A0A077ZDB4_TRITR Loading...

phosphoglycerate mutase (2,3-diphosphoglycerate-independent)

AlphaFold DB , UniProt , Accession A0A077ZDB4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 527 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M63.2Low91Very high242 Ų24269.4 Ų69.4100%1.19234%0.342SS*.  0137.20-77.6178.5-176.500107.7
2V78.9Confident91.6Very high53 Ų5363.6 Ų63.632%0.32131%0.313SS..  trans-67.4135.5174.2-175.50000109V4 Q337 L514V2-V4 PolarHBondContact O-N 3.39Å; V2-Q337 HydrophobicContact CG2-CB 4.22Å; V2-L514 HydrophobicContact CB-CD2 4.32Å; V2-L514 HydrophobicContact CG1-CD2 3.34Å
3Q86.5Confident92.2Very high168 Ų16858.7 Ų58.779%0.78529%0.289SS*.  trans-86112.1177.6-173.3175.55.500109.4K5Q3-K5 PolarHBondContact O-N 2.93Å
4V92.6Very high92.6Very high38 Ų3854.5 Ų54.523%0.2327%0.269CS..  trans-73.1121.7170.7177.90000108.2V2 Q6 L339 P406 M512V2-V4 PolarHBondContact O-N 3.39Å; V4-Q6 WeakPolarHBondContact CG1-O 3.48Å; V4-L339 HydrophobicContact CG2-CD1 3.75Å; V4-L339 HydrophobicContact CG2-CD2 3.64Å; V4-L339 HydrophobicContact CG2-CG 4.37Å; V4-P406 HydrophobicContact CB-CB 4.4Å; V4-P406 HydrophobicContact CG1-CB 4.06Å; V4-P406 HydrophobicContact CG2-CB 3.97Å; V4-P406 HydrophobicContact CG2-CG 4.45Å; V4-M512 HydrophobicContact CG1-CB 4.33Å; V4-M512 HydrophobicContact CG1-CE 4.09Å; V4-M512 HydrophobicContact CG2-CE 4.41Å
5K92Very high93Very high160 Ų16050.9 Ų50.970%0.69625%0.251SS*.SBendtrans-71.9-45.8179.1-69.4-173.5-176.5175.40111.7Q3 M512Q3-K5 PolarHBondContact O-N 2.93Å; K5-M512 PolarHBondContact N-O 3.11Å
6Q93.9Very high93.3Very high70 Ų7048.4 Ų48.433%0.32724%0.238SC..SBendtrans-144.2130.9-180-85.5145.8-26.800109.5V4 V451 M512V4-Q6 WeakPolarHBondContact CG1-O 3.48Å; Q6-V451 HydrophobicContact CB-CG2 4.31Å; Q6-M512 WeakPolarHBondContact O-CA 3.22Å
7P98.2Very high93.6Very high32 Ų3245.8 Ų45.821%0.20823%0.226CC..  trans-72.8149.9172.332.3-33.5000110.6P406 G449 Y450 V451P7-P406 CarbonylContact C-O 3.53Å; P7-P406 WeakPolarHBondContact CA-O 3.3Å; P7-P406 VanDerWaalsContact CB-O 3.27Å; P7-P406 WeakPolarHBondContact CB-O 3.42Å; P7-G449 WeakPolarHBondContact CD-O 3.34Å; P7-G449 WeakPolarHBondContact CG-O 3.5Å; P7-Y450 HydrophobicContact CB-CD1 3.72Å; P7-Y450 HydrophobicContact CB-CD2 4.22Å; P7-Y450 HydrophobicContact CB-CE1 3.6Å; P7-Y450 HydrophobicContact CB-CE2 4.11Å; P7-Y450 HydrophobicContact CB-CG 4.02Å; P7-Y450 HydrophobicContact CG-CD1 4.1Å; P7-Y450 HydrophobicContact CG-CD2 3.76Å; P7-Y450 HydrophobicContact CG-CE1 4.23Å; P7-Y450 HydrophobicContact CG-CE2 3.89Å; P7-Y450 HydrophobicContact CG-CG 3.86Å; P7-Y450 WeakPolarHBondContact O-CA 3.45Å; P7-V451 PolarHBondContact O-N 3.49Å
8V98.8Very high93.9Very high0 Ų046 Ų460%023%0.228CC..EExtended strand (participates in β ladder)trans-122.4136-175173.20000110.7P406 F407 V408 V451 M453 V508 Q511 M512V8-P406 PolarHBondContact N-O 3.09Å; V8-F407 HydrophobicContact CB-CD2 4.32Å; V8-F407 HydrophobicContact CG1-CD2 4.41Å; V8-F407 HydrophobicContact CG1-CE2 4.45Å; V8-F407 WeakPolarHBondContact O-CA 3.46Å; V8-V408 PolarHBondContact O-N 3.45Å; V8-V451 WeakPolarHBondContact CA-O 3.22Å; V8-V451 HydrophobicContact CG2-CB 4.43Å; V8-M453 HydrophobicContact CG1-CG 4.4Å; V8-M453 HydrophobicContact CG1-SD 4.16Å; V8-V508 HydrophobicContact CB-CG1 4.39Å; V8-V508 HydrophobicContact CG1-CG1 4.14Å; V8-V508 HydrophobicContact CG1-CG2 4.35Å; V8-Q511 HydrophobicContact CG2-CB 3.99Å; V8-Q511 HydrophobicContact CG2-CG 3.67Å; V8-M512 HydrophobicContact CB-CG 4.2Å; V8-M512 HydrophobicContact CB-SD 4.47Å; V8-M512 HydrophobicContact CG2-CG 3.59Å; V8-M512 HydrophobicContact CG2-SD 4.46Å
9C98.9Very high94Very high0 Ų045.2 Ų45.20%023%0.227CC..EExtended strand (participates in β ladder)trans-108.2117.7165.4178.10000108.6V408 C445 Y450 V451 L452 M453C9-V408 CarbonylContact C-O 3.59Å; C9-V408 VanDerWaalsContact CA-O 3.3Å; C9-V408 WeakPolarHBondContact CA-O 3.43Å; C9-V408 HydrophobicContact CB-CG2 3.63Å; C9-C445 VanDerWaalsContact CB-SG 3.53Å; C9-Y450 HydrophobicContact CB-CD1 4.34Å; C9-V451 PolarHBondContact N-O 2.88Å; C9-L452 HydrophobicContact CB-CD1 4.17Å; C9-L452 WeakPolarHBondContact O-CA 3.35Å; C9-M453 PolarHBondContact O-N 2.97Å
10L98.9Very high94Very high0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-103.7120.2176.2177.963.8000110.4V12 I70 F357 F407 V408 M409 C410 M453 T455 V504L10-V12 HydrophobicContact CG-CG2 4.44Å; L10-I70 HydrophobicContact CD2-CG2 4.23Å; L10-F357 HydrophobicContact CD2-CE2 4.28Å; L10-F357 HydrophobicContact CD2-CZ 4.47Å; L10-F407 HydrophobicContact CB-CE2 3.92Å; L10-F407 HydrophobicContact CB-CZ 4.12Å; L10-F407 HydrophobicContact CD2-CZ 4.25Å; L10-V408 PolarHBondContact N-O 3.07Å; L10-M409 HydrophobicContact CB-CB 4.11Å; L10-M409 CarbonylContact O-C 3.46Å; L10-M409 WeakPolarHBondContact O-CA 3.32Å; L10-M409 WeakPolarHBondContact O-CB 3.3Å; L10-C410 PolarHBondContact O-N 2.93Å; L10-M453 CarbonylContact C-O 3.46Å; L10-M453 WeakPolarHBondContact CA-O 3.44Å; L10-M453 HydrophobicContact CD1-CB 4.04Å; L10-T455 HydrophobicContact CD1-CG2 4.46Å; L10-V504 HydrophobicContact CD1-CG1 3.99Å; L10-V504 HydrophobicContact CD2-CG1 4.05Å
11V98.9Very high94Very high0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-106.5125.2172.2177.70000108.7I13 F412 I438 I441 L452 M453 I454 T455V11-I13 HydrophobicContact CG1-CG1 4.21Å; V11-F412 HydrophobicContact CG1-CD2 3.62Å; V11-F412 HydrophobicContact CG1-CE2 3.73Å; V11-I438 HydrophobicContact CG1-CD1 4.43Å; V11-I438 HydrophobicContact CG1-CG1 4.29Å; V11-I441 HydrophobicContact CG2-CD1 4.23Å; V11-I441 HydrophobicContact CG2-CG2 4.35Å; V11-L452 HydrophobicContact CG2-CD1 3.76Å; V11-M453 PolarHBondContact N-O 3.38Å; V11-I454 HydrophobicContact CB-CG1 4.29Å; V11-I454 HydrophobicContact CB-CG2 4.32Å; V11-I454 HydrophobicContact CG1-CG2 4.36Å; V11-I454 CarbonylContact O-C 3.58Å; V11-I454 VanDerWaalsContact O-CA 3.29Å; V11-I454 WeakPolarHBondContact O-CA 3.32Å; V11-T455 PolarHBondContact O-N 2.96Å
12V98.9Very high95.5Very high0 Ų045.8 Ų45.80%023%0.229CC..EExtended strand (participates in β ladder)trans-103.5133.4167.1-172.60000108.1L10 I70 C410 N411 F412 T455 D457L10-V12 HydrophobicContact CG-CG2 4.44Å; V12-I70 HydrophobicContact CG1-CD1 4.19Å; V12-I70 HydrophobicContact CG2-CD1 4.18Å; V12-C410 PolarHBondContact N-O 3.27Å; V12-N411 CarbonylContact O-C 3.59Å; V12-N411 VanDerWaalsContact O-CA 3.25Å; V12-N411 WeakPolarHBondContact O-CA 3.46Å; V12-N411 PolarHBondContact O-OD1 2.75Å; V12-F412 PolarHBondContact O-N 3.17Å; V12-T455 CarbonylContact C-O 3.6Å; V12-T455 VanDerWaalsContact CA-O 3.29Å; V12-T455 WeakPolarHBondContact CA-O 3.39Å; V12-T455 HydrophobicContact CG1-CG2 4.44Å; V12-T455 HydrophobicContact CG2-CG2 4.02Å; V12-D457 HydrophobicContact CG1-CB 4.01Å
13I98.8Very high96.3Very high0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-111.4115.5176.2-47.6171.2000107.8V11 G15 W16 M35 F412 P415 T434 I438 I454 T455 A456V11-I13 HydrophobicContact CG1-CG1 4.21Å; I13-G15 PolarHBondContact O-N 3.5Å; I13-W16 HydrophobicContact CB-CB 3.93Å; I13-W16 HydrophobicContact CB-CG 4.47Å; I13-W16 HydrophobicContact CD1-CD2 4.12Å; I13-W16 HydrophobicContact CD1-CE3 4.23Å; I13-W16 HydrophobicContact CD1-CG 4.35Å; I13-W16 HydrophobicContact CG2-CB 3.77Å; I13-W16 HydrophobicContact CG2-CD2 4.12Å; I13-W16 HydrophobicContact CG2-CE3 3.62Å; I13-W16 HydrophobicContact CG2-CG 4.25Å; I13-W16 HydrophobicContact CG2-CZ3 4.45Å; I13-M35 HydrophobicContact CD1-CE 3.7Å; I13-M35 HydrophobicContact CD1-SD 4.1Å; I13-F412 HydrophobicContact CG2-CB 4.42Å; I13-P415 HydrophobicContact CG2-CG 3.82Å; I13-T434 HydrophobicContact CG1-CG2 4.47Å; I13-T434 HydrophobicContact CG2-CG2 3.85Å; I13-I438 HydrophobicContact CD1-CD1 3.47Å; I13-I438 VanDerWaalsContact CD1-CD1 3.47Å; I13-I438 HydrophobicContact CG1-CD1 4.02Å; I13-I454 HydrophobicContact CD1-CG2 3.72Å; I13-I454 HydrophobicContact CG1-CG2 4.09Å; I13-T455 PolarHBondContact N-O 2.73Å; I13-A456 WeakPolarHBondContact O-CA 3.32Å; I13-A456 WeakPolarHBondContact O-CB 3.16Å
14D98.3Very high96.7Very high0 Ų039.9 Ų39.90%020%0.202CC..THydrogen-bonded Turntrans-69127.2-179.5-137.2-53.6000109.8S63 K349 N411 F412 P415 D416 D457 H458D14-S63 PolarHBondContact OD1-OG 3.47Å; D14-S63 PolarHBondContact OD2-OG 3.39Å; D14-K349 IonicContact OD1-NZ 3.99Å; D14-K349 PolarHBondContact OD1-NZ 3.4Å; D14-K349 WeakPolarHBondContact OD2-CD 3.25Å; D14-K349 WeakPolarHBondContact OD2-CE 3.48Å; D14-K349 VanDerWaalsContact OD2-CG 3.29Å; D14-K349 WeakPolarHBondContact OD2-CG 3.42Å; D14-K349 IonicContact OD2-NZ 3.86Å; D14-K349 PolarHBondContact OD2-NZ 3.36Å; D14-N411 PolarHBondContact OD2-ND2 2.82Å; D14-N411 VanDerWaalsContact OD2-ND2 3.09Å; D14-F412 VanDerWaalsContact CB-O 3.26Å; D14-F412 WeakPolarHBondContact CB-O 3.29Å; D14-F412 PolarHBondContact N-O 2.89Å; D14-P415 WeakPolarHBondContact O-CB 3.34Å; D14-D416 HydrophobicContact CB-CB 3.73Å; D14-D416 PolarHBondContact O-N 3.17Å; D14-D416 VanDerWaalsContact O-N 3.12Å; D14-D416 WeakPolarHBondContact OD1-CB 3.48Å; D14-D457 WeakPolarHBondContact CA-OD1 3.01Å; D14-H458 IonicContact OD1-CD2 3.56Å; D14-H458 IonicContact OD1-CE1 3.59Å; D14-H458 IonicContact OD1-NE2 2.67Å; D14-H458 PolarHBondContact OD1-NE2 3.47Å; D14-H458 VanDerWaalsContact OD1-NE2 3.13Å
15G98.2Very high97Very high0 Ų038.4 Ų38.40%019%0.192CC..THydrogen-bonded Turntrans72.726.8173.900000116.2I13 H458 N460 A461I13-G15 PolarHBondContact O-N 3.5Å; G15-H458 CarbonylContact C-O 3.57Å; G15-H458 VanDerWaalsContact CA-O 3.28Å; G15-H458 WeakPolarHBondContact CA-O 3.25Å; G15-H458 PolarHBondContact N-O 3.46Å; G15-N460 PolarHBondContact O-N 2.97Å; G15-A461 WeakPolarHBondContact O-CB 3.42Å; G15-A461 PolarHBondContact O-N 2.86Å
16W98.7Very high97.3Very high12 Ų1230.8 Ų30.85%0.04516%0.159CC..  trans-103.881179.1-165.5-66.2000112.1I13 I27 T32 M35 P415 C431 T434 A456 H458 P481I13-W16 HydrophobicContact CB-CB 3.93Å; I13-W16 HydrophobicContact CB-CG 4.47Å; I13-W16 HydrophobicContact CD1-CD2 4.12Å; I13-W16 HydrophobicContact CD1-CE3 4.23Å; I13-W16 HydrophobicContact CD1-CG 4.35Å; I13-W16 HydrophobicContact CG2-CB 3.77Å; I13-W16 HydrophobicContact CG2-CD2 4.12Å; I13-W16 HydrophobicContact CG2-CE3 3.62Å; I13-W16 HydrophobicContact CG2-CG 4.25Å; I13-W16 HydrophobicContact CG2-CZ3 4.45Å; W16-I27 HydrophobicContact CB-CD1 4.2Å; W16-I27 HydrophobicContact CD2-CD1 3.88Å; W16-I27 HydrophobicContact CD2-CG1 4.29Å; W16-I27 HydrophobicContact CD2-CG2 4.21Å; W16-I27 HydrophobicContact CE3-CD1 4.43Å; W16-I27 HydrophobicContact CE3-CG1 4.49Å; W16-I27 HydrophobicContact CG-CD1 3.72Å; W16-I27 HydrophobicContact CH2-CG2 4.2Å; W16-I27 HydrophobicContact CZ2-CG2 3.51Å; W16-T32 HydrophobicContact CH2-CG2 3.87Å; W16-T32 HydrophobicContact CZ2-CG2 4.5Å; W16-M35 HydrophobicContact CH2-CB 4.37Å; W16-M35 HydrophobicContact CH2-CG 3.97Å; W16-M35 HydrophobicContact CZ2-CB 3.85Å; W16-M35 HydrophobicContact CZ2-CE 4.18Å; W16-M35 HydrophobicContact CZ2-CG 3.75Å; W16-P415 HydrophobicContact CE3-CB 4.31Å; W16-P415 HydrophobicContact CE3-CG 3.9Å; W16-P415 HydrophobicContact CZ3-CG 4.27Å; W16-C431 HydrophobicContact CH2-CB 4.24Å; W16-C431 HydrophobicContact CZ3-CB 3.88Å; W16-T434 HydrophobicContact CZ3-CG2 4.34Å; W16-A456 HydrophobicContact CB-CB 3.87Å; W16-A456 VanDerWaalsContact O-CB 3.29Å; W16-A456 WeakPolarHBondContact O-CB 3.34Å; W16-H458 PolarHBondContact N-O 3.04Å; W16-H458 VanDerWaalsContact N-O 3.12Å; W16-P481 VanDerWaalsContact O-CD 3.24Å; W16-P481 WeakPolarHBondContact O-CD 3.4Å
17G98.3Very high97.5Very high4 Ų428.2 Ų28.24%0.04115%0.148CC..  trans-87.8169.8178.100000113.9E462 K479G17-E462 VanDerWaalsContact CA-CD 3.46Å; G17-E462 VanDerWaalsContact CA-OE2 3.29Å; G17-E462 WeakPolarHBondContact CA-OE2 3.43Å; G17-E462 PolarHBondContact N-OE2 3.06Å; G17-E462 WeakPolarHBondContact O-CB 3.38Å; G17-K479 CarbonylContact C-O 3.57Å; G17-K479 WeakPolarHBondContact CA-O 3.42Å
18I98Very high97.5Very high49 Ų4931.4 Ų31.425%0.25116%0.16SC..  trans-106.2123.5175.9-58.9173.5000108.9E45 N478 K479 P481I18-E45 HydrophobicContact CD1-CB 4.22Å; I18-E45 HydrophobicContact CD1-CG 3.71Å; I18-N478 WeakPolarHBondContact O-CB 3.4Å; I18-K479 PolarHBondContact N-O 3.13Å; I18-P481 HydrophobicContact CD1-CB 4.25Å
19S96Very high97.4Very high31 Ų3136.2 Ų36.222%0.21718%0.182CC..  trans-138.1142.8176.7176.30000110.1Q21S19-Q21 PolarHBondContact OG-N 2.96Å; S19-Q21 PolarHBondContact OG-O 2.72Å
20H93.3Very high97.4Very high181 Ų18136.6 Ų36.684%0.83819%0.185SC*.SBendtrans-90.1-5.9169.7-59.7-52.6000112.8
21Q94.1Very high97.4Very high124 Ų12439.7 Ų39.758%0.57921%0.21SC*.  trans-83.6120174.6177.665.1-51.900109.2S19 N25S19-Q21 PolarHBondContact OG-N 2.96Å; S19-Q21 PolarHBondContact OG-O 2.72Å; Q21-N25 VanDerWaalsContact O-CB 3.29Å; Q21-N25 WeakPolarHBondContact O-CB 3.36Å; Q21-N25 PolarHBondContact O-ND2 2.75Å
22S94.6Very high97.3Very high39 Ų3939.8 Ų39.827%0.27321%0.211SC..  trans-83.3-38.6-177-166.70000112.2G24 N25 E28 H29S22-G24 PolarHBondContact O-N 2.73Å; S22-G24 VanDerWaalsContact O-N 3.12Å; S22-N25 WeakPolarHBondContact O-CB 3.32Å; S22-N25 PolarHBondContact O-N 2.76Å; S22-E28 VanDerWaalsContact CA-OE2 3.3Å; S22-E28 WeakPolarHBondContact CA-OE2 3.33Å; S22-E28 WeakPolarHBondContact CB-OE1 3.41Å; S22-E28 VanDerWaalsContact OG-CD 3.28Å; S22-E28 PolarHBondContact OG-OE1 3.48Å; S22-H29 PolarHBondContact O-NE2 2.91Å; S22-H29 PolarHBondContact OG-NE2 2.93Å
23D95.6Very high97.3Very high97 Ų9744 Ų4452%0.51924%0.238SC..THydrogen-bonded Turntrans-65.1117.4179.8-175.535.8000111.7K465D23-K465 IonicContact OD1-NZ 3.5Å; D23-K465 PolarHBondContact OD1-NZ 3.01Å; D23-K465 IonicContact OD2-NZ 2.74Å
24G96.2Very high97.3Very high1 Ų144.9 Ų44.91%0.0124%0.244CC..THydrogen-bonded Turntrans81.89.2-176.700000114.5S22 A26 M464S22-G24 PolarHBondContact O-N 2.73Å; S22-G24 VanDerWaalsContact O-N 3.12Å; G24-A26 PolarHBondContact O-N 2.96Å; G24-M464 VanDerWaalsContact O-CB 3.25Å; G24-M464 WeakPolarHBondContact O-CB 3.31Å; G24-M464 PolarHBondContact O-N 3.17Å
25N98.3Very high97.3Very high6 Ų645 Ų453%0.03224%0.244CC..  trans-88.998.2176.6-174.2-18.8000110.9Q21 S22 I27 E28 H29 E462Q21-N25 VanDerWaalsContact O-CB 3.29Å; Q21-N25 WeakPolarHBondContact O-CB 3.36Å; Q21-N25 PolarHBondContact O-ND2 2.75Å; S22-N25 WeakPolarHBondContact O-CB 3.32Å; S22-N25 PolarHBondContact O-N 2.76Å; N25-I27 PolarHBondContact O-N 2.85Å; N25-I27 WeakPolarHBondContact OD1-CB 3.4Å; N25-I27 PolarHBondContact OD1-N 3.46Å; N25-I27 VanDerWaalsContact OD1-N 3.15Å; N25-E28 HydrophobicContact CB-CB 4.01Å; N25-E28 VanDerWaalsContact CG-CB 3.47Å; N25-E28 PolarHBondContact ND2-OE2 3.26Å; N25-E28 PolarHBondContact O-N 2.99Å; N25-E28 PolarHBondContact OD1-N 3.49Å; N25-H29 PolarHBondContact O-CD2 3.19Å; N25-H29 VanDerWaalsContact O-CD2 3.29Å; N25-H29 PolarHBondContact O-N 2.99Å; N25-E462 WeakPolarHBondContact CA-O 3.46Å; N25-E462 WeakPolarHBondContact CB-O 3.32Å; N25-E462 WeakPolarHBondContact OD1-CA 3.47Å
26A98.5Very high97.3Very high0 Ų048.8 Ų48.80%027%0.265CS..Hα-helixtrans-67.9-26.6-177.700000112.6G24 A30 Y424 A427 V428 A461 M464G24-A26 PolarHBondContact O-N 2.96Å; A26-A30 WeakPolarHBondContact O-CB 3.47Å; A26-A30 PolarHBondContact O-N 2.85Å; A26-A30 VanDerWaalsContact O-N 3.09Å; A26-Y424 HydrophobicContact CB-CD2 4.35Å; A26-Y424 HydrophobicContact CB-CE2 4.14Å; A26-A427 HydrophobicContact CB-CB 3.74Å; A26-V428 HydrophobicContact CB-CG2 3.94Å; A26-A461 WeakPolarHBondContact CB-O 3.44Å; A26-A461 PolarHBondContact N-O 2.9Å; A26-M464 HydrophobicContact CB-CG 4.04Å
27I98.4Very high97.3Very high17 Ų1754 Ų549%0.08728%0.284CS..Hα-helixtrans-70.2-48.7178.6-59.3175.9000110.3W16 N25 H29 A30 A461 E462W16-I27 HydrophobicContact CB-CD1 4.2Å; W16-I27 HydrophobicContact CD2-CD1 3.88Å; W16-I27 HydrophobicContact CD2-CG1 4.29Å; W16-I27 HydrophobicContact CD2-CG2 4.21Å; W16-I27 HydrophobicContact CE3-CD1 4.43Å; W16-I27 HydrophobicContact CE3-CG1 4.49Å; W16-I27 HydrophobicContact CG-CD1 3.72Å; W16-I27 HydrophobicContact CH2-CG2 4.2Å; W16-I27 HydrophobicContact CZ2-CG2 3.51Å; N25-I27 PolarHBondContact O-N 2.85Å; N25-I27 WeakPolarHBondContact OD1-CB 3.4Å; N25-I27 PolarHBondContact OD1-N 3.46Å; N25-I27 VanDerWaalsContact OD1-N 3.15Å; I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 3.4Å; I27-A461 HydrophobicContact CD1-CB 4.14Å; I27-A461 HydrophobicContact CG1-CB 3.87Å; I27-E462 HydrophobicContact CD1-CB 3.89Å
28E97.2Very high97.3Very high99 Ų9954.7 Ų54.746%0.46329%0.287SS..Hα-helixtrans-64.2-32.4-179.9-175.7179.9157.600112.6S22 N25S22-E28 VanDerWaalsContact CA-OE2 3.3Å; S22-E28 WeakPolarHBondContact CA-OE2 3.33Å; S22-E28 WeakPolarHBondContact CB-OE1 3.41Å; S22-E28 VanDerWaalsContact OG-CD 3.28Å; S22-E28 PolarHBondContact OG-OE1 3.48Å; N25-E28 HydrophobicContact CB-CB 4.01Å; N25-E28 VanDerWaalsContact CG-CB 3.47Å; N25-E28 PolarHBondContact ND2-OE2 3.26Å; N25-E28 PolarHBondContact O-N 2.99Å; N25-E28 PolarHBondContact OD1-N 3.49Å
29H97.8Very high97.2Very high101 Ų10154.4 Ų54.447%0.46829%0.289SS..Hα-helixtrans-91.8-5179.9-75.2-68.7000114.6S22 N25 I27 Y424S22-H29 PolarHBondContact O-NE2 2.91Å; S22-H29 PolarHBondContact OG-NE2 2.93Å; N25-H29 PolarHBondContact O-CD2 3.19Å; N25-H29 VanDerWaalsContact O-CD2 3.29Å; N25-H29 PolarHBondContact O-N 2.99Å; I27-H29 VanDerWaalsContact C-N 3.27Å; I27-H29 PolarHBondContact O-N 3.39Å; H29-Y424 WeakPolarHBondContact CB-OH 3.47Å; H29-Y424 PolarHBondContact CD2-OH 3.07Å
30A98.5Very high97.2Very high7 Ų761.5 Ų61.56%0.05832%0.316CS..SBendtrans-81.7142.3173.700000111.4A26 I27 T32 V428 C431 E432A26-A30 WeakPolarHBondContact O-CB 3.47Å; A26-A30 PolarHBondContact O-N 2.85Å; A26-A30 VanDerWaalsContact O-N 3.09Å; I27-A30 PolarHBondContact O-N 3.4Å; A30-T32 HydrophobicContact CB-CG2 3.65Å; A30-T32 PolarHBondContact O-N 2.96Å; A30-V428 HydrophobicContact CB-CG1 4.06Å; A30-C431 HydrophobicContact CB-CB 3.6Å; A30-E432 HydrophobicContact CB-CG 3.83Å
31A98.4Very high97.3Very high65 Ų6554.9 Ų54.954%0.53730%0.297SS..  trans-70.590.1170.600000110.6P33 E432A31-P33 VanDerWaalsContact O-CD 3.24Å; A31-P33 WeakPolarHBondContact O-CD 3.49Å; A31-E432 HydrophobicContact CB-CG 4.24Å; A31-E432 PolarHBondContact N-OE1 3.21Å
32T98.4Very high97.4Very high3 Ų350.4 Ų50.42%0.01828%0.277CS..  trans-119.556.9-173.860.50000113.1W16 A30 V34 M35 D36 C431 D435W16-T32 HydrophobicContact CH2-CG2 3.87Å; W16-T32 HydrophobicContact CZ2-CG2 4.5Å; A30-T32 HydrophobicContact CB-CG2 3.65Å; A30-T32 PolarHBondContact O-N 2.96Å; T32-V34 PolarHBondContact O-N 3.21Å; T32-M35 PolarHBondContact O-N 3.27Å; T32-D36 WeakPolarHBondContact O-CB 3.34Å; T32-D36 VanDerWaalsContact O-CG 3.23Å; T32-D36 PolarHBondContact O-N 3.29Å; T32-C431 HydrophobicContact CG2-CB 4.39Å; T32-D435 WeakPolarHBondContact CA-OD1 3.41Å; T32-D435 WeakPolarHBondContact CB-OD1 3.4Å; T32-D435 HydrophobicContact CG2-CB 3.92Å
33P98.4Very high97.5Very high87 Ų8752.8 Ų52.857%0.56528%0.284SS*.Hα-helixtrans-61.6-22.5-17227.7-37.6000114.3A31 R37 D435A31-P33 VanDerWaalsContact O-CD 3.24Å; A31-P33 WeakPolarHBondContact O-CD 3.49Å; P33-R37 WeakPolarHBondContact O-CB 3.5Å; P33-R37 PolarHBondContact O-N 2.91Å; P33-D435 WeakPolarHBondContact CD-OD2 3.38Å
34V98.7Very high97.6Very high19 Ų1948.3 Ų48.312%0.11526%0.26CS..Hα-helixtrans-76.4-54.2177.3-179.70000109.7T32 D36 R37 L38 D435 I438T32-V34 PolarHBondContact O-N 3.21Å; V34-D36 PolarHBondContact O-N 3.48Å; V34-R37 PolarHBondContact O-N 2.87Å; V34-L38 HydrophobicContact CG1-CD1 3.85Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.26Å; V34-L38 PolarHBondContact O-N 3.44Å; V34-D435 WeakPolarHBondContact CA-OD1 3.34Å; V34-D435 WeakPolarHBondContact CB-OD1 3.36Å; V34-D435 PolarHBondContact N-OD1 3.11Å; V34-D435 PolarHBondContact N-OD2 2.98Å; V34-I438 HydrophobicContact CG1-CG2 3.98Å
35M98.4Very high97.7Very high2 Ų251.4 Ų51.41%0.0127%0.274CS..Hα-helixtrans-63.4-40.6178.7-71.3-60.1-67.400111.8I13 W16 T32 R37 L38 S39 D435 I438 I454 L483I13-M35 HydrophobicContact CD1-CE 3.7Å; I13-M35 HydrophobicContact CD1-SD 4.1Å; W16-M35 HydrophobicContact CH2-CB 4.37Å; W16-M35 HydrophobicContact CH2-CG 3.97Å; W16-M35 HydrophobicContact CZ2-CB 3.85Å; W16-M35 HydrophobicContact CZ2-CE 4.18Å; W16-M35 HydrophobicContact CZ2-CG 3.75Å; T32-M35 PolarHBondContact O-N 3.27Å; M35-R37 VanDerWaalsContact C-N 3.28Å; M35-R37 PolarHBondContact O-N 2.97Å; M35-L38 PolarHBondContact O-N 2.61Å; M35-S39 VanDerWaalsContact O-CB 3.26Å; M35-S39 WeakPolarHBondContact O-CB 3.49Å; M35-S39 PolarHBondContact O-N 3.28Å; M35-S39 PolarHBondContact O-OG 3.45Å; M35-D435 WeakPolarHBondContact CB-OD1 3.32Å; M35-D435 WeakPolarHBondContact CG-OD1 3.35Å; M35-D435 PolarHBondContact N-OD1 2.93Å; M35-I438 HydrophobicContact CG-CD1 4.25Å; M35-I438 HydrophobicContact SD-CD1 3.76Å; M35-I438 HydrophobicContact SD-CG2 4.26Å; M35-I454 HydrophobicContact CE-CG2 4.13Å; M35-I454 HydrophobicContact SD-CD1 4Å; M35-I454 HydrophobicContact SD-CG2 4.28Å; M35-L483 HydrophobicContact CE-CD1 3.63Å; M35-L483 HydrophobicContact SD-CD1 4.22Å
36D98.1Very high97.8Very high80 Ų8051.1 Ų51.143%0.42827%0.273SS..Hα-helixtrans-57.2-42.1174.4-76.1-23.1000112.4T32 V34 K40T32-D36 WeakPolarHBondContact O-CB 3.34Å; T32-D36 VanDerWaalsContact O-CG 3.23Å; T32-D36 PolarHBondContact O-N 3.29Å; V34-D36 PolarHBondContact O-N 3.48Å; D36-K40 WeakPolarHBondContact O-CD 3.4Å; D36-K40 WeakPolarHBondContact O-CG 3.01Å; D36-K40 PolarHBondContact O-N 3.5Å
37R98.2Very high97.8Very high123 Ų12352.3 Ų52.346%0.46428%0.278SS..Hα-helixtrans-71.2-44.1178.9176.5176.752.276.52.8111.3P33 V34 M35 K40 G41 E442P33-R37 WeakPolarHBondContact O-CB 3.5Å; P33-R37 PolarHBondContact O-N 2.91Å; V34-R37 PolarHBondContact O-N 2.87Å; M35-R37 VanDerWaalsContact C-N 3.28Å; M35-R37 PolarHBondContact O-N 2.97Å; R37-K40 PolarHBondContact O-N 2.94Å; R37-G41 PolarHBondContact O-N 3.06Å; R37-E442 IonicContact CZ-OE1 2.71Å; R37-E442 VanDerWaalsContact CZ-OE1 3.27Å; R37-E442 IonicContact CZ-OE2 3.98Å; R37-E442 IonicContact NH1-OE1 2.72Å; R37-E442 PolarHBondContact NH1-OE1 3.07Å; R37-E442 IonicContact NH1-OE2 3.91Å; R37-E442 IonicContact NH2-OE1 3.45Å; R37-E442 PolarHBondContact NH2-OE1 3.44Å; R37-E442 IonicContact NH2-OE2 3.79Å; R37-E442 PolarHBondContact NH2-OE2 2.72Å
38L97.9Very high97.7Very high17 Ų1751.6 Ų51.69%0.08928%0.275CS..Hα-helixtrans-67.2-40.3-179-70.3173.1000111.8V34 M35 K40 G41 I438 E442 I454 L483 T485V34-L38 HydrophobicContact CG1-CD1 3.85Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.26Å; V34-L38 PolarHBondContact O-N 3.44Å; M35-L38 PolarHBondContact O-N 2.61Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 2.87Å; L38-G41 WeakPolarHBondContact O-CA 3.29Å; L38-G41 PolarHBondContact O-N 3.49Å; L38-I438 HydrophobicContact CD1-CG2 4.46Å; L38-E442 WeakPolarHBondContact CD2-OE1 3.22Å; L38-I454 HydrophobicContact CD1-CD1 3.56Å; L38-L483 HydrophobicContact CB-CD1 3.82Å; L38-T485 HydrophobicContact CD2-CG2 3.87Å
39S96.2Very high97.7Very high44 Ų4448.6 Ų48.631%0.30826%0.261SS..Hα-helixtrans-64.4-28.7176.7-64.30000113.3M35 G41 H43M35-S39 VanDerWaalsContact O-CB 3.26Å; M35-S39 WeakPolarHBondContact O-CB 3.49Å; M35-S39 PolarHBondContact O-N 3.28Å; M35-S39 PolarHBondContact O-OG 3.45Å; S39-G41 PolarHBondContact O-N 3.22Å; S39-H43 PolarHBondContact O-ND1 2.88Å; S39-H43 VanDerWaalsContact O-ND1 3.17Å
40K95.8Very high97.6Very high179 Ų17943.9 Ų43.978%0.77824%0.239SC*.THydrogen-bonded Turntrans-77-11172.2-71.4168.5-173.6165.50113.3D36 R37 L38D36-K40 WeakPolarHBondContact O-CD 3.4Å; D36-K40 WeakPolarHBondContact O-CG 3.01Å; D36-K40 PolarHBondContact O-N 3.5Å; R37-K40 PolarHBondContact O-N 2.94Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 2.87Å
41G95.2Very high97.4Very high42 Ų4247.2 Ų47.243%0.43326%0.256SS..SBendtrans-94.2-137.9-179.100000112.8R37 L38 S39 H43R37-G41 PolarHBondContact O-N 3.06Å; L38-G41 WeakPolarHBondContact O-CA 3.29Å; L38-G41 PolarHBondContact O-N 3.49Å; S39-G41 PolarHBondContact O-N 3.22Å; G41-H43 PolarHBondContact O-N 3.34Å; G41-H43 VanDerWaalsContact O-N 3.13Å; G41-H43 PolarHBondContact O-ND1 2.94Å
42N97Very high97.3Very high31 Ų3147 Ų4717%0.16624%0.243CC..SBendtrans-74.799.1179.7-178.919.1000110.2S484 G486 R488 V489 L490N42-S484 WeakPolarHBondContact CB-O 3.17Å; N42-S484 PolarHBondContact O-N 2.84Å; N42-G486 PolarHBondContact ND2-O 2.81Å; N42-R488 PolarHBondContact ND2-O 3.27Å; N42-V489 WeakPolarHBondContact OD1-CA 3.4Å; N42-L490 WeakPolarHBondContact OD1-CB 3.19Å; N42-L490 PolarHBondContact OD1-N 3.25Å
43H96.9Very high97.2Very high88 Ų8846.9 Ų46.941%0.40724%0.243SC..EExtended strand (participates in β ladder)trans-137.3160.6-174.177-77.4000112.6S39 G41 F482 L483S39-H43 PolarHBondContact O-ND1 2.88Å; S39-H43 VanDerWaalsContact O-ND1 3.17Å; G41-H43 PolarHBondContact O-N 3.34Å; G41-H43 VanDerWaalsContact O-N 3.13Å; G41-H43 PolarHBondContact O-ND1 2.94Å; H43-F482 CarbonylContact C-O 3.5Å; H43-F482 VanDerWaalsContact CA-O 3.3Å; H43-F482 WeakPolarHBondContact CA-O 3.24Å; H43-L483 HydrophobicContact CB-CD2 3.43Å; H43-L483 VanDerWaalsContact CB-CD2 3.43Å
44S97.7Very high97Very high3 Ų342.8 Ų42.82%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-142.7172.9165.9-167.40000108.5F482 K491S44-F482 PolarHBondContact N-O 2.87Å; S44-F482 PolarHBondContact O-N 3.17Å; S44-K491 WeakPolarHBondContact CB-O 3.18Å; S44-K491 PolarHBondContact OG-O 3.4Å
45E98.2Very high96.8Very high66 Ų6642.5 Ų42.531%0.30821%0.214SC..EExtended strand (participates in β ladder)trans-121.5134.5175.8-55.8-178.4164.700109.3I18 K479 V480I18-E45 HydrophobicContact CD1-CB 4.22Å; I18-E45 HydrophobicContact CD1-CG 3.71Å; E45-K479 HydrophobicContact CB-CB 4.3Å; E45-K479 HydrophobicContact CB-CD 3.82Å; E45-K479 WeakPolarHBondContact OE2-CD 3.48Å; E45-K479 IonicContact OE2-NZ 3.15Å; E45-K479 PolarHBondContact OE2-NZ 3.29Å; E45-K479 VanDerWaalsContact OE2-NZ 3.15Å; E45-V480 CarbonylContact C-O 3.56Å; E45-V480 WeakPolarHBondContact CA-O 3.45Å
46L98.7Very high96.4Very high0 Ų043.8 Ų43.80%022%0.222CC..EExtended strand (participates in β ladder)trans-110.5137.9-177.9-50.7-177.4000111.3A48 K479 V480 F482 P499 L501 V504 L525L46-A48 PolarHBondContact O-N 3.22Å; L46-K479 VanDerWaalsContact O-CA 3.29Å; L46-K479 WeakPolarHBondContact O-CA 3.43Å; L46-K479 WeakPolarHBondContact O-CB 3.35Å; L46-V480 HydrophobicContact CB-CG2 3.79Å; L46-V480 PolarHBondContact N-O 2.88Å; L46-V480 PolarHBondContact O-N 3.26Å; L46-F482 HydrophobicContact CD1-CB 3.71Å; L46-F482 HydrophobicContact CD1-CD1 4.42Å; L46-F482 HydrophobicContact CD1-CG 4.01Å; L46-F482 HydrophobicContact CD2-CB 4Å; L46-F482 HydrophobicContact CD2-CD1 4.29Å; L46-F482 HydrophobicContact CD2-CG 4.45Å; L46-F482 HydrophobicContact CG-CB 3.67Å; L46-F482 HydrophobicContact CG-CG 4.38Å; L46-P499 WeakPolarHBondContact CA-O 3.48Å; L46-P499 HydrophobicContact CD2-CB 3.62Å; L46-L501 HydrophobicContact CB-CD2 4.28Å; L46-L501 HydrophobicContact CD1-CD2 4.01Å; L46-V504 HydrophobicContact CD1-CG2 3.61Å; L46-L525 HydrophobicContact CD2-CD1 3.71Å
47E98.4Very high96.1Very high26 Ų2648 Ų4812%0.12124%0.239CC..BIsolated β-bridgetrans-66.2125.7163.1-63.9-63.3161.300110.4H49 H52 K479 A498 P499 A500 L501E47-H49 IonicContact OE2-CE1 2.82Å; E47-H49 IonicContact OE2-ND1 3.25Å; E47-H52 HydrophobicContact CB-CB 3.61Å; E47-H52 VanDerWaalsContact CB-CG 3.46Å; E47-K479 WeakPolarHBondContact OE1-CE 3.43Å; E47-A498 HydrophobicContact CG-CB 3.81Å; E47-P499 PolarHBondContact N-O 3.13Å; E47-A500 HydrophobicContact CB-CB 4.05Å; E47-A500 WeakPolarHBondContact O-CA 3.3Å; E47-L501 PolarHBondContact O-N 3.38Å
48A98Very high95.7Very high1 Ų144.6 Ų44.61%0.00824%0.242CC..  trans-125.418.5-175.300000113.5L46 V53 G61 V480 L501L46-A48 PolarHBondContact O-N 3.22Å; A48-V53 VanDerWaalsContact C-CG1 3.46Å; A48-G61 WeakPolarHBondContact O-CA 3.08Å; A48-V480 HydrophobicContact CB-CB 4.43Å; A48-V480 HydrophobicContact CB-CG1 3.75Å; A48-V480 HydrophobicContact CB-CG2 3.88Å; A48-L501 HydrophobicContact CB-CD1 4.02Å; A48-L501 HydrophobicContact CB-CD2 4.39Å; A48-L501 HydrophobicContact CB-CG 4.17Å
49H97Very high95.4Very high37 Ų3747.1 Ų47.117%0.17126%0.255CS..SBendtrans-143.2169.2-176.483.8-79000112.6E47 H52 L59 C477E47-H49 IonicContact OE2-CE1 2.82Å; E47-H49 IonicContact OE2-ND1 3.25Å; H49-H52 WeakPolarHBondContact O-CB 3.29Å; H49-H52 PolarHBondContact O-N 3.15Å; H49-L59 WeakPolarHBondContact CB-O 3.4Å; H49-C477 HydrophobicContact CB-CB 4.12Å; H49-C477 PolarHBondContact CE1-O 3.29Å; H49-C477 PolarHBondContact ND1-O 3.44Å; H49-C477 VanDerWaalsContact ND1-O 3.11Å
50G95.2Very high95.3Very high1 Ų148.8 Ų48.81%0.0126%0.259CS..G310 helixtrans52.4-137.8175.200000114H52 V53 G54 L55 P56 L59G50-H52 PolarHBondContact O-N 2.83Å; G50-H52 VanDerWaalsContact O-N 3.14Å; G50-V53 WeakPolarHBondContact O-CG2 3.34Å; G50-V53 PolarHBondContact O-N 3Å; G50-V53 VanDerWaalsContact O-N 3.08Å; G50-G54 PolarHBondContact O-N 2.66Å; G50-G54 VanDerWaalsContact O-N 3.17Å; G50-L55 CarbonylContact C-O 3.51Å; G50-L55 PolarHBondContact O-N 3.45Å; G50-P56 VanDerWaalsContact CA-O 3.27Å; G50-P56 WeakPolarHBondContact CA-O 3.33Å; G50-L59 PolarHBondContact N-O 3.47Å
51L95Very high95.3Very high78 Ų7840.3 Ų40.341%0.40822%0.222SC..G310 helixtrans-63-22.8-175-66.6175000112.9V53 G54 L55 E57 V75 V81L51-V53 PolarHBondContact O-N 2.79Å; L51-G54 PolarHBondContact O-N 2.79Å; L51-L55 WeakPolarHBondContact CA-O 3.46Å; L51-L55 WeakPolarHBondContact CD2-O 3.38Å; L51-L55 PolarHBondContact N-O 2.93Å; L51-L55 VanDerWaalsContact N-O 3.12Å; L51-E57 HydrophobicContact CD1-CB 4.41Å; L51-E57 HydrophobicContact CG-CB 4.38Å; L51-V75 WeakPolarHBondContact O-CG1 3.38Å; L51-V81 HydrophobicContact CD2-CG1 3.85Å
52H96.6Very high95.3Very high61 Ų6140.7 Ų40.728%0.28222%0.215SC..G310 helixtrans-69.2-20.4177.7-63.2-72.3000113.5E47 H49 G50 A500E47-H52 HydrophobicContact CB-CB 3.61Å; E47-H52 VanDerWaalsContact CB-CG 3.46Å; H49-H52 WeakPolarHBondContact O-CB 3.29Å; H49-H52 PolarHBondContact O-N 3.15Å; G50-H52 PolarHBondContact O-N 2.83Å; G50-H52 VanDerWaalsContact O-N 3.14Å; H52-A500 HydrophobicContact CB-CB 4.13Å
53V95.6Very high95.3Very high0 Ų039.6 Ų39.60%021%0.209CC..G310 helixtrans-117.510.6174.4-580000112.4A48 G50 L51 L55 V65 N69 L501A48-V53 VanDerWaalsContact C-CG1 3.46Å; G50-V53 WeakPolarHBondContact O-CG2 3.34Å; G50-V53 PolarHBondContact O-N 3Å; G50-V53 VanDerWaalsContact O-N 3.08Å; L51-V53 PolarHBondContact O-N 2.79Å; V53-L55 HydrophobicContact CG2-CB 4.34Å; V53-L55 HydrophobicContact CG2-CD1 4Å; V53-L55 HydrophobicContact CG2-CG 4.11Å; V53-V65 HydrophobicContact CB-CB 4.38Å; V53-V65 HydrophobicContact CB-CG2 4.09Å; V53-V65 HydrophobicContact CG2-CB 4.44Å; V53-V65 HydrophobicContact CG2-CG2 3.79Å; V53-N69 PolarHBondContact O-ND2 2.92Å; V53-L501 HydrophobicContact CG1-CD1 3.74Å; V53-L501 HydrophobicContact CG1-CG 4.3Å
54G94.7Very high95.2Very high0 Ų039.4 Ų39.40%021%0.208CC..THydrogen-bonded Turntrans81.319.1176.800000115.3G50 L51 I76 Q78 V81G50-G54 PolarHBondContact O-N 2.66Å; G50-G54 VanDerWaalsContact O-N 3.17Å; L51-G54 PolarHBondContact O-N 2.79Å; G54-I76 WeakPolarHBondContact CA-O 3.46Å; G54-Q78 WeakPolarHBondContact O-CB 3.19Å; G54-Q78 WeakPolarHBondContact O-CG 3.42Å; G54-Q78 PolarHBondContact O-N 3.39Å; G54-V81 WeakPolarHBondContact O-CG2 3.44Å
55L93.8Very high95.1Very high14 Ų1439.3 Ų39.37%0.07321%0.208CC..SBendtrans-99.3162.5172.6-70.3176.2000111.8G50 L51 V53 L59 M60 V65 Q78G50-L55 CarbonylContact C-O 3.51Å; G50-L55 PolarHBondContact O-N 3.45Å; L51-L55 WeakPolarHBondContact CA-O 3.46Å; L51-L55 WeakPolarHBondContact CD2-O 3.38Å; L51-L55 PolarHBondContact N-O 2.93Å; L51-L55 VanDerWaalsContact N-O 3.12Å; V53-L55 HydrophobicContact CG2-CB 4.34Å; V53-L55 HydrophobicContact CG2-CD1 4Å; V53-L55 HydrophobicContact CG2-CG 4.11Å; L55-L59 HydrophobicContact CB-CB 4.33Å; L55-L59 HydrophobicContact CB-CD2 4.4Å; L55-L59 HydrophobicContact CD1-CD2 4.45Å; L55-L59 HydrophobicContact CD2-CD2 4.3Å; L55-M60 WeakPolarHBondContact CD1-O 3.38Å; L55-V65 HydrophobicContact CD1-CG1 4.36Å; L55-V65 HydrophobicContact CD1-CG2 3.85Å; L55-V65 HydrophobicContact CD2-CG1 4.12Å; L55-V65 HydrophobicContact CG-CG1 4.17Å; L55-V65 HydrophobicContact CG-CG2 4.34Å; L55-Q78 HydrophobicContact CD2-CB 4.34Å; L55-Q78 HydrophobicContact CD2-CG 3.67Å; L55-Q78 HydrophobicContact CG-CG 4.47Å
56P90.8Very high95.1Very high28 Ų2836.2 Ų36.218%0.18219%0.193CC..PPolyproline II helixtrans-52.8148.1171.7-25.634.5000111.8G50 G58 L59 I80 V81G50-P56 VanDerWaalsContact CA-O 3.27Å; G50-P56 WeakPolarHBondContact CA-O 3.33Å; P56-G58 PolarHBondContact O-N 3.38Å; P56-L59 HydrophobicContact CG-CD2 4.35Å; P56-L59 VanDerWaalsContact O-CB 3.29Å; P56-L59 WeakPolarHBondContact O-CB 3.41Å; P56-L59 PolarHBondContact O-N 3.16Å; P56-L59 VanDerWaalsContact O-N 3.08Å; P56-I80 HydrophobicContact CG-CD1 3.88Å; P56-I80 HydrophobicContact CG-CG1 4.35Å; P56-I80 HydrophobicContact CG-CG2 3.72Å; P56-V81 HydrophobicContact CG-CG2 4.11Å; P56-V81 VanDerWaalsContact N-CG2 3.28Å
57E91.3Very high95.1Very high170 Ų17036.2 Ų36.279%0.79419%0.193SC*.THydrogen-bonded Turntrans-53.5136179.3-172.3167.3-164.100111.8L51 L59L51-E57 HydrophobicContact CD1-CB 4.41Å; L51-E57 HydrophobicContact CG-CB 4.38Å; E57-L59 PolarHBondContact O-N 3.14Å
58G90.1Very high95Very high51 Ų5135.7 Ų35.753%0.52619%0.191SC..THydrogen-bonded Turntrans75.6-3.6-178.300000115.8P56 C477P56-G58 PolarHBondContact O-N 3.38Å; G58-C477 PolarHBondContact O-SG 3.11Å
59L91.7Very high95Very high70 Ų7035.6 Ų35.637%0.36619%0.191SC..PPolyproline II helixtrans-82.4133.9177.7-164.165.3000111.3H49 G50 L55 P56 E57H49-L59 WeakPolarHBondContact CB-O 3.4Å; G50-L59 PolarHBondContact N-O 3.47Å; L55-L59 HydrophobicContact CB-CB 4.33Å; L55-L59 HydrophobicContact CB-CD2 4.4Å; L55-L59 HydrophobicContact CD1-CD2 4.45Å; L55-L59 HydrophobicContact CD2-CD2 4.3Å; P56-L59 HydrophobicContact CG-CD2 4.35Å; P56-L59 VanDerWaalsContact O-CB 3.29Å; P56-L59 WeakPolarHBondContact O-CB 3.41Å; P56-L59 PolarHBondContact O-N 3.16Å; P56-L59 VanDerWaalsContact O-N 3.08Å; E57-L59 PolarHBondContact O-N 3.14Å
60M94.3Very high95.1Very high79 Ų7933.9 Ų33.939%0.38918%0.183SC..PPolyproline II helixtrans-61.6142.5177.862.5-7418000111.9L55 H475 T476L55-M60 WeakPolarHBondContact CD1-O 3.38Å; M60-H475 HydrophobicContact CB-CB 4.03Å; M60-H475 HydrophobicContact CG-CB 3.91Å; M60-T476 WeakPolarHBondContact CB-O 3.47Å
61G94.2Very high95.2Very high0 Ų033.8 Ų33.80%018%0.182CC..PPolyproline II helixtrans-68.1173170.600000112.3A48 H475A48-G61 WeakPolarHBondContact O-CA 3.08Å; G61-H475 WeakPolarHBondContact O-CB 3.43Å; G61-H475 PolarHBondContact O-ND1 2.76Å
62N96.3Very high95.4Very high51 Ų5130.1 Ų30.127%0.27316%0.163SC..  trans-151.6171.8171.761.251.3000109.1E64 V65 G66 H458 H475N62-E64 PolarHBondContact O-N 2.74Å; N62-E64 WeakPolarHBondContact OD1-CB 3.39Å; N62-E64 PolarHBondContact OD1-N 2.83Å; N62-E64 VanDerWaalsContact OD1-N 3.1Å; N62-V65 WeakPolarHBondContact O-CG2 3.28Å; N62-V65 PolarHBondContact O-N 2.88Å; N62-V65 PolarHBondContact OD1-N 2.88Å; N62-G66 PolarHBondContact O-N 3.12Å; N62-H458 VanDerWaalsContact CA-CD2 3.43Å; N62-H458 WeakPolarHBondContact CA-CD2 3.33Å; N62-H475 WeakPolarHBondContact CA-ND1 3.38Å
63S96.6Very high95.5Very high7 Ų727.2 Ų27.25%0.04915%0.149CC..Hα-helixtrans-61.1-32.6-174.1-33.40000113.9D14 H67 K349 H352 D457 H458D14-S63 PolarHBondContact OD1-OG 3.47Å; D14-S63 PolarHBondContact OD2-OG 3.39Å; S63-H67 WeakPolarHBondContact O-CB 3.27Å; S63-H67 PolarHBondContact O-N 3.34Å; S63-H67 PolarHBondContact O-ND1 3.49Å; S63-H67 VanDerWaalsContact O-ND1 3.17Å; S63-K349 PolarHBondContact OG-NZ 3.36Å; S63-H352 WeakPolarHBondContact CB-CD2 3.46Å; S63-H352 WeakPolarHBondContact CB-NE2 3.5Å; S63-H352 PolarHBondContact O-CD2 3.37Å; S63-D457 WeakPolarHBondContact CA-OD2 3.48Å; S63-D457 VanDerWaalsContact CB-OD2 3.24Å; S63-D457 WeakPolarHBondContact CB-OD2 3.31Å; S63-H458 PolarHBondContact N-CD2 3.15Å; S63-H458 VanDerWaalsContact N-CD2 3.31Å; S63-H458 PolarHBondContact N-NE2 3.12Å; S63-H458 PolarHBondContact OG-NE2 3.38Å; S63-H458 VanDerWaalsContact OG-NE2 3.16Å
64E94.6Very high95.6Very high84 Ų8428.1 Ų28.139%0.39315%0.153SC..Hα-helixtrans-62.8-58.1176.3155.6167.6-160.400110.8N62 G66 L68 F356N62-E64 PolarHBondContact O-N 2.74Å; N62-E64 WeakPolarHBondContact OD1-CB 3.39Å; N62-E64 PolarHBondContact OD1-N 2.83Å; N62-E64 VanDerWaalsContact OD1-N 3.1Å; E64-G66 VanDerWaalsContact C-N 3.33Å; E64-G66 PolarHBondContact O-N 2.87Å; E64-L68 WeakPolarHBondContact O-CB 3.39Å; E64-L68 PolarHBondContact O-N 2.82Å; E64-L68 VanDerWaalsContact O-N 3.09Å; E64-F356 HydrophobicContact CB-CD1 4.01Å; E64-F356 HydrophobicContact CB-CD2 4.46Å; E64-F356 HydrophobicContact CB-CE1 3.75Å; E64-F356 HydrophobicContact CB-CE2 4.21Å; E64-F356 HydrophobicContact CB-CG 4.36Å; E64-F356 HydrophobicContact CB-CZ 3.85Å; E64-F356 HydrophobicContact CG-CD1 3.61Å; E64-F356 HydrophobicContact CG-CE1 3.32Å; E64-F356 HydrophobicContact CG-CG 4.41Å; E64-F356 HydrophobicContact CG-CZ 3.9Å; E64-F356 WeakPolarHBondContact OE1-CE1 3.42Å
65V95.6Very high95.7Very high2 Ų229.7 Ų29.71%0.01216%0.162CC..Hα-helixtrans-68.6-36.3-178.3-59.30000111V53 L55 N62 L68 N69 Q78V53-V65 HydrophobicContact CB-CB 4.38Å; V53-V65 HydrophobicContact CB-CG2 4.09Å; V53-V65 HydrophobicContact CG2-CB 4.44Å; V53-V65 HydrophobicContact CG2-CG2 3.79Å; L55-V65 HydrophobicContact CD1-CG1 4.36Å; L55-V65 HydrophobicContact CD1-CG2 3.85Å; L55-V65 HydrophobicContact CD2-CG1 4.12Å; L55-V65 HydrophobicContact CG-CG1 4.17Å; L55-V65 HydrophobicContact CG-CG2 4.34Å; N62-V65 WeakPolarHBondContact O-CG2 3.28Å; N62-V65 PolarHBondContact O-N 2.88Å; N62-V65 PolarHBondContact OD1-N 2.88Å; V65-L68 PolarHBondContact O-N 2.67Å; V65-N69 PolarHBondContact O-N 2.74Å; V65-N69 PolarHBondContact O-ND2 2.69Å; V65-Q78 HydrophobicContact CG1-CG 3.96Å
66G98.1Very high95.7Very high0 Ų029.4 Ų29.40%016%0.161CC..Hα-helixtrans-62.8-54.3-178.600000111.6N62 E64 L68 N69 I70 L501N62-G66 PolarHBondContact O-N 3.12Å; E64-G66 VanDerWaalsContact C-N 3.33Å; E64-G66 PolarHBondContact O-N 2.87Å; G66-L68 VanDerWaalsContact C-N 3.32Å; G66-L68 PolarHBondContact O-N 3.2Å; G66-N69 PolarHBondContact O-N 3.4Å; G66-I70 VanDerWaalsContact O-CG1 3.25Å; G66-I70 WeakPolarHBondContact O-CG1 3.34Å; G66-I70 PolarHBondContact O-N 3.08Å; G66-L501 VanDerWaalsContact CA-CD1 3.49Å
67H98.5Very high95.8Very high0 Ų032.3 Ų32.30%017%0.169CC..Hα-helixtrans-65.2-34.6178.8-78.677.1000113.2S63 N69 I70 G71 H352 F356 N411 D457S63-H67 WeakPolarHBondContact O-CB 3.27Å; S63-H67 PolarHBondContact O-N 3.34Å; S63-H67 PolarHBondContact O-ND1 3.49Å; S63-H67 VanDerWaalsContact O-ND1 3.17Å; H67-N69 VanDerWaalsContact C-N 3.35Å; H67-N69 PolarHBondContact O-N 2.92Å; H67-I70 PolarHBondContact O-N 3.35Å; H67-G71 PolarHBondContact O-N 2.95Å; H67-H352 HydrophobicContact CB-CB 4.18Å; H67-H352 WeakPolarHBondContact CB-O 3.11Å; H67-H352 VanDerWaalsContact CD2-C 3.45Å; H67-H352 PolarHBondContact CD2-O 2.99Å; H67-H352 VanDerWaalsContact CD2-O 3.3Å; H67-F356 HydrophobicContact CB-CB 4.18Å; H67-N411 PolarHBondContact CE1-OD1 2.96Å; H67-N411 PolarHBondContact NE2-OD1 3.23Å; H67-D457 IonicContact CE1-OD2 3.88Å; H67-D457 PolarHBondContact CE1-OD2 2.96Å; H67-D457 IonicContact ND1-OD2 3.53Å; H67-D457 PolarHBondContact ND1-OD2 2.76Å; H67-D457 VanDerWaalsContact ND1-OD2 3.12Å
68L97Very high95.8Very high15 Ų1526.3 Ų26.38%0.07914%0.141CC..Hα-helixtrans-60.3-44.2174.9179.259.3000111.8E64 V65 G66 A72 I76 F356E64-L68 WeakPolarHBondContact O-CB 3.39Å; E64-L68 PolarHBondContact O-N 2.82Å; E64-L68 VanDerWaalsContact O-N 3.09Å; V65-L68 PolarHBondContact O-N 2.67Å; G66-L68 VanDerWaalsContact C-N 3.32Å; G66-L68 PolarHBondContact O-N 3.2Å; L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 2.97Å; L68-I76 HydrophobicContact CD1-CG1 4.2Å; L68-I76 HydrophobicContact CD1-CG2 4.43Å; L68-I76 HydrophobicContact CD2-CB 3.84Å; L68-I76 HydrophobicContact CD2-CG1 4.36Å; L68-I76 HydrophobicContact CD2-CG2 3.54Å; L68-I76 HydrophobicContact CG-CB 3.83Å; L68-I76 HydrophobicContact CG-CG1 3.83Å; L68-I76 HydrophobicContact CG-CG2 3.96Å; L68-F356 WeakPolarHBondContact CA-O 3.43Å; L68-F356 WeakPolarHBondContact CD1-O 3.24Å
69N98.4Very high96Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-72-42.3178.4-76.7-92.9000112.1V53 V65 G66 H67 A72 G73 R74 V75 I76 L501V53-N69 PolarHBondContact O-ND2 2.92Å; V65-N69 PolarHBondContact O-N 2.74Å; V65-N69 PolarHBondContact O-ND2 2.69Å; G66-N69 PolarHBondContact O-N 3.4Å; H67-N69 VanDerWaalsContact C-N 3.35Å; H67-N69 PolarHBondContact O-N 2.92Å; N69-A72 PolarHBondContact O-N 2.59Å; N69-G73 PolarHBondContact O-N 3.14Å; N69-R74 PolarHBondContact OD1-O 3.31Å; N69-V75 WeakPolarHBondContact OD1-CA 3.33Å; N69-I76 PolarHBondContact OD1-N 3.32Å; N69-L501 HydrophobicContact CB-CB 4.12Å
70I98.8Very high96.1Very high0 Ų023.9 Ų23.90%012%0.116CC..Hα-helixtrans-55.9-53.3175.5-68.1169.8000110L10 V12 G66 H67 F357 T455 D457 L501 V504 A505L10-I70 HydrophobicContact CD2-CG2 4.23Å; V12-I70 HydrophobicContact CG1-CD1 4.19Å; V12-I70 HydrophobicContact CG2-CD1 4.18Å; G66-I70 VanDerWaalsContact O-CG1 3.25Å; G66-I70 WeakPolarHBondContact O-CG1 3.34Å; G66-I70 PolarHBondContact O-N 3.08Å; H67-I70 PolarHBondContact O-N 3.35Å; I70-F357 HydrophobicContact CG2-CD2 4.24Å; I70-F357 HydrophobicContact CG2-CE2 3.71Å; I70-T455 HydrophobicContact CD1-CG2 4Å; I70-D457 HydrophobicContact CD1-CB 4.38Å; I70-L501 WeakPolarHBondContact CA-O 3.48Å; I70-L501 HydrophobicContact CD1-CD2 4.22Å; I70-L501 HydrophobicContact CG1-CB 3.95Å; I70-L501 HydrophobicContact CG1-CD1 4.46Å; I70-L501 HydrophobicContact CG1-CD2 4.11Å; I70-L501 HydrophobicContact CG1-CG 4.4Å; I70-V504 HydrophobicContact CG1-CG2 4.43Å; I70-V504 HydrophobicContact CG2-CB 3.98Å; I70-V504 HydrophobicContact CG2-CG1 3.8Å; I70-A505 WeakPolarHBondContact O-CB 3.32Å
71G98.3Very high96.1Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-70.9-35.3-177.100000113.2H67 L330 F357H67-G71 PolarHBondContact O-N 2.95Å; G71-L330 WeakPolarHBondContact O-CB 2.96Å; G71-L330 PolarHBondContact O-N 2.93Å; G71-F357 WeakPolarHBondContact CA-O 3.32Å
72A98Very high96.1Very high0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-77.4-20.1-178.900000114.4L68 N69 R74 I76 V329L68-A72 WeakPolarHBondContact O-CB 3.33Å; L68-A72 PolarHBondContact O-N 2.97Å; N69-A72 PolarHBondContact O-N 2.59Å; A72-R74 HydrophobicContact CB-CG 4Å; A72-R74 WeakPolarHBondContact O-CD 3.37Å; A72-R74 PolarHBondContact O-N 3.18Å; A72-R74 PolarHBondContact O-NE 3.46Å; A72-R74 PolarHBondContact O-NH1 3.03Å; A72-I76 HydrophobicContact CB-CD1 3.79Å; A72-I76 HydrophobicContact CB-CG1 3.74Å; A72-V329 HydrophobicContact CB-CG1 4.21Å
73G98.4Very high96.2Very high0 Ų019.2 Ų19.20%09%0.09CC..THydrogen-bonded Turntrans63.924.4-178.200000113.8N69 C502 M520 T521 G522N69-G73 PolarHBondContact O-N 3.14Å; G73-C502 CarbonylContact C-O 3.58Å; G73-C502 WeakPolarHBondContact CA-O 3.06Å; G73-M520 CarbonylContact O-C 3.27Å; G73-M520 VanDerWaalsContact O-CA 3.27Å; G73-M520 WeakPolarHBondContact O-CA 3.5Å; G73-T521 PolarHBondContact O-N 3.23Å; G73-G522 PolarHBondContact O-N 3.1Å
74R97.8Very high96.2Very high19 Ų1921.2 Ų21.27%0.07210%0.1CC..SBendtrans-161.7161.7-179.461.8-142.1164.8-133.3-2.4109.8N69 A72 I76 K327 N328 E519 T521N69-R74 PolarHBondContact OD1-O 3.31Å; A72-R74 HydrophobicContact CB-CG 4Å; A72-R74 WeakPolarHBondContact O-CD 3.37Å; A72-R74 PolarHBondContact O-N 3.18Å; A72-R74 PolarHBondContact O-NE 3.46Å; A72-R74 PolarHBondContact O-NH1 3.03Å; R74-I76 HydrophobicContact CG-CD1 3.62Å; R74-I76 PolarHBondContact O-N 2.9Å; R74-K327 VanDerWaalsContact CZ-O 3.3Å; R74-K327 PolarHBondContact NH1-O 2.77Å; R74-K327 PolarHBondContact NH2-O 3.14Å; R74-N328 PolarHBondContact NH1-O 2.76Å; R74-N328 VanDerWaalsContact NH1-O 3.14Å; R74-E519 WeakPolarHBondContact CD-O 3.49Å; R74-T521 VanDerWaalsContact CB-OG1 3.25Å; R74-T521 WeakPolarHBondContact CB-OG1 3.41Å
75V96.7Very high96.1Very high33 Ų3321 Ų2120%0.210%0.101CC..  trans-70.5121175.5-1770000110.3L51 N69 Y77 C502L51-V75 WeakPolarHBondContact O-CG1 3.38Å; N69-V75 WeakPolarHBondContact OD1-CA 3.33Å; V75-Y77 HydrophobicContact CG1-CD1 4.01Å; V75-Y77 HydrophobicContact CG1-CE1 3.66Å; V75-Y77 HydrophobicContact CG1-CE2 4.32Å; V75-Y77 HydrophobicContact CG1-CG 4.48Å; V75-C502 HydrophobicContact CG2-CB 4.41Å
