142 PolarHBondContact O-N 3.13Å
143L96.4Very high96.9Very high29 Ų2942.8 Ų42.815%0.15222%0.216CC..Hα-helixtrans-75.6-34.5174.5-73.2170.1000112.4H79 L82 N83 I86 V139 F140H79-L143 WeakPolarHBondContact NE2-CD2 3.37Å; L82-L143 HydrophobicContact CB-CD1 3.65Å; L82-L143 HydrophobicContact CD1-CD1 4.48Å; N83-L143 HydrophobicContact CB-CD1 4.32Å; N83-L143 HydrophobicContact CB-CD2 4.1Å; I86-L143 HydrophobicContact CD1-CB 4.32Å; I86-L143 HydrophobicContact CD1-CD1 4.34Å; V139-L143 HydrophobicContact CG1-CD1 4.18Å; V139-L143 WeakPolarHBondContact O-CG 3.31Å; V139-L143 PolarHBondContact O-N 3Å; V139-L143 VanDerWaalsContact O-N 3.14Å; F140-L143 PolarHBondContact O-N 3.5Å
144C96Very high96.9Very high0 Ų042.8 Ų42.80%022%0.216CC..SBendtrans-108.459.5-177.2-56.20000110.9L9 A97 F140 F141 F148 R152L9-C144 VanDerWaalsContact CD2-SG 3.57Å; A97-C144 HydrophobicContact CB-CB 3.75Å; F140-C144 HydrophobicContact CE1-CB 4.21Å; F140-C144 HydrophobicContact CZ-CB 4.24Å; F140-C144 WeakPolarHBondContact O-CB 3.5Å; F140-C144 PolarHBondContact O-N 3.47Å; F140-C144 PolarHBondContact O-SG 3.33Å; F141-C144 CarbonylContact O-C 3.55Å; C144-F148 HydrophobicContact CB-CD1 3.91Å; C144-F148 HydrophobicContact CB-CE1 4.43Å; C144-R152 VanDerWaalsContact O-CD 3.23Å; C144-R152 WeakPolarHBondContact O-CD 3.38Å
145D95.4Very high96.9Very high59 Ų5940.5 Ų40.532%0.31620%0.204SC..  trans-68.3-176.3177.880.9-11.7000112.4F141 H147 F148 A149F141-D145 PolarHBondContact O-N 2.9Å; D145-H147 PolarHBondContact O-N 3.45Å; D145-H147 WeakPolarHBondContact OD1-CA 3.37Å; D145-H147 WeakPolarHBondContact OD1-CB 3.4Å; D145-H147 PolarHBondContact OD1-N 3.39Å; D145-H147 IonicContact OD2-CG 2.61Å; D145-H147 IonicContact OD2-ND1 3.38Å; D145-H147 PolarHBondContact OD2-ND1 3.3Å; D145-F148 PolarHBondContact O-N 3.3Å; D145-F148 PolarHBondContact OD1-N 2.83Å; D145-A149 PolarHBondContact O-N 3.44Å
146E93.5Very high96.9Very high125 Ų12537.9 Ų37.958%0.58419%0.191SC*.THydrogen-bonded Turntrans-66.5-21.5179.561.6-174.5-169.200114.6
147H92.3Very high96.8Very high119 Ų11938.1 Ų38.155%0.55119%0.192SC*.THydrogen-bonded Turntrans-79.2-33.2174.3-59.894.7000111.3D145D145-H147 PolarHBondContact O-N 3.45Å; D145-H147 WeakPolarHBondContact OD1-CA 3.37Å; D145-H147 WeakPolarHBondContact OD1-CB 3.4Å; D145-H147 PolarHBondContact OD1-N 3.39Å; D145-H147 IonicContact OD2-CG 2.61Å; D145-H147 IonicContact OD2-ND1 3.38Å; D145-H147 PolarHBondContact OD2-ND1 3.3Å
148F94.4Very high96.8Very high30 Ų3038.2 Ų38.213%0.13219%0.193CC..THydrogen-bonded Turntrans-73-47177.1-172.8-87.3000111.9L9 I86 R93 F94 C144 D145L9-F148 HydrophobicContact CB-CE1 4.21Å; L9-F148 HydrophobicContact CD2-CE1 3.46Å; L9-F148 VanDerWaalsContact CD2-CE1 3.46Å; L9-F148 HydrophobicContact CD2-CZ 3.7Å; L9-F148 HydrophobicContact CG-CE1 4.46Å; I86-F148 HydrophobicContact CG2-CE2 3.85Å; I86-F148 HydrophobicContact CG2-CZ 3.68Å; R93-F148 WeakPolarHBondContact CA-O 3.13Å; F94-F148 HydrophobicContact CD2-CD1 4.45Å; F94-F148 AromaticContact CD2-CE1 3.49Å; F94-F148 HydrophobicContact CD2-CE1 3.49Å; F94-F148 VanDerWaalsContact CD2-CE1 3.49Å; F94-F148 AromaticContact CD2-CZ 3.55Å; F94-F148 HydrophobicContact CD2-CZ 3.55Å; F94-F148 HydrophobicContact CE2-CE1 4.12Å; F94-F148 AromaticContact CE2-CZ 3.76Å; F94-F148 HydrophobicContact CE2-CZ 3.76Å; F94-F148 HydrophobicContact CG-CE1 4.38Å; F94-F148 PolarHBondContact N-O 3.32Å; C144-F148 HydrophobicContact CB-CD1 3.91Å; C144-F148 HydrophobicContact CB-CE1 4.43Å; D145-F148 PolarHBondContact O-N 3.3Å; D145-F148 PolarHBondContact OD1-N 2.83Å
149A96Very high96.7Very high1 Ų135.8 Ų35.81%0.00818%0.181CC..EExtended strand (participates in β ladder)trans-139.7130.6178.600000112.8F94 A97 D145 E151F94-A149 HydrophobicContact CB-CB 4.45Å; F94-A149 WeakPolarHBondContact O-CA 3.37Å; A97-A149 HydrophobicContact CB-CB 3.62Å; D145-A149 PolarHBondContact O-N 3.44Å; A149-E151 PolarHBondContact O-N 3.42Å
150K92.2Very high96.5Very high164 Ų16436 Ų3671%0.71318%0.184SC*.EExtended strand (participates in β ladder)trans-64.2-41.8-178.8-65.2175.7-176.6162.20112.6D95D95-K150 IonicContact OD1-NZ 3.76Å
151E97.2Very high96.3Very high67 Ų6736 Ų3631%0.31319%0.185SC..EExtended strand (participates in β ladder)trans-112143.1175-71.6172.6-114.500109.9K6 D95 L96 A97 A149K6-E151 IonicContact NZ-OE1 2.99Å; K6-E151 PolarHBondContact NZ-OE1 2.95Å; K6-E151 IonicContact NZ-OE2 3.28Å; K6-E151 PolarHBondContact NZ-OE2 3.22Å; D95-E151 PolarHBondContact O-N 3.13Å; L96-E151 CarbonylContact C-O 3.54Å; L96-E151 VanDerWaalsContact CA-O 3.31Å; L96-E151 WeakPolarHBondContact CA-O 3.45Å; L96-E151 HydrophobicContact CD1-CB 3.92Å; A97-E151 PolarHBondContact N-O 3.22Å; A149-E151 PolarHBondContact O-N 3.42Å
152R98.2Very high96.2Very high32 Ų3236.3 Ų36.312%0.12119%0.189CC..EExtended strand (participates in β ladder)trans-134.9129.6-176.8-68.9174-66.9174.4-4.8108.5A97 F141 C144 I193 R194A97-R152 HydrophobicContact CB-CG 4.31Å; A97-R152 CarbonylContact O-C 3.53Å; A97-R152 WeakPolarHBondContact O-CA 3.27Å; F141-R152 HydrophobicContact CD1-CB 4.3Å; F141-R152 HydrophobicContact CE1-CB 3.92Å; C144-R152 VanDerWaalsContact O-CD 3.23Å; C144-R152 WeakPolarHBondContact O-CD 3.38Å; R152-I193 HydrophobicContact CB-CB 4.38Å; R152-I193 HydrophobicContact CB-CG1 3.91Å; R152-I193 HydrophobicContact CB-CG2 4.24Å; R152-I193 WeakPolarHBondContact O-CA 3.4Å; R152-R194 PolarHBondContact O-N 3.01Å
153V98.5Very high96.1Very high1 Ų138 Ų381%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-134.1125.1-176.2-179.30000110.1L3 L96 A97 L98 L99 V155 R194L3-V153 HydrophobicContact CD1-CG1 4.31Å; L3-V153 HydrophobicContact CD1-CG2 3.79Å; L3-V153 HydrophobicContact CD2-CG2 3.8Å; L3-V153 HydrophobicContact CG-CG2 4.44Å; L96-V153 HydrophobicContact CD1-CB 4.23Å; L96-V153 HydrophobicContact CD1-CG2 3.6Å; A97-V153 PolarHBondContact O-N 2.95Å; L98-V153 WeakPolarHBondContact CA-O 3.34Å; L98-V153 HydrophobicContact CD1-CB 3.76Å; L98-V153 HydrophobicContact CD1-CG1 3.67Å; L99-V153 PolarHBondContact N-O 3.12Å; V153-V155 HydrophobicContact CG1-CG2 4.01Å; V153-R194 CarbonylContact C-O 3.59Å; V153-R194 VanDerWaalsContact CA-O 3.23Å; V153-R194 WeakPolarHBondContact CA-O 3.19Å; V153-R194 HydrophobicContact CG2-CB 4.17Å
154A98.7Very high96Very high0 Ų040.9 Ų40.90%020%0.195CC..EExtended strand (participates in β ladder)trans-106.7126.5173.600000109.8F141 Y183 F186 I193 R194 V195 L196F141-A154 HydrophobicContact CE2-CB 3.61Å; F141-A154 HydrophobicContact CZ-CB 3.65Å; A154-Y183 HydrophobicContact CB-CE2 3.99Å; A154-F186 HydrophobicContact CB-CE1 4.39Å; A154-I193 HydrophobicContact CB-CG2 4.19Å; A154-R194 PolarHBondContact N-O 2.93Å; A154-V195 HydrophobicContact CB-CG2 4.39Å; A154-V195 CarbonylContact O-C 3.56Å; A154-V195 WeakPolarHBondContact O-CA 3.48Å; A154-L196 PolarHBondContact O-N 3.33Å
155V98.7Very high95.9Very high0 Ų046.9 Ų46.90%024%0.237CC..EExtended strand (participates in β ladder)trans-121.9129.8178.4-179.90000109.6L98 L99 I100 Q101 V153 I157 L196 F198 F243L98-V155 HydrophobicContact CD1-CG2 3.95Å; L99-V155 PolarHBondContact O-N 3.36Å; I100-V155 HydrophobicContact CG1-CB 4.23Å; I100-V155 HydrophobicContact CG1-CG2 4.38Å; I100-V155 HydrophobicContact CG2-CG1 4.38Å; Q101-V155 WeakPolarHBondContact CB-O 3.34Å; Q101-V155 PolarHBondContact N-O 3.15Å; V153-V155 HydrophobicContact CG1-CG2 4.01Å; V155-I157 HydrophobicContact CG1-CD1 3.97Å; V155-L196 CarbonylContact C-O 3.58Å; V155-L196 WeakPolarHBondContact CA-O 3.38Å; V155-L196 HydrophobicContact CG1-CD2 4.36Å; V155-L196 HydrophobicContact CG2-CB 4.29Å; V155-L196 HydrophobicContact CG2-CD2 4.35Å; V155-F198 HydrophobicContact CG1-CB 4.39Å; V155-F243 HydrophobicContact CG1-CE2 3.65Å; V155-F243 HydrophobicContact CG1-CZ 4.13Å; V155-F243 HydrophobicContact CG2-CE2 4.28Å; V155-F243 HydrophobicContact CG2-CZ 4.21Å
156N98.8Very high95.8Very high0 Ų046.3 Ų46.30%023%0.233CC..EExtended strand (participates in β ladder)trans-108.7119.9169.1167.836.5000107.7F133 S158 R179 D180 Y183 L196 N197 F198F133-N156 HydrophobicContact CE2-CB 3.94Å; F133-N156 HydrophobicContact CZ-CB 3.91Å; N156-S158 PolarHBondContact O-N 3.43Å; N156-S158 VanDerWaalsContact O-N 3.07Å; N156-R179 VanDerWaalsContact OD1-CZ 3.31Å; N156-R179 PolarHBondContact OD1-NE 3.43Å; N156-R179 PolarHBondContact OD1-NH2 3.2Å; N156-D180 PolarHBondContact ND2-OD1 2.86Å; N156-Y183 HydrophobicContact CB-CD2 3.44Å; N156-Y183 VanDerWaalsContact CB-CD2 3.44Å; N156-Y183 HydrophobicContact CB-CE2 3.43Å; N156-Y183 VanDerWaalsContact CB-CE2 3.43Å; N156-Y183 HydrophobicContact CB-CG 4.34Å; N156-L196 PolarHBondContact N-O 3.11Å; N156-N197 WeakPolarHBondContact CB-OD1 3.44Å; N156-N197 PolarHBondContact ND2-OD1 2.76Å; N156-F198 PolarHBondContact O-N 2.89Å
157I98.4Very high96Very high4 Ų443.4 Ų43.42%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-76.198.6167.5-54.6-52.3000107.5I19 I23 I100 Q101 N102 V155 K176 F198 P200I19-I157 HydrophobicContact CG2-CG2 4.49Å; I23-I157 HydrophobicContact CD1-CD1 4.02Å; I100-I157 HydrophobicContact CG2-CD1 4.2Å; I100-I157 HydrophobicContact CG2-CG1 4.25Å; Q101-I157 PolarHBondContact O-N 2.8Å; N102-I157 HydrophobicContact CB-CB 4.2Å; N102-I157 HydrophobicContact CB-CG1 3.59Å; V155-I157 HydrophobicContact CG1-CD1 3.97Å; I157-K176 PolarHBondContact O-NZ 3.48Å; I157-F198 CarbonylContact C-O 3.49Å; I157-F198 WeakPolarHBondContact CA-O 3.38Å; I157-F198 HydrophobicContact CD1-CB 4.31Å; I157-F198 HydrophobicContact CD1-CD1 4.05Å; I157-P200 HydrophobicContact CG2-CG 3.97Å
158S97.6Very high96.2Very high2 Ų237.9 Ų37.91%0.01420%0.2CC..  trans-88.8-158.3-177.2-164.50000111.6N156 D180 F198 P200 F257N156-S158 PolarHBondContact O-N 3.43Å; N156-S158 VanDerWaalsContact O-N 3.07Å; S158-D180 WeakPolarHBondContact CB-OD1 3.44Å; S158-D180 PolarHBondContact OG-OD1 3.43Å; S158-D180 PolarHBondContact OG-OD2 3.21Å; S158-F198 PolarHBondContact N-O 3.44Å; S158-P200 VanDerWaalsContact O-CD 3.25Å; S158-P200 WeakPolarHBondContact O-CD 3.39Å; S158-F257 WeakPolarHBondContact OG-CE2 3.43Å