76I94.3Very high96.2Very high8 Ų821.6 Ų21.64%0.04111%0.105CC..  trans-101.5100.4174.5-53.9-54.2000110.1G54 L68 N69 A72 R74 Q78 H326G54-I76 WeakPolarHBondContact CA-O 3.46Å; L68-I76 HydrophobicContact CD1-CG1 4.2Å; L68-I76 HydrophobicContact CD1-CG2 4.43Å; L68-I76 HydrophobicContact CD2-CB 3.84Å; L68-I76 HydrophobicContact CD2-CG1 4.36Å; L68-I76 HydrophobicContact CD2-CG2 3.54Å; L68-I76 HydrophobicContact CG-CB 3.83Å; L68-I76 HydrophobicContact CG-CG1 3.83Å; L68-I76 HydrophobicContact CG-CG2 3.96Å; N69-I76 PolarHBondContact OD1-N 3.32Å; A72-I76 HydrophobicContact CB-CD1 3.79Å; A72-I76 HydrophobicContact CB-CG1 3.74Å; R74-I76 HydrophobicContact CG-CD1 3.62Å; R74-I76 PolarHBondContact O-N 2.9Å; I76-Q78 PolarHBondContact O-N 2.79Å; I76-Q78 PolarHBondContact O-NE2 3.34Å; I76-H326 WeakPolarHBondContact CG2-NE2 3.37Å
77Y93.5Very high96.2Very high89 Ų8923 Ų2335%0.34911%0.114SC..  trans-68.7125.1-179.2-62.6-69.2000111.7V75 V81 R82 M85V75-Y77 HydrophobicContact CG1-CD1 4.01Å; V75-Y77 HydrophobicContact CG1-CE1 3.66Å; V75-Y77 HydrophobicContact CG1-CE2 4.32Å; V75-Y77 HydrophobicContact CG1-CG 4.48Å; Y77-V81 HydrophobicContact CD1-CB 4.27Å; Y77-V81 HydrophobicContact CD1-CG1 3.55Å; Y77-V81 HydrophobicContact CE1-CG1 4.22Å; Y77-V81 HydrophobicContact CG-CG1 4.32Å; Y77-R82 WeakPolarHBondContact O-CD 3.43Å; Y77-R82 WeakPolarHBondContact O-CG 3.49Å; Y77-M85 HydrophobicContact CD1-SD 4.12Å; Y77-M85 HydrophobicContact CD2-SD 4.45Å; Y77-M85 HydrophobicContact CE1-SD 4.06Å; Y77-M85 HydrophobicContact CE2-SD 4.39Å; Y77-M85 HydrophobicContact CG-SD 4.31Å
78Q91.6Very high96Very high45 Ų4527.6 Ų27.621%0.2115%0.146CC..  trans-68.4159.2171.1-59.2-53.7-50.700110.5G54 L55 V65 I76 I80 V81 R82G54-Q78 WeakPolarHBondContact O-CB 3.19Å; G54-Q78 WeakPolarHBondContact O-CG 3.42Å; G54-Q78 PolarHBondContact O-N 3.39Å; L55-Q78 HydrophobicContact CD2-CB 4.34Å; L55-Q78 HydrophobicContact CD2-CG 3.67Å; L55-Q78 HydrophobicContact CG-CG 4.47Å; V65-Q78 HydrophobicContact CG1-CG 3.96Å; I76-Q78 PolarHBondContact O-N 2.79Å; I76-Q78 PolarHBondContact O-NE2 3.34Å; Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 HydrophobicContact CB-CG2 4.48Å; Q78-I80 PolarHBondContact O-N 3.25Å; Q78-V81 PolarHBondContact O-N 3.06Å; Q78-R82 PolarHBondContact O-N 3.25Å
79D93.8Very high96Very high50 Ų5031 Ų3127%0.26717%0.168SC..Hα-helixtrans-54.4-43.6-173.7-73.2-29.6000112.9V81 R82 I83 Y275 T309D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 2.94Å; D79-R82 PolarHBondContact O-N 3.17Å; D79-R82 IonicContact OD1-CZ 3.13Å; D79-R82 IonicContact OD1-NH1 3.98Å; D79-R82 PolarHBondContact OD1-NH1 3.48Å; D79-I83 HydrophobicContact CB-CD1 4.44Å; D79-I83 WeakPolarHBondContact O-CB 3.21Å; D79-I83 VanDerWaalsContact O-CD1 3.25Å; D79-I83 WeakPolarHBondContact O-CD1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.44Å; D79-I83 PolarHBondContact O-N 3.17Å; D79-Y275 HydrophobicContact CB-CD2 4.36Å; D79-Y275 HydrophobicContact CB-CG 4.4Å; D79-T309 HydrophobicContact CB-CG2 4.01Å; D79-T309 WeakPolarHBondContact OD2-CG2 3.36Å
80I93.8Very high95.9Very high19 Ų1932.1 Ų32.110%0.09718%0.18CC..Hα-helixtrans-55.9-40.6176.6-171.4177.6000112.1P56 Q78 N84 Y275P56-I80 HydrophobicContact CG-CD1 3.88Å; P56-I80 HydrophobicContact CG-CG1 4.35Å; P56-I80 HydrophobicContact CG-CG2 3.72Å; Q78-I80 VanDerWaalsContact C-N 3.29Å; Q78-I80 HydrophobicContact CB-CG2 4.48Å; Q78-I80 PolarHBondContact O-N 3.25Å; I80-N84 VanDerWaalsContact O-CB 3.3Å; I80-N84 WeakPolarHBondContact O-CB 3.44Å; I80-N84 PolarHBondContact O-N 3.13Å; I80-N84 PolarHBondContact O-ND2 3.39Å; I80-N84 PolarHBondContact O-OD1 2.86Å; I80-Y275 HydrophobicContact CB-CE1 4.01Å; I80-Y275 HydrophobicContact CB-CE2 4.08Å; I80-Y275 HydrophobicContact CD1-CE1 4.36Å; I80-Y275 WeakPolarHBondContact CD1-OH 3.24Å; I80-Y275 HydrophobicContact CG1-CE1 3.94Å
81V93.5Very high95.8Very high3 Ų338.5 Ų38.52%0.01821%0.207CC..Hα-helixtrans-75.6-43.3-179.5-176.50000111.1L51 G54 P56 Y77 Q78 D79 I83 N84 M85L51-V81 HydrophobicContact CD2-CG1 3.85Å; G54-V81 WeakPolarHBondContact O-CG2 3.44Å; P56-V81 HydrophobicContact CG-CG2 4.11Å; P56-V81 VanDerWaalsContact N-CG2 3.28Å; Y77-V81 HydrophobicContact CD1-CB 4.27Å; Y77-V81 HydrophobicContact CD1-CG1 3.55Å; Y77-V81 HydrophobicContact CE1-CG1 4.22Å; Y77-V81 HydrophobicContact CG-CG1 4.32Å; Q78-V81 PolarHBondContact O-N 3.06Å; D79-V81 VanDerWaalsContact C-N 3.26Å; D79-V81 PolarHBondContact O-N 2.94Å; V81-I83 PolarHBondContact O-N 3.34Å; V81-N84 PolarHBondContact O-N 3.24Å; V81-M85 HydrophobicContact CG1-CG 4.18Å; V81-M85 HydrophobicContact CG1-SD 3.97Å; V81-M85 WeakPolarHBondContact O-CB 3.38Å; V81-M85 VanDerWaalsContact O-CG 3.28Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.82Å
82R95.1Very high95.8Very high29 Ų2938.7 Ų38.711%0.10921%0.209CC..Hα-helixtrans-53.8-44.2174.2-67.2169.967.6-146.86.3110.7Y77 Q78 D79 A86 F321 P322 E324Y77-R82 WeakPolarHBondContact O-CD 3.43Å; Y77-R82 WeakPolarHBondContact O-CG 3.49Å; Q78-R82 PolarHBondContact O-N 3.25Å; D79-R82 PolarHBondContact O-N 3.17Å; D79-R82 IonicContact OD1-CZ 3.13Å; D79-R82 IonicContact OD1-NH1 3.98Å; D79-R82 PolarHBondContact OD1-NH1 3.48Å; R82-A86 WeakPolarHBondContact O-CB 3.5Å; R82-A86 PolarHBondContact O-N 2.89Å; R82-F321 HydrophobicContact CB-CD1 4.23Å; R82-P322 PolarHBondContact NH1-O 3.36Å; R82-P322 VanDerWaalsContact NH1-O 3.15Å; R82-P322 PolarHBondContact NH2-O 2.8Å; R82-E324 IonicContact CZ-OE1 3.71Å; R82-E324 IonicContact NE-OE1 3.12Å; R82-E324 PolarHBondContact NE-OE1 2.91Å; R82-E324 IonicContact NH2-OE1 3.88Å; R82-E324 PolarHBondContact NH2-OE1 2.66Å
83I97.5Very high95.8Very high0 Ų042.5 Ų42.50%023%0.225CC..Hα-helixtrans-70.9-46.7178.7-60.3159.3000110.8D79 V81 M85 A86 V87 H129 Y275 M308 F321D79-I83 HydrophobicContact CB-CD1 4.44Å; D79-I83 WeakPolarHBondContact O-CB 3.21Å; D79-I83 VanDerWaalsContact O-CD1 3.25Å; D79-I83 WeakPolarHBondContact O-CD1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.44Å; D79-I83 PolarHBondContact O-N 3.17Å; V81-I83 PolarHBondContact O-N 3.34Å; I83-M85 VanDerWaalsContact C-N 3.28Å; I83-M85 PolarHBondContact O-N 3.46Å; I83-A86 PolarHBondContact O-N 3.2Å; I83-A86 VanDerWaalsContact O-N 3.14Å; I83-V87 HydrophobicContact CG2-CG2 4.25Å; I83-V87 VanDerWaalsContact O-CG2 3.32Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.12Å; I83-H129 HydrophobicContact CG2-CB 4.04Å; I83-H129 VanDerWaalsContact CG2-CD2 3.41Å; I83-H129 WeakPolarHBondContact CG2-CD2 3.39Å; I83-H129 VanDerWaalsContact CG2-CG 3.45Å; I83-Y275 VanDerWaalsContact CD1-CB 3.44Å; I83-Y275 HydrophobicContact CD1-CD1 3.88Å; I83-Y275 HydrophobicContact CD1-CG 3.96Å; I83-M308 HydrophobicContact CD1-CE 4.18Å; I83-M308 HydrophobicContact CD1-CG 3.61Å; I83-M308 HydrophobicContact CD1-SD 4.12Å; I83-M308 HydrophobicContact CG1-CG 4.43Å; I83-M308 HydrophobicContact CG1-SD 4.37Å; I83-M308 HydrophobicContact CG2-CE 3.79Å; I83-F321 HydrophobicContact CB-CE2 4.4Å; I83-F321 HydrophobicContact CB-CZ 4.26Å; I83-F321 HydrophobicContact CD1-CD2 4.29Å; I83-F321 HydrophobicContact CG1-CD1 4.03Å; I83-F321 HydrophobicContact CG1-CD2 3.64Å; I83-F321 HydrophobicContact CG1-CE1 4Å; I83-F321 HydrophobicContact CG1-CE2 3.63Å; I83-F321 HydrophobicContact CG1-CG 3.85Å; I83-F321 HydrophobicContact CG1-CZ 3.81Å; I83-F321 HydrophobicContact CG2-CE2 4.34Å; I83-F321 HydrophobicContact CG2-CZ 4.39Å
84N96Very high95.8Very high49 Ų4948.6 Ų48.626%0.26225%0.253SS..Hα-helixtrans-54.9-44175.8-76.8-11.8000111.8I80 V81 V87 S88 H129I80-N84 VanDerWaalsContact O-CB 3.3Å; I80-N84 WeakPolarHBondContact O-CB 3.44Å; I80-N84 PolarHBondContact O-N 3.13Å; I80-N84 PolarHBondContact O-ND2 3.39Å; I80-N84 PolarHBondContact O-OD1 2.86Å; V81-N84 PolarHBondContact O-N 3.24Å; N84-V87 PolarHBondContact O-N 3.24Å; N84-S88 VanDerWaalsContact O-CB 3.29Å; N84-S88 WeakPolarHBondContact O-CB 3.18Å; N84-S88 PolarHBondContact O-N 2.91Å; N84-S88 PolarHBondContact O-OG 2.84Å; N84-H129 PolarHBondContact OD1-CD2 3.25Å; N84-H129 PolarHBondContact OD1-NE2 3.39Å
85M94Very high95.8Very high80 Ų8049 Ų4939%0.39426%0.257SS..Hα-helixtrans-64.9-45.2176.7-71177.472.700111.5Y77 V81 I83 V87 S88 T89Y77-M85 HydrophobicContact CD1-SD 4.12Å; Y77-M85 HydrophobicContact CD2-SD 4.45Å; Y77-M85 HydrophobicContact CE1-SD 4.06Å; Y77-M85 HydrophobicContact CE2-SD 4.39Å; Y77-M85 HydrophobicContact CG-SD 4.31Å; V81-M85 HydrophobicContact CG1-CG 4.18Å; V81-M85 HydrophobicContact CG1-SD 3.97Å; V81-M85 WeakPolarHBondContact O-CB 3.38Å; V81-M85 VanDerWaalsContact O-CG 3.28Å; V81-M85 WeakPolarHBondContact O-CG 3.48Å; V81-M85 PolarHBondContact O-N 2.82Å; I83-M85 VanDerWaalsContact C-N 3.28Å; I83-M85 PolarHBondContact O-N 3.46Å; M85-V87 VanDerWaalsContact C-N 3.31Å; M85-V87 PolarHBondContact O-N 3.11Å; M85-S88 WeakPolarHBondContact CA-OG 3.29Å; M85-S88 PolarHBondContact O-OG 3Å; M85-T89 WeakPolarHBondContact O-CB 3.43Å; M85-T89 VanDerWaalsContact O-CG2 3.29Å; M85-T89 WeakPolarHBondContact O-CG2 3.34Å; M85-T89 PolarHBondContact O-N 2.86Å; M85-T89 PolarHBondContact O-OG1 3.46Å
86A97.4Very high95.9Very high14 Ų1454 Ų5412%0.11628%0.278CS..Hα-helixtrans-62.3-38.6177.900000112.3R82 I83 G90 K91 I92 F321R82-A86 WeakPolarHBondContact O-CB 3.5Å; R82-A86 PolarHBondContact O-N 2.89Å; I83-A86 PolarHBondContact O-N 3.2Å; I83-A86 VanDerWaalsContact O-N 3.14Å; A86-G90 CarbonylContact O-C 3.55Å; A86-G90 PolarHBondContact O-N 3.49Å; A86-K91 PolarHBondContact O-N 2.83Å; A86-I92 HydrophobicContact CB-CB 4.16Å; A86-I92 PolarHBondContact O-N 3.06Å; A86-F321 HydrophobicContact CB-CE1 3.88Å; A86-F321 HydrophobicContact CB-CZ 3.74Å
87V97.7Very high96.1Very high29 Ų2954.8 Ų54.818%0.17628%0.283CS..Hα-helixtrans-70-54.6176.9170.90000111I83 N84 M85 T89 G90 I92I83-V87 HydrophobicContact CG2-CG2 4.25Å; I83-V87 VanDerWaalsContact O-CG2 3.32Å; I83-V87 WeakPolarHBondContact O-CG2 3.45Å; I83-V87 PolarHBondContact O-N 3.12Å; N84-V87 PolarHBondContact O-N 3.24Å; M85-V87 VanDerWaalsContact C-N 3.31Å; M85-V87 PolarHBondContact O-N 3.11Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.22Å; V87-G90 PolarHBondContact O-N 3.45Å; V87-I92 HydrophobicContact CG2-CD1 3.72Å; V87-I92 HydrophobicContact CG2-CG2 4.47Å
88S95.4Very high96.3Very high97 Ų9750.5 Ų50.568%0.67827%0.267SS*.Hα-helixtrans-64-34.3-175.756.90000113.5N84 M85 G90N84-S88 VanDerWaalsContact O-CB 3.29Å; N84-S88 WeakPolarHBondContact O-CB 3.18Å; N84-S88 PolarHBondContact O-N 2.91Å; N84-S88 PolarHBondContact O-OG 2.84Å; M85-S88 WeakPolarHBondContact CA-OG 3.29Å; M85-S88 PolarHBondContact O-OG 3Å; S88-G90 VanDerWaalsContact C-N 3.31Å
89T95.8Very high96.7Very high86 Ų8650.1 Ų50.153%0.52827%0.267SS..THydrogen-bonded Turntrans-84.5-4.6175.663.30000113.4M85 V87 K91M85-T89 WeakPolarHBondContact O-CB 3.43Å; M85-T89 VanDerWaalsContact O-CG2 3.29Å; M85-T89 WeakPolarHBondContact O-CG2 3.34Å; M85-T89 PolarHBondContact O-N 2.86Å; M85-T89 PolarHBondContact O-OG1 3.46Å; V87-T89 VanDerWaalsContact C-N 3.33Å; V87-T89 PolarHBondContact O-N 3.22Å; T89-K91 PolarHBondContact O-N 3Å; T89-K91 WeakPolarHBondContact OG1-CG 3.48Å
90G96.3Very high96.9Very high25 Ų2553.6 Ų53.626%0.25828%0.28SS..SBendtrans703.2-17500000114.9A86 V87 S88 I92 K93A86-G90 CarbonylContact O-C 3.55Å; A86-G90 PolarHBondContact O-N 3.49Å; V87-G90 PolarHBondContact O-N 3.45Å; S88-G90 VanDerWaalsContact C-N 3.31Å; G90-I92 PolarHBondContact O-N 3.26Å; G90-K93 WeakPolarHBondContact O-CD 3.3Å; G90-K93 WeakPolarHBondContact O-CE 3.27Å; G90-K93 WeakPolarHBondContact O-CG 3.1Å; G90-K93 PolarHBondContact O-N 2.86Å
91K97.3Very high97.1Very high133 Ų13352.7 Ų52.758%0.57828%0.275SS*.G310 helixtrans-65.4-17.7177.3-74-175.8176.3-176.20113.5A86 T89 K93 E94A86-K91 PolarHBondContact O-N 2.83Å; T89-K91 PolarHBondContact O-N 3Å; T89-K91 WeakPolarHBondContact OG1-CG 3.48Å; K91-K93 PolarHBondContact O-N 3.01Å; K91-K93 VanDerWaalsContact O-N 3.14Å; K91-E94 WeakPolarHBondContact O-CA 3.4Å; K91-E94 WeakPolarHBondContact O-CB 3.42Å; K91-E94 PolarHBondContact O-N 2.63Å
92I98.2Very high97.4Very high5 Ų552.5 Ų52.53%0.02627%0.274CS..G310 helixtrans-56.1-30.7175.8-169164.6000112.2A86 V87 G90 E94 N95 L98 L133 A136A86-I92 HydrophobicContact CB-CB 4.16Å; A86-I92 PolarHBondContact O-N 3.06Å; V87-I92 HydrophobicContact CG2-CD1 3.72Å; V87-I92 HydrophobicContact CG2-CG2 4.47Å; G90-I92 PolarHBondContact O-N 3.26Å; I92-E94 PolarHBondContact O-N 3.23Å; I92-N95 WeakPolarHBondContact O-CB 3.39Å; I92-N95 PolarHBondContact O-N 3.29Å; I92-L98 HydrophobicContact CG1-CD2 4.13Å; I92-L98 VanDerWaalsContact O-CD2 3.28Å; I92-L98 WeakPolarHBondContact O-CD2 3.39Å; I92-L133 HydrophobicContact CD1-CD2 3.82Å; I92-L133 HydrophobicContact CD1-CG 4.07Å; I92-L133 HydrophobicContact CG1-CD2 4.45Å; I92-A136 HydrophobicContact CG2-CB 4.19Å
93K97.8Very high97.5Very high80 Ų8054.8 Ų54.835%0.34829%0.288SS..G310 helixtrans-65.8-21.2174.879.5-163.6171-179.10113.5G90 K91 A136 H140G90-K93 WeakPolarHBondContact O-CD 3.3Å; G90-K93 WeakPolarHBondContact O-CE 3.27Å; G90-K93 WeakPolarHBondContact O-CG 3.1Å; G90-K93 PolarHBondContact O-N 2.86Å; K91-K93 PolarHBondContact O-N 3.01Å; K91-K93 VanDerWaalsContact O-N 3.14Å; K93-A136 HydrophobicContact CB-CB 4Å; K93-H140 PolarHBondContact O-CE1 3.04Å; K93-H140 PolarHBondContact O-NE2 2.82Å
94E98.3Very high97.5Very high127 Ų12756.7 Ų56.759%0.59330%0.299SS*.G310 helixtrans-93.2-5.6179.3-65.2164-154.200111.9K91 I92 E96K91-E94 WeakPolarHBondContact O-CA 3.4Å; K91-E94 WeakPolarHBondContact O-CB 3.42Å; K91-E94 PolarHBondContact O-N 2.63Å; I92-E94 PolarHBondContact O-N 3.23Å; E94-E96 PolarHBondContact O-N 3.34Å; E94-E96 VanDerWaalsContact O-N 3.17Å
95N98.5Very high97.6Very high28 Ų2854.4 Ų54.415%0.1529%0.286CS..  trans-59.6118.7178.6-177.5-74.5000111I92 T97 L98 V99 L320I92-N95 WeakPolarHBondContact O-CB 3.39Å; I92-N95 PolarHBondContact O-N 3.29Å; N95-T97 VanDerWaalsContact C-N 3.31Å; N95-T97 PolarHBondContact O-N 3.04Å; N95-T97 PolarHBondContact OD1-N 3.19Å; N95-T97 VanDerWaalsContact OD1-N 3.12Å; N95-L98 HydrophobicContact CB-CB 4Å; N95-L98 PolarHBondContact O-N 2.91Å; N95-L98 VanDerWaalsContact O-N 3.15Å; N95-L98 PolarHBondContact OD1-N 3.26Å; N95-V99 VanDerWaalsContact O-CG2 3.27Å; N95-V99 WeakPolarHBondContact O-CG2 3.33Å; N95-V99 PolarHBondContact O-N 3.12Å; N95-L320 PolarHBondContact ND2-O 2.83Å
96E98.2Very high97.7Very high139 Ų13954.5 Ų54.565%0.6529%0.285SS*.Hα-helixtrans-59.1-39.1-172.6-64.4-173.6-175.200113.6E94 V99 K100E94-E96 PolarHBondContact O-N 3.34Å; E94-E96 VanDerWaalsContact O-N 3.17Å; E96-V99 PolarHBondContact O-N 3.26Å; E96-K100 WeakPolarHBondContact O-CB 3.17Å; E96-K100 VanDerWaalsContact O-CG 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.18Å; E96-K100 PolarHBondContact O-N 3.12Å; E96-K100 IonicContact OE2-NZ 3.53Å
97T98.4Very high97.6Very high23 Ų2357.8 Ų57.814%0.14131%0.312CS..Hα-helixtrans-69.2-41.9179.3-58.90000110.8N95 V99 K100 A101 P318 L319 L320N95-T97 VanDerWaalsContact C-N 3.31Å; N95-T97 PolarHBondContact O-N 3.04Å; N95-T97 PolarHBondContact OD1-N 3.19Å; N95-T97 VanDerWaalsContact OD1-N 3.12Å; T97-V99 PolarHBondContact O-N 3.23Å; T97-K100 PolarHBondContact O-N 2.97Å; T97-A101 WeakPolarHBondContact O-CB 3.29Å; T97-A101 PolarHBondContact O-N 2.91Å; T97-P318 HydrophobicContact CG2-CB 3.55Å; T97-L319 VanDerWaalsContact CB-O 3.31Å; T97-L319 WeakPolarHBondContact CB-O 3.48Å; T97-L319 PolarHBondContact OG1-O 3.07Å; T97-L320 HydrophobicContact CG2-CD1 3.81Å; T97-L320 HydrophobicContact CG2-CG 4.4Å
98L98.7Very high97.4Very high0 Ų061.8 Ų61.80%033%0.327CS..Hα-helixtrans-61.4-44.2173.9-179.963.1000111.7I92 N95 K100 A101 C102 L133 A136 I137 I271 L320I92-L98 HydrophobicContact CG1-CD2 4.13Å; I92-L98 VanDerWaalsContact O-CD2 3.28Å; I92-L98 WeakPolarHBondContact O-CD2 3.39Å; N95-L98 HydrophobicContact CB-CB 4Å; N95-L98 PolarHBondContact O-N 2.91Å; N95-L98 VanDerWaalsContact O-N 3.15Å; N95-L98 PolarHBondContact OD1-N 3.26Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.49Å; L98-A101 PolarHBondContact O-N 3.01Å; L98-C102 WeakPolarHBondContact O-CB 3.44Å; L98-C102 PolarHBondContact O-N 2.94Å; L98-C102 PolarHBondContact O-SG 3.47Å; L98-L133 HydrophobicContact CD1-CD2 4.03Å; L98-L133 HydrophobicContact CD2-CD2 4.23Å; L98-A136 HydrophobicContact CD2-CB 3.54Å; L98-I137 HydrophobicContact CD1-CG1 4.07Å; L98-I271 HydrophobicContact CD1-CD1 3.45Å; L98-I271 VanDerWaalsContact CD1-CD1 3.45Å; L98-L320 HydrophobicContact CB-CD2 4.31Å
99V98.7Very high97.2Very high36 Ų3659.6 Ų59.622%0.21831%0.307CS..Hα-helixtrans-60.3-44.6177174.70000110.5N95 E96 T97 C102 N103N95-V99 VanDerWaalsContact O-CG2 3.27Å; N95-V99 WeakPolarHBondContact O-CG2 3.33Å; N95-V99 PolarHBondContact O-N 3.12Å; E96-V99 PolarHBondContact O-N 3.26Å; T97-V99 PolarHBondContact O-N 3.23Å; V99-C102 PolarHBondContact O-N 3.34Å; V99-N103 WeakPolarHBondContact O-CB 3.41Å; V99-N103 VanDerWaalsContact O-CG 3.27Å; V99-N103 PolarHBondContact O-N 3.21Å; V99-N103 PolarHBondContact O-ND2 3.19Å
100K98.5Very high97.1Very high123 Ų12355.9 Ų55.954%0.53529%0.286SS..Hα-helixtrans-60.9-45.8175.8-74.9168-173.2165.60111.6E96 T97 L98 C102 N103 N104E96-K100 WeakPolarHBondContact O-CB 3.17Å; E96-K100 VanDerWaalsContact O-CG 3.24Å; E96-K100 WeakPolarHBondContact O-CG 3.18Å; E96-K100 PolarHBondContact O-N 3.12Å; E96-K100 IonicContact OE2-NZ 3.53Å; T97-K100 PolarHBondContact O-N 2.97Å; L98-K100 VanDerWaalsContact C-N 3.33Å; L98-K100 PolarHBondContact O-N 3.49Å; K100-C102 PolarHBondContact O-N 3.08Å; K100-N103 PolarHBondContact O-N 2.67Å; K100-N104 WeakPolarHBondContact O-CB 3.25Å; K100-N104 PolarHBondContact O-N 3.43Å
101A98.4Very high97.1Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-60.9-44.8175.800000111.6T97 L98 N103 N104 A105 I112 T269 I271T97-A101 WeakPolarHBondContact O-CB 3.29Å; T97-A101 PolarHBondContact O-N 2.91Å; L98-A101 PolarHBondContact O-N 3.01Å; A101-N103 VanDerWaalsContact C-N 3.35Å; A101-N103 PolarHBondContact O-N 3.23Å; A101-N104 PolarHBondContact O-N 3.14Å; A101-A105 PolarHBondContact O-N 3.44Å; A101-I112 HydrophobicContact CB-CD1 4.41Å; A101-T269 HydrophobicContact CB-CG2 3.95Å; A101-T269 WeakPolarHBondContact O-CG2 3.31Å; A101-I271 HydrophobicContact CB-CD1 4.26Å; A101-I271 HydrophobicContact CB-CG1 4.49Å
102C98.7Very high97.1Very high0 Ų049 Ų490%025%0.248CC..Hα-helixtrans-62-41.3176.5-67.70000112.3L98 V99 K100 A105 K106 H140 V142L98-C102 WeakPolarHBondContact O-CB 3.44Å; L98-C102 PolarHBondContact O-N 2.94Å; L98-C102 PolarHBondContact O-SG 3.47Å; V99-C102 PolarHBondContact O-N 3.34Å; K100-C102 PolarHBondContact O-N 3.08Å; C102-A105 PolarHBondContact O-N 2.83Å; C102-K106 WeakPolarHBondContact O-CE 3.38Å; C102-K106 WeakPolarHBondContact O-CG 3.42Å; C102-K106 PolarHBondContact O-N 3.04Å; C102-K106 VanDerWaalsContact O-N 3.08Å; C102-H140 HydrophobicContact CB-CB 3.72Å; C102-V142 HydrophobicContact CB-CG2 3.67Å
103N98.5Very high97.1Very high76 Ų7648.8 Ų48.841%0.40625%0.247SC..Hα-helixtrans-67.9-38.1176.8-71.8-22.4000111.9V99 K100 A101 K106 A107V99-N103 WeakPolarHBondContact O-CB 3.41Å; V99-N103 VanDerWaalsContact O-CG 3.27Å; V99-N103 PolarHBondContact O-N 3.21Å; V99-N103 PolarHBondContact O-ND2 3.19Å; K100-N103 PolarHBondContact O-N 2.67Å; A101-N103 VanDerWaalsContact C-N 3.35Å; A101-N103 PolarHBondContact O-N 3.23Å; N103-K106 PolarHBondContact O-N 3.34Å; N103-K106 WeakPolarHBondContact OD1-CE 3.46Å; N103-K106 PolarHBondContact OD1-NZ 2.8Å; N103-A107 WeakPolarHBondContact O-CB 3.44Å; N103-A107 PolarHBondContact O-N 3.24Å
104N97.3Very high97.1Very high41 Ų4145 Ų4522%0.21923%0.231CC..Hα-helixtrans-60.3-49.7173-175.178.7000111.2K100 A101 K106 A107 K108 T269 H304K100-N104 WeakPolarHBondContact O-CB 3.25Å; K100-N104 PolarHBondContact O-N 3.43Å; A101-N104 PolarHBondContact O-N 3.14Å; N104-K106 VanDerWaalsContact C-N 3.34Å; N104-K106 PolarHBondContact O-N 3.12Å; N104-A107 PolarHBondContact O-N 3.26Å; N104-K108 WeakPolarHBondContact O-CB 3.29Å; N104-K108 VanDerWaalsContact O-CG 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.46Å; N104-K108 PolarHBondContact O-N 3.49Å; N104-K108 VanDerWaalsContact O-N 3.12Å; N104-T269 PolarHBondContact ND2-OG1 3.38Å; N104-H304 WeakPolarHBondContact ND2-CB 3.43Å
105A96.7Very high97.2Very high0 Ų038.9 Ų38.90%020%0.202CC..Hα-helixtrans-55.8-47.8177.600000111.6A101 C102 A107 K108 G110 R111 I112 V142 T269A101-A105 PolarHBondContact O-N 3.44Å; C102-A105 PolarHBondContact O-N 2.83Å; A105-A107 PolarHBondContact O-N 2.93Å; A105-K108 PolarHBondContact O-N 3.37Å; A105-G110 WeakPolarHBondContact O-CA 3.26Å; A105-G110 PolarHBondContact O-N 3.29Å; A105-R111 WeakPolarHBondContact CB-O 3.27Å; A105-I112 HydrophobicContact CB-CB 4.15Å; A105-V142 HydrophobicContact CB-CG1 3.76Å; A105-V142 HydrophobicContact CB-CG2 4.45Å; A105-T269 WeakPolarHBondContact CA-OG1 3.34Å; A105-T269 HydrophobicContact CB-CG2 4.4Å; A105-T269 PolarHBondContact N-OG1 3.4Å
106K97.2Very high97.2Very high83 Ų8337.6 Ų37.636%0.36120%0.195SC..Hα-helixtrans-63.1-37.5178-73.8-179.8-62.7-171.50113.7C102 N103 N104 K108 H140 V142C102-K106 WeakPolarHBondContact O-CE 3.38Å; C102-K106 WeakPolarHBondContact O-CG 3.42Å; C102-K106 PolarHBondContact O-N 3.04Å; C102-K106 VanDerWaalsContact O-N 3.08Å; N103-K106 PolarHBondContact O-N 3.34Å; N103-K106 WeakPolarHBondContact OD1-CE 3.46Å; N103-K106 PolarHBondContact OD1-NZ 2.8Å; N104-K106 VanDerWaalsContact C-N 3.34Å; N104-K106 PolarHBondContact O-N 3.12Å; K106-K108 VanDerWaalsContact C-N 3.26Å; K106-K108 PolarHBondContact O-N 3.43Å; K106-H140 WeakPolarHBondContact CD-O 3.45Å; K106-H140 WeakPolarHBondContact CE-O 3.46Å; K106-H140 PolarHBondContact NZ-O 2.99Å; K106-V142 HydrophobicContact CG-CG2 4.28Å
107A96.1Very high97.2Very high82 Ų8231 Ų3168%0.67817%0.165SC*.Hα-helixtrans-76.7-13.8-179.200000113.5N103 N104 A105N103-A107 WeakPolarHBondContact O-CB 3.44Å; N103-A107 PolarHBondContact O-N 3.24Å; N104-A107 PolarHBondContact O-N 3.26Å; A105-A107 PolarHBondContact O-N 2.93Å
108K92Very high97.2Very high114 Ų11429.9 Ų29.950%0.49616%0.158SC..THydrogen-bonded Turntrans-108.5-110.2-178.4-61.8-63.6-172.21630110.5N104 A105 K106 N267N104-K108 WeakPolarHBondContact O-CB 3.29Å; N104-K108 VanDerWaalsContact O-CG 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.46Å; N104-K108 PolarHBondContact O-N 3.49Å; N104-K108 VanDerWaalsContact O-N 3.12Å; A105-K108 PolarHBondContact O-N 3.37Å; K106-K108 VanDerWaalsContact C-N 3.26Å; K106-K108 PolarHBondContact O-N 3.43Å; K108-N267 HydrophobicContact CB-CB 3.89Å; K108-N267 HydrophobicContact CD-CB 4.09Å; K108-N267 HydrophobicContact CG-CB 4.04Å; K108-N267 PolarHBondContact NZ-OD1 2.94Å
109N91.5Very high97.1Very high51 Ų5130 Ų3027%0.27316%0.158SC..THydrogen-bonded Turntrans-101.53-172.566.311000113.6R111 D268N109-R111 VanDerWaalsContact C-N 3.3Å; N109-R111 PolarHBondContact O-N 3.01Å; N109-R111 VanDerWaalsContact OD1-CB 3.28Å; N109-R111 WeakPolarHBondContact OD1-CB 3.12Å; N109-R111 PolarHBondContact OD1-N 3.12Å; N109-D268 PolarHBondContact ND2-OD1 2.89Å
110G94.3Very high97Very high7 Ų732.7 Ų32.77%0.07217%0.172CC..SBendtrans76.89.9179.600000114.9A105 V142 P143 K144A105-G110 WeakPolarHBondContact O-CA 3.26Å; A105-G110 PolarHBondContact O-N 3.29Å; G110-V142 WeakPolarHBondContact O-CG1 3.46Å; G110-P143 WeakPolarHBondContact O-CD 3.47Å; G110-K144 PolarHBondContact O-N 3.36Å
111R95.2Very high96.6Very high14 Ų1428 Ų285%0.05316%0.159CC..EExtended strand (participates in β ladder)trans-113.3134.1-171.1-57.5160.453.396.65.9111.3A105 N109 H113 K144 F146 E244 R246 D268 T269A105-R111 WeakPolarHBondContact CB-O 3.27Å; N109-R111 VanDerWaalsContact C-N 3.3Å; N109-R111 PolarHBondContact O-N 3.01Å; N109-R111 VanDerWaalsContact OD1-CB 3.28Å; N109-R111 WeakPolarHBondContact OD1-CB 3.12Å; N109-R111 PolarHBondContact OD1-N 3.12Å; R111-H113 PolarHBondContact NH2-CE1 3.06Å; R111-K144 HydrophobicContact CG-CB 4.34Å; R111-F146 HydrophobicContact CB-CE2 4.1Å; R111-F146 HydrophobicContact CG-CE2 4.02Å; R111-E244 PolarHBondContact NH1-O 3.5Å; R111-E244 PolarHBondContact NH2-O 2.72Å; R111-R246 PolarHBondContact NH2-O 3Å; R111-D268 WeakPolarHBondContact CB-OD1 3.39Å; R111-D268 WeakPolarHBondContact CD-OD1 3.4Å; R111-D268 IonicContact CZ-OD1 3.9Å; R111-D268 IonicContact NE-OD1 2.78Å; R111-D268 PolarHBondContact NE-OD1 3.39Å; R111-D268 IonicContact NE-OD2 3.17Å; R111-D268 IonicContact NH2-OD2 3.66Å; R111-T269 PolarHBondContact O-N 3.47Å
112I97.7Very high96.2Very high0 Ų029.3 Ų29.30%017%0.172CC..EExtended strand (participates in β ladder)trans-131.7138.9171.6-165.6164.2000110.4A101 A105 I137 V142 K144 C145 F146 T269 I271A101-I112 HydrophobicContact CB-CD1 4.41Å; A105-I112 HydrophobicContact CB-CB 4.15Å; I112-I137 HydrophobicContact CD1-CD1 4.03Å; I112-I137 HydrophobicContact CD1-CG1 4.31Å; I112-I137 HydrophobicContact CG1-CD1 4.48Å; I112-I137 HydrophobicContact CG2-CD1 4.08Å; I112-I137 HydrophobicContact CG2-CG2 3.56Å; I112-V142 HydrophobicContact CB-CG1 4.16Å; I112-V142 HydrophobicContact CG2-CB 4.36Å; I112-V142 HydrophobicContact CG2-CG1 3.75Å; I112-K144 PolarHBondContact N-O 3.28Å; I112-C145 HydrophobicContact CG2-CB 4Å; I112-C145 CarbonylContact O-C 3.54Å; I112-C145 WeakPolarHBondContact O-CA 3.38Å; I112-F146 PolarHBondContact O-N 3.45Å; I112-T269 CarbonylContact C-O 3.3Å; I112-T269 VanDerWaalsContact CA-O 3.29Å; I112-T269 WeakPolarHBondContact CA-O 3.41Å; I112-T269 HydrophobicContact CD1-CG2 3.85Å; I112-T269 HydrophobicContact CG1-CG2 3.86Å; I112-I271 HydrophobicContact CD1-CD1 3.88Å; I112-I271 HydrophobicContact CD1-CG1 4.27Å
113H98.3Very high95.9Very high0 Ų031.5 Ų31.50%019%0.185CC..EExtended strand (participates in β ladder)trans-116.9128.3-177.2-62.5-95.7000110R111 L115 F146 H148 G245 D268 T269 M270 I271R111-H113 PolarHBondContact NH2-CE1 3.06Å; H113-L115 HydrophobicContact CB-CD1 3.76Å; H113-F146 CarbonylContact C-O 3.57Å; H113-F146 WeakPolarHBondContact CA-O 3.22Å; H113-F146 AromaticContact CE1-CD2 3.33Å; H113-F146 WeakPolarHBondContact CE1-CD2 2.92Å; H113-F146 AromaticContact CE1-CG 3.92Å; H113-F146 AromaticContact ND1-CD2 3.73Å; H113-F146 AromaticContact ND1-CG 3.99Å; H113-F146 AromaticContact NE2-CD2 3.74Å; H113-H148 AromaticContact CG-NE2 3.86Å; H113-H148 AromaticContact ND1-CD2 3.88Å; H113-H148 AromaticContact ND1-NE2 3.09Å; H113-H148 PolarHBondContact ND1-NE2 2.82Å; H113-G245 PolarHBondContact CE1-O 2.91Å; H113-G245 PolarHBondContact ND1-O 3.23Å; H113-D268 IonicContact CD2-OD2 2.72Å; H113-D268 VanDerWaalsContact NE2-CG 3.34Å; H113-D268 IonicContact NE2-OD1 3.25Å; H113-D268 IonicContact NE2-OD2 3.86Å; H113-D268 PolarHBondContact NE2-OD2 3.15Å; H113-T269 PolarHBondContact N-O 3.47Å; H113-M270 HydrophobicContact CB-CG 4.26Å; H113-M270 CarbonylContact O-C 3.39Å; H113-M270 WeakPolarHBondContact O-CA 3.48Å; H113-I271 PolarHBondContact O-N 2.88Å
114L98.8Very high95.7Very high0 Ų028 Ų280%017%0.166CC..EExtended strand (participates in β ladder)trans-100.2123.3169.8-62.6-175.3000108.5M130 L133 V134 I137 F146 H148 I271 F273L114-M130 HydrophobicContact CD1-CG 4.23Å; L114-L133 HydrophobicContact CD1-CB 3.84Å; L114-L133 HydrophobicContact CD2-CB 4.28Å; L114-L133 HydrophobicContact CD2-CD1 4.25Å; L114-V134 HydrophobicContact CD1-CG2 3.62Å; L114-I137 HydrophobicContact CD1-CD1 4.19Å; L114-I137 HydrophobicContact CD2-CD1 3.75Å; L114-I137 HydrophobicContact CG-CD1 4.16Å; L114-F146 PolarHBondContact N-O 3.49Å; L114-H148 PolarHBondContact O-N 2.97Å; L114-I271 HydrophobicContact CD2-CB 3.78Å; L114-I271 HydrophobicContact CD2-CD1 4.19Å; L114-I271 HydrophobicContact CD2-CG1 4.37Å; L114-I271 HydrophobicContact CD2-CG2 4.32Å; L114-F273 HydrophobicContact CB-CD1 3.92Å; L114-F273 HydrophobicContact CB-CE1 4.03Å
115L98.7Very high95.7Very high0 Ų026.1 Ų26.10%016%0.156CC..EExtended strand (participates in β ladder)trans-124.8128.6178.6-6377.6000109.6H113 H148 F150 L206 I247 M270 I271 L272 F273 L283 F287H113-L115 HydrophobicContact CB-CD1 3.76Å; L115-H148 HydrophobicContact CB-CB 4.46Å; L115-H148 HydrophobicContact CG-CB 3.97Å; L115-F150 HydrophobicContact CB-CE2 4.31Å; L115-F150 HydrophobicContact CB-CZ 3.84Å; L115-F150 HydrophobicContact CD2-CZ 4.2Å; L115-F150 HydrophobicContact CG-CZ 4.45Å; L115-L206 HydrophobicContact CD2-CD1 4.13Å; L115-I247 HydrophobicContact CD2-CD1 3.93Å; L115-M270 HydrophobicContact CD1-CB 4.33Å; L115-M270 HydrophobicContact CD1-CE 3.75Å; L115-M270 HydrophobicContact CD1-CG 4.4Å; L115-M270 HydrophobicContact CD2-CE 3.66Å; L115-M270 HydrophobicContact CG-CE 4.39Å; L115-I271 PolarHBondContact N-O 3.27Å; L115-L272 HydrophobicContact CB-CD2 3.72Å; L115-L272 HydrophobicContact CD1-CD2 4.3Å; L115-L272 HydrophobicContact CD2-CD2 3.96Å; L115-L272 HydrophobicContact CG-CD2 4.21Å; L115-L272 CarbonylContact O-C 3.58Å; L115-L272 WeakPolarHBondContact O-CA 3.23Å; L115-F273 WeakPolarHBondContact O-CD1 3.27Å; L115-F273 PolarHBondContact O-N 3.2Å; L115-L283 HydrophobicContact CD2-CD2 4.41Å; L115-F287 HydrophobicContact CD2-CE2 4.47Å
116G98.6Very high95.7Very high0 Ų027.6 Ų27.60%016%0.163CC..EExtended strand (participates in β ladder)trans168.6170.6178.700000113.7H148 F150 F273 D274G116-H148 PolarHBondContact N-O 2.93Å; G116-F150 WeakPolarHBondContact O-CB 3.46Å; G116-F150 PolarHBondContact O-N 3.38Å; G116-F273 VanDerWaalsContact C-CZ 3.45Å; G116-F273 WeakPolarHBondContact O-CZ 3.39Å; G116-D274 WeakPolarHBondContact CA-OD1 3.47Å
117L98.6Very high95.8Very high1 Ų124 Ų241%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-63.3136.9175.7-16572.8000110H124 S125 F150 D152 R186 M190 F273 D274L117-H124 HydrophobicContact CB-CB 4.49Å; L117-H124 HydrophobicContact CD2-CB 3.84Å; L117-S125 VanDerWaalsContact C-OG 3.28Å; L117-S125 WeakPolarHBondContact CB-OG 3.03Å; L117-S125 PolarHBondContact O-OG 3.35Å; L117-F150 CarbonylContact C-O 3.48Å; L117-F150 WeakPolarHBondContact CA-O 3.25Å; L117-F150 HydrophobicContact CD1-CB 4.31Å; L117-F150 WeakPolarHBondContact CD1-O 3.41Å; L117-D152 HydrophobicContact CD1-CB 3.73Å; L117-D152 HydrophobicContact CD2-CB 4.15Å; L117-D152 HydrophobicContact CG-CB 4.04Å; L117-R186 HydrophobicContact CD1-CB 3.84Å; L117-M190 HydrophobicContact CB-CE 4.24Å; L117-M190 HydrophobicContact CB-SD 3.9Å; L117-M190 HydrophobicContact CD1-SD 3.79Å; L117-M190 HydrophobicContact CG-SD 4.35Å; L117-F273 VanDerWaalsContact O-CE2 3.27Å; L117-F273 WeakPolarHBondContact O-CE2 3.42Å; L117-D274 PolarHBondContact N-OD1 2.91Å
118V98.5Very high95.9Very high0 Ų023.9 Ų23.90%014%0.135CC..  trans-125.396.5179.5-175.90000109.6I127 F149 F150 V168 F273V118-I127 HydrophobicContact CG1-CB 4.16Å; V118-I127 HydrophobicContact CG1-CD1 3.76Å; V118-I127 HydrophobicContact CG1-CG1 3.73Å; V118-F149 HydrophobicContact CB-CD1 4.27Å; V118-F149 HydrophobicContact CB-CD2 3.49Å; V118-F149 VanDerWaalsContact CB-CD2 3.49Å; V118-F149 HydrophobicContact CB-CE1 4.17Å; V118-F149 HydrophobicContact CB-CE2 3.39Å; V118-F149 HydrophobicContact CB-CG 3.93Å; V118-F149 HydrophobicContact CB-CZ 3.72Å; V118-F149 HydrophobicContact CG1-CD2 3.63Å; V118-F149 HydrophobicContact CG1-CE2 3.27Å; V118-F149 HydrophobicContact CG1-CZ 3.94Å; V118-F149 HydrophobicContact CG2-CB 4.35Å; V118-F149 HydrophobicContact CG2-CD2 3.73Å; V118-F149 HydrophobicContact CG2-CE2 4.17Å; V118-F149 HydrophobicContact CG2-CG 3.98Å; V118-F149 WeakPolarHBondContact O-CZ 3.29Å; V118-F150 PolarHBondContact N-O 2.8Å; V118-V168 HydrophobicContact CG1-CG2 3.86Å; V118-F273 HydrophobicContact CG2-CZ 3.89Å
119S97.6Very high96.2Very high1 Ų118.4 Ų18.41%0.00711%0.112CC..SBendtrans-157.8176.7172.567.60000109.5G121 H126 I127 D152S119-G121 VanDerWaalsContact C-N 3.34Å; S119-G121 PolarHBondContact OG-N 3.09Å; S119-H126 CarbonylContact O-C 3.58Å; S119-I127 PolarHBondContact O-N 2.83Å; S119-D152 PolarHBondContact OG-OD2 2.9Å
120D95.4Very high96.5Very high93 Ų9316 Ų1650%0.49710%0.099SC..SBendtrans-938.5168.863.8-3.6000112.8G122 T156 F164D120-G122 PolarHBondContact O-N 3.29Å; D120-G122 VanDerWaalsContact O-N 3.14Å; D120-T156 WeakPolarHBondContact OD1-CG2 3.48Å; D120-F164 HydrophobicContact CB-CE1 4.1Å; D120-F164 HydrophobicContact CB-CZ 4.41Å; D120-F164 WeakPolarHBondContact OD1-CZ 3.33Å
121G91Very high96.7Very high26 Ų2617.5 Ų17.527%0.26810%0.103SC..  trans-62.1-25.1-174.900000114.2S119 V123S119-G121 VanDerWaalsContact C-N 3.34Å; S119-G121 PolarHBondContact OG-N 3.09Å; G121-V123 PolarHBondContact O-N 3.37Å
122G90.2Very high96.9Very high26 Ų2616.9 Ų16.927%0.26810%0.101SC..  trans64.224172.400000114.5D120 S125 Y275D120-G122 PolarHBondContact O-N 3.29Å; D120-G122 VanDerWaalsContact O-N 3.14Å; G122-S125 WeakPolarHBondContact CA-O 3.35Å; G122-Y275 PolarHBondContact O-OH 3.3Å
123V91.1Very high97Very high47 Ų4716.9 Ų16.929%0.28510%0.101SC..SBendtrans-100.3-46.7177.7-179.70000112.2G121 D155 Y275 R276G121-V123 PolarHBondContact O-N 3.37Å; V123-D155 HydrophobicContact CB-CB 4.17Å; V123-D155 WeakPolarHBondContact CB-OD2 3.01Å; V123-D155 HydrophobicContact CG2-CB 3.73Å; V123-Y275 PolarHBondContact N-OH 2.92Å; V123-R276 WeakPolarHBondContact O-CB 2.89Å; V123-R276 VanDerWaalsContact O-CD 3.24Å; V123-R276 WeakPolarHBondContact O-CD 3.5Å
124H95.6Very high97Very high3 Ų316.9 Ų16.91%0.01410%0.101CC..SBendtrans-109.1-35.5-179.3-73.9-89.1000113.7L117 D155 R186 M190 D274 Y275 R276 D278 R279L117-H124 HydrophobicContact CB-CB 4.49Å; L117-H124 HydrophobicContact CD2-CB 3.84Å; H124-D155 IonicContact CD2-OD2 2.67Å; H124-D155 PolarHBondContact CD2-OD2 2.68Å; H124-R186 PolarHBondContact CD2-NH2 3.23Å; H124-R186 PolarHBondContact NE2-NH2 3.46Å; H124-M190 HydrophobicContact CB-CE 4.01Å; H124-D274 CarbonylContact O-C 3.13Å; H124-D274 VanDerWaalsContact O-CA 3.24Å; H124-D274 WeakPolarHBondContact O-CA 3.14Å; H124-D274 VanDerWaalsContact O-CB 3.31Å; H124-D274 WeakPolarHBondContact O-CB 3.44Å; H124-Y275 PolarHBondContact O-N 3.39Å; H124-R276 HydrophobicContact CB-CB 4.28Å; H124-R276 VanDerWaalsContact CE1-CD 3.42Å; H124-R276 WeakPolarHBondContact CE1-CD 3.3Å; H124-R276 PolarHBondContact O-N 2.88Å; H124-R276 VanDerWaalsContact O-N 3.15Å; H124-D278 IonicContact CE1-OD1 2.69Å; H124-D278 PolarHBondContact CE1-OD1 3.35Å; H124-D278 IonicContact ND1-OD1 2.91Å; H124-R279 WeakPolarHBondContact CE1-CD 3.33Å
125S97Very high97Very high0 Ų021.2 Ų21.20%012%0.121CC..  trans-156.4-179.3-178.669.20000107.6L117 G122L117-S125 VanDerWaalsContact C-OG 3.28Å; L117-S125 WeakPolarHBondContact CB-OG 3.03Å; L117-S125 PolarHBondContact O-OG 3.35Å; G122-S125 WeakPolarHBondContact CA-O 3.35Å
126H97.2Very high97Very high31 Ų3121.4 Ų21.414%0.14412%0.123CC..  trans-139.8142.8166.6-167.7-79.2000110S119 N128 H129S119-H126 CarbonylContact O-C 3.58Å; H126-N128 PolarHBondContact CE1-ND2 3.42Å; H126-N128 VanDerWaalsContact CE1-ND2 3.28Å; H126-N128 WeakPolarHBondContact ND1-CB 3.42Å; H126-N128 PolarHBondContact ND1-N 2.91Å; H126-N128 VanDerWaalsContact ND1-N 3.13Å; H126-N128 PolarHBondContact O-N 2.79Å; H126-H129 PolarHBondContact N-ND1 3.1Å; H126-H129 WeakPolarHBondContact O-CA 3.41Å; H126-H129 WeakPolarHBondContact O-CB 3.29Å; H126-H129 PolarHBondContact O-N 3.26Å
127I98.3Very high97Very high9 Ų921.4 Ų21.45%0.04612%0.123CC..Hα-helixtrans-54.2-38.3-179.7-172.1166.5000112.7V118 S119 H129 M130 Y131 F164 D167 V168V118-I127 HydrophobicContact CG1-CB 4.16Å; V118-I127 HydrophobicContact CG1-CD1 3.76Å; V118-I127 HydrophobicContact CG1-CG1 3.73Å; S119-I127 PolarHBondContact O-N 2.83Å; I127-H129 PolarHBondContact O-N 3.47Å; I127-M130 WeakPolarHBondContact O-CB 3.15Å; I127-M130 PolarHBondContact O-N 2.52Å; I127-Y131 HydrophobicContact CD1-CE1 4.42Å; I127-Y131 HydrophobicContact CD1-CE2 4.32Å; I127-Y131 WeakPolarHBondContact CD1-OH 3.21Å; I127-Y131 HydrophobicContact CG1-CE1 4.06Å; I127-Y131 HydrophobicContact CG1-CE2 3.91Å; I127-Y131 PolarHBondContact O-N 3.23Å; I127-F164 HydrophobicContact CD1-CB 4.42Å; I127-F164 HydrophobicContact CD1-CD1 4.24Å; I127-D167 HydrophobicContact CD1-CB 4.26Å; I127-V168 HydrophobicContact CD1-CG2 3.98Å; I127-V168 HydrophobicContact CG1-CG2 4.46Å
128N98.1Very high97Very high78 Ų7825.1 Ų25.142%0.41714%0.139SC..Hα-helixtrans-59.5-29.5173.2-66.6-18.2000113.9H126 Y131 G132H126-N128 PolarHBondContact CE1-ND2 3.42Å; H126-N128 VanDerWaalsContact CE1-ND2 3.28Å; H126-N128 WeakPolarHBondContact ND1-CB 3.42Å; H126-N128 PolarHBondContact ND1-N 2.91Å; H126-N128 VanDerWaalsContact ND1-N 3.13Å; H126-N128 PolarHBondContact O-N 2.79Å; N128-Y131 PolarHBondContact O-N 3.11Å; N128-G132 PolarHBondContact O-N 3.46Å
129H98.5Very high97Very high0 Ų030.5 Ų30.50%016%0.164CC..Hα-helixtrans-65.9-43.5174.2-56.3172.3000110.5I83 N84 H126 I127 Y131 G132 L133 Y275 M308I83-H129 HydrophobicContact CG2-CB 4.04Å; I83-H129 VanDerWaalsContact CG2-CD2 3.41Å; I83-H129 WeakPolarHBondContact CG2-CD2 3.39Å; I83-H129 VanDerWaalsContact CG2-CG 3.45Å; N84-H129 PolarHBondContact OD1-CD2 3.25Å; N84-H129 PolarHBondContact OD1-NE2 3.39Å; H126-H129 PolarHBondContact N-ND1 3.1Å; H126-H129 WeakPolarHBondContact O-CA 3.41Å; H126-H129 WeakPolarHBondContact O-CB 3.29Å; H126-H129 PolarHBondContact O-N 3.26Å; I127-H129 PolarHBondContact O-N 3.47Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.44Å; H129-G132 PolarHBondContact O-N 2.94Å; H129-L133 VanDerWaalsContact O-CG 3.32Å; H129-L133 WeakPolarHBondContact O-CG 3.14Å; H129-L133 PolarHBondContact O-N 3.13Å; H129-Y275 AromaticContact CE1-CD1 3.6Å; H129-Y275 AromaticContact CE1-CE1 3.52Å; H129-Y275 AromaticContact ND1-CD1 3.7Å; H129-Y275 AromaticContact ND1-CE1 3.85Å; H129-M308 HydrophobicContact CB-CE 3.95Å
130M98.7Very high97Very high0 Ų031.9 Ų31.90%017%0.17CC..Hα-helixtrans-62.1-42.3174.2-170.9-128.566.800110.9L114 I127 L133 V134 I147 V168 F171 F273L114-M130 HydrophobicContact CD1-CG 4.23Å; I127-M130 WeakPolarHBondContact O-CB 3.15Å; I127-M130 PolarHBondContact O-N 2.52Å; M130-L133 PolarHBondContact O-N 3.19Å; M130-V134 HydrophobicContact CE-CG2 4.11Å; M130-V134 WeakPolarHBondContact O-CG2 3.45Å; M130-V134 PolarHBondContact O-N 2.82Å; M130-I147 HydrophobicContact CE-CD1 4.12Å; M130-I147 HydrophobicContact CG-CG2 4.46Å; M130-I147 HydrophobicContact SD-CB 4.48Å; M130-I147 HydrophobicContact SD-CD1 3.87Å; M130-I147 HydrophobicContact SD-CG1 4.07Å; M130-I147 HydrophobicContact SD-CG2 3.58Å; M130-I147 VanDerWaalsContact SD-CG2 3.58Å; M130-V168 HydrophobicContact SD-CG2 4.35Å; M130-F171 HydrophobicContact CE-CD1 4.18Å; M130-F171 HydrophobicContact CE-CE1 4.14Å; M130-F273 HydrophobicContact CB-CE2 4.07Å; M130-F273 HydrophobicContact CB-CZ 4.06Å; M130-F273 HydrophobicContact CG-CE1 4.17Å; M130-F273 HydrophobicContact CG-CZ 4.03Å
131Y98.7Very high97.2Very high38 Ų3835.8 Ų35.815%0.14918%0.182CC..Hα-helixtrans-58.7-50.4174.8-65.8-26.7000112.3I127 N128 H129 L133 V134 E135 D167 V168 F171I127-Y131 HydrophobicContact CD1-CE1 4.42Å; I127-Y131 HydrophobicContact CD1-CE2 4.32Å; I127-Y131 WeakPolarHBondContact CD1-OH 3.21Å; I127-Y131 HydrophobicContact CG1-CE1 4.06Å; I127-Y131 HydrophobicContact CG1-CE2 3.91Å; I127-Y131 PolarHBondContact O-N 3.23Å; N128-Y131 PolarHBondContact O-N 3.11Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.44Å; Y131-L133 VanDerWaalsContact C-N 3.29Å; Y131-L133 PolarHBondContact O-N 3.28Å; Y131-V134 PolarHBondContact O-N 3.17Å; Y131-E135 WeakPolarHBondContact O-CG 3.47Å; Y131-E135 PolarHBondContact O-N 3.34Å; Y131-D167 VanDerWaalsContact OH-C 3.23Å; Y131-D167 WeakPolarHBondContact OH-CB 3.48Å; Y131-D167 PolarHBondContact OH-O 3.12Å; Y131-V168 HydrophobicContact CE1-CG2 4.43Å; Y131-F171 HydrophobicContact CD1-CB 3.94Å; Y131-F171 AromaticContact CD1-CD1 3.27Å; Y131-F171 HydrophobicContact CD1-CD1 3.27Å; Y131-F171 AromaticContact CD1-CD2 3.42Å; Y131-F171 HydrophobicContact CD1-CD2 3.42Å; Y131-F171 VanDerWaalsContact CD1-CD2 3.42Å; Y131-F171 AromaticContact CD1-CE1 3.47Å; Y131-F171 HydrophobicContact CD1-CE1 3.47Å; Y131-F171 VanDerWaalsContact CD1-CE1 3.47Å; Y131-F171 AromaticContact CD1-CE2 3.61Å; Y131-F171 HydrophobicContact CD1-CE2 3.61Å; Y131-F171 AromaticContact CD1-CG 3.24Å; Y131-F171 HydrophobicContact CD1-CG 3.24Å; Y131-F171 AromaticContact CD1-CZ 3.63Å; Y131-F171 HydrophobicContact CD1-CZ 3.63Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.5Å; Y131-F171 HydrophobicContact CE1-CB 3.37Å; Y131-F171 AromaticContact CE1-CD1 3.5Å; Y131-F171 HydrophobicContact CE1-CD1 3.5Å; Y131-F171 VanDerWaalsContact CE1-CD1 3.5Å; Y131-F171 AromaticContact CE1-CD2 3.76Å; Y131-F171 HydrophobicContact CE1-CD2 3.76Å; Y131-F171 HydrophobicContact CE1-CE1 4.17Å; Y131-F171 HydrophobicContact CE1-CE2 4.4Å; Y131-F171 AromaticContact CE1-CG 3.24Å; Y131-F171 HydrophobicContact CE1-CG 3.24Å; Y131-F171 HydrophobicContact CG-CD1 4.31Å; Y131-F171 AromaticContact CG-CD2 3.74Å; Y131-F171 HydrophobicContact CG-CD2 3.74Å; Y131-F171 HydrophobicContact CG-CE1 4.26Å; Y131-F171 AromaticContact CG-CE2 3.69Å; Y131-F171 HydrophobicContact CG-CE2 3.69Å; Y131-F171 HydrophobicContact CG-CG 4.05Å; Y131-F171 AromaticContact CG-CZ 3.95Å; Y131-F171 HydrophobicContact CG-CZ 3.95Å
132G98.5Very high97.5Very high2 Ų234.6 Ų34.62%0.02117%0.17CC..Hα-helixtrans-60.6-37.4178.200000113.1N128 H129 A136N128-G132 PolarHBondContact O-N 3.46Å; H129-G132 PolarHBondContact O-N 2.94Å; G132-A136 VanDerWaalsContact O-CB 3.28Å; G132-A136 WeakPolarHBondContact O-CB 3.42Å; G132-A136 PolarHBondContact O-N 3.12Å
133L98.8Very high97.9Very high0 Ų037.3 Ų37.30%018%0.183CC..Hα-helixtrans-65-46.2174.2-73.8169.5000111.9I92 L98 L114 H129 M130 Y131 E135 A136 I137 F273 M308 L320I92-L133 HydrophobicContact CD1-CD2 3.82Å; I92-L133 HydrophobicContact CD1-CG 4.07Å; I92-L133 HydrophobicContact CG1-CD2 4.45Å; L98-L133 HydrophobicContact CD1-CD2 4.03Å; L98-L133 HydrophobicContact CD2-CD2 4.23Å; L114-L133 HydrophobicContact CD1-CB 3.84Å; L114-L133 HydrophobicContact CD2-CB 4.28Å; L114-L133 HydrophobicContact CD2-CD1 4.25Å; H129-L133 VanDerWaalsContact O-CG 3.32Å; H129-L133 WeakPolarHBondContact O-CG 3.14Å; H129-L133 PolarHBondContact O-N 3.13Å; M130-L133 PolarHBondContact O-N 3.19Å; Y131-L133 VanDerWaalsContact C-N 3.29Å; Y131-L133 PolarHBondContact O-N 3.28Å; L133-E135 PolarHBondContact O-N 2.8Å; L133-A136 PolarHBondContact O-N 3.2Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.34Å; L133-I137 WeakPolarHBondContact O-CG1 3.49Å; L133-I137 PolarHBondContact O-N 3.27Å; L133-F273 HydrophobicContact CD1-CB 3.47Å; L133-F273 VanDerWaalsContact CD1-CB 3.47Å; L133-F273 HydrophobicContact CD1-CG 4.13Å; L133-M308 HydrophobicContact CD1-CE 4Å; L133-L320 HydrophobicContact CD2-CD2 3.76Å
134V98.8Very high98.1Very high0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-61.7-43.9178.11740000111.2L114 M130 Y131 I137 K138 I147 F171 Y177L114-V134 HydrophobicContact CD1-CG2 3.62Å; M130-V134 HydrophobicContact CE-CG2 4.11Å; M130-V134 WeakPolarHBondContact O-CG2 3.45Å; M130-V134 PolarHBondContact O-N 2.82Å; Y131-V134 PolarHBondContact O-N 3.17Å; V134-I137 PolarHBondContact O-N 2.9Å; V134-K138 WeakPolarHBondContact O-CB 3.31Å; V134-K138 PolarHBondContact O-N 2.87Å; V134-I147 HydrophobicContact CG2-CD1 4.05Å; V134-I147 HydrophobicContact CG2-CG1 4.28Å; V134-F171 HydrophobicContact CB-CE1 3.77Å; V134-F171 HydrophobicContact CB-CZ 4.1Å; V134-F171 HydrophobicContact CG1-CE1 3.75Å; V134-F171 HydrophobicContact CG1-CZ 4.23Å; V134-F171 HydrophobicContact CG2-CE1 4.22Å; V134-Y177 HydrophobicContact CG1-CD1 3.83Å; V134-Y177 HydrophobicContact CG1-CE1 4.3Å
135E98.6Very high98.3Very high90 Ų9038.8 Ų38.842%0.42119%0.186SC..Hα-helixtrans-63.1-43177.4-72.5179172.300112.2Y131 L133 K138 H139 F171 Q175Y131-E135 WeakPolarHBondContact O-CG 3.47Å; Y131-E135 PolarHBondContact O-N 3.34Å; L133-E135 PolarHBondContact O-N 2.8Å; E135-K138 WeakPolarHBondContact O-CB 3.39Å; E135-K138 PolarHBondContact O-N 2.96Å; E135-H139 WeakPolarHBondContact O-CB 3.43Å; E135-H139 PolarHBondContact O-N 2.88Å; E135-F171 HydrophobicContact CG-CE2 4.29Å; E135-F171 HydrophobicContact CG-CZ 4Å; E135-Q175 PolarHBondContact OE1-NE2 2.91Å
136A98.7Very high98.3Very high4 Ų438.8 Ų38.83%0.03319%0.186CC..Hα-helixtrans-67-41.2176.900000112.6I92 K93 L98 G132 L133 K138 H139 H140I92-A136 HydrophobicContact CG2-CB 4.19Å; K93-A136 HydrophobicContact CB-CB 4Å; L98-A136 HydrophobicContact CD2-CB 3.54Å; G132-A136 VanDerWaalsContact O-CB 3.28Å; G132-A136 WeakPolarHBondContact O-CB 3.42Å; G132-A136 PolarHBondContact O-N 3.12Å; L133-A136 PolarHBondContact O-N 3.2Å; A136-K138 VanDerWaalsContact C-N 3.35Å; A136-H139 WeakPolarHBondContact O-CB 3.29Å; A136-H139 PolarHBondContact O-N 2.96Å; A136-H140 PolarHBondContact O-CD2 3.14Å; A136-H140 PolarHBondContact O-N 3.37Å
137I98.8Very high98.4Very high0 Ų037.3 Ų37.30%018%0.179CC..Hα-helixtrans-63.2-43.2175.9-71.7166.8000110.6L98 I112 L114 L133 V134 H139 H140 K141 V142 C145 Y177L98-I137 HydrophobicContact CD1-CG1 4.07Å; I112-I137 HydrophobicContact CD1-CD1 4.03Å; I112-I137 HydrophobicContact CD1-CG1 4.31Å; I112-I137 HydrophobicContact CG1-CD1 4.48Å; I112-I137 HydrophobicContact CG2-CD1 4.08Å; I112-I137 HydrophobicContact CG2-CG2 3.56Å; L114-I137 HydrophobicContact CD1-CD1 4.19Å; L114-I137 HydrophobicContact CD2-CD1 3.75Å; L114-I137 HydrophobicContact CG-CD1 4.16Å; L133-I137 WeakPolarHBondContact O-CB 3.43Å; L133-I137 WeakPolarHBondContact O-CD1 3.34Å; L133-I137 WeakPolarHBondContact O-CG1 3.49Å; L133-I137 PolarHBondContact O-N 3.27Å; V134-I137 PolarHBondContact O-N 2.9Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 3.27Å; I137-H140 CarbonylContact O-C 3.54Å; I137-H140 PolarHBondContact O-N 3.34Å; I137-K141 PolarHBondContact O-N 3.12Å; I137-V142 HydrophobicContact CG2-CB 3.74Å; I137-V142 HydrophobicContact CG2-CG1 4.46Å; I137-V142 HydrophobicContact CG2-CG2 3.86Å; I137-V142 PolarHBondContact O-N 3.08Å; I137-C145 HydrophobicContact CG2-CB 4.14Å; I137-Y177 HydrophobicContact CG2-CE1 4.11Å; I137-Y177 WeakPolarHBondContact CG2-OH 3.36Å
138K98.6Very high98.4Very high79 Ų7936.9 Ų36.934%0.34318%0.177SC..Hα-helixtrans-59.5-44.9173.6-174-174.6173.9-175.20111.3V134 E135 A136 H140 K141 Q175 Y177V134-K138 WeakPolarHBondContact O-CB 3.31Å; V134-K138 PolarHBondContact O-N 2.87Å; E135-K138 WeakPolarHBondContact O-CB 3.39Å; E135-K138 PolarHBondContact O-N 2.96Å; A136-K138 VanDerWaalsContact C-N 3.35Å; K138-H140 VanDerWaalsContact C-N 3.26Å; K138-H140 PolarHBondContact O-N 3.22Å; K138-K141 WeakPolarHBondContact O-CA 3.45Å; K138-K141 PolarHBondContact O-N 3.37Å; K138-Q175 WeakPolarHBondContact CE-O 3.45Å; K138-Q175 PolarHBondContact NZ-O 3.32Å; K138-Y177 HydrophobicContact CB-CD1 3.52Å; K138-Y177 HydrophobicContact CB-CD2 4.46Å; K138-Y177 HydrophobicContact CB-CE1 3.72Å; K138-Y177 HydrophobicContact CB-CG 3.93Å; K138-Y177 HydrophobicContact CD-CD1 4.2Å; K138-Y177 HydrophobicContact CD-CG 3.95Å; K138-Y177 HydrophobicContact CG-CD1 3.88Å; K138-Y177 HydrophobicContact CG-CD2 4.1Å; K138-Y177 HydrophobicContact CG-CE1 4.38Å; K138-Y177 HydrophobicContact CG-CG 3.72Å
139H98.4Very high98.4Very high113 Ų11333.1 Ų33.152%0.52316%0.157SC..Hα-helixtrans-56.8-40.7176175.981.5000111.8E135 A136 I137 K141E135-H139 WeakPolarHBondContact O-CB 3.43Å; E135-H139 PolarHBondContact O-N 2.88Å; A136-H139 WeakPolarHBondContact O-CB 3.29Å; A136-H139 PolarHBondContact O-N 2.96Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 3.27Å; H139-K141 PolarHBondContact O-N 3.33Å
140H98.6Very high98.5Very high31 Ų3133.1 Ų33.114%0.14416%0.157CC..THydrogen-bonded Turntrans-76.71.4175.3-75.6-60000115.1K93 C102 K106 A136 I137 K138 V142K93-H140 PolarHBondContact O-CE1 3.04Å; K93-H140 PolarHBondContact O-NE2 2.82Å; C102-H140 HydrophobicContact CB-CB 3.72Å; K106-H140 WeakPolarHBondContact CD-O 3.45Å; K106-H140 WeakPolarHBondContact CE-O 3.46Å; K106-H140 PolarHBondContact NZ-O 2.99Å; A136-H140 PolarHBondContact O-CD2 3.14Å; A136-H140 PolarHBondContact O-N 3.37Å; I137-H140 CarbonylContact O-C 3.54Å; I137-H140 PolarHBondContact O-N 3.34Å; K138-H140 VanDerWaalsContact C-N 3.26Å; K138-H140 PolarHBondContact O-N 3.22Å; H140-V142 PolarHBondContact O-N 3.35Å
141K98.4Very high98.4Very high174 Ų17433.2 Ų33.276%0.75716%0.157SC*.THydrogen-bonded Turntrans60.736.9174.5-53178.4-178.5177.50113.9I137 K138 H139I137-K141 PolarHBondContact O-N 3.12Å; K138-K141 WeakPolarHBondContact O-CA 3.45Å; K138-K141 PolarHBondContact O-N 3.37Å; H139-K141 PolarHBondContact O-N 3.33Å
142V98.4Very high98.4Very high2 Ų231.6 Ų31.61%0.01215%0.151CC..  trans-67.5129.5169.4-176.80000108.6C102 A105 K106 G110 I112 I137 H140 K144 Y177C102-V142 HydrophobicContact CB-CG2 3.67Å; A105-V142 HydrophobicContact CB-CG1 3.76Å; A105-V142 HydrophobicContact CB-CG2 4.45Å; K106-V142 HydrophobicContact CG-CG2 4.28Å; G110-V142 WeakPolarHBondContact O-CG1 3.46Å; I112-V142 HydrophobicContact CB-CG1 4.16Å; I112-V142 HydrophobicContact CG2-CB 4.36Å; I112-V142 HydrophobicContact CG2-CG1 3.75Å; I137-V142 HydrophobicContact CG2-CB 3.74Å; I137-V142 HydrophobicContact CG2-CG1 4.46Å; I137-V142 HydrophobicContact CG2-CG2 3.86Å; I137-V142 PolarHBondContact O-N 3.08Å; H140-V142 PolarHBondContact O-N 3.35Å; V142-K144 PolarHBondContact O-N 2.97Å; V142-Y177 VanDerWaalsContact O-CE2 3.26Å; V142-Y177 WeakPolarHBondContact O-CE2 3.47Å; V142-Y177 PolarHBondContact O-OH 2.86Å
143P97.3Very high98.3Very high82 Ų8231.8 Ų31.853%0.53215%0.153SC..SBendtrans-58.7-42.3-174.5-29.335.1000115.3G110G110-P143 WeakPolarHBondContact O-CD 3.47Å
144K97Very high98Very high79 Ų7938.1 Ų38.134%0.34318%0.177SC..EExtended strand (participates in β ladder)trans-134.6125.6-174.5-63.8-69.3-174.9141.70111.1G110 R111 I112 V142 F146 E244G110-K144 PolarHBondContact O-N 3.36Å; R111-K144 HydrophobicContact CG-CB 4.34Å; I112-K144 PolarHBondContact N-O 3.28Å; V142-K144 PolarHBondContact O-N 2.97Å; K144-F146 HydrophobicContact CB-CE2 3.78Å; K144-F146 HydrophobicContact CB-CZ 3.83Å; K144-F146 HydrophobicContact CD-CZ 4.47Å; K144-F146 HydrophobicContact CG-CZ 4.3Å; K144-E244 VanDerWaalsContact CE-OE1 3.23Å; K144-E244 WeakPolarHBondContact CE-OE1 3.32Å; K144-E244 IonicContact NZ-OE1 3.61Å; K144-E244 PolarHBondContact NZ-OE1 3.48Å; K144-E244 IonicContact NZ-OE2 3.63Å; K144-E244 PolarHBondContact NZ-OE2 3.07Å
145C98.3Very high97.7Very high2 Ų240.8 Ų40.81%0.01419%0.191CC..EExtended strand (participates in β ladder)trans-117.6121.7172.1-179.60000109.4I112 I137 Y177 G178 V179I112-C145 HydrophobicContact CG2-CB 4Å; I112-C145 CarbonylContact O-C 3.54Å; I112-C145 WeakPolarHBondContact O-CA 3.38Å; I137-C145 HydrophobicContact CG2-CB 4.14Å; C145-Y177 HydrophobicContact CB-CD1 4.39Å; C145-Y177 HydrophobicContact CB-CE1 3.47Å; C145-Y177 VanDerWaalsContact CB-CE1 3.47Å; C145-Y177 WeakPolarHBondContact CB-OH 3.29Å; C145-G178 CarbonylContact O-C 3.58Å; C145-G178 WeakPolarHBondContact O-CA 3.49Å; C145-V179 PolarHBondContact O-N 3.03Å
146F98.3Very high97.5Very high0 Ų037.7 Ų37.70%018%0.178CC..EExtended strand (participates in β ladder)trans-110.8132.1179.4-58-72.4000110.3R111 I112 H113 L114 K144 V179 A181 E244 G245R111-F146 HydrophobicContact CB-CE2 4.1Å; R111-F146 HydrophobicContact CG-CE2 4.02Å; I112-F146 PolarHBondContact O-N 3.45Å; H113-F146 CarbonylContact C-O 3.57Å; H113-F146 WeakPolarHBondContact CA-O 3.22Å; H113-F146 AromaticContact CE1-CD2 3.33Å; H113-F146 WeakPolarHBondContact CE1-CD2 2.92Å; H113-F146 AromaticContact CE1-CG 3.92Å; H113-F146 AromaticContact ND1-CD2 3.73Å; H113-F146 AromaticContact ND1-CG 3.99Å; H113-F146 AromaticContact NE2-CD2 3.74Å; L114-F146 PolarHBondContact N-O 3.49Å; K144-F146 HydrophobicContact CB-CE2 3.78Å; K144-F146 HydrophobicContact CB-CZ 3.83Å; K144-F146 HydrophobicContact CD-CZ 4.47Å; K144-F146 HydrophobicContact CG-CZ 4.3Å; F146-V179 CarbonylContact C-O 3.54Å; F146-V179 WeakPolarHBondContact CA-O 3.4Å; F146-V179 HydrophobicContact CD1-CB 3.84Å; F146-V179 HydrophobicContact CD1-CG1 4.13Å; F146-V179 HydrophobicContact CD1-CG2 4.48Å; F146-V179 HydrophobicContact CE1-CB 4.22Å; F146-V179 HydrophobicContact CE1-CG1 4.42Å; F146-V179 HydrophobicContact CE1-CG2 4.43Å; F146-A181 HydrophobicContact CB-CB 4.15Å; F146-A181 HydrophobicContact CD1-CB 4.43Å; F146-E244 HydrophobicContact CE1-CB 4.36Å; F146-E244 HydrophobicContact CE1-CG 4.2Å; F146-E244 HydrophobicContact CZ-CB 4.48Å; F146-E244 HydrophobicContact CZ-CG 3.89Å; F146-G245 VanDerWaalsContact CE1-CA 3.47Å
147I98.7Very high97.3Very high0 Ų040.6 Ų40.60%020%0.198CC..EExtended strand (participates in β ladder)trans-104.2121.4179.8-60.8158.2000107.9M130 V134 V168 V172 V179 L180 A181M130-I147 HydrophobicContact CE-CD1 4.12Å; M130-I147 HydrophobicContact CG-CG2 4.46Å; M130-I147 HydrophobicContact SD-CB 4.48Å; M130-I147 HydrophobicContact SD-CD1 3.87Å; M130-I147 HydrophobicContact SD-CG1 4.07Å; M130-I147 HydrophobicContact SD-CG2 3.58Å; M130-I147 VanDerWaalsContact SD-CG2 3.58Å; V134-I147 HydrophobicContact CG2-CD1 4.05Å; V134-I147 HydrophobicContact CG2-CG1 4.28Å; I147-V168 HydrophobicContact CD1-CG1 4.19Å; I147-V172 HydrophobicContact CD1-CG1 3.67Å; I147-V179 PolarHBondContact N-O 2.65Å; I147-L180 HydrophobicContact CB-CD1 4.39Å; I147-L180 HydrophobicContact CG2-CD1 4.1Å; I147-A181 PolarHBondContact O-N 3.28Å
148H98.7Very high97.1Very high0 Ų043.5 Ų43.50%022%0.218CC..EExtended strand (participates in β ladder)trans-104.9101.6170.2-61.7-72.4000108.1H113 L114 L115 G116 F150 T182 L206 G245H113-H148 AromaticContact CG-NE2 3.86Å; H113-H148 AromaticContact ND1-CD2 3.88Å; H113-H148 AromaticContact ND1-NE2 3.09Å; H113-H148 PolarHBondContact ND1-NE2 2.82Å; L114-H148 PolarHBondContact O-N 2.97Å; L115-H148 HydrophobicContact CB-CB 4.46Å; L115-H148 HydrophobicContact CG-CB 3.97Å; G116-H148 PolarHBondContact N-O 2.93Å; H148-F150 HydrophobicContact CB-CE1 4.38Å; H148-T182 WeakPolarHBondContact ND1-CB 3.46Å; H148-T182 PolarHBondContact ND1-OG1 3.48Å; H148-T182 VanDerWaalsContact ND1-OG1 3.11Å; H148-L206 HydrophobicContact CB-CD2 3.65Å; H148-L206 VanDerWaalsContact CG-CD2 3.49Å; H148-L206 VanDerWaalsContact ND1-CD2 3.32Å; H148-L206 WeakPolarHBondContact ND1-CD2 3.2Å; H148-G245 PolarHBondContact CE1-O 2.91Å; H148-G245 PolarHBondContact NE2-O 2.9Å
149F98.7Very high97Very high0 Ų043 Ų430%022%0.221CC..EExtended strand (participates in β ladder)trans-81.7114.4-172.5-177.7-67.8000109.5V118 F164 I165 V168 L180 T182 I183 V184V118-F149 HydrophobicContact CB-CD1 4.27Å; V118-F149 HydrophobicContact CB-CD2 3.49Å; V118-F149 VanDerWaalsContact CB-CD2 3.49Å; V118-F149 HydrophobicContact CB-CE1 4.17Å; V118-F149 HydrophobicContact CB-CE2 3.39Å; V118-F149 HydrophobicContact CB-CG 3.93Å; V118-F149 HydrophobicContact CB-CZ 3.72Å; V118-F149 HydrophobicContact CG1-CD2 3.63Å; V118-F149 HydrophobicContact CG1-CE2 3.27Å; V118-F149 HydrophobicContact CG1-CZ 3.94Å; V118-F149 HydrophobicContact CG2-CB 4.35Å; V118-F149 HydrophobicContact CG2-CD2 3.73Å; V118-F149 HydrophobicContact CG2-CE2 4.17Å; V118-F149 HydrophobicContact CG2-CG 3.98Å; V118-F149 WeakPolarHBondContact O-CZ 3.29Å; F149-F164 HydrophobicContact CE2-CB 4.03Å; F149-F164 HydrophobicContact CZ-CB 3.78Å; F149-I165 HydrophobicContact CD2-CG1 4.49Å; F149-I165 HydrophobicContact CE1-CG1 4.27Å; F149-I165 HydrophobicContact CE2-CG1 4Å; F149-I165 HydrophobicContact CZ-CG1 3.91Å; F149-V168 HydrophobicContact CD2-CG2 4.2Å; F149-V168 HydrophobicContact CE2-CG2 4.12Å; F149-L180 HydrophobicContact CB-CD1 3.7Å; F149-L180 HydrophobicContact CD2-CD1 4.36Å; F149-L180 HydrophobicContact CG-CD1 4.45Å; F149-T182 PolarHBondContact N-O 2.93Å; F149-I183 HydrophobicContact CB-CG1 3.98Å; F149-I183 HydrophobicContact CD1-CG1 4.3Å; F149-I183 HydrophobicContact CD1-CG2 4.08Å; F149-I183 HydrophobicContact CG-CG1 4.22Å; F149-I183 WeakPolarHBondContact O-CA 3.27Å; F149-V184 PolarHBondContact O-N 3.13Å
150F98.7Very high96.9Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-90119.5167.2-50.2-21.7000109.2L115 G116 L117 V118 H148 V184 A189 M190 L206 M280 L283L115-F150 HydrophobicContact CB-CE2 4.31Å; L115-F150 HydrophobicContact CB-CZ 3.84Å; L115-F150 HydrophobicContact CD2-CZ 4.2Å; L115-F150 HydrophobicContact CG-CZ 4.45Å; G116-F150 WeakPolarHBondContact O-CB 3.46Å; G116-F150 PolarHBondContact O-N 3.38Å; L117-F150 CarbonylContact C-O 3.48Å; L117-F150 WeakPolarHBondContact CA-O 3.25Å; L117-F150 HydrophobicContact CD1-CB 4.31Å; L117-F150 WeakPolarHBondContact CD1-O 3.41Å; V118-F150 PolarHBondContact N-O 2.8Å; H148-F150 HydrophobicContact CB-CE1 4.38Å; F150-V184 CarbonylContact C-O 3.51Å; F150-V184 WeakPolarHBondContact CA-O 3.37Å; F150-V184 HydrophobicContact CD1-CG1 3.43Å; F150-V184 VanDerWaalsContact CD1-CG1 3.43Å; F150-V184 HydrophobicContact CE1-CG1 3.75Å; F150-V184 HydrophobicContact CG-CG1 4.47Å; F150-A189 HydrophobicContact CB-CB 4.43Å; F150-A189 HydrophobicContact CD1-CB 3.69Å; F150-A189 HydrophobicContact CD2-CB 3.76Å; F150-A189 HydrophobicContact CE1-CB 3.76Å; F150-A189 HydrophobicContact CE2-CB 3.81Å; F150-A189 HydrophobicContact CG-CB 3.7Å; F150-A189 HydrophobicContact CZ-CB 3.82Å; F150-M190 HydrophobicContact CB-SD 4.2Å; F150-M190 HydrophobicContact CD2-CG 3.8Å; F150-M190 HydrophobicContact CD2-SD 3.95Å; F150-M190 HydrophobicContact CE2-CG 4.38Å; F150-L206 HydrophobicContact CE1-CD1 4.38Å; F150-L206 HydrophobicContact CE1-CD2 4.38Å; F150-L206 HydrophobicContact CZ-CD1 4.47Å; F150-M280 HydrophobicContact CD2-SD 4.44Å; F150-M280 HydrophobicContact CE2-CE 3.97Å; F150-M280 HydrophobicContact CE2-SD 4.07Å; F150-L283 HydrophobicContact CE2-CD2 3.67Å; F150-L283 HydrophobicContact CZ-CD2 3.51Å
151S98.5Very high96.8Very high1 Ų137.6 Ų37.61%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-81.7140-179.147.30000111.6V184 G185 R186 D233S151-V184 PolarHBondContact N-O 3.16Å; S151-V184 PolarHBondContact OG-O 3.3Å; S151-G185 VanDerWaalsContact OG-CA 3.22Å; S151-G185 WeakPolarHBondContact OG-CA 3.36Å; S151-G185 PolarHBondContact OG-N 3.37Å; S151-R186 VanDerWaalsContact O-CB 3.31Å; S151-R186 WeakPolarHBondContact O-CB 3.41Å; S151-R186 WeakPolarHBondContact O-CG 3.4Å; S151-R186 PolarHBondContact O-N 2.93Å; S151-D233 WeakPolarHBondContact CB-O 3.19Å; S151-D233 PolarHBondContact OG-O 2.91Å
152D97.5Very high96.8Very high4 Ų430.4 Ų30.42%0.02117%0.171CC..  trans-87.2-83.8-168.6-177.40.2000113.1L117 S119 R154 D155 T156 R186 E234L117-D152 HydrophobicContact CD1-CB 3.73Å; L117-D152 HydrophobicContact CD2-CB 4.15Å; L117-D152 HydrophobicContact CG-CB 4.04Å; S119-D152 PolarHBondContact OG-OD2 2.9Å; D152-R154 PolarHBondContact O-N 3.17Å; D152-R154 PolarHBondContact OD1-N 3.22Å; D152-R154 VanDerWaalsContact OD1-N 3.09Å; D152-D155 PolarHBondContact OD1-N 3.24Å; D152-T156 WeakPolarHBondContact CB-OG1 3.35Å; D152-T156 VanDerWaalsContact CG-OG1 3.26Å; D152-T156 PolarHBondContact OD2-OG1 2.53Å; D152-R186 WeakPolarHBondContact O-CD 3.33Å; D152-R186 IonicContact OD1-CZ 3.24Å; D152-R186 IonicContact OD1-NH1 3.27Å; D152-R186 PolarHBondContact OD1-NH1 3.1Å; D152-E234 VanDerWaalsContact O-CA 3.31Å; D152-E234 WeakPolarHBondContact O-CA 3.39Å; D152-E234 WeakPolarHBondContact O-CB 3.25Å
153G95.6Very high96.7Very high6 Ų632 Ų326%0.06219%0.187CC..SBendtrans67.21.4177.500000116.5T156 P158G153-T156 CarbonylContact C-O 3.55Å; G153-T156 VanDerWaalsContact C-O 3.27Å; G153-P158 WeakPolarHBondContact O-CA 3.14Å
154R94.1Very high96.8Very high134 Ų13429 Ų2951%0.50617%0.166SC..SBendtrans-118.4-48.8-178.7174.7177.6178145.67.4112.2D152 T156D152-R154 PolarHBondContact O-N 3.17Å; D152-R154 PolarHBondContact OD1-N 3.22Å; D152-R154 VanDerWaalsContact OD1-N 3.09Å; R154-T156 VanDerWaalsContact C-N 3.27Å
155D92.1Very high96.9Very high56 Ų5625.3 Ų25.330%0.29915%0.15SC..SBendtrans-87.6-7.2174.9-54.8-39.5000111V123 H124 D152 R186V123-D155 HydrophobicContact CB-CB 4.17Å; V123-D155 WeakPolarHBondContact CB-OD2 3.01Å; V123-D155 HydrophobicContact CG2-CB 3.73Å; H124-D155 IonicContact CD2-OD2 2.67Å; H124-D155 PolarHBondContact CD2-OD2 2.68Å; D152-D155 PolarHBondContact OD1-N 3.24Å; D155-R186 VanDerWaalsContact CG-NH1 3.3Å; D155-R186 IonicContact OD1-NH1 3.77Å; D155-R186 IonicContact OD2-CZ 2.66Å; D155-R186 IonicContact OD2-NH1 3.75Å; D155-R186 PolarHBondContact OD2-NH1 3.28Å; D155-R186 IonicContact OD2-NH2 3.02Å; D155-R186 PolarHBondContact OD2-NH2 2.69Å
156T93.3Very high96.8Very high24 Ų2428.5 Ų28.515%0.14717%0.167CC..SBendtrans-131.5174.5174.247.80000109.8D120 D152 G153 R154 F164D120-T156 WeakPolarHBondContact OD1-CG2 3.48Å; D152-T156 WeakPolarHBondContact CB-OG1 3.35Å; D152-T156 VanDerWaalsContact CG-OG1 3.26Å; D152-T156 PolarHBondContact OD2-OG1 2.53Å; G153-T156 CarbonylContact C-O 3.55Å; G153-T156 VanDerWaalsContact C-O 3.27Å; R154-T156 VanDerWaalsContact C-N 3.27Å; T156-F164 HydrophobicContact CG2-CE2 4.3Å; T156-F164 HydrophobicContact CG2-CZ 4.28Å
157S94.5Very high96.9Very high65 Ų6532 Ų3246%0.45519%0.185SC..  trans-54.5137.5177.51660000111.2T159 S160S157-T159 PolarHBondContact O-N 2.83Å; S157-S160 PolarHBondContact O-N 3.12Å; S157-S160 VanDerWaalsContact O-N 3.12Å; S157-S160 PolarHBondContact O-OG 3.11Å
158P95.8Very high96.8Very high62 Ų6232 Ų3240%0.40319%0.185SC..THydrogen-bonded Turntrans-56.7-12.5-179.9-27.234.6000116.2G153 T232 D233G153-P158 WeakPolarHBondContact O-CA 3.14Å; P158-T232 HydrophobicContact CB-CG2 3.94Å; P158-T232 WeakPolarHBondContact O-CB 3.37Å; P158-D233 VanDerWaalsContact C-OD2 3.29Å; P158-D233 PolarHBondContact O-N 3.13Å; P158-D233 VanDerWaalsContact O-OD2 3.13Å
159T96.4Very high96.8Very high68 Ų6833.1 Ų33.142%0.41719%0.191SC..THydrogen-bonded Turntrans-129.723.7-17753.50000112.9S157 Y227 T232 D233S157-T159 PolarHBondContact O-N 2.83Å; T159-Y227 HydrophobicContact CG2-CD1 4.02Å; T159-Y227 HydrophobicContact CG2-CD2 3.87Å; T159-Y227 HydrophobicContact CG2-CE1 4.26Å; T159-Y227 HydrophobicContact CG2-CE2 4.11Å; T159-Y227 HydrophobicContact CG2-CG 3.82Å; T159-T232 HydrophobicContact CG2-CG2 4.34Å; T159-D233 WeakPolarHBondContact CA-OD2 3.43Å; T159-D233 PolarHBondContact N-OD2 2.82Å
160S95.9Very high96.8Very high29 Ų2937 Ų3720%0.20321%0.212CC..  trans-87.2-14.6-179.955.80000114.1S157 V162 G163 F164 D233S157-S160 PolarHBondContact O-N 3.12Å; S157-S160 VanDerWaalsContact O-N 3.12Å; S157-S160 PolarHBondContact O-OG 3.11Å; S160-V162 PolarHBondContact O-N 2.95Å; S160-V162 VanDerWaalsContact O-N 3.14Å; S160-G163 WeakPolarHBondContact O-CA 3.49Å; S160-G163 PolarHBondContact O-N 3.48Å; S160-F164 PolarHBondContact O-N 2.94Å; S160-D233 PolarHBondContact N-OD2 3.16Å
161G96.5Very high96.8Very high2 Ų238 Ų382%0.02122%0.216CC..Hα-helixtrans-56.8-31.7-176.600000113.7G163 F164 I165 Y227 D233G161-G163 VanDerWaalsContact C-N 3.26Å; G161-G163 PolarHBondContact O-N 2.68Å; G161-F164 PolarHBondContact O-N 3.01Å; G161-I165 WeakPolarHBondContact O-CB 3.15Å; G161-I165 WeakPolarHBondContact O-CD1 3.41Å; G161-I165 WeakPolarHBondContact O-CG1 3.05Å; G161-I165 PolarHBondContact O-N 3.36Å; G161-Y227 PolarHBondContact N-OH 3.48Å; G161-D233 WeakPolarHBondContact CA-OD1 3.39Å; G161-D233 WeakPolarHBondContact CA-OD2 3.36Å; G161-D233 PolarHBondContact N-OD1 2.57Å; G161-D233 PolarHBondContact N-OD2 2.93Å
162V97.6Very high96.8Very high23 Ų2338.8 Ų38.814%0.13922%0.221CC..Hα-helixtrans-55.4-41.3171.4166.60000112.3S160 N166 I220 V223 K224 Y227S160-V162 PolarHBondContact O-N 2.95Å; S160-V162 VanDerWaalsContact O-N 3.14Å; V162-N166 WeakPolarHBondContact O-CB 2.89Å; V162-N166 PolarHBondContact O-N 3.13Å; V162-N166 VanDerWaalsContact O-N 3.14Å; V162-I220 HydrophobicContact CG1-CD1 4.19Å; V162-I220 HydrophobicContact CG1-CG2 3.87Å; V162-V223 HydrophobicContact CG2-CB 4.1Å; V162-V223 HydrophobicContact CG2-CG1 3.7Å; V162-K224 HydrophobicContact CG2-CG 3.92Å; V162-Y227 HydrophobicContact CB-CE2 4.41Å; V162-Y227 HydrophobicContact CG2-CD2 4.45Å; V162-Y227 HydrophobicContact CG2-CE2 3.5Å; V162-Y227 VanDerWaalsContact CG2-CE2 3.5Å; V162-Y227 PolarHBondContact N-OH 2.79Å
163G98Very high96.8Very high35 Ų3546.7 Ų46.736%0.36126%0.255SS..Hα-helixtrans-63.3-53.9176.500000111.1S160 G161 I165 N166 D167S160-G163 WeakPolarHBondContact O-CA 3.49Å; S160-G163 PolarHBondContact O-N 3.48Å; G161-G163 VanDerWaalsContact C-N 3.26Å; G161-G163 PolarHBondContact O-N 2.68Å; G163-I165 VanDerWaalsContact C-N 3.34Å; G163-I165 PolarHBondContact O-N 2.79Å; G163-N166 WeakPolarHBondContact O-CB 3.29Å; G163-N166 PolarHBondContact O-N 3.41Å; G163-N166 VanDerWaalsContact O-N 3.09Å; G163-D167 VanDerWaalsContact O-CG 3.29Å; G163-D167 PolarHBondContact O-N 3.37Å
164F98.4Very high96.9Very high20 Ų2054.9 Ų54.99%0.08829%0.289CS..Hα-helixtrans-62.4-36.7-179.9-59.9-52.5000113.5D120 I127 F149 T156 S160 G161 D167 V168D120-F164 HydrophobicContact CB-CE1 4.1Å; D120-F164 HydrophobicContact CB-CZ 4.41Å; D120-F164 WeakPolarHBondContact OD1-CZ 3.33Å; I127-F164 HydrophobicContact CD1-CB 4.42Å; I127-F164 HydrophobicContact CD1-CD1 4.24Å; F149-F164 HydrophobicContact CE2-CB 4.03Å; F149-F164 HydrophobicContact CZ-CB 3.78Å; T156-F164 HydrophobicContact CG2-CE2 4.3Å; T156-F164 HydrophobicContact CG2-CZ 4.28Å; S160-F164 PolarHBondContact O-N 2.94Å; G161-F164 PolarHBondContact O-N 3.01Å; F164-D167 PolarHBondContact O-N 3.17Å; F164-V168 WeakPolarHBondContact O-CG2 3.44Å; F164-V168 PolarHBondContact O-N 3.05Å
165I98.6Very high97.1Very high0 Ų049.9 Ų49.90%027%0.272CS..Hα-helixtrans-61-47.6173.5-70.3162.1000109.8F149 G161 G163 D167 V168 L169 L180 I183 I219 I220 V223F149-I165 HydrophobicContact CD2-CG1 4.49Å; F149-I165 HydrophobicContact CE1-CG1 4.27Å; F149-I165 HydrophobicContact CE2-CG1 4Å; F149-I165 HydrophobicContact CZ-CG1 3.91Å; G161-I165 WeakPolarHBondContact O-CB 3.15Å; G161-I165 WeakPolarHBondContact O-CD1 3.41Å; G161-I165 WeakPolarHBondContact O-CG1 3.05Å; G161-I165 PolarHBondContact O-N 3.36Å; G163-I165 VanDerWaalsContact C-N 3.34Å; G163-I165 PolarHBondContact O-N 2.79Å; I165-D167 VanDerWaalsContact C-N 3.3Å; I165-D167 PolarHBondContact O-N 3.31Å; I165-V168 PolarHBondContact O-N 3.11Å; I165-L169 HydrophobicContact CG2-CD1 4.06Å; I165-L169 HydrophobicContact CG2-CG 4.38Å; I165-L169 VanDerWaalsContact O-CG 3.29Å; I165-L169 WeakPolarHBondContact O-CG 3.19Å; I165-L169 PolarHBondContact O-N 3.35Å; I165-L180 HydrophobicContact CG2-CD2 4.22Å; I165-I183 HydrophobicContact CD1-CD1 3.71Å; I165-I183 HydrophobicContact CD1-CG1 4.5Å; I165-I183 HydrophobicContact CG1-CD1 3.94Å; I165-I183 HydrophobicContact CG2-CD1 4.35Å; I165-I219 HydrophobicContact CG2-CG1 4.3Å; I165-I219 HydrophobicContact CG2-CG2 3.96Å; I165-I220 HydrophobicContact CB-CD1 4.21Å; I165-I220 HydrophobicContact CG2-CD1 3.82Å; I165-V223 HydrophobicContact CD1-CG1 4.47Å; I165-V223 HydrophobicContact CD1-CG2 3.84Å
166N98Very high97.4Very high70 Ų7054.5 Ų54.537%0.37430%0.296SS..Hα-helixtrans-61-40.6177.4-175.164.4000111.7V162 G163 L169 N170 I220V162-N166 WeakPolarHBondContact O-CB 2.89Å; V162-N166 PolarHBondContact O-N 3.13Å; V162-N166 VanDerWaalsContact O-N 3.14Å; G163-N166 WeakPolarHBondContact O-CB 3.29Å; G163-N166 PolarHBondContact O-N 3.41Å; G163-N166 VanDerWaalsContact O-N 3.09Å; N166-L169 PolarHBondContact O-N 3.01Å; N166-N170 PolarHBondContact ND2-ND2 3.25Å; N166-N170 WeakPolarHBondContact O-CB 3.45Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3.03Å; N166-N170 PolarHBondContact O-ND2 3.01Å; N166-I220 HydrophobicContact CB-CD1 4.17Å
167D98.4Very high97.6Very high72 Ų7255 Ų5539%0.38530%0.296SS..Hα-helixtrans-63.6-44.1176.9-64.6-25.5000111.9I127 Y131 G163 F164 I165 N170 F171I127-D167 HydrophobicContact CD1-CB 4.26Å; Y131-D167 VanDerWaalsContact OH-C 3.23Å; Y131-D167 WeakPolarHBondContact OH-CB 3.48Å; Y131-D167 PolarHBondContact OH-O 3.12Å; G163-D167 VanDerWaalsContact O-CG 3.29Å; G163-D167 PolarHBondContact O-N 3.37Å; F164-D167 PolarHBondContact O-N 3.17Å; I165-D167 VanDerWaalsContact C-N 3.3Å; I165-D167 PolarHBondContact O-N 3.31Å; D167-N170 PolarHBondContact O-N 3.14Å; D167-F171 VanDerWaalsContact O-CB 3.3Å; D167-F171 WeakPolarHBondContact O-CB 3.13Å; D167-F171 PolarHBondContact O-N 2.97Å
168V98.6Very high97.8Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-62-45.4174.41730000111.3V118 I127 M130 Y131 I147 F149 F164 I165 N170 F171 V172 L180V118-V168 HydrophobicContact CG1-CG2 3.86Å; I127-V168 HydrophobicContact CD1-CG2 3.98Å; I127-V168 HydrophobicContact CG1-CG2 4.46Å; M130-V168 HydrophobicContact SD-CG2 4.35Å; Y131-V168 HydrophobicContact CE1-CG2 4.43Å; I147-V168 HydrophobicContact CD1-CG1 4.19Å; F149-V168 HydrophobicContact CD2-CG2 4.2Å; F149-V168 HydrophobicContact CE2-CG2 4.12Å; F164-V168 WeakPolarHBondContact O-CG2 3.44Å; F164-V168 PolarHBondContact O-N 3.05Å; I165-V168 PolarHBondContact O-N 3.11Å; V168-N170 PolarHBondContact O-N 2.93Å; V168-F171 PolarHBondContact O-N 3.41Å; V168-V172 HydrophobicContact CG1-CG1 4.37Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 2.91Å; V168-L180 HydrophobicContact CG1-CD1 4.36Å
169L98.4Very high97.9Very high24 Ų2452 Ų5213%0.12628%0.276CS..Hα-helixtrans-60.6-44178.2-71.4177.6000112I165 N166 V172 K173 L180 V216 I219I165-L169 HydrophobicContact CG2-CD1 4.06Å; I165-L169 HydrophobicContact CG2-CG 4.38Å; I165-L169 VanDerWaalsContact O-CG 3.29Å; I165-L169 WeakPolarHBondContact O-CG 3.19Å; I165-L169 PolarHBondContact O-N 3.35Å; N166-L169 PolarHBondContact O-N 3.01Å; L169-V172 WeakPolarHBondContact O-CG2 3.3Å; L169-K173 VanDerWaalsContact O-CB 3.29Å; L169-K173 WeakPolarHBondContact O-CB 3.26Å; L169-K173 PolarHBondContact O-N 2.76Å; L169-K173 VanDerWaalsContact O-N 3.08Å; L169-L180 HydrophobicContact CD2-CB 4.32Å; L169-L180 HydrophobicContact CD2-CD2 3.89Å; L169-L180 HydrophobicContact CG-CD2 4.27Å; L169-V216 HydrophobicContact CD1-CG1 4.09Å; L169-V216 HydrophobicContact CD2-CG1 3.61Å; L169-V216 HydrophobicContact CD2-CG2 4.35Å; L169-V216 HydrophobicContact CG-CG1 4.43Å; L169-I219 HydrophobicContact CD1-CG2 3.85Å
170N98.4Very high98Very high83 Ų8349 Ų4944%0.44426%0.258SS..Hα-helixtrans-64.6-41.7176-73-35.8000111.7N166 D167 V168 K174N166-N170 PolarHBondContact ND2-ND2 3.25Å; N166-N170 WeakPolarHBondContact O-CB 3.45Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3.03Å; N166-N170 PolarHBondContact O-ND2 3.01Å; D167-N170 PolarHBondContact O-N 3.14Å; V168-N170 PolarHBondContact O-N 2.93Å; N170-K174 VanDerWaalsContact O-CB 3.32Å; N170-K174 WeakPolarHBondContact O-CB 3.5Å; N170-K174 PolarHBondContact O-N 3.2Å
171F98.5Very high98.1Very high20 Ų2047.6 Ų47.69%0.08825%0.248CC..Hα-helixtrans-62.6-51.1177.2170.1-95.2000112.3M130 Y131 V134 E135 D167 V168 K173 K174 Q175M130-F171 HydrophobicContact CE-CD1 4.18Å; M130-F171 HydrophobicContact CE-CE1 4.14Å; Y131-F171 HydrophobicContact CD1-CB 3.94Å; Y131-F171 AromaticContact CD1-CD1 3.27Å; Y131-F171 HydrophobicContact CD1-CD1 3.27Å; Y131-F171 AromaticContact CD1-CD2 3.42Å; Y131-F171 HydrophobicContact CD1-CD2 3.42Å; Y131-F171 VanDerWaalsContact CD1-CD2 3.42Å; Y131-F171 AromaticContact CD1-CE1 3.47Å; Y131-F171 HydrophobicContact CD1-CE1 3.47Å; Y131-F171 VanDerWaalsContact CD1-CE1 3.47Å; Y131-F171 AromaticContact CD1-CE2 3.61Å; Y131-F171 HydrophobicContact CD1-CE2 3.61Å; Y131-F171 AromaticContact CD1-CG 3.24Å; Y131-F171 HydrophobicContact CD1-CG 3.24Å; Y131-F171 AromaticContact CD1-CZ 3.63Å; Y131-F171 HydrophobicContact CD1-CZ 3.63Å; Y131-F171 HydrophobicContact CD2-CD2 4.28Å; Y131-F171 HydrophobicContact CD2-CE2 4.5Å; Y131-F171 HydrophobicContact CE1-CB 3.37Å; Y131-F171 AromaticContact CE1-CD1 3.5Å; Y131-F171 HydrophobicContact CE1-CD1 3.5Å; Y131-F171 VanDerWaalsContact CE1-CD1 3.5Å; Y131-F171 AromaticContact CE1-CD2 3.76Å; Y131-F171 HydrophobicContact CE1-CD2 3.76Å; Y131-F171 HydrophobicContact CE1-CE1 4.17Å; Y131-F171 HydrophobicContact CE1-CE2 4.4Å; Y131-F171 AromaticContact CE1-CG 3.24Å; Y131-F171 HydrophobicContact CE1-CG 3.24Å; Y131-F171 HydrophobicContact CG-CD1 4.31Å; Y131-F171 AromaticContact CG-CD2 3.74Å; Y131-F171 HydrophobicContact CG-CD2 3.74Å; Y131-F171 HydrophobicContact CG-CE1 4.26Å; Y131-F171 AromaticContact CG-CE2 3.69Å; Y131-F171 HydrophobicContact CG-CE2 3.69Å; Y131-F171 HydrophobicContact CG-CG 4.05Å; Y131-F171 AromaticContact CG-CZ 3.95Å; Y131-F171 HydrophobicContact CG-CZ 3.95Å; V134-F171 HydrophobicContact CB-CE1 3.77Å; V134-F171 HydrophobicContact CB-CZ 4.1Å; V134-F171 HydrophobicContact CG1-CE1 3.75Å; V134-F171 HydrophobicContact CG1-CZ 4.23Å; V134-F171 HydrophobicContact CG2-CE1 4.22Å; E135-F171 HydrophobicContact CG-CE2 4.29Å; E135-F171 HydrophobicContact CG-CZ 4Å; D167-F171 VanDerWaalsContact O-CB 3.3Å; D167-F171 WeakPolarHBondContact O-CB 3.13Å; D167-F171 PolarHBondContact O-N 2.97Å; V168-F171 PolarHBondContact O-N 3.41Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 2.96Å; F171-K174 WeakPolarHBondContact O-CB 3.35Å; F171-K174 PolarHBondContact O-N 3.23Å; F171-Q175 HydrophobicContact CD1-CG 4.43Å; F171-Q175 HydrophobicContact CD2-CG 4.19Å; F171-Q175 HydrophobicContact CE1-CG 4.02Å; F171-Q175 HydrophobicContact CE2-CG 3.75Å; F171-Q175 HydrophobicContact CZ-CG 3.66Å; F171-Q175 WeakPolarHBondContact O-CB 3.26Å; F171-Q175 WeakPolarHBondContact O-CG 3.17Å; F171-Q175 PolarHBondContact O-N 3.43Å
172V98.1Very high98.1Very high18 Ų1847.5 Ų47.511%0.10925%0.247CC..Hα-helixtrans-65-34.6-179.4-61.10000111.8I147 V168 L169 Q175 N176 Y177I147-V172 HydrophobicContact CD1-CG1 3.67Å; V168-V172 HydrophobicContact CG1-CG1 4.37Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 2.91Å; L169-V172 WeakPolarHBondContact O-CG2 3.3Å; V172-Q175 PolarHBondContact O-N 3.12Å; V172-N176 WeakPolarHBondContact O-CA 3.25Å; V172-N176 PolarHBondContact O-N 3.04Å; V172-Y177 PolarHBondContact O-N 3.22Å
173K97.8Very high98.2Very high169 Ų16946.4 Ų46.474%0.73524%0.241SC*.Hα-helixtrans-63.7-47.3172.7-175.1-179.7-178.51780111.4L169 F171 Q175 N176L169-K173 VanDerWaalsContact O-CB 3.29Å; L169-K173 WeakPolarHBondContact O-CB 3.26Å; L169-K173 PolarHBondContact O-N 2.76Å; L169-K173 VanDerWaalsContact O-N 3.08Å; F171-K173 VanDerWaalsContact C-N 3.29Å; F171-K173 PolarHBondContact O-N 2.96Å; K173-Q175 VanDerWaalsContact C-N 3.31Å; K173-Q175 PolarHBondContact O-N 3.29Å; K173-N176 PolarHBondContact O-N 3.05Å; K173-N176 VanDerWaalsContact O-N 3.09Å
174K98.2Very high98.2Very high178 Ų17844.8 Ų44.877%0.77422%0.224SC*.Hα-helixtrans-60.8-40.9176.1179.4-176.9176.3-1750111.6N170 F171 N176N170-K174 VanDerWaalsContact O-CB 3.32Å; N170-K174 WeakPolarHBondContact O-CB 3.5Å; N170-K174 PolarHBondContact O-N 3.2Å; F171-K174 WeakPolarHBondContact O-CB 3.35Å; F171-K174 PolarHBondContact O-N 3.23Å; K174-N176 VanDerWaalsContact C-N 3.25Å; K174-N176 PolarHBondContact O-N 3.45Å
175Q97.5Very high98.2Very high30 Ų3043.8 Ų43.814%0.1422%0.219CC..Hα-helixtrans-74.1-16.4176.7-68.8-58.9-23.600112.8E135 K138 F171 V172 K173 Y177E135-Q175 PolarHBondContact OE1-NE2 2.91Å; K138-Q175 WeakPolarHBondContact CE-O 3.45Å; K138-Q175 PolarHBondContact NZ-O 3.32Å; F171-Q175 HydrophobicContact CD1-CG 4.43Å; F171-Q175 HydrophobicContact CD2-CG 4.19Å; F171-Q175 HydrophobicContact CE1-CG 4.02Å; F171-Q175 HydrophobicContact CE2-CG 3.75Å; F171-Q175 HydrophobicContact CZ-CG 3.66Å; F171-Q175 WeakPolarHBondContact O-CB 3.26Å; F171-Q175 WeakPolarHBondContact O-CG 3.17Å; F171-Q175 PolarHBondContact O-N 3.43Å; V172-Q175 PolarHBondContact O-N 3.12Å; K173-Q175 VanDerWaalsContact C-N 3.31Å; K173-Q175 PolarHBondContact O-N 3.29Å; Q175-Y177 PolarHBondContact O-N 3.26Å; Q175-Y177 VanDerWaalsContact O-N 3.14Å
176N98Very high98.2Very high152 Ų15244 Ų4481%0.81322%0.22SC*.THydrogen-bonded Turntrans4738.1-168.4-16836.5000111.6V172 K173 K174V172-N176 WeakPolarHBondContact O-CA 3.25Å; V172-N176 PolarHBondContact O-N 3.04Å; K173-N176 PolarHBondContact O-N 3.05Å; K173-N176 VanDerWaalsContact O-N 3.09Å; K174-N176 VanDerWaalsContact C-N 3.25Å; K174-N176 PolarHBondContact O-N 3.45Å
177Y98.4Very high98.2Very high34 Ų3443.8 Ų43.813%0.13322%0.215CC..  trans-164.2142.1-173.7-173.7-97.2000110V134 I137 K138 V142 C145 V172 Q175V134-Y177 HydrophobicContact CG1-CD1 3.83Å; V134-Y177 HydrophobicContact CG1-CE1 4.3Å; I137-Y177 HydrophobicContact CG2-CE1 4.11Å; I137-Y177 WeakPolarHBondContact CG2-OH 3.36Å; K138-Y177 HydrophobicContact CB-CD1 3.52Å; K138-Y177 HydrophobicContact CB-CD2 4.46Å; K138-Y177 HydrophobicContact CB-CE1 3.72Å; K138-Y177 HydrophobicContact CB-CG 3.93Å; K138-Y177 HydrophobicContact CD-CD1 4.2Å; K138-Y177 HydrophobicContact CD-CG 3.95Å; K138-Y177 HydrophobicContact CG-CD1 3.88Å; K138-Y177 HydrophobicContact CG-CD2 4.1Å; K138-Y177 HydrophobicContact CG-CE1 4.38Å; K138-Y177 HydrophobicContact CG-CG 3.72Å; V142-Y177 VanDerWaalsContact O-CE2 3.26Å; V142-Y177 WeakPolarHBondContact O-CE2 3.47Å; V142-Y177 PolarHBondContact O-OH 2.86Å; C145-Y177 HydrophobicContact CB-CD1 4.39Å; C145-Y177 HydrophobicContact CB-CE1 3.47Å; C145-Y177 VanDerWaalsContact CB-CE1 3.47Å; C145-Y177 WeakPolarHBondContact CB-OH 3.29Å; V172-Y177 PolarHBondContact O-N 3.22Å; Q175-Y177 PolarHBondContact O-N 3.26Å; Q175-Y177 VanDerWaalsContact O-N 3.14Å
178G98.2Very high98.2Very high16 Ų1641.9 Ų41.917%0.16520%0.202CC..  trans94.2145.3-173.900000112.4C145C145-G178 CarbonylContact O-C 3.58Å; C145-G178 WeakPolarHBondContact O-CA 3.49Å
179V97.9Very high98.2Very high48 Ų4841.9 Ų41.929%0.29120%0.202SC..EExtended strand (participates in β ladder)trans-131.8118.6179.3176.40000108.7C145 F146 I147 A181C145-V179 PolarHBondContact O-N 3.03Å; F146-V179 CarbonylContact C-O 3.54Å; F146-V179 WeakPolarHBondContact CA-O 3.4Å; F146-V179 HydrophobicContact CD1-CB 3.84Å; F146-V179 HydrophobicContact CD1-CG1 4.13Å; F146-V179 HydrophobicContact CD1-CG2 4.48Å; F146-V179 HydrophobicContact CE1-CB 4.22Å; F146-V179 HydrophobicContact CE1-CG1 4.42Å; F146-V179 HydrophobicContact CE1-CG2 4.43Å; I147-V179 PolarHBondContact N-O 2.65Å; V179-A181 PolarHBondContact O-N 3.08Å; V179-A181 VanDerWaalsContact O-N 3.16Å
180L98.4Very high98.2Very high5 Ų540.8 Ų40.83%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-69108.3168.1-178.961000108.5I147 F149 I165 V168 L169 I183 L241I147-L180 HydrophobicContact CB-CD1 4.39Å; I147-L180 HydrophobicContact CG2-CD1 4.1Å; F149-L180 HydrophobicContact CB-CD1 3.7Å; F149-L180 HydrophobicContact CD2-CD1 4.36Å; F149-L180 HydrophobicContact CG-CD1 4.45Å; I165-L180 HydrophobicContact CG2-CD2 4.22Å; V168-L180 HydrophobicContact CG1-CD1 4.36Å; L169-L180 HydrophobicContact CD2-CB 4.32Å; L169-L180 HydrophobicContact CD2-CD2 3.89Å; L169-L180 HydrophobicContact CG-CD2 4.27Å; L180-I183 HydrophobicContact CD1-CG1 4.4Å; L180-I183 HydrophobicContact CD2-CD1 4.22Å; L180-I183 HydrophobicContact CD2-CG1 4.49Å; L180-L241 HydrophobicContact CB-CD1 4.42Å; L180-L241 HydrophobicContact CD2-CD1 3.7Å; L180-L241 HydrophobicContact CG-CD1 3.66Å; L180-L241 WeakPolarHBondContact O-CB 3.31Å
181A97.5Very high98.1Very high0 Ų037 Ų370%018%0.176CC..EExtended strand (participates in β ladder)trans-97.9-44.2-168.700000112.9F146 I147 V179 L241 S242F146-A181 HydrophobicContact CB-CB 4.15Å; F146-A181 HydrophobicContact CD1-CB 4.43Å; I147-A181 PolarHBondContact O-N 3.28Å; V179-A181 PolarHBondContact O-N 3.08Å; V179-A181 VanDerWaalsContact O-N 3.16Å; A181-L241 PolarHBondContact O-N 3.42Å; A181-S242 PolarHBondContact O-N 2.82Å
182T98.3Very high97.9Very high1 Ų141.1 Ų41.11%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-142.1143.4-175.5-51.60000109.7H148 F149 L206 I239 I240H148-T182 WeakPolarHBondContact ND1-CB 3.46Å; H148-T182 PolarHBondContact ND1-OG1 3.48Å; H148-T182 VanDerWaalsContact ND1-OG1 3.11Å; F149-T182 PolarHBondContact N-O 2.93Å; T182-L206 HydrophobicContact CG2-CD2 4.23Å; T182-I239 WeakPolarHBondContact CA-O 3.4Å; T182-I240 HydrophobicContact CG2-CD1 3.84Å
183I98.7Very high97.8Very high0 Ų045 Ų450%021%0.211CC..EExtended strand (participates in β ladder)trans-117.4133.9164.8-66.1155.9000107.8F149 I165 L180 I219 L236 P238 I239 L241F149-I183 HydrophobicContact CB-CG1 3.98Å; F149-I183 HydrophobicContact CD1-CG1 4.3Å; F149-I183 HydrophobicContact CD1-CG2 4.08Å; F149-I183 HydrophobicContact CG-CG1 4.22Å; F149-I183 WeakPolarHBondContact O-CA 3.27Å; I165-I183 HydrophobicContact CD1-CD1 3.71Å; I165-I183 HydrophobicContact CD1-CG1 4.5Å; I165-I183 HydrophobicContact CG1-CD1 3.94Å; I165-I183 HydrophobicContact CG2-CD1 4.35Å; L180-I183 HydrophobicContact CD1-CG1 4.4Å; L180-I183 HydrophobicContact CD2-CD1 4.22Å; L180-I183 HydrophobicContact CD2-CG1 4.49Å; I183-I219 HydrophobicContact CD1-CD1 3.67Å; I183-I219 HydrophobicContact CD1-CG1 3.54Å; I183-L236 HydrophobicContact CG2-CD1 4.05Å; I183-P238 CarbonylContact O-C 3.33Å; I183-P238 WeakPolarHBondContact O-CA 3.32Å; I183-I239 HydrophobicContact CB-CB 4.43Å; I183-I239 PolarHBondContact N-O 2.8Å; I183-I239 PolarHBondContact O-N 3.3Å; I183-L241 HydrophobicContact CD1-CD1 3.83Å; I183-L241 HydrophobicContact CG1-CD1 4.41Å
184V98.6Very high97.6Very high0 Ų044.4 Ų44.40%021%0.209CC..EExtended strand (participates in β ladder)trans-150.8141.2175.957.50000110.6F149 F150 S151 Y188 A189 A202 P238F149-V184 PolarHBondContact O-N 3.13Å; F150-V184 CarbonylContact C-O 3.51Å; F150-V184 WeakPolarHBondContact CA-O 3.37Å; F150-V184 HydrophobicContact CD1-CG1 3.43Å; F150-V184 VanDerWaalsContact CD1-CG1 3.43Å; F150-V184 HydrophobicContact CE1-CG1 3.75Å; F150-V184 HydrophobicContact CG-CG1 4.47Å; S151-V184 PolarHBondContact N-O 3.16Å; S151-V184 PolarHBondContact OG-O 3.3Å; V184-Y188 HydrophobicContact CG2-CD2 4.29Å; V184-A189 HydrophobicContact CG1-CB 4.02Å; V184-A202 HydrophobicContact CG2-CB 4.22Å; V184-P238 HydrophobicContact CB-CG 4.43Å; V184-P238 HydrophobicContact CG2-CG 3.98Å
185G98.5Very high97.6Very high0 Ų041.4 Ų41.40%019%0.193CC..EExtended strand (participates in β ladder)trans-61.5139.6176.300000113.1S151 Y187 Y188 A189 D233 E234 L236S151-G185 VanDerWaalsContact OG-CA 3.22Å; S151-G185 WeakPolarHBondContact OG-CA 3.36Å; S151-G185 PolarHBondContact OG-N 3.37Å; G185-Y187 PolarHBondContact O-N 3.34Å; G185-Y187 VanDerWaalsContact O-N 3.11Å; G185-Y188 PolarHBondContact O-N 3.12Å; G185-A189 PolarHBondContact O-N 3.16Å; G185-A189 VanDerWaalsContact O-N 3.17Å; G185-D233 WeakPolarHBondContact CA-O 3.24Å; G185-E234 CarbonylContact C-O 3.38Å; G185-E234 WeakPolarHBondContact CA-O 3.49Å; G185-L236 PolarHBondContact N-O 3.31Å
186R98Very high97.6Very high4 Ų442.1 Ų42.12%0.01519%0.194CC..Hα-helixtrans-55.3-27.2173.970.4-179.9-59175.4-2.4112.6L117 H124 S151 D152 D155 Y188 M190 E234L117-R186 HydrophobicContact CD1-CB 3.84Å; H124-R186 PolarHBondContact CD2-NH2 3.23Å; H124-R186 PolarHBondContact NE2-NH2 3.46Å; S151-R186 VanDerWaalsContact O-CB 3.31Å; S151-R186 WeakPolarHBondContact O-CB 3.41Å; S151-R186 WeakPolarHBondContact O-CG 3.4Å; S151-R186 PolarHBondContact O-N 2.93Å; D152-R186 WeakPolarHBondContact O-CD 3.33Å; D152-R186 IonicContact OD1-CZ 3.24Å; D152-R186 IonicContact OD1-NH1 3.27Å; D152-R186 PolarHBondContact OD1-NH1 3.1Å; D155-R186 VanDerWaalsContact CG-NH1 3.3Å; D155-R186 IonicContact OD1-NH1 3.77Å; D155-R186 IonicContact OD2-CZ 2.66Å; D155-R186 IonicContact OD2-NH1 3.75Å; D155-R186 PolarHBondContact OD2-NH1 3.28Å; D155-R186 IonicContact OD2-NH2 3.02Å; D155-R186 PolarHBondContact OD2-NH2 2.69Å; R186-Y188 PolarHBondContact O-N 2.77Å; R186-M190 HydrophobicContact CB-CB 4.15Å; R186-M190 HydrophobicContact CB-CG 4.35Å; R186-M190 HydrophobicContact CB-SD 3.8Å; R186-M190 CarbonylContact O-C 2.99Å; R186-M190 WeakPolarHBondContact O-CA 3.41Å; R186-M190 VanDerWaalsContact O-CB 3.25Å; R186-M190 WeakPolarHBondContact O-CB 3.46Å; R186-M190 PolarHBondContact O-N 2.85Å; R186-E234 HydrophobicContact CG-CB 4.35Å; R186-E234 HydrophobicContact CG-CG 3.87Å; R186-E234 PolarHBondContact N-O 2.96Å
187Y98.1Very high97.6Very high66 Ų6639.8 Ų39.826%0.25918%0.178SC..Hα-helixtrans-54.8-38174.2178.9-97.4000112.6G185 R198 E234 F235G185-Y187 PolarHBondContact O-N 3.34Å; G185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-R198 HydrophobicContact CD1-CG 4.47Å; Y187-R198 HydrophobicContact CE1-CG 3.94Å; Y187-R198 VanDerWaalsContact OH-CZ 3.27Å; Y187-R198 PolarHBondContact OH-NE 3.31Å; Y187-R198 PolarHBondContact OH-NH2 3.22Å; Y187-E234 WeakPolarHBondContact CB-O 3.05Å; Y187-E234 PolarHBondContact N-O 3.05Å; Y187-F235 HydrophobicContact CD1-CD1 4.04Å; Y187-F235 AromaticContact CD2-CD1 3.74Å; Y187-F235 HydrophobicContact CD2-CD1 3.74Å; Y187-F235 AromaticContact CD2-CE1 3.42Å; Y187-F235 HydrophobicContact CD2-CE1 3.42Å; Y187-F235 VanDerWaalsContact CD2-CE1 3.42Å; Y187-F235 HydrophobicContact CE2-CD1 4.25Å; Y187-F235 AromaticContact CE2-CE1 3.82Å; Y187-F235 HydrophobicContact CE2-CE1 3.82Å; Y187-F235 AromaticContact CG-CD1 3.6Å; Y187-F235 HydrophobicContact CG-CD1 3.6Å; Y187-F235 AromaticContact CG-CE1 3.81Å; Y187-F235 HydrophobicContact CG-CE1 3.81Å
188Y98.4Very high97.5Very high31 Ų3139.9 Ų39.912%0.12218%0.178CC..Hα-helixtrans-88.4-47.3179.2-59.9-66.9000112.3V184 G185 R186 R198 N199 V201 F235 L236 K237V184-Y188 HydrophobicContact CG2-CD2 4.29Å; G185-Y188 PolarHBondContact O-N 3.12Å; R186-Y188 PolarHBondContact O-N 2.77Å; Y188-R198 HydrophobicContact CD1-CB 4.36Å; Y188-R198 CarbonylContact O-C 3.56Å; Y188-N199 WeakPolarHBondContact O-CA 3.28Å; Y188-N199 PolarHBondContact O-N 3.17Å; Y188-V201 HydrophobicContact CD1-CB 3.82Å; Y188-V201 HydrophobicContact CD1-CG1 3.81Å; Y188-V201 HydrophobicContact CD1-CG2 4.27Å; Y188-V201 HydrophobicContact CD2-CG1 4.46Å; Y188-V201 HydrophobicContact CE1-CB 4.35Å; Y188-V201 HydrophobicContact CE1-CG1 4.14Å; Y188-V201 HydrophobicContact CE1-CG2 4.4Å; Y188-V201 HydrophobicContact CG-CB 4.31Å; Y188-V201 HydrophobicContact CG-CG1 4Å; Y188-F235 WeakPolarHBondContact CE2-O 3.45Å; Y188-L236 WeakPolarHBondContact CD2-O 3.14Å; Y188-K237 HydrophobicContact CE2-CB 4.4Å; Y188-K237 HydrophobicContact CE2-CG 3.67Å; Y188-K237 WeakPolarHBondContact OH-CE 3.46Å
189A98.1Very high97.5Very high0 Ų039.1 Ų39.10%017%0.171CC..Hα-helixtrans-77.1-29.7-172.800000113.7F150 V184 G185 A202F150-A189 HydrophobicContact CB-CB 4.43Å; F150-A189 HydrophobicContact CD1-CB 3.69Å; F150-A189 HydrophobicContact CD2-CB 3.76Å; F150-A189 HydrophobicContact CE1-CB 3.76Å; F150-A189 HydrophobicContact CE2-CB 3.81Å; F150-A189 HydrophobicContact CG-CB 3.7Å; F150-A189 HydrophobicContact CZ-CB 3.82Å; V184-A189 HydrophobicContact CG1-CB 4.02Å; G185-A189 PolarHBondContact O-N 3.16Å; G185-A189 VanDerWaalsContact O-N 3.17Å; A189-A202 HydrophobicContact CB-CB 4.04Å
190M97.7Very high97.5Very high1 Ų139.3 Ų39.31%0.00517%0.169CC..THydrogen-bonded Turntrans-125.334.8-164.3-65.5178.367.900112.5L117 H124 F150 R186 D274 R279 M280L117-M190 HydrophobicContact CB-CE 4.24Å; L117-M190 HydrophobicContact CB-SD 3.9Å; L117-M190 HydrophobicContact CD1-SD 3.79Å; L117-M190 HydrophobicContact CG-SD 4.35Å; H124-M190 HydrophobicContact CB-CE 4.01Å; F150-M190 HydrophobicContact CB-SD 4.2Å; F150-M190 HydrophobicContact CD2-CG 3.8Å; F150-M190 HydrophobicContact CD2-SD 3.95Å; F150-M190 HydrophobicContact CE2-CG 4.38Å; R186-M190 HydrophobicContact CB-CB 4.15Å; R186-M190 HydrophobicContact CB-CG 4.35Å; R186-M190 HydrophobicContact CB-SD 3.8Å; R186-M190 CarbonylContact O-C 2.99Å; R186-M190 WeakPolarHBondContact O-CA 3.41Å; R186-M190 VanDerWaalsContact O-CB 3.25Å; R186-M190 WeakPolarHBondContact O-CB 3.46Å; R186-M190 PolarHBondContact O-N 2.85Å; M190-D274 WeakPolarHBondContact CE-OD2 3.4Å; M190-R279 WeakPolarHBondContact CA-O 3.42Å; M190-R279 HydrophobicContact CB-CB 4Å; M190-R279 HydrophobicContact CE-CB 3.9Å; M190-R279 WeakPolarHBondContact O-CB 3.5Å; M190-R279 WeakPolarHBondContact O-CD 3.24Å; M190-R279 PolarHBondContact O-NH1 3.42Å; M190-M280 HydrophobicContact CG-SD 4.03Å
191D97.1Very high97.5Very high3 Ų341 Ų412%0.01618%0.18CC..  trans-64.3143.5169.3-170.479.3000110.8D193 K194 R195 R198 Q282D191-D193 PolarHBondContact OD2-N 3.47Å; D191-K194 PolarHBondContact OD2-N 3.12Å; D191-R195 PolarHBondContact OD2-N 2.86Å; D191-R198 HydrophobicContact CB-CB 4.3Å; D191-R198 WeakPolarHBondContact OD1-CD 3.29Å; D191-R198 IonicContact OD1-CZ 3.92Å; D191-R198 IonicContact OD1-NE 2.96Å; D191-R198 IonicContact OD1-NH1 3.75Å; D191-R198 PolarHBondContact OD1-NH1 3.04Å; D191-Q282 VanDerWaalsContact O-CD 3.26Å; D191-Q282 PolarHBondContact O-NE2 3.09Å; D191-Q282 PolarHBondContact OD2-NE2 2.86Å
192R94.2Very high97.5Very high107 Ų10741 Ų4140%0.40418%0.18SC..  trans-129.52.3177.670.6177.1-172.6-172.43.3113.5D278 R279 Q282R192-D278 WeakPolarHBondContact CD-OD2 3.19Å; R192-D278 IonicContact CZ-OD2 3.22Å; R192-D278 IonicContact NE-OD2 3.5Å; R192-D278 IonicContact NH1-OD2 2.76Å; R192-D278 PolarHBondContact NH1-OD2 2.96Å; R192-R279 HydrophobicContact CB-CG 4.22Å; R192-R279 HydrophobicContact CG-CG 4.31Å; R192-Q282 PolarHBondContact O-OE1 3.36Å