159S96.5Very high96.3Very high21 Ų2136.9 Ų36.915%0.14720%0.196CC..  trans-162.1153.6-179.2-178.40000110.3A161 S162 N199S159-A161 PolarHBondContact O-N 2.73Å; S159-A161 VanDerWaalsContact O-N 3.1Å; S159-A161 WeakPolarHBondContact OG-CB 3.43Å; S159-A161 PolarHBondContact OG-N 3.03Å; S159-A161 VanDerWaalsContact OG-N 3.14Å; S159-S162 WeakPolarHBondContact O-CB 3.47Å; S159-S162 PolarHBondContact O-N 2.96Å; S159-S162 PolarHBondContact O-OG 2.81Å; S159-N199 WeakPolarHBondContact CA-OD1 3.31Å
160G94Very high96.3Very high10 Ų1039 Ų3910%0.10321%0.205CC..G310 helixtrans-54.6-24.516500000113.4S162 Y163 L164 N199G160-S162 PolarHBondContact O-N 3Å; G160-S162 VanDerWaalsContact O-N 3.14Å; G160-Y163 PolarHBondContact O-N 3Å; G160-L164 VanDerWaalsContact O-CB 3.26Å; G160-L164 WeakPolarHBondContact O-CB 3.15Å; G160-L164 VanDerWaalsContact O-CG 3.29Å; G160-L164 WeakPolarHBondContact O-CG 3.49Å; G160-L164 PolarHBondContact O-N 2.93Å; G160-N199 PolarHBondContact N-ND2 3.16Å; G160-N199 PolarHBondContact N-OD1 3.27Å
161A95.5Very high96.6Very high2 Ų231.9 Ų31.92%0.01718%0.175CC..G310 helixtrans-63-14.2174.700000114.1S159 Y163 I166 Y172 S173S159-A161 PolarHBondContact O-N 2.73Å; S159-A161 VanDerWaalsContact O-N 3.1Å; S159-A161 WeakPolarHBondContact OG-CB 3.43Å; S159-A161 PolarHBondContact OG-N 3.03Å; S159-A161 VanDerWaalsContact OG-N 3.14Å; A161-Y163 PolarHBondContact O-N 3.48Å; A161-I166 HydrophobicContact CB-CD1 3.99Å; A161-Y172 HydrophobicContact CB-CD1 3.56Å; A161-Y172 HydrophobicContact CB-CE1 3.64Å; A161-S173 VanDerWaalsContact O-CA 3.24Å; A161-S173 WeakPolarHBondContact O-CA 3.09Å; A161-S173 WeakPolarHBondContact O-CB 3.18Å; A161-S173 PolarHBondContact O-OG 2.81Å
162S96.1Very high96.6Very high20 Ų2029.9 Ų29.914%0.1417%0.165CC..G310 helixtrans-70.6-19176.368.80000113.6S159 G160 A177 D180S159-S162 WeakPolarHBondContact O-CB 3.47Å; S159-S162 PolarHBondContact O-N 2.96Å; S159-S162 PolarHBondContact O-OG 2.81Å; G160-S162 PolarHBondContact O-N 3Å; G160-S162 VanDerWaalsContact O-N 3.14Å; S162-A177 WeakPolarHBondContact O-CB 3.39Å; S162-D180 WeakPolarHBondContact CB-OD2 3.43Å; S162-D180 PolarHBondContact OG-OD2 3.47Å
163Y93.4Very high96.6Very high112 Ų11229.3 Ų29.344%0.43917%0.166SC..THydrogen-bonded Turntrans-135-14.2-179.963-88.8000114.3G160 A161 F257G160-Y163 PolarHBondContact O-N 3Å; A161-Y163 PolarHBondContact O-N 3.48Å; Y163-F257 HydrophobicContact CD1-CE1 4.43Å; Y163-F257 HydrophobicContact CD1-CE2 4.37Å; Y163-F257 HydrophobicContact CD1-CZ 4.1Å; Y163-F257 HydrophobicContact CE1-CD1 4.31Å; Y163-F257 AromaticContact CE1-CE1 3.54Å; Y163-F257 HydrophobicContact CE1-CE1 3.54Å; Y163-F257 HydrophobicContact CE1-CE2 4.12Å; Y163-F257 AromaticContact CE1-CZ 3.42Å; Y163-F257 HydrophobicContact CE1-CZ 3.42Å; Y163-F257 VanDerWaalsContact CE1-CZ 3.42Å
164L93.9Very high96.6Very high89 Ų8931.2 Ų31.247%0.46618%0.182SC..SBendtrans-91.3140.9175.4-63174.6000111.8G160 I166G160-L164 VanDerWaalsContact O-CB 3.26Å; G160-L164 WeakPolarHBondContact O-CB 3.15Å; G160-L164 VanDerWaalsContact O-CG 3.29Å; G160-L164 WeakPolarHBondContact O-CG 3.49Å; G160-L164 PolarHBondContact O-N 2.93Å; L164-I166 HydrophobicContact CB-CD1 4.38Å; L164-I166 HydrophobicContact CB-CG1 4.04Å; L164-I166 PolarHBondContact O-N 2.6Å; L164-I166 VanDerWaalsContact O-N 3.14Å
165S93.9Very high96.6Very high126 Ų12631.3 Ų31.388%0.88118%0.183SC*.  trans-78.995171.3-61.70000110.7
166I95.2Very high96.6Very high47 Ų4731.6 Ų31.624%0.24118%0.184CC..  trans-107.4109.1178.3-50.1-179.1000108.8A161 L164 L169 I220A161-I166 HydrophobicContact CB-CD1 3.99Å; L164-I166 HydrophobicContact CB-CD1 4.38Å; L164-I166 HydrophobicContact CB-CG1 4.04Å; L164-I166 PolarHBondContact O-N 2.6Å; L164-I166 VanDerWaalsContact O-N 3.14Å; I166-L169 HydrophobicContact CB-CB 4.23Å; I166-L169 HydrophobicContact CG2-CB 4.29Å; I166-L169 HydrophobicContact CG2-CD1 3.93Å; I166-L169 HydrophobicContact CG2-CD2 4.11Å; I166-L169 HydrophobicContact CG2-CG 4.33Å; I166-L169 PolarHBondContact O-N 3.31Å; I166-I220 HydrophobicContact CG2-CD1 3.53Å; I166-I220 HydrophobicContact CG2-CG1 4.17Å
167P95.8Very high96.6Very high65 Ų6533.3 Ų33.342%0.42220%0.198SC..THydrogen-bonded Turntrans-50.7148.2175-26.934.8000111.1L169 I220P167-L169 PolarHBondContact O-N 3.01Å; P167-L169 VanDerWaalsContact O-N 3.11Å; P167-I220 WeakPolarHBondContact O-CG1 3.38Å
168S96.6Very high96.6Very high2 Ų234.8 Ų34.81%0.01421%0.211CC..THydrogen-bonded Turntrans76-27.7-178.1-164.40000115.9I109 H170 T215 H216I109-S168 WeakPolarHBondContact CG2-O 3.28Å; I109-S168 PolarHBondContact O-OG 3.37Å; S168-H170 VanDerWaalsContact C-N 3.31Å; S168-H170 PolarHBondContact O-CE1 3.47Å; S168-H170 PolarHBondContact O-N 3.38Å; S168-H170 PolarHBondContact O-ND1 2.85Å; S168-T215 WeakPolarHBondContact CB-OG1 3.34Å; S168-T215 PolarHBondContact OG-OG1 3.35Å; S168-H216 WeakPolarHBondContact CA-NE2 3.18Å; S168-H216 PolarHBondContact OG-CD2 3.48Å; S168-H216 PolarHBondContact OG-N 3.45Å
169L97.3Very high96.6Very high10 Ų1034.9 Ų34.95%0.05221%0.211CC..  trans-94.234.7-177.9-7971.4000112.3I166 P167 Y172 S173 I211 I220I166-L169 HydrophobicContact CB-CB 4.23Å; I166-L169 HydrophobicContact CG2-CB 4.29Å; I166-L169 HydrophobicContact CG2-CD1 3.93Å; I166-L169 HydrophobicContact CG2-CD2 4.11Å; I166-L169 HydrophobicContact CG2-CG 4.33Å; I166-L169 PolarHBondContact O-N 3.31Å; P167-L169 PolarHBondContact O-N 3.01Å; P167-L169 VanDerWaalsContact O-N 3.11Å; L169-Y172 HydrophobicContact CB-CD1 4.49Å; L169-Y172 HydrophobicContact CD2-CD1 3.98Å; L169-Y172 PolarHBondContact O-N 2.88Å; L169-S173 WeakPolarHBondContact O-CB 3.06Å; L169-S173 PolarHBondContact O-N 3.25Å; L169-S173 PolarHBondContact O-OG 3.43Å; L169-I211 HydrophobicContact CD2-CD1 4.43Å; L169-I220 HydrophobicContact CD1-CG2 4.34Å
170H96.2Very high96.7Very high44 Ų4434 Ų3420%0.20421%0.205CC..Hα-helixtrans-62.4-56.4-172.62547.7000113.3P108 L111 L116 S168 Y172 S173 A174 H216P108-H170 PolarHBondContact O-CE1 3.36Å; L111-H170 PolarHBondContact O-CE1 3.3Å; L111-H170 VanDerWaalsContact O-CE1 3.23Å; L111-H170 PolarHBondContact O-NE2 2.93Å; L116-H170 HydrophobicContact CD1-CB 4.47Å; S168-H170 VanDerWaalsContact C-N 3.31Å; S168-H170 PolarHBondContact O-CE1 3.47Å; S168-H170 PolarHBondContact O-N 3.38Å; S168-H170 PolarHBondContact O-ND1 2.85Å; H170-Y172 VanDerWaalsContact C-N 3.33Å; H170-Y172 PolarHBondContact O-N 2.77Å; H170-S173 PolarHBondContact O-N 3.09Å; H170-A174 WeakPolarHBondContact O-CB 3.24Å; H170-A174 PolarHBondContact O-N 3.14Å; H170-H216 AromaticContact NE2-NE2 3.62Å
171L97.9Very high96.9Very high16 Ų1635.2 Ų35.28%0.08421%0.213CC..Hα-helixtrans-63.9-39.5175.3-66.2-165.4000111.7P108 L116 L121 V122 Y125 F126 S173 A174 G175P108-L171 HydrophobicContact CG-CD1 3.71Å; P108-L171 HydrophobicContact CG-CG 4.32Å; L116-L171 HydrophobicContact CD1-CD2 4.18Å; L116-L171 HydrophobicContact CD1-CG 4.11Å; L121-L171 HydrophobicContact CD2-CD1 4.34Å; V122-L171 HydrophobicContact CG1-CD2 4.42Å; V122-L171 HydrophobicContact CG2-CD1 4.15Å; Y125-L171 HydrophobicContact CD1-CB 3.81Å; Y125-L171 HydrophobicContact CD1-CD1 4.22Å; Y125-L171 HydrophobicContact CD2-CB 4.25Å; Y125-L171 HydrophobicContact CE1-CB 3.9Å; Y125-L171 WeakPolarHBondContact CE1-O 3.42Å; Y125-L171 HydrophobicContact CE2-CB 4.31Å; Y125-L171 HydrophobicContact CG-CB 4.04Å; Y125-L171 HydrophobicContact CG-CD1 3.96Å; Y125-L171 PolarHBondContact OH-O 3.36Å; F126-L171 HydrophobicContact CE2-CD2 4.34Å; L171-S173 PolarHBondContact O-N 2.74Å; L171-A174 PolarHBondContact O-N 3.24Å; L171-G175 PolarHBondContact O-N 3.42Å
172Y98.2Very high97Very high24 Ų2437.3 Ų37.39%0.09422%0.222CC..Hα-helixtrans-55.5-49.5175.2-172.5-102.6000112.8T105 V106 Y125 A161 L169 H170 G175 K176 M207T105-Y172 WeakPolarHBondContact O-CD2 3.5Å; V106-Y172 HydrophobicContact CB-CD2 4.48Å; V106-Y172 HydrophobicContact CG2-CD2 4.23Å; V106-Y172 HydrophobicContact CG2-CG 4.36Å; Y125-Y172 VanDerWaalsContact OH-CA 3.28Å; Y125-Y172 WeakPolarHBondContact OH-CA 3.04Å; A161-Y172 HydrophobicContact CB-CD1 3.56Å; A161-Y172 HydrophobicContact CB-CE1 3.64Å; L169-Y172 HydrophobicContact CB-CD1 4.49Å; L169-Y172 HydrophobicContact CD2-CD1 3.98Å; L169-Y172 PolarHBondContact O-N 2.88Å; H170-Y172 VanDerWaalsContact C-N 3.33Å; H170-Y172 PolarHBondContact O-N 2.77Å; Y172-G175 PolarHBondContact O-N 3.23Å; Y172-K176 HydrophobicContact CD1-CG 4.26Å; Y172-K176 HydrophobicContact CE1-CG 3.91Å; Y172-K176 HydrophobicContact CE2-CG 4.32Å; Y172-K176 WeakPolarHBondContact O-CG 3.31Å; Y172-K176 PolarHBondContact O-N 2.94Å; Y172-K176 VanDerWaalsContact OH-CE 3.3Å; Y172-K176 WeakPolarHBondContact OH-CE 3.31Å; Y172-M207 HydrophobicContact CE2-SD 4.21Å
173S97.9Very high97.2Very high20 Ų2036.4 Ų36.414%0.1422%0.216CC..Hα-helixtrans-63.9-45.5-180-57.50000110.6A161 L169 H170 L171 G175 K176 A177A161-S173 VanDerWaalsContact O-CA 3.24Å; A161-S173 WeakPolarHBondContact O-CA 3.09Å; A161-S173 WeakPolarHBondContact O-CB 3.18Å; A161-S173 PolarHBondContact O-OG 2.81Å; L169-S173 WeakPolarHBondContact O-CB 3.06Å; L169-S173 PolarHBondContact O-N 3.25Å; L169-S173 PolarHBondContact O-OG 3.43Å; H170-S173 PolarHBondContact O-N 3.09Å; L171-S173 PolarHBondContact O-N 2.74Å; S173-G175 PolarHBondContact O-N 2.97Å; S173-K176 PolarHBondContact O-N 2.99Å; S173-A177 VanDerWaalsContact O-CB 3.25Å; S173-A177 WeakPolarHBondContact O-CB 3.23Å; S173-A177 PolarHBondContact O-N 3.46Å
174A98.1Very high97.4Very high42 Ų4237.8 Ų37.835%0.34722%0.22SC..Hα-helixtrans-59.9-45176.100000112.1F126 H170 L171 A177 A178F126-A174 HydrophobicContact CZ-CB 4.12Å; H170-A174 WeakPolarHBondContact O-CB 3.24Å; H170-A174 PolarHBondContact O-N 3.14Å; L171-A174 PolarHBondContact O-N 3.24Å; A174-A177 PolarHBondContact O-N 3.14Å; A174-A178 WeakPolarHBondContact O-CB 3.36Å; A174-A178 PolarHBondContact O-N 3.29Å
175G98.5Very high97.6Very high1 Ų137 Ų371%0.0122%0.221CC..Hα-helixtrans-63.3-45.3177.500000112.7L171 Y172 S173 A178 R179L171-G175 PolarHBondContact O-N 3.42Å; Y172-G175 PolarHBondContact O-N 3.23Å; S173-G175 PolarHBondContact O-N 2.97Å; G175-A178 PolarHBondContact O-N 3.27Å; G175-R179 VanDerWaalsContact O-CG 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.28Å; G175-R179 PolarHBondContact O-N 3.42Å