193D95.5Very high97.4Very high100 Ų10041 Ų4154%0.53518%0.179SC..SBendtrans-103.917.5-172.9-61.6-29.3000111.7D191 R195D191-D193 PolarHBondContact OD2-N 3.47Å; D193-R195 HydrophobicContact CB-CG 4.43Å; D193-R195 PolarHBondContact O-N 3.17Å
194K95.2Very high97.3Very high156 Ų15643 Ų4368%0.67819%0.189SC*.  trans58.829.2-176.5-56.9177.4179.2178.30113.4D191 W196 Q282D191-K194 PolarHBondContact OD2-N 3.12Å; K194-W196 PolarHBondContact O-N 3.46Å; K194-W196 PolarHBondContact O-NE1 3.07Å; K194-Q282 VanDerWaalsContact CA-OE1 3.3Å
195R97.1Very high97.1Very high116 Ų11643 Ų4344%0.43819%0.189SC..  trans-84.772.8172.9-69.4176.2-176.7-88.54.5109.4D191 D193 E197 R198D191-R195 PolarHBondContact OD2-N 2.86Å; D193-R195 HydrophobicContact CB-CG 4.43Å; D193-R195 PolarHBondContact O-N 3.17Å; R195-E197 VanDerWaalsContact CA-OE2 3.31Å; R195-E197 WeakPolarHBondContact CA-OE2 3.3Å; R195-E197 WeakPolarHBondContact CB-OE1 3.28Å; R195-E197 PolarHBondContact O-N 2.93Å; R195-E197 VanDerWaalsContact O-N 3.13Å; R195-R198 HydrophobicContact CB-CG 4.11Å; R195-R198 VanDerWaalsContact CD-NH1 3.31Å; R195-R198 VanDerWaalsContact O-CB 3.27Å; R195-R198 WeakPolarHBondContact O-CB 3.27Å; R195-R198 PolarHBondContact O-N 2.86Å
196W97.5Very high97Very high45 Ų4543 Ų4317%0.1719%0.189CC..Hα-helixtrans-60.5-22.9-171.8-61.8109.8000113.9K194 R198 N199 M200 Q282 N292 F293K194-W196 PolarHBondContact O-N 3.46Å; K194-W196 PolarHBondContact O-NE1 3.07Å; W196-R198 PolarHBondContact O-N 2.7Å; W196-N199 HydrophobicContact CE3-CB 4.47Å; W196-N199 PolarHBondContact O-N 3.07Å; W196-M200 WeakPolarHBondContact O-CB 3.43Å; W196-M200 PolarHBondContact O-N 3.3Å; W196-Q282 HydrophobicContact CH2-CB 4.08Å; W196-Q282 HydrophobicContact CH2-CG 3.71Å; W196-Q282 HydrophobicContact CZ2-CG 4.34Å; W196-Q282 HydrophobicContact CZ3-CB 3.81Å; W196-Q282 HydrophobicContact CZ3-CG 3.89Å; W196-N292 HydrophobicContact CD2-CB 3.53Å; W196-N292 HydrophobicContact CE3-CB 3.85Å; W196-N292 HydrophobicContact CG-CB 4.04Å; W196-N292 HydrophobicContact CH2-CB 3.94Å; W196-N292 WeakPolarHBondContact CH2-ND2 3.42Å; W196-N292 HydrophobicContact CZ2-CB 3.63Å; W196-N292 VanDerWaalsContact CZ2-ND2 3.29Å; W196-N292 WeakPolarHBondContact CZ2-ND2 3.35Å; W196-N292 HydrophobicContact CZ3-CB 4.04Å; W196-F293 HydrophobicContact CB-CB 4.07Å; W196-F293 HydrophobicContact CB-CD1 4.09Å; W196-F293 HydrophobicContact CE3-CD1 4.25Å
197E97.5Very high96.8Very high103 Ų10343.1 Ų43.148%0.48119%0.19SC..Hα-helixtrans-59.4-30.2171.271.2-78.7-173.300112.5R195 V201R195-E197 VanDerWaalsContact CA-OE2 3.31Å; R195-E197 WeakPolarHBondContact CA-OE2 3.3Å; R195-E197 WeakPolarHBondContact CB-OE1 3.28Å; R195-E197 PolarHBondContact O-N 2.93Å; R195-E197 VanDerWaalsContact O-N 3.13Å; E197-V201 WeakPolarHBondContact O-CG2 3.24Å; E197-V201 PolarHBondContact O-N 3.21Å
198R97.7Very high96.5Very high36 Ų3640.9 Ų40.914%0.13619%0.185CC..Hα-helixtrans-74.5-48176-61.2177.6-179.1177.7-10.1111.1Y187 Y188 D191 R195 W196 M200 V201 A202Y187-R198 HydrophobicContact CD1-CG 4.47Å; Y187-R198 HydrophobicContact CE1-CG 3.94Å; Y187-R198 VanDerWaalsContact OH-CZ 3.27Å; Y187-R198 PolarHBondContact OH-NE 3.31Å; Y187-R198 PolarHBondContact OH-NH2 3.22Å; Y188-R198 HydrophobicContact CD1-CB 4.36Å; Y188-R198 CarbonylContact O-C 3.56Å; D191-R198 HydrophobicContact CB-CB 4.3Å; D191-R198 WeakPolarHBondContact OD1-CD 3.29Å; D191-R198 IonicContact OD1-CZ 3.92Å; D191-R198 IonicContact OD1-NE 2.96Å; D191-R198 IonicContact OD1-NH1 3.75Å; D191-R198 PolarHBondContact OD1-NH1 3.04Å; R195-R198 HydrophobicContact CB-CG 4.11Å; R195-R198 VanDerWaalsContact CD-NH1 3.31Å; R195-R198 VanDerWaalsContact O-CB 3.27Å; R195-R198 WeakPolarHBondContact O-CB 3.27Å; R195-R198 PolarHBondContact O-N 2.86Å; W196-R198 PolarHBondContact O-N 2.7Å; R198-M200 PolarHBondContact O-N 3.04Å; R198-V201 PolarHBondContact O-N 3.44Å; R198-A202 PolarHBondContact O-N 2.75Å
199N97.7Very high96.3Very high0 Ų039.7 Ų39.70%018%0.182CC..Hα-helixtrans-62.1-33.7175.6-66.5108.3000111.8Y188 W196 V201 A202 Y203 Q282 F293Y188-N199 WeakPolarHBondContact O-CA 3.28Å; Y188-N199 PolarHBondContact O-N 3.17Å; W196-N199 HydrophobicContact CE3-CB 4.47Å; W196-N199 PolarHBondContact O-N 3.07Å; N199-V201 PolarHBondContact O-N 3.24Å; N199-A202 PolarHBondContact O-N 3.26Å; N199-Y203 WeakPolarHBondContact O-CB 3.15Å; N199-Y203 PolarHBondContact O-N 2.83Å; N199-Q282 PolarHBondContact OD1-NE2 3.33Å; N199-F293 HydrophobicContact CB-CE1 4.13Å
200M97.7Very high96.1Very high51 Ų5143.2 Ų43.225%0.25120%0.203SC..Hα-helixtrans-58.4-46.4174.8-176.5-178.47700111.4W196 R198 A202 Y203 E204 F293 E294W196-M200 WeakPolarHBondContact O-CB 3.43Å; W196-M200 PolarHBondContact O-N 3.3Å; R198-M200 PolarHBondContact O-N 3.04Å; M200-A202 PolarHBondContact O-N 2.86Å; M200-Y203 PolarHBondContact O-N 3.32Å; M200-E204 HydrophobicContact CG-CG 4.26Å; M200-E204 WeakPolarHBondContact O-CB 3.05Å; M200-E204 WeakPolarHBondContact O-CG 3.48Å; M200-E204 PolarHBondContact O-N 2.95Å; M200-F293 HydrophobicContact CB-CD1 4.35Å; M200-F293 HydrophobicContact CB-CD2 3.57Å; M200-F293 HydrophobicContact CB-CE2 3.75Å; M200-F293 HydrophobicContact CB-CG 3.89Å; M200-F293 HydrophobicContact CB-CZ 4.23Å; M200-F293 HydrophobicContact CG-CD2 3.55Å; M200-F293 HydrophobicContact CG-CE2 3.75Å; M200-F293 HydrophobicContact CG-CG 4.31Å; M200-F293 HydrophobicContact SD-CD2 4.17Å; M200-E294 VanDerWaalsContact SD-O 3.34Å
201V98.2Very high95.9Very high42 Ų4245.1 Ų45.126%0.25522%0.223SC..Hα-helixtrans-58.1-47.7177172.10000111.1Y188 E197 R198 N199 G205 P238Y188-V201 HydrophobicContact CD1-CB 3.82Å; Y188-V201 HydrophobicContact CD1-CG1 3.81Å; Y188-V201 HydrophobicContact CD1-CG2 4.27Å; Y188-V201 HydrophobicContact CD2-CG1 4.46Å; Y188-V201 HydrophobicContact CE1-CB 4.35Å; Y188-V201 HydrophobicContact CE1-CG1 4.14Å; Y188-V201 HydrophobicContact CE1-CG2 4.4Å; Y188-V201 HydrophobicContact CG-CB 4.31Å; Y188-V201 HydrophobicContact CG-CG1 4Å; E197-V201 WeakPolarHBondContact O-CG2 3.24Å; E197-V201 PolarHBondContact O-N 3.21Å; R198-V201 PolarHBondContact O-N 3.44Å; N199-V201 PolarHBondContact O-N 3.24Å; V201-G205 PolarHBondContact O-N 3.49Å; V201-G205 VanDerWaalsContact O-N 3.17Å; V201-P238 HydrophobicContact CG1-CG 4.05Å; V201-P238 WeakPolarHBondContact O-CG 3.42Å
202A97.9Very high95.9Very high0 Ų048.2 Ų48.20%024%0.237CC..Hα-helixtrans-63.7-4517700000111.8V184 A189 R198 N199 M200 G205 L206V184-A202 HydrophobicContact CG2-CB 4.22Å; A189-A202 HydrophobicContact CB-CB 4.04Å; R198-A202 PolarHBondContact O-N 2.75Å; N199-A202 PolarHBondContact O-N 3.26Å; M200-A202 PolarHBondContact O-N 2.86Å; A202-G205 PolarHBondContact O-N 3.46Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 WeakPolarHBondContact O-CG 3.35Å; A202-L206 PolarHBondContact O-N 3.09Å
203Y96.6Very high96Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-60.1-47.9179.7177.3-87.8000112.4N199 M200 G205 L206 V207 T286 F287 R291 F293 T295 V297 H299N199-Y203 WeakPolarHBondContact O-CB 3.15Å; N199-Y203 PolarHBondContact O-N 2.83Å; M200-Y203 PolarHBondContact O-N 3.32Å; Y203-G205 VanDerWaalsContact C-N 3.29Å; Y203-G205 PolarHBondContact O-N 3.19Å; Y203-L206 PolarHBondContact O-N 3.08Å; Y203-V207 HydrophobicContact CD1-CG2 4.44Å; Y203-V207 HydrophobicContact CD2-CG2 4.16Å; Y203-V207 HydrophobicContact CE1-CG2 4.22Å; Y203-V207 HydrophobicContact CE2-CG2 3.95Å; Y203-V207 HydrophobicContact CG-CG2 4.41Å; Y203-V207 WeakPolarHBondContact O-CB 3.37Å; Y203-V207 WeakPolarHBondContact O-CG2 3.26Å; Y203-V207 PolarHBondContact O-N 3.28Å; Y203-T286 HydrophobicContact CD2-CG2 3.53Å; Y203-T286 HydrophobicContact CE2-CG2 3.92Å; Y203-T286 HydrophobicContact CG-CG2 4.33Å; Y203-F287 HydrophobicContact CD2-CD1 4.43Å; Y203-F287 AromaticContact CD2-CE1 3.84Å; Y203-F287 HydrophobicContact CD2-CE1 3.84Å; Y203-F287 HydrophobicContact CD2-CE2 4.22Å; Y203-F287 AromaticContact CD2-CZ 3.71Å; Y203-F287 HydrophobicContact CD2-CZ 3.71Å; Y203-F287 HydrophobicContact CE2-CD1 4.13Å; Y203-F287 AromaticContact CE2-CE1 3.76Å; Y203-F287 HydrophobicContact CE2-CE1 3.76Å; Y203-F287 HydrophobicContact CE2-CZ 4.13Å; Y203-R291 PolarHBondContact OH-NH1 3.07Å; Y203-F293 AromaticContact CD1-CE2 3.93Å; Y203-F293 HydrophobicContact CD1-CE2 3.93Å; Y203-F293 HydrophobicContact CD1-CZ 4.01Å; Y203-F293 HydrophobicContact CD2-CZ 4.16Å; Y203-F293 HydrophobicContact CG-CE2 4.11Å; Y203-F293 AromaticContact CG-CZ 3.69Å; Y203-F293 HydrophobicContact CG-CZ 3.69Å; Y203-T295 HydrophobicContact CD1-CG2 4.28Å; Y203-T295 HydrophobicContact CE1-CG2 4Å; Y203-V297 HydrophobicContact CE1-CB 4.23Å; Y203-V297 HydrophobicContact CE1-CG1 3.99Å; Y203-H299 AromaticContact CE2-ND1 3.85Å; Y203-H299 AromaticContact CZ-ND1 3.72Å; Y203-H299 WeakPolarHBondContact OH-CA 3.22Å; Y203-H299 PolarHBondContact OH-ND1 3.27Å
204E95.8Very high96.1Very high43 Ų4343.9 Ų43.920%0.20122%0.219CC..Hα-helixtrans-64.5-35.1178.3-68.2-173.6157.600111.9M200 A208 G209 V210 T295 V297M200-E204 HydrophobicContact CG-CG 4.26Å; M200-E204 WeakPolarHBondContact O-CB 3.05Å; M200-E204 WeakPolarHBondContact O-CG 3.48Å; M200-E204 PolarHBondContact O-N 2.95Å; E204-A208 CarbonylContact O-C 3.48Å; E204-A208 WeakPolarHBondContact O-CA 2.99Å; E204-A208 WeakPolarHBondContact O-CB 3.29Å; E204-A208 PolarHBondContact O-N 2.86Å; E204-G209 PolarHBondContact O-N 3.4Å; E204-G209 VanDerWaalsContact O-N 3.11Å; E204-V210 HydrophobicContact CB-CB 3.93Å; E204-V210 HydrophobicContact CB-CG1 4.48Å; E204-V210 HydrophobicContact CB-CG2 4.08Å; E204-V210 PolarHBondContact O-N 2.72Å; E204-V210 VanDerWaalsContact O-N 3.14Å; E204-T295 WeakPolarHBondContact OE1-CB 3.43Å; E204-T295 PolarHBondContact OE1-OG1 3.41Å; E204-V297 HydrophobicContact CB-CG2 4.35Å; E204-V297 HydrophobicContact CG-CG2 3.89Å
205G95.8Very high96.2Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-63.7-50.4170.900000112.7V201 A202 Y203 G209 V210 I240V201-G205 PolarHBondContact O-N 3.49Å; V201-G205 VanDerWaalsContact O-N 3.17Å; A202-G205 PolarHBondContact O-N 3.46Å; Y203-G205 VanDerWaalsContact C-N 3.29Å; Y203-G205 PolarHBondContact O-N 3.19Å; G205-G209 WeakPolarHBondContact O-CA 3.46Å; G205-G209 PolarHBondContact O-N 3.47Å; G205-V210 VanDerWaalsContact CA-O 3.27Å; G205-V210 WeakPolarHBondContact CA-O 3.35Å; G205-I240 WeakPolarHBondContact O-CD1 3.33Å
206L95.7Very high96Very high0 Ų037.9 Ų37.90%021%0.209CC..Hα-helixtrans-66.8-37.6-177.2-69.7167.5000113.3L115 H148 F150 T182 A202 Y203 R246 I247 F287L115-L206 HydrophobicContact CD2-CD1 4.13Å; H148-L206 HydrophobicContact CB-CD2 3.65Å; H148-L206 VanDerWaalsContact CG-CD2 3.49Å; H148-L206 VanDerWaalsContact ND1-CD2 3.32Å; H148-L206 WeakPolarHBondContact ND1-CD2 3.2Å; F150-L206 HydrophobicContact CE1-CD1 4.38Å; F150-L206 HydrophobicContact CE1-CD2 4.38Å; F150-L206 HydrophobicContact CZ-CD1 4.47Å; T182-L206 HydrophobicContact CG2-CD2 4.23Å; A202-L206 WeakPolarHBondContact O-CB 3.39Å; A202-L206 WeakPolarHBondContact O-CG 3.35Å; A202-L206 PolarHBondContact O-N 3.09Å; Y203-L206 PolarHBondContact O-N 3.08Å; L206-R246 WeakPolarHBondContact O-CA 3.43Å; L206-I247 HydrophobicContact CB-CD1 3.96Å; L206-I247 PolarHBondContact O-N 3.33Å; L206-F287 HydrophobicContact CB-CZ 4.37Å; L206-F287 HydrophobicContact CD1-CE2 4.19Å; L206-F287 HydrophobicContact CD1-CZ 4.19Å
207V94.4Very high95.9Very high6 Ų643 Ų434%0.03624%0.239CC..Hα-helixtrans-95.1-51.9-174.4178.90000112Y203 I247 F287 V297 P300Y203-V207 HydrophobicContact CD1-CG2 4.44Å; Y203-V207 HydrophobicContact CD2-CG2 4.16Å; Y203-V207 HydrophobicContact CE1-CG2 4.22Å; Y203-V207 HydrophobicContact CE2-CG2 3.95Å; Y203-V207 HydrophobicContact CG-CG2 4.41Å; Y203-V207 WeakPolarHBondContact O-CB 3.37Å; Y203-V207 WeakPolarHBondContact O-CG2 3.26Å; Y203-V207 PolarHBondContact O-N 3.28Å; V207-I247 WeakPolarHBondContact CA-O 3.26Å; V207-I247 HydrophobicContact CG2-CB 4.36Å; V207-F287 HydrophobicContact CG2-CE1 3.64Å; V207-F287 HydrophobicContact CG2-CZ 4.02Å; V207-V297 HydrophobicContact CB-CG1 3.92Å; V207-V297 HydrophobicContact CG1-CG1 3.49Å; V207-V297 VanDerWaalsContact CG1-CG1 3.49Å; V207-P300 HydrophobicContact CG1-CG 3.98Å; V207-P300 HydrophobicContact CG2-CG 4.14Å
208A91.6Very high95.9Very high18 Ų1844.1 Ų44.115%0.14924%0.243CC..Hα-helixtrans-99.4-5.8-17400000113.4E204 V210 R246 V297E204-A208 CarbonylContact O-C 3.48Å; E204-A208 WeakPolarHBondContact O-CA 2.99Å; E204-A208 WeakPolarHBondContact O-CB 3.29Å; E204-A208 PolarHBondContact O-N 2.86Å; A208-V210 VanDerWaalsContact C-N 3.25Å; A208-V210 HydrophobicContact CB-CG2 3.91Å; A208-V210 PolarHBondContact O-N 2.84Å; A208-R246 PolarHBondContact O-NH1 3.3Å; A208-V297 HydrophobicContact CB-CB 4.34Å; A208-V297 HydrophobicContact CB-CG1 3.82Å; A208-V297 HydrophobicContact CB-CG2 3.52Å
209G93.1Very high95.9Very high6 Ų642.4 Ų42.46%0.06224%0.236CC..  trans66.230.1-175.300000112.5E204 G205 G211 K213E204-G209 PolarHBondContact O-N 3.4Å; E204-G209 VanDerWaalsContact O-N 3.11Å; G205-G209 WeakPolarHBondContact O-CA 3.46Å; G205-G209 PolarHBondContact O-N 3.47Å; G209-G211 PolarHBondContact O-N 3.02Å; G209-K213 PolarHBondContact O-NZ 3.31Å
210V93.7Very high95.9Very high75 Ų7544.2 Ų44.246%0.45525%0.246SC..  trans-74.1109.3173.51780000108.4E204 G205 A208E204-V210 HydrophobicContact CB-CB 3.93Å; E204-V210 HydrophobicContact CB-CG1 4.48Å; E204-V210 HydrophobicContact CB-CG2 4.08Å; E204-V210 PolarHBondContact O-N 2.72Å; E204-V210 VanDerWaalsContact O-N 3.14Å; G205-V210 VanDerWaalsContact CA-O 3.27Å; G205-V210 WeakPolarHBondContact CA-O 3.35Å; A208-V210 VanDerWaalsContact C-N 3.25Å; A208-V210 HydrophobicContact CB-CG2 3.91Å; A208-V210 PolarHBondContact O-N 2.84Å
211G94.9Very high95.9Very high40 Ų4048.4 Ų48.441%0.41227%0.265SS..SBendtrans164.1-175.8-173.600000112G209 P238G209-G211 PolarHBondContact O-N 3.02Å; G211-P238 CarbonylContact C-O 3.59Å; G211-P238 WeakPolarHBondContact CA-O 3.21Å
212E96.6Very high95.8Very high69 Ų6947.9 Ų47.932%0.32226%0.261SS..EExtended strand (participates in β ladder)trans-73.1131.8173.6-179.2174.4-158.800109.9V222 R226 P238 I239 I240E212-V222 WeakPolarHBondContact OE2-CG1 3.28Å; E212-R226 IonicContact OE2-CZ 3.52Å; E212-R226 VanDerWaalsContact OE2-CZ 3.25Å; E212-R226 IonicContact OE2-NE 3.46Å; E212-R226 PolarHBondContact OE2-NE 2.88Å; E212-R226 IonicContact OE2-NH2 2.69Å; E212-R226 PolarHBondContact OE2-NH2 3.14Å; E212-P238 PolarHBondContact N-O 2.99Å; E212-I239 CarbonylContact O-C 3.57Å; E212-I239 WeakPolarHBondContact O-CA 3.5Å; E212-I240 PolarHBondContact O-N 3Å
213K96.8Very high95.8Very high99 Ų9947.9 Ų47.943%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-85.8129.6173.8-62.7-70.1167.7-167.10109.3G209 I240 D243G209-K213 PolarHBondContact O-NZ 3.31Å; K213-I240 HydrophobicContact CD-CB 4.07Å; K213-I240 HydrophobicContact CD-CG2 4.45Å; K213-I240 VanDerWaalsContact NZ-CG2 3.3Å; K213-D243 IonicContact NZ-OD1 2.73Å; K213-D243 PolarHBondContact NZ-OD1 3.39Å
214A96.8Very high95.9Very high16 Ų1653.6 Ų53.613%0.13229%0.286CS..  trans-133.8167.217500000110.7I219 V222 I239 I240 L241A214-I219 HydrophobicContact CB-CD1 4.18Å; A214-V222 HydrophobicContact CB-CG2 4.19Å; A214-I239 HydrophobicContact CB-CG2 3.66Å; A214-I240 PolarHBondContact N-O 3.21Å; A214-L241 HydrophobicContact CB-CD2 3.81Å
215T96.4Very high95.9Very high73 Ų7353 Ų5345%0.44829%0.292SS..  trans-113157.1171.255.60000108.9D217 K218 I219T215-D217 PolarHBondContact O-N 3.35Å; T215-K218 PolarHBondContact O-N 2.65Å; T215-I219 PolarHBondContact O-N 2.87Å
216V94.1Very high96Very high73 Ų7355.7 Ų55.744%0.44230%0.302SS..THydrogen-bonded Turntrans-54.7-37.4179.11710000111.9L169 K218 I219L169-V216 HydrophobicContact CD1-CG1 4.09Å; L169-V216 HydrophobicContact CD2-CG1 3.61Å; L169-V216 HydrophobicContact CD2-CG2 4.35Å; L169-V216 HydrophobicContact CG-CG1 4.43Å; V216-K218 VanDerWaalsContact C-N 3.28Å; V216-K218 PolarHBondContact O-N 2.99Å; V216-I219 WeakPolarHBondContact O-CG2 3.37Å
217D94.8Very high96Very high152 Ų15257.4 Ų57.481%0.81331%0.309SS*.THydrogen-bonded Turntrans-72.4-20.2-179.4-59.5-35.4000113.5T215T215-D217 PolarHBondContact O-N 3.35Å
218K97Very high96Very high127 Ų12761 Ų6155%0.55234%0.339SS*.THydrogen-bonded Turntrans-107.7-10.6-176.6-66-175.2177.1-176.60114.1T215 V216 I220 E221 V222T215-K218 PolarHBondContact O-N 2.65Å; V216-K218 VanDerWaalsContact C-N 3.28Å; V216-K218 PolarHBondContact O-N 2.99Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 3.02Å; K218-E221 WeakPolarHBondContact O-CB 3.29Å; K218-E221 PolarHBondContact O-N 2.84Å; K218-E221 VanDerWaalsContact O-N 3.08Å; K218-V222 WeakPolarHBondContact O-CG2 3.41Å; K218-V222 PolarHBondContact O-N 2.98Å
219I97.9Very high96.2Very high0 Ų066.1 Ų66.10%036%0.364CS..Hα-helixtrans-60.2-37.9-169.9-173.454.8000113.4I165 L169 I183 A214 T215 V216 E221 V222 V223 I239 L241I165-I219 HydrophobicContact CG2-CG1 4.3Å; I165-I219 HydrophobicContact CG2-CG2 3.96Å; L169-I219 HydrophobicContact CD1-CG2 3.85Å; I183-I219 HydrophobicContact CD1-CD1 3.67Å; I183-I219 HydrophobicContact CD1-CG1 3.54Å; A214-I219 HydrophobicContact CB-CD1 4.18Å; T215-I219 PolarHBondContact O-N 2.87Å; V216-I219 WeakPolarHBondContact O-CG2 3.37Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.94Å; I219-V222 HydrophobicContact CD1-CB 4.46Å; I219-V222 PolarHBondContact O-N 2.98Å; I219-V223 HydrophobicContact CD1-CG2 4.02Å; I219-V223 HydrophobicContact CG1-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CG2 3.47Å; I219-V223 PolarHBondContact O-N 3.14Å; I219-I239 HydrophobicContact CD1-CB 4.33Å; I219-I239 HydrophobicContact CD1-CD1 4.16Å; I219-I239 HydrophobicContact CD1-CG2 3.55Å; I219-L241 HydrophobicContact CB-CD2 3.88Å; I219-L241 HydrophobicContact CD1-CD1 4.41Å; I219-L241 HydrophobicContact CD1-CD2 4.04Å; I219-L241 HydrophobicContact CD1-CG 4.45Å; I219-L241 HydrophobicContact CG1-CD1 4.12Å; I219-L241 HydrophobicContact CG1-CD2 4.05Å
220I97.7Very high96.2Very high39 Ų3973 Ų7320%0.240%0.4CS..Hα-helixtrans-62.5-40.6178.6-61.2-61000110.9V162 I165 N166 K218 K224V162-I220 HydrophobicContact CG1-CD1 4.19Å; V162-I220 HydrophobicContact CG1-CG2 3.87Å; I165-I220 HydrophobicContact CB-CD1 4.21Å; I165-I220 HydrophobicContact CG2-CD1 3.82Å; N166-I220 HydrophobicContact CB-CD1 4.17Å; K218-I220 VanDerWaalsContact C-N 3.29Å; K218-I220 PolarHBondContact O-N 3.02Å; I220-K224 HydrophobicContact CG2-CD 4.29Å; I220-K224 WeakPolarHBondContact O-CB 3.48Å; I220-K224 VanDerWaalsContact O-CG 3.31Å; I220-K224 WeakPolarHBondContact O-CG 3.46Å; I220-K224 PolarHBondContact O-N 3.41Å; I220-K224 VanDerWaalsContact O-N 3.07Å
221E97.2Very high96.3Very high139 Ų13971 Ų7165%0.6539%0.385SS*.Hα-helixtrans-68.4-41.9176.8-60179.5156.700111.3K218 I219 V223 K224 G225K218-E221 WeakPolarHBondContact O-CB 3.29Å; K218-E221 PolarHBondContact O-N 2.84Å; K218-E221 VanDerWaalsContact O-N 3.08Å; I219-E221 VanDerWaalsContact C-N 3.3Å; I219-E221 PolarHBondContact O-N 2.94Å; E221-V223 PolarHBondContact O-N 3.14Å; E221-K224 PolarHBondContact O-N 3.49Å; E221-G225 PolarHBondContact O-N 2.87Å
222V97.6Very high96.4Very high30 Ų3070.7 Ų70.718%0.18238%0.375CS..Hα-helixtrans-57.8-50.2176.6171.90000110.7E212 A214 K218 I219 G225 R226 I239E212-V222 WeakPolarHBondContact OE2-CG1 3.28Å; A214-V222 HydrophobicContact CB-CG2 4.19Å; K218-V222 WeakPolarHBondContact O-CG2 3.41Å; K218-V222 PolarHBondContact O-N 2.98Å; I219-V222 HydrophobicContact CD1-CB 4.46Å; I219-V222 PolarHBondContact O-N 2.98Å; V222-G225 WeakPolarHBondContact O-CA 3.49Å; V222-G225 PolarHBondContact O-N 2.91Å; V222-R226 WeakPolarHBondContact O-CG 3.42Å; V222-R226 PolarHBondContact O-N 2.97Å; V222-I239 HydrophobicContact CG1-CD1 4.06Å; V222-I239 HydrophobicContact CG1-CG2 4.48Å
223V97.8Very high96.5Very high0 Ų067.4 Ų67.40%036%0.36CS..Hα-helixtrans-67.2-41.8-178.91770000111.7V162 I165 I219 E221 G225 R226 Y227 L236 I239V162-V223 HydrophobicContact CG2-CB 4.1Å; V162-V223 HydrophobicContact CG2-CG1 3.7Å; I165-V223 HydrophobicContact CD1-CG1 4.47Å; I165-V223 HydrophobicContact CD1-CG2 3.84Å; I219-V223 HydrophobicContact CD1-CG2 4.02Å; I219-V223 HydrophobicContact CG1-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CG2 3.47Å; I219-V223 PolarHBondContact O-N 3.14Å; E221-V223 PolarHBondContact O-N 3.14Å; V223-G225 PolarHBondContact O-N 3.4Å; V223-R226 WeakPolarHBondContact O-CB 3.13Å; V223-R226 PolarHBondContact O-N 2.69Å; V223-Y227 HydrophobicContact CG1-CD1 4.46Å; V223-Y227 HydrophobicContact CG1-CE1 3.71Å; V223-Y227 HydrophobicContact CG1-CE2 4.14Å; V223-Y227 WeakPolarHBondContact CG1-OH 3.42Å; V223-Y227 PolarHBondContact O-N 2.76Å; V223-L236 HydrophobicContact CG1-CD1 4.17Å; V223-L236 HydrophobicContact CG2-CD1 4.5Å; V223-I239 HydrophobicContact CG2-CD1 3.91Å
224K97.3Very high96.6Very high121 Ų12164.3 Ų64.353%0.52635%0.347SS..Hα-helixtrans-60-37172.3-74.1179.9-180-177.70112.1V162 I220 E221 R226 Y227 A228V162-K224 HydrophobicContact CG2-CG 3.92Å; I220-K224 HydrophobicContact CG2-CD 4.29Å; I220-K224 WeakPolarHBondContact O-CB 3.48Å; I220-K224 VanDerWaalsContact O-CG 3.31Å; I220-K224 WeakPolarHBondContact O-CG 3.46Å; I220-K224 PolarHBondContact O-N 3.41Å; I220-K224 VanDerWaalsContact O-N 3.07Å; E221-K224 PolarHBondContact O-N 3.49Å; K224-R226 VanDerWaalsContact C-N 3.34Å; K224-Y227 WeakPolarHBondContact O-CB 3.46Å; K224-Y227 PolarHBondContact O-N 3Å; K224-A228 PolarHBondContact O-N 3.46Å; K224-A228 VanDerWaalsContact O-N 3.12Å
225G97Very high96.6Very high31 Ų3167.2 Ų67.232%0.3236%0.357SS..Hα-helixtrans-64.1-35.417300000113.1E221 V222 V223 A228 N229E221-G225 PolarHBondContact O-N 2.87Å; V222-G225 WeakPolarHBondContact O-CA 3.49Å; V222-G225 PolarHBondContact O-N 2.91Å; V223-G225 PolarHBondContact O-N 3.4Å; G225-A228 PolarHBondContact O-N 2.88Å; G225-N229 PolarHBondContact O-N 2.94Å; G225-N229 PolarHBondContact O-ND2 2.96Å
226R97.1Very high96.7Very high56 Ų5663.8 Ų63.821%0.21134%0.336CS..Hα-helixtrans-64.2-43.5171.6-62.8-48.7-166.4134.8-5111.7E212 V222 V223 K224 A228 N229 N230 E231 L236E212-R226 IonicContact OE2-CZ 3.52Å; E212-R226 VanDerWaalsContact OE2-CZ 3.25Å; E212-R226 IonicContact OE2-NE 3.46Å; E212-R226 PolarHBondContact OE2-NE 2.88Å; E212-R226 IonicContact OE2-NH2 2.69Å; E212-R226 PolarHBondContact OE2-NH2 3.14Å; V222-R226 WeakPolarHBondContact O-CG 3.42Å; V222-R226 PolarHBondContact O-N 2.97Å; V223-R226 WeakPolarHBondContact O-CB 3.13Å; V223-R226 PolarHBondContact O-N 2.69Å; K224-R226 VanDerWaalsContact C-N 3.34Å; R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 3.33Å; R226-N229 CarbonylContact O-C 3.47Å; R226-N229 WeakPolarHBondContact O-CA 3.17Å; R226-N229 PolarHBondContact O-N 3.39Å; R226-N230 PolarHBondContact O-N 3.26Å; R226-E231 CarbonylContact C-O 3.54Å; R226-E231 VanDerWaalsContact C-O 3.3Å; R226-E231 HydrophobicContact CB-CB 4.19Å; R226-E231 VanDerWaalsContact CD-OE2 3.32Å; R226-E231 WeakPolarHBondContact CD-OE2 3.25Å; R226-E231 IonicContact CZ-OE2 3.42Å; R226-E231 IonicContact NE-OE2 3.83Å; R226-E231 IonicContact NH1-OE1 3.03Å; R226-E231 IonicContact NH1-OE2 2.68Å; R226-E231 PolarHBondContact NH1-OE2 3.04Å; R226-E231 PolarHBondContact O-N 3.04Å; R226-L236 HydrophobicContact CB-CD2 3.74Å; R226-L236 HydrophobicContact CG-CD2 3.92Å
227Y96.7Very high96.9Very high35 Ų3565.5 Ų65.514%0.13734%0.337CS..Hα-helixtrans-59.8-41.6176.2-58.8-20.3000112.4T159 G161 V162 V223 K224 N229 N230 E231 D233T159-Y227 HydrophobicContact CG2-CD1 4.02Å; T159-Y227 HydrophobicContact CG2-CD2 3.87Å; T159-Y227 HydrophobicContact CG2-CE1 4.26Å; T159-Y227 HydrophobicContact CG2-CE2 4.11Å; T159-Y227 HydrophobicContact CG2-CG 3.82Å; G161-Y227 PolarHBondContact N-OH 3.48Å; V162-Y227 HydrophobicContact CB-CE2 4.41Å; V162-Y227 HydrophobicContact CG2-CD2 4.45Å; V162-Y227 HydrophobicContact CG2-CE2 3.5Å; V162-Y227 VanDerWaalsContact CG2-CE2 3.5Å; V162-Y227 PolarHBondContact N-OH 2.79Å; V223-Y227 HydrophobicContact CG1-CD1 4.46Å; V223-Y227 HydrophobicContact CG1-CE1 3.71Å; V223-Y227 HydrophobicContact CG1-CE2 4.14Å; V223-Y227 WeakPolarHBondContact CG1-OH 3.42Å; V223-Y227 PolarHBondContact O-N 2.76Å; K224-Y227 WeakPolarHBondContact O-CB 3.46Å; K224-Y227 PolarHBondContact O-N 3Å; Y227-N229 PolarHBondContact O-N 3.02Å; Y227-N230 PolarHBondContact O-N 2.97Å; Y227-E231 WeakPolarHBondContact CD1-O 3.3Å; Y227-E231 PolarHBondContact N-O 2.78Å; Y227-D233 WeakPolarHBondContact CE1-OD1 3.39Å; Y227-D233 VanDerWaalsContact CZ-OD1 3.31Å; Y227-D233 VanDerWaalsContact OH-CG 3.24Å; Y227-D233 PolarHBondContact OH-OD1 3.12Å; Y227-D233 PolarHBondContact OH-OD2 2.79Å
228A94.4Very high97.1Very high82 Ų8258.4 Ų58.468%0.67830%0.3SS*.Hα-helixtrans-62.4-22.517600000113.1K224 G225 R226K224-A228 PolarHBondContact O-N 3.46Å; K224-A228 VanDerWaalsContact O-N 3.12Å; G225-A228 PolarHBondContact O-N 2.88Å; R226-A228 VanDerWaalsContact C-N 3.33Å; R226-A228 PolarHBondContact O-N 3.33Å
229N94.4Very high97.1Very high125 Ų12552.4 Ų52.467%0.66827%0.273SS*.THydrogen-bonded Turntrans-97.419174.4-67.2-50000113G225 R226 Y227 E231G225-N229 PolarHBondContact O-N 2.94Å; G225-N229 PolarHBondContact O-ND2 2.96Å; R226-N229 CarbonylContact O-C 3.47Å; R226-N229 WeakPolarHBondContact O-CA 3.17Å; R226-N229 PolarHBondContact O-N 3.39Å; Y227-N229 PolarHBondContact O-N 3.02Å; N229-E231 PolarHBondContact O-N 3.07Å
230N93.3Very high97.1Very high152 Ų15252.4 Ų52.481%0.81327%0.274SS*.THydrogen-bonded Turntrans59.722.8-178.8-58.3-54.5000115.1R226 Y227R226-N230 PolarHBondContact O-N 3.26Å; Y227-N230 PolarHBondContact O-N 2.97Å
231E96.8Very high97.1Very high31 Ų3151.8 Ų51.815%0.14527%0.27CS..  trans-99.998170.2-173.2179.2-166.500108.5R226 Y227 N229 F235 L236 K237R226-E231 CarbonylContact C-O 3.54Å; R226-E231 VanDerWaalsContact C-O 3.3Å; R226-E231 HydrophobicContact CB-CB 4.19Å; R226-E231 VanDerWaalsContact CD-OE2 3.32Å; R226-E231 WeakPolarHBondContact CD-OE2 3.25Å; R226-E231 IonicContact CZ-OE2 3.42Å; R226-E231 IonicContact NE-OE2 3.83Å; R226-E231 IonicContact NH1-OE1 3.03Å; R226-E231 IonicContact NH1-OE2 2.68Å; R226-E231 PolarHBondContact NH1-OE2 3.04Å; R226-E231 PolarHBondContact O-N 3.04Å; Y227-E231 WeakPolarHBondContact CD1-O 3.3Å; Y227-E231 PolarHBondContact N-O 2.78Å; N229-E231 PolarHBondContact O-N 3.07Å; E231-F235 HydrophobicContact CG-CB 4.42Å; E231-F235 WeakPolarHBondContact CG-O 3.43Å; E231-F235 VanDerWaalsContact OE1-O 3.06Å; E231-L236 HydrophobicContact CG-CD2 4.37Å; E231-K237 PolarHBondContact OE1-N 3.2Å
232T97.3Very high97Very high34 Ų3446 Ų4621%0.20925%0.246CC..  trans-83173.7-178.354.30000112.4P158 T159 E234 F235 L236P158-T232 HydrophobicContact CB-CG2 3.94Å; P158-T232 WeakPolarHBondContact O-CB 3.37Å; T159-T232 HydrophobicContact CG2-CG2 4.34Å; T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 PolarHBondContact O-N 3.33Å; T232-F235 CarbonylContact O-C 3.57Å; T232-F235 PolarHBondContact O-N 3.49Å; T232-F235 WeakPolarHBondContact OG1-CD2 3.48Å; T232-L236 PolarHBondContact O-N 2.61Å
233D98.3Very high96.6Very high0 Ų047.7 Ų47.70%025%0.254CS..G310 helixtrans-50.3-44.2-175.7-71.9-36.2000114.1S151 P158 T159 S160 G161 G185 Y227 F235 L236S151-D233 WeakPolarHBondContact CB-O 3.19Å; S151-D233 PolarHBondContact OG-O 2.91Å; P158-D233 VanDerWaalsContact C-OD2 3.29Å; P158-D233 PolarHBondContact O-N 3.13Å; P158-D233 VanDerWaalsContact O-OD2 3.13Å; T159-D233 WeakPolarHBondContact CA-OD2 3.43Å; T159-D233 PolarHBondContact N-OD2 2.82Å; S160-D233 PolarHBondContact N-OD2 3.16Å; G161-D233 WeakPolarHBondContact CA-OD1 3.39Å; G161-D233 WeakPolarHBondContact CA-OD2 3.36Å; G161-D233 PolarHBondContact N-OD1 2.57Å; G161-D233 PolarHBondContact N-OD2 2.93Å; G185-D233 WeakPolarHBondContact CA-O 3.24Å; Y227-D233 WeakPolarHBondContact CE1-OD1 3.39Å; Y227-D233 VanDerWaalsContact CZ-OD1 3.31Å; Y227-D233 VanDerWaalsContact OH-CG 3.24Å; Y227-D233 PolarHBondContact OH-OD1 3.12Å; Y227-D233 PolarHBondContact OH-OD2 2.79Å; D233-F235 PolarHBondContact O-N 3.12Å; D233-L236 PolarHBondContact O-N 3.27Å
234E97.9Very high96.3Very high34 Ų3450.8 Ų50.816%0.15927%0.268CS..G310 helixtrans-58.3-32.3179.8175.1166.2-163.400111.8D152 G185 R186 Y187 T232D152-E234 VanDerWaalsContact O-CA 3.31Å; D152-E234 WeakPolarHBondContact O-CA 3.39Å; D152-E234 WeakPolarHBondContact O-CB 3.25Å; G185-E234 CarbonylContact C-O 3.38Å; G185-E234 WeakPolarHBondContact CA-O 3.49Å; R186-E234 HydrophobicContact CG-CB 4.35Å; R186-E234 HydrophobicContact CG-CG 3.87Å; R186-E234 PolarHBondContact N-O 2.96Å; Y187-E234 WeakPolarHBondContact CB-O 3.05Å; Y187-E234 PolarHBondContact N-O 3.05Å; T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 PolarHBondContact O-N 3.33Å
235F98.2Very high96Very high78 Ų7845 Ų4534%0.34224%0.243SC..G310 helixtrans-110.811.6-169.4-55-75.9000114.4Y187 Y188 E231 T232 D233 K237Y187-F235 HydrophobicContact CD1-CD1 4.04Å; Y187-F235 AromaticContact CD2-CD1 3.74Å; Y187-F235 HydrophobicContact CD2-CD1 3.74Å; Y187-F235 AromaticContact CD2-CE1 3.42Å; Y187-F235 HydrophobicContact CD2-CE1 3.42Å; Y187-F235 VanDerWaalsContact CD2-CE1 3.42Å; Y187-F235 HydrophobicContact CE2-CD1 4.25Å; Y187-F235 AromaticContact CE2-CE1 3.82Å; Y187-F235 HydrophobicContact CE2-CE1 3.82Å; Y187-F235 AromaticContact CG-CD1 3.6Å; Y187-F235 HydrophobicContact CG-CD1 3.6Å; Y187-F235 AromaticContact CG-CE1 3.81Å; Y187-F235 HydrophobicContact CG-CE1 3.81Å; Y188-F235 WeakPolarHBondContact CE2-O 3.45Å; E231-F235 HydrophobicContact CG-CB 4.42Å; E231-F235 WeakPolarHBondContact CG-O 3.43Å; E231-F235 VanDerWaalsContact OE1-O 3.06Å; T232-F235 CarbonylContact O-C 3.57Å; T232-F235 PolarHBondContact O-N 3.49Å; T232-F235 WeakPolarHBondContact OG1-CD2 3.48Å; D233-F235 PolarHBondContact O-N 3.12Å; F235-K237 PolarHBondContact O-N 2.96Å; F235-K237 VanDerWaalsContact O-N 3.11Å
236L98.4Very high95.8Very high0 Ų044.8 Ų44.80%023%0.232CC..PPolyproline II helixtrans-59.3117.1176.6-67.5178.4000110.6I183 G185 Y188 V223 R226 E231 T232 D233I183-L236 HydrophobicContact CG2-CD1 4.05Å; G185-L236 PolarHBondContact N-O 3.31Å; Y188-L236 WeakPolarHBondContact CD2-O 3.14Å; V223-L236 HydrophobicContact CG1-CD1 4.17Å; V223-L236 HydrophobicContact CG2-CD1 4.5Å; R226-L236 HydrophobicContact CB-CD2 3.74Å; R226-L236 HydrophobicContact CG-CD2 3.92Å; E231-L236 HydrophobicContact CG-CD2 4.37Å; T232-L236 PolarHBondContact O-N 2.61Å; D233-L236 PolarHBondContact O-N 3.27Å
237K98Very high95.4Very high109 Ų10942.1 Ų42.147%0.47422%0.222SC..PPolyproline II helixtrans-63158.7165.5-72.2177.1-175.3174.60110.6Y188 E231 F235 I239Y188-K237 HydrophobicContact CE2-CB 4.4Å; Y188-K237 HydrophobicContact CE2-CG 3.67Å; Y188-K237 WeakPolarHBondContact OH-CE 3.46Å; E231-K237 PolarHBondContact OE1-N 3.2Å; F235-K237 PolarHBondContact O-N 2.96Å; F235-K237 VanDerWaalsContact O-N 3.11Å; K237-I239 PolarHBondContact O-N 3.18Å
238P98.3Very high94.6Very high4 Ų440.6 Ų40.63%0.02622%0.217CC..PPolyproline II helixtrans-52.4125.1-177.4-2733.3000113.3I183 V184 V201 G211 E212 I240I183-P238 CarbonylContact O-C 3.33Å; I183-P238 WeakPolarHBondContact O-CA 3.32Å; V184-P238 HydrophobicContact CB-CG 4.43Å; V184-P238 HydrophobicContact CG2-CG 3.98Å; V201-P238 HydrophobicContact CG1-CG 4.05Å; V201-P238 WeakPolarHBondContact O-CG 3.42Å; G211-P238 CarbonylContact C-O 3.59Å; G211-P238 WeakPolarHBondContact CA-O 3.21Å; E212-P238 PolarHBondContact N-O 2.99Å; P238-I240 HydrophobicContact CB-CD1 4.06Å
239I98.4Very high92.9Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-111.2120.8169.3-54.7165.4000107.2T182 I183 E212 A214 I219 V222 V223 K237T182-I239 WeakPolarHBondContact CA-O 3.4Å; I183-I239 HydrophobicContact CB-CB 4.43Å; I183-I239 PolarHBondContact N-O 2.8Å; I183-I239 PolarHBondContact O-N 3.3Å; E212-I239 CarbonylContact O-C 3.57Å; E212-I239 WeakPolarHBondContact O-CA 3.5Å; A214-I239 HydrophobicContact CB-CG2 3.66Å; I219-I239 HydrophobicContact CD1-CB 4.33Å; I219-I239 HydrophobicContact CD1-CD1 4.16Å; I219-I239 HydrophobicContact CD1-CG2 3.55Å; V222-I239 HydrophobicContact CG1-CD1 4.06Å; V222-I239 HydrophobicContact CG1-CG2 4.48Å; V223-I239 HydrophobicContact CG2-CD1 3.91Å; K237-I239 PolarHBondContact O-N 3.18Å
240I97.5Very high91Very high1 Ų135 Ų351%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-103.8118.4-172.9-42.8-57.7000109.1T182 G205 E212 K213 A214 P238T182-I240 HydrophobicContact CG2-CD1 3.84Å; G205-I240 WeakPolarHBondContact O-CD1 3.33Å; E212-I240 PolarHBondContact O-N 3Å; K213-I240 HydrophobicContact CD-CB 4.07Å; K213-I240 HydrophobicContact CD-CG2 4.45Å; K213-I240 VanDerWaalsContact NZ-CG2 3.3Å; A214-I240 PolarHBondContact N-O 3.21Å; P238-I240 HydrophobicContact CB-CD1 4.06Å
241L97.4Very high88.5Confident25 Ų2530.1 Ų30.113%0.13115%0.152CC..SBendtrans-103.9-25.3-178-69.7166.7000113L180 A181 I183 A214 I219L180-L241 HydrophobicContact CB-CD1 4.42Å; L180-L241 HydrophobicContact CD2-CD1 3.7Å; L180-L241 HydrophobicContact CG-CD1 3.66Å; L180-L241 WeakPolarHBondContact O-CB 3.31Å; A181-L241 PolarHBondContact O-N 3.42Å; I183-L241 HydrophobicContact CD1-CD1 3.83Å; I183-L241 HydrophobicContact CG1-CD1 4.41Å; A214-L241 HydrophobicContact CB-CD2 3.81Å; I219-L241 HydrophobicContact CB-CD2 3.88Å; I219-L241 HydrophobicContact CD1-CD1 4.41Å; I219-L241 HydrophobicContact CD1-CD2 4.04Å; I219-L241 HydrophobicContact CD1-CG 4.45Å; I219-L241 HydrophobicContact CG1-CD1 4.12Å; I219-L241 HydrophobicContact CG1-CD2 4.05Å
242S94.1Very high85.6Confident19 Ų1932.4 Ų32.413%0.13317%0.168CC..  trans-139.4115.7178.2-179.50000111.4A181 E244 G245A181-S242 PolarHBondContact O-N 2.82Å; S242-E244 VanDerWaalsContact C-N 3.26Å; S242-E244 PolarHBondContact O-N 3.35Å; S242-E244 PolarHBondContact OG-N 3.16Å; S242-G245 PolarHBondContact O-N 3.17Å; S242-G245 VanDerWaalsContact O-N 3.17Å; S242-G245 PolarHBondContact OG-N 3.5Å
243D90Very high82.6Confident65 Ų6537.2 Ų37.235%0.34820%0.197SC..SBendtrans-69.2-27.1172.1-78.3-19.9000112.5K213 G245 R246 L250K213-D243 IonicContact NZ-OD1 2.73Å; K213-D243 PolarHBondContact NZ-OD1 3.39Å; D243-G245 VanDerWaalsContact C-N 3.25Å; D243-G245 PolarHBondContact O-N 3.25Å; D243-R246 WeakPolarHBondContact O-CG 3.46Å; D243-R246 IonicContact OD1-CZ 3.99Å; D243-R246 VanDerWaalsContact OD1-CZ 3.24Å; D243-R246 IonicContact OD1-NE 3Å; D243-R246 PolarHBondContact OD1-NE 3.26Å; D243-R246 IonicContact OD1-NH2 3.91Å; D243-R246 PolarHBondContact OD1-NH2 3.46Å; D243-R246 IonicContact OD2-NH2 3.93Å; D243-R246 PolarHBondContact OD2-NH2 2.72Å; D243-L250 HydrophobicContact CB-CD2 4.24Å
244E91Very high79.4Confident65 Ų6542.9 Ų42.930%0.30423%0.231SC..THydrogen-bonded Turntrans-63.9-34.6170.9-167.6-170.217500110.9R111 K144 F146 S242 R246R111-E244 PolarHBondContact NH1-O 3.5Å; R111-E244 PolarHBondContact NH2-O 2.72Å; K144-E244 VanDerWaalsContact CE-OE1 3.23Å; K144-E244 WeakPolarHBondContact CE-OE1 3.32Å; K144-E244 IonicContact NZ-OE1 3.61Å; K144-E244 PolarHBondContact NZ-OE1 3.48Å; K144-E244 IonicContact NZ-OE2 3.63Å; K144-E244 PolarHBondContact NZ-OE2 3.07Å; F146-E244 HydrophobicContact CE1-CB 4.36Å; F146-E244 HydrophobicContact CE1-CG 4.2Å; F146-E244 HydrophobicContact CZ-CB 4.48Å; F146-E244 HydrophobicContact CZ-CG 3.89Å; S242-E244 VanDerWaalsContact C-N 3.26Å; S242-E244 PolarHBondContact O-N 3.35Å; S242-E244 PolarHBondContact OG-N 3.16Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.35Å
245G92.4Very high76.5Confident0 Ų043.7 Ų43.70%025%0.249CC..THydrogen-bonded Turntrans-82.80.5-174.200000116.3H113 F146 H148 S242 D243H113-G245 PolarHBondContact CE1-O 2.91Å; H113-G245 PolarHBondContact ND1-O 3.23Å; F146-G245 VanDerWaalsContact CE1-CA 3.47Å; H148-G245 PolarHBondContact CE1-O 2.91Å; H148-G245 PolarHBondContact NE2-O 2.9Å; S242-G245 PolarHBondContact O-N 3.17Å; S242-G245 VanDerWaalsContact O-N 3.17Å; S242-G245 PolarHBondContact OG-N 3.5Å; D243-G245 VanDerWaalsContact C-N 3.25Å; D243-G245 PolarHBondContact O-N 3.25Å
246R92.1Very high74Confident25 Ų2550.1 Ų50.19%0.09428%0.28CS..SBendtrans-57.2138.8171.3-62.5175.5-167.9-172.82.6110.1R111 L206 A208 D243 E244 N248 G249R111-R246 PolarHBondContact NH2-O 3Å; L206-R246 WeakPolarHBondContact O-CA 3.43Å; A208-R246 PolarHBondContact O-NH1 3.3Å; D243-R246 WeakPolarHBondContact O-CG 3.46Å; D243-R246 IonicContact OD1-CZ 3.99Å; D243-R246 VanDerWaalsContact OD1-CZ 3.24Å; D243-R246 IonicContact OD1-NE 3Å; D243-R246 PolarHBondContact OD1-NE 3.26Å; D243-R246 IonicContact OD1-NH2 3.91Å; D243-R246 PolarHBondContact OD1-NH2 3.46Å; D243-R246 IonicContact OD2-NH2 3.93Å; D243-R246 PolarHBondContact OD2-NH2 2.72Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 3.35Å; R246-N248 PolarHBondContact O-N 3.41Å; R246-G249 PolarHBondContact O-N 3Å
247I89.2Confident71.1Confident0 Ų054.2 Ų54.20%031%0.308CS..THydrogen-bonded Turntrans-65.6122.2169.9-55.4172.3000105.5L115 L206 V207 M270 F287 P300 L303L115-I247 HydrophobicContact CD2-CD1 3.93Å; L206-I247 HydrophobicContact CB-CD1 3.96Å; L206-I247 PolarHBondContact O-N 3.33Å; V207-I247 WeakPolarHBondContact CA-O 3.26Å; V207-I247 HydrophobicContact CG2-CB 4.36Å; I247-M270 HydrophobicContact CD1-CE 3.71Å; I247-M270 HydrophobicContact CD1-SD 4.2Å; I247-M270 HydrophobicContact CG2-SD 3.94Å; I247-F287 HydrophobicContact CD1-CE1 3.87Å; I247-F287 HydrophobicContact CD1-CE2 4.44Å; I247-F287 HydrophobicContact CD1-CZ 3.69Å; I247-F287 HydrophobicContact CG2-CE1 4.32Å; I247-P300 HydrophobicContact CG2-CG 4.16Å; I247-L303 HydrophobicContact CG2-CD2 4.13Å
248N78.7Confident68.4Low4 Ų459.4 Ų59.42%0.02133%0.331CS..THydrogen-bonded Turntrans85.99.9-171.6-151.222.1000116.5R246 C264 L265 D266 D268 P300R246-N248 PolarHBondContact O-N 3.41Å; N248-C264 VanDerWaalsContact CG-CA 3.44Å; N248-C264 WeakPolarHBondContact ND2-CA 3.37Å; N248-C264 WeakPolarHBondContact ND2-CB 3.45Å; N248-C264 PolarHBondContact ND2-SG 2.76Å; N248-C264 WeakPolarHBondContact OD1-CA 3.29Å; N248-C264 WeakPolarHBondContact OD1-CB 3.46Å; N248-L265 WeakPolarHBondContact O-CB 3.23Å; N248-L265 PolarHBondContact O-N 2.92Å; N248-L265 WeakPolarHBondContact OD1-CA 3.49Å; N248-L265 PolarHBondContact OD1-N 3.43Å; N248-L265 PolarHBondContact OD1-O 3.2Å; N248-L265 VanDerWaalsContact OD1-O 3.1Å; N248-D266 PolarHBondContact OD1-N 2.61Å; N248-D268 PolarHBondContact N-OD2 2.72Å; N248-P300 HydrophobicContact CB-CB 3.92Å; N248-P300 HydrophobicContact CB-CG 3.9Å
249G59.9Low65.5Low2 Ų264.3 Ų64.32%0.02136%0.36CS..  trans67.9-175.3162.200000119.5R246R246-G249 PolarHBondContact O-N 3Å
250L53Low62.7Low88 Ų8869.7 Ų69.746%0.46140%0.398SS..  trans-69.3145.6-166.3-75.8159.1000114.3D243 T252D243-L250 HydrophobicContact CB-CD2 4.24Å; L250-T252 PolarHBondContact O-N 3.28Å
251P42.5Very low59.8Low48 Ų4874.1 Ų74.131%0.31242%0.424SS..  trans-67.4115.8159.627.9-29.3000109.2V253P251-V253 PolarHBondContact O-N 2.75Å; P251-V253 VanDerWaalsContact O-N 3.17Å
252T34.6Very low57Low80 Ų8075.5 Ų75.549%0.49143%0.434SS..  trans-67.7113.3162.7-46.90000107.5L250 V254 I263L250-T252 PolarHBondContact O-N 3.28Å; T252-V254 HydrophobicContact CG2-CG2 3.7Å; T252-V254 PolarHBondContact O-N 3.39Å; T252-I263 VanDerWaalsContact CB-CD1 3.47Å; T252-I263 HydrophobicContact CG2-CD1 4.49Å; T252-I263 WeakPolarHBondContact OG1-CD1 3.38Å
253V34Very low54.4Low135 Ų13577.8 Ų77.882%0.81844%0.444SS*.  trans-65105.4164.1177.70000107P251P251-V253 PolarHBondContact O-N 2.75Å; P251-V253 VanDerWaalsContact O-N 3.17Å
254V31.5Very low52.2Low118 Ų11876.6 Ų76.672%0.71544%0.44SS*.  trans-111.8100.9166.7-166.60000107.9T252T252-V254 HydrophobicContact CG2-CG2 3.7Å; T252-V254 PolarHBondContact O-N 3.39Å
255G37.8Very low50.6Low51 Ų5176.8 Ų76.853%0.52644%0.443SS..SBendtrans85.2153164.400000116.9S257G255-S257 PolarHBondContact O-N 3.1Å
256H44.6Very low50Low214 Ų21478.7 Ų78.799%0.99145%0.453SS*.SBendtrans-69.938-167.9-70.891.1000116.7
257S37.8Very low49.9Very low85 Ų8579.6 Ų79.659%0.59446%0.46SS*.SBendtrans-120.1135.7171.169.80000110.7G255 V259G255-S257 PolarHBondContact O-N 3.1Å; S257-V259 PolarHBondContact O-N 3.11Å
258K42Very low50.2Low219 Ų21979.6 Ų79.695%0.95246%0.46SS*.SBendtrans-67.936.1-178.7-80.4-178.8171.4178.10113.9
259V36.2Very low51Low107 Ų10779.4 Ų79.465%0.64846%0.459SS*.  trans-103.9100169.6-175.10000107.5S257 V261S257-V259 PolarHBondContact O-N 3.11Å; V259-V261 HydrophobicContact CG1-CG2 4.13Å; V259-V261 PolarHBondContact O-N 3.38Å
260S39.9Very low52.8Low113 Ų11379.3 Ų79.379%0.7946%0.458SS*.  trans-67.693.5171.6-44.50000109V262S260-V262 PolarHBondContact O-N 3.15Å
261V36.5Very low55Low93 Ų9375.1 Ų75.156%0.56444%0.436SS*.  trans-79.5114.1168.2-176.40000107.2V259 I263V259-V261 HydrophobicContact CG1-CG2 4.13Å; V259-V261 PolarHBondContact O-N 3.38Å; V261-I263 PolarHBondContact O-N 3.01Å
262V38.8Very low57.7Low55 Ų5572.9 Ų72.933%0.33342%0.421SS..  trans-70.2111.2169.6177.90000106.9S260S260-V262 PolarHBondContact O-N 3.15Å
263I40.3Very low60.7Low67 Ų6769 Ų6934%0.34440%0.398SS..  trans-83.3122.1170.4-56.5-155.8000107.4T252 V261 L265T252-I263 VanDerWaalsContact CB-CD1 3.47Å; T252-I263 HydrophobicContact CG2-CD1 4.49Å; T252-I263 WeakPolarHBondContact OG1-CD1 3.38Å; V261-I263 PolarHBondContact O-N 3.01Å; I263-L265 PolarHBondContact O-N 2.85Å
264C44.1Very low63.8Low40 Ų4062.6 Ų62.627%0.2736%0.359SS..  trans-72.7115.4175.7-60.10000110.7N248 D266N248-C264 VanDerWaalsContact CG-CA 3.44Å; N248-C264 WeakPolarHBondContact ND2-CA 3.37Å; N248-C264 WeakPolarHBondContact ND2-CB 3.45Å; N248-C264 PolarHBondContact ND2-SG 2.76Å; N248-C264 WeakPolarHBondContact OD1-CA 3.29Å; N248-C264 WeakPolarHBondContact OD1-CB 3.46Å; C264-D266 PolarHBondContact O-N 3.26Å
265L56.6Low66.9Low69 Ų6958 Ų5836%0.36133%0.329SS..  trans-79.375.6155.7-59.9-172.6000109.1N248 I263N248-L265 WeakPolarHBondContact O-CB 3.23Å; N248-L265 PolarHBondContact O-N 2.92Å; N248-L265 WeakPolarHBondContact OD1-CA 3.49Å; N248-L265 PolarHBondContact OD1-N 3.43Å; N248-L265 PolarHBondContact OD1-O 3.2Å; N248-L265 VanDerWaalsContact OD1-O 3.1Å; I263-L265 PolarHBondContact O-N 2.85Å
266D80.4Confident69.7Low39 Ų3960.4 Ų60.421%0.20932%0.322CS..  trans-52.7162.1169.3-64.5-32.8000110N248 C264 K301N248-D266 PolarHBondContact OD1-N 2.61Å; C264-D266 PolarHBondContact O-N 3.26Å; D266-K301 WeakPolarHBondContact CA-O 3.3Å; D266-K301 HydrophobicContact CB-CB 4.11Å; D266-K301 WeakPolarHBondContact CB-O 3.25Å; D266-K301 VanDerWaalsContact CG-CB 3.47Å; D266-K301 VanDerWaalsContact OD1-CB 3.31Å; D266-K301 WeakPolarHBondContact OD1-CB 3.42Å; D266-K301 PolarHBondContact OD1-N 3.14Å
267N89.4Confident72.1Confident44 Ų4451.1 Ų51.124%0.23528%0.282CS..  trans79.419179.8-46.2-99000117.3K108 K301 D302K108-N267 HydrophobicContact CB-CB 3.89Å; K108-N267 HydrophobicContact CD-CB 4.09Å; K108-N267 HydrophobicContact CG-CB 4.04Å; K108-N267 PolarHBondContact NZ-OD1 2.94Å; N267-K301 PolarHBondContact N-O 3.29Å; N267-D302 WeakPolarHBondContact CA-O 3.12Å
268D94.6Very high74.7Confident0 Ų048.7 Ų48.70%026%0.263CS..  trans-62.5145170.6-87.3-21.5000111.7N109 R111 H113 N248 L303 H304N109-D268 PolarHBondContact ND2-OD1 2.89Å; R111-D268 WeakPolarHBondContact CB-OD1 3.39Å; R111-D268 WeakPolarHBondContact CD-OD1 3.4Å; R111-D268 IonicContact CZ-OD1 3.9Å; R111-D268 IonicContact NE-OD1 2.78Å; R111-D268 PolarHBondContact NE-OD1 3.39Å; R111-D268 IonicContact NE-OD2 3.17Å; R111-D268 IonicContact NH2-OD2 3.66Å; H113-D268 IonicContact CD2-OD2 2.72Å; H113-D268 VanDerWaalsContact NE2-CG 3.34Å; H113-D268 IonicContact NE2-OD1 3.25Å; H113-D268 IonicContact NE2-OD2 3.86Å; H113-D268 PolarHBondContact NE2-OD2 3.15Å; N248-D268 PolarHBondContact N-OD2 2.72Å; D268-L303 HydrophobicContact CB-CD2 3.85Å; D268-H304 PolarHBondContact O-N 2.96Å
269T97.1Very high77.3Confident0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-100.3132.7172.7-57.60000109.6A101 N104 A105 R111 I112 H113 H304A101-T269 HydrophobicContact CB-CG2 3.95Å; A101-T269 WeakPolarHBondContact O-CG2 3.31Å; N104-T269 PolarHBondContact ND2-OG1 3.38Å; A105-T269 WeakPolarHBondContact CA-OG1 3.34Å; A105-T269 HydrophobicContact CB-CG2 4.4Å; A105-T269 PolarHBondContact N-OG1 3.4Å; R111-T269 PolarHBondContact O-N 3.47Å; I112-T269 CarbonylContact C-O 3.3Å; I112-T269 VanDerWaalsContact CA-O 3.29Å; I112-T269 WeakPolarHBondContact CA-O 3.41Å; I112-T269 HydrophobicContact CD1-CG2 3.85Å; I112-T269 HydrophobicContact CG1-CG2 3.86Å; H113-T269 PolarHBondContact N-O 3.47Å; T269-H304 CarbonylContact C-O 3.46Å; T269-H304 WeakPolarHBondContact CA-O 3.36Å; T269-H304 HydrophobicContact CG2-CB 4.34Å
270M97.8Very high80.2Confident0 Ų034.2 Ų34.20%019%0.19CC..EExtended strand (participates in β ladder)trans-127137.5-176.7-63.4174.959.800110.8H113 L115 I247 L272 F287 L303 H304 I305 S306H113-M270 HydrophobicContact CB-CG 4.26Å; H113-M270 CarbonylContact O-C 3.39Å; H113-M270 WeakPolarHBondContact O-CA 3.48Å; L115-M270 HydrophobicContact CD1-CB 4.33Å; L115-M270 HydrophobicContact CD1-CE 3.75Å; L115-M270 HydrophobicContact CD1-CG 4.4Å; L115-M270 HydrophobicContact CD2-CE 3.66Å; L115-M270 HydrophobicContact CG-CE 4.39Å; I247-M270 HydrophobicContact CD1-CE 3.71Å; I247-M270 HydrophobicContact CD1-SD 4.2Å; I247-M270 HydrophobicContact CG2-SD 3.94Å; M270-L272 HydrophobicContact CE-CD2 4.4Å; M270-F287 HydrophobicContact CE-CB 4.36Å; M270-F287 HydrophobicContact CE-CD1 4.06Å; M270-F287 HydrophobicContact CE-CD2 3.93Å; M270-F287 HydrophobicContact CE-CE1 4.33Å; M270-F287 HydrophobicContact CE-CE2 4.21Å; M270-F287 HydrophobicContact CE-CG 3.86Å; M270-F287 HydrophobicContact CE-CZ 4.41Å; M270-F287 HydrophobicContact SD-CD1 4.23Å; M270-F287 HydrophobicContact SD-CG 4.43Å; M270-L303 HydrophobicContact SD-CD1 3.89Å; M270-L303 HydrophobicContact SD-CD2 3.97Å; M270-L303 HydrophobicContact SD-CG 4.41Å; M270-H304 PolarHBondContact N-O 3.13Å; M270-I305 HydrophobicContact CB-CG1 4.34Å; M270-I305 HydrophobicContact SD-CG1 4.36Å; M270-S306 PolarHBondContact O-N 3.18Å
271I98.6Very high82.9Confident0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-121.3115.3167.9-56.7179.5000107.8L98 A101 I112 H113 L114 L115 F273 S306 L320L98-I271 HydrophobicContact CD1-CD1 3.45Å; L98-I271 VanDerWaalsContact CD1-CD1 3.45Å; A101-I271 HydrophobicContact CB-CD1 4.26Å; A101-I271 HydrophobicContact CB-CG1 4.49Å; I112-I271 HydrophobicContact CD1-CD1 3.88Å; I112-I271 HydrophobicContact CD1-CG1 4.27Å; H113-I271 PolarHBondContact O-N 2.88Å; L114-I271 HydrophobicContact CD2-CB 3.78Å; L114-I271 HydrophobicContact CD2-CD1 4.19Å; L114-I271 HydrophobicContact CD2-CG1 4.37Å; L114-I271 HydrophobicContact CD2-CG2 4.32Å; L115-I271 PolarHBondContact N-O 3.27Å; I271-F273 HydrophobicContact CG2-CB 4.45Å; I271-S306 WeakPolarHBondContact CA-O 3.35Å; I271-L320 HydrophobicContact CG2-CD1 4.22Å; I271-L320 HydrophobicContact CG2-CD2 4.35Å
272L98.7Very high85.8Confident1 Ų130.2 Ų30.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-83.7112.3168.6-55.8-176.8000107L115 M270 M280 A284 I305 S306 C307 M308 Y311L115-L272 HydrophobicContact CB-CD2 3.72Å; L115-L272 HydrophobicContact CD1-CD2 4.3Å; L115-L272 HydrophobicContact CD2-CD2 3.96Å; L115-L272 HydrophobicContact CG-CD2 4.21Å; L115-L272 CarbonylContact O-C 3.58Å; L115-L272 WeakPolarHBondContact O-CA 3.23Å; M270-L272 HydrophobicContact CE-CD2 4.4Å; L272-M280 HydrophobicContact CB-CE 3.77Å; L272-M280 HydrophobicContact CD1-CE 4.25Å; L272-M280 HydrophobicContact CD2-CE 3.87Å; L272-M280 HydrophobicContact CG-CE 4.16Å; L272-A284 HydrophobicContact CD1-CB 3.44Å; L272-A284 VanDerWaalsContact CD1-CB 3.44Å; L272-I305 HydrophobicContact CD1-CG2 4.26Å; L272-I305 HydrophobicContact CG-CG2 4.39Å; L272-S306 PolarHBondContact N-O 2.85Å; L272-C307 CarbonylContact O-C 3.51Å; L272-M308 PolarHBondContact O-N 3.25Å; L272-Y311 HydrophobicContact CB-CE2 3.78Å; L272-Y311 WeakPolarHBondContact CB-OH 3.44Å; L272-Y311 HydrophobicContact CD1-CE2 3.9Å; L272-Y311 PolarHBondContact O-OH 2.91Å
273F98.6Very high88.6Confident0 Ų027.6 Ų27.60%013%0.132CC..  trans-103.11.1-163.969-102.9000116L114 L115 G116 L117 V118 M130 L133 I271 Y275 M308L114-F273 HydrophobicContact CB-CD1 3.92Å; L114-F273 HydrophobicContact CB-CE1 4.03Å; L115-F273 WeakPolarHBondContact O-CD1 3.27Å; L115-F273 PolarHBondContact O-N 3.2Å; G116-F273 VanDerWaalsContact C-CZ 3.45Å; G116-F273 WeakPolarHBondContact O-CZ 3.39Å; L117-F273 VanDerWaalsContact O-CE2 3.27Å; L117-F273 WeakPolarHBondContact O-CE2 3.42Å; V118-F273 HydrophobicContact CG2-CZ 3.89Å; M130-F273 HydrophobicContact CB-CE2 4.07Å; M130-F273 HydrophobicContact CB-CZ 4.06Å; M130-F273 HydrophobicContact CG-CE1 4.17Å; M130-F273 HydrophobicContact CG-CZ 4.03Å; L133-F273 HydrophobicContact CD1-CB 3.47Å; L133-F273 VanDerWaalsContact CD1-CB 3.47Å; L133-F273 HydrophobicContact CD1-CG 4.13Å; I271-F273 HydrophobicContact CG2-CB 4.45Å; F273-Y275 PolarHBondContact O-N 2.98Å; F273-M308 HydrophobicContact CB-CE 4.14Å; F273-M308 WeakPolarHBondContact O-CB 3.49Å; F273-M308 WeakPolarHBondContact O-CE 3.02Å; F273-M308 WeakPolarHBondContact O-CG 3.28Å
274D98.6Very high91.3Very high0 Ų024.4 Ų24.40%012%0.116CC..  trans-69.1128171.8-65.222.1000110G116 L117 H124 M190 M280 M308 Y311G116-D274 WeakPolarHBondContact CA-OD1 3.47Å; L117-D274 PolarHBondContact N-OD1 2.91Å; H124-D274 CarbonylContact O-C 3.13Å; H124-D274 VanDerWaalsContact O-CA 3.24Å; H124-D274 WeakPolarHBondContact O-CA 3.14Å; H124-D274 VanDerWaalsContact O-CB 3.31Å; H124-D274 WeakPolarHBondContact O-CB 3.44Å; M190-D274 WeakPolarHBondContact CE-OD2 3.4Å; D274-M280 HydrophobicContact CB-CG 3.6Å; D274-M280 HydrophobicContact CB-SD 4.38Å; D274-M308 WeakPolarHBondContact O-CB 3.32Å; D274-Y311 WeakPolarHBondContact O-CE1 3.28Å; D274-Y311 PolarHBondContact O-OH 3.18Å
275Y97.5Very high93.8Very high21 Ų2125 Ų258%0.08212%0.115CC..SBendtrans-80.2-20.4175.457.6-99.8000112.7D79 I80 I83 G122 V123 H124 H129 F273 A277 T309D79-Y275 HydrophobicContact CB-CD2 4.36Å; D79-Y275 HydrophobicContact CB-CG 4.4Å; I80-Y275 HydrophobicContact CB-CE1 4.01Å; I80-Y275 HydrophobicContact CB-CE2 4.08Å; I80-Y275 HydrophobicContact CD1-CE1 4.36Å; I80-Y275 WeakPolarHBondContact CD1-OH 3.24Å; I80-Y275 HydrophobicContact CG1-CE1 3.94Å; I83-Y275 VanDerWaalsContact CD1-CB 3.44Å; I83-Y275 HydrophobicContact CD1-CD1 3.88Å; I83-Y275 HydrophobicContact CD1-CG 3.96Å; G122-Y275 PolarHBondContact O-OH 3.3Å; V123-Y275 PolarHBondContact N-OH 2.92Å; H124-Y275 PolarHBondContact O-N 3.39Å; H129-Y275 AromaticContact CE1-CD1 3.6Å; H129-Y275 AromaticContact CE1-CE1 3.52Å; H129-Y275 AromaticContact ND1-CD1 3.7Å; H129-Y275 AromaticContact ND1-CE1 3.85Å; F273-Y275 PolarHBondContact O-N 2.98Å; Y275-A277 PolarHBondContact O-N 2.72Å; Y275-T309 PolarHBondContact O-OG1 3.43Å
276R95.5Very high95.7Very high102 Ų10221.7 Ų21.739%0.38510%0.098SC..  trans-84.8115.1176.2-168.8178.5160.515313.6110.4V123 H124 D278V123-R276 WeakPolarHBondContact O-CB 2.89Å; V123-R276 VanDerWaalsContact O-CD 3.24Å; V123-R276 WeakPolarHBondContact O-CD 3.5Å; H124-R276 HydrophobicContact CB-CB 4.28Å; H124-R276 VanDerWaalsContact CE1-CD 3.42Å; H124-R276 WeakPolarHBondContact CE1-CD 3.3Å; H124-R276 PolarHBondContact O-N 2.88Å; H124-R276 VanDerWaalsContact O-N 3.15Å; R276-D278 WeakPolarHBondContact CG-OD1 3.09Å; R276-D278 IonicContact CZ-OD1 2.93Å; R276-D278 IonicContact NE-OD1 3.64Å; R276-D278 PolarHBondContact NE-OD1 3.15Å; R276-D278 IonicContact NE-OD2 3.59Å; R276-D278 IonicContact NH2-OD2 2.86Å; R276-D278 PolarHBondContact O-N 2.78Å
277A94.1Very high96.4Very high19 Ų1920.1 Ų20.116%0.1579%0.089CC..  trans-61.9-45-169.700000116.2Y275 R279 M280 R281 Y311Y275-A277 PolarHBondContact O-N 2.72Å; A277-R279 VanDerWaalsContact C-N 3.32Å; A277-R279 PolarHBondContact O-N 2.96Å; A277-R279 VanDerWaalsContact O-N 3.15Å; A277-M280 PolarHBondContact O-N 2.76Å; A277-M280 VanDerWaalsContact O-N 3.17Å; A277-R281 WeakPolarHBondContact O-CG 3.44Å; A277-R281 PolarHBondContact O-N 2.99Å; A277-Y311 HydrophobicContact CB-CD1 4.03Å
278D93.7Very high96.6Very high33 Ų3319.5 Ų19.518%0.1769%0.093CC..THydrogen-bonded Turntrans-58.2-39.6-156.465.2-44.9000114.1H124 R192 R276H124-D278 IonicContact CE1-OD1 2.69Å; H124-D278 PolarHBondContact CE1-OD1 3.35Å; H124-D278 IonicContact ND1-OD1 2.91Å; R192-D278 WeakPolarHBondContact CD-OD2 3.19Å; R192-D278 IonicContact CZ-OD2 3.22Å; R192-D278 IonicContact NE-OD2 3.5Å; R192-D278 IonicContact NH1-OD2 2.76Å; R192-D278 PolarHBondContact NH1-OD2 2.96Å; R276-D278 WeakPolarHBondContact CG-OD1 3.09Å; R276-D278 IonicContact CZ-OD1 2.93Å; R276-D278 IonicContact NE-OD1 3.64Å; R276-D278 PolarHBondContact NE-OD1 3.15Å; R276-D278 IonicContact NE-OD2 3.59Å; R276-D278 IonicContact NH2-OD2 2.86Å; R276-D278 PolarHBondContact O-N 2.78Å
279R96.9Very high96.6Very high22 Ų2223.7 Ų23.78%0.08312%0.115CC..THydrogen-bonded Turntrans-88.6-16.4-176.6-70.8-169.1178.8-81.2-2.2115.6H124 M190 R192 A277H124-R279 WeakPolarHBondContact CE1-CD 3.33Å; M190-R279 WeakPolarHBondContact CA-O 3.42Å; M190-R279 HydrophobicContact CB-CB 4Å; M190-R279 HydrophobicContact CE-CB 3.9Å; M190-R279 WeakPolarHBondContact O-CB 3.5Å; M190-R279 WeakPolarHBondContact O-CD 3.24Å; M190-R279 PolarHBondContact O-NH1 3.42Å; R192-R279 HydrophobicContact CB-CG 4.22Å; R192-R279 HydrophobicContact CG-CG 4.31Å; A277-R279 VanDerWaalsContact C-N 3.32Å; A277-R279 PolarHBondContact O-N 2.96Å; A277-R279 VanDerWaalsContact O-N 3.15Å
280M97.1Very high96.5Very high0 Ų029.7 Ų29.70%014%0.141CC..THydrogen-bonded Turntrans-87.8-15.4176.6-71.8-56.2-78.200113.1F150 M190 L272 D274 A277 Q282 L283 A284 Y311F150-M280 HydrophobicContact CD2-SD 4.44Å; F150-M280 HydrophobicContact CE2-CE 3.97Å; F150-M280 HydrophobicContact CE2-SD 4.07Å; M190-M280 HydrophobicContact CG-SD 4.03Å; L272-M280 HydrophobicContact CB-CE 3.77Å; L272-M280 HydrophobicContact CD1-CE 4.25Å; L272-M280 HydrophobicContact CD2-CE 3.87Å; L272-M280 HydrophobicContact CG-CE 4.16Å; D274-M280 HydrophobicContact CB-CG 3.6Å; D274-M280 HydrophobicContact CB-SD 4.38Å; A277-M280 PolarHBondContact O-N 2.76Å; A277-M280 VanDerWaalsContact O-N 3.17Å; M280-Q282 PolarHBondContact O-N 3.17Å; M280-L283 HydrophobicContact CE-CD2 4.23Å; M280-L283 PolarHBondContact O-N 3.27Å; M280-A284 WeakPolarHBondContact O-CB 3.42Å; M280-A284 PolarHBondContact O-N 2.76Å; M280-Y311 HydrophobicContact CB-CD2 3.72Å; M280-Y311 HydrophobicContact CB-CE1 4.35Å; M280-Y311 HydrophobicContact CB-CE2 3.41Å; M280-Y311 VanDerWaalsContact CB-CE2 3.41Å; M280-Y311 HydrophobicContact CB-CG 4.32Å; M280-Y311 HydrophobicContact CG-CE2 4.17Å
281R96.8Very high96.3Very high112 Ų11233.1 Ų33.142%0.42315%0.154SC..Hα-helixtrans-51.6-51.5-177-76170.1-175.1175.2-0.6113.1A277 L283 A284 E285 Y311 F315A277-R281 WeakPolarHBondContact O-CG 3.44Å; A277-R281 PolarHBondContact O-N 2.99Å; R281-L283 VanDerWaalsContact C-N 3.35Å; R281-L283 PolarHBondContact O-N 2.74Å; R281-A284 PolarHBondContact O-N 3.49Å; R281-E285 WeakPolarHBondContact O-CB 3.37Å; R281-E285 PolarHBondContact O-N 2.93Å; R281-Y311 PolarHBondContact NE-O 3.45Å; R281-Y311 PolarHBondContact NH2-O 3.46Å; R281-Y311 VanDerWaalsContact NH2-O 3.16Å; R281-F315 HydrophobicContact CB-CE2 4.43Å; R281-F315 HydrophobicContact CG-CE2 4.47Å
282Q97.3Very high96.1Very high11 Ų1135.4 Ų35.45%0.05117%0.166CC..Hα-helixtrans-63.8-40.1-177-78.1176.9-15300112.3D191 R192 K194 W196 N199 M280 T286D191-Q282 VanDerWaalsContact O-CD 3.26Å; D191-Q282 PolarHBondContact O-NE2 3.09Å; D191-Q282 PolarHBondContact OD2-NE2 2.86Å; R192-Q282 PolarHBondContact O-OE1 3.36Å; K194-Q282 VanDerWaalsContact CA-OE1 3.3Å; W196-Q282 HydrophobicContact CH2-CB 4.08Å; W196-Q282 HydrophobicContact CH2-CG 3.71Å; W196-Q282 HydrophobicContact CZ2-CG 4.34Å; W196-Q282 HydrophobicContact CZ3-CB 3.81Å; W196-Q282 HydrophobicContact CZ3-CG 3.89Å; N199-Q282 PolarHBondContact OD1-NE2 3.33Å; M280-Q282 PolarHBondContact O-N 3.17Å; Q282-T286 VanDerWaalsContact O-CB 3.31Å; Q282-T286 WeakPolarHBondContact O-CB 3.4Å; Q282-T286 PolarHBondContact O-N 3.45Å; Q282-T286 PolarHBondContact O-OG1 3.29Å
283L96.9Very high96Very high0 Ų036.5 Ų36.50%017%0.171CC..Hα-helixtrans-70.8-43.3178.8-16569.8000111.2L115 F150 M280 R281 E285 T286 F287L115-L283 HydrophobicContact CD2-CD2 4.41Å; F150-L283 HydrophobicContact CE2-CD2 3.67Å; F150-L283 HydrophobicContact CZ-CD2 3.51Å; M280-L283 HydrophobicContact CE-CD2 4.23Å; M280-L283 PolarHBondContact O-N 3.27Å; R281-L283 VanDerWaalsContact C-N 3.35Å; R281-L283 PolarHBondContact O-N 2.74Å; L283-E285 PolarHBondContact O-N 3.15Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 3.25Å; L283-F287 HydrophobicContact CD1-CD2 4.2Å; L283-F287 HydrophobicContact CD1-CE2 3.77Å; L283-F287 HydrophobicContact CG-CD2 4.06Å; L283-F287 HydrophobicContact CG-CE2 3.98Å; L283-F287 WeakPolarHBondContact O-CD2 3.37Å; L283-F287 PolarHBondContact O-N 2.77Å; L283-F287 VanDerWaalsContact O-N 3.1Å
284A97.1Very high95.8Very high0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-60-45.3175.200000111.9L272 M280 R281 F287 G288 Y311 F315 F317L272-A284 HydrophobicContact CD1-CB 3.44Å; L272-A284 VanDerWaalsContact CD1-CB 3.44Å; M280-A284 WeakPolarHBondContact O-CB 3.42Å; M280-A284 PolarHBondContact O-N 2.76Å; R281-A284 PolarHBondContact O-N 3.49Å; A284-F287 PolarHBondContact O-N 2.57Å; A284-G288 PolarHBondContact O-N 3.17Å; A284-Y311 HydrophobicContact CB-CD2 3.98Å; A284-Y311 HydrophobicContact CB-CE2 4.47Å; A284-F315 HydrophobicContact CB-CD2 4.37Å; A284-F315 HydrophobicContact CB-CE2 4.05Å; A284-F317 HydrophobicContact CB-CD2 4.48Å; A284-F317 HydrophobicContact CB-CE2 3.96Å
285E96.7Very high95.6Very high52 Ų5246.6 Ų46.624%0.24322%0.22CC..Hα-helixtrans-60.8-45.3174.7-171.8-175.6155.900111.2R281 L283 F287 G288 L289 K290 N292 F315R281-E285 WeakPolarHBondContact O-CB 3.37Å; R281-E285 PolarHBondContact O-N 2.93Å; L283-E285 PolarHBondContact O-N 3.15Å; E285-F287 VanDerWaalsContact C-N 3.32Å; E285-F287 PolarHBondContact O-N 3.2Å; E285-G288 PolarHBondContact O-N 3.26Å; E285-L289 HydrophobicContact CG-CB 4.15Å; E285-L289 HydrophobicContact CG-CD1 4.43Å; E285-L289 PolarHBondContact O-N 3.12Å; E285-K290 CarbonylContact C-O 3.55Å; E285-K290 CarbonylContact O-C 3.56Å; E285-K290 PolarHBondContact O-N 3.05Å; E285-N292 PolarHBondContact OE1-ND2 3.15Å; E285-F315 HydrophobicContact CB-CZ 3.95Å
286T96.3Very high95.2Very high0 Ų055.7 Ų55.70%026%0.26CS..Hα-helixtrans-55.8-46.1179.7-66.80000111.6Y203 Q282 L283 K290 R291 F293 H299Y203-T286 HydrophobicContact CD2-CG2 3.53Å; Y203-T286 HydrophobicContact CE2-CG2 3.92Å; Y203-T286 HydrophobicContact CG-CG2 4.33Å; Q282-T286 VanDerWaalsContact O-CB 3.31Å; Q282-T286 WeakPolarHBondContact O-CB 3.4Å; Q282-T286 PolarHBondContact O-N 3.45Å; Q282-T286 PolarHBondContact O-OG1 3.29Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 3.25Å; T286-K290 WeakPolarHBondContact CA-O 3.4Å; T286-R291 HydrophobicContact CG2-CG 4.21Å; T286-F293 HydrophobicContact CG2-CE1 3.66Å; T286-F293 HydrophobicContact CG2-CZ 3.68Å; T286-H299 PolarHBondContact O-CE1 3.17Å
287F95.4Very high94.9Very high5 Ų551.5 Ų51.52%0.02225%0.245CC..Hα-helixtrans-78.9-41.5-177.9-80.7-73.3000113.5L115 Y203 L206 V207 I247 M270 L283 A284 E285 H299 L303 I305L115-F287 HydrophobicContact CD2-CE2 4.47Å; Y203-F287 HydrophobicContact CD2-CD1 4.43Å; Y203-F287 AromaticContact CD2-CE1 3.84Å; Y203-F287 HydrophobicContact CD2-CE1 3.84Å; Y203-F287 HydrophobicContact CD2-CE2 4.22Å; Y203-F287 AromaticContact CD2-CZ 3.71Å; Y203-F287 HydrophobicContact CD2-CZ 3.71Å; Y203-F287 HydrophobicContact CE2-CD1 4.13Å; Y203-F287 AromaticContact CE2-CE1 3.76Å; Y203-F287 HydrophobicContact CE2-CE1 3.76Å; Y203-F287 HydrophobicContact CE2-CZ 4.13Å; L206-F287 HydrophobicContact CB-CZ 4.37Å; L206-F287 HydrophobicContact CD1-CE2 4.19Å; L206-F287 HydrophobicContact CD1-CZ 4.19Å; V207-F287 HydrophobicContact CG2-CE1 3.64Å; V207-F287 HydrophobicContact CG2-CZ 4.02Å; I247-F287 HydrophobicContact CD1-CE1 3.87Å; I247-F287 HydrophobicContact CD1-CE2 4.44Å; I247-F287 HydrophobicContact CD1-CZ 3.69Å; I247-F287 HydrophobicContact CG2-CE1 4.32Å; M270-F287 HydrophobicContact CE-CB 4.36Å; M270-F287 HydrophobicContact CE-CD1 4.06Å; M270-F287 HydrophobicContact CE-CD2 3.93Å; M270-F287 HydrophobicContact CE-CE1 4.33Å; M270-F287 HydrophobicContact CE-CE2 4.21Å; M270-F287 HydrophobicContact CE-CG 3.86Å; M270-F287 HydrophobicContact CE-CZ 4.41Å; M270-F287 HydrophobicContact SD-CD1 4.23Å; M270-F287 HydrophobicContact SD-CG 4.43Å; L283-F287 HydrophobicContact CD1-CD2 4.2Å; L283-F287 HydrophobicContact CD1-CE2 3.77Å; L283-F287 HydrophobicContact CG-CD2 4.06Å; L283-F287 HydrophobicContact CG-CE2 3.98Å; L283-F287 WeakPolarHBondContact O-CD2 3.37Å; L283-F287 PolarHBondContact O-N 2.77Å; L283-F287 VanDerWaalsContact O-N 3.1Å; A284-F287 PolarHBondContact O-N 2.57Å; E285-F287 VanDerWaalsContact C-N 3.32Å; E285-F287 PolarHBondContact O-N 3.2Å; F287-H299 PolarHBondContact O-CE1 3.2Å; F287-H299 PolarHBondContact O-NE2 3.27Å; F287-L303 HydrophobicContact CB-CD1 4.25Å; F287-L303 HydrophobicContact CD1-CD1 3.85Å; F287-I305 HydrophobicContact CB-CD1 3.73Å
288G94.1Very high94.6Very high31 Ų3153.4 Ų53.432%0.3226%0.257SS..Hα-helixtrans-107.4-13.3-16600000116.9A284 E285A284-G288 PolarHBondContact O-N 3.17Å; E285-G288 PolarHBondContact O-N 3.26Å
289L94.6Very high94.5Very high88 Ų8855.1 Ų55.146%0.46126%0.263SS..THydrogen-bonded Turntrans-129-63.8-175.6-64.2176.3000112.1E285 F315 P316 F317E285-L289 HydrophobicContact CG-CB 4.15Å; E285-L289 HydrophobicContact CG-CD1 4.43Å; E285-L289 PolarHBondContact O-N 3.12Å; L289-F315 HydrophobicContact CD1-CD1 3.37Å; L289-F315 HydrophobicContact CD1-CE1 3.53Å; L289-F315 HydrophobicContact CD1-CG 4.12Å; L289-F315 HydrophobicContact CD1-CZ 4.39Å; L289-P316 HydrophobicContact CD2-CG 4.01Å; L289-F317 HydrophobicContact CD1-CZ 4.4Å; L289-F317 HydrophobicContact CD2-CZ 4.46Å; L289-F317 HydrophobicContact CG-CZ 3.92Å
290K94Very high94.2Very high127 Ų12754.2 Ų54.255%0.55226%0.26SS*.  trans-155.1128-173.5-175.8-177.5174.3-165.40110.9E285 T286 N292E285-K290 CarbonylContact C-O 3.55Å; E285-K290 CarbonylContact O-C 3.56Å; E285-K290 PolarHBondContact O-N 3.05Å; T286-K290 WeakPolarHBondContact CA-O 3.4Å; K290-N292 WeakPolarHBondContact CD-OD1 3.44Å; K290-N292 VanDerWaalsContact CE-OD1 3.29Å; K290-N292 WeakPolarHBondContact CE-OD1 3.35Å; K290-N292 PolarHBondContact NZ-OD1 3.17Å
291R93.4Very high93.8Very high71 Ų7160.4 Ų60.427%0.26829%0.287SS..  trans-82.1117.5168-169169.470.3-171.67.2109.7Y203 T286 F293 V297Y203-R291 PolarHBondContact OH-NH1 3.07Å; T286-R291 HydrophobicContact CG2-CG 4.21Å; R291-F293 VanDerWaalsContact C-N 3.35Å; R291-F293 HydrophobicContact CG-CD1 4.09Å; R291-F293 HydrophobicContact CG-CD2 3.94Å; R291-F293 HydrophobicContact CG-CE1 3.84Å; R291-F293 HydrophobicContact CG-CE2 3.67Å; R291-F293 HydrophobicContact CG-CG 4.14Å; R291-F293 HydrophobicContact CG-CZ 3.61Å; R291-V297 PolarHBondContact NH1-O 3.14Å
292N95.9Very high93.5Very high48 Ų4860.6 Ų60.626%0.25730%0.296SS..  trans-96.222.9-177.3-68.9-63.1000113.5W196 E285 K290W196-N292 HydrophobicContact CD2-CB 3.53Å; W196-N292 HydrophobicContact CE3-CB 3.85Å; W196-N292 HydrophobicContact CG-CB 4.04Å; W196-N292 HydrophobicContact CH2-CB 3.94Å; W196-N292 WeakPolarHBondContact CH2-ND2 3.42Å; W196-N292 HydrophobicContact CZ2-CB 3.63Å; W196-N292 VanDerWaalsContact CZ2-ND2 3.29Å; W196-N292 WeakPolarHBondContact CZ2-ND2 3.35Å; W196-N292 HydrophobicContact CZ3-CB 4.04Å; E285-N292 PolarHBondContact OE1-ND2 3.15Å; K290-N292 WeakPolarHBondContact CD-OD1 3.44Å; K290-N292 VanDerWaalsContact CE-OD1 3.29Å; K290-N292 WeakPolarHBondContact CE-OD1 3.35Å; K290-N292 PolarHBondContact NZ-OD1 3.17Å
293F96.3Very high93.3Very high25 Ų2561.5 Ų61.511%0.1130%0.302CS..SBendtrans-144.1160.5174.954.2-94.6000110.7W196 N199 M200 Y203 T286 R291 T295W196-F293 HydrophobicContact CB-CB 4.07Å; W196-F293 HydrophobicContact CB-CD1 4.09Å; W196-F293 HydrophobicContact CE3-CD1 4.25Å; N199-F293 HydrophobicContact CB-CE1 4.13Å; M200-F293 HydrophobicContact CB-CD1 4.35Å; M200-F293 HydrophobicContact CB-CD2 3.57Å; M200-F293 HydrophobicContact CB-CE2 3.75Å; M200-F293 HydrophobicContact CB-CG 3.89Å; M200-F293 HydrophobicContact CB-CZ 4.23Å; M200-F293 HydrophobicContact CG-CD2 3.55Å; M200-F293 HydrophobicContact CG-CE2 3.75Å; M200-F293 HydrophobicContact CG-CG 4.31Å; M200-F293 HydrophobicContact SD-CD2 4.17Å; Y203-F293 AromaticContact CD1-CE2 3.93Å; Y203-F293 HydrophobicContact CD1-CE2 3.93Å; Y203-F293 HydrophobicContact CD1-CZ 4.01Å; Y203-F293 HydrophobicContact CD2-CZ 4.16Å; Y203-F293 HydrophobicContact CG-CE2 4.11Å; Y203-F293 AromaticContact CG-CZ 3.69Å; Y203-F293 HydrophobicContact CG-CZ 3.69Å; T286-F293 HydrophobicContact CG2-CE1 3.66Å; T286-F293 HydrophobicContact CG2-CZ 3.68Å; R291-F293 VanDerWaalsContact C-N 3.35Å; R291-F293 HydrophobicContact CG-CD1 4.09Å; R291-F293 HydrophobicContact CG-CD2 3.94Å; R291-F293 HydrophobicContact CG-CE1 3.84Å; R291-F293 HydrophobicContact CG-CE2 3.67Å; R291-F293 HydrophobicContact CG-CG 4.14Å; R291-F293 HydrophobicContact CG-CZ 3.61Å; F293-T295 HydrophobicContact CD2-CG2 4.2Å; F293-T295 HydrophobicContact CE2-CG2 3.92Å
294E94.6Very high93.2Very high184 Ų18463.8 Ų63.886%0.8631%0.312SS*.  trans-96.5133.7177.6-64.9-173.7176.500111.2M200M200-E294 VanDerWaalsContact SD-O 3.34Å
295T92.6Very high93.3Very high27 Ų2764.2 Ų64.217%0.16631%0.314CS..  trans-151.2153.5173.1172.70000109.5Y203 E204 F293 V297Y203-T295 HydrophobicContact CD1-CG2 4.28Å; Y203-T295 HydrophobicContact CE1-CG2 4Å; E204-T295 WeakPolarHBondContact OE1-CB 3.43Å; E204-T295 PolarHBondContact OE1-OG1 3.41Å; F293-T295 HydrophobicContact CD2-CG2 4.2Å; F293-T295 HydrophobicContact CE2-CG2 3.92Å; T295-V297 HydrophobicContact CG2-CB 4.14Å; T295-V297 PolarHBondContact O-N 3.14Å; T295-V297 PolarHBondContact OG1-N 3.01Å; T295-V297 VanDerWaalsContact OG1-N 3.1Å
296K90Very high93.3Very high212 Ų21261.8 Ų61.892%0.92230%0.303SS*.SBendtrans-73.7-12.3172.4-65.3-178.6-179.6177.60112.8P298K296-P298 WeakPolarHBondContact O-CD 3.09Å
297V89.4Confident93.4Very high14 Ų1461.9 Ų61.99%0.08530%0.304CS..SBendtrans-70.5119.8178.2177.90000109.6Y203 E204 V207 A208 R291 T295Y203-V297 HydrophobicContact CE1-CB 4.23Å; Y203-V297 HydrophobicContact CE1-CG1 3.99Å; E204-V297 HydrophobicContact CB-CG2 4.35Å; E204-V297 HydrophobicContact CG-CG2 3.89Å; V207-V297 HydrophobicContact CB-CG1 3.92Å; V207-V297 HydrophobicContact CG1-CG1 3.49Å; V207-V297 VanDerWaalsContact CG1-CG1 3.49Å; A208-V297 HydrophobicContact CB-CB 4.34Å; A208-V297 HydrophobicContact CB-CG1 3.82Å; A208-V297 HydrophobicContact CB-CG2 3.52Å; R291-V297 PolarHBondContact NH1-O 3.14Å; T295-V297 HydrophobicContact CG2-CB 4.14Å; T295-V297 PolarHBondContact O-N 3.14Å; T295-V297 PolarHBondContact OG1-N 3.01Å; T295-V297 VanDerWaalsContact OG1-N 3.1Å
298P88.3Confident93.6Very high60 Ų6061.6 Ų61.639%0.3930%0.302SS..PPolyproline II helixtrans-59.9141.7175.5-22.834.3000111.3K296K296-P298 WeakPolarHBondContact O-CD 3.09Å
299H89.9Confident93.8Very high68 Ų6860.3 Ų60.332%0.31529%0.288SS..PPolyproline II helixtrans-74.2130.4175.7-161.674.8000110.5Y203 T286 F287Y203-H299 AromaticContact CE2-ND1 3.85Å; Y203-H299 AromaticContact CZ-ND1 3.72Å; Y203-H299 WeakPolarHBondContact OH-CA 3.22Å; Y203-H299 PolarHBondContact OH-ND1 3.27Å; T286-H299 PolarHBondContact O-CE1 3.17Å; F287-H299 PolarHBondContact O-CE1 3.2Å; F287-H299 PolarHBondContact O-NE2 3.27Å
300P90.6Very high93.9Very high3 Ų359.4 Ų59.42%0.01928%0.282CS..PPolyproline II helixtrans-61.4139.8173.3-18.430.8000110.7V207 I247 N248 L303V207-P300 HydrophobicContact CG1-CG 3.98Å; V207-P300 HydrophobicContact CG2-CG 4.14Å; I247-P300 HydrophobicContact CG2-CG 4.16Å; N248-P300 HydrophobicContact CB-CB 3.92Å; N248-P300 HydrophobicContact CB-CG 3.9Å; P300-L303 HydrophobicContact CB-CD1 3.97Å; P300-L303 HydrophobicContact CB-CD2 3.9Å; P300-L303 HydrophobicContact CB-CG 3.98Å; P300-L303 HydrophobicContact CG-CD1 4.37Å
301K89.8Confident94.1Very high130 Ų13053.5 Ų53.557%0.56526%0.256SS*.SBendtrans-101.5159.5179-49.2174.5-175.31660111.7D266 N267 L303D266-K301 WeakPolarHBondContact CA-O 3.3Å; D266-K301 HydrophobicContact CB-CB 4.11Å; D266-K301 WeakPolarHBondContact CB-O 3.25Å; D266-K301 VanDerWaalsContact CG-CB 3.47Å; D266-K301 VanDerWaalsContact OD1-CB 3.31Å; D266-K301 WeakPolarHBondContact OD1-CB 3.42Å; D266-K301 PolarHBondContact OD1-N 3.14Å; N267-K301 PolarHBondContact N-O 3.29Å; K301-L303 PolarHBondContact O-N 3.31Å; K301-L303 VanDerWaalsContact O-N 3.15Å
302D89.7Confident94.2Very high116 Ų11652.7 Ų52.762%0.6226%0.257SS*.SBendtrans54.434.2174.1-55.3-39.6000114.1N267 H304N267-D302 WeakPolarHBondContact CA-O 3.12Å; D302-H304 PolarHBondContact O-N 3.19Å
303L94Very high94.1Very high31 Ų3158 Ų5816%0.16228%0.278CS..  trans-64.8128.5176.5-68.2176.6000110.8I247 D268 M270 F287 P300 K301 I305I247-L303 HydrophobicContact CG2-CD2 4.13Å; D268-L303 HydrophobicContact CB-CD2 3.85Å; M270-L303 HydrophobicContact SD-CD1 3.89Å; M270-L303 HydrophobicContact SD-CD2 3.97Å; M270-L303 HydrophobicContact SD-CG 4.41Å; F287-L303 HydrophobicContact CB-CD1 4.25Å; F287-L303 HydrophobicContact CD1-CD1 3.85Å; P300-L303 HydrophobicContact CB-CD1 3.97Å; P300-L303 HydrophobicContact CB-CD2 3.9Å; P300-L303 HydrophobicContact CB-CG 3.98Å; P300-L303 HydrophobicContact CG-CD1 4.37Å; K301-L303 PolarHBondContact O-N 3.31Å; K301-L303 VanDerWaalsContact O-N 3.15Å; L303-I305 HydrophobicContact CB-CD1 4.15Å; L303-I305 HydrophobicContact CB-CG1 4.01Å; L303-I305 HydrophobicContact CD1-CD1 4.41Å
304H95.4Very high94.1Very high48 Ų4863.3 Ų63.322%0.22231%0.307CS..EExtended strand (participates in β ladder)trans-91.4106.9166.8-176.191.9000109.1N104 D268 T269 M270 D302 S306N104-H304 WeakPolarHBondContact ND2-CB 3.43Å; D268-H304 PolarHBondContact O-N 2.96Å; T269-H304 CarbonylContact C-O 3.46Å; T269-H304 WeakPolarHBondContact CA-O 3.36Å; T269-H304 HydrophobicContact CG2-CB 4.34Å; M270-H304 PolarHBondContact N-O 3.13Å; D302-H304 PolarHBondContact O-N 3.19Å; H304-S306 PolarHBondContact NE2-OG 3.34Å
305I97.6Very high94.1Very high9 Ų955.9 Ų55.95%0.04627%0.272CS..EExtended strand (participates in β ladder)trans-109.9121.8-176.2-58.8166.9000109.2M270 L272 F287 L303 F317 P318M270-I305 HydrophobicContact CB-CG1 4.34Å; M270-I305 HydrophobicContact SD-CG1 4.36Å; L272-I305 HydrophobicContact CD1-CG2 4.26Å; L272-I305 HydrophobicContact CG-CG2 4.39Å; F287-I305 HydrophobicContact CB-CD1 3.73Å; L303-I305 HydrophobicContact CB-CD1 4.15Å; L303-I305 HydrophobicContact CB-CG1 4.01Å; L303-I305 HydrophobicContact CD1-CD1 4.41Å; I305-F317 HydrophobicContact CB-CD1 4.05Å; I305-F317 HydrophobicContact CB-CE1 4.29Å; I305-F317 HydrophobicContact CB-CG 4.48Å; I305-F317 HydrophobicContact CD1-CE1 4.32Å; I305-F317 HydrophobicContact CG2-CD1 4.21Å; I305-F317 HydrophobicContact CG2-CD2 4.41Å; I305-F317 HydrophobicContact CG2-CE1 4.47Å; I305-F317 HydrophobicContact CG2-CG 4.19Å; I305-P318 WeakPolarHBondContact O-CD 3.42Å
306S98.4Very high94.3Very high0 Ų059.2 Ų59.20%029%0.294CS..EExtended strand (participates in β ladder)trans-115150.2168-620000110.4M270 I271 L272 H304 P318M270-S306 PolarHBondContact O-N 3.18Å; I271-S306 WeakPolarHBondContact CA-O 3.35Å; L272-S306 PolarHBondContact N-O 2.85Å; H304-S306 PolarHBondContact NE2-OG 3.34Å; S306-P318 CarbonylContact C-O 3.34Å; S306-P318 VanDerWaalsContact CA-O 3.29Å; S306-P318 WeakPolarHBondContact CA-O 3.44Å
307C98.5Very high94.7Very high2 Ų250.1 Ų50.11%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-114.7150.9178.7-61.10000110.9L272 T309 Y311 P318 L319 L320L272-C307 CarbonylContact O-C 3.51Å; C307-T309 VanDerWaalsContact C-N 3.34Å; C307-T309 VanDerWaalsContact CB-O 3.31Å; C307-T309 WeakPolarHBondContact CB-O 3.41Å; C307-Y311 HydrophobicContact CB-CD2 4.13Å; C307-Y311 HydrophobicContact CB-CE1 4.22Å; C307-Y311 HydrophobicContact CB-CE2 3.78Å; C307-Y311 HydrophobicContact CB-CG 4.48Å; C307-Y311 VanDerWaalsContact SG-CE2 3.53Å; C307-P318 PolarHBondContact N-O 2.69Å; C307-L319 HydrophobicContact CB-CD2 3.93Å; C307-L319 CarbonylContact O-C 3.37Å; C307-L319 WeakPolarHBondContact O-CA 3.46Å; C307-L320 WeakPolarHBondContact O-CD1 3.43Å; C307-L320 PolarHBondContact O-N 3.25Å
308M98.6Very high95.1Very high0 Ų052.1 Ų52.10%027%0.268CS..SBendtrans-60.1-47.9174.3-165.261.6113.200110.7I83 H129 L133 L272 F273 D274 L320 F321I83-M308 HydrophobicContact CD1-CE 4.18Å; I83-M308 HydrophobicContact CD1-CG 3.61Å; I83-M308 HydrophobicContact CD1-SD 4.12Å; I83-M308 HydrophobicContact CG1-CG 4.43Å; I83-M308 HydrophobicContact CG1-SD 4.37Å; I83-M308 HydrophobicContact CG2-CE 3.79Å; H129-M308 HydrophobicContact CB-CE 3.95Å; L133-M308 HydrophobicContact CD1-CE 4Å; L272-M308 PolarHBondContact O-N 3.25Å; F273-M308 HydrophobicContact CB-CE 4.14Å; F273-M308 WeakPolarHBondContact O-CB 3.49Å; F273-M308 WeakPolarHBondContact O-CE 3.02Å; F273-M308 WeakPolarHBondContact O-CG 3.28Å; D274-M308 WeakPolarHBondContact O-CB 3.32Å; M308-L320 HydrophobicContact SD-CB 4.33Å; M308-L320 HydrophobicContact SD-CD2 4.13Å; M308-F321 HydrophobicContact CG-CD2 4.24Å; M308-F321 WeakPolarHBondContact O-CA 3.34Å; M308-F321 WeakPolarHBondContact O-CB 3.45Å; M308-F321 PolarHBondContact O-N 2.94Å; M308-F321 HydrophobicContact SD-CD2 3.66Å; M308-F321 HydrophobicContact SD-CE2 3.69Å
309T98Very high95.6Very high4 Ų450.9 Ų50.93%0.02526%0.258CS..SBendtrans-137177.9-179.462.70000110.7D79 Y275 C307 Y311 L319 F321D79-T309 HydrophobicContact CB-CG2 4.01Å; D79-T309 WeakPolarHBondContact OD2-CG2 3.36Å; Y275-T309 PolarHBondContact O-OG1 3.43Å; C307-T309 VanDerWaalsContact C-N 3.34Å; C307-T309 VanDerWaalsContact CB-O 3.31Å; C307-T309 WeakPolarHBondContact CB-O 3.41Å; T309-Y311 WeakPolarHBondContact O-CD1 3.22Å; T309-Y311 PolarHBondContact O-N 2.85Å; T309-Y311 VanDerWaalsContact O-N 3.12Å; T309-L319 WeakPolarHBondContact O-CD2 3.42Å; T309-F321 HydrophobicContact CG2-CB 4.31Å
310Q97.2Very high96Very high68 Ų6847.9 Ų47.932%0.31825%0.245SC..  trans-71.5104.8178.1-174.7174.175.700111.5K313 L319 P323Q310-K313 VanDerWaalsContact OE1-CG 3.31Å; Q310-L319 HydrophobicContact CB-CD1 3.64Å; Q310-L319 HydrophobicContact CG-CD1 4.24Å; Q310-P323 HydrophobicContact CB-CG 3.69Å; Q310-P323 HydrophobicContact CG-CG 4.43Å
311Y97.2Very high96.3Very high3 Ų348.5 Ų48.51%0.01225%0.247CC..SBendtrans-75.7-42.8176.3-60.5-13.3000112.4L272 D274 A277 M280 R281 A284 C307 T309L272-Y311 HydrophobicContact CB-CE2 3.78Å; L272-Y311 WeakPolarHBondContact CB-OH 3.44Å; L272-Y311 HydrophobicContact CD1-CE2 3.9Å; L272-Y311 PolarHBondContact O-OH 2.91Å; D274-Y311 WeakPolarHBondContact O-CE1 3.28Å; D274-Y311 PolarHBondContact O-OH 3.18Å; A277-Y311 HydrophobicContact CB-CD1 4.03Å; M280-Y311 HydrophobicContact CB-CD2 3.72Å; M280-Y311 HydrophobicContact CB-CE1 4.35Å; M280-Y311 HydrophobicContact CB-CE2 3.41Å; M280-Y311 VanDerWaalsContact CB-CE2 3.41Å; M280-Y311 HydrophobicContact CB-CG 4.32Å; M280-Y311 HydrophobicContact CG-CE2 4.17Å; R281-Y311 PolarHBondContact NE-O 3.45Å; R281-Y311 PolarHBondContact NH2-O 3.46Å; R281-Y311 VanDerWaalsContact NH2-O 3.16Å; A284-Y311 HydrophobicContact CB-CD2 3.98Å; A284-Y311 HydrophobicContact CB-CE2 4.47Å; C307-Y311 HydrophobicContact CB-CD2 4.13Å; C307-Y311 HydrophobicContact CB-CE1 4.22Å; C307-Y311 HydrophobicContact CB-CE2 3.78Å; C307-Y311 HydrophobicContact CB-CG 4.48Å; C307-Y311 VanDerWaalsContact SG-CE2 3.53Å; T309-Y311 WeakPolarHBondContact O-CD1 3.22Å; T309-Y311 PolarHBondContact O-N 2.85Å; T309-Y311 VanDerWaalsContact O-N 3.12Å
312N95.7Very high96.6Very high55 Ų5545.4 Ų45.429%0.29424%0.24SC..  trans-147.2140.4174.7-174.9-20000108D314 F315N312-D314 PolarHBondContact O-N 3.37Å; N312-D314 PolarHBondContact OD1-N 3.5Å; N312-F315 HydrophobicContact CB-CB 4.46Å; N312-F315 HydrophobicContact CB-CD1 3.74Å; N312-F315 HydrophobicContact CB-CD2 3.81Å; N312-F315 HydrophobicContact CB-CE1 3.84Å; N312-F315 HydrophobicContact CB-CE2 3.91Å; N312-F315 HydrophobicContact CB-CG 3.73Å; N312-F315 HydrophobicContact CB-CZ 3.93Å; N312-F315 PolarHBondContact O-N 3Å
313K93.8Very high96.6Very high160 Ų16043.5 Ų43.570%0.69623%0.234SC*.THydrogen-bonded Turntrans-61.1-26.7178-69.6177.9-178.9177.90112.6Q310Q310-K313 VanDerWaalsContact OE1-CG 3.31Å
314D95.8Very high96.1Very high136 Ų13647 Ų4773%0.72725%0.25SC*.THydrogen-bonded Turntrans-85.3-8.7-179.4-57.4-35.4000113.4N312N312-D314 PolarHBondContact O-N 3.37Å; N312-D314 PolarHBondContact OD1-N 3.5Å
315F96.6Very high95.3Very high27 Ų2749.6 Ų49.612%0.11827%0.273CS..  trans-80.3128.2-179.6-70.71000110.2R281 A284 E285 L289 N312 F317R281-F315 HydrophobicContact CB-CE2 4.43Å; R281-F315 HydrophobicContact CG-CE2 4.47Å; A284-F315 HydrophobicContact CB-CD2 4.37Å; A284-F315 HydrophobicContact CB-CE2 4.05Å; E285-F315 HydrophobicContact CB-CZ 3.95Å; L289-F315 HydrophobicContact CD1-CD1 3.37Å; L289-F315 HydrophobicContact CD1-CE1 3.53Å; L289-F315 HydrophobicContact CD1-CG 4.12Å; L289-F315 HydrophobicContact CD1-CZ 4.39Å; N312-F315 HydrophobicContact CB-CB 4.46Å; N312-F315 HydrophobicContact CB-CD1 3.74Å; N312-F315 HydrophobicContact CB-CD2 3.81Å; N312-F315 HydrophobicContact CB-CE1 3.84Å; N312-F315 HydrophobicContact CB-CE2 3.91Å; N312-F315 HydrophobicContact CB-CG 3.73Å; N312-F315 HydrophobicContact CB-CZ 3.93Å; N312-F315 PolarHBondContact O-N 3Å; F315-F317 HydrophobicContact CB-CD2 3.72Å; F315-F317 HydrophobicContact CB-CE2 3.92Å; F315-F317 HydrophobicContact CB-CG 4.44Å; F315-F317 AromaticContact CD2-CD2 3.95Å; F315-F317 HydrophobicContact CD2-CD2 3.95Å; F315-F317 AromaticContact CD2-CE2 3.71Å; F315-F317 HydrophobicContact CD2-CE2 3.71Å; F315-F317 HydrophobicContact CE2-CE2 4.42Å; F315-F317 HydrophobicContact CG-CD2 4.15Å; F315-F317 AromaticContact CG-CE2 3.92Å; F315-F317 HydrophobicContact CG-CE2 3.92Å; F315-F317 PolarHBondContact O-N 3.36Å; F315-F317 VanDerWaalsContact O-N 3.13Å
316P96.3Very high94.9Very high97 Ų9750.7 Ų50.763%0.6328%0.278SS*.  trans-82.214.8-175.936-37.5000113.1L289L289-P316 HydrophobicContact CD2-CG 4.01Å
317F97.5Very high94.6Very high21 Ų2157.2 Ų57.29%0.09231%0.306CS..  trans-79.7133.8-173.1-51.5-42.9000111.1A284 L289 I305 F315 L319A284-F317 HydrophobicContact CB-CD2 4.48Å; A284-F317 HydrophobicContact CB-CE2 3.96Å; L289-F317 HydrophobicContact CD1-CZ 4.4Å; L289-F317 HydrophobicContact CD2-CZ 4.46Å; L289-F317 HydrophobicContact CG-CZ 3.92Å; I305-F317 HydrophobicContact CB-CD1 4.05Å; I305-F317 HydrophobicContact CB-CE1 4.29Å; I305-F317 HydrophobicContact CB-CG 4.48Å; I305-F317 HydrophobicContact CD1-CE1 4.32Å; I305-F317 HydrophobicContact CG2-CD1 4.21Å; I305-F317 HydrophobicContact CG2-CD2 4.41Å; I305-F317 HydrophobicContact CG2-CE1 4.47Å; I305-F317 HydrophobicContact CG2-CG 4.19Å; F315-F317 HydrophobicContact CB-CD2 3.72Å; F315-F317 HydrophobicContact CB-CE2 3.92Å; F315-F317 HydrophobicContact CB-CG 4.44Å; F315-F317 AromaticContact CD2-CD2 3.95Å; F315-F317 HydrophobicContact CD2-CD2 3.95Å; F315-F317 AromaticContact CD2-CE2 3.71Å; F315-F317 HydrophobicContact CD2-CE2 3.71Å; F315-F317 HydrophobicContact CE2-CE2 4.42Å; F315-F317 HydrophobicContact CG-CD2 4.15Å; F315-F317 AromaticContact CG-CE2 3.92Å; F315-F317 HydrophobicContact CG-CE2 3.92Å; F315-F317 PolarHBondContact O-N 3.36Å; F315-F317 VanDerWaalsContact O-N 3.13Å; F317-L319 WeakPolarHBondContact O-CD2 3.27Å
318P98Very high94.5Very high57 Ų5758.6 Ų58.637%0.3731%0.313SS..  trans-56.6143.1170-25.635.3000112.2T97 I305 S306 C307T97-P318 HydrophobicContact CG2-CB 3.55Å; I305-P318 WeakPolarHBondContact O-CD 3.42Å; S306-P318 CarbonylContact C-O 3.34Å; S306-P318 VanDerWaalsContact CA-O 3.29Å; S306-P318 WeakPolarHBondContact CA-O 3.44Å; C307-P318 PolarHBondContact N-O 2.69Å
319L98.5Very high94.5Very high33 Ų3358.6 Ų58.617%0.17331%0.313CS..BIsolated β-bridgetrans-112134.3-176.4-50.8-177.9000110.2T97 C307 T309 Q310 F317 P322T97-L319 VanDerWaalsContact CB-O 3.31Å; T97-L319 WeakPolarHBondContact CB-O 3.48Å; T97-L319 PolarHBondContact OG1-O 3.07Å; C307-L319 HydrophobicContact CB-CD2 3.93Å; C307-L319 CarbonylContact O-C 3.37Å; C307-L319 WeakPolarHBondContact O-CA 3.46Å; T309-L319 WeakPolarHBondContact O-CD2 3.42Å; Q310-L319 HydrophobicContact CB-CD1 3.64Å; Q310-L319 HydrophobicContact CG-CD1 4.24Å; F317-L319 WeakPolarHBondContact O-CD2 3.27Å; L319-P322 HydrophobicContact CB-CB 4.28Å; L319-P322 HydrophobicContact CD1-CB 4.19Å
320L98.5Very high94.5Very high6 Ų658.4 Ų58.43%0.03131%0.312CS..SBendtrans-72.2-45.8172.7-81.870.4000110.2N95 T97 L98 L133 I271 C307 M308 P322N95-L320 PolarHBondContact ND2-O 2.83Å; T97-L320 HydrophobicContact CG2-CD1 3.81Å; T97-L320 HydrophobicContact CG2-CG 4.4Å; L98-L320 HydrophobicContact CB-CD2 4.31Å; L133-L320 HydrophobicContact CD2-CD2 3.76Å; I271-L320 HydrophobicContact CG2-CD1 4.22Å; I271-L320 HydrophobicContact CG2-CD2 4.35Å; C307-L320 WeakPolarHBondContact O-CD1 3.43Å; C307-L320 PolarHBondContact O-N 3.25Å; M308-L320 HydrophobicContact SD-CB 4.33Å; M308-L320 HydrophobicContact SD-CD2 4.13Å; L320-P322 WeakPolarHBondContact O-CD 3.26Å
321F97.6Very high94.6Very high16 Ų1655.1 Ų55.17%0.0730%0.297CS..SBendtrans-121.382.8178.8-62.9-94.1000108.5R82 I83 A86 M308 T309R82-F321 HydrophobicContact CB-CD1 4.23Å; I83-F321 HydrophobicContact CB-CE2 4.4Å; I83-F321 HydrophobicContact CB-CZ 4.26Å; I83-F321 HydrophobicContact CD1-CD2 4.29Å; I83-F321 HydrophobicContact CG1-CD1 4.03Å; I83-F321 HydrophobicContact CG1-CD2 3.64Å; I83-F321 HydrophobicContact CG1-CE1 4Å; I83-F321 HydrophobicContact CG1-CE2 3.63Å; I83-F321 HydrophobicContact CG1-CG 3.85Å; I83-F321 HydrophobicContact CG1-CZ 3.81Å; I83-F321 HydrophobicContact CG2-CE2 4.34Å; I83-F321 HydrophobicContact CG2-CZ 4.39Å; A86-F321 HydrophobicContact CB-CE1 3.88Å; A86-F321 HydrophobicContact CB-CZ 3.74Å; M308-F321 HydrophobicContact CG-CD2 4.24Å; M308-F321 WeakPolarHBondContact O-CA 3.34Å; M308-F321 WeakPolarHBondContact O-CB 3.45Å; M308-F321 PolarHBondContact O-N 2.94Å; M308-F321 HydrophobicContact SD-CD2 3.66Å; M308-F321 HydrophobicContact SD-CE2 3.69Å; T309-F321 HydrophobicContact CG2-CB 4.31Å
322P95.4Very high94.6Very high65 Ų6557.5 Ų57.542%0.42231%0.308SS..PPolyproline II helixtrans-63.6158176.627.9-34.7000111R82 L319 L320 E324R82-P322 PolarHBondContact NH1-O 3.36Å; R82-P322 VanDerWaalsContact NH1-O 3.15Å; R82-P322 PolarHBondContact NH2-O 2.8Å; L319-P322 HydrophobicContact CB-CB 4.28Å; L319-P322 HydrophobicContact CD1-CB 4.19Å; L320-P322 WeakPolarHBondContact O-CD 3.26Å; P322-E324 PolarHBondContact O-N 3.43Å
323P89.5Confident94.7Very high76 Ų7656.7 Ų56.749%0.49430%0.301SS..PPolyproline II helixtrans-56.2135.6171.2-22.632.8000110.8Q310Q310-P323 HydrophobicContact CB-CG 3.69Å; Q310-P323 HydrophobicContact CG-CG 4.43Å
324E83.7Confident94.9Very high105 Ų10549.1 Ų49.149%0.49127%0.268SS..PPolyproline II helixtrans-89.6132.2173.6-71.5176.6-17100109.6R82 P322 H326R82-E324 IonicContact CZ-OE1 3.71Å; R82-E324 IonicContact NE-OE1 3.12Å; R82-E324 PolarHBondContact NE-OE1 2.91Å; R82-E324 IonicContact NH2-OE1 3.88Å; R82-E324 PolarHBondContact NH2-OE1 2.66Å; P322-E324 PolarHBondContact O-N 3.43Å; E324-H326 IonicContact OE2-CE1 2.82Å
325S79.1Confident95Very high102 Ų10243.5 Ų43.571%0.71324%0.24SC*.PPolyproline II helixtrans-96.2126.1167.2165.70000107.9
326H88.3Confident95Very high32 Ų3245.5 Ų45.515%0.14826%0.257CS..  trans-99.1106.4-175.3-63.2-54.5000109.7I76 E324 V329I76-H326 WeakPolarHBondContact CG2-NE2 3.37Å; E324-H326 IonicContact OE2-CE1 2.82Å; H326-V329 HydrophobicContact CB-CG1 4.11Å; H326-V329 WeakPolarHBondContact O-CG1 3.47Å
327K93.2Very high95Very high136 Ų13643.5 Ų43.559%0.59124%0.239SC*.  trans-83157.5176.5-64.4-177-179.8179.40111.9R74 V329 E332R74-K327 VanDerWaalsContact CZ-O 3.3Å; R74-K327 PolarHBondContact NH1-O 2.77Å; R74-K327 PolarHBondContact NH2-O 3.14Å; K327-V329 PolarHBondContact O-N 3.47Å; K327-E332 VanDerWaalsContact CA-OE2 3.26Å; K327-E332 WeakPolarHBondContact CA-OE2 3.42Å
328N97Very high94.9Very high31 Ų3145 Ų4517%0.16626%0.261CS..SBendtrans52.643.7179.4-58.3-30.7000111.4R74 E332 W333 P517 E519 M520R74-N328 PolarHBondContact NH1-O 2.76Å; R74-N328 VanDerWaalsContact NH1-O 3.14Å; N328-E332 PolarHBondContact N-OE2 3.37Å; N328-W333 HydrophobicContact CB-CE3 4.08Å; N328-P517 HydrophobicContact CB-CB 3.82Å; N328-P517 HydrophobicContact CB-CG 3.88Å; N328-E519 PolarHBondContact ND2-OE1 3.17Å; N328-E519 PolarHBondContact ND2-OE2 3.22Å; N328-M520 WeakPolarHBondContact O-CE 3.35Å
329V97.8Very high94.9Very high0 Ų043.2 Ų43.20%025%0.248CC..  trans-67.6162.2158.8-60.70000108.7A72 H326 K327 A331 E332 W333 F365A72-V329 HydrophobicContact CB-CG1 4.21Å; H326-V329 HydrophobicContact CB-CG1 4.11Å; H326-V329 WeakPolarHBondContact O-CG1 3.47Å; K327-V329 PolarHBondContact O-N 3.47Å; V329-A331 VanDerWaalsContact C-N 3.3Å; V329-A331 PolarHBondContact O-N 3.35Å; V329-E332 HydrophobicContact CG2-CB 3.74Å; V329-E332 PolarHBondContact O-N 2.98Å; V329-E332 VanDerWaalsContact O-N 3.13Å; V329-W333 WeakPolarHBondContact O-CB 3.19Å; V329-W333 PolarHBondContact O-N 2.63Å; V329-F365 HydrophobicContact CG2-CE2 3.97Å; V329-F365 HydrophobicContact CG2-CZ 4.06Å
330L98.6Very high94.9Very high0 Ų045.8 Ų45.80%026%0.258CS..Hα-helixtrans-52.9-48.2-174.5178.953.4000112.1G71 E332 W333 L334 F357 F407 A505 V508 L509 M520G71-L330 WeakPolarHBondContact O-CB 2.96Å; G71-L330 PolarHBondContact O-N 2.93Å; L330-E332 PolarHBondContact O-N 3.43Å; L330-W333 PolarHBondContact O-N 3.19Å; L330-L334 HydrophobicContact CD1-CD1 3.98Å; L330-L334 HydrophobicContact CD1-CD2 4.47Å; L330-L334 HydrophobicContact CD1-CG 3.99Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 2.97Å; L330-F357 HydrophobicContact CB-CE1 4.14Å; L330-F357 HydrophobicContact CB-CZ 4.26Å; L330-F357 HydrophobicContact CD2-CE1 4.29Å; L330-F357 HydrophobicContact CD2-CZ 3.74Å; L330-F357 HydrophobicContact CG-CE1 4.37Å; L330-F357 HydrophobicContact CG-CZ 4.31Å; L330-F407 HydrophobicContact CD2-CE1 4.47Å; L330-F407 HydrophobicContact CD2-CE2 4.26Å; L330-F407 HydrophobicContact CD2-CZ 3.94Å; L330-A505 HydrophobicContact CB-CB 3.91Å; L330-A505 HydrophobicContact CD2-CB 3.96Å; L330-A505 HydrophobicContact CG-CB 4.37Å; L330-V508 HydrophobicContact CD1-CG1 4.35Å; L330-V508 HydrophobicContact CD2-CB 4.24Å; L330-V508 HydrophobicContact CD2-CG1 4.03Å; L330-L509 HydrophobicContact CD1-CD1 4.41Å; L330-L509 HydrophobicContact CD1-CD2 3.55Å; L330-L509 HydrophobicContact CD1-CG 3.81Å; L330-M520 HydrophobicContact CB-CE 4.16Å
331A98.2Very high94.9Very high0 Ų045.5 Ų45.50%026%0.256CS..Hα-helixtrans-62.5-45.3179.600000112.8V329 W333 L334 S335 Q341 F357 N358 F365V329-A331 VanDerWaalsContact C-N 3.3Å; V329-A331 PolarHBondContact O-N 3.35Å; A331-W333 VanDerWaalsContact C-N 3.31Å; A331-W333 PolarHBondContact O-N 3.42Å; A331-L334 PolarHBondContact O-N 2.95Å; A331-S335 WeakPolarHBondContact O-CB 3.33Å; A331-S335 PolarHBondContact O-N 3.21Å; A331-S335 VanDerWaalsContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.33Å; A331-S335 VanDerWaalsContact O-OG 3.12Å; A331-Q341 PolarHBondContact O-NE2 2.97Å; A331-F357 HydrophobicContact CB-CD1 4.44Å; A331-F357 HydrophobicContact CB-CE1 4.45Å; A331-N358 WeakPolarHBondContact CB-OD1 3.41Å; A331-F365 HydrophobicContact CB-CD2 3.76Å; A331-F365 HydrophobicContact CB-CE2 4.01Å
332E97.9Very high94.9Very high53 Ų5344.8 Ų44.825%0.24825%0.253CS..Hα-helixtrans-61.4-42.6176-171.6171.5-15600111.6K327 N328 V329 L330 S335 S336 F365K327-E332 VanDerWaalsContact CA-OE2 3.26Å; K327-E332 WeakPolarHBondContact CA-OE2 3.42Å; N328-E332 PolarHBondContact N-OE2 3.37Å; V329-E332 HydrophobicContact CG2-CB 3.74Å; V329-E332 PolarHBondContact O-N 2.98Å; V329-E332 VanDerWaalsContact O-N 3.13Å; L330-E332 PolarHBondContact O-N 3.43Å; E332-S335 PolarHBondContact O-N 3.21Å; E332-S336 WeakPolarHBondContact O-CB 3.3Å; E332-S336 PolarHBondContact O-N 2.99Å; E332-F365 HydrophobicContact CB-CD1 4.02Å; E332-F365 HydrophobicContact CB-CD2 4.37Å; E332-F365 HydrophobicContact CB-CE1 3.52Å; E332-F365 HydrophobicContact CB-CE2 3.9Å; E332-F365 HydrophobicContact CB-CG 4.43Å; E332-F365 HydrophobicContact CB-CZ 3.47Å; E332-F365 VanDerWaalsContact CB-CZ 3.47Å; E332-F365 HydrophobicContact CG-CD1 3.99Å; E332-F365 HydrophobicContact CG-CE1 3.5Å; E332-F365 HydrophobicContact CG-CZ 3.96Å