176K98.3Very high97.8Very high7 Ų731.8 Ų31.83%0.0318%0.183CC..Hα-helixtrans-66.3-42177.3-68.2-61.7-172.1-176.90112.2I157 Y172 S173 A178 R179 D180I157-K176 PolarHBondContact O-NZ 3.48Å; Y172-K176 HydrophobicContact CD1-CG 4.26Å; Y172-K176 HydrophobicContact CE1-CG 3.91Å; Y172-K176 HydrophobicContact CE2-CG 4.32Å; Y172-K176 WeakPolarHBondContact O-CG 3.31Å; Y172-K176 PolarHBondContact O-N 2.94Å; Y172-K176 VanDerWaalsContact OH-CE 3.3Å; Y172-K176 WeakPolarHBondContact OH-CE 3.31Å; S173-K176 PolarHBondContact O-N 2.99Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-A178 PolarHBondContact O-N 2.89Å; K176-R179 PolarHBondContact O-N 2.98Å; K176-D180 PolarHBondContact O-N 3.43Å
177A98.1Very high97.9Very high35 Ų3530 Ų3029%0.28918%0.175SC..Hα-helixtrans-60.4-42.9174.300000112.1S162 S173 A174 D180 A181S162-A177 WeakPolarHBondContact O-CB 3.39Å; S173-A177 VanDerWaalsContact O-CB 3.25Å; S173-A177 WeakPolarHBondContact O-CB 3.23Å; S173-A177 PolarHBondContact O-N 3.46Å; A174-A177 PolarHBondContact O-N 3.14Å; A177-D180 PolarHBondContact O-N 2.68Å; A177-A181 WeakPolarHBondContact O-CB 3.5Å; A177-A181 PolarHBondContact O-N 2.9Å
178A98.6Very high98Very high35 Ų3530.6 Ų30.629%0.28919%0.186SC..Hα-helixtrans-62.4-43.2176.900000112V130 A174 G175 K176 A181 F182V130-A178 HydrophobicContact CG1-CB 4.12Å; V130-A178 HydrophobicContact CG2-CB 4.07Å; A174-A178 WeakPolarHBondContact O-CB 3.36Å; A174-A178 PolarHBondContact O-N 3.29Å; G175-A178 PolarHBondContact O-N 3.27Å; K176-A178 VanDerWaalsContact C-N 3.34Å; K176-A178 PolarHBondContact O-N 2.89Å; A178-A181 PolarHBondContact O-N 2.94Å; A178-F182 WeakPolarHBondContact O-CB 3.42Å; A178-F182 PolarHBondContact O-N 2.92Å
179R98.8Very high98.1Very high4 Ų437.5 Ų37.52%0.01522%0.218CC..Hα-helixtrans-64.5-44.2177.1-67.8166.467.7107.7-3.5112.2Q101 N129 F133 N156 G175 K176 A181 F182 Y183Q101-R179 PolarHBondContact O-NH2 3.25Å; N129-R179 VanDerWaalsContact O-CD 3.28Å; N129-R179 WeakPolarHBondContact O-CD 3.28Å; N129-R179 PolarHBondContact O-NH1 3.35Å; F133-R179 HydrophobicContact CD1-CB 4.2Å; F133-R179 HydrophobicContact CD1-CG 3.73Å; F133-R179 HydrophobicContact CD2-CG 4.46Å; F133-R179 VanDerWaalsContact CD2-NH1 3.27Å; F133-R179 HydrophobicContact CE1-CB 3.73Å; F133-R179 HydrophobicContact CE1-CG 3.8Å; F133-R179 VanDerWaalsContact CE2-CZ 3.46Å; F133-R179 HydrophobicContact CG-CG 4.05Å; F133-R179 HydrophobicContact CZ-CB 3.98Å; F133-R179 HydrophobicContact CZ-CG 4.24Å; N156-R179 VanDerWaalsContact OD1-CZ 3.31Å; N156-R179 PolarHBondContact OD1-NE 3.43Å; N156-R179 PolarHBondContact OD1-NH2 3.2Å; G175-R179 VanDerWaalsContact O-CG 3.28Å; G175-R179 WeakPolarHBondContact O-CG 3.28Å; G175-R179 PolarHBondContact O-N 3.42Å; K176-R179 PolarHBondContact O-N 2.98Å; R179-A181 VanDerWaalsContact C-N 3.33Å; R179-A181 PolarHBondContact O-N 3.28Å; R179-F182 PolarHBondContact O-N 3.48Å; R179-Y183 PolarHBondContact O-N 3.38Å
180D98.3Very high98.1Very high4 Ų441 Ų412%0.02123%0.234CC..Hα-helixtrans-62.1-43.9177.3-72.41000111N156 S158 S162 K176 A177 Y183 R184 N197 F257N156-D180 PolarHBondContact ND2-OD1 2.86Å; S158-D180 WeakPolarHBondContact CB-OD1 3.44Å; S158-D180 PolarHBondContact OG-OD1 3.43Å; S158-D180 PolarHBondContact OG-OD2 3.21Å; S162-D180 WeakPolarHBondContact CB-OD2 3.43Å; S162-D180 PolarHBondContact OG-OD2 3.47Å; K176-D180 PolarHBondContact O-N 3.43Å; A177-D180 PolarHBondContact O-N 2.68Å; D180-Y183 PolarHBondContact O-N 3.37Å; D180-R184 WeakPolarHBondContact O-CG 3.41Å; D180-R184 PolarHBondContact O-N 3.24Å; D180-N197 PolarHBondContact OD1-OD1 2.83Å; D180-F257 WeakPolarHBondContact OD2-CD2 3.43Å; D180-F257 WeakPolarHBondContact OD2-CE2 3.4Å
181A98.1Very high98.1Very high34 Ų3445 Ų4528%0.28126%0.262SS..Hα-helixtrans-62.4-45.2176.100000112.1A177 A178 R179 Y183 R184 C185A177-A181 WeakPolarHBondContact O-CB 3.5Å; A177-A181 PolarHBondContact O-N 2.9Å; A178-A181 PolarHBondContact O-N 2.94Å; R179-A181 VanDerWaalsContact C-N 3.33Å; R179-A181 PolarHBondContact O-N 3.28Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-Y183 PolarHBondContact O-N 3.43Å; A181-R184 PolarHBondContact O-N 2.83Å; A181-C185 PolarHBondContact O-N 3.43Å; A181-C185 VanDerWaalsContact O-N 3.1Å; A181-C185 PolarHBondContact O-SG 2.64Å
182F98.6Very high98Very high47 Ų4746.2 Ų46.221%0.20628%0.278CS..Hα-helixtrans-57.1-47.7175.2176.4-101.9000111.2F133 I134 N137 A178 R179 R184 C185 F186F133-F182 HydrophobicContact CD1-CD1 4.12Å; F133-F182 HydrophobicContact CE1-CB 4.43Å; F133-F182 AromaticContact CE1-CD1 3.54Å; F133-F182 HydrophobicContact CE1-CD1 3.54Å; F133-F182 HydrophobicContact CE1-CE1 4.28Å; F133-F182 HydrophobicContact CE1-CG 4.36Å; F133-F182 HydrophobicContact CZ-CD1 4.42Å; I134-F182 HydrophobicContact CB-CE2 4.35Å; I134-F182 HydrophobicContact CB-CZ 4.28Å; I134-F182 HydrophobicContact CD1-CD2 4.03Å; I134-F182 HydrophobicContact CD1-CE2 4.39Å; I134-F182 HydrophobicContact CD1-CG 4.34Å; I134-F182 HydrophobicContact CG1-CD1 4.04Å; I134-F182 HydrophobicContact CG1-CD2 3.83Å; I134-F182 HydrophobicContact CG1-CE1 4.15Å; I134-F182 HydrophobicContact CG1-CE2 3.93Å; I134-F182 HydrophobicContact CG1-CG 3.9Å; I134-F182 HydrophobicContact CG1-CZ 4.1Å; I134-F182 HydrophobicContact CG2-CD2 4.44Å; I134-F182 HydrophobicContact CG2-CE2 3.74Å; I134-F182 HydrophobicContact CG2-CZ 3.83Å; N137-F182 HydrophobicContact CB-CE1 4.47Å; A178-F182 WeakPolarHBondContact O-CB 3.42Å; A178-F182 PolarHBondContact O-N 2.92Å; R179-F182 PolarHBondContact O-N 3.48Å; F182-R184 PolarHBondContact O-N 3.43Å; F182-C185 PolarHBondContact O-N 3.28Å; F182-F186 HydrophobicContact CE1-CB 4.45Å; F182-F186 HydrophobicContact CZ-CD2 4.34Å; F182-F186 VanDerWaalsContact O-CB 3.24Å; F182-F186 WeakPolarHBondContact O-CB 3.5Å; F182-F186 PolarHBondContact O-N 3.37Å
183Y98.5Very high98Very high0 Ų045.3 Ų45.30%027%0.274CS..Hα-helixtrans-70.1-28.1179.4-92.520.6000114.4Q101 F133 N137 A154 N156 R179 D180 A181 A187 V195 N197Q101-Y183 PolarHBondContact NE2-OH 2.97Å; F133-Y183 AromaticContact CE1-CD1 3.85Å; F133-Y183 HydrophobicContact CE1-CD1 3.85Å; F133-Y183 AromaticContact CE1-CE1 3.68Å; F133-Y183 HydrophobicContact CE1-CE1 3.68Å; F133-Y183 AromaticContact CE2-CE1 3.86Å; F133-Y183 HydrophobicContact CE2-CE1 3.86Å; F133-Y183 HydrophobicContact CE2-CE2 4.23Å; F133-Y183 AromaticContact CE2-CZ 3.63Å; F133-Y183 AromaticContact CZ-CD1 3.51Å; F133-Y183 HydrophobicContact CZ-CD1 3.51Å; F133-Y183 HydrophobicContact CZ-CD2 4.13Å; F133-Y183 AromaticContact CZ-CE1 3.15Å; F133-Y183 HydrophobicContact CZ-CE1 3.15Å; F133-Y183 AromaticContact CZ-CE2 3.88Å; F133-Y183 HydrophobicContact CZ-CE2 3.88Å; F133-Y183 AromaticContact CZ-CG 3.96Å; F133-Y183 HydrophobicContact CZ-CG 3.96Å; F133-Y183 AromaticContact CZ-CZ 3.34Å; N137-Y183 PolarHBondContact OD1-OH 3.02Å; A154-Y183 HydrophobicContact CB-CE2 3.99Å; N156-Y183 HydrophobicContact CB-CD2 3.44Å; N156-Y183 VanDerWaalsContact CB-CD2 3.44Å; N156-Y183 HydrophobicContact CB-CE2 3.43Å; N156-Y183 VanDerWaalsContact CB-CE2 3.43Å; N156-Y183 HydrophobicContact CB-CG 4.34Å; R179-Y183 PolarHBondContact O-N 3.38Å; D180-Y183 PolarHBondContact O-N 3.37Å; A181-Y183 VanDerWaalsContact C-N 3.34Å; A181-Y183 PolarHBondContact O-N 3.43Å; Y183-A187 VanDerWaalsContact O-CB 3.26Å; Y183-A187 WeakPolarHBondContact O-CB 3.38Å; Y183-A187 PolarHBondContact O-N 3.11Å; Y183-V195 HydrophobicContact CD1-CG1 4.27Å; Y183-V195 HydrophobicContact CD2-CG1 3.29Å; Y183-V195 HydrophobicContact CE2-CG1 4Å; Y183-V195 HydrophobicContact CG-CG1 3.46Å; Y183-V195 VanDerWaalsContact CG-CG1 3.46Å; Y183-N197 WeakPolarHBondContact CB-OD1 3.3Å
184R97.7Very high98Very high141 Ų14147.7 Ų47.753%0.53228%0.28SS..Hα-helixtrans-63.8-47.5169.6-75.4-169-53.4-88.12.6111.5D180 A181 F182 A188 G255D180-R184 WeakPolarHBondContact O-CG 3.41Å; D180-R184 PolarHBondContact O-N 3.24Å; A181-R184 PolarHBondContact O-N 2.83Å; F182-R184 PolarHBondContact O-N 3.43Å; R184-A188 PolarHBondContact O-N 3.29Å; R184-G255 WeakPolarHBondContact CG-O 3.19Å
185C98.2Very high98Very high73 Ų7345.7 Ų45.749%0.49326%0.264SS..Hα-helixtrans-67.1-45.2177.9-62.20000111.5A181 F182 A187 A188 E189A181-C185 PolarHBondContact O-N 3.43Å; A181-C185 VanDerWaalsContact O-N 3.1Å; A181-C185 PolarHBondContact O-SG 2.64Å; F182-C185 PolarHBondContact O-N 3.28Å; C185-A187 VanDerWaalsContact C-N 3.28Å; C185-A187 PolarHBondContact O-N 3.46Å; C185-A188 WeakPolarHBondContact O-CB 3.28Å; C185-A188 PolarHBondContact O-N 3.34Å; C185-E189 PolarHBondContact O-N 2.9Å
186F98.5Very high98Very high16 Ų1645.7 Ų45.77%0.0726%0.263CS..Hα-helixtrans-57.6-40.3177.9-175.5-106.8000111.9N137 F141 A154 F182 A188 E189 E190 I193 V195N137-F186 WeakPolarHBondContact ND2-CE2 3.35Å; N137-F186 VanDerWaalsContact ND2-CZ 3.28Å; N137-F186 WeakPolarHBondContact ND2-CZ 3.34Å; F141-F186 HydrophobicContact CD2-CE1 4.42Å; F141-F186 HydrophobicContact CD2-CZ 4.05Å; F141-F186 HydrophobicContact CE2-CE1 4.36Å; F141-F186 HydrophobicContact CE2-CZ 4.44Å; A154-F186 HydrophobicContact CB-CE1 4.39Å; F182-F186 HydrophobicContact CE1-CB 4.45Å; F182-F186 HydrophobicContact CZ-CD2 4.34Å; F182-F186 VanDerWaalsContact O-CB 3.24Å; F182-F186 WeakPolarHBondContact O-CB 3.5Å; F182-F186 PolarHBondContact O-N 3.37Å; F186-A188 VanDerWaalsContact C-N 3.31Å; F186-A188 PolarHBondContact O-N 3.2Å; F186-E189 PolarHBondContact O-N 3.1Å; F186-E190 HydrophobicContact CD2-CG 4Å; F186-E190 HydrophobicContact CE1-CB 4.43Å; F186-E190 HydrophobicContact CE2-CB 4.27Å; F186-E190 HydrophobicContact CE2-CG 3.59Å; F186-E190 HydrophobicContact CZ-CB 4.18Å; F186-E190 HydrophobicContact CZ-CG 3.92Å; F186-E190 WeakPolarHBondContact O-CB 3.42Å; F186-E190 PolarHBondContact O-N 3.18Å; F186-I193 HydrophobicContact CE1-CB 4.41Å; F186-I193 HydrophobicContact CE1-CD1 4.13Å; F186-I193 HydrophobicContact CE1-CG2 4.06Å; F186-I193 HydrophobicContact CZ-CD1 3.73Å; F186-V195 HydrophobicContact CD1-CG2 3.72Å; F186-V195 HydrophobicContact CE1-CG2 4.17Å