333W97.9Very high95.1Very high38 Ų3841.7 Ų41.714%0.14423%0.233CC..Hα-helixtrans-65.5-45.7-177.6-170-113.8000110.9N328 V329 L330 A331 S335 S336 Q337 L509 P515 P517N328-W333 HydrophobicContact CB-CE3 4.08Å; V329-W333 WeakPolarHBondContact O-CB 3.19Å; V329-W333 PolarHBondContact O-N 2.63Å; L330-W333 PolarHBondContact O-N 3.19Å; A331-W333 VanDerWaalsContact C-N 3.31Å; A331-W333 PolarHBondContact O-N 3.42Å; W333-S335 VanDerWaalsContact C-N 3.34Å; W333-S335 PolarHBondContact O-N 2.87Å; W333-S336 PolarHBondContact O-N 3.5Å; W333-S336 PolarHBondContact O-OG 2.91Å; W333-Q337 WeakPolarHBondContact O-CG 3.38Å; W333-Q337 PolarHBondContact O-N 3.25Å; W333-L509 HydrophobicContact CG-CD1 4.5Å; W333-P515 HydrophobicContact CZ2-CB 4.46Å; W333-P515 HydrophobicContact CZ2-CG 4.04Å; W333-P515 PolarHBondContact NE1-O 2.85Å; W333-P517 HydrophobicContact CD2-CB 3.97Å; W333-P517 HydrophobicContact CD2-CG 3.83Å; W333-P517 HydrophobicContact CE3-CB 3.84Å; W333-P517 HydrophobicContact CE3-CG 4.11Å; W333-P517 HydrophobicContact CG-CG 4.08Å; W333-P517 HydrophobicContact CH2-CB 3.9Å; W333-P517 HydrophobicContact CZ2-CB 4Å; W333-P517 HydrophobicContact CZ2-CG 4.48Å; W333-P517 HydrophobicContact CZ3-CB 3.82Å
334L98.3Very high95.5Very high1 Ų138 Ų381%0.00521%0.209CC..Hα-helixtrans-58-46.5174.2-68.7172.5000111.6L330 A331 S336 Q337 G338 L339 Q341 F407 L509 M512 L514L330-L334 HydrophobicContact CD1-CD1 3.98Å; L330-L334 HydrophobicContact CD1-CD2 4.47Å; L330-L334 HydrophobicContact CD1-CG 3.99Å; L330-L334 HydrophobicContact CG-CD1 4.13Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 2.97Å; A331-L334 PolarHBondContact O-N 2.95Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.35Å; L334-Q337 PolarHBondContact O-N 3.44Å; L334-Q337 VanDerWaalsContact O-N 3.12Å; L334-G338 PolarHBondContact O-N 3.39Å; L334-L339 HydrophobicContact CB-CB 4.43Å; L334-L339 HydrophobicContact CD2-CD1 3.88Å; L334-L339 WeakPolarHBondContact O-CB 3.5Å; L334-L339 PolarHBondContact O-N 3.34Å; L334-Q341 HydrophobicContact CD1-CB 4.48Å; L334-F407 HydrophobicContact CD1-CB 3.7Å; L334-F407 HydrophobicContact CD1-CD1 3.47Å; L334-F407 VanDerWaalsContact CD1-CD1 3.47Å; L334-F407 HydrophobicContact CD1-CD2 4.44Å; L334-F407 HydrophobicContact CD1-CE1 4.21Å; L334-F407 HydrophobicContact CD1-CG 3.61Å; L334-L509 HydrophobicContact CD2-CD2 4.2Å; L334-M512 HydrophobicContact CD2-CE 3.87Å; L334-M512 HydrophobicContact CD2-SD 4.03Å; L334-L514 HydrophobicContact CD2-CD1 3.64Å
335S97.5Very high96.2Very high18 Ų1833 Ų3313%0.12619%0.186CC..Hα-helixtrans-61.4-39.4176.2-66.30000112.8A331 E332 W333 Q337 G338 Q341 F365 N366A331-S335 WeakPolarHBondContact O-CB 3.33Å; A331-S335 PolarHBondContact O-N 3.21Å; A331-S335 VanDerWaalsContact O-N 3.08Å; A331-S335 PolarHBondContact O-OG 3.33Å; A331-S335 VanDerWaalsContact O-OG 3.12Å; E332-S335 PolarHBondContact O-N 3.21Å; W333-S335 VanDerWaalsContact C-N 3.34Å; W333-S335 PolarHBondContact O-N 2.87Å; S335-Q337 PolarHBondContact O-N 3.16Å; S335-G338 WeakPolarHBondContact O-CA 3.42Å; S335-G338 PolarHBondContact O-N 3.01Å; S335-Q341 PolarHBondContact OG-NE2 3.45Å; S335-F365 WeakPolarHBondContact OG-CB 3.22Å; S335-N366 WeakPolarHBondContact CB-O 3.24Å; S335-N366 PolarHBondContact OG-O 2.9Å
336S96.5Very high97.2Very high68 Ų6828.2 Ų28.248%0.47615%0.152SC..Hα-helixtrans-63.4-26.2177.280.30000112.7E332 W333 L334 G338E332-S336 WeakPolarHBondContact O-CB 3.3Å; E332-S336 PolarHBondContact O-N 2.99Å; W333-S336 PolarHBondContact O-N 3.5Å; W333-S336 PolarHBondContact O-OG 2.91Å; L334-S336 VanDerWaalsContact C-N 3.33Å; L334-S336 PolarHBondContact O-N 3.35Å; S336-G338 VanDerWaalsContact C-N 3.32Å
337Q95.5Very high97.6Very high55 Ų5529.8 Ų29.826%0.25716%0.164SC..THydrogen-bonded Turntrans-88.52.9174.2-55.5-53.3-51.700113V2 W333 L334 S335 L339V2-Q337 HydrophobicContact CG2-CB 4.22Å; W333-Q337 WeakPolarHBondContact O-CG 3.38Å; W333-Q337 PolarHBondContact O-N 3.25Å; L334-Q337 PolarHBondContact O-N 3.44Å; L334-Q337 VanDerWaalsContact O-N 3.12Å; S335-Q337 PolarHBondContact O-N 3.16Å; Q337-L339 HydrophobicContact CB-CD1 4.29Å; Q337-L339 HydrophobicContact CB-CG 4.15Å
338G96.1Very high97.6Very high54 Ų5427.1 Ų27.156%0.55715%0.154SC*.THydrogen-bonded Turntrans72.225.2-17900000114L334 S335 S336L334-G338 PolarHBondContact O-N 3.39Å; S335-G338 WeakPolarHBondContact O-CA 3.42Å; S335-G338 PolarHBondContact O-N 3.01Å; S336-G338 VanDerWaalsContact C-N 3.32Å
339L97.8Very high97.6Very high19 Ų1926.1 Ų26.110%0.09915%0.148CC..  trans-94.3136.2-177.9-60.6178.7000111.7V4 L334 Q337 E367 P406 M512 L514V4-L339 HydrophobicContact CG2-CD1 3.75Å; V4-L339 HydrophobicContact CG2-CD2 3.64Å; V4-L339 HydrophobicContact CG2-CG 4.37Å; L334-L339 HydrophobicContact CB-CB 4.43Å; L334-L339 HydrophobicContact CD2-CD1 3.88Å; L334-L339 WeakPolarHBondContact O-CB 3.5Å; L334-L339 PolarHBondContact O-N 3.34Å; Q337-L339 HydrophobicContact CB-CD1 4.29Å; Q337-L339 HydrophobicContact CB-CG 4.15Å; L339-E367 WeakPolarHBondContact O-CB 3.5Å; L339-P406 HydrophobicContact CB-CG 4.05Å; L339-P406 HydrophobicContact CD2-CG 4.18Å; L339-M512 HydrophobicContact CD1-CE 4.36Å; L339-L514 HydrophobicContact CD1-CD1 3.61Å; L339-L514 HydrophobicContact CD1-CD2 4.1Å
340K98.2Very high97.6Very high86 Ų8628.9 Ų28.937%0.37416%0.159SC..  trans-72.8137172.5-75176.3-179.5175.60111.5E367 K404 Y405 P406K340-E367 WeakPolarHBondContact CA-O 3.4Å; K340-E367 WeakPolarHBondContact CE-OE2 3.41Å; K340-E367 HydrophobicContact CG-CB 4.11Å; K340-E367 HydrophobicContact CG-CG 4.48Å; K340-E367 WeakPolarHBondContact CG-OE2 3.37Å; K340-K404 HydrophobicContact CD-CG 4.32Å; K340-Y405 HydrophobicContact CB-CD1 3.75Å; K340-Y405 HydrophobicContact CB-CE1 4.4Å; K340-Y405 HydrophobicContact CB-CG 4.48Å; K340-P406 WeakPolarHBondContact O-CD 3.39Å; K340-P406 WeakPolarHBondContact O-CG 3.37Å
341Q98.6Very high97.5Very high0 Ų030.8 Ų30.80%018%0.175CC..EExtended strand (participates in β ladder)trans-136.8150.8175.861.1-167.3-52.500112.2A331 L334 S335 H343 E367 E368 E369 Y405 F407A331-Q341 PolarHBondContact O-NE2 2.97Å; L334-Q341 HydrophobicContact CD1-CB 4.48Å; S335-Q341 PolarHBondContact OG-NE2 3.45Å; Q341-H343 PolarHBondContact OE1-NE2 3.18Å; Q341-H343 VanDerWaalsContact OE1-NE2 3.1Å; Q341-E367 PolarHBondContact N-O 2.9Å; Q341-E368 HydrophobicContact CG-CB 3.81Å; Q341-E368 HydrophobicContact CG-CG 3.98Å; Q341-E369 PolarHBondContact O-N 2.78Å; Q341-Y405 VanDerWaalsContact C-CD1 3.47Å; Q341-Y405 WeakPolarHBondContact O-CD1 3.33Å; Q341-F407 VanDerWaalsContact CA-O 3.26Å; Q341-F407 WeakPolarHBondContact CA-O 3.4Å; Q341-F407 HydrophobicContact CB-CB 4.33Å; Q341-F407 HydrophobicContact CB-CD1 3.96Å
342F98.8Very high97.5Very high1 Ų132 Ų320%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-131.1126179.8179.6-93.5000111.7C344 E369 C371 K395 M396 M399 Y405 F407 V408 M409F342-C344 HydrophobicContact CD1-CB 4.33Å; F342-C344 HydrophobicContact CE1-CB 3.5Å; F342-C344 HydrophobicContact CZ-CB 4.05Å; F342-E369 CarbonylContact C-O 3.47Å; F342-E369 VanDerWaalsContact CA-O 3.3Å; F342-E369 WeakPolarHBondContact CA-O 3.2Å; F342-E369 HydrophobicContact CD2-CB 4.13Å; F342-E369 HydrophobicContact CD2-CG 4.15Å; F342-E369 HydrophobicContact CE2-CG 4.47Å; F342-C371 HydrophobicContact CE1-CB 4.24Å; F342-C371 HydrophobicContact CE2-CB 3.68Å; F342-C371 HydrophobicContact CZ-CB 3.27Å; F342-K395 HydrophobicContact CE1-CG 4.29Å; F342-K395 HydrophobicContact CZ-CG 3.94Å; F342-M396 HydrophobicContact CD1-SD 4.06Å; F342-M396 HydrophobicContact CE1-SD 3.93Å; F342-M399 HydrophobicContact CD1-CB 4.03Å; F342-M399 HydrophobicContact CD1-CG 3.67Å; F342-M399 HydrophobicContact CD2-CG 4.03Å; F342-M399 HydrophobicContact CD2-SD 4.03Å; F342-M399 HydrophobicContact CE1-CB 4.2Å; F342-M399 HydrophobicContact CE1-CG 3.46Å; F342-M399 VanDerWaalsContact CE1-CG 3.46Å; F342-M399 HydrophobicContact CE2-CG 3.86Å; F342-M399 HydrophobicContact CE2-SD 3.88Å; F342-M399 HydrophobicContact CG-CB 4.36Å; F342-M399 HydrophobicContact CG-CG 3.93Å; F342-M399 HydrophobicContact CG-SD 4.43Å; F342-M399 HydrophobicContact CZ-CG 3.56Å; F342-M399 HydrophobicContact CZ-SD 4.15Å; F342-Y405 HydrophobicContact CB-CD1 3.86Å; F342-Y405 HydrophobicContact CB-CD2 3.94Å; F342-Y405 HydrophobicContact CB-CE1 4.11Å; F342-Y405 HydrophobicContact CB-CE2 4.2Å; F342-Y405 HydrophobicContact CB-CG 3.78Å; F342-Y405 HydrophobicContact CD2-CE2 4.44Å; F342-F407 PolarHBondContact N-O 2.84Å; F342-F407 VanDerWaalsContact N-O 3.12Å; F342-V408 HydrophobicContact CB-CB 4.49Å; F342-V408 HydrophobicContact CB-CG1 4.06Å; F342-V408 CarbonylContact O-C 3.58Å; F342-V408 VanDerWaalsContact O-CA 3.31Å; F342-V408 WeakPolarHBondContact O-CA 3.31Å; F342-M409 PolarHBondContact O-N 3.15Å
343H98.7Very high97.5Very high0 Ų029.5 Ų29.50%017%0.169CC..EExtended strand (participates in β ladder)trans-120.3126.1-176-66.9-151.6000109.6Q341 V353 F357 E368 E369 R370 C371 F407 M409Q341-H343 PolarHBondContact OE1-NE2 3.18Å; Q341-H343 VanDerWaalsContact OE1-NE2 3.1Å; H343-V353 HydrophobicContact CB-CG2 4.36Å; H343-V353 PolarHBondContact ND1-O 3.27Å; H343-F357 AromaticContact CE1-CD1 3.75Å; H343-F357 AromaticContact CE1-CE1 3.79Å; H343-E368 IonicContact ND1-OE1 2.76Å; H343-E369 PolarHBondContact N-O 2.93Å; H343-R370 CarbonylContact O-C 3.48Å; H343-R370 WeakPolarHBondContact O-CA 3.46Å; H343-C371 PolarHBondContact O-N 3.26Å; H343-F407 AromaticContact NE2-CE1 3.81Å; H343-M409 WeakPolarHBondContact CA-O 3.34Å; H343-M409 HydrophobicContact CB-CG 4.07Å; H343-M409 VanDerWaalsContact CE1-SD 3.56Å; H343-M409 PolarHBondContact ND1-SD 2.89Å
344C98.7Very high97.5Very high0 Ų027.9 Ų27.90%016%0.163CC..EExtended strand (participates in β ladder)trans-134.3134.6-178.4-173.70000113.6F342 C371 M396 M409 C410 N411F342-C344 HydrophobicContact CD1-CB 4.33Å; F342-C344 HydrophobicContact CE1-CB 3.5Å; F342-C344 HydrophobicContact CZ-CB 4.05Å; C344-C371 VanDerWaalsContact CA-O 3.3Å; C344-C371 WeakPolarHBondContact CA-O 3.18Å; C344-C371 HydrophobicContact CB-CB 4.15Å; C344-C371 PolarHBondContact SG-O 3.29Å; C344-M396 HydrophobicContact CB-SD 3.93Å; C344-M409 PolarHBondContact N-O 2.81Å; C344-C410 HydrophobicContact CB-CB 4.44Å; C344-C410 WeakPolarHBondContact O-CA 3.48Å; C344-C410 WeakPolarHBondContact O-CB 3.49Å; C344-N411 PolarHBondContact O-N 2.82Å
345A98.6Very high97.3Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-153.9167.6168.500000109.3V353 C371 M372 I373 N411A345-V353 HydrophobicContact CB-CG1 4.14Å; A345-V353 HydrophobicContact CB-CG2 3.69Å; A345-C371 PolarHBondContact N-O 2.9Å; A345-M372 WeakPolarHBondContact O-CA 3.42Å; A345-I373 PolarHBondContact O-N 2.92Å; A345-N411 HydrophobicContact CB-CB 4.21Å
346E98.3Very high97.3Very high1 Ų131.5 Ų31.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-76165.616866.9176.198.400112.3E348 K349 Y350 I373 S375 M387 V392 A413E346-E348 VanDerWaalsContact C-N 3.28Å; E346-E348 PolarHBondContact O-N 3.49Å; E346-K349 CarbonylContact O-C 3.57Å; E346-K349 PolarHBondContact O-N 2.87Å; E346-Y350 PolarHBondContact O-N 2.89Å; E346-I373 CarbonylContact C-O 3.5Å; E346-I373 WeakPolarHBondContact CA-O 3.33Å; E346-S375 WeakPolarHBondContact CB-OG 3.28Å; E346-S375 WeakPolarHBondContact CG-OG 3.36Å; E346-S375 VanDerWaalsContact OE2-CB 3.24Å; E346-S375 WeakPolarHBondContact OE2-CB 3.32Å; E346-S375 PolarHBondContact OE2-OG 3.45Å; E346-M387 WeakPolarHBondContact OE2-CE 3.24Å; E346-V392 HydrophobicContact CB-CG2 4.31Å; E346-A413 HydrophobicContact CG-CB 3.95Å
347T97.7Very high97.3Very high64 Ų6428.2 Ų28.239%0.39315%0.154SC..G310 helixtrans-50-45.8-173.8-55.80000113K349 Y350 M372 I373 P374 S375T347-K349 PolarHBondContact O-N 3.31Å; T347-K349 VanDerWaalsContact O-N 3.15Å; T347-Y350 PolarHBondContact O-N 3.29Å; T347-M372 HydrophobicContact CG2-SD 4.25Å; T347-I373 PolarHBondContact N-O 3.47Å; T347-I373 PolarHBondContact OG1-O 2.91Å; T347-P374 WeakPolarHBondContact OG1-CA 3.47Å; T347-S375 PolarHBondContact N-OG 3.48Å; T347-S375 VanDerWaalsContact N-OG 3.14Å; T347-S375 PolarHBondContact OG1-N 2.56Å
348E93Very high97.4Very high80 Ų8025.7 Ų25.737%0.37414%0.142SC..G310 helixtrans-57.1-31.2-178.6-69.5-55.9121.900113.4E346 S375 Y381 M387 M417E346-E348 VanDerWaalsContact C-N 3.28Å; E346-E348 PolarHBondContact O-N 3.49Å; E348-S375 PolarHBondContact N-OG 3.15Å; E348-S375 VanDerWaalsContact N-OG 3.14Å; E348-Y381 HydrophobicContact CG-CE2 4.11Å; E348-Y381 WeakPolarHBondContact CG-OH 3.42Å; E348-Y381 PolarHBondContact OE1-OH 2.92Å; E348-M387 HydrophobicContact CG-CE 4.1Å; E348-M417 HydrophobicContact CB-CE 4.22Å; E348-M417 HydrophobicContact CB-SD 4.38Å; E348-M417 HydrophobicContact CG-CE 3.93Å; E348-M417 VanDerWaalsContact OE2-CE 3.3Å; E348-M417 WeakPolarHBondContact OE2-CE 3.43Å
349K96.2Very high97.2Very high11 Ų1123.7 Ų23.75%0.04812%0.121CC..G310 helixtrans-12516.2-175.1-54.8-66.8-176.1138.30114.3D14 S63 E346 T347 A351 H352 N411 A413 D416 M417D14-K349 IonicContact OD1-NZ 3.99Å; D14-K349 PolarHBondContact OD1-NZ 3.4Å; D14-K349 WeakPolarHBondContact OD2-CD 3.25Å; D14-K349 WeakPolarHBondContact OD2-CE 3.48Å; D14-K349 VanDerWaalsContact OD2-CG 3.29Å; D14-K349 WeakPolarHBondContact OD2-CG 3.42Å; D14-K349 IonicContact OD2-NZ 3.86Å; D14-K349 PolarHBondContact OD2-NZ 3.36Å; S63-K349 PolarHBondContact OG-NZ 3.36Å; E346-K349 CarbonylContact O-C 3.57Å; E346-K349 PolarHBondContact O-N 2.87Å; T347-K349 PolarHBondContact O-N 3.31Å; T347-K349 VanDerWaalsContact O-N 3.15Å; K349-A351 VanDerWaalsContact C-N 3.34Å; K349-A351 PolarHBondContact O-N 2.73Å; K349-H352 VanDerWaalsContact CA-ND1 3.35Å; K349-H352 WeakPolarHBondContact CA-ND1 3.44Å; K349-H352 VanDerWaalsContact CD-ND1 3.33Å; K349-H352 WeakPolarHBondContact CD-ND1 3.33Å; K349-H352 WeakPolarHBondContact O-CB 3.47Å; K349-H352 PolarHBondContact O-N 2.92Å; K349-H352 VanDerWaalsContact O-N 3.11Å; K349-N411 WeakPolarHBondContact CB-ND2 3.45Å; K349-A413 HydrophobicContact CB-CB 4.32Å; K349-A413 HydrophobicContact CG-CB 3.48Å; K349-A413 VanDerWaalsContact CG-CB 3.48Å; K349-D416 IonicContact NZ-OD2 3.25Å; K349-D416 PolarHBondContact NZ-OD2 2.92Å; K349-M417 WeakPolarHBondContact CE-SD 3.45Å
350Y97.7Very high96.8Very high57 Ų5724.6 Ų24.622%0.22414%0.135CC..THydrogen-bonded Turntrans-62.1-38.1179.2-179.5-106.7000113.5E346 T347 H352 T354 R370 M372E346-Y350 PolarHBondContact O-N 2.89Å; T347-Y350 PolarHBondContact O-N 3.29Å; Y350-H352 PolarHBondContact O-N 3.06Å; Y350-T354 HydrophobicContact CD2-CG2 4.37Å; Y350-T354 HydrophobicContact CE1-CG2 4.28Å; Y350-T354 HydrophobicContact CE2-CG2 3.94Å; Y350-T354 WeakPolarHBondContact O-CG2 3.14Å; Y350-T354 PolarHBondContact O-N 3.43Å; Y350-T354 PolarHBondContact O-OG1 3.29Å; Y350-R370 HydrophobicContact CE2-CB 4.08Å; Y350-R370 WeakPolarHBondContact OH-CB 3.38Å; Y350-R370 WeakPolarHBondContact OH-CD 3.48Å; Y350-M372 HydrophobicContact CD1-CB 4.48Å; Y350-M372 HydrophobicContact CD1-CG 4.4Å; Y350-M372 HydrophobicContact CD1-SD 3.8Å; Y350-M372 HydrophobicContact CD2-CB 3.55Å; Y350-M372 HydrophobicContact CD2-CG 3.85Å; Y350-M372 HydrophobicContact CD2-SD 4.33Å; Y350-M372 HydrophobicContact CE1-SD 4.42Å; Y350-M372 HydrophobicContact CE2-CB 3.69Å; Y350-M372 HydrophobicContact CE2-CG 4.44Å; Y350-M372 HydrophobicContact CG-CB 3.96Å; Y350-M372 HydrophobicContact CG-CG 3.8Å; Y350-M372 HydrophobicContact CG-SD 3.73Å
351A97.1Very high96.5Very high41 Ų4126 Ų2634%0.33914%0.138SC..THydrogen-bonded Turntrans-62.9-28.3176.200000112.7K349 T354 F355 F356K349-A351 VanDerWaalsContact C-N 3.34Å; K349-A351 PolarHBondContact O-N 2.73Å; A351-T354 WeakPolarHBondContact CA-OG1 3.33Å; A351-T354 CarbonylContact O-C 3.54Å; A351-T354 PolarHBondContact O-N 3.32Å; A351-F355 HydrophobicContact CB-CB 4.47Å; A351-F355 PolarHBondContact O-N 2.94Å; A351-F356 HydrophobicContact CB-CD2 4.15Å; A351-F356 HydrophobicContact CB-CE2 3.98Å; A351-F356 WeakPolarHBondContact O-CD2 3.39Å; A351-F356 PolarHBondContact O-N 3.35Å
352H98.1Very high96.1Very high25 Ų2533 Ų3312%0.11617%0.17CC..Iπ-helixtrans-69.7-45.4-176.5-60.3103.4000112.2S63 H67 K349 Y350 T354 F356 F357S63-H352 WeakPolarHBondContact CB-CD2 3.46Å; S63-H352 WeakPolarHBondContact CB-NE2 3.5Å; S63-H352 PolarHBondContact O-CD2 3.37Å; H67-H352 HydrophobicContact CB-CB 4.18Å; H67-H352 WeakPolarHBondContact CB-O 3.11Å; H67-H352 VanDerWaalsContact CD2-C 3.45Å; H67-H352 PolarHBondContact CD2-O 2.99Å; H67-H352 VanDerWaalsContact CD2-O 3.3Å; K349-H352 VanDerWaalsContact CA-ND1 3.35Å; K349-H352 WeakPolarHBondContact CA-ND1 3.44Å; K349-H352 VanDerWaalsContact CD-ND1 3.33Å; K349-H352 WeakPolarHBondContact CD-ND1 3.33Å; K349-H352 WeakPolarHBondContact O-CB 3.47Å; K349-H352 PolarHBondContact O-N 2.92Å; K349-H352 VanDerWaalsContact O-N 3.11Å; Y350-H352 PolarHBondContact O-N 3.06Å; H352-T354 PolarHBondContact O-N 2.91Å; H352-F356 AromaticContact CD2-CD2 3.44Å; H352-F356 VanDerWaalsContact CD2-CD2 3.44Å; H352-F356 WeakPolarHBondContact CD2-CD2 3.43Å; H352-F356 AromaticContact CD2-CE2 3.81Å; H352-F356 AromaticContact NE2-CD2 3.9Å; H352-F356 AromaticContact NE2-CE2 3.75Å; H352-F357 VanDerWaalsContact O-CB 3.25Å; H352-F357 WeakPolarHBondContact O-CB 3.5Å; H352-F357 PolarHBondContact O-N 2.98Å; H352-F357 VanDerWaalsContact O-N 3.08Å
353V98.2Very high95.9Very high0 Ų035.6 Ų35.60%019%0.193CC..Iπ-helixtrans-80.81.5175.2-52.90000113.3H343 A345 M409 N411H343-V353 HydrophobicContact CB-CG2 4.36Å; H343-V353 PolarHBondContact ND1-O 3.27Å; A345-V353 HydrophobicContact CB-CG1 4.14Å; A345-V353 HydrophobicContact CB-CG2 3.69Å; V353-M409 HydrophobicContact CB-CE 3.67Å; V353-M409 HydrophobicContact CB-SD 4.26Å; V353-M409 HydrophobicContact CG1-CE 3.59Å; V353-N411 HydrophobicContact CG1-CB 3.42Å; V353-N411 VanDerWaalsContact CG1-CB 3.42Å
354T97.2Very high95.8Very high4 Ų437.7 Ų37.73%0.02521%0.21CC..Iπ-helixtrans-125.7-88.5-179.359.10000110.6Y350 A351 H352 F356 N358 R370Y350-T354 HydrophobicContact CD2-CG2 4.37Å; Y350-T354 HydrophobicContact CE1-CG2 4.28Å; Y350-T354 HydrophobicContact CE2-CG2 3.94Å; Y350-T354 WeakPolarHBondContact O-CG2 3.14Å; Y350-T354 PolarHBondContact O-N 3.43Å; Y350-T354 PolarHBondContact O-OG1 3.29Å; A351-T354 WeakPolarHBondContact CA-OG1 3.33Å; A351-T354 CarbonylContact O-C 3.54Å; A351-T354 PolarHBondContact O-N 3.32Å; H352-T354 PolarHBondContact O-N 2.91Å; T354-F356 PolarHBondContact O-N 3.09Å; T354-N358 WeakPolarHBondContact O-CB 3.39Å; T354-N358 PolarHBondContact O-N 3.29Å; T354-N358 PolarHBondContact O-OD1 3.47Å; T354-R370 HydrophobicContact CG2-CB 4.43Å; T354-R370 HydrophobicContact CG2-CG 3.9Å
355F95.6Very high95.8Very high66 Ų6638.7 Ų38.729%0.28921%0.214SC..Iπ-helixtrans-52-52.8-177.3176.6-102.9000113.5A351 N358 G360 R361 E362A351-F355 HydrophobicContact CB-CB 4.47Å; A351-F355 PolarHBondContact O-N 2.94Å; F355-N358 PolarHBondContact O-N 3.42Å; F355-G360 WeakPolarHBondContact CE2-O 3.41Å; F355-G360 VanDerWaalsContact O-CA 3.28Å; F355-G360 WeakPolarHBondContact O-CA 3.49Å; F355-G360 PolarHBondContact O-N 2.92Å; F355-R361 PolarHBondContact O-N 3.47Å; F355-E362 HydrophobicContact CD2-CB 4.47Å; F355-E362 HydrophobicContact CD2-CG 3.69Å; F355-E362 HydrophobicContact CE2-CG 3.81Å
356F95.8Very high95.7Very high29 Ų2945.1 Ų45.113%0.12725%0.248CC..Iπ-helixtrans-72.7-49.7-176.4-64.2-66.7000111.9E64 H67 L68 A351 H352 T354 N358 G359E64-F356 HydrophobicContact CB-CD1 4.01Å; E64-F356 HydrophobicContact CB-CD2 4.46Å; E64-F356 HydrophobicContact CB-CE1 3.75Å; E64-F356 HydrophobicContact CB-CE2 4.21Å; E64-F356 HydrophobicContact CB-CG 4.36Å; E64-F356 HydrophobicContact CB-CZ 3.85Å; E64-F356 HydrophobicContact CG-CD1 3.61Å; E64-F356 HydrophobicContact CG-CE1 3.32Å; E64-F356 HydrophobicContact CG-CG 4.41Å; E64-F356 HydrophobicContact CG-CZ 3.9Å; E64-F356 WeakPolarHBondContact OE1-CE1 3.42Å; H67-F356 HydrophobicContact CB-CB 4.18Å; L68-F356 WeakPolarHBondContact CA-O 3.43Å; L68-F356 WeakPolarHBondContact CD1-O 3.24Å; A351-F356 HydrophobicContact CB-CD2 4.15Å; A351-F356 HydrophobicContact CB-CE2 3.98Å; A351-F356 WeakPolarHBondContact O-CD2 3.39Å; A351-F356 PolarHBondContact O-N 3.35Å; H352-F356 AromaticContact CD2-CD2 3.44Å; H352-F356 VanDerWaalsContact CD2-CD2 3.44Å; H352-F356 WeakPolarHBondContact CD2-CD2 3.43Å; H352-F356 AromaticContact CD2-CE2 3.81Å; H352-F356 AromaticContact NE2-CD2 3.9Å; H352-F356 AromaticContact NE2-CE2 3.75Å; T354-F356 PolarHBondContact O-N 3.09Å; F356-N358 PolarHBondContact O-N 2.69Å; F356-N358 VanDerWaalsContact O-N 3.14Å; F356-G359 PolarHBondContact O-N 3.43Å
357F97.7Very high95.6Very high0 Ų049.6 Ų49.60%027%0.27CS..THydrogen-bonded Turntrans-55.1-32.2174.3-167.8-94.3000113L10 I70 G71 L330 A331 H343 H352 G359 F407 M409L10-F357 HydrophobicContact CD2-CE2 4.28Å; L10-F357 HydrophobicContact CD2-CZ 4.47Å; I70-F357 HydrophobicContact CG2-CD2 4.24Å; I70-F357 HydrophobicContact CG2-CE2 3.71Å; G71-F357 WeakPolarHBondContact CA-O 3.32Å; L330-F357 HydrophobicContact CB-CE1 4.14Å; L330-F357 HydrophobicContact CB-CZ 4.26Å; L330-F357 HydrophobicContact CD2-CE1 4.29Å; L330-F357 HydrophobicContact CD2-CZ 3.74Å; L330-F357 HydrophobicContact CG-CE1 4.37Å; L330-F357 HydrophobicContact CG-CZ 4.31Å; A331-F357 HydrophobicContact CB-CD1 4.44Å; A331-F357 HydrophobicContact CB-CE1 4.45Å; H343-F357 AromaticContact CE1-CD1 3.75Å; H343-F357 AromaticContact CE1-CE1 3.79Å; H352-F357 VanDerWaalsContact O-CB 3.25Å; H352-F357 WeakPolarHBondContact O-CB 3.5Å; H352-F357 PolarHBondContact O-N 2.98Å; H352-F357 VanDerWaalsContact O-N 3.08Å; F357-G359 VanDerWaalsContact C-N 3.27Å; F357-G359 PolarHBondContact O-N 2.8Å; F357-F407 HydrophobicContact CE1-CE1 4.49Å; F357-F407 HydrophobicContact CZ-CE1 4.43Å; F357-F407 HydrophobicContact CZ-CZ 4.22Å; F357-M409 HydrophobicContact CD1-SD 3.87Å; F357-M409 HydrophobicContact CD2-CE 3.79Å; F357-M409 HydrophobicContact CD2-SD 3.99Å; F357-M409 HydrophobicContact CE1-SD 3.62Å; F357-M409 HydrophobicContact CE2-CE 3.72Å; F357-M409 HydrophobicContact CE2-SD 3.73Å; F357-M409 HydrophobicContact CG-CE 4.26Å; F357-M409 HydrophobicContact CG-SD 4.03Å; F357-M409 HydrophobicContact CZ-CE 4.15Å; F357-M409 HydrophobicContact CZ-SD 3.51Å; F357-M409 VanDerWaalsContact CZ-SD 3.51Å
358N97Very high95.7Very high2 Ų247.4 Ų47.41%0.01126%0.255CS..THydrogen-bonded Turntrans-87.717.2178.1-66.63.4000113.7A331 T354 F355 F356 R361 F365 E368 R370A331-N358 WeakPolarHBondContact CB-OD1 3.41Å; T354-N358 WeakPolarHBondContact O-CB 3.39Å; T354-N358 PolarHBondContact O-N 3.29Å; T354-N358 PolarHBondContact O-OD1 3.47Å; F355-N358 PolarHBondContact O-N 3.42Å; F356-N358 PolarHBondContact O-N 2.69Å; F356-N358 VanDerWaalsContact O-N 3.14Å; N358-R361 HydrophobicContact CB-CB 4.21Å; N358-R361 WeakPolarHBondContact O-CB 3.48Å; N358-F365 HydrophobicContact CB-CE2 3.71Å; N358-E368 VanDerWaalsContact ND2-CD 3.32Å; N358-E368 PolarHBondContact ND2-OE1 3.46Å; N358-E368 PolarHBondContact ND2-OE2 2.9Å; N358-R370 PolarHBondContact ND2-NH2 3Å
359G93Very high95.9Very high11 Ų1147.3 Ų47.311%0.11325%0.254CS..THydrogen-bonded Turntrans72.731.5174.900000114.2F356 F357F356-G359 PolarHBondContact O-N 3.43Å; F357-G359 VanDerWaalsContact C-N 3.27Å; F357-G359 PolarHBondContact O-N 2.8Å
360G89.4Confident96Very high38 Ų3849.5 Ų49.539%0.39226%0.262SS..SBendtrans83.321.2-178.800000114.1F355F355-G360 WeakPolarHBondContact CE2-O 3.41Å; F355-G360 VanDerWaalsContact O-CA 3.28Å; F355-G360 WeakPolarHBondContact O-CA 3.49Å; F355-G360 PolarHBondContact O-N 2.92Å
361R91.7Very high96Very high117 Ų11748 Ų4844%0.44226%0.259SS..  trans-98.1117.1179-173.2-170.8172.8100.3-0.9111.3F355 N358 A363 F365F355-R361 PolarHBondContact O-N 3.47Å; N358-R361 HydrophobicContact CB-CB 4.21Å; N358-R361 WeakPolarHBondContact O-CB 3.48Å; R361-A363 VanDerWaalsContact CD-O 3.31Å; R361-A363 WeakPolarHBondContact CD-O 3.31Å; R361-A363 WeakPolarHBondContact CG-O 3.35Å; R361-A363 PolarHBondContact NE-O 3.08Å; R361-F365 VanDerWaalsContact CD-CE1 3.41Å
362E90.1Very high96.1Very high145 Ų14550.6 Ų50.668%0.67827%0.266SS*.  trans-68.9-46.6177.5-69.1178.3-168.800112.7F355 R370F355-E362 HydrophobicContact CD2-CB 4.47Å; F355-E362 HydrophobicContact CD2-CG 3.69Å; F355-E362 HydrophobicContact CE2-CG 3.81Å; E362-R370 PolarHBondContact O-NH1 3Å
363A94.3Very high96.1Very high57 Ų5750.7 Ų50.747%0.47127%0.267SS..SBendtrans-70.7133.2-178.800000111.7R361R361-A363 VanDerWaalsContact CD-O 3.31Å; R361-A363 WeakPolarHBondContact CD-O 3.31Å; R361-A363 WeakPolarHBondContact CG-O 3.35Å; R361-A363 PolarHBondContact NE-O 3.08Å
364A96.8Very high96.1Very high44 Ų4455.3 Ų55.336%0.36430%0.297SS..PPolyproline II helixtrans-58.3146.6171.900000111.4E368A364-E368 WeakPolarHBondContact CA-OE2 3.4Å; A364-E368 HydrophobicContact CB-CB 4.34Å; A364-E368 HydrophobicContact CB-CG 4.47Å
365F97.3Very high96.2Very high21 Ų2155.8 Ų55.89%0.09230%0.3CS..PPolyproline II helixtrans-74.5161.8168.4-64.6-75.2000110.6V329 A331 E332 S335 N358 R361 E367 E368V329-F365 HydrophobicContact CG2-CE2 3.97Å; V329-F365 HydrophobicContact CG2-CZ 4.06Å; A331-F365 HydrophobicContact CB-CD2 3.76Å; A331-F365 HydrophobicContact CB-CE2 4.01Å; E332-F365 HydrophobicContact CB-CD1 4.02Å; E332-F365 HydrophobicContact CB-CD2 4.37Å; E332-F365 HydrophobicContact CB-CE1 3.52Å; E332-F365 HydrophobicContact CB-CE2 3.9Å; E332-F365 HydrophobicContact CB-CG 4.43Å; E332-F365 HydrophobicContact CB-CZ 3.47Å; E332-F365 VanDerWaalsContact CB-CZ 3.47Å; E332-F365 HydrophobicContact CG-CD1 3.99Å; E332-F365 HydrophobicContact CG-CE1 3.5Å; E332-F365 HydrophobicContact CG-CZ 3.96Å; S335-F365 WeakPolarHBondContact OG-CB 3.22Å; N358-F365 HydrophobicContact CB-CE2 3.71Å; R361-F365 VanDerWaalsContact CD-CE1 3.41Å; F365-E367 PolarHBondContact O-N 3.25Å; F365-E368 HydrophobicContact CB-CB 4.31Å; F365-E368 WeakPolarHBondContact CD2-OE2 3.42Å; F365-E368 PolarHBondContact N-OE2 3.31Å; F365-E368 VanDerWaalsContact O-CB 3.26Å; F365-E368 WeakPolarHBondContact O-CB 3.44Å; F365-E368 PolarHBondContact O-N 3.34Å; F365-E368 VanDerWaalsContact O-N 3.11Å
366N97.3Very high96.2Very high134 Ų13453.7 Ų53.772%0.71729%0.293SS*.THydrogen-bonded Turntrans-58.5141.5173.8-67.3-14.8000109.8S335 E368S335-N366 WeakPolarHBondContact CB-O 3.24Å; S335-N366 PolarHBondContact OG-O 2.9Å; N366-E368 PolarHBondContact O-N 2.93Å; N366-E368 VanDerWaalsContact O-N 3.16Å
367E96.9Very high96.2Very high96 Ų9662.5 Ų62.545%0.44933%0.332SS..THydrogen-bonded Turntrans63.78-176.3-50.8-63.7135.500115.3L339 K340 Q341 F365L339-E367 WeakPolarHBondContact O-CB 3.5Å; K340-E367 WeakPolarHBondContact CA-O 3.4Å; K340-E367 WeakPolarHBondContact CE-OE2 3.41Å; K340-E367 HydrophobicContact CG-CB 4.11Å; K340-E367 HydrophobicContact CG-CG 4.48Å; K340-E367 WeakPolarHBondContact CG-OE2 3.37Å; Q341-E367 PolarHBondContact N-O 2.9Å; F365-E367 PolarHBondContact O-N 3.25Å
368E98.4Very high96.2Very high17 Ų1764.9 Ų64.98%0.07935%0.346CS..EExtended strand (participates in β ladder)trans-90.7113169.5-175.4-168.916000110.6Q341 H343 N358 A364 F365 N366 R370Q341-E368 HydrophobicContact CG-CB 3.81Å; Q341-E368 HydrophobicContact CG-CG 3.98Å; H343-E368 IonicContact ND1-OE1 2.76Å; N358-E368 VanDerWaalsContact ND2-CD 3.32Å; N358-E368 PolarHBondContact ND2-OE1 3.46Å; N358-E368 PolarHBondContact ND2-OE2 2.9Å; A364-E368 WeakPolarHBondContact CA-OE2 3.4Å; A364-E368 HydrophobicContact CB-CB 4.34Å; A364-E368 HydrophobicContact CB-CG 4.47Å; F365-E368 HydrophobicContact CB-CB 4.31Å; F365-E368 WeakPolarHBondContact CD2-OE2 3.42Å; F365-E368 PolarHBondContact N-OE2 3.31Å; F365-E368 VanDerWaalsContact O-CB 3.26Å; F365-E368 WeakPolarHBondContact O-CB 3.44Å; F365-E368 PolarHBondContact O-N 3.34Å; F365-E368 VanDerWaalsContact O-N 3.11Å; N366-E368 PolarHBondContact O-N 2.93Å; N366-E368 VanDerWaalsContact O-N 3.16Å; E368-R370 HydrophobicContact CG-CG 4.32Å; E368-R370 IonicContact OE1-CZ 2.96Å; E368-R370 VanDerWaalsContact OE1-CZ 3.22Å; E368-R370 IonicContact OE1-NE 3.22Å; E368-R370 PolarHBondContact OE1-NE 2.92Å; E368-R370 IonicContact OE1-NH2 3.98Å; E368-R370 PolarHBondContact OE1-NH2 3.09Å; E368-R370 IonicContact OE2-NH2 2.93Å
369E98.5Very high96Very high79 Ų7969.4 Ų69.437%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-102.2134.2173-167.9171.9138.300110.2Q341 F342 H343 K404 Y405Q341-E369 PolarHBondContact O-N 2.78Å; F342-E369 CarbonylContact C-O 3.47Å; F342-E369 VanDerWaalsContact CA-O 3.3Å; F342-E369 WeakPolarHBondContact CA-O 3.2Å; F342-E369 HydrophobicContact CD2-CB 4.13Å; F342-E369 HydrophobicContact CD2-CG 4.15Å; F342-E369 HydrophobicContact CE2-CG 4.47Å; H343-E369 PolarHBondContact N-O 2.93Å; E369-K404 IonicContact OE2-NZ 3.59Å; E369-K404 PolarHBondContact OE2-NZ 2.96Å; E369-Y405 HydrophobicContact CB-CE1 3.95Å; E369-Y405 PolarHBondContact OE1-OH 3.45Å; E369-Y405 PolarHBondContact OE2-OH 2.68Å
370R98.2Very high96.1Very high57 Ų5772 Ų7222%0.21540%0.397CS..EExtended strand (participates in β ladder)trans-119.9140-175.4-59172.9170.1-179.5-1.3111H343 Y350 T354 N358 E362 E368H343-R370 CarbonylContact O-C 3.48Å; H343-R370 WeakPolarHBondContact O-CA 3.46Å; Y350-R370 HydrophobicContact CE2-CB 4.08Å; Y350-R370 WeakPolarHBondContact OH-CB 3.38Å; Y350-R370 WeakPolarHBondContact OH-CD 3.48Å; T354-R370 HydrophobicContact CG2-CB 4.43Å; T354-R370 HydrophobicContact CG2-CG 3.9Å; N358-R370 PolarHBondContact ND2-NH2 3Å; E362-R370 PolarHBondContact O-NH1 3Å; E368-R370 HydrophobicContact CG-CG 4.32Å; E368-R370 IonicContact OE1-CZ 2.96Å; E368-R370 VanDerWaalsContact OE1-CZ 3.22Å; E368-R370 IonicContact OE1-NE 3.22Å; E368-R370 PolarHBondContact OE1-NE 2.92Å; E368-R370 IonicContact OE1-NH2 3.98Å; E368-R370 PolarHBondContact OE1-NH2 3.09Å; E368-R370 IonicContact OE2-NH2 2.93Å
371C98.2Very high96.4Very high24 Ų2471.9 Ų71.916%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-130121177.1-1770000110.9F342 H343 C344 A345F342-C371 HydrophobicContact CE1-CB 4.24Å; F342-C371 HydrophobicContact CE2-CB 3.68Å; F342-C371 HydrophobicContact CZ-CB 3.27Å; H343-C371 PolarHBondContact O-N 3.26Å; C344-C371 VanDerWaalsContact CA-O 3.3Å; C344-C371 WeakPolarHBondContact CA-O 3.18Å; C344-C371 HydrophobicContact CB-CB 4.15Å; C344-C371 PolarHBondContact SG-O 3.29Å; A345-C371 PolarHBondContact N-O 2.9Å
372M98.4Very high96.7Very high97 Ų9768.2 Ų68.248%0.47837%0.374SS..EExtended strand (participates in β ladder)trans-105.9117.9174.8-172.6170.459.500109.8A345 T347 Y350A345-M372 WeakPolarHBondContact O-CA 3.42Å; T347-M372 HydrophobicContact CG2-SD 4.25Å; Y350-M372 HydrophobicContact CD1-CB 4.48Å; Y350-M372 HydrophobicContact CD1-CG 4.4Å; Y350-M372 HydrophobicContact CD1-SD 3.8Å; Y350-M372 HydrophobicContact CD2-CB 3.55Å; Y350-M372 HydrophobicContact CD2-CG 3.85Å; Y350-M372 HydrophobicContact CD2-SD 4.33Å; Y350-M372 HydrophobicContact CE1-SD 4.42Å; Y350-M372 HydrophobicContact CE2-CB 3.69Å; Y350-M372 HydrophobicContact CE2-CG 4.44Å; Y350-M372 HydrophobicContact CG-CB 3.96Å; Y350-M372 HydrophobicContact CG-CG 3.8Å; Y350-M372 HydrophobicContact CG-SD 3.73Å
373I98.5Very high97.1Very high27 Ų2766.7 Ų66.714%0.13837%0.37CS..EExtended strand (participates in β ladder)trans-89133.9171.9-58.9-58.7000108.7A345 E346 T347 S375 Q391 V392A345-I373 PolarHBondContact O-N 2.92Å; E346-I373 CarbonylContact C-O 3.5Å; E346-I373 WeakPolarHBondContact CA-O 3.33Å; T347-I373 PolarHBondContact N-O 3.47Å; T347-I373 PolarHBondContact OG1-O 2.91Å; I373-S375 PolarHBondContact O-N 2.83Å; I373-Q391 HydrophobicContact CG2-CB 3.61Å; I373-Q391 HydrophobicContact CG2-CG 4.41Å; I373-V392 HydrophobicContact CB-CG2 4.13Å; I373-V392 HydrophobicContact CG1-CG2 4.01Å
374P98.4Very high97.2Very high96 Ų9666.7 Ų66.762%0.62336%0.362SS*.PPolyproline II helixtrans-60.1129.4175.2-25.335.4000111.7T347 S388T347-P374 WeakPolarHBondContact OG1-CA 3.47Å; P374-S388 PolarHBondContact O-OG 3.19Å
375S98Very high97.3Very high14 Ų1465.1 Ų65.110%0.09835%0.348CS..PPolyproline II helixtrans-71152.3166.6-63.50000110.4E346 T347 E348 I373E346-S375 WeakPolarHBondContact CB-OG 3.28Å; E346-S375 WeakPolarHBondContact CG-OG 3.36Å; E346-S375 VanDerWaalsContact OE2-CB 3.24Å; E346-S375 WeakPolarHBondContact OE2-CB 3.32Å; E346-S375 PolarHBondContact OE2-OG 3.45Å; T347-S375 PolarHBondContact N-OG 3.48Å; T347-S375 VanDerWaalsContact N-OG 3.14Å; T347-S375 PolarHBondContact OG1-N 2.56Å; E348-S375 PolarHBondContact N-OG 3.15Å; E348-S375 VanDerWaalsContact N-OG 3.14Å; I373-S375 PolarHBondContact O-N 2.83Å
376P96.9Very high97.4Very high22 Ų2268.2 Ų68.214%0.14336%0.363CS..PPolyproline II helixtrans-62.5143.1179.4-12.521.3000112.3V378 L384 M387P376-V378 HydrophobicContact CB-CG1 4.41Å; P376-V378 HydrophobicContact CB-CG2 4.42Å; P376-V378 PolarHBondContact O-N 2.85Å; P376-V378 VanDerWaalsContact O-N 3.15Å; P376-L384 HydrophobicContact CB-CD2 3.58Å; P376-L384 HydrophobicContact CG-CD2 3.71Å; P376-M387 HydrophobicContact CG-CB 3.9Å
377K96.1Very high97.4Very high215 Ų21562 Ų6294%0.93533%0.33SS*.  trans-88.574.5175.7-63-175.9-179.8-178.30110
378V95.9Very high97.5Very high50 Ų5057.6 Ų57.630%0.30331%0.31SS..  trans-117.5157.9175.4-66.10000110.3P376 T380 Y381 L383 L384P376-V378 HydrophobicContact CB-CG1 4.41Å; P376-V378 HydrophobicContact CB-CG2 4.42Å; P376-V378 PolarHBondContact O-N 2.85Å; P376-V378 VanDerWaalsContact O-N 3.15Å; V378-T380 WeakPolarHBondContact CG2-O 3.38Å; V378-Y381 HydrophobicContact CG2-CD1 3.71Å; V378-Y381 HydrophobicContact CG2-CE1 4.05Å; V378-Y381 HydrophobicContact CG2-CG 4.5Å; V378-L383 HydrophobicContact CB-CB 4.47Å; V378-L384 HydrophobicContact CG1-CB 4.1Å
379A92.9Very high97.5Very high96 Ų9656.9 Ų56.979%0.79331%0.306SS*.SBendtrans-67.5-40.8-179.300000112.1L383A379-L383 HydrophobicContact CB-CD1 4.37Å
380T95.3Very high97.5Very high66 Ų6659.3 Ų59.341%0.40532%0.316SS..SBendtrans-142.9144.7174.254.90000108.5V378 D382 L383V378-T380 WeakPolarHBondContact CG2-O 3.38Å; T380-D382 WeakPolarHBondContact CB-OD1 3.33Å; T380-D382 PolarHBondContact O-N 2.83Å; T380-D382 PolarHBondContact OG1-OD1 2.85Å; T380-L383 WeakPolarHBondContact O-CB 3.32Å; T380-L383 PolarHBondContact O-N 2.78Å
381Y97.1Very high97.5Very high35 Ų3561 Ų6114%0.13733%0.326CS..G310 helixtrans-72.7-13.5-170.6-67.6-65.4000114.4E348 V378 L383 L384 P385 M387 M417E348-Y381 HydrophobicContact CG-CE2 4.11Å; E348-Y381 WeakPolarHBondContact CG-OH 3.42Å; E348-Y381 PolarHBondContact OE1-OH 2.92Å; V378-Y381 HydrophobicContact CG2-CD1 3.71Å; V378-Y381 HydrophobicContact CG2-CE1 4.05Å; V378-Y381 HydrophobicContact CG2-CG 4.5Å; Y381-L383 PolarHBondContact O-N 2.69Å; Y381-L384 CarbonylContact O-C 3.55Å; Y381-L384 PolarHBondContact O-N 3.45Å; Y381-P385 WeakPolarHBondContact O-CA 3.3Å; Y381-M387 HydrophobicContact CD1-CE 3.48Å; Y381-M387 VanDerWaalsContact CD1-CE 3.48Å; Y381-M387 HydrophobicContact CD1-CG 3.81Å; Y381-M387 HydrophobicContact CD1-SD 3.83Å; Y381-M387 HydrophobicContact CD2-CE 4.07Å; Y381-M387 HydrophobicContact CD2-SD 4.42Å; Y381-M387 HydrophobicContact CE1-CE 3.46Å; Y381-M387 VanDerWaalsContact CE1-CE 3.46Å; Y381-M387 HydrophobicContact CE1-SD 4.43Å; Y381-M387 HydrophobicContact CE2-CE 4.06Å; Y381-M387 HydrophobicContact CG-CE 3.8Å; Y381-M387 HydrophobicContact CG-CG 4.24Å; Y381-M387 HydrophobicContact CG-SD 3.83Å; Y381-M417 HydrophobicContact CD2-CB 3.92Å; Y381-M417 HydrophobicContact CD2-CE 3.7Å; Y381-M417 HydrophobicContact CE2-CE 3.32Å; Y381-M417 HydrophobicContact CG-CB 4.37Å
382D97.1Very high97.6Very high40 Ų4059.8 Ų59.821%0.21432%0.318CS..G310 helixtrans-63-19.6170.360.6-64.4000113.4T380 L384 P385 V418 T421 V423 A426T380-D382 WeakPolarHBondContact CB-OD1 3.33Å; T380-D382 PolarHBondContact O-N 2.83Å; T380-D382 PolarHBondContact OG1-OD1 2.85Å; D382-L384 VanDerWaalsContact C-N 3.33Å; D382-P385 WeakPolarHBondContact O-CG 3.29Å; D382-V418 HydrophobicContact CB-CG1 4.46Å; D382-T421 HydrophobicContact CB-CG2 4.02Å; D382-T421 WeakPolarHBondContact OD1-CG2 3.39Å; D382-V423 HydrophobicContact CB-CB 3.82Å; D382-V423 HydrophobicContact CB-CG1 4.24Å; D382-V423 HydrophobicContact CB-CG2 3.91Å; D382-A426 HydrophobicContact CB-CB 3.58Å
383L97.7Very high97.6Very high113 Ų11355.2 Ų55.259%0.59230%0.295SS*.G310 helixtrans-75.8-21.1174.6-60.4176.6000113.2V378 A379 T380 Y381V378-L383 HydrophobicContact CB-CB 4.47Å; A379-L383 HydrophobicContact CB-CD1 4.37Å; T380-L383 WeakPolarHBondContact O-CB 3.32Å; T380-L383 PolarHBondContact O-N 2.78Å; Y381-L383 PolarHBondContact O-N 2.69Å
384L98Very high97.6Very high58 Ų5857 Ų5730%0.30431%0.305SS..SBendtrans-145.172.7174.1-16871.7000109.9P376 V378 Y381 D382 E386 M387P376-L384 HydrophobicContact CB-CD2 3.58Å; P376-L384 HydrophobicContact CG-CD2 3.71Å; V378-L384 HydrophobicContact CG1-CB 4.1Å; Y381-L384 CarbonylContact O-C 3.55Å; Y381-L384 PolarHBondContact O-N 3.45Å; D382-L384 VanDerWaalsContact C-N 3.33Å; L384-E386 VanDerWaalsContact C-N 3.26Å; L384-E386 VanDerWaalsContact CD1-CD 3.5Å; L384-E386 HydrophobicContact CD1-CG 4.44Å; L384-E386 WeakPolarHBondContact CD1-OE1 3.46Å; L384-E386 HydrophobicContact CG-CG 4.31Å; L384-E386 PolarHBondContact O-N 2.91Å; L384-M387 PolarHBondContact O-N 3.16Å
385P98.3Very high97.6Very high11 Ų1154.6 Ų54.67%0.07129%0.285CS..THydrogen-bonded Turntrans-65.3-23.4-165.4-22.433.8000115.2Y381 D382 M387 P414 V418 A426 K429 A430Y381-P385 WeakPolarHBondContact O-CA 3.3Å; D382-P385 WeakPolarHBondContact O-CG 3.29Å; P385-M387 PolarHBondContact O-N 2.6Å; P385-P414 WeakPolarHBondContact O-CB 3.36Å; P385-V418 HydrophobicContact CB-CG1 4.37Å; P385-V418 HydrophobicContact CB-CG2 4.2Å; P385-A426 HydrophobicContact CB-CB 4.26Å; P385-A426 VanDerWaalsContact CB-O 3.23Å; P385-A426 WeakPolarHBondContact CB-O 3.08Å; P385-A426 HydrophobicContact CG-CB 3.74Å; P385-K429 HydrophobicContact CB-CB 3.98Å; P385-K429 HydrophobicContact CG-CB 4.3Å; P385-K429 HydrophobicContact CG-CD 4.5Å; P385-A430 HydrophobicContact CB-CB 4.18Å; P385-A430 WeakPolarHBondContact O-CA 3.48Å; P385-A430 VanDerWaalsContact O-CB 3.27Å; P385-A430 WeakPolarHBondContact O-CB 3.42Å
386E98.5Very high97.6Very high86 Ų8653.9 Ų53.940%0.40228%0.28SS..THydrogen-bonded Turntrans-67.1-18.917562.9-93.3-142.400113.5L384 S388 S389 A433L384-E386 VanDerWaalsContact C-N 3.26Å; L384-E386 VanDerWaalsContact CD1-CD 3.5Å; L384-E386 HydrophobicContact CD1-CG 4.44Å; L384-E386 WeakPolarHBondContact CD1-OE1 3.46Å; L384-E386 HydrophobicContact CG-CG 4.31Å; L384-E386 PolarHBondContact O-N 2.91Å; E386-S388 PolarHBondContact O-N 2.95Å; E386-S389 VanDerWaalsContact O-CB 3.3Å; E386-S389 WeakPolarHBondContact O-CB 3.45Å; E386-S389 PolarHBondContact O-N 3.28Å; E386-S389 PolarHBondContact O-OG 3.33Å; E386-A433 HydrophobicContact CB-CB 3.61Å
387M98.4Very high97.7Very high4 Ų454.1 Ų54.12%0.0228%0.281CS..THydrogen-bonded Turntrans37.3-118.9-167.3-51.8172.260.200112.5E346 E348 P376 Y381 L384 P385 A413 P414 M417 V418E346-M387 WeakPolarHBondContact OE2-CE 3.24Å; E348-M387 HydrophobicContact CG-CE 4.1Å; P376-M387 HydrophobicContact CG-CB 3.9Å; Y381-M387 HydrophobicContact CD1-CE 3.48Å; Y381-M387 VanDerWaalsContact CD1-CE 3.48Å; Y381-M387 HydrophobicContact CD1-CG 3.81Å; Y381-M387 HydrophobicContact CD1-SD 3.83Å; Y381-M387 HydrophobicContact CD2-CE 4.07Å; Y381-M387 HydrophobicContact CD2-SD 4.42Å; Y381-M387 HydrophobicContact CE1-CE 3.46Å; Y381-M387 VanDerWaalsContact CE1-CE 3.46Å; Y381-M387 HydrophobicContact CE1-SD 4.43Å; Y381-M387 HydrophobicContact CE2-CE 4.06Å; Y381-M387 HydrophobicContact CG-CE 3.8Å; Y381-M387 HydrophobicContact CG-CG 4.24Å; Y381-M387 HydrophobicContact CG-SD 3.83Å; L384-M387 PolarHBondContact O-N 3.16Å; P385-M387 PolarHBondContact O-N 2.6Å; M387-A413 HydrophobicContact CE-CB 4.4Å; M387-P414 HydrophobicContact CB-CG 3.82Å; M387-P414 HydrophobicContact CG-CB 4.27Å; M387-P414 HydrophobicContact CG-CG 3.96Å; M387-P414 HydrophobicContact SD-CB 4.04Å; M387-P414 HydrophobicContact SD-CG 3.83Å; M387-M417 HydrophobicContact CE-CB 3.9Å; M387-M417 HydrophobicContact CE-CG 3.93Å; M387-M417 HydrophobicContact SD-CB 3.54Å; M387-M417 VanDerWaalsContact SD-CB 3.54Å; M387-M417 HydrophobicContact SD-CG 4.11Å; M387-V418 HydrophobicContact SD-CG2 4.47Å
388S98.5Very high97.9Very high3 Ų348.8 Ų48.82%0.02126%0.26CS..THydrogen-bonded Turntrans-109.122179.5-71.30000112.9P374 E386 K390 Q391 V392P374-S388 PolarHBondContact O-OG 3.19Å; E386-S388 PolarHBondContact O-N 2.95Å; S388-K390 VanDerWaalsContact C-N 3.3Å; S388-K390 PolarHBondContact O-N 3.5Å; S388-Q391 PolarHBondContact O-N 3.12Å; S388-Q391 VanDerWaalsContact O-N 3.12Å; S388-Q391 PolarHBondContact O-OE1 3.43Å; S388-V392 WeakPolarHBondContact O-CG2 3.5Å; S388-V392 PolarHBondContact O-N 3.43Å
389S98.6Very high98Very high1 Ų147 Ų471%0.00725%0.248CC..Hα-helixtrans-52.7-45.9-179.2-62.90000112.7E386 Q391 G393 F412 P414 A437E386-S389 VanDerWaalsContact O-CB 3.3Å; E386-S389 WeakPolarHBondContact O-CB 3.45Å; E386-S389 PolarHBondContact O-N 3.28Å; E386-S389 PolarHBondContact O-OG 3.33Å; S389-Q391 PolarHBondContact O-N 3.37Å; S389-G393 PolarHBondContact O-N 3.47Å; S389-F412 WeakPolarHBondContact O-CE1 3.35Å; S389-P414 WeakPolarHBondContact OG-CG 3.41Å; S389-A437 WeakPolarHBondContact O-CB 3.48Å
390K98.6Very high98.3Very high130 Ų13042.4 Ų42.457%0.56521%0.21SC*.Hα-helixtrans-63-45.1-178.9-177.5-177.6179.5-61.40111S388 G393 D394S388-K390 VanDerWaalsContact C-N 3.3Å; S388-K390 PolarHBondContact O-N 3.5Å; K390-G393 PolarHBondContact O-N 2.97Å; K390-D394 IonicContact NZ-OD1 3.56Å; K390-D394 IonicContact NZ-OD2 3.37Å; K390-D394 PolarHBondContact NZ-OD2 2.95Å; K390-D394 WeakPolarHBondContact O-CB 3.27Å; K390-D394 PolarHBondContact O-N 3.08Å
391Q98.7Very high98.4Very high92 Ų9244.3 Ų44.343%0.4321%0.213SC..Hα-helixtrans-67.4-41.5-177.3-64.890.2-43.600111.6I373 S388 S389 K395I373-Q391 HydrophobicContact CG2-CB 3.61Å; I373-Q391 HydrophobicContact CG2-CG 4.41Å; S388-Q391 PolarHBondContact O-N 3.12Å; S388-Q391 VanDerWaalsContact O-N 3.12Å; S388-Q391 PolarHBondContact O-OE1 3.43Å; S389-Q391 PolarHBondContact O-N 3.37Å; Q391-K395 WeakPolarHBondContact O-CB 3.5Å; Q391-K395 PolarHBondContact O-N 3.26Å
392V98.8Very high98.5Very high0 Ų045.4 Ų45.40%023%0.225CC..Hα-helixtrans-63.5-46.9172.9174.50000110.1E346 I373 S388 K395 M396 C410 F412E346-V392 HydrophobicContact CB-CG2 4.31Å; I373-V392 HydrophobicContact CB-CG2 4.13Å; I373-V392 HydrophobicContact CG1-CG2 4.01Å; S388-V392 WeakPolarHBondContact O-CG2 3.5Å; S388-V392 PolarHBondContact O-N 3.43Å; V392-K395 PolarHBondContact O-N 2.9Å; V392-M396 WeakPolarHBondContact O-CG 3.24Å; V392-M396 PolarHBondContact O-N 3.13Å; V392-C410 HydrophobicContact CG1-CB 3.86Å; V392-F412 HydrophobicContact CB-CE1 4Å; V392-F412 HydrophobicContact CG1-CD1 4.37Å; V392-F412 HydrophobicContact CG1-CE1 3.89Å; V392-F412 HydrophobicContact CG1-CZ 4.37Å
393G98.8Very high98.5Very high0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-58-50176.800000113.3S389 K390 K395 M396 V397S389-G393 PolarHBondContact O-N 3.47Å; K390-G393 PolarHBondContact O-N 2.97Å; G393-K395 VanDerWaalsContact C-N 3.3Å; G393-K395 PolarHBondContact O-N 3.45Å; G393-M396 PolarHBondContact O-N 3.18Å; G393-V397 WeakPolarHBondContact O-CG2 3.17Å; G393-V397 PolarHBondContact O-N 3.42Å
394D98.8Very high98.4Very high65 Ų6549.2 Ų49.235%0.34824%0.235SC..Hα-helixtrans-58.7-41.9177.5-72.6-21.2000111.3K390 V397 E398K390-D394 IonicContact NZ-OD1 3.56Å; K390-D394 IonicContact NZ-OD2 3.37Å; K390-D394 PolarHBondContact NZ-OD2 2.95Å; K390-D394 WeakPolarHBondContact O-CB 3.27Å; K390-D394 PolarHBondContact O-N 3.08Å; D394-V397 PolarHBondContact O-N 3.12Å; D394-E398 PolarHBondContact O-N 2.89Å
395K98.8Very high98.5Very high45 Ų4546.6 Ų46.620%0.19622%0.222CC..Hα-helixtrans-66.2-40.5178.2-17365.7-167.2169.20111.9F342 Q391 V392 G393 E398 M399F342-K395 HydrophobicContact CE1-CG 4.29Å; F342-K395 HydrophobicContact CZ-CG 3.94Å; Q391-K395 WeakPolarHBondContact O-CB 3.5Å; Q391-K395 PolarHBondContact O-N 3.26Å; V392-K395 PolarHBondContact O-N 2.9Å; G393-K395 VanDerWaalsContact C-N 3.3Å; G393-K395 PolarHBondContact O-N 3.45Å; K395-E398 WeakPolarHBondContact CD-OE2 3.5Å; K395-E398 IonicContact NZ-OE1 3.18Å; K395-E398 PolarHBondContact NZ-OE1 2.84Å; K395-E398 IonicContact NZ-OE2 3.82Å; K395-E398 PolarHBondContact NZ-OE2 3.34Å; K395-E398 WeakPolarHBondContact O-CB 2.95Å; K395-E398 PolarHBondContact O-N 3.37Å; K395-M399 WeakPolarHBondContact O-CG 3.31Å; K395-M399 PolarHBondContact O-N 3.36Å
396M98.8Very high98.5Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-64.9-41.3175.7-71.2-58.7-69.300111.8F342 C344 V392 G393 E398 M399 V400 V408 C410 I441F342-M396 HydrophobicContact CD1-SD 4.06Å; F342-M396 HydrophobicContact CE1-SD 3.93Å; C344-M396 HydrophobicContact CB-SD 3.93Å; V392-M396 WeakPolarHBondContact O-CG 3.24Å; V392-M396 PolarHBondContact O-N 3.13Å; G393-M396 PolarHBondContact O-N 3.18Å; M396-E398 VanDerWaalsContact C-N 3.34Å; M396-E398 PolarHBondContact O-N 3.48Å; M396-M399 PolarHBondContact O-N 2.87Å; M396-V400 WeakPolarHBondContact O-CB 3.32Å; M396-V400 VanDerWaalsContact O-CG2 3.27Å; M396-V400 WeakPolarHBondContact O-CG2 3.26Å; M396-V400 PolarHBondContact O-N 2.73Å; M396-V408 HydrophobicContact CE-CB 3.82Å; M396-V408 HydrophobicContact CE-CG2 3.69Å; M396-C410 HydrophobicContact CE-CB 4.04Å; M396-C410 HydrophobicContact CG-CB 3.65Å; M396-C410 HydrophobicContact SD-CB 3.73Å; M396-I441 HydrophobicContact CB-CD1 3.8Å; M396-I441 HydrophobicContact CB-CG1 3.85Å; M396-I441 HydrophobicContact CG-CD1 4.22Å
397V98.9Very high98.5Very high26 Ų2643.1 Ų43.116%0.15821%0.206CC..Hα-helixtrans-58-45.8173.2169.30000111.3G393 D394 M399 K401 L440 I441 A444G393-V397 WeakPolarHBondContact O-CG2 3.17Å; G393-V397 PolarHBondContact O-N 3.42Å; D394-V397 PolarHBondContact O-N 3.12Å; V397-M399 PolarHBondContact O-N 2.9Å; V397-K401 HydrophobicContact CG1-CD 3.97Å; V397-K401 HydrophobicContact CG1-CG 4.49Å; V397-K401 WeakPolarHBondContact O-CB 3.35Å; V397-K401 VanDerWaalsContact O-CG 3.29Å; V397-K401 WeakPolarHBondContact O-CG 3.37Å; V397-K401 PolarHBondContact O-N 3.47Å; V397-L440 HydrophobicContact CG2-CB 3.94Å; V397-L440 WeakPolarHBondContact CG2-O 3.41Å; V397-I441 HydrophobicContact CG2-CG1 4.44Å; V397-A444 HydrophobicContact CB-CB 4.22Å; V397-A444 HydrophobicContact CG1-CB 3.96Å; V397-A444 HydrophobicContact CG2-CB 3.97Å
398E98.7Very high98.5Very high104 Ų10443 Ų4349%0.48621%0.206SC..Hα-helixtrans-57.2-48.9176.2-172-159.5142.400111.3D394 K395 M396 K401 S402D394-E398 PolarHBondContact O-N 2.89Å; K395-E398 WeakPolarHBondContact CD-OE2 3.5Å; K395-E398 IonicContact NZ-OE1 3.18Å; K395-E398 PolarHBondContact NZ-OE1 2.84Å; K395-E398 IonicContact NZ-OE2 3.82Å; K395-E398 PolarHBondContact NZ-OE2 3.34Å; K395-E398 WeakPolarHBondContact O-CB 2.95Å; K395-E398 PolarHBondContact O-N 3.37Å; M396-E398 VanDerWaalsContact C-N 3.34Å; M396-E398 PolarHBondContact O-N 3.48Å; E398-K401 PolarHBondContact O-N 3.09Å; E398-S402 PolarHBondContact O-N 3.14Å
399M98.7Very high98.5Very high12 Ų1242.8 Ų42.86%0.05921%0.205CC..Hα-helixtrans-70.5-40.2-177.1-64.8-59.79300113.1F342 K395 M396 V397 S402 Y405F342-M399 HydrophobicContact CD1-CB 4.03Å; F342-M399 HydrophobicContact CD1-CG 3.67Å; F342-M399 HydrophobicContact CD2-CG 4.03Å; F342-M399 HydrophobicContact CD2-SD 4.03Å; F342-M399 HydrophobicContact CE1-CB 4.2Å; F342-M399 HydrophobicContact CE1-CG 3.46Å; F342-M399 VanDerWaalsContact CE1-CG 3.46Å; F342-M399 HydrophobicContact CE2-CG 3.86Å; F342-M399 HydrophobicContact CE2-SD 3.88Å; F342-M399 HydrophobicContact CG-CB 4.36Å; F342-M399 HydrophobicContact CG-CG 3.93Å; F342-M399 HydrophobicContact CG-SD 4.43Å; F342-M399 HydrophobicContact CZ-CG 3.56Å; F342-M399 HydrophobicContact CZ-SD 4.15Å; K395-M399 WeakPolarHBondContact O-CG 3.31Å; K395-M399 PolarHBondContact O-N 3.36Å; M396-M399 PolarHBondContact O-N 2.87Å; V397-M399 PolarHBondContact O-N 2.9Å; M399-S402 WeakPolarHBondContact O-CB 3.14Å; M399-S402 PolarHBondContact O-N 2.87Å; M399-S402 PolarHBondContact O-OG 2.71Å; M399-Y405 HydrophobicContact SD-CE2 3.8Å
400V98.7Very high98.5Very high0 Ų042.8 Ų42.80%020%0.204CC..Hα-helixtrans-60.7-46.9174169.10000110.5M396 S402 K403 V408 A444 Y450M396-V400 WeakPolarHBondContact O-CB 3.32Å; M396-V400 VanDerWaalsContact O-CG2 3.27Å; M396-V400 WeakPolarHBondContact O-CG2 3.26Å; M396-V400 PolarHBondContact O-N 2.73Å; V400-S402 VanDerWaalsContact C-N 3.25Å; V400-S402 PolarHBondContact O-N 3.14Å; V400-K403 PolarHBondContact O-N 2.73Å; V400-K403 VanDerWaalsContact O-N 3.14Å; V400-V408 HydrophobicContact CG2-CG2 3.75Å; V400-A444 HydrophobicContact CB-CB 4.39Å; V400-A444 HydrophobicContact CG1-CB 4.08Å; V400-A444 WeakPolarHBondContact CG1-O 3.49Å; V400-Y450 HydrophobicContact CG1-CD2 3.87Å; V400-Y450 HydrophobicContact CG1-CE2 4.2Å; V400-Y450 HydrophobicContact CG1-CG 4.12Å
401K98.5Very high98.5Very high105 Ų10536.6 Ų36.646%0.45718%0.177SC..Hα-helixtrans-66.8-25.6179.5-73-174.9174.3-160.30113.4V397 E398 K403 A444 E447V397-K401 HydrophobicContact CG1-CD 3.97Å; V397-K401 HydrophobicContact CG1-CG 4.49Å; V397-K401 WeakPolarHBondContact O-CB 3.35Å; V397-K401 VanDerWaalsContact O-CG 3.29Å; V397-K401 WeakPolarHBondContact O-CG 3.37Å; V397-K401 PolarHBondContact O-N 3.47Å; E398-K401 PolarHBondContact O-N 3.09Å; K401-K403 PolarHBondContact O-N 3.05Å; K401-A444 HydrophobicContact CG-CB 4.32Å; K401-E447 WeakPolarHBondContact CE-OE2 3.22Å; K401-E447 IonicContact NZ-OE2 3.69Å; K401-E447 PolarHBondContact NZ-OE2 3.18Å
402S98.2Very high98.5Very high58 Ų5832.2 Ų32.241%0.40616%0.157SC..Hα-helixtrans-65.8-23.817582.50000113.3E398 M399 V400 K404E398-S402 PolarHBondContact O-N 3.14Å; M399-S402 WeakPolarHBondContact O-CB 3.14Å; M399-S402 PolarHBondContact O-N 2.87Å; M399-S402 PolarHBondContact O-OG 2.71Å; V400-S402 VanDerWaalsContact C-N 3.25Å; V400-S402 PolarHBondContact O-N 3.14Å; S402-K404 PolarHBondContact O-N 2.89Å; S402-K404 WeakPolarHBondContact OG-CB 3.46Å; S402-K404 PolarHBondContact OG-N 2.95Å
403K97.1Very high98.5Very high134 Ų13432.2 Ų32.258%0.58316%0.157SC*.THydrogen-bonded Turntrans53.817.2-173.6-58.6-177.9177.5-174.90114.3V400 K401 S448V400-K403 PolarHBondContact O-N 2.73Å; V400-K403 VanDerWaalsContact O-N 3.14Å; K401-K403 PolarHBondContact O-N 3.05Å; K403-S448 WeakPolarHBondContact CE-O 3.46Å
404K97.2Very high98.5Very high99 Ų9932.2 Ų32.243%0.4316%0.157SC..  trans-75.8-29.6-177.2178.4179.9166.9-161.10112.9K340 E369 S402K340-K404 HydrophobicContact CD-CG 4.32Å; E369-K404 IonicContact OE2-NZ 3.59Å; E369-K404 PolarHBondContact OE2-NZ 2.96Å; S402-K404 PolarHBondContact O-N 2.89Å; S402-K404 WeakPolarHBondContact OG-CB 3.46Å; S402-K404 PolarHBondContact OG-N 2.95Å
405Y98.4Very high98.5Very high4 Ų429.1 Ų29.12%0.01614%0.14CC..  trans-118.2113.6-172.2-50.7-91.3000110.4K340 Q341 F342 E369 M399 F407 V408 Y450K340-Y405 HydrophobicContact CB-CD1 3.75Å; K340-Y405 HydrophobicContact CB-CE1 4.4Å; K340-Y405 HydrophobicContact CB-CG 4.48Å; Q341-Y405 VanDerWaalsContact C-CD1 3.47Å; Q341-Y405 WeakPolarHBondContact O-CD1 3.33Å; F342-Y405 HydrophobicContact CB-CD1 3.86Å; F342-Y405 HydrophobicContact CB-CD2 3.94Å; F342-Y405 HydrophobicContact CB-CE1 4.11Å; F342-Y405 HydrophobicContact CB-CE2 4.2Å; F342-Y405 HydrophobicContact CB-CG 3.78Å; F342-Y405 HydrophobicContact CD2-CE2 4.44Å; E369-Y405 HydrophobicContact CB-CE1 3.95Å; E369-Y405 PolarHBondContact OE1-OH 3.45Å; E369-Y405 PolarHBondContact OE2-OH 2.68Å; M399-Y405 HydrophobicContact SD-CE2 3.8Å; Y405-F407 WeakPolarHBondContact CB-O 3.4Å; Y405-F407 PolarHBondContact O-N 2.89Å; Y405-V408 HydrophobicContact CD2-CG1 4.5Å; Y405-V408 HydrophobicContact CG-CG1 4.42Å; Y405-Y450 WeakPolarHBondContact O-CE1 3.35Å; Y405-Y450 PolarHBondContact O-OH 3.47Å
406P98Very high98.5Very high24 Ų2427 Ų2716%0.15613%0.131CC..SBendtrans-61.3-22173.923.1-35.9000114.1V4 P7 V8 L339 K340 M512V4-P406 HydrophobicContact CB-CB 4.4Å; V4-P406 HydrophobicContact CG1-CB 4.06Å; V4-P406 HydrophobicContact CG2-CB 3.97Å; V4-P406 HydrophobicContact CG2-CG 4.45Å; P7-P406 CarbonylContact C-O 3.53Å; P7-P406 WeakPolarHBondContact CA-O 3.3Å; P7-P406 VanDerWaalsContact CB-O 3.27Å; P7-P406 WeakPolarHBondContact CB-O 3.42Å; V8-P406 PolarHBondContact N-O 3.09Å; L339-P406 HydrophobicContact CB-CG 4.05Å; L339-P406 HydrophobicContact CD2-CG 4.18Å; K340-P406 WeakPolarHBondContact O-CD 3.39Å; K340-P406 WeakPolarHBondContact O-CG 3.37Å; P406-M512 HydrophobicContact CB-CE 4.04Å
407F98.8Very high98.4Very high0 Ų028.3 Ų28.30%014%0.138CC..EExtended strand (participates in β ladder)trans-125.1130.8171.6179.2-109.5000110.2V8 L10 L330 L334 Q341 F342 H343 F357 Y405 M409 V508 M512V8-F407 HydrophobicContact CB-CD2 4.32Å; V8-F407 HydrophobicContact CG1-CD2 4.41Å; V8-F407 HydrophobicContact CG1-CE2 4.45Å; V8-F407 WeakPolarHBondContact O-CA 3.46Å; L10-F407 HydrophobicContact CB-CE2 3.92Å; L10-F407 HydrophobicContact CB-CZ 4.12Å; L10-F407 HydrophobicContact CD2-CZ 4.25Å; L330-F407 HydrophobicContact CD2-CE1 4.47Å; L330-F407 HydrophobicContact CD2-CE2 4.26Å; L330-F407 HydrophobicContact CD2-CZ 3.94Å; L334-F407 HydrophobicContact CD1-CB 3.7Å; L334-F407 HydrophobicContact CD1-CD1 3.47Å; L334-F407 VanDerWaalsContact CD1-CD1 3.47Å; L334-F407 HydrophobicContact CD1-CD2 4.44Å; L334-F407 HydrophobicContact CD1-CE1 4.21Å; L334-F407 HydrophobicContact CD1-CG 3.61Å; Q341-F407 VanDerWaalsContact CA-O 3.26Å; Q341-F407 WeakPolarHBondContact CA-O 3.4Å; Q341-F407 HydrophobicContact CB-CB 4.33Å; Q341-F407 HydrophobicContact CB-CD1 3.96Å; F342-F407 PolarHBondContact N-O 2.84Å; F342-F407 VanDerWaalsContact N-O 3.12Å; H343-F407 AromaticContact NE2-CE1 3.81Å; F357-F407 HydrophobicContact CE1-CE1 4.49Å; F357-F407 HydrophobicContact CZ-CE1 4.43Å; F357-F407 HydrophobicContact CZ-CZ 4.22Å; Y405-F407 WeakPolarHBondContact CB-O 3.4Å; Y405-F407 PolarHBondContact O-N 2.89Å; F407-M409 HydrophobicContact CE1-CB 4.06Å; F407-M409 HydrophobicContact CE1-CG 4.07Å; F407-M409 HydrophobicContact CE1-SD 4.23Å; F407-M409 HydrophobicContact CZ-CB 3.87Å; F407-M409 HydrophobicContact CZ-CG 4.31Å; F407-M409 HydrophobicContact CZ-SD 4.4Å; F407-V508 HydrophobicContact CD2-CG1 3.94Å; F407-V508 HydrophobicContact CE2-CG1 3.77Å; F407-M512 HydrophobicContact CB-CE 4.07Å; F407-M512 HydrophobicContact CB-SD 4.36Å; F407-M512 HydrophobicContact CD2-SD 4.42Å
408V98.8Very high98.4Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-132.3143.8171.1-57.10000109.2V8 C9 L10 F342 M396 V400 Y405 Y450V8-V408 PolarHBondContact O-N 3.45Å; C9-V408 CarbonylContact C-O 3.59Å; C9-V408 VanDerWaalsContact CA-O 3.3Å; C9-V408 WeakPolarHBondContact CA-O 3.43Å; C9-V408 HydrophobicContact CB-CG2 3.63Å; L10-V408 PolarHBondContact N-O 3.07Å; F342-V408 HydrophobicContact CB-CB 4.49Å; F342-V408 HydrophobicContact CB-CG1 4.06Å; F342-V408 CarbonylContact O-C 3.58Å; F342-V408 VanDerWaalsContact O-CA 3.31Å; F342-V408 WeakPolarHBondContact O-CA 3.31Å; M396-V408 HydrophobicContact CE-CB 3.82Å; M396-V408 HydrophobicContact CE-CG2 3.69Å; V400-V408 HydrophobicContact CG2-CG2 3.75Å; Y405-V408 HydrophobicContact CD2-CG1 4.5Å; Y405-V408 HydrophobicContact CG-CG1 4.42Å; V408-Y450 HydrophobicContact CG1-CE1 4.36Å; V408-Y450 HydrophobicContact CG2-CD1 4.37Å; V408-Y450 HydrophobicContact CG2-CE1 4.22Å
409M98.8Very high98.3Very high0 Ų022.1 Ų22.10%011%0.107CC..EExtended strand (participates in β ladder)trans-139.5151.7174.370.7168.9-63.300113.7L10 F342 H343 C344 V353 F357 F407L10-M409 HydrophobicContact CB-CB 4.11Å; L10-M409 CarbonylContact O-C 3.46Å; L10-M409 WeakPolarHBondContact O-CA 3.32Å; L10-M409 WeakPolarHBondContact O-CB 3.3Å; F342-M409 PolarHBondContact O-N 3.15Å; H343-M409 WeakPolarHBondContact CA-O 3.34Å; H343-M409 HydrophobicContact CB-CG 4.07Å; H343-M409 VanDerWaalsContact CE1-SD 3.56Å; H343-M409 PolarHBondContact ND1-SD 2.89Å; C344-M409 PolarHBondContact N-O 2.81Å; V353-M409 HydrophobicContact CB-CE 3.67Å; V353-M409 HydrophobicContact CB-SD 4.26Å; V353-M409 HydrophobicContact CG1-CE 3.59Å; F357-M409 HydrophobicContact CD1-SD 3.87Å; F357-M409 HydrophobicContact CD2-CE 3.79Å; F357-M409 HydrophobicContact CD2-SD 3.99Å; F357-M409 HydrophobicContact CE1-SD 3.62Å; F357-M409 HydrophobicContact CE2-CE 3.72Å; F357-M409 HydrophobicContact CE2-SD 3.73Å; F357-M409 HydrophobicContact CG-CE 4.26Å; F357-M409 HydrophobicContact CG-SD 4.03Å; F357-M409 HydrophobicContact CZ-CE 4.15Å; F357-M409 HydrophobicContact CZ-SD 3.51Å; F357-M409 VanDerWaalsContact CZ-SD 3.51Å; F407-M409 HydrophobicContact CE1-CB 4.06Å; F407-M409 HydrophobicContact CE1-CG 4.07Å; F407-M409 HydrophobicContact CE1-SD 4.23Å; F407-M409 HydrophobicContact CZ-CB 3.87Å; F407-M409 HydrophobicContact CZ-CG 4.31Å; F407-M409 HydrophobicContact CZ-SD 4.4Å
410C98.8Very high98.3Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-141.3163.5166.367.80000114.2L10 V12 C344 V392 M396L10-C410 PolarHBondContact O-N 2.93Å; V12-C410 PolarHBondContact N-O 3.27Å; C344-C410 HydrophobicContact CB-CB 4.44Å; C344-C410 WeakPolarHBondContact O-CA 3.48Å; C344-C410 WeakPolarHBondContact O-CB 3.49Å; V392-C410 HydrophobicContact CG1-CB 3.86Å; M396-C410 HydrophobicContact CE-CB 4.04Å; M396-C410 HydrophobicContact CG-CB 3.65Å; M396-C410 HydrophobicContact SD-CB 3.73Å
411N98.8Very high98.2Very high0 Ų026.7 Ų26.70%013%0.13CC..EExtended strand (participates in β ladder)trans-118.6133.4168.7-173.164.5000111.3V12 D14 H67 C344 A345 K349 V353V12-N411 CarbonylContact O-C 3.59Å; V12-N411 VanDerWaalsContact O-CA 3.25Å; V12-N411 WeakPolarHBondContact O-CA 3.46Å; V12-N411 PolarHBondContact O-OD1 2.75Å; D14-N411 PolarHBondContact OD2-ND2 2.82Å; D14-N411 VanDerWaalsContact OD2-ND2 3.09Å; H67-N411 PolarHBondContact CE1-OD1 2.96Å; H67-N411 PolarHBondContact NE2-OD1 3.23Å; C344-N411 PolarHBondContact O-N 2.82Å; A345-N411 HydrophobicContact CB-CB 4.21Å; K349-N411 WeakPolarHBondContact CB-ND2 3.45Å; V353-N411 HydrophobicContact CG1-CB 3.42Å; V353-N411 VanDerWaalsContact CG1-CB 3.42Å
412F98.8Very high98Very high0 Ų022 Ų220%011%0.111CC..EExtended strand (participates in β ladder)trans-100109169.5-73.2-64.1000110.2V11 V12 I13 D14 S389 V392 P414 T434 A437 I438 I441V11-F412 HydrophobicContact CG1-CD2 3.62Å; V11-F412 HydrophobicContact CG1-CE2 3.73Å; V12-F412 PolarHBondContact O-N 3.17Å; I13-F412 HydrophobicContact CG2-CB 4.42Å; D14-F412 VanDerWaalsContact CB-O 3.26Å; D14-F412 WeakPolarHBondContact CB-O 3.29Å; D14-F412 PolarHBondContact N-O 2.89Å; S389-F412 WeakPolarHBondContact O-CE1 3.35Å; V392-F412 HydrophobicContact CB-CE1 4Å; V392-F412 HydrophobicContact CG1-CD1 4.37Å; V392-F412 HydrophobicContact CG1-CE1 3.89Å; V392-F412 HydrophobicContact CG1-CZ 4.37Å; F412-P414 VanDerWaalsContact C-CD 3.42Å; F412-T434 HydrophobicContact CB-CG2 3.77Å; F412-T434 HydrophobicContact CD2-CG2 3.98Å; F412-T434 HydrophobicContact CG-CG2 3.89Å; F412-A437 HydrophobicContact CE1-CB 3.62Å; F412-A437 HydrophobicContact CE2-CB 4.38Å; F412-A437 HydrophobicContact CZ-CB 3.49Å; F412-A437 VanDerWaalsContact CZ-CB 3.49Å; F412-I438 HydrophobicContact CD2-CD1 4.42Å; F412-I438 HydrophobicContact CD2-CG1 4.09Å; F412-I438 HydrophobicContact CE2-CG1 3.7Å; F412-I441 HydrophobicContact CE2-CD1 3.92Å; F412-I441 HydrophobicContact CZ-CD1 3.77Å
413A98.3Very high98Very high0 Ų021.4 Ų21.40%011%0.106CC..  trans-72.8-28.1179.100000117.1E346 K349 M387 D416 M417E346-A413 HydrophobicContact CG-CB 3.95Å; K349-A413 HydrophobicContact CB-CB 4.32Å; K349-A413 HydrophobicContact CG-CB 3.48Å; K349-A413 VanDerWaalsContact CG-CB 3.48Å; M387-A413 HydrophobicContact CE-CB 4.4Å; A413-D416 PolarHBondContact O-N 3.38Å; A413-M417 HydrophobicContact CB-CG 3.87Å; A413-M417 WeakPolarHBondContact O-CG 3.46Å; A413-M417 PolarHBondContact O-N 2.8Å
414P98.5Very high98.1Very high0 Ų017.7 Ų17.70%09%0.088CC..Hα-helixtrans-62-41.1-161.9-33.743.2000118.2P385 M387 S389 F412 D416 M417 V418 A430P385-P414 WeakPolarHBondContact O-CB 3.36Å; M387-P414 HydrophobicContact CB-CG 3.82Å; M387-P414 HydrophobicContact CG-CB 4.27Å; M387-P414 HydrophobicContact CG-CG 3.96Å; M387-P414 HydrophobicContact SD-CB 4.04Å; M387-P414 HydrophobicContact SD-CG 3.83Å; S389-P414 WeakPolarHBondContact OG-CG 3.41Å; F412-P414 VanDerWaalsContact C-CD 3.42Å; P414-D416 PolarHBondContact O-N 3.25Å; P414-M417 PolarHBondContact O-N 2.82Å; P414-V418 VanDerWaalsContact O-CB 3.23Å; P414-V418 WeakPolarHBondContact O-CB 3.19Å; P414-V418 VanDerWaalsContact O-CG2 3.27Å; P414-V418 WeakPolarHBondContact O-CG2 3.39Å; P414-V418 PolarHBondContact O-N 3.06Å; P414-A430 HydrophobicContact CB-CB 3.83Å
415P98.6Very high98.1Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-57.7-40.8-179.3-23.334.7000111.7I13 D14 W16 G419 T434 A461I13-P415 HydrophobicContact CG2-CG 3.82Å; D14-P415 WeakPolarHBondContact O-CB 3.34Å; W16-P415 HydrophobicContact CE3-CB 4.31Å; W16-P415 HydrophobicContact CE3-CG 3.9Å; W16-P415 HydrophobicContact CZ3-CG 4.27Å; P415-G419 WeakPolarHBondContact O-CA 3.47Å; P415-G419 PolarHBondContact O-N 3.34Å; P415-T434 HydrophobicContact CG-CG2 4.44Å; P415-A461 HydrophobicContact CB-CB 4.02Å
416D98.5Very high98.1Very high1 Ų118.9 Ų18.91%0.00510%0.097CC..Hα-helixtrans-70.9-55.6173.8-176.353.3000113.8D14 K349 A413 P414 V418 G419 H420 H458 N460 H475D14-D416 HydrophobicContact CB-CB 3.73Å; D14-D416 PolarHBondContact O-N 3.17Å; D14-D416 VanDerWaalsContact O-N 3.12Å; D14-D416 WeakPolarHBondContact OD1-CB 3.48Å; K349-D416 IonicContact NZ-OD2 3.25Å; K349-D416 PolarHBondContact NZ-OD2 2.92Å; A413-D416 PolarHBondContact O-N 3.38Å; P414-D416 PolarHBondContact O-N 3.25Å; D416-V418 PolarHBondContact O-N 2.82Å; D416-G419 CarbonylContact O-C 3.54Å; D416-G419 WeakPolarHBondContact O-CA 3.45Å; D416-G419 PolarHBondContact O-N 2.99Å; D416-H420 PolarHBondContact O-N 3.42Å; D416-H420 IonicContact OD1-CD2 3.7Å; D416-H420 IonicContact OD1-NE2 2.65Å; D416-H420 IonicContact OD2-CD2 3.16Å; D416-H420 IonicContact OD2-NE2 3.98Å; D416-H458 IonicContact OD1-CE1 2.79Å; D416-H458 PolarHBondContact OD1-CE1 2.87Å; D416-H458 VanDerWaalsContact OD1-CE1 3.25Å; D416-N460 PolarHBondContact O-ND2 3.19Å; D416-N460 PolarHBondContact OD1-ND2 3.49Å; D416-H475 IonicContact OD1-CD2 2.68Å; D416-H475 IonicContact OD1-NE2 3.76Å; D416-H475 PolarHBondContact OD1-NE2 3.33Å
417M97.9Very high98.1Very high27 Ų2717.8 Ų17.813%0.1339%0.089CC..Hα-helixtrans-62.7-34.5-172.9-68.1-56.5-63.700112.3E348 K349 Y381 M387 A413 P414E348-M417 HydrophobicContact CB-CE 4.22Å; E348-M417 HydrophobicContact CB-SD 4.38Å; E348-M417 HydrophobicContact CG-CE 3.93Å; E348-M417 VanDerWaalsContact OE2-CE 3.3Å; E348-M417 WeakPolarHBondContact OE2-CE 3.43Å; K349-M417 WeakPolarHBondContact CE-SD 3.45Å; Y381-M417 HydrophobicContact CD2-CB 3.92Å; Y381-M417 HydrophobicContact CD2-CE 3.7Å; Y381-M417 HydrophobicContact CE2-CE 3.32Å; Y381-M417 HydrophobicContact CG-CB 4.37Å; M387-M417 HydrophobicContact CE-CB 3.9Å; M387-M417 HydrophobicContact CE-CG 3.93Å; M387-M417 HydrophobicContact SD-CB 3.54Å; M387-M417 VanDerWaalsContact SD-CB 3.54Å; M387-M417 HydrophobicContact SD-CG 4.11Å; A413-M417 HydrophobicContact CB-CG 3.87Å; A413-M417 WeakPolarHBondContact O-CG 3.46Å; A413-M417 PolarHBondContact O-N 2.8Å; P414-M417 PolarHBondContact O-N 2.82Å
418V98.3Very high98.1Very high0 Ų018.4 Ų18.40%09%0.093CC..Hα-helixtrans-80.8-34.3172.9-175.10000110.7D382 P385 M387 P414 D416 H420 T421 A426 A427 A430D382-V418 HydrophobicContact CB-CG1 4.46Å; P385-V418 HydrophobicContact CB-CG1 4.37Å; P385-V418 HydrophobicContact CB-CG2 4.2Å; M387-V418 HydrophobicContact SD-CG2 4.47Å; P414-V418 VanDerWaalsContact O-CB 3.23Å; P414-V418 WeakPolarHBondContact O-CB 3.19Å; P414-V418 VanDerWaalsContact O-CG2 3.27Å; P414-V418 WeakPolarHBondContact O-CG2 3.39Å; P414-V418 PolarHBondContact O-N 3.06Å; D416-V418 PolarHBondContact O-N 2.82Å; V418-H420 VanDerWaalsContact C-N 3.28Å; V418-H420 PolarHBondContact O-N 2.76Å; V418-T421 WeakPolarHBondContact O-CB 3.42Å; V418-T421 WeakPolarHBondContact O-CG2 3.47Å; V418-T421 PolarHBondContact O-N 2.97Å; V418-T421 PolarHBondContact O-OG1 3.45Å; V418-A426 VanDerWaalsContact CG1-C 3.43Å; V418-A426 HydrophobicContact CG1-CB 3.52Å; V418-A427 HydrophobicContact CG1-CB 4.3Å; V418-A430 HydrophobicContact CB-CB 3.94Å; V418-A430 HydrophobicContact CG1-CB 4.35Å; V418-A430 HydrophobicContact CG2-CB 3.82Å
419G97.4Very high98.1Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-52.4-44.2172.300000112.9P415 D416 T421 G422P415-G419 WeakPolarHBondContact O-CA 3.47Å; P415-G419 PolarHBondContact O-N 3.34Å; D416-G419 CarbonylContact O-C 3.54Å; D416-G419 WeakPolarHBondContact O-CA 3.45Å; D416-G419 PolarHBondContact O-N 2.99Å; G419-T421 PolarHBondContact O-N 3.36Å; G419-G422 PolarHBondContact O-N 2.88Å
420H97.3Very high98.1Very high77 Ų7724 Ų2436%0.35612%0.118SC..THydrogen-bonded Turntrans-58.9-18.9175.5-78.5-49000115.4D416 V418 G422 T473 H475D416-H420 PolarHBondContact O-N 3.42Å; D416-H420 IonicContact OD1-CD2 3.7Å; D416-H420 IonicContact OD1-NE2 2.65Å; D416-H420 IonicContact OD2-CD2 3.16Å; D416-H420 IonicContact OD2-NE2 3.98Å; V418-H420 VanDerWaalsContact C-N 3.28Å; V418-H420 PolarHBondContact O-N 2.76Å; H420-G422 VanDerWaalsContact C-N 3.32Å; H420-T473 PolarHBondContact ND1-O 3.2Å; H420-T473 WeakPolarHBondContact O-CB 3.37Å; H420-T473 WeakPolarHBondContact O-CG2 3.41Å; H420-H475 AromaticContact CE1-CD2 3.5Å; H420-H475 PolarHBondContact CE1-CD2 2.79Å; H420-H475 VanDerWaalsContact CE1-CD2 3.5Å; H420-H475 AromaticContact CE1-NE2 3.16Å; H420-H475 PolarHBondContact CE1-NE2 3.44Å; H420-H475 AromaticContact NE2-CD2 3.89Å; H420-H475 AromaticContact NE2-NE2 3.17Å; H420-H475 PolarHBondContact NE2-NE2 3.32Å; H420-H475 VanDerWaalsContact NE2-NE2 3.17Å
421T96.5Very high98.1Very high31 Ų3124 Ų2419%0.1912%0.118CC..THydrogen-bonded Turntrans-78.5-19.5176.173.40000112.7D382 V418 G419 V423D382-T421 HydrophobicContact CB-CG2 4.02Å; D382-T421 WeakPolarHBondContact OD1-CG2 3.39Å; V418-T421 WeakPolarHBondContact O-CB 3.42Å; V418-T421 WeakPolarHBondContact O-CG2 3.47Å; V418-T421 PolarHBondContact O-N 2.97Å; V418-T421 PolarHBondContact O-OG1 3.45Å; G419-T421 PolarHBondContact O-N 3.36Å; T421-V423 PolarHBondContact O-N 3.05Å; T421-V423 PolarHBondContact OG1-N 2.79Å; T421-V423 VanDerWaalsContact OG1-N 3.17Å
422G96Very high98.1Very high6 Ų626.3 Ų26.36%0.06213%0.128CC..THydrogen-bonded Turntrans63.318.4-172.900000113.7G419 H420 Y424 K471G419-G422 PolarHBondContact O-N 2.88Å; H420-G422 VanDerWaalsContact C-N 3.32Å; G422-Y424 PolarHBondContact O-N 3.29Å; G422-K471 WeakPolarHBondContact O-CD 3.48Å; G422-K471 VanDerWaalsContact O-CE 3.26Å; G422-K471 WeakPolarHBondContact O-CE 3.5Å
423V97.7Very high98.1Very high47 Ų4726.6 Ų26.629%0.28513%0.131SC..  trans-92.894.2174.6-177.30000108.5D382 T421 E425 A426 A427D382-V423 HydrophobicContact CB-CB 3.82Å; D382-V423 HydrophobicContact CB-CG1 4.24Å; D382-V423 HydrophobicContact CB-CG2 3.91Å; T421-V423 PolarHBondContact O-N 3.05Å; T421-V423 PolarHBondContact OG1-N 2.79Å; T421-V423 VanDerWaalsContact OG1-N 3.17Å; V423-E425 PolarHBondContact O-N 3.12Å; V423-A426 HydrophobicContact CB-CB 3.99Å; V423-A426 HydrophobicContact CG1-CB 3.76Å; V423-A426 WeakPolarHBondContact O-CB 3.31Å; V423-A426 PolarHBondContact O-N 3.41Å; V423-A427 PolarHBondContact O-N 3.27Å
424Y97.8Very high98.2Very high55 Ų5526.6 Ų26.622%0.21613%0.131CC..Hα-helixtrans-49.9-52.7-174.1177.3-100.4000113.9A26 H29 G422 A426 A427 V428 M464A26-Y424 HydrophobicContact CB-CD2 4.35Å; A26-Y424 HydrophobicContact CB-CE2 4.14Å; H29-Y424 WeakPolarHBondContact CB-OH 3.47Å; H29-Y424 PolarHBondContact CD2-OH 3.07Å; G422-Y424 PolarHBondContact O-N 3.29Å; Y424-A426 PolarHBondContact O-N 3.47Å; Y424-A427 WeakPolarHBondContact O-CB 3.29Å; Y424-A427 PolarHBondContact O-N 2.51Å; Y424-V428 HydrophobicContact CD1-CG2 4.35Å; Y424-V428 HydrophobicContact CE1-CG2 3.93Å; Y424-V428 HydrophobicContact CE2-CG2 4.38Å; Y424-V428 WeakPolarHBondContact O-CG2 3.42Å; Y424-V428 PolarHBondContact O-N 2.96Å; Y424-M464 HydrophobicContact CD2-CB 3.93Å; Y424-M464 HydrophobicContact CD2-CG 4.22Å
425E98.3Very high98.2Very high123 Ų12326.8 Ų26.858%0.57513%0.131SC*.Hα-helixtrans-61.9-28.6-179.4-62.7-58147.300113.4V423 K429V423-E425 PolarHBondContact O-N 3.12Å; E425-K429 WeakPolarHBondContact O-CG 3.36Å; E425-K429 PolarHBondContact O-N 3.08Å
426A98.5Very high98.2Very high6 Ų633.5 Ų33.55%0.0516%0.157CC..Hα-helixtrans-73.7-43.6174.300000110.6D382 P385 V418 V423 Y424 V428 K429 A430D382-A426 HydrophobicContact CB-CB 3.58Å; P385-A426 HydrophobicContact CB-CB 4.26Å; P385-A426 VanDerWaalsContact CB-O 3.23Å; P385-A426 WeakPolarHBondContact CB-O 3.08Å; P385-A426 HydrophobicContact CG-CB 3.74Å; V418-A426 VanDerWaalsContact CG1-C 3.43Å; V418-A426 HydrophobicContact CG1-CB 3.52Å; V423-A426 HydrophobicContact CB-CB 3.99Å; V423-A426 HydrophobicContact CG1-CB 3.76Å; V423-A426 WeakPolarHBondContact O-CB 3.31Å; V423-A426 PolarHBondContact O-N 3.41Å; Y424-A426 PolarHBondContact O-N 3.47Å; A426-V428 VanDerWaalsContact C-N 3.28Å; A426-V428 PolarHBondContact O-N 3.02Å; A426-K429 PolarHBondContact O-N 3.23Å; A426-K429 VanDerWaalsContact O-N 3.13Å; A426-A430 PolarHBondContact O-N 3.07Å
427A98.6Very high98.2Very high0 Ų033.6 Ų33.60%016%0.158CC..Hα-helixtrans-61.2-37177.300000112A26 V418 V423 Y424 A430 C431 M464A26-A427 HydrophobicContact CB-CB 3.74Å; V418-A427 HydrophobicContact CG1-CB 4.3Å; V423-A427 PolarHBondContact O-N 3.27Å; Y424-A427 WeakPolarHBondContact O-CB 3.29Å; Y424-A427 PolarHBondContact O-N 2.51Å; A427-A430 WeakPolarHBondContact O-CB 3.41Å; A427-A430 PolarHBondContact O-N 3.33Å; A427-C431 PolarHBondContact O-N 3.42Å; A427-C431 PolarHBondContact O-SG 3.18Å; A427-M464 HydrophobicContact CB-CE 3.69Å; A427-M464 HydrophobicContact CB-CG 4.42Å; A427-M464 HydrophobicContact CB-SD 4.04Å
428V98.7Very high98.3Very high13 Ų1332.3 Ų32.38%0.07915%0.151CC..Hα-helixtrans-56.6-52.8171.81720000110.4A26 A30 Y424 A426 A430 C431 E432A26-V428 HydrophobicContact CB-CG2 3.94Å; A30-V428 HydrophobicContact CB-CG1 4.06Å; Y424-V428 HydrophobicContact CD1-CG2 4.35Å; Y424-V428 HydrophobicContact CE1-CG2 3.93Å; Y424-V428 HydrophobicContact CE2-CG2 4.38Å; Y424-V428 WeakPolarHBondContact O-CG2 3.42Å; Y424-V428 PolarHBondContact O-N 2.96Å; A426-V428 VanDerWaalsContact C-N 3.28Å; A426-V428 PolarHBondContact O-N 3.02Å; V428-A430 VanDerWaalsContact C-N 3.28Å; V428-A430 PolarHBondContact O-N 3Å; V428-C431 WeakPolarHBondContact O-CB 3.37Å; V428-C431 PolarHBondContact O-N 3.36Å; V428-C431 VanDerWaalsContact O-N 3.17Å; V428-E432 WeakPolarHBondContact O-CG 3.44Å; V428-E432 PolarHBondContact O-N 3.41Å
429K98.8Very high98.3Very high119 Ų11933.1 Ų33.152%0.51716%0.16SC..Hα-helixtrans-61.4-34.6177.9-69.8174.3-177.5176.40113.3P385 E425 A426 E432 A433P385-K429 HydrophobicContact CB-CB 3.98Å; P385-K429 HydrophobicContact CG-CB 4.3Å; P385-K429 HydrophobicContact CG-CD 4.5Å; E425-K429 WeakPolarHBondContact O-CG 3.36Å; E425-K429 PolarHBondContact O-N 3.08Å; A426-K429 PolarHBondContact O-N 3.23Å; A426-K429 VanDerWaalsContact O-N 3.13Å; K429-E432 PolarHBondContact O-N 3.2Å; K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 3.4Å
430A98.8Very high98.3Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-64.4-42.6176.300000111.7P385 P414 V418 A426 A427 V428 A433 T434P385-A430 HydrophobicContact CB-CB 4.18Å; P385-A430 WeakPolarHBondContact O-CA 3.48Å; P385-A430 VanDerWaalsContact O-CB 3.27Å; P385-A430 WeakPolarHBondContact O-CB 3.42Å; P414-A430 HydrophobicContact CB-CB 3.83Å; V418-A430 HydrophobicContact CB-CB 3.94Å; V418-A430 HydrophobicContact CG1-CB 4.35Å; V418-A430 HydrophobicContact CG2-CB 3.82Å; A426-A430 PolarHBondContact O-N 3.07Å; A427-A430 WeakPolarHBondContact O-CB 3.41Å; A427-A430 PolarHBondContact O-N 3.33Å; V428-A430 VanDerWaalsContact C-N 3.28Å; V428-A430 PolarHBondContact O-N 3Å; A430-A433 PolarHBondContact O-N 2.72Å; A430-T434 WeakPolarHBondContact O-CB 3.39Å; A430-T434 PolarHBondContact O-N 3.27Å; A430-T434 PolarHBondContact O-OG1 2.97Å
431C98.8Very high98.4Very high0 Ų033.3 Ų33.30%016%0.163CC..Hα-helixtrans-63.9-45.2175-63.40000111.4W16 A30 T32 A427 V428 A433 T434 D435W16-C431 HydrophobicContact CH2-CB 4.24Å; W16-C431 HydrophobicContact CZ3-CB 3.88Å; A30-C431 HydrophobicContact CB-CB 3.6Å; T32-C431 HydrophobicContact CG2-CB 4.39Å; A427-C431 PolarHBondContact O-N 3.42Å; A427-C431 PolarHBondContact O-SG 3.18Å; V428-C431 WeakPolarHBondContact O-CB 3.37Å; V428-C431 PolarHBondContact O-N 3.36Å; V428-C431 VanDerWaalsContact O-N 3.17Å; C431-A433 VanDerWaalsContact C-N 3.35Å; C431-A433 PolarHBondContact O-N 3.49Å; C431-T434 WeakPolarHBondContact O-CB 2.92Å; C431-T434 PolarHBondContact O-N 2.59Å; C431-D435 PolarHBondContact O-N 2.96Å
432E98.9Very high98.5Very high48 Ų4833.3 Ų33.322%0.22416%0.161CC..Hα-helixtrans-62.4-38.8176.4-63.5179.9161.500112.9A30 A31 V428 K429 T434 R436A30-E432 HydrophobicContact CB-CG 3.83Å; A31-E432 HydrophobicContact CB-CG 4.24Å; A31-E432 PolarHBondContact N-OE1 3.21Å; V428-E432 WeakPolarHBondContact O-CG 3.44Å; V428-E432 PolarHBondContact O-N 3.41Å; K429-E432 PolarHBondContact O-N 3.2Å; E432-T434 VanDerWaalsContact C-N 3.34Å; E432-R436 WeakPolarHBondContact O-CG 3.36Å; E432-R436 PolarHBondContact O-N 3.17Å; E432-R436 VanDerWaalsContact O-N 3.1Å; E432-R436 PolarHBondContact O-NH1 3.24Å
433A98.8Very high98.7Very high6 Ų638.9 Ų38.95%0.0518%0.183CC..Hα-helixtrans-66.1-39.5176.900000112.1E386 K429 A430 C431 R436 A437E386-A433 HydrophobicContact CB-CB 3.61Å; K429-A433 WeakPolarHBondContact O-CB 3.39Å; K429-A433 PolarHBondContact O-N 3.4Å; A430-A433 PolarHBondContact O-N 2.72Å; C431-A433 VanDerWaalsContact C-N 3.35Å; C431-A433 PolarHBondContact O-N 3.49Å; A433-R436 VanDerWaalsContact CA-NH2 3.3Å; A433-A437 PolarHBondContact O-N 3.2Å
434T98.9Very high98.7Very high0 Ų036.7 Ų36.70%017%0.17CC..Hα-helixtrans-64.4-47.1175.4-61.30000110.8I13 W16 F412 P415 A430 C431 E432 R436 A437 I438I13-T434 HydrophobicContact CG1-CG2 4.47Å; I13-T434 HydrophobicContact CG2-CG2 3.85Å; W16-T434 HydrophobicContact CZ3-CG2 4.34Å; F412-T434 HydrophobicContact CB-CG2 3.77Å; F412-T434 HydrophobicContact CD2-CG2 3.98Å; F412-T434 HydrophobicContact CG-CG2 3.89Å; P415-T434 HydrophobicContact CG-CG2 4.44Å; A430-T434 WeakPolarHBondContact O-CB 3.39Å; A430-T434 PolarHBondContact O-N 3.27Å; A430-T434 PolarHBondContact O-OG1 2.97Å; C431-T434 WeakPolarHBondContact O-CB 2.92Å; C431-T434 PolarHBondContact O-N 2.59Å; E432-T434 VanDerWaalsContact C-N 3.34Å; T434-R436 PolarHBondContact O-N 2.86Å; T434-A437 PolarHBondContact O-N 3.33Å; T434-A437 VanDerWaalsContact O-N 3.12Å; T434-I438 HydrophobicContact CG2-CD1 3.89Å; T434-I438 HydrophobicContact CG2-CG1 4.49Å; T434-I438 WeakPolarHBondContact O-CG1 3.29Å; T434-I438 PolarHBondContact O-N 2.87Å
435D98.9Very high98.8Very high3 Ų334.1 Ų34.12%0.01616%0.16CC..Hα-helixtrans-57.3-45177-176.786.5000112.6T32 P33 V34 M35 C431 A437 I438 G439T32-D435 WeakPolarHBondContact CA-OD1 3.41Å; T32-D435 WeakPolarHBondContact CB-OD1 3.4Å; T32-D435 HydrophobicContact CG2-CB 3.92Å; P33-D435 WeakPolarHBondContact CD-OD2 3.38Å; V34-D435 WeakPolarHBondContact CA-OD1 3.34Å; V34-D435 WeakPolarHBondContact CB-OD1 3.36Å; V34-D435 PolarHBondContact N-OD1 3.11Å; V34-D435 PolarHBondContact N-OD2 2.98Å; M35-D435 WeakPolarHBondContact CB-OD1 3.32Å; M35-D435 WeakPolarHBondContact CG-OD1 3.35Å; M35-D435 PolarHBondContact N-OD1 2.93Å; C431-D435 PolarHBondContact O-N 2.96Å; D435-A437 VanDerWaalsContact C-N 3.33Å; D435-A437 PolarHBondContact O-N 2.95Å; D435-I438 PolarHBondContact O-N 3.37Å; D435-G439 PolarHBondContact O-N 2.86Å
436R98.8Very high98.7Very high141 Ų14136.1 Ų36.153%0.53217%0.169SC..Hα-helixtrans-59.2-43.1175.4-73.7-174-63.6-915112.2E432 A433 T434 G439 L440E432-R436 WeakPolarHBondContact O-CG 3.36Å; E432-R436 PolarHBondContact O-N 3.17Å; E432-R436 VanDerWaalsContact O-N 3.1Å; E432-R436 PolarHBondContact O-NH1 3.24Å; A433-R436 VanDerWaalsContact CA-NH2 3.3Å; T434-R436 PolarHBondContact O-N 2.86Å; R436-G439 PolarHBondContact O-N 2.92Å; R436-L440 WeakPolarHBondContact O-CG 3.28Å; R436-L440 PolarHBondContact O-N 3.3Å
437A98.9Very high98.7Very high3 Ų340.6 Ų40.63%0.02519%0.19CC..Hα-helixtrans-66.2-40.3178.500000111.7S389 F412 A433 T434 D435 G439 L440 I441S389-A437 WeakPolarHBondContact O-CB 3.48Å; F412-A437 HydrophobicContact CE1-CB 3.62Å; F412-A437 HydrophobicContact CE2-CB 4.38Å; F412-A437 HydrophobicContact CZ-CB 3.49Å; F412-A437 VanDerWaalsContact CZ-CB 3.49Å; A433-A437 PolarHBondContact O-N 3.2Å; T434-A437 PolarHBondContact O-N 3.33Å; T434-A437 VanDerWaalsContact O-N 3.12Å; D435-A437 VanDerWaalsContact C-N 3.33Å; D435-A437 PolarHBondContact O-N 2.95Å; A437-G439 VanDerWaalsContact C-N 3.34Å; A437-G439 PolarHBondContact O-N 2.98Å; A437-L440 WeakPolarHBondContact O-CB 3.42Å; A437-L440 PolarHBondContact O-N 3.42Å; A437-I441 WeakPolarHBondContact O-CG1 3.23Å; A437-I441 PolarHBondContact O-N 2.84Å; A437-I441 VanDerWaalsContact O-N 3.13Å
438I98.9Very high98.7Very high0 Ų041.3 Ų41.30%019%0.194CC..Hα-helixtrans-61.6-41.8174.1-68.5171.1000111V11 I13 V34 M35 L38 F412 T434 D435 L440 I441 E442 I454V11-I438 HydrophobicContact CG1-CD1 4.43Å; V11-I438 HydrophobicContact CG1-CG1 4.29Å; I13-I438 HydrophobicContact CD1-CD1 3.47Å; I13-I438 VanDerWaalsContact CD1-CD1 3.47Å; I13-I438 HydrophobicContact CG1-CD1 4.02Å; V34-I438 HydrophobicContact CG1-CG2 3.98Å; M35-I438 HydrophobicContact CG-CD1 4.25Å; M35-I438 HydrophobicContact SD-CD1 3.76Å; M35-I438 HydrophobicContact SD-CG2 4.26Å; L38-I438 HydrophobicContact CD1-CG2 4.46Å; F412-I438 HydrophobicContact CD2-CD1 4.42Å; F412-I438 HydrophobicContact CD2-CG1 4.09Å; F412-I438 HydrophobicContact CE2-CG1 3.7Å; T434-I438 HydrophobicContact CG2-CD1 3.89Å; T434-I438 HydrophobicContact CG2-CG1 4.49Å; T434-I438 WeakPolarHBondContact O-CG1 3.29Å; T434-I438 PolarHBondContact O-N 2.87Å; D435-I438 PolarHBondContact O-N 3.37Å; I438-L440 VanDerWaalsContact C-N 3.29Å; I438-L440 PolarHBondContact O-N 3.23Å; I438-I441 PolarHBondContact O-N 3.17Å; I438-I441 VanDerWaalsContact O-N 3.13Å; I438-E442 WeakPolarHBondContact O-CB 3.33Å; I438-E442 PolarHBondContact O-N 3.16Å; I438-I454 HydrophobicContact CG2-CD1 3.62Å
439G98.8Very high98.7Very high17 Ų1743 Ų4318%0.17521%0.214CC..Hα-helixtrans-59.7-36.7175.900000113.7D435 R436 A437 K443D435-G439 PolarHBondContact O-N 2.86Å; R436-G439 PolarHBondContact O-N 2.92Å; A437-G439 VanDerWaalsContact C-N 3.34Å; A437-G439 PolarHBondContact O-N 2.98Å; G439-K443 PolarHBondContact O-N 3.28Å
440L98.8Very high98.7Very high82 Ų8237.9 Ų37.943%0.42919%0.192SC..Hα-helixtrans-66.5-43.4174-64174.3000111.5V397 R436 A437 I438 A444V397-L440 HydrophobicContact CG2-CB 3.94Å; V397-L440 WeakPolarHBondContact CG2-O 3.41Å; R436-L440 WeakPolarHBondContact O-CG 3.28Å; R436-L440 PolarHBondContact O-N 3.3Å; A437-L440 WeakPolarHBondContact O-CB 3.42Å; A437-L440 PolarHBondContact O-N 3.42Å; I438-L440 VanDerWaalsContact C-N 3.29Å; I438-L440 PolarHBondContact O-N 3.23Å; L440-A444 PolarHBondContact O-N 2.81Å; L440-A444 VanDerWaalsContact O-N 3.11Å
441I98.9Very high98.7Very high0 Ų038.4 Ų38.40%020%0.195CC..Hα-helixtrans-64.8-45.4177.9-66.3170.8000110.9V11 M396 V397 F412 A437 I438 K443 A444 C445 L452V11-I441 HydrophobicContact CG2-CD1 4.23Å; V11-I441 HydrophobicContact CG2-CG2 4.35Å; M396-I441 HydrophobicContact CB-CD1 3.8Å; M396-I441 HydrophobicContact CB-CG1 3.85Å; M396-I441 HydrophobicContact CG-CD1 4.22Å; V397-I441 HydrophobicContact CG2-CG1 4.44Å; F412-I441 HydrophobicContact CE2-CD1 3.92Å; F412-I441 HydrophobicContact CZ-CD1 3.77Å; A437-I441 WeakPolarHBondContact O-CG1 3.23Å; A437-I441 PolarHBondContact O-N 2.84Å; A437-I441 VanDerWaalsContact O-N 3.13Å; I438-I441 PolarHBondContact O-N 3.17Å; I438-I441 VanDerWaalsContact O-N 3.13Å; I441-K443 PolarHBondContact O-N 2.93Å; I441-A444 PolarHBondContact O-N 2.75Å; I441-A444 VanDerWaalsContact O-N 3.16Å; I441-C445 PolarHBondContact O-N 3.4Å; I441-C445 PolarHBondContact O-SG 3.09Å; I441-L452 HydrophobicContact CG2-CD1 4.03Å
442E98.7Very high98.7Very high31 Ų3138.5 Ų38.515%0.14520%0.195CC..Hα-helixtrans-56.9-49.7178.4-176.9-161.2-153.400111.1R37 L38 I438 A444 C445 Q446 L452R37-E442 IonicContact CZ-OE1 2.71Å; R37-E442 VanDerWaalsContact CZ-OE1 3.27Å; R37-E442 IonicContact CZ-OE2 3.98Å; R37-E442 IonicContact NH1-OE1 2.72Å; R37-E442 PolarHBondContact NH1-OE1 3.07Å; R37-E442 IonicContact NH1-OE2 3.91Å; R37-E442 IonicContact NH2-OE1 3.45Å; R37-E442 PolarHBondContact NH2-OE1 3.44Å; R37-E442 IonicContact NH2-OE2 3.79Å; R37-E442 PolarHBondContact NH2-OE2 2.72Å; L38-E442 WeakPolarHBondContact CD2-OE1 3.22Å; I438-E442 WeakPolarHBondContact O-CB 3.33Å; I438-E442 PolarHBondContact O-N 3.16Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.1Å; E442-C445 WeakPolarHBondContact O-CB 3.42Å; E442-C445 PolarHBondContact O-N 3.11Å; E442-C445 VanDerWaalsContact O-N 3.14Å; E442-Q446 PolarHBondContact O-N 3.42Å; E442-L452 HydrophobicContact CB-CD2 3.7Å; E442-L452 HydrophobicContact CG-CD2 4.05Å
443K98.7Very high98.7Very high123 Ų12336.2 Ų36.254%0.53519%0.185SC..Hα-helixtrans-58-44.4176.5-178.3175.8176.9177.70111.5G439 I441 C445 Q446 E447G439-K443 PolarHBondContact O-N 3.28Å; I441-K443 PolarHBondContact O-N 2.93Å; K443-C445 VanDerWaalsContact C-N 3.33Å; K443-C445 PolarHBondContact O-N 3.45Å; K443-Q446 PolarHBondContact O-N 2.79Å; K443-E447 WeakPolarHBondContact CE-OE1 3.31Å; K443-E447 WeakPolarHBondContact O-CB 3.49Å; K443-E447 VanDerWaalsContact O-CG 3.3Å; K443-E447 WeakPolarHBondContact O-CG 3.17Å; K443-E447 PolarHBondContact O-N 3.49Å
444A98.8Very high98.7Very high1 Ų136 Ų361%0.00818%0.183CC..Hα-helixtrans-64.3-37.5177.600000112.6V397 V400 K401 L440 I441 E442 E447 S448V397-A444 HydrophobicContact CB-CB 4.22Å; V397-A444 HydrophobicContact CG1-CB 3.96Å; V397-A444 HydrophobicContact CG2-CB 3.97Å; V400-A444 HydrophobicContact CB-CB 4.39Å; V400-A444 HydrophobicContact CG1-CB 4.08Å; V400-A444 WeakPolarHBondContact CG1-O 3.49Å; K401-A444 HydrophobicContact CG-CB 4.32Å; L440-A444 PolarHBondContact O-N 2.81Å; L440-A444 VanDerWaalsContact O-N 3.11Å; I441-A444 PolarHBondContact O-N 2.75Å; I441-A444 VanDerWaalsContact O-N 3.16Å; E442-A444 VanDerWaalsContact C-N 3.31Å; E442-A444 PolarHBondContact O-N 3.1Å; A444-E447 PolarHBondContact O-N 3.21Å; A444-S448 WeakPolarHBondContact O-CB 3.31Å; A444-S448 PolarHBondContact O-N 3.35Å; A444-S448 PolarHBondContact O-OG 3.25Å
445C98.8Very high98.7Very high1 Ų136 Ų361%0.00718%0.183CC..Hα-helixtrans-64.7-46.4176.2-700000111C9 I441 E442 K443 E447 S448 G449 Y450 L452C9-C445 VanDerWaalsContact CB-SG 3.53Å; I441-C445 PolarHBondContact O-N 3.4Å; I441-C445 PolarHBondContact O-SG 3.09Å; E442-C445 WeakPolarHBondContact O-CB 3.42Å; E442-C445 PolarHBondContact O-N 3.11Å; E442-C445 VanDerWaalsContact O-N 3.14Å; K443-C445 VanDerWaalsContact C-N 3.33Å; K443-C445 PolarHBondContact O-N 3.45Å; C445-E447 PolarHBondContact O-N 3.39Å; C445-S448 CarbonylContact O-C 3.48Å; C445-S448 PolarHBondContact O-N 3.44Å; C445-G449 PolarHBondContact O-N 2.85Å; C445-Y450 PolarHBondContact O-N 2.93Å; C445-L452 HydrophobicContact CB-CB 4.28Å
446Q98.2Very high98.6Very high164 Ų16435.9 Ų35.977%0.76618%0.182SC*.Hα-helixtrans-59.2-46.6175.9-172.9-176.512.500111.7E442 K443 S448E442-Q446 PolarHBondContact O-N 3.42Å; K443-Q446 PolarHBondContact O-N 2.79Å; Q446-S448 VanDerWaalsContact C-N 3.28Å; Q446-S448 PolarHBondContact O-N 3.1Å
447E98.3Very high98.6Very high101 Ų10129.1 Ų29.147%0.47216%0.157SC..Hα-helixtrans-65.2-30.6178.2-72.2172179.700112.7K401 K443 A444 C445K401-E447 WeakPolarHBondContact CE-OE2 3.22Å; K401-E447 IonicContact NZ-OE2 3.69Å; K401-E447 PolarHBondContact NZ-OE2 3.18Å; K443-E447 WeakPolarHBondContact CE-OE1 3.31Å; K443-E447 WeakPolarHBondContact O-CB 3.49Å; K443-E447 VanDerWaalsContact O-CG 3.3Å; K443-E447 WeakPolarHBondContact O-CG 3.17Å; K443-E447 PolarHBondContact O-N 3.49Å; A444-E447 PolarHBondContact O-N 3.21Å; C445-E447 PolarHBondContact O-N 3.39Å
448S98.3Very high98.6Very high14 Ų1429 Ų2910%0.09816%0.155CC..Hα-helixtrans-102-6.6-172.8-54.50000114.4K403 A444 C445 Q446K403-S448 WeakPolarHBondContact CE-O 3.46Å; A444-S448 WeakPolarHBondContact O-CB 3.31Å; A444-S448 PolarHBondContact O-N 3.35Å; A444-S448 PolarHBondContact O-OG 3.25Å; C445-S448 CarbonylContact O-C 3.48Å; C445-S448 PolarHBondContact O-N 3.44Å; Q446-S448 VanDerWaalsContact C-N 3.28Å; Q446-S448 PolarHBondContact O-N 3.1Å
449G97.6Very high98.5Very high48 Ų4829 Ų2950%0.49516%0.155SC..THydrogen-bonded Turntrans79.825.8-179.900000114.6P7 C445P7-G449 WeakPolarHBondContact CD-O 3.34Å; P7-G449 WeakPolarHBondContact CG-O 3.5Å; C445-G449 PolarHBondContact O-N 2.85Å
450Y98.7Very high98.5Very high13 Ų1328.2 Ų28.25%0.05115%0.147CC..PPolyproline II helixtrans-89.3142.5174.1-76.2-118.6000110.4P7 C9 V400 Y405 V408 C445P7-Y450 HydrophobicContact CB-CD1 3.72Å; P7-Y450 HydrophobicContact CB-CD2 4.22Å; P7-Y450 HydrophobicContact CB-CE1 3.6Å; P7-Y450 HydrophobicContact CB-CE2 4.11Å; P7-Y450 HydrophobicContact CB-CG 4.02Å; P7-Y450 HydrophobicContact CG-CD1 4.1Å; P7-Y450 HydrophobicContact CG-CD2 3.76Å; P7-Y450 HydrophobicContact CG-CE1 4.23Å; P7-Y450 HydrophobicContact CG-CE2 3.89Å; P7-Y450 HydrophobicContact CG-CG 3.86Å; P7-Y450 WeakPolarHBondContact O-CA 3.45Å; C9-Y450 HydrophobicContact CB-CD1 4.34Å; V400-Y450 HydrophobicContact CG1-CD2 3.87Å; V400-Y450 HydrophobicContact CG1-CE2 4.2Å; V400-Y450 HydrophobicContact CG1-CG 4.12Å; Y405-Y450 WeakPolarHBondContact O-CE1 3.35Å; Y405-Y450 PolarHBondContact O-OH 3.47Å; V408-Y450 HydrophobicContact CG1-CE1 4.36Å; V408-Y450 HydrophobicContact CG2-CD1 4.37Å; V408-Y450 HydrophobicContact CG2-CE1 4.22Å; C445-Y450 PolarHBondContact O-N 2.93Å
451V98.5Very high98.5Very high11 Ų1124.3 Ų24.37%0.06713%0.127CC..EExtended strand (participates in β ladder)trans-81.4120.9163.3174.30000107.8Q6 P7 V8 C9 M453 Q511Q6-V451 HydrophobicContact CB-CG2 4.31Å; P7-V451 PolarHBondContact O-N 3.49Å; V8-V451 WeakPolarHBondContact CA-O 3.22Å; V8-V451 HydrophobicContact CG2-CB 4.43Å; C9-V451 PolarHBondContact N-O 2.88Å; V451-M453 HydrophobicContact CG1-CE 4.32Å; V451-M453 HydrophobicContact CG1-CG 4.3Å; V451-Q511 HydrophobicContact CB-CG 4.06Å; V451-Q511 HydrophobicContact CG1-CG 3.98Å; V451-Q511 HydrophobicContact CG2-CG 4.14Å
452L98.8Very high98.4Very high1 Ų124.4 Ų24.41%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-86.2128.2173176.561.7000108.5C9 V11 I441 E442 C445 I454 S484 T485C9-L452 HydrophobicContact CB-CD1 4.17Å; C9-L452 WeakPolarHBondContact O-CA 3.35Å; V11-L452 HydrophobicContact CG2-CD1 3.76Å; I441-L452 HydrophobicContact CG2-CD1 4.03Å; E442-L452 HydrophobicContact CB-CD2 3.7Å; E442-L452 HydrophobicContact CG-CD2 4.05Å; C445-L452 HydrophobicContact CB-CB 4.28Å; L452-I454 HydrophobicContact CD1-CG1 4.11Å; L452-I454 HydrophobicContact CD2-CD1 3.97Å; L452-I454 HydrophobicContact CD2-CG1 4.22Å; L452-I454 HydrophobicContact CG-CD1 4.22Å; L452-I454 HydrophobicContact CG-CG1 3.91Å; L452-S484 CarbonylContact O-C 3.36Å; L452-S484 WeakPolarHBondContact O-CA 3.18Å; L452-T485 HydrophobicContact CB-CG2 3.98Å; L452-T485 HydrophobicContact CD2-CG2 4.49Å; L452-T485 PolarHBondContact N-OG1 2.88Å; L452-T485 PolarHBondContact O-N 3.41Å; L452-T485 PolarHBondContact O-OG1 3.28Å
453M98.8Very high98.4Very high0 Ų026.6 Ų26.60%014%0.136CC..EExtended strand (participates in β ladder)trans-120136.8169.6-68.6-178.5168.500108.9V8 C9 L10 V11 V451 F482 L483 T507 V508 Q511 L526V8-M453 HydrophobicContact CG1-CG 4.4Å; V8-M453 HydrophobicContact CG1-SD 4.16Å; C9-M453 PolarHBondContact O-N 2.97Å; L10-M453 CarbonylContact C-O 3.46Å; L10-M453 WeakPolarHBondContact CA-O 3.44Å; L10-M453 HydrophobicContact CD1-CB 4.04Å; V11-M453 PolarHBondContact N-O 3.38Å; V451-M453 HydrophobicContact CG1-CE 4.32Å; V451-M453 HydrophobicContact CG1-CG 4.3Å; M453-F482 HydrophobicContact CB-CE2 4.15Å; M453-F482 HydrophobicContact SD-CE2 4.47Å; M453-F482 HydrophobicContact SD-CZ 4.15Å; M453-L483 VanDerWaalsContact CA-O 3.24Å; M453-L483 WeakPolarHBondContact CA-O 3.46Å; M453-T507 HydrophobicContact CE-CG2 3.94Å; M453-T507 HydrophobicContact SD-CG2 4.47Å; M453-V508 HydrophobicContact SD-CG2 3.86Å; M453-Q511 HydrophobicContact CE-CB 3.65Å; M453-Q511 HydrophobicContact CE-CG 3.77Å; M453-L526 HydrophobicContact CE-CD2 4.47Å
454I98.9Very high98.3Very high2 Ų221 Ų211%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-130.2130.5-177.2-49.8176000108.8V11 I13 M35 L38 I438 L452 F482 L483V11-I454 HydrophobicContact CB-CG1 4.29Å; V11-I454 HydrophobicContact CB-CG2 4.32Å; V11-I454 HydrophobicContact CG1-CG2 4.36Å; V11-I454 CarbonylContact O-C 3.58Å; V11-I454 VanDerWaalsContact O-CA 3.29Å; V11-I454 WeakPolarHBondContact O-CA 3.32Å; I13-I454 HydrophobicContact CD1-CG2 3.72Å; I13-I454 HydrophobicContact CG1-CG2 4.09Å; M35-I454 HydrophobicContact CE-CG2 4.13Å; M35-I454 HydrophobicContact SD-CD1 4Å; M35-I454 HydrophobicContact SD-CG2 4.28Å; L38-I454 HydrophobicContact CD1-CD1 3.56Å; I438-I454 HydrophobicContact CG2-CD1 3.62Å; L452-I454 HydrophobicContact CD1-CG1 4.11Å; L452-I454 HydrophobicContact CD2-CD1 3.97Å; L452-I454 HydrophobicContact CD2-CG1 4.22Å; L452-I454 HydrophobicContact CG-CD1 4.22Å; L452-I454 HydrophobicContact CG-CG1 3.91Å; I454-F482 CarbonylContact O-C 3.35Å; I454-F482 VanDerWaalsContact O-CA 3.29Å; I454-F482 WeakPolarHBondContact O-CA 3.45Å; I454-L483 HydrophobicContact CB-CB 4.19Å; I454-L483 HydrophobicContact CB-CD1 4.36Å; I454-L483 HydrophobicContact CB-CG 4.43Å; I454-L483 HydrophobicContact CD1-CD1 4.49Å; I454-L483 PolarHBondContact N-O 3.27Å; I454-L483 PolarHBondContact O-N 3.07Å