187A98.3Very high98Very high10 Ų1045.4 Ų45.48%0.08326%0.262CS..Hα-helixtrans-64.5-33175.500000113.7Y183 C185 V195Y183-A187 VanDerWaalsContact O-CB 3.26Å; Y183-A187 WeakPolarHBondContact O-CB 3.38Å; Y183-A187 PolarHBondContact O-N 3.11Å; C185-A187 VanDerWaalsContact C-N 3.28Å; C185-A187 PolarHBondContact O-N 3.46Å; A187-V195 HydrophobicContact CB-CB 3.79Å; A187-V195 HydrophobicContact CB-CG1 4.41Å; A187-V195 HydrophobicContact CB-CG2 3.75Å
188A97.9Very high97.9Very high78 Ų7843.8 Ų43.865%0.64525%0.249SC*.Hα-helixtrans-76.2-31.4178.600000112.4R184 C185 F186R184-A188 PolarHBondContact O-N 3.29Å; C185-A188 WeakPolarHBondContact O-CB 3.28Å; C185-A188 PolarHBondContact O-N 3.34Å; F186-A188 VanDerWaalsContact C-N 3.31Å; F186-A188 PolarHBondContact O-N 3.2Å
189E97.9Very high97.8Very high147 Ų14742.7 Ų42.769%0.68724%0.238SC*.Hα-helixtrans-82.2-47.3177.5-69.3175.5-155.500111.9C185 F186 T191C185-E189 PolarHBondContact O-N 2.9Å; F186-E189 PolarHBondContact O-N 3.1Å; E189-T191 PolarHBondContact O-N 3.35Å
190E97.5Very high97.7Very high84 Ų8443 Ų4339%0.39324%0.241SC..  trans-10168.7-172.4-65.7-64.5164.200111.8F186 G192 I193F186-E190 HydrophobicContact CD2-CG 4Å; F186-E190 HydrophobicContact CE1-CB 4.43Å; F186-E190 HydrophobicContact CE2-CB 4.27Å; F186-E190 HydrophobicContact CE2-CG 3.59Å; F186-E190 HydrophobicContact CZ-CB 4.18Å; F186-E190 HydrophobicContact CZ-CG 3.92Å; F186-E190 WeakPolarHBondContact O-CB 3.42Å; F186-E190 PolarHBondContact O-N 3.18Å; E190-G192 PolarHBondContact O-N 2.79Å; E190-I193 HydrophobicContact CB-CB 4.33Å; E190-I193 HydrophobicContact CB-CD1 4.11Å; E190-I193 HydrophobicContact CB-CG1 4.33Å; E190-I193 HydrophobicContact CG-CD1 4.45Å; E190-I193 PolarHBondContact O-N 3.24Å
191T96.2Very high97.4Very high128 Ų12844.3 Ų44.379%0.78526%0.255SS*.THydrogen-bonded Turntrans-62.1-16-175.662.80000114.3E189 I193E189-T191 PolarHBondContact O-N 3.35Å; T191-I193 VanDerWaalsContact C-N 3.31Å
192G96.5Very high97.2Very high41 Ų4145.3 Ų45.342%0.42326%0.259SS..THydrogen-bonded Turntrans-81.3-4.5173.300000114.6E190E190-G192 PolarHBondContact O-N 2.79Å
193I98Very high97.1Very high4 Ų443.4 Ų43.42%0.02125%0.251CS..SBendtrans-119.2124.9178.8-56.5175.1000108.4F141 R152 A154 F186 E190 T191 V195F141-I193 HydrophobicContact CB-CD1 4.14Å; F141-I193 HydrophobicContact CD1-CD1 3.79Å; F141-I193 HydrophobicContact CD1-CG1 4.46Å; F141-I193 HydrophobicContact CD2-CD1 4.19Å; F141-I193 HydrophobicContact CE1-CD1 4.25Å; F141-I193 HydrophobicContact CE1-CG2 3.95Å; F141-I193 HydrophobicContact CE2-CG2 4.3Å; F141-I193 HydrophobicContact CG-CD1 3.77Å; F141-I193 HydrophobicContact CZ-CG2 3.82Å; R152-I193 HydrophobicContact CB-CB 4.38Å; R152-I193 HydrophobicContact CB-CG1 3.91Å; R152-I193 HydrophobicContact CB-CG2 4.24Å; R152-I193 WeakPolarHBondContact O-CA 3.4Å; A154-I193 HydrophobicContact CB-CG2 4.19Å; F186-I193 HydrophobicContact CE1-CB 4.41Å; F186-I193 HydrophobicContact CE1-CD1 4.13Å; F186-I193 HydrophobicContact CE1-CG2 4.06Å; F186-I193 HydrophobicContact CZ-CD1 3.73Å; E190-I193 HydrophobicContact CB-CB 4.33Å; E190-I193 HydrophobicContact CB-CD1 4.11Å; E190-I193 HydrophobicContact CB-CG1 4.33Å; E190-I193 HydrophobicContact CG-CD1 4.45Å; E190-I193 PolarHBondContact O-N 3.24Å; T191-I193 VanDerWaalsContact C-N 3.31Å; I193-V195 HydrophobicContact CG2-CG2 4.41Å
194R97.5Very high97Very high71 Ų7147 Ų4727%0.26828%0.276SS..EExtended strand (participates in β ladder)trans-80.4132.5172.6-69.1-164.665.6154.3-4.1110.1R152 V153 A154 N250 F252R152-R194 PolarHBondContact O-N 3.01Å; V153-R194 CarbonylContact C-O 3.59Å; V153-R194 VanDerWaalsContact CA-O 3.23Å; V153-R194 WeakPolarHBondContact CA-O 3.19Å; V153-R194 HydrophobicContact CG2-CB 4.17Å; A154-R194 PolarHBondContact N-O 2.93Å; R194-N250 PolarHBondContact NE-OD1 2.96Å; R194-N250 PolarHBondContact NH1-ND2 3.41Å; R194-N250 VanDerWaalsContact NH1-ND2 3.16Å; R194-N250 PolarHBondContact NH1-O 2.95Å; R194-N250 PolarHBondContact NH1-OD1 3.24Å; R194-N250 PolarHBondContact NH2-O 2.88Å; R194-N250 PolarHBondContact NH2-OD1 2.73Å; R194-F252 HydrophobicContact CB-CE2 4.34Å; R194-F252 HydrophobicContact CB-CZ 4.42Å; R194-F252 PolarHBondContact NH2-O 2.88Å
195V98.5Very high96.9Very high0 Ų041.6 Ų41.60%026%0.258CS..EExtended strand (participates in β ladder)trans-120.8135.2-174.4-173.70000110.1A154 Y183 F186 A187 I193 F252 S254 G255A154-V195 HydrophobicContact CB-CG2 4.39Å; A154-V195 CarbonylContact O-C 3.56Å; A154-V195 WeakPolarHBondContact O-CA 3.48Å; Y183-V195 HydrophobicContact CD1-CG1 4.27Å; Y183-V195 HydrophobicContact CD2-CG1 3.29Å; Y183-V195 HydrophobicContact CE2-CG1 4Å; Y183-V195 HydrophobicContact CG-CG1 3.46Å; Y183-V195 VanDerWaalsContact CG-CG1 3.46Å; F186-V195 HydrophobicContact CD1-CG2 3.72Å; F186-V195 HydrophobicContact CE1-CG2 4.17Å; A187-V195 HydrophobicContact CB-CB 3.79Å; A187-V195 HydrophobicContact CB-CG1 4.41Å; A187-V195 HydrophobicContact CB-CG2 3.75Å; I193-V195 HydrophobicContact CG2-CG2 4.41Å; V195-F252 WeakPolarHBondContact O-CE2 3.36Å; V195-S254 PolarHBondContact N-OG 3.43Å; V195-S254 CarbonylContact O-C 3.54Å; V195-S254 WeakPolarHBondContact O-CA 3.4Å; V195-G255 PolarHBondContact O-N 2.88Å
196L97.7Very high96.9Very high0 Ų042.7 Ų42.70%026%0.259CS..EExtended strand (participates in β ladder)trans-132.1122.5-179.1174.662.6000110.6A154 V155 N156 F198 F243 F252 C258A154-L196 PolarHBondContact O-N 3.33Å; V155-L196 CarbonylContact C-O 3.58Å; V155-L196 WeakPolarHBondContact CA-O 3.38Å; V155-L196 HydrophobicContact CG1-CD2 4.36Å; V155-L196 HydrophobicContact CG2-CB 4.29Å; V155-L196 HydrophobicContact CG2-CD2 4.35Å; N156-L196 PolarHBondContact N-O 3.11Å; L196-F198 HydrophobicContact CD2-CB 4.13Å; L196-F198 HydrophobicContact CD2-CD2 4.43Å; L196-F198 HydrophobicContact CG-CB 4.05Å; L196-F243 HydrophobicContact CD2-CE2 4.38Å; L196-F252 HydrophobicContact CB-CD2 4.19Å; L196-F252 HydrophobicContact CB-CE2 3.88Å; L196-F252 HydrophobicContact CB-CZ 4.17Å; L196-F252 HydrophobicContact CD1-CB 4.21Å; L196-F252 HydrophobicContact CD1-CD1 4.35Å; L196-F252 HydrophobicContact CD1-CD2 4.03Å; L196-F252 HydrophobicContact CD1-CG 3.95Å; L196-F252 HydrophobicContact CD2-CE1 4.41Å; L196-C258 HydrophobicContact CD1-CB 3.78Å
197N97.8Very high96.8Very high1 Ų144.5 Ų44.51%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-94.797.7163.8-69.1-54.7000108.4N156 D180 Y183 G255 A256 F257 C258N156-N197 WeakPolarHBondContact CB-OD1 3.44Å; N156-N197 PolarHBondContact ND2-OD1 2.76Å; D180-N197 PolarHBondContact OD1-OD1 2.83Å; Y183-N197 WeakPolarHBondContact CB-OD1 3.3Å; N197-G255 PolarHBondContact ND2-O 3.43Å; N197-A256 PolarHBondContact N-O 2.91Å; N197-F257 HydrophobicContact CB-CD2 4.23Å; N197-F257 WeakPolarHBondContact O-CA 3Å; N197-C258 PolarHBondContact O-N 3.38Å
198F97.3Very high96.7Very high2 Ų244.7 Ų44.71%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-95.8118.5-175.4-176.5-97.2000111.1V155 N156 I157 S158 L196 P200 V239 K242 F243 C246 C258 A260V155-F198 HydrophobicContact CG1-CB 4.39Å; N156-F198 PolarHBondContact O-N 2.89Å; I157-F198 CarbonylContact C-O 3.49Å; I157-F198 WeakPolarHBondContact CA-O 3.38Å; I157-F198 HydrophobicContact CD1-CB 4.31Å; I157-F198 HydrophobicContact CD1-CD1 4.05Å; S158-F198 PolarHBondContact N-O 3.44Å; L196-F198 HydrophobicContact CD2-CB 4.13Å; L196-F198 HydrophobicContact CD2-CD2 4.43Å; L196-F198 HydrophobicContact CG-CB 4.05Å; F198-P200 HydrophobicContact CE1-CB 4.34Å; F198-P200 WeakPolarHBondContact O-CD 3.21Å; F198-V239 HydrophobicContact CE1-CG1 4.06Å; F198-K242 HydrophobicContact CZ-CB 4.41Å; F198-F243 HydrophobicContact CD1-CD2 4.04Å; F198-F243 HydrophobicContact CD2-CD2 4.19Å; F198-F243 HydrophobicContact CE1-CB 4.12Å; F198-F243 HydrophobicContact CE1-CD2 4.22Å; F198-F243 HydrophobicContact CE2-CB 4.49Å; F198-F243 HydrophobicContact CE2-CD2 4.37Å; F198-F243 HydrophobicContact CG-CD2 4.01Å; F198-F243 HydrophobicContact CZ-CB 3.97Å; F198-F243 HydrophobicContact CZ-CD2 4.38Å; F198-C246 HydrophobicContact CE2-CB 4.33Å; F198-C258 CarbonylContact C-O 3.6Å; F198-C258 WeakPolarHBondContact CA-O 3.48Å; F198-A260 HydrophobicContact CZ-CB 3.92Å
199N96.2Very high96.7Very high11 Ų1144 Ų446%0.05925%0.252CS..EExtended strand (participates in β ladder)trans-94.4113.6175.3178.412.7000111S159 G160 G201 F257 C258 T259 A260S159-N199 WeakPolarHBondContact CA-OD1 3.31Å; G160-N199 PolarHBondContact N-ND2 3.16Å; G160-N199 PolarHBondContact N-OD1 3.27Å; N199-G201 PolarHBondContact O-N 2.86Å; N199-G201 PolarHBondContact OD1-N 2.67Å; N199-F257 HydrophobicContact CB-CD1 4.44Å; N199-F257 HydrophobicContact CB-CE1 3.49Å; N199-F257 VanDerWaalsContact CB-CE1 3.49Å; N199-F257 HydrophobicContact CB-CE2 4.07Å; N199-F257 HydrophobicContact CB-CZ 3.26Å; N199-F257 WeakPolarHBondContact ND2-CE1 3.21Å; N199-F257 WeakPolarHBondContact ND2-CZ 3.32Å; N199-C258 PolarHBondContact N-O 3.4Å; N199-T259 HydrophobicContact CB-CG2 4.3Å; N199-A260 PolarHBondContact O-N 2.87Å
200P96Very high96.7Very high11 Ų1139.9 Ų39.97%0.07123%0.233CC..  trans-76.1-8.8-179.134.2-37.3000113.5I19 I157 S158 F198 V203 V239I19-P200 HydrophobicContact CD1-CB 3.89Å; I19-P200 HydrophobicContact CD1-CG 3.79Å; I157-P200 HydrophobicContact CG2-CG 3.97Å; S158-P200 VanDerWaalsContact O-CD 3.25Å; S158-P200 WeakPolarHBondContact O-CD 3.39Å; F198-P200 HydrophobicContact CE1-CB 4.34Å; F198-P200 WeakPolarHBondContact O-CD 3.21Å; P200-V203 HydrophobicContact CB-CG2 3.89Å; P200-V203 HydrophobicContact CG-CG2 4.32Å; P200-V239 HydrophobicContact CB-CG1 3.47Å; P200-V239 VanDerWaalsContact CB-CG1 3.47Å; P200-V239 HydrophobicContact CB-CG2 4.19Å; P200-V239 WeakPolarHBondContact O-CG2 3.33Å
201G93.1Very high96.6Very high31 Ų3136.5 Ų36.532%0.3222%0.217SC..  trans72-168.4-168.900000112.4N199 V203N199-G201 PolarHBondContact O-N 2.86Å; N199-G201 PolarHBondContact OD1-N 2.67Å; G201-V203 WeakPolarHBondContact O-CG2 3.17Å; G201-V203 PolarHBondContact O-N 3.37Å
202P93.8Very high96.7Very high56 Ų5632.7 Ų32.736%0.36419%0.19SC..SBendtrans-76121.1174.832.1-33.7000110.4W223 F233 A234P202-W223 HydrophobicContact CB-CH2 3.81Å; P202-W223 HydrophobicContact CB-CZ2 4.16Å; P202-F233 HydrophobicContact CB-CD1 3.63Å; P202-F233 HydrophobicContact CB-CE1 3.99Å; P202-F233 HydrophobicContact CB-CG 4.32Å; P202-F233 HydrophobicContact CG-CD1 3.96Å; P202-F233 HydrophobicContact CG-CE1 4.45Å; P202-A234 PolarHBondContact O-N 3.07Å
203V96Very high96.7Very high7 Ų736.2 Ų36.24%0.04220%0.196CC..BIsolated β-bridgetrans-120.9132.4-172.1-1640000110.9I19 P200 G201 T205 Q208 A234 V239I19-V203 HydrophobicContact CD1-CB 4.26Å; I19-V203 HydrophobicContact CD1-CG2 3.8Å; I19-V203 HydrophobicContact CG1-CB 4.4Å; I19-V203 HydrophobicContact CG1-CG1 4.15Å; I19-V203 HydrophobicContact CG1-CG2 4.24Å; P200-V203 HydrophobicContact CB-CG2 3.89Å; P200-V203 HydrophobicContact CG-CG2 4.32Å; G201-V203 WeakPolarHBondContact O-CG2 3.17Å; G201-V203 PolarHBondContact O-N 3.37Å; V203-T205 HydrophobicContact CB-CG2 4.1Å; V203-T205 HydrophobicContact CG1-CG2 3.81Å; V203-T205 PolarHBondContact O-N 3.42Å; V203-T205 PolarHBondContact O-OG1 3.38Å; V203-Q208 VanDerWaalsContact O-CB 3.24Å; V203-Q208 WeakPolarHBondContact O-CB 3.39Å; V203-A234 CarbonylContact C-O 3.51Å; V203-A234 WeakPolarHBondContact CA-O 3.44Å; V203-A234 VanDerWaalsContact CG1-O 3.31Å; V203-A234 WeakPolarHBondContact CG1-O 3.4Å; V203-V239 HydrophobicContact CG1-CG2 4.09Å; V203-V239 HydrophobicContact CG2-CG2 3.73Å
204S96.2Very high96.7Very high74 Ų7440.9 Ų40.952%0.51722%0.216SC..  trans-67.992.5175.2-166.50000110.6A234S204-A234 PolarHBondContact N-O 2.92Å
205T96.5Very high96.7Very high28 Ų2838 Ų3817%0.17221%0.206CC..SBendtrans-140.6169-177.960.70000110.4I19 V203 M207 Q208 M209 S236I19-T205 HydrophobicContact CG1-CG2 4.39Å; V203-T205 HydrophobicContact CB-CG2 4.1Å; V203-T205 HydrophobicContact CG1-CG2 3.81Å; V203-T205 PolarHBondContact O-N 3.42Å; V203-T205 PolarHBondContact O-OG1 3.38Å; T205-M207 PolarHBondContact O-N 3.39Å; T205-M207 VanDerWaalsContact O-N 3.16Å; T205-M207 PolarHBondContact OG1-N 3.31Å; T205-Q208 WeakPolarHBondContact O-CB 3.38Å; T205-Q208 PolarHBondContact O-N 3Å; T205-Q208 PolarHBondContact OG1-N 2.63Å; T205-M209 PolarHBondContact O-N 3.3Å; T205-M209 VanDerWaalsContact O-N 3.07Å; T205-S236 WeakPolarHBondContact CG2-OG 3.07Å
206D96.6Very high96.6Very high96 Ų9641.4 Ų41.451%0.51322%0.222SC..Hα-helixtrans-54.2-33.4172.3-57.3-19.4000112.7R17 M209 E210R17-D206 IonicContact CZ-OD2 3.05Å; R17-D206 IonicContact NH1-OD2 2.71Å; R17-D206 PolarHBondContact NH1-OD2 2.99Å; D206-M209 PolarHBondContact O-N 2.99Å; D206-E210 WeakPolarHBondContact O-CB 3.48Å; D206-E210 PolarHBondContact O-N 3.48Å
207M97Very high96.6Very high54 Ų5442.2 Ų42.227%0.26623%0.227SC..Hα-helixtrans-66.8-40.2177-177178-70.500111.5A104 V106 Y172 T205 M209 E210 I211A104-M207 WeakPolarHBondContact O-CE 3.45Å; V106-M207 HydrophobicContact CB-CG 4.29Å; Y172-M207 HydrophobicContact CE2-SD 4.21Å; T205-M207 PolarHBondContact O-N 3.39Å; T205-M207 VanDerWaalsContact O-N 3.16Å; T205-M207 PolarHBondContact OG1-N 3.31Å; M207-M209 VanDerWaalsContact C-N 3.26Å; M207-M209 PolarHBondContact O-N 3.11Å; M207-E210 PolarHBondContact O-N 3.23Å; M207-I211 HydrophobicContact CG-CD1 4.39Å; M207-I211 WeakPolarHBondContact O-CG1 3.46Å; M207-I211 PolarHBondContact O-N 2.86Å
208Q96.7Very high96.5Very high15 Ų1546.9 Ų46.97%0.0726%0.256CS..Hα-helixtrans-66-34.4175.2-176.756.334.200111.3V203 T205 I211 F212 S224 F233V203-Q208 VanDerWaalsContact O-CB 3.24Å; V203-Q208 WeakPolarHBondContact O-CB 3.39Å; T205-Q208 WeakPolarHBondContact O-CB 3.38Å; T205-Q208 PolarHBondContact O-N 3Å; T205-Q208 PolarHBondContact OG1-N 2.63Å; Q208-I211 PolarHBondContact O-N 2.61Å; Q208-F212 PolarHBondContact O-N 2.99Å; Q208-S224 PolarHBondContact NE2-OG 3.42Å; Q208-F233 HydrophobicContact CG-CD2 3.73Å; Q208-F233 HydrophobicContact CG-CE2 3.66Å
209M96.8Very high96.5Very high62 Ų6254 Ų5431%0.30529%0.287SS..Hα-helixtrans-68.4-41173.4179.346.429.500112.7T205 D206 M207 I211 F212 Q213 M228T205-M209 PolarHBondContact O-N 3.3Å; T205-M209 VanDerWaalsContact O-N 3.07Å; D206-M209 PolarHBondContact O-N 2.99Å; M207-M209 VanDerWaalsContact C-N 3.26Å; M207-M209 PolarHBondContact O-N 3.11Å; M209-I211 VanDerWaalsContact C-N 3.31Å; M209-I211 PolarHBondContact O-N 3.38Å; M209-F212 HydrophobicContact CE-CB 4.05Å; M209-F212 HydrophobicContact CE-CD1 3.52Å; M209-F212 HydrophobicContact CE-CE1 4.37Å; M209-F212 HydrophobicContact CE-CG 4.15Å; M209-F212 PolarHBondContact O-N 3.47Å; M209-F212 HydrophobicContact SD-CD1 3.81Å; M209-Q213 HydrophobicContact CG-CG 4.48Å; M209-Q213 WeakPolarHBondContact O-CB 3.47Å; M209-Q213 WeakPolarHBondContact O-CG 3.08Å; M209-Q213 PolarHBondContact O-N 3.39Å; M209-Q213 VanDerWaalsContact SD-CD 3.6Å; M209-Q213 HydrophobicContact SD-CG 3.66Å; M209-Q213 PolarHBondContact SD-NE2 3.05Å; M209-M228 HydrophobicContact CE-CE 3.52Å; M209-M228 HydrophobicContact CE-SD 3.07Å; M209-M228 WeakPolarHBondContact CE-SD 3.14Å
210E97.6Very high96.6Very high62 Ų6254.3 Ų54.329%0.2929%0.288SS..Hα-helixtrans-59.3-42.8172.1-178.2168.8-160.900111.6V106 D206 M207 F212 Q213 K214V106-E210 HydrophobicContact CG1-CG 4.11Å; D206-E210 WeakPolarHBondContact O-CB 3.48Å; D206-E210 PolarHBondContact O-N 3.48Å; M207-E210 PolarHBondContact O-N 3.23Å; E210-F212 PolarHBondContact O-N 3.46Å; E210-Q213 PolarHBondContact O-N 2.83Å; E210-K214 HydrophobicContact CG-CD 3.82Å; E210-K214 HydrophobicContact CG-CG 4.35Å; E210-K214 WeakPolarHBondContact O-CB 3.44Å; E210-K214 PolarHBondContact O-N 3.22Å; E210-K214 IonicContact OE1-NZ 2.69Å; E210-K214 PolarHBondContact OE1-NZ 3.47Å
211I97.4Very high96.6Very high13 Ų1358 Ų587%0.06730%0.303CS..Hα-helixtrans-56.4-51.8174.3-71.3164.2000111.1V106 I109 L169 M207 Q208 M209 Q213 T215 I220V106-I211 HydrophobicContact CG2-CD1 4.03Å; V106-I211 HydrophobicContact CG2-CG1 3.73Å; I109-I211 VanDerWaalsContact CD1-CA 3.47Å; I109-I211 HydrophobicContact CD1-CB 4.3Å; I109-I211 HydrophobicContact CD1-CG1 4.09Å; L169-I211 HydrophobicContact CD2-CD1 4.43Å; M207-I211 HydrophobicContact CG-CD1 4.39Å; M207-I211 WeakPolarHBondContact O-CG1 3.46Å; M207-I211 PolarHBondContact O-N 2.86Å; Q208-I211 PolarHBondContact O-N 2.61Å; M209-I211 VanDerWaalsContact C-N 3.31Å; M209-I211 PolarHBondContact O-N 3.38Å; I211-Q213 VanDerWaalsContact C-N 3.31Å; I211-Q213 PolarHBondContact O-N 3.28Å; I211-T215 WeakPolarHBondContact O-CB 3.24Å; I211-T215 WeakPolarHBondContact O-CG2 3.45Å; I211-T215 PolarHBondContact O-N 3.13Å; I211-T215 VanDerWaalsContact O-N 3.08Å; I211-I220 HydrophobicContact CG2-CG2 3.85Å
212F97.1Very high96.8Very high47 Ų4762.4 Ų62.421%0.20632%0.315CS..Hα-helixtrans-57.8-43.8178.3169.8-117.1000112.7Q208 M209 E210 K221 K225 M228Q208-F212 PolarHBondContact O-N 2.99Å; M209-F212 HydrophobicContact CE-CB 4.05Å; M209-F212 HydrophobicContact CE-CD1 3.52Å; M209-F212 HydrophobicContact CE-CE1 4.37Å; M209-F212 HydrophobicContact CE-CG 4.15Å; M209-F212 PolarHBondContact O-N 3.47Å; M209-F212 HydrophobicContact SD-CD1 3.81Å; E210-F212 PolarHBondContact O-N 3.46Å; F212-K221 HydrophobicContact CD2-CG 4Å; F212-K221 WeakPolarHBondContact CD2-O 3.36Å; F212-K221 HydrophobicContact CE2-CG 3.88Å; F212-K225 HydrophobicContact CD2-CB 4.31Å; F212-K225 HydrophobicContact CE2-CB 3.73Å; F212-K225 HydrophobicContact CE2-CG 4.45Å; F212-K225 HydrophobicContact CZ-CB 4.41Å; F212-M228 HydrophobicContact CB-CE 3.77Å; F212-M228 HydrophobicContact CD1-CE 3.5Å; F212-M228 HydrophobicContact CD2-CE 3.77Å; F212-M228 HydrophobicContact CE1-CE 3.95Å; F212-M228 HydrophobicContact CE2-CE 4.24Å; F212-M228 HydrophobicContact CG-CE 3.36Å; F212-M228 HydrophobicContact CZ-CE 4.29Å
213Q97.3Very high97Very high116 Ų11665.5 Ų65.554%0.54232%0.32SS..Hα-helixtrans-74-43.2-173.9-72.8176.5-12.500112.7M209 E210 I211M209-Q213 HydrophobicContact CG-CG 4.48Å; M209-Q213 WeakPolarHBondContact O-CB 3.47Å; M209-Q213 WeakPolarHBondContact O-CG 3.08Å; M209-Q213 PolarHBondContact O-N 3.39Å; M209-Q213 VanDerWaalsContact SD-CD 3.6Å; M209-Q213 HydrophobicContact SD-CG 3.66Å; M209-Q213 PolarHBondContact SD-NE2 3.05Å; E210-Q213 PolarHBondContact O-N 2.83Å; I211-Q213 VanDerWaalsContact C-N 3.31Å; I211-Q213 PolarHBondContact O-N 3.28Å
214K97.6Very high97Very high102 Ų10265.2 Ų65.244%0.44332%0.318SS..Hα-helixtrans-103.1-15.6-166.5-61.7-173.4-175.51720114.9I109 D110 E210 H216I109-K214 CarbonylContact C-O 3.59Å; I109-K214 HydrophobicContact CD1-CB 3.98Å; I109-K214 HydrophobicContact CG1-CB 3.82Å; D110-K214 WeakPolarHBondContact CA-O 3.48Å; D110-K214 WeakPolarHBondContact CB-O 3.44Å; D110-K214 PolarHBondContact N-O 3.32Å; E210-K214 HydrophobicContact CG-CD 3.82Å; E210-K214 HydrophobicContact CG-CG 4.35Å; E210-K214 WeakPolarHBondContact O-CB 3.44Å; E210-K214 PolarHBondContact O-N 3.22Å; E210-K214 IonicContact OE1-NZ 2.69Å; E210-K214 PolarHBondContact OE1-NZ 3.47Å; K214-H216 PolarHBondContact O-N 3.46Å
215T97.8Very high97Very high9 Ų966.4 Ų66.46%0.05531%0.314CS..  trans-56.8133.4-177.9-173.80000112.6I109 S168 I211 S217 I220 K221I109-T215 CarbonylContact O-C 3.59Å; I109-T215 WeakPolarHBondContact O-CA 3.32Å; S168-T215 WeakPolarHBondContact CB-OG1 3.34Å; S168-T215 PolarHBondContact OG-OG1 3.35Å; I211-T215 WeakPolarHBondContact O-CB 3.24Å; I211-T215 WeakPolarHBondContact O-CG2 3.45Å; I211-T215 PolarHBondContact O-N 3.13Å; I211-T215 VanDerWaalsContact O-N 3.08Å; T215-S217 VanDerWaalsContact C-N 3.27Å; T215-S217 PolarHBondContact OG1-N 3.25Å; T215-I220 HydrophobicContact CG2-CB 4.24Å; T215-I220 HydrophobicContact CG2-CG2 4.14Å; T215-K221 HydrophobicContact CG2-CB 3.81Å; T215-K221 HydrophobicContact CG2-CG 4.43Å
216H96.2Very high97Very high73 Ų7368.3 Ų68.334%0.33832%0.323SS..SBendtrans-76.1-1517274.381.4000113.2I109 L111 S168 H170 K214I109-H216 PolarHBondContact O-CD2 3.01Å; I109-H216 VanDerWaalsContact O-CD2 3.3Å; I109-H216 PolarHBondContact O-N 3.25Å; L111-H216 PolarHBondContact O-CD2 3.5Å; L111-H216 PolarHBondContact O-NE2 2.86Å; S168-H216 WeakPolarHBondContact CA-NE2 3.18Å; S168-H216 PolarHBondContact OG-CD2 3.48Å; S168-H216 PolarHBondContact OG-N 3.45Å; H170-H216 AromaticContact NE2-NE2 3.62Å; K214-H216 PolarHBondContact O-N 3.46Å