455T98.8Very high98.2Very high0 Ų024.7 Ų24.70%013%0.128CC..EExtended strand (participates in β ladder)trans-137.4175.2170.3-169.90000111L10 V11 V12 I13 I70 P481 V504L10-T455 HydrophobicContact CD1-CG2 4.46Å; V11-T455 PolarHBondContact O-N 2.96Å; V12-T455 CarbonylContact C-O 3.6Å; V12-T455 VanDerWaalsContact CA-O 3.29Å; V12-T455 WeakPolarHBondContact CA-O 3.39Å; V12-T455 HydrophobicContact CG1-CG2 4.44Å; V12-T455 HydrophobicContact CG2-CG2 4.02Å; I13-T455 PolarHBondContact N-O 2.73Å; I70-T455 HydrophobicContact CD1-CG2 4Å; T455-P481 WeakPolarHBondContact CA-O 3.27Å; T455-P481 PolarHBondContact OG1-O 3.49Å; T455-P481 VanDerWaalsContact OG1-O 3.11Å; T455-V504 HydrophobicContact CG2-CG2 4.42Å
456A98.7Very high97.9Very high0 Ų027.5 Ų27.50%014%0.143CC..EExtended strand (participates in β ladder)trans-114.6169.6157.200000111.2I13 W16 V480 L501I13-A456 WeakPolarHBondContact O-CA 3.32Å; I13-A456 WeakPolarHBondContact O-CB 3.16Å; W16-A456 HydrophobicContact CB-CB 3.87Å; W16-A456 VanDerWaalsContact O-CB 3.29Å; W16-A456 WeakPolarHBondContact O-CB 3.34Å; A456-V480 HydrophobicContact CB-CB 3.79Å; A456-V480 HydrophobicContact CB-CG1 3.7Å; A456-V480 WeakPolarHBondContact O-CG2 3.36Å; A456-L501 VanDerWaalsContact O-CD2 3.22Å; A456-L501 WeakPolarHBondContact O-CD2 3.22Å
457D98.1Very high97.6Very high0 Ų028.9 Ų28.90%015%0.149CC..SBendtrans-101.4-25.2178.458.5-8.4000112.9V12 D14 S63 H67 I70 L501V12-D457 HydrophobicContact CG1-CB 4.01Å; D14-D457 WeakPolarHBondContact CA-OD1 3.01Å; S63-D457 WeakPolarHBondContact CA-OD2 3.48Å; S63-D457 VanDerWaalsContact CB-OD2 3.24Å; S63-D457 WeakPolarHBondContact CB-OD2 3.31Å; H67-D457 IonicContact CE1-OD2 3.88Å; H67-D457 PolarHBondContact CE1-OD2 2.96Å; H67-D457 IonicContact ND1-OD2 3.53Å; H67-D457 PolarHBondContact ND1-OD2 2.76Å; H67-D457 VanDerWaalsContact ND1-OD2 3.12Å; I70-D457 HydrophobicContact CD1-CB 4.38Å; D457-L501 VanDerWaalsContact O-CD1 3.32Å; D457-L501 WeakPolarHBondContact O-CD1 3.22Å
458H98.4Very high97.2Very high0 Ų033.5 Ų33.50%017%0.168CC..SBendtrans-164.1177168.358.693.2000111.2D14 G15 W16 N62 S63 D416 H475D14-H458 IonicContact OD1-CD2 3.56Å; D14-H458 IonicContact OD1-CE1 3.59Å; D14-H458 IonicContact OD1-NE2 2.67Å; D14-H458 PolarHBondContact OD1-NE2 3.47Å; D14-H458 VanDerWaalsContact OD1-NE2 3.13Å; G15-H458 CarbonylContact C-O 3.57Å; G15-H458 VanDerWaalsContact CA-O 3.28Å; G15-H458 WeakPolarHBondContact CA-O 3.25Å; G15-H458 PolarHBondContact N-O 3.46Å; W16-H458 PolarHBondContact N-O 3.04Å; W16-H458 VanDerWaalsContact N-O 3.12Å; N62-H458 VanDerWaalsContact CA-CD2 3.43Å; N62-H458 WeakPolarHBondContact CA-CD2 3.33Å; S63-H458 PolarHBondContact N-CD2 3.15Å; S63-H458 VanDerWaalsContact N-CD2 3.31Å; S63-H458 PolarHBondContact N-NE2 3.12Å; S63-H458 PolarHBondContact OG-NE2 3.38Å; S63-H458 VanDerWaalsContact OG-NE2 3.16Å; D416-H458 IonicContact OD1-CE1 2.79Å; D416-H458 PolarHBondContact OD1-CE1 2.87Å; D416-H458 VanDerWaalsContact OD1-CE1 3.25Å; H458-H475 AromaticContact CE1-CD2 3.39Å; H458-H475 PolarHBondContact CE1-CD2 2.78Å; H458-H475 AromaticContact CE1-CE1 3.37Å; H458-H475 PolarHBondContact CE1-CE1 3Å; H458-H475 AromaticContact CE1-CG 3.53Å; H458-H475 AromaticContact CE1-ND1 3.52Å; H458-H475 AromaticContact CE1-NE2 3.35Å; H458-H475 PolarHBondContact CE1-NE2 3.19Å; H458-H475 VanDerWaalsContact CE1-NE2 3.35Å; H458-H475 AromaticContact ND1-CD2 3.68Å; H458-H475 AromaticContact ND1-CE1 3.97Å; H458-H475 AromaticContact ND1-CG 3.44Å; H458-H475 AromaticContact ND1-ND1 3.64Å; H458-H475 AromaticContact NE2-CE1 3.62Å; H458-H475 AromaticContact NE2-ND1 3.91Å; H458-H475 AromaticContact NE2-NE2 3.95Å
459G98Very high96.8Very high0 Ų035.3 Ų35.30%019%0.189CC..BIsolated β-bridgetrans-94.1153.7170.300000113.4E462 H475 T476G459-E462 WeakPolarHBondContact CA-OE1 3.31Å; G459-E462 WeakPolarHBondContact CA-OE2 3.32Å; G459-H475 VanDerWaalsContact O-CA 3.28Å; G459-H475 WeakPolarHBondContact O-CA 3.38Å; G459-H475 WeakPolarHBondContact O-CB 3.36Å; G459-T476 WeakPolarHBondContact CA-OG1 3.44Å; G459-T476 PolarHBondContact O-N 3.35Å
460N97.9Very high96.6Very high0 Ų034.4 Ų34.40%018%0.179CC..  trans-161.8-63.6172.1-171-14000109.7G15 D416 E462 K463G15-N460 PolarHBondContact O-N 2.97Å; D416-N460 PolarHBondContact O-ND2 3.19Å; D416-N460 PolarHBondContact OD1-ND2 3.49Å; N460-E462 VanDerWaalsContact C-OE2 3.3Å; N460-E462 PolarHBondContact N-OE2 3.48Å; N460-E462 PolarHBondContact O-N 3.42Å; N460-E462 VanDerWaalsContact O-N 3.14Å; N460-K463 CarbonylContact O-C 3.57Å; N460-K463 PolarHBondContact O-N 3.05Å
461A98.3Very high96.4Very high0 Ų040.1 Ų40.10%021%0.205CC..THydrogen-bonded Turntrans-67.1-19.2-170.400000114.4G15 A26 I27 P415 K463G15-A461 WeakPolarHBondContact O-CB 3.42Å; G15-A461 PolarHBondContact O-N 2.86Å; A26-A461 WeakPolarHBondContact CB-O 3.44Å; A26-A461 PolarHBondContact N-O 2.9Å; I27-A461 HydrophobicContact CD1-CB 4.14Å; I27-A461 HydrophobicContact CG1-CB 3.87Å; P415-A461 HydrophobicContact CB-CB 4.02Å; A461-K463 PolarHBondContact O-N 2.98Å
462E98.2Very high96.2Very high2 Ų241.4 Ų41.41%0.00921%0.21CC..THydrogen-bonded Turntrans-73.3-9.5174.280.9-67.8170.500113.5G17 N25 I27 G459 N460 T476 N478G17-E462 VanDerWaalsContact CA-CD 3.46Å; G17-E462 VanDerWaalsContact CA-OE2 3.29Å; G17-E462 WeakPolarHBondContact CA-OE2 3.43Å; G17-E462 PolarHBondContact N-OE2 3.06Å; G17-E462 WeakPolarHBondContact O-CB 3.38Å; N25-E462 WeakPolarHBondContact CA-O 3.46Å; N25-E462 WeakPolarHBondContact CB-O 3.32Å; N25-E462 WeakPolarHBondContact OD1-CA 3.47Å; I27-E462 HydrophobicContact CD1-CB 3.89Å; G459-E462 WeakPolarHBondContact CA-OE1 3.31Å; G459-E462 WeakPolarHBondContact CA-OE2 3.32Å; N460-E462 VanDerWaalsContact C-OE2 3.3Å; N460-E462 PolarHBondContact N-OE2 3.48Å; N460-E462 PolarHBondContact O-N 3.42Å; N460-E462 VanDerWaalsContact O-N 3.14Å; E462-T476 VanDerWaalsContact OE1-CB 3.31Å; E462-T476 WeakPolarHBondContact OE1-CB 3.33Å; E462-T476 WeakPolarHBondContact OE1-CG2 3.36Å; E462-T476 PolarHBondContact OE1-OG1 3.31Å; E462-N478 VanDerWaalsContact CG-ND2 3.34Å; E462-N478 WeakPolarHBondContact CG-ND2 3.39Å; E462-N478 PolarHBondContact OE1-ND2 3.13Å
463K97.8Very high96Very high77 Ų7744.2 Ų44.234%0.33523%0.227SC..  trans-141.491.9176.6-174.6-176.6177.8174.70110.7N460 A461 H472 T476N460-K463 CarbonylContact O-C 3.57Å; N460-K463 PolarHBondContact O-N 3.05Å; A461-K463 PolarHBondContact O-N 2.98Å; K463-H472 WeakPolarHBondContact O-CB 3.48Å; K463-H472 PolarHBondContact O-CD2 3.34Å; K463-T476 HydrophobicContact CB-CG2 3.82Å; K463-T476 HydrophobicContact CD-CG2 4.07Å
464M97.3Very high95.7Very high6 Ų646.2 Ų46.23%0.0324%0.243CC..  trans-99.6-1.9177-63.1-68.9-67.300113.5G24 A26 Y424 A427 H472G24-M464 VanDerWaalsContact O-CB 3.25Å; G24-M464 WeakPolarHBondContact O-CB 3.31Å; G24-M464 PolarHBondContact O-N 3.17Å; A26-M464 HydrophobicContact CB-CG 4.04Å; Y424-M464 HydrophobicContact CD2-CB 3.93Å; Y424-M464 HydrophobicContact CD2-CG 4.22Å; A427-M464 HydrophobicContact CB-CE 3.69Å; A427-M464 HydrophobicContact CB-CG 4.42Å; A427-M464 HydrophobicContact CB-SD 4.04Å; M464-H472 PolarHBondContact O-N 2.83Å
465K95.7Very high95.6Very high79 Ų7947.5 Ų47.534%0.34325%0.249SC..BIsolated β-bridgetrans-123.6140177.5-69-178.1-176.9174.20111.9D23 G470D23-K465 IonicContact OD1-NZ 3.5Å; D23-K465 PolarHBondContact OD1-NZ 3.01Å; D23-K465 IonicContact OD2-NZ 2.74Å; K465-G470 CarbonylContact C-O 3.58Å; K465-G470 VanDerWaalsContact CA-O 3.29Å; K465-G470 WeakPolarHBondContact CA-O 3.47Å
466D93.2Very high95.5Very high59 Ų5948 Ų4832%0.31625%0.253SS..  trans-84.1174.5169.673.727000111.7K468 G469 G470D466-K468 PolarHBondContact O-N 3.37Å; D466-K468 VanDerWaalsContact O-N 3.12Å; D466-K468 VanDerWaalsContact OD1-C 3.31Å; D466-K468 VanDerWaalsContact OD1-CA 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.49Å; D466-K468 WeakPolarHBondContact OD1-CB 3.49Å; D466-K468 PolarHBondContact OD1-N 2.97Å; D466-G469 PolarHBondContact O-N 3.23Å; D466-G469 PolarHBondContact OD1-N 2.92Å; D466-G470 PolarHBondContact N-O 3.11Å; D466-G470 WeakPolarHBondContact OD1-CA 3.44Å; D466-G470 PolarHBondContact OD1-N 3.25Å
467E90.4Very high95.4Very high193 Ų19350.4 Ų50.490%0.90227%0.268SS*.THydrogen-bonded Turntrans-62.5-18.8-178.8-62.4174.5-17900113.9
468K90.6Very high95.4Very high198 Ų19852.7 Ų52.786%0.86128%0.281SS*.THydrogen-bonded Turntrans-96.83.2177.5-60.2179-178.8174.90112D466 G470D466-K468 PolarHBondContact O-N 3.37Å; D466-K468 VanDerWaalsContact O-N 3.12Å; D466-K468 VanDerWaalsContact OD1-C 3.31Å; D466-K468 VanDerWaalsContact OD1-CA 3.26Å; D466-K468 WeakPolarHBondContact OD1-CA 3.49Å; D466-K468 WeakPolarHBondContact OD1-CB 3.49Å; D466-K468 PolarHBondContact OD1-N 2.97Å; K468-G470 VanDerWaalsContact C-N 3.25Å; K468-G470 PolarHBondContact O-N 3.01Å
469G89.8Confident95.4Very high52 Ų5256.3 Ų56.354%0.53630%0.296SS..SBendtrans778-17500000114.2D466D466-G469 PolarHBondContact O-N 3.23Å; D466-G469 PolarHBondContact OD1-N 2.92Å
470G93.1Very high95.4Very high29 Ų2956.3 Ų56.330%0.29930%0.296SS..PPolyproline II helixtrans-73.4171.3171.700000112.1K465 D466 K468 H472K465-G470 CarbonylContact C-O 3.58Å; K465-G470 VanDerWaalsContact CA-O 3.29Å; K465-G470 WeakPolarHBondContact CA-O 3.47Å; D466-G470 PolarHBondContact N-O 3.11Å; D466-G470 WeakPolarHBondContact OD1-CA 3.44Å; D466-G470 PolarHBondContact OD1-N 3.25Å; K468-G470 VanDerWaalsContact C-N 3.25Å; K468-G470 PolarHBondContact O-N 3.01Å; G470-H472 PolarHBondContact O-N 3.01Å
471K94.9Very high95.5Very high134 Ų13456.6 Ų56.658%0.58330%0.298SS*.BIsolated β-bridgetrans-67.9129.8177.4-67-178169.2-165.10110.4G422 T473G422-K471 WeakPolarHBondContact O-CD 3.48Å; G422-K471 VanDerWaalsContact O-CE 3.26Å; G422-K471 WeakPolarHBondContact O-CE 3.5Å; K471-T473 HydrophobicContact CB-CG2 4.43Å
472H94.7Very high95.5Very high37 Ų3756.6 Ų56.617%0.17130%0.298CS..PPolyproline II helixtrans-100.8125.4164.4-166.277.2000108.9K463 M464 G470 A474K463-H472 WeakPolarHBondContact O-CB 3.48Å; K463-H472 PolarHBondContact O-CD2 3.34Å; M464-H472 PolarHBondContact O-N 2.83Å; G470-H472 PolarHBondContact O-N 3.01Å; H472-A474 PolarHBondContact CD2-O 3.04Å; H472-A474 VanDerWaalsContact CD2-O 3.27Å; H472-A474 PolarHBondContact NE2-O 2.93Å; H472-A474 VanDerWaalsContact NE2-O 3.12Å
473T94.9Very high95.5Very high61 Ų6156.7 Ų56.737%0.37430%0.299SS..  trans-127.84.3-177.664.30000112.3H420 K471H420-T473 PolarHBondContact ND1-O 3.2Å; H420-T473 WeakPolarHBondContact O-CB 3.37Å; H420-T473 WeakPolarHBondContact O-CG2 3.41Å; K471-T473 HydrophobicContact CB-CG2 4.43Å
474A93.2Very high95.5Very high41 Ų4153.4 Ų53.434%0.33929%0.285SS..SBendtrans-96.7160.7-179.800000109.8H472H472-A474 PolarHBondContact CD2-O 3.04Å; H472-A474 VanDerWaalsContact CD2-O 3.27Å; H472-A474 PolarHBondContact NE2-O 2.93Å; H472-A474 VanDerWaalsContact NE2-O 3.12Å
475H96.7Very high95.6Very high30 Ų3056 Ų5614%0.13930%0.302CS..  trans-68.5160.8171.6-49.5163.6000110.8M60 G61 N62 D416 H420 H458 G459M60-H475 HydrophobicContact CB-CB 4.03Å; M60-H475 HydrophobicContact CG-CB 3.91Å; G61-H475 WeakPolarHBondContact O-CB 3.43Å; G61-H475 PolarHBondContact O-ND1 2.76Å; N62-H475 WeakPolarHBondContact CA-ND1 3.38Å; D416-H475 IonicContact OD1-CD2 2.68Å; D416-H475 IonicContact OD1-NE2 3.76Å; D416-H475 PolarHBondContact OD1-NE2 3.33Å; H420-H475 AromaticContact CE1-CD2 3.5Å; H420-H475 PolarHBondContact CE1-CD2 2.79Å; H420-H475 VanDerWaalsContact CE1-CD2 3.5Å; H420-H475 AromaticContact CE1-NE2 3.16Å; H420-H475 PolarHBondContact CE1-NE2 3.44Å; H420-H475 AromaticContact NE2-CD2 3.89Å; H420-H475 AromaticContact NE2-NE2 3.17Å; H420-H475 PolarHBondContact NE2-NE2 3.32Å; H420-H475 VanDerWaalsContact NE2-NE2 3.17Å; H458-H475 AromaticContact CE1-CD2 3.39Å; H458-H475 PolarHBondContact CE1-CD2 2.78Å; H458-H475 AromaticContact CE1-CE1 3.37Å; H458-H475 PolarHBondContact CE1-CE1 3Å; H458-H475 AromaticContact CE1-CG 3.53Å; H458-H475 AromaticContact CE1-ND1 3.52Å; H458-H475 AromaticContact CE1-NE2 3.35Å; H458-H475 PolarHBondContact CE1-NE2 3.19Å; H458-H475 VanDerWaalsContact CE1-NE2 3.35Å; H458-H475 AromaticContact ND1-CD2 3.68Å; H458-H475 AromaticContact ND1-CE1 3.97Å; H458-H475 AromaticContact ND1-CG 3.44Å; H458-H475 AromaticContact ND1-ND1 3.64Å; H458-H475 AromaticContact NE2-CE1 3.62Å; H458-H475 AromaticContact NE2-ND1 3.91Å; H458-H475 AromaticContact NE2-NE2 3.95Å; G459-H475 VanDerWaalsContact O-CA 3.28Å; G459-H475 WeakPolarHBondContact O-CA 3.38Å; G459-H475 WeakPolarHBondContact O-CB 3.36Å
476T96.6Very high95.6Very high11 Ų1152.8 Ų52.87%0.06729%0.291CS..BIsolated β-bridgetrans-108.9171.7179.874.30000112.2M60 G459 E462 K463 N478M60-T476 WeakPolarHBondContact CB-O 3.47Å; G459-T476 WeakPolarHBondContact CA-OG1 3.44Å; G459-T476 PolarHBondContact O-N 3.35Å; E462-T476 VanDerWaalsContact OE1-CB 3.31Å; E462-T476 WeakPolarHBondContact OE1-CB 3.33Å; E462-T476 WeakPolarHBondContact OE1-CG2 3.36Å; E462-T476 PolarHBondContact OE1-OG1 3.31Å; K463-T476 HydrophobicContact CB-CG2 3.82Å; K463-T476 HydrophobicContact CD-CG2 4.07Å; T476-N478 VanDerWaalsContact C-N 3.34Å; T476-N478 WeakPolarHBondContact OG1-CB 3.34Å; T476-N478 PolarHBondContact OG1-N 2.9Å; T476-N478 PolarHBondContact OG1-ND2 2.97Å
477C96.9Very high95.7Very high49 Ų4954.9 Ų54.933%0.33131%0.31SS..  trans-96.616.2169.7-62.80000112.4H49 G58H49-C477 HydrophobicContact CB-CB 4.12Å; H49-C477 PolarHBondContact CE1-O 3.29Å; H49-C477 PolarHBondContact ND1-O 3.44Å; H49-C477 VanDerWaalsContact ND1-O 3.11Å; G58-C477 PolarHBondContact O-SG 3.11Å
478N97.7Very high96Very high49 Ų4949 Ų4926%0.26228%0.28SS..  trans-69.2154.8179.4-71.3-27.8000110.8I18 E462 T476I18-N478 WeakPolarHBondContact O-CB 3.4Å; E462-N478 VanDerWaalsContact CG-ND2 3.34Å; E462-N478 WeakPolarHBondContact CG-ND2 3.39Å; E462-N478 PolarHBondContact OE1-ND2 3.13Å; T476-N478 VanDerWaalsContact C-N 3.34Å; T476-N478 WeakPolarHBondContact OG1-CB 3.34Å; T476-N478 PolarHBondContact OG1-N 2.9Å; T476-N478 PolarHBondContact OG1-ND2 2.97Å
479K98.2Very high96.3Very high75 Ų7543 Ų4333%0.32626%0.259SS..  trans-66.6163168.7-65.4-179.7-175.7177.30110.6G17 I18 E45 L46 E47G17-K479 CarbonylContact C-O 3.57Å; G17-K479 WeakPolarHBondContact CA-O 3.42Å; I18-K479 PolarHBondContact N-O 3.13Å; E45-K479 HydrophobicContact CB-CB 4.3Å; E45-K479 HydrophobicContact CB-CD 3.82Å; E45-K479 WeakPolarHBondContact OE2-CD 3.48Å; E45-K479 IonicContact OE2-NZ 3.15Å; E45-K479 PolarHBondContact OE2-NZ 3.29Å; E45-K479 VanDerWaalsContact OE2-NZ 3.15Å; L46-K479 VanDerWaalsContact O-CA 3.29Å; L46-K479 WeakPolarHBondContact O-CA 3.43Å; L46-K479 WeakPolarHBondContact O-CB 3.35Å; E47-K479 WeakPolarHBondContact OE1-CE 3.43Å
480V98.7Very high96.7Very high0 Ų040.8 Ų40.80%024%0.235CC..EExtended strand (participates in β ladder)trans-119.7152.7176.5-65.30000111.1E45 L46 A48 A456 L501E45-V480 CarbonylContact C-O 3.56Å; E45-V480 WeakPolarHBondContact CA-O 3.45Å; L46-V480 HydrophobicContact CB-CG2 3.79Å; L46-V480 PolarHBondContact N-O 2.88Å; L46-V480 PolarHBondContact O-N 3.26Å; A48-V480 HydrophobicContact CB-CB 4.43Å; A48-V480 HydrophobicContact CB-CG1 3.75Å; A48-V480 HydrophobicContact CB-CG2 3.88Å; A456-V480 HydrophobicContact CB-CB 3.79Å; A456-V480 HydrophobicContact CB-CG1 3.7Å; A456-V480 WeakPolarHBondContact O-CG2 3.36Å; V480-L501 HydrophobicContact CG2-CD2 3.8Å
481P98.4Very high96.8Very high6 Ų642.5 Ų42.54%0.03923%0.234CC..EExtended strand (participates in β ladder)trans-69.5151177.529.9-34.9000110.8W16 I18 T455 L483W16-P481 VanDerWaalsContact O-CD 3.24Å; W16-P481 WeakPolarHBondContact O-CD 3.4Å; I18-P481 HydrophobicContact CD1-CB 4.25Å; T455-P481 WeakPolarHBondContact CA-O 3.27Å; T455-P481 PolarHBondContact OG1-O 3.49Å; T455-P481 VanDerWaalsContact OG1-O 3.11Å; P481-L483 HydrophobicContact CB-CD2 4.09Å; P481-L483 HydrophobicContact CB-CG 4.26Å
482F98.7Very high96.7Very high0 Ų040.1 Ų40.10%024%0.24CC..EExtended strand (participates in β ladder)trans-132.7113159.4-175.7-138.1000109.8H43 S44 L46 M453 I454 L490 V504 T507 L525H43-F482 CarbonylContact C-O 3.5Å; H43-F482 VanDerWaalsContact CA-O 3.3Å; H43-F482 WeakPolarHBondContact CA-O 3.24Å; S44-F482 PolarHBondContact N-O 2.87Å; S44-F482 PolarHBondContact O-N 3.17Å; L46-F482 HydrophobicContact CD1-CB 3.71Å; L46-F482 HydrophobicContact CD1-CD1 4.42Å; L46-F482 HydrophobicContact CD1-CG 4.01Å; L46-F482 HydrophobicContact CD2-CB 4Å; L46-F482 HydrophobicContact CD2-CD1 4.29Å; L46-F482 HydrophobicContact CD2-CG 4.45Å; L46-F482 HydrophobicContact CG-CB 3.67Å; L46-F482 HydrophobicContact CG-CG 4.38Å; M453-F482 HydrophobicContact CB-CE2 4.15Å; M453-F482 HydrophobicContact SD-CE2 4.47Å; M453-F482 HydrophobicContact SD-CZ 4.15Å; I454-F482 CarbonylContact O-C 3.35Å; I454-F482 VanDerWaalsContact O-CA 3.29Å; I454-F482 WeakPolarHBondContact O-CA 3.45Å; F482-L490 HydrophobicContact CD1-CD1 4.06Å; F482-L490 HydrophobicContact CD1-CD2 3.96Å; F482-L490 HydrophobicContact CE1-CD1 4.45Å; F482-L490 HydrophobicContact CE1-CD2 3.7Å; F482-L490 HydrophobicContact CG-CD1 4.45Å; F482-L490 VanDerWaalsContact O-CD1 3.25Å; F482-L490 WeakPolarHBondContact O-CD1 3.29Å; F482-V504 HydrophobicContact CD2-CG2 4.45Å; F482-V504 HydrophobicContact CE2-CG1 4.13Å; F482-V504 HydrophobicContact CE2-CG2 4.2Å; F482-V504 HydrophobicContact CZ-CG1 4.29Å; F482-V504 HydrophobicContact CZ-CG2 4.35Å; F482-T507 HydrophobicContact CE1-CG2 3.75Å; F482-T507 HydrophobicContact CZ-CG2 3.87Å; F482-L525 HydrophobicContact CD1-CD1 3.68Å; F482-L525 HydrophobicContact CE1-CD1 3.9Å
483L98.6Very high96.7Very high4 Ų441.6 Ų41.62%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-115.3150.5-170-45.2-179.8000109.8M35 L38 H43 M453 I454 P481M35-L483 HydrophobicContact CE-CD1 3.63Å; M35-L483 HydrophobicContact SD-CD1 4.22Å; L38-L483 HydrophobicContact CB-CD1 3.82Å; H43-L483 HydrophobicContact CB-CD2 3.43Å; H43-L483 VanDerWaalsContact CB-CD2 3.43Å; M453-L483 VanDerWaalsContact CA-O 3.24Å; M453-L483 WeakPolarHBondContact CA-O 3.46Å; I454-L483 HydrophobicContact CB-CB 4.19Å; I454-L483 HydrophobicContact CB-CD1 4.36Å; I454-L483 HydrophobicContact CB-CG 4.43Å; I454-L483 HydrophobicContact CD1-CD1 4.49Å; I454-L483 PolarHBondContact N-O 3.27Å; I454-L483 PolarHBondContact O-N 3.07Å; P481-L483 HydrophobicContact CB-CD2 4.09Å; P481-L483 HydrophobicContact CB-CG 4.26Å
484S98.4Very high96.7Very high8 Ų839.5 Ų39.56%0.05625%0.245CC..EExtended strand (participates in β ladder)trans-142138.8173.1-173.30000112.5N42 L452 G486N42-S484 WeakPolarHBondContact CB-O 3.17Å; N42-S484 PolarHBondContact O-N 2.84Å; L452-S484 CarbonylContact O-C 3.36Å; L452-S484 WeakPolarHBondContact O-CA 3.18Å; S484-G486 VanDerWaalsContact C-N 3.29Å; S484-G486 PolarHBondContact OG-N 2.87Å
485T98.1Very high96.7Very high61 Ų6144.1 Ų44.137%0.37427%0.272SS..  trans-89.44.1167.564.50000112.9L38 L452L38-T485 HydrophobicContact CD2-CG2 3.87Å; L452-T485 HydrophobicContact CB-CG2 3.98Å; L452-T485 HydrophobicContact CD2-CG2 4.49Å; L452-T485 PolarHBondContact N-OG1 2.88Å; L452-T485 PolarHBondContact O-N 3.41Å; L452-T485 PolarHBondContact O-OG1 3.28Å
486G95.8Very high96.5Very high11 Ų1148.2 Ų48.211%0.11330%0.295CS..SBendtrans-69.8157.7178.300000112.7N42 S484 R488N42-G486 PolarHBondContact ND2-O 2.81Å; S484-G486 VanDerWaalsContact C-N 3.29Å; S484-G486 PolarHBondContact OG-N 2.87Å; G486-R488 VanDerWaalsContact C-N 3.33Å
487S94.8Very high96.5Very high103 Ų10350.9 Ų50.972%0.7230%0.303SS*.SBendtrans-75.2-20.8178.557.10000114
488R96.8Very high96.4Very high71 Ų7150.2 Ų50.227%0.26830%0.301SS..SBendtrans-82.3137.2174-68.7177.368.9-165-2.1109.4N42 G486 D510 L526N42-R488 PolarHBondContact ND2-O 3.27Å; G486-R488 VanDerWaalsContact C-N 3.33Å; R488-D510 IonicContact CZ-OD1 3.61Å; R488-D510 IonicContact CZ-OD2 3.51Å; R488-D510 IonicContact NH1-OD1 2.75Å; R488-D510 PolarHBondContact NH1-OD1 3.25Å; R488-D510 IonicContact NH1-OD2 3.27Å; R488-D510 PolarHBondContact NH1-OD2 2.75Å; R488-D510 IonicContact NH2-OD1 3.53Å; R488-D510 IonicContact NH2-OD2 2.93Å; R488-D510 PolarHBondContact NH2-OD2 3.03Å; R488-L526 HydrophobicContact CB-CB 4.24Å; R488-L526 HydrophobicContact CB-CD2 4.08Å; R488-L526 VanDerWaalsContact CZ-CB 3.48Å
489V97.1Very high96.4Very high70 Ų7048.1 Ų48.142%0.42429%0.291SS..PPolyproline II helixtrans-85.9142.4-172.8178.50000110.1N42 L526 Q527N42-V489 WeakPolarHBondContact OD1-CA 3.4Å; V489-L526 WeakPolarHBondContact O-CA 3.4Å; V489-Q527 HydrophobicContact CB-CG 3.87Å; V489-Q527 VanDerWaalsContact CG1-NE2 3.33Å; V489-Q527 WeakPolarHBondContact O-CG 3.33Å; V489-Q527 PolarHBondContact O-N 2.85Å
490L97.9Very high96.4Very high7 Ų744.6 Ų44.64%0.03728%0.275CS..BIsolated β-bridgetrans-78.6136.1173.2-68.3171000110.3N42 F482 T507 L525 L526N42-L490 WeakPolarHBondContact OD1-CB 3.19Å; N42-L490 PolarHBondContact OD1-N 3.25Å; F482-L490 HydrophobicContact CD1-CD1 4.06Å; F482-L490 HydrophobicContact CD1-CD2 3.96Å; F482-L490 HydrophobicContact CE1-CD1 4.45Å; F482-L490 HydrophobicContact CE1-CD2 3.7Å; F482-L490 HydrophobicContact CG-CD1 4.45Å; F482-L490 VanDerWaalsContact O-CD1 3.25Å; F482-L490 WeakPolarHBondContact O-CD1 3.29Å; L490-T507 HydrophobicContact CD2-CG2 4.05Å; L490-L525 CarbonylContact C-O 3.12Å; L490-L525 WeakPolarHBondContact CA-O 3.39Å; L490-L525 HydrophobicContact CD2-CB 3.9Å; L490-L526 HydrophobicContact CD2-CD2 3.88Å
491K96.5Very high96.5Very high64 Ų6444.6 Ų44.628%0.27828%0.275SS..PPolyproline II helixtrans-72.6131.7173.3-67.2165-165.4155.90109.2S44 A493 L494 S524 L525 L526 Q527S44-K491 WeakPolarHBondContact CB-O 3.18Å; S44-K491 PolarHBondContact OG-O 3.4Å; K491-A493 VanDerWaalsContact C-N 3.3Å; K491-L494 HydrophobicContact CD-CD2 4.44Å; K491-S524 PolarHBondContact NZ-O 2.81Å; K491-S524 VanDerWaalsContact NZ-O 3.09Å; K491-L525 VanDerWaalsContact CG-O 3.3Å; K491-L525 WeakPolarHBondContact CG-O 3.41Å; K491-L525 PolarHBondContact N-O 3.13Å; K491-L526 VanDerWaalsContact CE-O 3.22Å; K491-L526 WeakPolarHBondContact CE-O 3.4Å; K491-L526 PolarHBondContact NZ-O 3.1Å; K491-Q527 HydrophobicContact CG-CB 4.42Å
492A93.2Very high96.5Very high85 Ų8544.4 Ų44.470%0.70227%0.274SS*.SBendtrans-74.2-21.4172.500000113
493A93.9Very high96.5Very high67 Ų6744.4 Ų44.455%0.55427%0.274SS*.  trans-147.9152.8-179.800000111.5K491K491-A493 VanDerWaalsContact C-N 3.3Å
494L94.8Very high96.5Very high17 Ų1744.2 Ų44.29%0.08927%0.273CS..  trans-101.8155.6166.1-65.6168.5000109.6K491 D496 R497 K523 L525K491-L494 HydrophobicContact CD-CD2 4.44Å; L494-D496 VanDerWaalsContact C-N 3.25Å; L494-D496 PolarHBondContact O-N 2.8Å; L494-R497 WeakPolarHBondContact CB-O 3.47Å; L494-R497 PolarHBondContact N-O 2.87Å; L494-K523 HydrophobicContact CD1-CB 3.93Å; L494-K523 HydrophobicContact CD1-CG 4.17Å; L494-K523 HydrophobicContact CD2-CB 3.85Å; L494-K523 HydrophobicContact CD2-CG 4.41Å; L494-L525 HydrophobicContact CD1-CD2 4.04Å; L494-L525 HydrophobicContact CD2-CD2 3.84Å; L494-L525 HydrophobicContact CG-CD2 3.89Å
495P92.7Very high96.5Very high139 Ų13943.9 Ų43.990%0.90327%0.271SS*.SBendtrans-63.3-27.4-175.8-23.834.8000114.9
496D93.6Very high96.5Very high116 Ų11641 Ų4162%0.6225%0.253SS*.SBendtrans-111.5-17.8-169.760.4-38.7000114.1L494L494-D496 VanDerWaalsContact C-N 3.25Å; L494-D496 PolarHBondContact O-N 2.8Å
497R94.9Very high96.6Very high66 Ų6640.4 Ų40.425%0.24925%0.247CC..SBendtrans-163.6172-179.758.4171.8179.381.8-2.8112.4L494 D503L494-R497 WeakPolarHBondContact CB-O 3.47Å; L494-R497 PolarHBondContact N-O 2.87Å; R497-D503 IonicContact CZ-OD1 3.27Å; R497-D503 IonicContact CZ-OD2 2.68Å; R497-D503 IonicContact NH1-OD1 3.71Å; R497-D503 IonicContact NH1-OD2 2.66Å; R497-D503 PolarHBondContact NH1-OD2 3.42Å; R497-D503 IonicContact NH2-OD1 2.93Å; R497-D503 PolarHBondContact NH2-OD1 3.18Å; R497-D503 IonicContact NH2-OD2 3.95Å; R497-D503 PolarHBondContact NH2-OD2 2.67Å
498A95.8Very high96.8Very high35 Ų3535.5 Ų35.529%0.28921%0.213SC..  trans-66.2147.5165.900000111.2E47E47-A498 HydrophobicContact CG-CB 3.81Å
499P98.2Very high96.9Very high6 Ų632.1 Ų32.14%0.03920%0.2CC..  trans-55.9144.5166-23.435.1000111.2L46 E47 D503 L525L46-P499 WeakPolarHBondContact CA-O 3.48Å; L46-P499 HydrophobicContact CD2-CB 3.62Å; E47-P499 PolarHBondContact N-O 3.13Å; P499-D503 WeakPolarHBondContact CA-OD2 3.29Å; P499-L525 HydrophobicContact CB-CD1 3.99Å; P499-L525 HydrophobicContact CB-CD2 3.99Å; P499-L525 HydrophobicContact CG-CD2 4.15Å
500A98.3Very high97Very high1 Ų131.1 Ų31.11%0.00819%0.192CC..BIsolated β-bridgetrans-144170.7-177.100000110.9E47 H52 C502 D503E47-A500 HydrophobicContact CB-CB 4.05Å; E47-A500 WeakPolarHBondContact O-CA 3.3Å; H52-A500 HydrophobicContact CB-CB 4.13Å; A500-C502 PolarHBondContact O-N 3.37Å; A500-D503 PolarHBondContact N-OD2 2.97Å; A500-D503 VanDerWaalsContact O-CB 3.29Å; A500-D503 WeakPolarHBondContact O-CB 3.48Å; A500-D503 PolarHBondContact O-N 3.21Å
501L98.8Very high97Very high0 Ų030.9 Ų30.90%019%0.191CC..G310 helixtrans-52.8-32.7179.9-65.7-174.4000114.3L46 E47 A48 V53 G66 N69 I70 A456 D457 V480 D503 V504L46-L501 HydrophobicContact CB-CD2 4.28Å; L46-L501 HydrophobicContact CD1-CD2 4.01Å; E47-L501 PolarHBondContact O-N 3.38Å; A48-L501 HydrophobicContact CB-CD1 4.02Å; A48-L501 HydrophobicContact CB-CD2 4.39Å; A48-L501 HydrophobicContact CB-CG 4.17Å; V53-L501 HydrophobicContact CG1-CD1 3.74Å; V53-L501 HydrophobicContact CG1-CG 4.3Å; G66-L501 VanDerWaalsContact CA-CD1 3.49Å; N69-L501 HydrophobicContact CB-CB 4.12Å; I70-L501 WeakPolarHBondContact CA-O 3.48Å; I70-L501 HydrophobicContact CD1-CD2 4.22Å; I70-L501 HydrophobicContact CG1-CB 3.95Å; I70-L501 HydrophobicContact CG1-CD1 4.46Å; I70-L501 HydrophobicContact CG1-CD2 4.11Å; I70-L501 HydrophobicContact CG1-CG 4.4Å; A456-L501 VanDerWaalsContact O-CD2 3.22Å; A456-L501 WeakPolarHBondContact O-CD2 3.22Å; D457-L501 VanDerWaalsContact O-CD1 3.32Å; D457-L501 WeakPolarHBondContact O-CD1 3.22Å; V480-L501 HydrophobicContact CG2-CD2 3.8Å; L501-D503 PolarHBondContact O-N 2.87Å; L501-D503 VanDerWaalsContact O-N 3.12Å; L501-V504 WeakPolarHBondContact O-CG2 3.18Å; L501-V504 PolarHBondContact O-N 2.98Å
502C98.4Very high97Very high2 Ų227.9 Ų27.91%0.01418%0.178CC..G310 helixtrans-63.8-12.8176.763.50000114.7G73 V75 A500 P506G73-C502 CarbonylContact C-O 3.58Å; G73-C502 WeakPolarHBondContact CA-O 3.06Å; V75-C502 HydrophobicContact CG2-CB 4.41Å; A500-C502 PolarHBondContact O-N 3.37Å; C502-P506 WeakPolarHBondContact O-CD 3.2Å
503D98.7Very high97.2Very high0 Ų025.1 Ų25.10%016%0.158CC..G310 helixtrans-85.1-12.9179.2-63-44.2000113.2R497 P499 A500 L501 T507 G522 K523 L525R497-D503 IonicContact CZ-OD1 3.27Å; R497-D503 IonicContact CZ-OD2 2.68Å; R497-D503 IonicContact NH1-OD1 3.71Å; R497-D503 IonicContact NH1-OD2 2.66Å; R497-D503 PolarHBondContact NH1-OD2 3.42Å; R497-D503 IonicContact NH2-OD1 2.93Å; R497-D503 PolarHBondContact NH2-OD1 3.18Å; R497-D503 IonicContact NH2-OD2 3.95Å; R497-D503 PolarHBondContact NH2-OD2 2.67Å; P499-D503 WeakPolarHBondContact CA-OD2 3.29Å; A500-D503 PolarHBondContact N-OD2 2.97Å; A500-D503 VanDerWaalsContact O-CB 3.29Å; A500-D503 WeakPolarHBondContact O-CB 3.48Å; A500-D503 PolarHBondContact O-N 3.21Å; L501-D503 PolarHBondContact O-N 2.87Å; L501-D503 VanDerWaalsContact O-N 3.12Å; D503-T507 WeakPolarHBondContact O-CB 3.4Å; D503-T507 PolarHBondContact O-N 2.66Å; D503-T507 VanDerWaalsContact O-N 3.12Å; D503-T507 PolarHBondContact O-OG1 3.02Å; D503-G522 WeakPolarHBondContact OD1-CA 3.35Å; D503-K523 WeakPolarHBondContact CB-O 3.2Å; D503-K523 PolarHBondContact OD1-N 3.45Å; D503-L525 HydrophobicContact CB-CD1 3.98Å; D503-L525 HydrophobicContact CB-CD2 4.23Å; D503-L525 HydrophobicContact CB-CG 3.96Å
504V98.8Very high97.4Very high0 Ų022.4 Ų22.40%013%0.134CC..Hα-helixtrans-65.3-54.8-175.5177.90000111.6L10 L46 I70 T455 F482 L501 T507 V508L10-V504 HydrophobicContact CD1-CG1 3.99Å; L10-V504 HydrophobicContact CD2-CG1 4.05Å; L46-V504 HydrophobicContact CD1-CG2 3.61Å; I70-V504 HydrophobicContact CG1-CG2 4.43Å; I70-V504 HydrophobicContact CG2-CB 3.98Å; I70-V504 HydrophobicContact CG2-CG1 3.8Å; T455-V504 HydrophobicContact CG2-CG2 4.42Å; F482-V504 HydrophobicContact CD2-CG2 4.45Å; F482-V504 HydrophobicContact CE2-CG1 4.13Å; F482-V504 HydrophobicContact CE2-CG2 4.2Å; F482-V504 HydrophobicContact CZ-CG1 4.29Å; F482-V504 HydrophobicContact CZ-CG2 4.35Å; L501-V504 WeakPolarHBondContact O-CG2 3.18Å; L501-V504 PolarHBondContact O-N 2.98Å; V504-T507 WeakPolarHBondContact O-CB 3.4Å; V504-T507 PolarHBondContact O-N 3.5Å; V504-T507 VanDerWaalsContact O-N 3.08Å; V504-V508 HydrophobicContact CG1-CG2 4.28Å; V504-V508 WeakPolarHBondContact O-CG2 3.31Å; V504-V508 PolarHBondContact O-N 3.06Å
505A98.7Very high97.5Very high0 Ų024.9 Ų24.90%015%0.152CC..Hα-helixtrans-59.4-47-178.600000113.9I70 L330 T507 V508 L509 M520I70-A505 WeakPolarHBondContact O-CB 3.32Å; L330-A505 HydrophobicContact CB-CB 3.91Å; L330-A505 HydrophobicContact CD2-CB 3.96Å; L330-A505 HydrophobicContact CG-CB 4.37Å; A505-T507 VanDerWaalsContact C-N 3.28Å; A505-T507 PolarHBondContact O-N 3.43Å; A505-V508 PolarHBondContact O-N 3.49Å; A505-L509 WeakPolarHBondContact O-CG 3.5Å; A505-L509 PolarHBondContact O-N 3Å; A505-M520 HydrophobicContact CB-CE 3.94Å; A505-M520 HydrophobicContact CB-SD 4.13Å
506P98.6Very high97.7Very high0 Ų021.6 Ų21.60%013%0.125CC..Hα-helixtrans-53.9-40.6170.2-31.737.5000114.1C502 L509 D510 I516 M520C502-P506 WeakPolarHBondContact O-CD 3.2Å; P506-L509 PolarHBondContact O-N 3.33Å; P506-D510 WeakPolarHBondContact O-CB 3.31Å; P506-D510 PolarHBondContact O-N 3.17Å; P506-I516 HydrophobicContact CB-CD1 4.09Å; P506-I516 HydrophobicContact CB-CG2 4.33Å; P506-M520 HydrophobicContact CG-CB 4.13Å; P506-M520 HydrophobicContact CG-SD 4.24Å
507T98.7Very high97.9Very high0 Ų016.1 Ų16.10%010%0.097CC..Hα-helixtrans-66.8-42.6177.1-560000111.3M453 F482 L490 D503 V504 A505 D510 Q511 L525 L526M453-T507 HydrophobicContact CE-CG2 3.94Å; M453-T507 HydrophobicContact SD-CG2 4.47Å; F482-T507 HydrophobicContact CE1-CG2 3.75Å; F482-T507 HydrophobicContact CZ-CG2 3.87Å; L490-T507 HydrophobicContact CD2-CG2 4.05Å; D503-T507 WeakPolarHBondContact O-CB 3.4Å; D503-T507 PolarHBondContact O-N 2.66Å; D503-T507 VanDerWaalsContact O-N 3.12Å; D503-T507 PolarHBondContact O-OG1 3.02Å; V504-T507 WeakPolarHBondContact O-CB 3.4Å; V504-T507 PolarHBondContact O-N 3.5Å; V504-T507 VanDerWaalsContact O-N 3.08Å; A505-T507 VanDerWaalsContact C-N 3.28Å; A505-T507 PolarHBondContact O-N 3.43Å; T507-D510 PolarHBondContact O-N 3.29Å; T507-Q511 WeakPolarHBondContact O-CB 3.42Å; T507-Q511 PolarHBondContact O-N 2.68Å; T507-L525 HydrophobicContact CG2-CB 4.44Å; T507-L525 PolarHBondContact OG1-N 2.94Å; T507-L526 HydrophobicContact CG2-CD1 4.24Å; T507-L526 HydrophobicContact CG2-CD2 3.97Å; T507-L526 HydrophobicContact CG2-CG 3.69Å
508V98.7Very high98Very high0 Ų018.5 Ų18.50%012%0.121CC..Hα-helixtrans-59.6-47.5174.9169.50000110.7V8 L330 F407 M453 V504 A505 Q511 M512V8-V508 HydrophobicContact CB-CG1 4.39Å; V8-V508 HydrophobicContact CG1-CG1 4.14Å; V8-V508 HydrophobicContact CG1-CG2 4.35Å; L330-V508 HydrophobicContact CD1-CG1 4.35Å; L330-V508 HydrophobicContact CD2-CB 4.24Å; L330-V508 HydrophobicContact CD2-CG1 4.03Å; F407-V508 HydrophobicContact CD2-CG1 3.94Å; F407-V508 HydrophobicContact CE2-CG1 3.77Å; M453-V508 HydrophobicContact SD-CG2 3.86Å; V504-V508 HydrophobicContact CG1-CG2 4.28Å; V504-V508 WeakPolarHBondContact O-CG2 3.31Å; V504-V508 PolarHBondContact O-N 3.06Å; A505-V508 PolarHBondContact O-N 3.49Å; V508-Q511 WeakPolarHBondContact O-CB 3.39Å; V508-Q511 PolarHBondContact O-N 3.03Å; V508-M512 HydrophobicContact CG1-SD 3.89Å; V508-M512 VanDerWaalsContact O-CG 3.28Å; V508-M512 WeakPolarHBondContact O-CG 3.27Å; V508-M512 PolarHBondContact O-N 3.27Å
509L98.6Very high98.1Very high0 Ų020.5 Ų20.50%012%0.124CC..Hα-helixtrans-62.9-44178.8-68.5178000112.1L330 W333 L334 A505 P506 Q511 M512 G513 L514 I516 M520L330-L509 HydrophobicContact CD1-CD1 4.41Å; L330-L509 HydrophobicContact CD1-CD2 3.55Å; L330-L509 HydrophobicContact CD1-CG 3.81Å; W333-L509 HydrophobicContact CG-CD1 4.5Å; L334-L509 HydrophobicContact CD2-CD2 4.2Å; A505-L509 WeakPolarHBondContact O-CG 3.5Å; A505-L509 PolarHBondContact O-N 3Å; P506-L509 PolarHBondContact O-N 3.33Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 2.73Å; L509-M512 CarbonylContact O-C 3.58Å; L509-M512 PolarHBondContact O-N 3.47Å; L509-G513 PolarHBondContact O-N 3.01Å; L509-L514 HydrophobicContact CB-CB 4.37Å; L509-L514 HydrophobicContact CD2-CB 4.07Å; L509-L514 HydrophobicContact CD2-CD1 3.88Å; L509-L514 PolarHBondContact O-N 2.86Å; L509-I516 HydrophobicContact CB-CG1 4.07Å; L509-I516 HydrophobicContact CD1-CG1 4.44Å; L509-M520 HydrophobicContact CD1-CE 3.98Å; L509-M520 HydrophobicContact CD1-SD 3.6Å
510D98Very high98.1Very high48 Ų4820.7 Ų20.726%0.25712%0.124SC..Hα-helixtrans-62.1-41176.1-173.212.2000111.6R488 P506 T507 M512 G513 S524 L526R488-D510 IonicContact CZ-OD1 3.61Å; R488-D510 IonicContact CZ-OD2 3.51Å; R488-D510 IonicContact NH1-OD1 2.75Å; R488-D510 PolarHBondContact NH1-OD1 3.25Å; R488-D510 IonicContact NH1-OD2 3.27Å; R488-D510 PolarHBondContact NH1-OD2 2.75Å; R488-D510 IonicContact NH2-OD1 3.53Å; R488-D510 IonicContact NH2-OD2 2.93Å; R488-D510 PolarHBondContact NH2-OD2 3.03Å; P506-D510 WeakPolarHBondContact O-CB 3.31Å; P506-D510 PolarHBondContact O-N 3.17Å; T507-D510 PolarHBondContact O-N 3.29Å; D510-M512 VanDerWaalsContact C-N 3.34Å; D510-M512 PolarHBondContact O-N 3.14Å; D510-G513 PolarHBondContact O-N 2.94Å; D510-S524 WeakPolarHBondContact CB-OG 3.34Å; D510-S524 VanDerWaalsContact OD2-CB 3.31Å; D510-S524 WeakPolarHBondContact OD2-CB 3.48Å; D510-S524 PolarHBondContact OD2-OG 3.05Å; D510-L526 HydrophobicContact CB-CD1 4.24Å
511Q98.1Very high98Very high3 Ų324.8 Ų24.81%0.01415%0.149CC..Hα-helixtrans-60.9-42.5174.1-172.760.764.400112.3V8 V451 M453 T507 V508 L509 G513 L526V8-Q511 HydrophobicContact CG2-CB 3.99Å; V8-Q511 HydrophobicContact CG2-CG 3.67Å; V451-Q511 HydrophobicContact CB-CG 4.06Å; V451-Q511 HydrophobicContact CG1-CG 3.98Å; V451-Q511 HydrophobicContact CG2-CG 4.14Å; M453-Q511 HydrophobicContact CE-CB 3.65Å; M453-Q511 HydrophobicContact CE-CG 3.77Å; T507-Q511 WeakPolarHBondContact O-CB 3.42Å; T507-Q511 PolarHBondContact O-N 2.68Å; V508-Q511 WeakPolarHBondContact O-CB 3.39Å; V508-Q511 PolarHBondContact O-N 3.03Å; L509-Q511 VanDerWaalsContact C-N 3.34Å; L509-Q511 PolarHBondContact O-N 2.73Å; Q511-G513 PolarHBondContact O-N 3.07Å; Q511-L526 HydrophobicContact CB-CD1 3.86Å
512M98.1Very high98Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-72.3-9.2177.6-66.4177.276.600112.7V4 K5 Q6 V8 L334 L339 P406 F407 V508 L509 D510 L514V4-M512 HydrophobicContact CG1-CB 4.33Å; V4-M512 HydrophobicContact CG1-CE 4.09Å; V4-M512 HydrophobicContact CG2-CE 4.41Å; K5-M512 PolarHBondContact N-O 3.11Å; Q6-M512 WeakPolarHBondContact O-CA 3.22Å; V8-M512 HydrophobicContact CB-CG 4.2Å; V8-M512 HydrophobicContact CB-SD 4.47Å; V8-M512 HydrophobicContact CG2-CG 3.59Å; V8-M512 HydrophobicContact CG2-SD 4.46Å; L334-M512 HydrophobicContact CD2-CE 3.87Å; L334-M512 HydrophobicContact CD2-SD 4.03Å; L339-M512 HydrophobicContact CD1-CE 4.36Å; P406-M512 HydrophobicContact CB-CE 4.04Å; F407-M512 HydrophobicContact CB-CE 4.07Å; F407-M512 HydrophobicContact CB-SD 4.36Å; F407-M512 HydrophobicContact CD2-SD 4.42Å; V508-M512 HydrophobicContact CG1-SD 3.89Å; V508-M512 VanDerWaalsContact O-CG 3.28Å; V508-M512 WeakPolarHBondContact O-CG 3.27Å; V508-M512 PolarHBondContact O-N 3.27Å; L509-M512 CarbonylContact O-C 3.58Å; L509-M512 PolarHBondContact O-N 3.47Å; D510-M512 VanDerWaalsContact C-N 3.34Å; D510-M512 PolarHBondContact O-N 3.14Å; M512-L514 VanDerWaalsContact C-N 3.32Å; M512-L514 HydrophobicContact CB-CD1 3.82Å; M512-L514 HydrophobicContact CB-CG 3.78Å; M512-L514 HydrophobicContact CE-CD1 3.94Å; M512-L514 HydrophobicContact SD-CD1 4.07Å
513G97Very high97.9Very high28 Ų2829.9 Ų29.929%0.28917%0.172SC..THydrogen-bonded Turntrans72.525.3-175.300000113.4L509 D510 Q511L509-G513 PolarHBondContact O-N 3.01Å; D510-G513 PolarHBondContact O-N 2.94Å; Q511-G513 PolarHBondContact O-N 3.07Å
514L97.4Very high97.9Very high9 Ų930.6 Ų30.65%0.04718%0.177CC..PPolyproline II helixtrans-96.3150.9-178.5-61177.6000111V2 L334 L339 L509 M512V2-L514 HydrophobicContact CB-CD2 4.32Å; V2-L514 HydrophobicContact CG1-CD2 3.34Å; L334-L514 HydrophobicContact CD2-CD1 3.64Å; L339-L514 HydrophobicContact CD1-CD1 3.61Å; L339-L514 HydrophobicContact CD1-CD2 4.1Å; L509-L514 HydrophobicContact CB-CB 4.37Å; L509-L514 HydrophobicContact CD2-CB 4.07Å; L509-L514 HydrophobicContact CD2-CD1 3.88Å; L509-L514 PolarHBondContact O-N 2.86Å; M512-L514 VanDerWaalsContact C-N 3.32Å; M512-L514 HydrophobicContact CB-CD1 3.82Å; M512-L514 HydrophobicContact CB-CG 3.78Å; M512-L514 HydrophobicContact CE-CD1 3.94Å; M512-L514 HydrophobicContact SD-CD1 4.07Å
515P96.6Very high97.9Very high70 Ų7030.6 Ų30.646%0.45518%0.177SC..PPolyproline II helixtrans-64144.6172.727.6-34.3000110.7W333W333-P515 HydrophobicContact CZ2-CB 4.46Å; W333-P515 HydrophobicContact CZ2-CG 4.04Å; W333-P515 PolarHBondContact NE1-O 2.85Å
516I98Very high97.8Very high69 Ų6930.7 Ų30.735%0.35418%0.178SC..PPolyproline II helixtrans-93.4124.6174-58.5168.8000107.9P506 L509 M520P506-I516 HydrophobicContact CB-CD1 4.09Å; P506-I516 HydrophobicContact CB-CG2 4.33Å; L509-I516 HydrophobicContact CB-CG1 4.07Å; L509-I516 HydrophobicContact CD1-CG1 4.44Å; I516-M520 HydrophobicContact CG2-CB 3.85Å; I516-M520 HydrophobicContact CG2-SD 4.27Å
517P97.5Very high97.5Very high2 Ų238 Ų381%0.01321%0.212CC..PPolyproline II helixtrans-69.6149.4179.628.7-33.3000111.3N328 W333 E519 M520N328-P517 HydrophobicContact CB-CB 3.82Å; N328-P517 HydrophobicContact CB-CG 3.88Å; W333-P517 HydrophobicContact CD2-CB 3.97Å; W333-P517 HydrophobicContact CD2-CG 3.83Å; W333-P517 HydrophobicContact CE3-CB 3.84Å; W333-P517 HydrophobicContact CE3-CG 4.11Å; W333-P517 HydrophobicContact CG-CG 4.08Å; W333-P517 HydrophobicContact CH2-CB 3.9Å; W333-P517 HydrophobicContact CZ2-CB 4Å; W333-P517 HydrophobicContact CZ2-CG 4.48Å; W333-P517 HydrophobicContact CZ3-CB 3.82Å; P517-E519 PolarHBondContact O-N 2.85Å; P517-M520 HydrophobicContact CG-CB 4.34Å; P517-M520 HydrophobicContact CG-CE 4.17Å; P517-M520 HydrophobicContact CG-CG 3.83Å; P517-M520 HydrophobicContact CG-SD 3.89Å; P517-M520 PolarHBondContact O-N 2.94Å
518P97.2Very high97.5Very high116 Ų11639.9 Ų39.975%0.75322%0.223SC*.THydrogen-bonded Turntrans-63.7-23.6-175.125.7-34.4000113.9M520P518-M520 VanDerWaalsContact C-N 3.27Å; P518-M520 PolarHBondContact O-N 2.8Å
519E97.1Very high97.4Very high77 Ų7742 Ų4236%0.3623%0.234SC..THydrogen-bonded Turntrans-67.4-27.6175.1-64.682.3174.600112.2R74 N328 P517 T521R74-E519 WeakPolarHBondContact CD-O 3.49Å; N328-E519 PolarHBondContact ND2-OE1 3.17Å; N328-E519 PolarHBondContact ND2-OE2 3.22Å; P517-E519 PolarHBondContact O-N 2.85Å; E519-T521 PolarHBondContact O-N 2.56Å; E519-T521 VanDerWaalsContact O-N 3.12Å
520M97.9Very high97.4Very high9 Ų944.3 Ų44.34%0.04425%0.247CC..  trans-75.897.5173.8-73.3-174.9-177.400110.1G73 N328 L330 A505 P506 L509 I516 P517 P518G73-M520 CarbonylContact O-C 3.27Å; G73-M520 VanDerWaalsContact O-CA 3.27Å; G73-M520 WeakPolarHBondContact O-CA 3.5Å; N328-M520 WeakPolarHBondContact O-CE 3.35Å; L330-M520 HydrophobicContact CB-CE 4.16Å; A505-M520 HydrophobicContact CB-CE 3.94Å; A505-M520 HydrophobicContact CB-SD 4.13Å; P506-M520 HydrophobicContact CG-CB 4.13Å; P506-M520 HydrophobicContact CG-SD 4.24Å; L509-M520 HydrophobicContact CD1-CE 3.98Å; L509-M520 HydrophobicContact CD1-SD 3.6Å; I516-M520 HydrophobicContact CG2-CB 3.85Å; I516-M520 HydrophobicContact CG2-SD 4.27Å; P517-M520 HydrophobicContact CG-CB 4.34Å; P517-M520 HydrophobicContact CG-CE 4.17Å; P517-M520 HydrophobicContact CG-CG 3.83Å; P517-M520 HydrophobicContact CG-SD 3.89Å; P517-M520 PolarHBondContact O-N 2.94Å; P518-M520 VanDerWaalsContact C-N 3.27Å; P518-M520 PolarHBondContact O-N 2.8Å
521T97.1Very high97.3Very high88 Ų8844.1 Ų44.154%0.5425%0.247SC..  trans-84.1-12.8-179.458.70000113.6G73 R74 E519G73-T521 PolarHBondContact O-N 3.23Å; R74-T521 VanDerWaalsContact CB-OG1 3.25Å; R74-T521 WeakPolarHBondContact CB-OG1 3.41Å; E519-T521 PolarHBondContact O-N 2.56Å; E519-T521 VanDerWaalsContact O-N 3.12Å
522G98Very high97.3Very high4 Ų446.7 Ų46.74%0.04126%0.261CS..SBendtrans-58.3165.8165.800000112.2G73 D503G73-G522 PolarHBondContact O-N 3.1Å; D503-G522 WeakPolarHBondContact OD1-CA 3.35Å
523K97.9Very high97.2Very high104 Ų10449.8 Ų49.845%0.45228%0.279SS..  trans-120.4139.6-175.6-57-59.2175.8-165.40109.9L494 D503 L525L494-K523 HydrophobicContact CD1-CB 3.93Å; L494-K523 HydrophobicContact CD1-CG 4.17Å; L494-K523 HydrophobicContact CD2-CB 3.85Å; L494-K523 HydrophobicContact CD2-CG 4.41Å; D503-K523 WeakPolarHBondContact CB-O 3.2Å; D503-K523 PolarHBondContact OD1-N 3.45Å; K523-L525 PolarHBondContact O-N 3.45Å
524S98.1Very high97.2Very high15 Ų1551.4 Ų51.411%0.10528%0.278CS..  trans-61.6126.6167.8174.90000110K491 D510 L526K491-S524 PolarHBondContact NZ-O 2.81Å; K491-S524 VanDerWaalsContact NZ-O 3.09Å; D510-S524 WeakPolarHBondContact CB-OG 3.34Å; D510-S524 VanDerWaalsContact OD2-CB 3.31Å; D510-S524 WeakPolarHBondContact OD2-CB 3.48Å; D510-S524 PolarHBondContact OD2-OG 3.05Å; S524-L526 VanDerWaalsContact C-N 3.25Å; S524-L526 PolarHBondContact OG-N 2.77Å
525L98.4Very high97.2Very high0 Ų054.6 Ų54.60%030%0.296CS..  trans-82.5-2.3175.6-60.1178.4000112.2L46 F482 L490 K491 L494 P499 D503 T507 K523L46-L525 HydrophobicContact CD2-CD1 3.71Å; F482-L525 HydrophobicContact CD1-CD1 3.68Å; F482-L525 HydrophobicContact CE1-CD1 3.9Å; L490-L525 CarbonylContact C-O 3.12Å; L490-L525 WeakPolarHBondContact CA-O 3.39Å; L490-L525 HydrophobicContact CD2-CB 3.9Å; K491-L525 VanDerWaalsContact CG-O 3.3Å; K491-L525 WeakPolarHBondContact CG-O 3.41Å; K491-L525 PolarHBondContact N-O 3.13Å; L494-L525 HydrophobicContact CD1-CD2 4.04Å; L494-L525 HydrophobicContact CD2-CD2 3.84Å; L494-L525 HydrophobicContact CG-CD2 3.89Å; P499-L525 HydrophobicContact CB-CD1 3.99Å; P499-L525 HydrophobicContact CB-CD2 3.99Å; P499-L525 HydrophobicContact CG-CD2 4.15Å; D503-L525 HydrophobicContact CB-CD1 3.98Å; D503-L525 HydrophobicContact CB-CD2 4.23Å; D503-L525 HydrophobicContact CB-CG 3.96Å; T507-L525 HydrophobicContact CG2-CB 4.44Å; T507-L525 PolarHBondContact OG1-N 2.94Å; K523-L525 PolarHBondContact O-N 3.45Å
526L97.4Very high97.3Very high3 Ų353.3 Ų53.32%0.01628%0.283CS..BIsolated β-bridgetrans-77.3141.6178.4-57.8174.8000111.9M453 R488 V489 L490 K491 T507 D510 Q511 S524M453-L526 HydrophobicContact CE-CD2 4.47Å; R488-L526 HydrophobicContact CB-CB 4.24Å; R488-L526 HydrophobicContact CB-CD2 4.08Å; R488-L526 VanDerWaalsContact CZ-CB 3.48Å; V489-L526 WeakPolarHBondContact O-CA 3.4Å; L490-L526 HydrophobicContact CD2-CD2 3.88Å; K491-L526 VanDerWaalsContact CE-O 3.22Å; K491-L526 WeakPolarHBondContact CE-O 3.4Å; K491-L526 PolarHBondContact NZ-O 3.1Å; T507-L526 HydrophobicContact CG2-CD1 4.24Å; T507-L526 HydrophobicContact CG2-CD2 3.97Å; T507-L526 HydrophobicContact CG2-CG 3.69Å; D510-L526 HydrophobicContact CB-CD1 4.24Å; Q511-L526 HydrophobicContact CB-CD1 3.86Å; S524-L526 VanDerWaalsContact C-N 3.25Å; S524-L526 PolarHBondContact OG-N 2.77Å
527Q92.8Very high97.2Very high153 Ų15351.9 Ų51.972%0.71528%0.276SS*.  trans-114.90169.472-164.47.500112.2V489 K491V489-Q527 HydrophobicContact CB-CG 3.87Å; V489-Q527 VanDerWaalsContact CG1-NE2 3.33Å; V489-Q527 WeakPolarHBondContact O-CG 3.33Å; V489-Q527 PolarHBondContact O-N 2.85Å; K491-Q527 HydrophobicContact CG-CB 4.42Å

Retrieved 527 of 527 residues in 574.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).