217S97.3Very high97Very high17 Ų1763.9 Ų63.912%0.11930%0.3CS..  trans-86.4114.9-179179.50000111.7T215 K219 I220 K221T215-S217 VanDerWaalsContact C-N 3.27Å; T215-S217 PolarHBondContact OG1-N 3.25Å; S217-K219 VanDerWaalsContact C-N 3.25Å; S217-K219 PolarHBondContact O-N 3.46Å; S217-I220 PolarHBondContact O-N 3.07Å; S217-I220 VanDerWaalsContact O-N 3.13Å; S217-I220 PolarHBondContact OG-N 3.27Å; S217-K221 PolarHBondContact O-N 2.85Å
218T96.8Very high96.8Very high98 Ų9863.7 Ų63.760%0.60130%0.299SS*.Hα-helixtrans-54.3-42.3174.1-44.10000111.9I220 K221 E222T218-I220 PolarHBondContact O-N 2.9Å; T218-K221 WeakPolarHBondContact O-CB 3.47Å; T218-K221 PolarHBondContact O-N 2.85Å; T218-E222 WeakPolarHBondContact O-CG 3.45Å; T218-E222 PolarHBondContact O-N 2.91Å
219K96.7Very high96.8Very high153 Ų15368 Ų6867%0.66532%0.322SS*.Hα-helixtrans-59.9-44.9177.8-177.9-179.9178.3-178.60112.4S217 K221 W223S217-K219 VanDerWaalsContact C-N 3.25Å; S217-K219 PolarHBondContact O-N 3.46Å; K219-K221 VanDerWaalsContact C-N 3.32Å; K219-W223 WeakPolarHBondContact O-CB 3.42Å; K219-W223 PolarHBondContact O-N 3.07Å
220I97.1Very high96.8Very high16 Ų1671.4 Ų71.48%0.08234%0.335CS..Hα-helixtrans-70.2-34178.6-60.9-54.8000111I166 P167 L169 I211 T215 S217 T218 S224I166-I220 HydrophobicContact CG2-CD1 3.53Å; I166-I220 HydrophobicContact CG2-CG1 4.17Å; P167-I220 WeakPolarHBondContact O-CG1 3.38Å; L169-I220 HydrophobicContact CD1-CG2 4.34Å; I211-I220 HydrophobicContact CG2-CG2 3.85Å; T215-I220 HydrophobicContact CG2-CB 4.24Å; T215-I220 HydrophobicContact CG2-CG2 4.14Å; S217-I220 PolarHBondContact O-N 3.07Å; S217-I220 VanDerWaalsContact O-N 3.13Å; S217-I220 PolarHBondContact OG-N 3.27Å; T218-I220 PolarHBondContact O-N 2.9Å; I220-S224 VanDerWaalsContact O-CB 3.27Å; I220-S224 WeakPolarHBondContact O-CB 3.48Å; I220-S224 PolarHBondContact O-N 3.05Å; I220-S224 PolarHBondContact O-OG 3.34Å
221K97.1Very high96.6Very high90 Ų9073.3 Ų73.339%0.39136%0.356SS..Hα-helixtrans-63.5-47.3174.7-165.1164.6-162.7162.80111.8F212 T215 S217 T218 K219 S224 K225F212-K221 HydrophobicContact CD2-CG 4Å; F212-K221 WeakPolarHBondContact CD2-O 3.36Å; F212-K221 HydrophobicContact CE2-CG 3.88Å; T215-K221 HydrophobicContact CG2-CB 3.81Å; T215-K221 HydrophobicContact CG2-CG 4.43Å; S217-K221 PolarHBondContact O-N 2.85Å; T218-K221 WeakPolarHBondContact O-CB 3.47Å; T218-K221 PolarHBondContact O-N 2.85Å; K219-K221 VanDerWaalsContact C-N 3.32Å; K221-S224 PolarHBondContact O-N 2.86Å; K221-K225 WeakPolarHBondContact O-CB 3.31Å; K221-K225 PolarHBondContact O-N 3.3Å
222E97.5Very high96.5Very high123 Ų12377 Ų7758%0.57538%0.379SS*.Hα-helixtrans-62.4-47.8175.9-73.1169.5179.100111.7T218 S224 K225 D226T218-E222 WeakPolarHBondContact O-CG 3.45Å; T218-E222 PolarHBondContact O-N 2.91Å; E222-S224 VanDerWaalsContact C-N 3.32Å; E222-S224 PolarHBondContact O-N 3.32Å; E222-K225 PolarHBondContact O-N 3.07Å; E222-D226 WeakPolarHBondContact O-CB 3.46Å; E222-D226 PolarHBondContact O-N 2.88Å
223W96.9Very high96.4Very high121 Ų12175.5 Ų75.546%0.45837%0.373SS..Hα-helixtrans-59.8-42.6176.4174.482.2000112.2P202 K219 D226 G227 F233P202-W223 HydrophobicContact CB-CH2 3.81Å; P202-W223 HydrophobicContact CB-CZ2 4.16Å; K219-W223 WeakPolarHBondContact O-CB 3.42Å; K219-W223 PolarHBondContact O-N 3.07Å; W223-D226 PolarHBondContact O-N 2.67Å; W223-G227 PolarHBondContact O-N 3.27Å; W223-F233 HydrophobicContact CD2-CZ 4.46Å; W223-F233 HydrophobicContact CE3-CZ 4.17Å; W223-F233 HydrophobicContact CH2-CD1 4.49Å; W223-F233 AromaticContact CH2-CE1 3.53Å; W223-F233 HydrophobicContact CH2-CE1 3.53Å; W223-F233 AromaticContact CH2-CZ 3.76Å; W223-F233 HydrophobicContact CH2-CZ 3.76Å; W223-F233 AromaticContact CZ2-CE1 3.53Å; W223-F233 HydrophobicContact CZ2-CE1 3.53Å; W223-F233 HydrophobicContact CZ2-CZ 4.06Å; W223-F233 HydrophobicContact CZ3-CE1 4.09Å; W223-F233 AromaticContact CZ3-CZ 3.82Å; W223-F233 HydrophobicContact CZ3-CZ 3.82Å
224S96.4Very high96.2Very high0 Ų071.2 Ų71.20%036%0.357CS..Hα-helixtrans-65.1-42.3177.9-58.40000111.3Q208 I220 K221 E222 M228Q208-S224 PolarHBondContact NE2-OG 3.42Å; I220-S224 VanDerWaalsContact O-CB 3.27Å; I220-S224 WeakPolarHBondContact O-CB 3.48Å; I220-S224 PolarHBondContact O-N 3.05Å; I220-S224 PolarHBondContact O-OG 3.34Å; K221-S224 PolarHBondContact O-N 2.86Å; E222-S224 VanDerWaalsContact C-N 3.32Å; E222-S224 PolarHBondContact O-N 3.32Å; S224-M228 WeakPolarHBondContact O-CE 3.47Å; S224-M228 VanDerWaalsContact O-CG 3.26Å; S224-M228 WeakPolarHBondContact O-CG 3.42Å; S224-M228 PolarHBondContact O-N 3.21Å; S224-M228 VanDerWaalsContact O-N 3.13Å
225K96.8Very high96.2Very high99 Ų9969.8 Ų69.843%0.4336%0.357SS..Hα-helixtrans-60.4-50.1175.2-179.2165.8172.746.10111.5F212 K221 E222 G227 M228 D229F212-K225 HydrophobicContact CD2-CB 4.31Å; F212-K225 HydrophobicContact CE2-CB 3.73Å; F212-K225 HydrophobicContact CE2-CG 4.45Å; F212-K225 HydrophobicContact CZ-CB 4.41Å; K221-K225 WeakPolarHBondContact O-CB 3.31Å; K221-K225 PolarHBondContact O-N 3.3Å; E222-K225 PolarHBondContact O-N 3.07Å; K225-G227 VanDerWaalsContact C-N 3.34Å; K225-G227 PolarHBondContact O-N 3.23Å; K225-M228 PolarHBondContact O-N 3.19Å; K225-D229 WeakPolarHBondContact CE-OD2 3.35Å; K225-D229 WeakPolarHBondContact CG-OD2 3.35Å; K225-D229 IonicContact NZ-OD1 2.86Å; K225-D229 PolarHBondContact NZ-OD1 3.19Å; K225-D229 IonicContact NZ-OD2 3.48Å; K225-D229 PolarHBondContact NZ-OD2 3.3Å; K225-D229 WeakPolarHBondContact O-CB 3.36Å; K225-D229 VanDerWaalsContact O-CG 3.28Å; K225-D229 PolarHBondContact O-N 3.26Å
226D96.9Very high96.2Very high69 Ų6969.8 Ų69.837%0.36936%0.357SS..Hα-helixtrans-58.9-46.4-178.9-166.767.4000111.5E222 W223 M228 D229 K230E222-D226 WeakPolarHBondContact O-CB 3.46Å; E222-D226 PolarHBondContact O-N 2.88Å; W223-D226 PolarHBondContact O-N 2.67Å; D226-M228 VanDerWaalsContact C-N 3.32Å; D226-M228 PolarHBondContact O-N 2.89Å; D226-D229 PolarHBondContact O-N 2.81Å; D226-K230 VanDerWaalsContact O-CB 3.31Å; D226-K230 WeakPolarHBondContact O-CB 3.47Å; D226-K230 WeakPolarHBondContact O-CG 3.24Å; D226-K230 PolarHBondContact O-N 3.19Å; D226-K230 WeakPolarHBondContact OD1-CE 3.41Å; D226-K230 IonicContact OD1-NZ 2.9Å; D226-K230 PolarHBondContact OD1-NZ 3.39Å; D226-K230 IonicContact OD2-NZ 3.76Å; D226-K230 PolarHBondContact OD2-NZ 3.08Å
227G95.3Very high96.2Very high2 Ų272.2 Ų72.22%0.02137%0.369CS..Hα-helixtrans-68.3-29.3-17900000114.1W223 K225 S231 T232W223-G227 PolarHBondContact O-N 3.27Å; K225-G227 VanDerWaalsContact C-N 3.34Å; K225-G227 PolarHBondContact O-N 3.23Å; G227-S231 CarbonylContact O-C 3.49Å; G227-S231 WeakPolarHBondContact O-CA 3.2Å; G227-S231 PolarHBondContact O-N 3.45Å; G227-S231 VanDerWaalsContact O-N 3.07Å; G227-T232 WeakPolarHBondContact CA-OG1 3.47Å; G227-T232 PolarHBondContact O-N 3.12Å
228M94.2Very high96.2Very high51 Ų5175.5 Ų75.525%0.25138%0.381SS..Hα-helixtrans-74.5-49.1171.2-68-176.9-60.100112M209 F212 S224 K225 D226 K230 S231 F233M209-M228 HydrophobicContact CE-CE 3.52Å; M209-M228 HydrophobicContact CE-SD 3.07Å; M209-M228 WeakPolarHBondContact CE-SD 3.14Å; F212-M228 HydrophobicContact CB-CE 3.77Å; F212-M228 HydrophobicContact CD1-CE 3.5Å; F212-M228 HydrophobicContact CD2-CE 3.77Å; F212-M228 HydrophobicContact CE1-CE 3.95Å; F212-M228 HydrophobicContact CE2-CE 4.24Å; F212-M228 HydrophobicContact CG-CE 3.36Å; F212-M228 HydrophobicContact CZ-CE 4.29Å; S224-M228 WeakPolarHBondContact O-CE 3.47Å; S224-M228 VanDerWaalsContact O-CG 3.26Å; S224-M228 WeakPolarHBondContact O-CG 3.42Å; S224-M228 PolarHBondContact O-N 3.21Å; S224-M228 VanDerWaalsContact O-N 3.13Å; K225-M228 PolarHBondContact O-N 3.19Å; D226-M228 VanDerWaalsContact C-N 3.32Å; D226-M228 PolarHBondContact O-N 2.89Å; M228-K230 VanDerWaalsContact C-N 3.25Å; M228-K230 PolarHBondContact O-N 2.99Å; M228-S231 PolarHBondContact O-N 3.27Å; M228-S231 VanDerWaalsContact O-N 3.12Å; M228-F233 HydrophobicContact CG-CD2 4.05Å; M228-F233 HydrophobicContact CG-CE2 3.82Å
229D96.1Very high96.2Very high104 Ų10470.8 Ų70.856%0.55635%0.352SS*.Hα-helixtrans-61-36.5-178.5-71-10.2000111.2K225 D226K225-D229 WeakPolarHBondContact CE-OD2 3.35Å; K225-D229 WeakPolarHBondContact CG-OD2 3.35Å; K225-D229 IonicContact NZ-OD1 2.86Å; K225-D229 PolarHBondContact NZ-OD1 3.19Å; K225-D229 IonicContact NZ-OD2 3.48Å; K225-D229 PolarHBondContact NZ-OD2 3.3Å; K225-D229 WeakPolarHBondContact O-CB 3.36Å; K225-D229 VanDerWaalsContact O-CG 3.28Å; K225-D229 PolarHBondContact O-N 3.26Å; D226-D229 PolarHBondContact O-N 2.81Å
230K96.6Very high96.3Very high134 Ų13463.6 Ų63.658%0.58332%0.321SS*.THydrogen-bonded Turntrans-95.31.2178.5-64.3176.6-177.2159.40114.3D226 M228 T232D226-K230 VanDerWaalsContact O-CB 3.31Å; D226-K230 WeakPolarHBondContact O-CB 3.47Å; D226-K230 WeakPolarHBondContact O-CG 3.24Å; D226-K230 PolarHBondContact O-N 3.19Å; D226-K230 WeakPolarHBondContact OD1-CE 3.41Å; D226-K230 IonicContact OD1-NZ 2.9Å; D226-K230 PolarHBondContact OD1-NZ 3.39Å; D226-K230 IonicContact OD2-NZ 3.76Å; D226-K230 PolarHBondContact OD2-NZ 3.08Å; M228-K230 VanDerWaalsContact C-N 3.25Å; M228-K230 PolarHBondContact O-N 2.99Å; K230-T232 VanDerWaalsContact C-N 3.26Å; K230-T232 HydrophobicContact CB-CG2 3.83Å; K230-T232 PolarHBondContact O-N 3.3Å
231S94.1Very high96.3Very high103 Ų10366.9 Ų66.972%0.7234%0.336SS*.THydrogen-bonded Turntrans52.740.1-178.7-57.70000113.9G227 M228 F233G227-S231 CarbonylContact O-C 3.49Å; G227-S231 WeakPolarHBondContact O-CA 3.2Å; G227-S231 PolarHBondContact O-N 3.45Å; G227-S231 VanDerWaalsContact O-N 3.07Å; M228-S231 PolarHBondContact O-N 3.27Å; M228-S231 VanDerWaalsContact O-N 3.12Å; S231-F233 VanDerWaalsContact C-N 3.35Å
232T94.3Very high96.2Very high90 Ų9065.2 Ų65.255%0.55233%0.329SS*.  trans-84.7-10.1179.665.70000113.1G227 K230G227-T232 WeakPolarHBondContact CA-OG1 3.47Å; G227-T232 PolarHBondContact O-N 3.12Å; K230-T232 VanDerWaalsContact C-N 3.26Å; K230-T232 HydrophobicContact CB-CG2 3.83Å; K230-T232 PolarHBondContact O-N 3.3Å
233F94.6Very high96.2Very high16 Ų1659.3 Ų59.37%0.0730%0.301CS..SBendtrans-81.3139.6175.2-58.2-27.3000110.7P202 Q208 W223 M228 S231P202-F233 HydrophobicContact CB-CD1 3.63Å; P202-F233 HydrophobicContact CB-CE1 3.99Å; P202-F233 HydrophobicContact CB-CG 4.32Å; P202-F233 HydrophobicContact CG-CD1 3.96Å; P202-F233 HydrophobicContact CG-CE1 4.45Å; Q208-F233 HydrophobicContact CG-CD2 3.73Å; Q208-F233 HydrophobicContact CG-CE2 3.66Å; W223-F233 HydrophobicContact CD2-CZ 4.46Å; W223-F233 HydrophobicContact CE3-CZ 4.17Å; W223-F233 HydrophobicContact CH2-CD1 4.49Å; W223-F233 AromaticContact CH2-CE1 3.53Å; W223-F233 HydrophobicContact CH2-CE1 3.53Å; W223-F233 AromaticContact CH2-CZ 3.76Å; W223-F233 HydrophobicContact CH2-CZ 3.76Å; W223-F233 AromaticContact CZ2-CE1 3.53Å; W223-F233 HydrophobicContact CZ2-CE1 3.53Å; W223-F233 HydrophobicContact CZ2-CZ 4.06Å; W223-F233 HydrophobicContact CZ3-CE1 4.09Å; W223-F233 AromaticContact CZ3-CZ 3.82Å; W223-F233 HydrophobicContact CZ3-CZ 3.82Å; M228-F233 HydrophobicContact CG-CD2 4.05Å; M228-F233 HydrophobicContact CG-CE2 3.82Å; S231-F233 VanDerWaalsContact C-N 3.35Å
234A95Very high96.2Very high26 Ų2653.7 Ų53.722%0.21528%0.28CS..BIsolated β-bridgetrans-62.6151.6177.100000111.1P202 V203 S204 F238 V239P202-A234 PolarHBondContact O-N 3.07Å; V203-A234 CarbonylContact C-O 3.51Å; V203-A234 WeakPolarHBondContact CA-O 3.44Å; V203-A234 VanDerWaalsContact CG1-O 3.31Å; V203-A234 WeakPolarHBondContact CG1-O 3.4Å; S204-A234 PolarHBondContact N-O 2.92Å; A234-F238 HydrophobicContact CB-CD1 3.9Å; A234-V239 HydrophobicContact CB-CG2 3.97Å
235T96.8Very high96.2Very high71 Ų7156.1 Ų56.144%0.43629%0.293SS..PPolyproline II helixtrans-79.9156.8167.666.50000110.2E237 F238 V239T235-E237 WeakPolarHBondContact CB-OE2 3.25Å; T235-E237 PolarHBondContact O-N 2.66Å; T235-F238 PolarHBondContact O-N 3.43Å; T235-F238 WeakPolarHBondContact OG1-CB 3.33Å; T235-F238 PolarHBondContact OG1-N 2.89Å; T235-F238 VanDerWaalsContact OG1-N 3.11Å; T235-V239 WeakPolarHBondContact O-CG2 3.36Å; T235-V239 PolarHBondContact O-N 2.74Å; T235-V239 VanDerWaalsContact O-N 3.12Å
236S97.4Very high96.1Very high10 Ų1051.6 Ų51.67%0.0727%0.274CS..Hα-helixtrans-63.8-32176.2-63.70000111.2A22 T205 V239 A240A22-S236 VanDerWaalsContact CB-C 3.41Å; A22-S236 WeakPolarHBondContact CB-O 3.35Å; T205-S236 WeakPolarHBondContact CG2-OG 3.07Å; S236-V239 PolarHBondContact O-N 2.82Å; S236-A240 WeakPolarHBondContact O-CB 3.46Å; S236-A240 PolarHBondContact O-N 2.95Å
237E97.2Very high96Very high124 Ų12448.4 Ų48.458%0.57926%0.257SS*.Hα-helixtrans-65.5-43.5176.3-65.270.2-15500111.9T235 A240 E241T235-E237 WeakPolarHBondContact CB-OE2 3.25Å; T235-E237 PolarHBondContact O-N 2.66Å; E237-A240 PolarHBondContact O-N 3.4Å; E237-E241 PolarHBondContact O-N 2.96Å
238F96.7Very high96.1Very high85 Ų8554.4 Ų54.437%0.37328%0.282SS..Hα-helixtrans-62.8-44175.4175-96.8000111.1A234 T235 A240 E241 K242A234-F238 HydrophobicContact CB-CD1 3.9Å; T235-F238 PolarHBondContact O-N 3.43Å; T235-F238 WeakPolarHBondContact OG1-CB 3.33Å; T235-F238 PolarHBondContact OG1-N 2.89Å; T235-F238 VanDerWaalsContact OG1-N 3.11Å; F238-A240 VanDerWaalsContact C-N 3.32Å; F238-A240 PolarHBondContact O-N 3.16Å; F238-E241 WeakPolarHBondContact O-CB 3.49Å; F238-E241 PolarHBondContact O-N 3.18Å; F238-K242 HydrophobicContact CD1-CG 4.32Å; F238-K242 HydrophobicContact CE1-CG 3.89Å; F238-K242 VanDerWaalsContact CE2-CE 3.46Å; F238-K242 HydrophobicContact CE2-CG 4.36Å; F238-K242 HydrophobicContact CZ-CD 4.26Å; F238-K242 HydrophobicContact CZ-CG 3.92Å; F238-K242 WeakPolarHBondContact O-CG 3.13Å; F238-K242 PolarHBondContact O-N 3.47Å
239V96.8Very high96.1Very high0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-61-43.2175.8171.70000111.1I19 F198 P200 V203 A234 T235 S236 E241 K242 F243I19-V239 HydrophobicContact CG2-CG1 4.06Å; F198-V239 HydrophobicContact CE1-CG1 4.06Å; P200-V239 HydrophobicContact CB-CG1 3.47Å; P200-V239 VanDerWaalsContact CB-CG1 3.47Å; P200-V239 HydrophobicContact CB-CG2 4.19Å; P200-V239 WeakPolarHBondContact O-CG2 3.33Å; V203-V239 HydrophobicContact CG1-CG2 4.09Å; V203-V239 HydrophobicContact CG2-CG2 3.73Å; A234-V239 HydrophobicContact CB-CG2 3.97Å; T235-V239 WeakPolarHBondContact O-CG2 3.36Å; T235-V239 PolarHBondContact O-N 2.74Å; T235-V239 VanDerWaalsContact O-N 3.12Å; S236-V239 PolarHBondContact O-N 2.82Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 2.98Å; V239-K242 PolarHBondContact O-N 3.4Å; V239-F243 WeakPolarHBondContact O-CB 3.14Å; V239-F243 PolarHBondContact O-N 3.13Å
240A97.8Very high96Very high1 Ų152.2 Ų52.21%0.00826%0.264CS..Hα-helixtrans-63.5-36.3177.200000112.5A22 I23 K26 S236 E237 F238 F243 V244A22-A240 VanDerWaalsContact C-CB 3.44Å; A22-A240 HydrophobicContact CB-CB 3.91Å; A22-A240 WeakPolarHBondContact O-CB 3.5Å; I23-A240 HydrophobicContact CG1-CB 4.13Å; K26-A240 HydrophobicContact CB-CB 3.82Å; K26-A240 HydrophobicContact CG-CB 4.34Å; S236-A240 WeakPolarHBondContact O-CB 3.46Å; S236-A240 PolarHBondContact O-N 2.95Å; E237-A240 PolarHBondContact O-N 3.4Å; F238-A240 VanDerWaalsContact C-N 3.32Å; F238-A240 PolarHBondContact O-N 3.16Å; A240-F243 PolarHBondContact O-N 3.43Å; A240-V244 WeakPolarHBondContact O-CG2 3.34Å; A240-V244 PolarHBondContact O-N 3.38Å
241E96.9Very high95.9Very high85 Ų8550.7 Ų50.740%0.39726%0.263SS..Hα-helixtrans-63.7-49.5172.6-179.6170.6-146.500111.8E237 F238 V239 F243 V244 D245E237-E241 PolarHBondContact O-N 2.96Å; F238-E241 WeakPolarHBondContact O-CB 3.49Å; F238-E241 PolarHBondContact O-N 3.18Å; V239-E241 VanDerWaalsContact C-N 3.31Å; V239-E241 PolarHBondContact O-N 2.98Å; E241-F243 VanDerWaalsContact C-N 3.26Å; E241-F243 PolarHBondContact O-N 3.28Å; E241-V244 PolarHBondContact O-N 3.5Å; E241-D245 PolarHBondContact O-N 3.04Å
242K96.4Very high95.8Very high55 Ų5546.1 Ų46.124%0.23923%0.23CC..Hα-helixtrans-62.2-35.1176.7-64.5-56.6177-164.70113F198 F238 V239 D245 C246 A260F198-K242 HydrophobicContact CZ-CB 4.41Å; F238-K242 HydrophobicContact CD1-CG 4.32Å; F238-K242 HydrophobicContact CE1-CG 3.89Å; F238-K242 VanDerWaalsContact CE2-CE 3.46Å; F238-K242 HydrophobicContact CE2-CG 4.36Å; F238-K242 HydrophobicContact CZ-CD 4.26Å; F238-K242 HydrophobicContact CZ-CG 3.92Å; F238-K242 WeakPolarHBondContact O-CG 3.13Å; F238-K242 PolarHBondContact O-N 3.47Å; V239-K242 PolarHBondContact O-N 3.4Å; K242-D245 PolarHBondContact O-N 3.27Å; K242-C246 WeakPolarHBondContact O-CB 3.33Å; K242-C246 PolarHBondContact O-N 3.44Å; K242-A260 HydrophobicContact CB-CB 4.01Å; K242-A260 HydrophobicContact CG-CB 4.32Å; K242-A260 WeakPolarHBondContact CG-O 3.42Å
243F96.7Very high95.8Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-62.7-48.9173.7178.8-103.6000111.8I23 I100 V155 L196 F198 V239 A240 E241 D245 C246 L247I23-F243 HydrophobicContact CD1-CB 4.47Å; I23-F243 HydrophobicContact CD1-CD1 4.12Å; I23-F243 HydrophobicContact CD1-CD2 4.49Å; I23-F243 HydrophobicContact CD1-CG 4.07Å; I23-F243 HydrophobicContact CG1-CB 4.47Å; I23-F243 HydrophobicContact CG1-CD1 4.11Å; I23-F243 HydrophobicContact CG1-CG 4.34Å; I23-F243 HydrophobicContact CG2-CD1 3.82Å; I23-F243 HydrophobicContact CG2-CE1 3.81Å; I100-F243 HydrophobicContact CD1-CE1 3.57Å; I100-F243 HydrophobicContact CD1-CZ 3.6Å; I100-F243 HydrophobicContact CG1-CZ 4.05Å; V155-F243 HydrophobicContact CG1-CE2 3.65Å; V155-F243 HydrophobicContact CG1-CZ 4.13Å; V155-F243 HydrophobicContact CG2-CE2 4.28Å; V155-F243 HydrophobicContact CG2-CZ 4.21Å; L196-F243 HydrophobicContact CD2-CE2 4.38Å; F198-F243 HydrophobicContact CD1-CD2 4.04Å; F198-F243 HydrophobicContact CD2-CD2 4.19Å; F198-F243 HydrophobicContact CE1-CB 4.12Å; F198-F243 HydrophobicContact CE1-CD2 4.22Å; F198-F243 HydrophobicContact CE2-CB 4.49Å; F198-F243 HydrophobicContact CE2-CD2 4.37Å; F198-F243 HydrophobicContact CG-CD2 4.01Å; F198-F243 HydrophobicContact CZ-CB 3.97Å; F198-F243 HydrophobicContact CZ-CD2 4.38Å; V239-F243 WeakPolarHBondContact O-CB 3.14Å; V239-F243 PolarHBondContact O-N 3.13Å; A240-F243 PolarHBondContact O-N 3.43Å; E241-F243 VanDerWaalsContact C-N 3.26Å; E241-F243 PolarHBondContact O-N 3.28Å; F243-D245 VanDerWaalsContact C-N 3.33Å; F243-D245 PolarHBondContact O-N 3.4Å; F243-C246 WeakPolarHBondContact O-CB 3.27Å; F243-C246 PolarHBondContact O-N 2.91Å; F243-L247 HydrophobicContact CD1-CD1 4.27Å; F243-L247 HydrophobicContact CE1-CD1 3.51Å; F243-L247 HydrophobicContact CE1-CG 4.11Å; F243-L247 HydrophobicContact CE2-CD2 4.41Å; F243-L247 HydrophobicContact CE2-CG 4.42Å; F243-L247 HydrophobicContact CZ-CD1 3.69Å; F243-L247 HydrophobicContact CZ-CD2 4.15Å; F243-L247 HydrophobicContact CZ-CG 4.01Å; F243-L247 PolarHBondContact O-N 3.45Å; F243-L247 VanDerWaalsContact O-N 3.08Å
244V97Very high95.9Very high3 Ų349.8 Ų49.82%0.01825%0.246CC..Hα-helixtrans-61.8-41176.1167.80000111.4L4 K26 L27 H30 A240 E241 C246 L247 K248L4-V244 HydrophobicContact CD1-CG1 3.64Å; K26-V244 HydrophobicContact CB-CG2 4.48Å; K26-V244 HydrophobicContact CG-CG2 3.84Å; L27-V244 HydrophobicContact CD1-CG2 4.26Å; H30-V244 HydrophobicContact CB-CG1 4.45Å; A240-V244 WeakPolarHBondContact O-CG2 3.34Å; A240-V244 PolarHBondContact O-N 3.38Å; E241-V244 PolarHBondContact O-N 3.5Å; V244-C246 VanDerWaalsContact C-N 3.3Å; V244-C246 PolarHBondContact O-N 3.27Å; V244-L247 PolarHBondContact O-N 2.85Å; V244-K248 WeakPolarHBondContact O-CB 3.48Å; V244-K248 PolarHBondContact O-N 3.28Å
245D95.7Very high96Very high51 Ų5148.7 Ų48.727%0.27324%0.238SC..Hα-helixtrans-59.6-40.9175-76-20.4000111.9E241 K242 F243 K248 R249E241-D245 PolarHBondContact O-N 3.04Å; K242-D245 PolarHBondContact O-N 3.27Å; F243-D245 VanDerWaalsContact C-N 3.33Å; F243-D245 PolarHBondContact O-N 3.4Å; D245-K248 WeakPolarHBondContact O-CB 3.38Å; D245-K248 PolarHBondContact O-N 2.92Å; D245-R249 WeakPolarHBondContact O-CG 3.26Å; D245-R249 PolarHBondContact O-N 3.01Å
246C95.4Very high95.7Very high4 Ų446.2 Ų46.23%0.02722%0.224CC..Hα-helixtrans-60.6-47.3175.3-176.10000111.4F198 K242 F243 V244 K248 R249 N250F198-C246 HydrophobicContact CE2-CB 4.33Å; K242-C246 WeakPolarHBondContact O-CB 3.33Å; K242-C246 PolarHBondContact O-N 3.44Å; F243-C246 WeakPolarHBondContact O-CB 3.27Å; F243-C246 PolarHBondContact O-N 2.91Å; V244-C246 VanDerWaalsContact C-N 3.3Å; V244-C246 PolarHBondContact O-N 3.27Å; C246-K248 VanDerWaalsContact C-N 3.31Å; C246-K248 PolarHBondContact O-N 3.3Å; C246-R249 PolarHBondContact O-N 3.16Å; C246-N250 PolarHBondContact O-N 2.69Å
247L95.8Very high95.2Very high1 Ų146.5 Ų46.51%0.00522%0.224CC..Hα-helixtrans-65.3-33.5176.4-63-172.8000113L3 L4 L27 L98 F243 V244L3-L247 HydrophobicContact CB-CB 4.43Å; L3-L247 WeakPolarHBondContact CB-O 3.45Å; L3-L247 HydrophobicContact CD1-CB 4.47Å; L3-L247 HydrophobicContact CD1-CD2 3.87Å; L3-L247 PolarHBondContact N-O 3.06Å; L4-L247 HydrophobicContact CD2-CB 4.02Å; L4-L247 HydrophobicContact CD2-CD1 4.41Å; L4-L247 HydrophobicContact CG-CB 4.43Å; L27-L247 HydrophobicContact CD1-CD1 4.06Å; L98-L247 HydrophobicContact CD2-CD1 4.14Å; F243-L247 HydrophobicContact CD1-CD1 4.27Å; F243-L247 HydrophobicContact CE1-CD1 3.51Å; F243-L247 HydrophobicContact CE1-CG 4.11Å; F243-L247 HydrophobicContact CE2-CD2 4.41Å; F243-L247 HydrophobicContact CE2-CG 4.42Å; F243-L247 HydrophobicContact CZ-CD1 3.69Å; F243-L247 HydrophobicContact CZ-CD2 4.15Å; F243-L247 HydrophobicContact CZ-CG 4.01Å; F243-L247 PolarHBondContact O-N 3.45Å; F243-L247 VanDerWaalsContact O-N 3.08Å; V244-L247 PolarHBondContact O-N 2.85Å
248K96.1Very high94.7Very high128 Ų12841.1 Ų41.156%0.55720%0.2SC*.Hα-helixtrans-65.4-47.3177-171177.5176.6-178.30111.5T2 L4 V244 D245 C246T2-K248 WeakPolarHBondContact CA-O 3.45Å; T2-K248 WeakPolarHBondContact CB-O 3.07Å; T2-K248 PolarHBondContact OG1-O 3.07Å; L4-K248 HydrophobicContact CD1-CB 3.61Å; L4-K248 HydrophobicContact CD1-CG 4.07Å; L4-K248 HydrophobicContact CG-CB 4.38Å; V244-K248 WeakPolarHBondContact O-CB 3.48Å; V244-K248 PolarHBondContact O-N 3.28Å; D245-K248 WeakPolarHBondContact O-CB 3.38Å; D245-K248 PolarHBondContact O-N 2.92Å; C246-K248 VanDerWaalsContact C-N 3.31Å; C246-K248 PolarHBondContact O-N 3.3Å
249R94.8Very high94Very high96 Ų9637.8 Ų37.836%0.36219%0.187SC..Hα-helixtrans-68.7-42178.6-66.4-169.3-51.1-92.42.7111.4D245 C246 D251 N262D245-R249 WeakPolarHBondContact O-CG 3.26Å; D245-R249 PolarHBondContact O-N 3.01Å; C246-R249 PolarHBondContact O-N 3.16Å; R249-D251 HydrophobicContact CB-CB 4.45Å; R249-D251 WeakPolarHBondContact CB-OD1 3.5Å; R249-D251 IonicContact NE-OD1 2.91Å; R249-D251 IonicContact NE-OD2 2.85Å; R249-D251 PolarHBondContact NE-OD2 3.4Å; R249-D251 PolarHBondContact O-N 3.13Å; R249-N262 PolarHBondContact NH2-OD1 3.37Å
250N94.2Very high92.9Very high13 Ų1338.2 Ų38.27%0.0719%0.19CC..  trans53.134.3179.2-162.929.1000113.1M1 L3 R194 C246M1-N250 PolarHBondContact O-ND2 2.93Å; L3-N250 HydrophobicContact CD1-CB 4.49Å; L3-N250 WeakPolarHBondContact CD1-OD1 3.47Å; L3-N250 HydrophobicContact CG-CB 4.15Å; R194-N250 PolarHBondContact NE-OD1 2.96Å; R194-N250 PolarHBondContact NH1-ND2 3.41Å; R194-N250 VanDerWaalsContact NH1-ND2 3.16Å; R194-N250 PolarHBondContact NH1-O 2.95Å; R194-N250 PolarHBondContact NH1-OD1 3.24Å; R194-N250 PolarHBondContact NH2-O 2.88Å; R194-N250 PolarHBondContact NH2-OD1 2.73Å; C246-N250 PolarHBondContact O-N 2.69Å
251D93.6Very high91.4Very high103 Ų10345.5 Ų45.555%0.55122%0.224SC*.  trans-104.2-0.1-174.758.3-6.6000113.3R249R249-D251 HydrophobicContact CB-CB 4.45Å; R249-D251 WeakPolarHBondContact CB-OD1 3.5Å; R249-D251 IonicContact NE-OD1 2.91Å; R249-D251 IonicContact NE-OD2 2.85Å; R249-D251 PolarHBondContact NE-OD2 3.4Å; R249-D251 PolarHBondContact O-N 3.13Å
252F93.6Very high89.5Confident6 Ų646 Ų463%0.02623%0.23CC..SBendtrans-66.8141.1175.460.7-92.1000111.9L3 R194 V195 L196L3-F252 HydrophobicContact CD1-CE1 4.45Å; R194-F252 HydrophobicContact CB-CE2 4.34Å; R194-F252 HydrophobicContact CB-CZ 4.42Å; R194-F252 PolarHBondContact NH2-O 2.88Å; V195-F252 WeakPolarHBondContact O-CE2 3.36Å; L196-F252 HydrophobicContact CB-CD2 4.19Å; L196-F252 HydrophobicContact CB-CE2 3.88Å; L196-F252 HydrophobicContact CB-CZ 4.17Å; L196-F252 HydrophobicContact CD1-CB 4.21Å; L196-F252 HydrophobicContact CD1-CD1 4.35Å; L196-F252 HydrophobicContact CD1-CD2 4.03Å; L196-F252 HydrophobicContact CD1-CG 3.95Å; L196-F252 HydrophobicContact CD2-CE1 4.41Å
253E94.4Very high87.2Confident136 Ų13649.3 Ų49.364%0.63625%0.246SC*.PPolyproline II helixtrans-67.7136.2168.4179.2177.2-174.200110G255 A256E253-G255 PolarHBondContact O-N 3.41Å; E253-A256 HydrophobicContact CB-CB 3.89Å; E253-A256 HydrophobicContact CG-CB 4.44Å; E253-A256 VanDerWaalsContact O-CB 3.23Å; E253-A256 WeakPolarHBondContact O-CB 3.31Å; E253-A256 PolarHBondContact O-N 3Å; E253-A256 VanDerWaalsContact O-N 3.08Å
254S96.7Very high84.8Confident47 Ų4754.8 Ų54.833%0.32927%0.272SS..THydrogen-bonded Turntrans-64.9127.1-178.1-1600000110.4V195 A256V195-S254 PolarHBondContact N-OG 3.43Å; V195-S254 CarbonylContact O-C 3.54Å; V195-S254 WeakPolarHBondContact O-CA 3.4Å; S254-A256 VanDerWaalsContact C-N 3.29Å
255G95.5Very high82.4Confident4 Ų460.7 Ų60.74%0.04131%0.307CS..THydrogen-bonded Turntrans87.6-11.6-176.100000114.2R184 V195 N197 E253R184-G255 WeakPolarHBondContact CG-O 3.19Å; V195-G255 PolarHBondContact O-N 2.88Å; N197-G255 PolarHBondContact ND2-O 3.43Å; E253-G255 PolarHBondContact O-N 3.41Å
256A90.2Very high81.8Confident18 Ų1861.2 Ų61.215%0.14931%0.309CS..  trans-70.3154.7-177.600000113N197 E253 S254N197-A256 PolarHBondContact N-O 2.91Å; E253-A256 HydrophobicContact CB-CB 3.89Å; E253-A256 HydrophobicContact CG-CB 4.44Å; E253-A256 VanDerWaalsContact O-CB 3.23Å; E253-A256 WeakPolarHBondContact O-CB 3.31Å; E253-A256 PolarHBondContact O-N 3Å; E253-A256 VanDerWaalsContact O-N 3.08Å; S254-A256 VanDerWaalsContact C-N 3.29Å
257F87.7Confident81.1Confident17 Ų1764.2 Ų64.28%0.07532%0.324CS..EExtended strand (participates in β ladder)trans-86.8117.2172.2-169.3-86.8000109.5S158 Y163 D180 N197 N199 T259 V265S158-F257 WeakPolarHBondContact OG-CE2 3.43Å; Y163-F257 HydrophobicContact CD1-CE1 4.43Å; Y163-F257 HydrophobicContact CD1-CE2 4.37Å; Y163-F257 HydrophobicContact CD1-CZ 4.1Å; Y163-F257 HydrophobicContact CE1-CD1 4.31Å; Y163-F257 AromaticContact CE1-CE1 3.54Å; Y163-F257 HydrophobicContact CE1-CE1 3.54Å; Y163-F257 HydrophobicContact CE1-CE2 4.12Å; Y163-F257 AromaticContact CE1-CZ 3.42Å; Y163-F257 HydrophobicContact CE1-CZ 3.42Å; Y163-F257 VanDerWaalsContact CE1-CZ 3.42Å; D180-F257 WeakPolarHBondContact OD2-CD2 3.43Å; D180-F257 WeakPolarHBondContact OD2-CE2 3.4Å; N197-F257 HydrophobicContact CB-CD2 4.23Å; N197-F257 WeakPolarHBondContact O-CA 3Å; N199-F257 HydrophobicContact CB-CD1 4.44Å; N199-F257 HydrophobicContact CB-CE1 3.49Å; N199-F257 VanDerWaalsContact CB-CE1 3.49Å; N199-F257 HydrophobicContact CB-CE2 4.07Å; N199-F257 HydrophobicContact CB-CZ 3.26Å; N199-F257 WeakPolarHBondContact ND2-CE1 3.21Å; N199-F257 WeakPolarHBondContact ND2-CZ 3.32Å; F257-T259 HydrophobicContact CD1-CG2 4.38Å; F257-T259 HydrophobicContact CE1-CG2 3.95Å; F257-V265 HydrophobicContact CD1-CB 4.16Å; F257-V265 HydrophobicContact CD1-CG2 4.36Å; F257-V265 PolarHBondContact O-N 3.48Å
258C87.2Confident80.3Confident10 Ų1067.7 Ų67.77%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-118.1129.2-179.3-68.80000110L196 N197 F198 N199L196-C258 HydrophobicContact CD1-CB 3.78Å; N197-C258 PolarHBondContact O-N 3.38Å; F198-C258 CarbonylContact C-O 3.6Å; F198-C258 WeakPolarHBondContact CA-O 3.48Å; N199-C258 PolarHBondContact N-O 3.4Å
259T82.6Confident79.3Confident16 Ų1664.1 Ų64.110%0.09833%0.329CS..EExtended strand (participates in β ladder)trans-88.7155.3173.869.70000112.1N199 F257 E261 N262 Q263N199-T259 HydrophobicContact CB-CG2 4.3Å; F257-T259 HydrophobicContact CD1-CG2 4.38Å; F257-T259 HydrophobicContact CE1-CG2 3.95Å; T259-E261 PolarHBondContact O-N 3.26Å; T259-E261 VanDerWaalsContact O-N 3.13Å; T259-E261 PolarHBondContact OG1-N 3.31Å; T259-N262 PolarHBondContact O-N 3.12Å; T259-N262 PolarHBondContact OG1-N 3.46Å; T259-Q263 WeakPolarHBondContact CG2-O 3.37Å; T259-Q263 PolarHBondContact N-O 3.28Å; T259-Q263 VanDerWaalsContact N-O 3.13Å; T259-Q263 PolarHBondContact OG1-N 3.08Å; T259-Q263 PolarHBondContact OG1-O 2.71Å
260A72.8Confident78.4Confident8 Ų862.1 Ų62.17%0.06633%0.327CS..THydrogen-bonded Turntrans-59-18.7170.500000113.3F198 N199 K242 N262F198-A260 HydrophobicContact CZ-CB 3.92Å; N199-A260 PolarHBondContact O-N 2.87Å; K242-A260 HydrophobicContact CB-CB 4.01Å; K242-A260 HydrophobicContact CG-CB 4.32Å; K242-A260 WeakPolarHBondContact CG-O 3.42Å; A260-N262 VanDerWaalsContact C-N 3.34Å
261E66.9Low77.3Confident154 Ų15465.4 Ų65.472%0.7234%0.344SS*.THydrogen-bonded Turntrans-90.17.1174.8-64.1178.1-179.600113.3T259 Q263T259-E261 PolarHBondContact O-N 3.26Å; T259-E261 VanDerWaalsContact O-N 3.13Å; T259-E261 PolarHBondContact OG1-N 3.31Å; E261-Q263 VanDerWaalsContact C-N 3.34Å; E261-Q263 PolarHBondContact O-N 2.96Å
262N55.5Low76.1Confident96 Ų9662.7 Ų62.751%0.51333%0.329SS..SBendtrans63.228.5-179-59.3-30.9000115.3R249 T259 A260R249-N262 PolarHBondContact NH2-OD1 3.37Å; T259-N262 PolarHBondContact O-N 3.12Å; T259-N262 PolarHBondContact OG1-N 3.46Å; A260-N262 VanDerWaalsContact C-N 3.34Å
263Q48.4Very low74.8Confident125 Ų12567.1 Ų67.158%0.58435%0.352SS*.  trans-93.6123.3166.8-64.8-178.4-7.700108.7T259 E261T259-Q263 WeakPolarHBondContact CG2-O 3.37Å; T259-Q263 PolarHBondContact N-O 3.28Å; T259-Q263 VanDerWaalsContact N-O 3.13Å; T259-Q263 PolarHBondContact OG1-N 3.08Å; T259-Q263 PolarHBondContact OG1-O 2.71Å; E261-Q263 VanDerWaalsContact C-N 3.34Å; E261-Q263 PolarHBondContact O-N 2.96Å
264Q47.9Very low73.2Confident115 Ų11561.3 Ų61.354%0.53733%0.329SS..BIsolated β-bridgetrans-85134.9167.5-77.4178.1-13.600108.5
265V46.5Very low71Confident126 Ų12662.6 Ų62.676%0.76433%0.329SS*.  trans-122.40179-1720000109.3F257F257-V265 HydrophobicContact CD1-CB 4.16Å; F257-V265 HydrophobicContact CD1-CG2 4.36Å; F257-V265 PolarHBondContact O-N 3.48Å

Retrieved 265 of 265 residues in 389.8 ms (Link to these results)

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